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BespokeFit followup workshop 2022
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.gitignore
# Local conda environment
env*/
# Python and Jupyter stuff
__pycache__
.ipynb_checkpoints
# Notebook outputs
workflow-factory.yaml
bespoke-executor/
bespoke-tmp/
ligands.sdf
ligands.yml
openff-2.0.0_bespoke_cat13a.*
CAT-13a_results.json
trajectory.dcd
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README.md

OpenFF BespokeFit Workshop

Binder

Installation

This notebook is distributed with a Conda environment file. To install the dependencies to a temporary environment and run Jupyter from within this environment:

conda env create --prefix ./env-bespoke --file environment.yml
conda activate ./env-bespoke
mamba env create --prefix ./env-toolkit --file env-toolkit.yml
jupyter lab bespokefit.ipynb

If environment.yml fails to solve, or the notebook doesn't run, the exact environment used to develop the notebook can be found in environment-solved.yml, though this may not work on all systems (especially those that do not use Linux).

The environment includes OpenEye for faster charge generation, but the notebook runs fine without it if you don't have access to a license.

Further reading

For more information, check out our docs at https://docs.openforcefield.org or contact support@openforcefield.org.

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cat13a_ff_pretrained.offxml
<?xml version="1.0" encoding="utf-8"?>
<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
<Author>The Open Force Field Initiative</Author>
<Date>2021-08-16</Date>
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<Angle smirks="[*:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]" angle="114.8414599994 * degree" k="98.03198005443 * mole**-1 * radian**-2 * kilocalorie" id="a18"></Angle>
<Angle smirks="[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]" angle="110.92021963 * degree" k="189.0602485815 * mole**-1 * radian**-2 * kilocalorie" id="a19"></Angle>
<Angle smirks="[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]" angle="117.3465570514 * degree" k="110.8436430155 * mole**-1 * radian**-2 * kilocalorie" id="a20"></Angle>
<Angle smirks="[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]" angle="115.5071327674 * degree" k="126.8884519083 * mole**-1 * radian**-2 * kilocalorie" id="a21"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[*:3]" angle="112.8714009681 * degree" k="110.1576509603 * mole**-1 * radian**-2 * kilocalorie" id="a22"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1])" angle="143.6970925548 * degree" k="93.68028952504 * mole**-1 * radian**-2 * kilocalorie" id="a23"></Angle>
<Angle smirks="[#1:1]-[#7X2+0:2]~[*:3]" angle="118.5098497942 * degree" k="121.1873886539 * mole**-1 * radian**-2 * kilocalorie" id="a24"></Angle>
<Angle smirks="[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]" angle="142.3689202335 * degree" k="215.6817758299 * mole**-1 * radian**-2 * kilocalorie" id="a25"></Angle>
<Angle smirks="[#8X1:1]~[#7X3:2]~[#8X1:3]" angle="147.5178960933 * degree" k="241.8058867367 * mole**-1 * radian**-2 * kilocalorie" id="a26"></Angle>
<Angle smirks="[*:1]~[#7X2:2]~[#7X1:3]" angle="180.0 * degree" k="123.5328784763 * mole**-1 * radian**-2 * kilocalorie" id="a27"></Angle>
<Angle smirks="[*:1]-[#8:2]-[*:3]" angle="110.3538806181 * degree" k="130.181232192 * mole**-1 * radian**-2 * kilocalorie" id="a28"></Angle>
<Angle smirks="[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]" angle="112.4630193006 * degree" k="158.3790844474 * mole**-1 * radian**-2 * kilocalorie" id="a29"></Angle>
<Angle smirks="[*:1]-[#8X2+1:2]=[*:3]" angle="115.0964372837 * degree" k="71.2688479385 * mole**-1 * radian**-2 * kilocalorie" id="a30"></Angle>
<Angle smirks="[*:1]~[#16X4:2]~[*:3]" angle="103.2345940609 * degree" k="177.0987742377 * mole**-1 * radian**-2 * kilocalorie" id="a31"></Angle>
<Angle smirks="[*:1]-[#16X4,#16X3+0:2]-[*:3]" angle="97.01381689702 * degree" k="164.8317290445 * mole**-1 * radian**-2 * kilocalorie" id="a32"></Angle>
<Angle smirks="[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]" angle="102.2302010748 * degree" k="224.3127020619 * mole**-1 * radian**-2 * kilocalorie" id="a33"></Angle>
<Angle smirks="[*:1]~[#16X2,#16X3+1:2]~[*:3]" angle="100.1560062343 * degree" k="84.56342383321 * mole**-1 * radian**-2 * kilocalorie" id="a34"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[*:3]" angle="180.0 * degree" k="140.0 * mole**-1 * radian**-2 * kilocalorie" id="a35"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[#8:3]" angle="115.1135476736 * degree" k="140.6866437418 * mole**-1 * radian**-2 * kilocalorie" id="a36"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X3:3]" angle="99.48379054672 * degree" k="139.3977931709 * mole**-1 * radian**-2 * kilocalorie" id="a37"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X4:3]" angle="96.82091843835 * degree" k="88.11084435674 * mole**-1 * radian**-2 * kilocalorie" id="a38"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#1:3]" angle="96.35646036688 * degree" k="123.6767085425 * mole**-1 * radian**-2 * kilocalorie" id="a39"></Angle>
<Angle smirks="[*:1]~[#15:2]~[*:3]" angle="157.3793185985 * degree" k="129.7472153764 * mole**-1 * radian**-2 * kilocalorie" id="a40"></Angle>
</Angles>
<ProperTorsions version="0.4" potential="k*(1+cos(periodicity*theta-phase))" default_idivf="auto" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
<Proper smirks="[*:1]-[#6X4:2]-[#6X4:3]-[*:4]" periodicity1="3" phase1="0.0 * degree" id="t1" k1="0.1155372516788 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t2" k1="0.09223874044423 * mole**-1 * kilocalorie" k2="0.3159935921949 * mole**-1 * kilocalorie" k3="0.3247796806857 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]" periodicity1="3" phase1="0.0 * degree" id="t3" k1="0.1911926717192 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]" periodicity1="3" phase1="0.0 * degree" id="t4" k1="0.1040663847541 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="0.0 * degree" id="t5" k1="-0.0309670556842 * mole**-1 * kilocalorie" k2="0.4598191477945 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t6" k1="0.0216461108787 * mole**-1 * kilocalorie" k2="-0.1754149451998 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t7" k1="0.3012975227259 * mole**-1 * kilocalorie" k2="-0.5331995755095 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t8" k1="0.08605949279655 * mole**-1 * kilocalorie" k2="-0.1562508078431 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t9" k1="0.1115525666802 * mole**-1 * kilocalorie" k2="0.3432490222662 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t10" k1="0.1001384403048 * mole**-1 * kilocalorie" k2="0.3352313439884 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t11" k1="0.1590599459855 * mole**-1 * kilocalorie" k2="0.2952377935924 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t12" k1="0.2206379367259 * mole**-1 * kilocalorie" k2="0.7782897573814 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]" periodicity1="1" phase1="0.0 * degree" id="t13" k1="0.07316576843278 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" phase1="0.0 * degree" id="t14" k1="0.4866637393634 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]" periodicity1="2" phase1="0.0 * degree" id="t15" k1="-1.254172436801 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t16" k1="3.656359841852 * mole**-1 * kilocalorie" k2="3.357036752304 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]~[#6X3:2]-[#6X4:3]-[*:4]" periodicity1="3" phase1="0.0 * degree" id="t17" k1="0.02664938770063 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X3:3]=[*:4]" periodicity1="2" phase1="0.0 * degree" id="t18" k1="-0.3703352413219 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4]" periodicity1="1" periodicity2="2" periodicity3="3" phase1="0.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t19" k1="0.4541676554336 * mole**-1 * kilocalorie" k2="0.1489710476446 * mole**-1 * kilocalorie" k3="0.02960027280666 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t20" k1="0.2962286176719 * mole**-1 * kilocalorie" k2="0.007435022645929 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="180.0 * degree" id="t21" k1="-0.0367272859644 * mole**-1 * kilocalorie" k2="0.1713217180757 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="1" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t22" k1="-0.3719741080736 * mole**-1 * kilocalorie" k2="0.4022131647699 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="4" periodicity2="2" phase1="0.0 * degree" phase2="0.0 * degree" id="t23" k1="-0.04561822763521 * mole**-1 * kilocalorie" k2="0.1536091026885 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t24" k1="-0.1206922505076 * mole**-1 * kilocalorie" k2="-0.446401878446 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" phase4="270.0 * degree" phase5="90.0 * degree" id="t25" k1="0.1024566756215 * mole**-1 * kilocalorie" k2="0.1025622546566 * mole**-1 * kilocalorie" k3="-0.7270841288504 * mole**-1 * kilocalorie" k4="0.2720289395625 * mole**-1 * kilocalorie" k5="0.4515189222906 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" periodicity6="1" phase1="270.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" phase4="270.0 * degree" phase5="270.0 * degree" phase6="0.0 * degree" id="t26" k1="0.3613352840084 * mole**-1 * kilocalorie" k2="0.7094107693902 * mole**-1 * kilocalorie" k3="0.2966149422494 * mole**-1 * kilocalorie" k4="0.3825271697743 * mole**-1 * kilocalorie" k5="0.01001366302186 * mole**-1 * kilocalorie" k6="-0.05061714024213 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0" idivf6="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4]" periodicity1="1" phase1="0.0 * degree" id="t27" k1="0.1334362229554 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t28" k1="0.1348425812651 * mole**-1 * kilocalorie" k2="0.7975377249253 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t29" k1="-0.03592861172092 * mole**-1 * kilocalorie" k2="-0.1538045349179 * mole**-1 * kilocalorie" k3="0.4011515948585 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4]" periodicity1="2" periodicity2="1" periodicity3="3" phase1="0.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t30" k1="1.495885436174 * mole**-1 * kilocalorie" k2="0.798323214025 * mole**-1 * kilocalorie" k3="0.1035170238981 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4]" periodicity1="2" periodicity2="1" periodicity3="3" phase1="180.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t31" k1="2.666511297336 * mole**-1 * kilocalorie" k2="-0.5524119675123 * mole**-1 * kilocalorie" k3="0.3222445444039 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="2" phase1="180.0 * degree" id="t32" k1="0.5514123658768 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t33" k1="0.1958321769116 * mole**-1 * kilocalorie" k2="0.1539532052563 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t34" k1="0.05376135405254 * mole**-1 * kilocalorie" k2="-1.041787269158 * mole**-1 * kilocalorie" k3="1.379989337607 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t35" k1="0.06761683567925 * mole**-1 * kilocalorie" k2="0.6235675861501 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t36" k1="-0.09536809420051 * mole**-1 * kilocalorie" k2="0.2800892958044 * mole**-1 * kilocalorie" k3="0.4668895256148 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4]" periodicity1="1" phase1="180.0 * degree" id="t37" k1="0.287162408587 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4]" periodicity1="1" phase1="0.0 * degree" id="t38" k1="0.7631330263272 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#7X2;r6:4]" periodicity1="2" periodicity2="1" periodicity3="3" phase1="180.0 * degree" phase2="180.0 * degree" phase3="0.0 * degree" id="t39" k1="2.5687843867 * mole**-1 * kilocalorie" k2="-0.2875958814853 * mole**-1 * kilocalorie" k3="1.146857190631 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#7X2:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t40" k1="-0.7197846859828 * mole**-1 * kilocalorie" k2="1.673529609226 * mole**-1 * kilocalorie" k3="-0.04553753698948 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#8X2:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t41" k1="-0.362750415327 * mole**-1 * kilocalorie" k2="1.573360869432 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]=[#8X1:4]" periodicity1="2" phase1="320.0 * degree" id="t42" k1="-0.9462835417251 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[#6X3:2]-[#6X3:3]~[*:4]" periodicity1="2" phase1="180.0 * degree" id="t43" k1="1.163235555439 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[#6X3:2]:[#6X3:3]~[*:4]" periodicity1="2" phase1="180.0 * degree" id="t44" k1="3.661930099076 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#6]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="180.0 * degree" id="t53" k1="0.5278465826043 * mole**-1 * kilocalorie" k2="-0.1662288208747 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="180.0 * degree" id="t55" k1="-0.03575171602965 * mole**-1 * kilocalorie" k2="-0.01153280151005 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]" periodicity1="2" phase1="180.0 * degree" id="t56" k1="1.625096941834 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):3]-[*:4]" periodicity1="2" phase1="180.0 * degree" id="t57" k1="1.936185237591 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" periodicity1="1" phase1="0.0 * degree" id="t59" k1="0.8981268838891 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="1" phase1="0.0 * degree" id="t60" k1="1.040038586006 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[*:4]" periodicity1="3" phase1="0.0 * degree" id="t61" k1="0.4347936008897 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[!#1:1]-[#7X4,#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" phase1="0.0 * degree" id="t62" k1="1.175611586196 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#7X4:2]-[#6X3:3]~[*:4]" periodicity1="1" phase1="0.0 * degree" id="t63" k1="-0.0002040122493537 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]=[#8,#16,#7]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="1" phase1="180.0 * degree" phase2="180.0 * degree" phase3="0.0 * degree" phase4="0.0 * degree" id="t67" k1="-0.1488678166443 * mole**-1 * kilocalorie" k2="-0.1230328948768 * mole**-1 * kilocalorie" k3="0.2939295466901 * mole**-1 * kilocalorie" k4="-0.3024127022865 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0"></Proper>
<Proper smirks="[#8X2H0:1]-[#6X4:2]-[#7X3:3]-[#6X3:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t68" k1="0.5245816161321 * mole**-1 * kilocalorie" k2="1.961130838442 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#7X3:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" id="t69" k1="0.90529507346 * mole**-1 * kilocalorie" k2="-0.9653872514153 * mole**-1 * kilocalorie" k3="-0.8061406623675 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
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<Proper smirks="[*:1]~[#7X3,#7X2-1:2]-[#6X3:3]~[*:4]" periodicity1="2" phase1="180.0 * degree" id="t73" k1="0.7014837069308 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[#7X3,#7X2-1:2]-!@[#6X3:3]~[*:4]" periodicity1="2" phase1="180.0 * degree" id="t74" k1="1.193093382682 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#1:1]-[#7X3:2]-[#6X3:3]=[#8,#16,#7:4]" periodicity1="2" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t76" k1="0.4860993122944 * mole**-1 * kilocalorie" k2="0.8916986138746 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]" periodicity1="2" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t77" k1="3.101948770557 * mole**-1 * kilocalorie" k2="-0.4252153282372 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#6,#1]" periodicity1="2" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t78" k1="2.348375642009 * mole**-1 * kilocalorie" k2="1.256156174911 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]-[#7X3:2]-!@[#6X3:3](=[#8,#16,#7:4])-[#7X3]" periodicity1="2" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t79" k1="1.078186318198 * mole**-1 * kilocalorie" k2="0.0 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#1:1]-[#8X2:2]-[#6X4;r3:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" id="t103" k1="0.3357947754701 * mole**-1 * kilocalorie" k2="0.1145990005576 * mole**-1 * kilocalorie" k3="0.6562847506201 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#1:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" id="t132" k1="0.774151252041 * mole**-1 * kilocalorie" k2="1.087509576657 * mole**-1 * kilocalorie" k3="1.518874939494 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" id="t133" k1="0.6761465733405 * mole**-1 * kilocalorie" k2="1.653011589151 * mole**-1 * kilocalorie" k3="1.713184811193 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
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<Proper smirks="[*:1]@[#7X2:2]@[#7X2:3]@[#7X2,#6X3:4]" periodicity1="1" phase1="180.0 * degree" id="t137" k1="0.2324481901172 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[*:1]=[#7X2:2]-[#7X2:3]=[*:4]" periodicity1="2" phase1="180.0 * degree" id="t139" k1="2.256547498569 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#6X4:4]" periodicity1="1" periodicity2="3" phase1="0.0 * degree" phase2="0.0 * degree" id="t146" k1="1.254587479901 * mole**-1 * kilocalorie" k2="-0.05900585707361 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#8X1:1]~[#16X4,#16X3+0:2]-[#7X4,#7X3:3]-[#1:4]" periodicity1="1" periodicity2="3" phase1="180.0 * degree" phase2="0.0 * degree" id="t148" k1="-1.525122919981 * mole**-1 * kilocalorie" k2="0.1567277388635 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#16X4,#16X3+0:2]-[#7X3:3]-[#6X3:4]" periodicity1="3" periodicity2="2" phase1="90.0 * degree" phase2="0.0 * degree" id="t151" k1="-0.6373653602282 * mole**-1 * kilocalorie" k2="0.2973949413807 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#8X1:1]~[#16X4,#16X3+0:2]-[#7X3:3]-[#7X2:4]" periodicity1="1" phase1="0.0 * degree" id="t153" k1="0.082636589537 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#8X1:1]~[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]" periodicity1="6" periodicity2="5" periodicity3="4" periodicity4="2" periodicity5="3" periodicity6="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" phase4="180.0 * degree" phase5="180.0 * degree" phase6="0.0 * degree" id="t156" k1="0.635317599106 * mole**-1 * kilocalorie" k2="-0.04078737475445 * mole**-1 * kilocalorie" k3="0.5871078119327 * mole**-1 * kilocalorie" k4="1.001778916402 * mole**-1 * kilocalorie" k5="1.071646616274 * mole**-1 * kilocalorie" k6="1.868726476464 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0" idivf6="1.0"></Proper>
<Proper smirks="[*:1]~[#16X4,#16X3+0:2]-[#8X2:3]-[*:4]" periodicity1="1" phase1="0.0 * degree" id="t157" k1="0.09929852497968 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[*:1]~[#7X3:2]-[#15:3]~[*:4]" periodicity1="2" phase1="180.0 * degree" id="t161" k1="1.779687502605 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#7:2]-[#15:3]=[*:4]" periodicity1="2" periodicity2="3" phase1="180.0 * degree" phase2="0.0 * degree" id="t162" k1="2.485752763766 * mole**-1 * kilocalorie" k2="0.4315257691259 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#7:2]-[#15:3]=[*:4]" periodicity1="1" phase1="0.0 * degree" id="t163" k1="-0.476489155799 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[#7:2]=[#15:3]~[*:4]" periodicity1="3" phase1="0.0 * degree" id="t164" k1="-0.9477893203365 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[*:2]#[*:3]-[*:4]" periodicity1="1" phase1="0.0 * degree" id="t165" k1="0.0 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[*:2]-[*:3]#[*:4]" periodicity1="1" phase1="0.0 * degree" id="t166" k1="0.0 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]~[*:2]=[#6,#7,#16,#15;X2:3]=[*:4]" periodicity1="1" phase1="0.0 * degree" id="t167" k1="0.0 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6H1X3x2r6+0a:1](-;!@[#1H0X1x0!r+0A])(:;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#17H0X1x0!r+0A,#1H0X1x0!r+0A]):;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#17H0X1x0!r+0A,#1H0X1x0!r+0A]):;@[#6H1X3x2r6+0a]-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a:2]-;!@[#6H0X3x2r6+0a:3](:;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X4x2r5+0A]):;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a]-;!@[#1H0X1x0!r+0A,#6H0X4x2r5+0A]):;@[#6H1X3x2r6+0a:4]-;!@[#1H0X1x0!r+0A]" periodicity1="1" periodicity2="2" periodicity3="3" periodicity4="4" phase1="0 * degree" phase2="180 * degree" phase3="0 * degree" phase4="180 * degree" id="t169" k1="1.057286744418e-09 * mole**-1 * kilocalorie" k2="0.8964513244392 * mole**-1 * kilocalorie" k3="4.214607904731e-08 * mole**-1 * kilocalorie" k4="5.187591840841e-07 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0"></Proper>
<Proper smirks="[#6H1X3x2r6+0a:1](-;!@[#1H0X1x0!r+0A])(:;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a]-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a:2]-;!@[#6H0X4x2r5+0A:3](-;@[#6H0X3x2r5+0A](-;@[#7H0X3x2r5+0A](-;@[#6H0X3x2r5+0A,#6H1X3x2r5+0A]-;!@[#1H0X1x0!r+0A,#7H2X3x0!r+0A])-;!@[#6H3X4x0!r+0A](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A])=;!@[#8H0X1x0!r+0A])(-;!@[#6H3X4x0!r+0A](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A])-;@[#7H1X3x2r5+1A:4]-;!@[#1H0X1x0!r+0A]" periodicity1="1" periodicity2="2" periodicity3="3" periodicity4="4" phase1="0 * degree" phase2="180 * degree" phase3="0 * degree" phase4="180 * degree" id="t170" k1="6.357952048774e-08 * mole**-1 * kilocalorie" k2="1.933974354159e-06 * mole**-1 * kilocalorie" k3="0.026649452433 * mole**-1 * kilocalorie" k4="-1.432583871133e-05 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0"></Proper>
<Proper smirks="[#6H1X3x2r6+0a:1](-;!@[#1H0X1x0!r+0A])(:;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a]-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a:2]-;!@[#6H0X4x2r5+0A:3](-;!@[#6H3X4x0!r+0A](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A])(-;@[#7H1X3x2r5+1A](-;!@[#1H0X1x0!r+0A])=;@[#6H0X3x2r5+0A,#6H1X3x2r5+0A](-;!@[#1H0X1x0!r+0A,#7H2X3x0!r+0A])-;@[#7H0X3x2r5+0A]-;!@[#6H3X4x0!r+0A](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A])-;@[#6H0X3x2r5+0A:4]=;!@[#8H0X1x0!r+0A]" periodicity1="1" periodicity2="2" periodicity3="3" periodicity4="4" phase1="0 * degree" phase2="180 * degree" phase3="0 * degree" phase4="180 * degree" id="t171" k1="-8.279757264199e-08 * mole**-1 * kilocalorie" k2="-0.2592089573349 * mole**-1 * kilocalorie" k3="0.02664944090812 * mole**-1 * kilocalorie" k4="-5.868837718383e-06 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0"></Proper>
<Proper smirks="[#6H1X3x2r6+0a:1](-;!@[#1H0X1x0!r+0A])(:;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a,#6H1X3x2r6+0a](-;!@[#1H0X1x0!r+0A,#6H0X3x2r6+0a]):;@[#6H1X3x2r6+0a]-;!@[#1H0X1x0!r+0A]):;@[#6H0X3x2r6+0a:2]-;!@[#6H0X4x2r5+0A:3](-;@[#6H0X3x2r5+0A]=;!@[#8H0X1x0!r+0A])(-;@[#7H1X3x2r5+1A](-;!@[#1H0X1x0!r+0A])=;@[#6H0X3x2r5+0A,#6H1X3x2r5+0A](-;!@[#1H0X1x0!r+0A,#7H2X3x0!r+0A])-;@[#7H0X3x2r5+0A]-;!@[#6H3X4x0!r+0A](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A])-;!@[#6H3X4x0!r+0A:4](-;!@[#1H0X1x0!r+0A])(-;!@[#1H0X1x0!r+0A])-;!@[#1H0X1x0!r+0A]" periodicity1="1" periodicity2="2" periodicity3="3" periodicity4="4" phase1="0 * degree" phase2="180 * degree" phase3="0 * degree" phase4="180 * degree" id="t172" k1="3.135040000528e-09 * mole**-1 * kilocalorie" k2="0.07942139362934 * mole**-1 * kilocalorie" k3="0.02664954090723 * mole**-1 * kilocalorie" k4="0.001719706276708 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0"></Proper>
</ProperTorsions>
<ImproperTorsions version="0.3" potential="k*(1+cos(periodicity*theta-phase))" default_idivf="auto">
<Improper smirks="[*:1]~[#6X3:2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i1"></Improper>
<Improper smirks="[*:1]~[#6X3:2](~[#8X1:3])~[#8:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i2"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i3"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.0 * mole**-1 * kilocalorie" id="i4"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i5"></Improper>
<Improper smirks="[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i6"></Improper>
<Improper smirks="[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i7"></Improper>
</ImproperTorsions>
<vdW version="0.3" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom" switch_width="1.0 * angstrom" method="cutoff">
<Atom smirks="[#1:1]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n1" rmin_half="0.6 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]" epsilon="0.01577948280971 * mole**-1 * kilocalorie" id="n2" rmin_half="1.48419980825 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.01640924602775 * mole**-1 * kilocalorie" id="n3" rmin_half="1.449786411317 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n4" rmin_half="1.287 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n5" rmin_half="1.187 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]~[*+1,*+2]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n6" rmin_half="1.1 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3]" epsilon="0.01561134320353 * mole**-1 * kilocalorie" id="n7" rmin_half="1.443812569645 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.01310699839698 * mole**-1 * kilocalorie" id="n8" rmin_half="1.377051329051 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.01479744504464 * mole**-1 * kilocalorie" id="n9" rmin_half="1.370482808197 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X2]" epsilon="0.015 * mole**-1 * kilocalorie" id="n10" rmin_half="1.459 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#7]" epsilon="0.01409081474669 * mole**-1 * kilocalorie" id="n11" rmin_half="0.6192778454102 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#8]" epsilon="1.232599966667e-05 * mole**-1 * kilocalorie" id="n12" rmin_half="0.2999999999997 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#16]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n13" rmin_half="0.6 * angstrom"></Atom>
<Atom smirks="[#6:1]" epsilon="0.0868793154488 * mole**-1 * kilocalorie" id="n14" rmin_half="1.953447017081 * angstrom"></Atom>
<Atom smirks="[#6X2:1]" epsilon="0.21 * mole**-1 * kilocalorie" id="n15" rmin_half="1.908 * angstrom"></Atom>
<Atom smirks="[#6X4:1]" epsilon="0.1088406109251 * mole**-1 * kilocalorie" id="n16" rmin_half="1.896698071741 * angstrom"></Atom>
<Atom smirks="[#8:1]" epsilon="0.2102061007896 * mole**-1 * kilocalorie" id="n17" rmin_half="1.706036917087 * angstrom"></Atom>
<Atom smirks="[#8X2H0+0:1]" epsilon="0.1684651402602 * mole**-1 * kilocalorie" id="n18" rmin_half="1.697783613804 * angstrom"></Atom>
<Atom smirks="[#8X2H1+0:1]" epsilon="0.2094735324129 * mole**-1 * kilocalorie" id="n19" rmin_half="1.682099169199 * angstrom"></Atom>
<Atom smirks="[#7:1]" epsilon="0.1676915150424 * mole**-1 * kilocalorie" id="n20" rmin_half="1.799798315098 * angstrom"></Atom>
<Atom smirks="[#16:1]" epsilon="0.25 * mole**-1 * kilocalorie" id="n21" rmin_half="2.0 * angstrom"></Atom>
<Atom smirks="[#15:1]" epsilon="0.2 * mole**-1 * kilocalorie" id="n22" rmin_half="2.1 * angstrom"></Atom>
<Atom smirks="[#9:1]" epsilon="0.061 * mole**-1 * kilocalorie" id="n23" rmin_half="1.75 * angstrom"></Atom>
<Atom smirks="[#17:1]" epsilon="0.2656001046527 * mole**-1 * kilocalorie" id="n24" rmin_half="1.85628721824 * angstrom"></Atom>
<Atom smirks="[#35:1]" epsilon="0.3218986365974 * mole**-1 * kilocalorie" id="n25" rmin_half="1.969806594135 * angstrom"></Atom>
<Atom smirks="[#53:1]" epsilon="0.4 * mole**-1 * kilocalorie" id="n26" rmin_half="2.35 * angstrom"></Atom>
<Atom smirks="[#3+1:1]" epsilon="0.0279896 * mole**-1 * kilocalorie" id="n27" rmin_half="1.025 * angstrom"></Atom>
<Atom smirks="[#11+1:1]" epsilon="0.0874393 * mole**-1 * kilocalorie" id="n28" rmin_half="1.369 * angstrom"></Atom>
<Atom smirks="[#19+1:1]" epsilon="0.1936829 * mole**-1 * kilocalorie" id="n29" rmin_half="1.705 * angstrom"></Atom>
<Atom smirks="[#37+1:1]" epsilon="0.3278219 * mole**-1 * kilocalorie" id="n30" rmin_half="1.813 * angstrom"></Atom>
<Atom smirks="[#55+1:1]" epsilon="0.4065394 * mole**-1 * kilocalorie" id="n31" rmin_half="1.976 * angstrom"></Atom>
<Atom smirks="[#9X0-1:1]" epsilon="0.003364 * mole**-1 * kilocalorie" id="n32" rmin_half="2.303 * angstrom"></Atom>
<Atom smirks="[#17X0-1:1]" epsilon="0.035591 * mole**-1 * kilocalorie" id="n33" rmin_half="2.513 * angstrom"></Atom>
<Atom smirks="[#35X0-1:1]" epsilon="0.0586554 * mole**-1 * kilocalorie" id="n34" rmin_half="2.608 * angstrom"></Atom>
<Atom smirks="[#53X0-1:1]" epsilon="0.0536816 * mole**-1 * kilocalorie" id="n35" rmin_half="2.86 * angstrom"></Atom>
<Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.1521 * mole**-1 * kilocalorie" id="n-tip3p-O" sigma="3.1507 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0 * mole**-1 * kilocalorie" id="n-tip3p-H" sigma="1 * angstrom"></Atom>
</vdW>
<Electrostatics version="0.3" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom" switch_width="0.0 * angstrom" method="PME"></Electrostatics>
<LibraryCharges version="0.3">
<LibraryCharge smirks="[#3+1:1]" charge1="1.0 * elementary_charge" name="Li+"></LibraryCharge>
<LibraryCharge smirks="[#11+1:1]" charge1="1.0 * elementary_charge" name="Na+"></LibraryCharge>
<LibraryCharge smirks="[#19+1:1]" charge1="1.0 * elementary_charge" name="K+"></LibraryCharge>
<LibraryCharge smirks="[#37+1:1]" charge1="1.0 * elementary_charge" name="Rb+"></LibraryCharge>
<LibraryCharge smirks="[#55+1:1]" charge1="1.0 * elementary_charge" name="Cs+"></LibraryCharge>
<LibraryCharge smirks="[#9X0-1:1]" charge1="-1.0 * elementary_charge" name="F-"></LibraryCharge>
<LibraryCharge smirks="[#17X0-1:1]" charge1="-1.0 * elementary_charge" name="Cl-"></LibraryCharge>
<LibraryCharge smirks="[#35X0-1:1]" charge1="-1.0 * elementary_charge" name="Br-"></LibraryCharge>
<LibraryCharge smirks="[#53X0-1:1]" charge1="-1.0 * elementary_charge" name="I-"></LibraryCharge>
<LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="-0.834 * elementary_charge" id="q-tip3p-O"></LibraryCharge>
<LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0.417 * elementary_charge" id="q-tip3p-H"></LibraryCharge>
</LibraryCharges>
<ToolkitAM1BCC version="0.3"></ToolkitAM1BCC>
</SMIRNOFF>
Raw
env-bespoke.yml
channels:
# - openeye
- conda-forge
dependencies:
# Runtime
- python >= 3.8
- jupyter
- jupyterlab
- nomkl
- nb_conda_kernels
# Package management
- conda
- mamba
- pip
# OpenFF Stack
- openff-bespokefit >= 0.1.2
- openff-interchange
- openff-toolkit
- openff-forcefields
- openff-amber-ff-ports
- openff-units
# Cheminformatics toolkits
# - openeye-toolkits
- rdkit
- ambertools
# MD engines
- openmm >= 7.6
- pdbfixer
# QC engines
- xtb-python
# Utilities
- numpy
- scipy
- nglview
- ipywidgets < 8
Raw
env-toolkit.yml
channels:
# - openeye
- conda-forge
dependencies:
# Runtime
- python >= 3.8
- jupyter
- jupyterlab
- nomkl
- nb_conda_kernels
# Package management
- conda
- mamba
- pip
# OpenFF Stack
- openff-interchange >= 0.2.1
- openff-toolkit >= 0.11.1
- openff-forcefields
- openff-amber-ff-ports
- openff-units
# Cheminformatics toolkits
# - openeye-toolkits
- rdkit
- ambertools
# MD engines
- openmm >= 7.6
- pdbfixer
# QC engines
- xtb-python
# Utilities
- numpy
- scipy
- nglview
- ipywidgets < 8
Raw
environment.yml
channels:
# - openeye
- conda-forge
dependencies:
# Runtime
- python >= 3.8
- jupyter
- jupyterlab
- nomkl
- nb_conda_kernels
# Package management
- conda
- mamba
- pip
# OpenFF Stack
- openff-bespokefit >= 0.1.2
- openff-interchange
- openff-toolkit
- openff-forcefields
- openff-amber-ff-ports
- openff-units
# Cheminformatics toolkits
# - openeye-toolkits
- rdkit
- ambertools
# MD engines
- openmm >= 7.6
- pdbfixer
# QC engines
- xtb-python
# Utilities
- numpy
- scipy
- nglview
- ipywidgets < 8
Raw
lig_CAT-13a.sdf
lig_CAT-13a
RDKit 3D
39 41 0 0 0 0 0 0 0 0999 V2000
13.4100 -2.5300 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3600 -2.5400 0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6400 -2.4100 -1.8000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9600 -2.7100 -0.9300 C 0 0 2 0 0 0 0 0 0 0 0 0
13.0500 -2.4800 0.4700 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2600 -2.4900 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2500 -2.3600 2.6000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6600 -2.3300 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6200 4.0100 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1300 4.6300 1.3400 Cl 0 0 0 0 0 0 0 0 0 0 0 0
15.6100 -1.5800 -1.7500 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4600 -1.8600 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0
16.9900 -0.8400 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6900 0.4800 -3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
15.8600 0.7900 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3100 -0.2500 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8700 4.7400 -1.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9500 2.7700 -0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5700 2.2200 -1.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
14.8200 3.0300 -2.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4600 4.3100 -2.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8700 4.9500 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5700 5.7400 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5100 2.6600 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5700 2.1700 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0
14.6500 -0.0200 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0
17.1000 1.2800 -3.8900 H 0 0 0 0 0 0 0 0 0 0 0 0
16.7200 -2.9000 -3.0300 H 0 0 0 0 0 0 0 0 0 0 0 0
17.6400 -1.0700 -4.4200 H 0 0 0 0 0 0 0 0 0 0 0 0
13.3700 -2.2900 3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1200 -2.3300 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0
11.3300 -1.3100 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6100 -2.5500 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0300 -3.0300 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3300 -3.8900 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9900 -3.9100 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8800 -4.7200 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0
16.4100 -3.9800 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2644 -2.4672 0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 2 0
1 4 1 0
1 5 1 0
2 4 1 0
2 6 2 0
2 39 1 0
4 11 1 0
4 35 1 6
5 8 1 0
5 6 1 0
6 7 1 0
7 30 1 0
7 31 1 0
8 34 1 0
8 32 1 0
8 33 1 0
9 17 2 0
9 18 1 0
9 10 1 0
11 12 2 0
11 16 1 0
12 13 1 0
12 28 1 0
13 29 1 0
13 14 2 0
14 27 1 0
14 15 1 0
15 19 1 0
15 16 2 0
16 26 1 0
17 21 1 0
17 23 1 0
18 19 2 0
18 25 1 0
19 20 1 0
20 24 1 0
20 21 2 0
21 22 1 0
35 36 1 0
35 38 1 0
35 37 1 0
M CHG 1 2 1
M END
> <s_m_entry_id> (1)
13
> <s_m_entry_name> (1)
lig_CAT-13a.1
> <s_m_Source_Path> (1)
C:\Users\dhahn3\Downloads\bace
> <s_m_Source_File> (1)
lig_CAT-13a.sdf
> <i_m_Source_File_Index> (1)
1
$$$$
Raw
postBuild
#!/bin/bash
set -e
mamba env create --prefix env-toolkit --file env-toolkit.yml
Raw
protein.pdb
ATOM 1 N GLY A 1 30.642 11.566 22.780 1.00 0.00 N
ATOM 2 H1 GLY A 1 29.761 12.051 22.681 1.00 0.00 H
ATOM 3 H2 GLY A 1 30.603 10.960 23.587 1.00 0.00 H
ATOM 4 H3 GLY A 1 31.378 12.233 22.899 1.00 0.00
ATOM 5 CA GLY A 1 30.897 10.767 21.582 1.00 0.00 C
ATOM 6 HA1 GLY A 1 30.095 10.040 21.452 1.00 0.00 H
ATOM 7 HA2 GLY A 1 30.939 11.421 20.711 1.00 0.00 H
ATOM 8 C GLY A 1 32.196 9.965 21.567 1.00 0.00 C
ATOM 9 O GLY A 1 33.277 10.523 21.367 1.00 0.00 O
ATOM 10 N SER A 2 32.085 8.637 21.694 1.00 0.00 N
ATOM 11 H SER A 2 31.174 8.213 21.793 1.00 0.00 H
ATOM 12 CA SER A 2 33.269 7.793 21.692 1.00 0.00 C
ATOM 13 HA SER A 2 34.124 8.366 22.052 1.00 0.00 H
ATOM 14 CB SER A 2 33.212 6.762 22.816 1.00 0.00 C
ATOM 15 HB1 SER A 2 32.331 6.133 22.688 1.00 0.00 H
ATOM 16 HB2 SER A 2 34.107 6.141 22.787 1.00 0.00 H
ATOM 17 OG SER A 2 33.138 7.392 24.088 1.00 0.00 O
ATOM 18 HG SER A 2 32.348 7.935 24.131 1.00 0.00 H
ATOM 19 C SER A 2 33.564 7.123 20.367 1.00 0.00 C
ATOM 20 O SER A 2 34.498 6.339 20.329 1.00 0.00 O
ATOM 21 N PHE A 3 32.812 7.426 19.277 1.00 0.00 N
ATOM 22 H PHE A 3 32.055 8.090 19.354 1.00 0.00 H
ATOM 23 CA PHE A 3 33.102 6.780 17.975 1.00 0.00 C
ATOM 24 HA PHE A 3 33.977 6.138 18.074 1.00 0.00 H
ATOM 25 CB PHE A 3 32.028 5.741 17.596 1.00 0.00 C
ATOM 26 HB1 PHE A 3 31.065 6.240 17.477 1.00 0.00 H
ATOM 27 HB2 PHE A 3 32.304 5.258 16.658 1.00 0.00 H
ATOM 28 CG PHE A 3 31.845 4.650 18.628 1.00 0.00 C
ATOM 29 CD1 PHE A 3 31.028 4.848 19.738 1.00 0.00 C
ATOM 30 HD1 PHE A 3 30.496 5.780 19.857 1.00 0.00 H
ATOM 31 CE1 PHE A 3 30.887 3.851 20.707 1.00 0.00 C
ATOM 32 HE1 PHE A 3 30.248 4.015 21.562 1.00 0.00 H
ATOM 33 CZ PHE A 3 31.566 2.654 20.570 1.00 0.00 C
ATOM 34 HZ PHE A 3 31.481 1.894 21.333 1.00 0.00 H
ATOM 35 CE2 PHE A 3 32.350 2.426 19.461 1.00 0.00 C
ATOM 36 HE2 PHE A 3 32.845 1.474 19.333 1.00 0.00 H
ATOM 37 CD2 PHE A 3 32.507 3.428 18.501 1.00 0.00 C
ATOM 38 HD2 PHE A 3 33.150 3.248 17.652 1.00 0.00 H
ATOM 39 C PHE A 3 33.267 7.821 16.882 1.00 0.00 C
ATOM 40 O PHE A 3 32.568 7.787 15.867 1.00 0.00 O
ATOM 41 N VAL A 4 34.194 8.766 17.105 1.00 0.00 N
ATOM 42 H VAL A 4 34.765 8.727 17.938 1.00 0.00 H
ATOM 43 CA VAL A 4 34.441 9.892 16.187 1.00 0.00 C
ATOM 44 HA VAL A 4 33.647 10.631 16.295 1.00 0.00 H
ATOM 45 CB VAL A 4 35.489 10.892 16.765 1.00 0.00 C
ATOM 46 HB VAL A 4 36.394 10.352 17.040 1.00 0.00 H
ATOM 47 CG1 VAL A 4 35.816 12.004 15.773 1.00 0.00 C
ATOM 48 1HG1 VAL A 4 36.549 12.680 16.212 1.00 0.00 H
ATOM 49 2HG1 VAL A 4 36.224 11.569 14.860 1.00 0.00 H
ATOM 50 3HG1 VAL A 4 34.908 12.559 15.535 1.00 0.00 H
ATOM 51 CG2 VAL A 4 34.982 11.500 18.080 1.00 0.00 C
ATOM 52 1HG2 VAL A 4 35.725 12.196 18.469 1.00 0.00 H
ATOM 53 2HG2 VAL A 4 34.048 12.031 17.899 1.00 0.00 H
ATOM 54 3HG2 VAL A 4 34.813 10.705 18.806 1.00 0.00 H
ATOM 55 C VAL A 4 34.733 9.450 14.753 1.00 0.00 C
ATOM 56 O VAL A 4 34.258 10.085 13.818 1.00 0.00 O
ATOM 57 N GLU A 5 35.475 8.351 14.569 1.00 0.00 N
ATOM 58 H GLU A 5 35.830 7.841 15.365 1.00 0.00 H
ATOM 59 CA GLU A 5 35.804 7.842 13.221 1.00 0.00 C
ATOM 60 HA GLU A 5 36.408 8.579 12.691 1.00 0.00 H
ATOM 61 CB GLU A 5 36.737 6.623 13.342 1.00 0.00 C
ATOM 62 HB1 GLU A 5 37.487 6.813 14.110 1.00 0.00 H
ATOM 63 HB2 GLU A 5 36.153 5.744 13.614 1.00 0.00 H
ATOM 64 CG GLU A 5 37.482 6.287 12.065 1.00 0.00 C
ATOM 65 HG1 GLU A 5 36.785 5.876 11.335 1.00 0.00 H
ATOM 66 HG2 GLU A 5 37.938 7.191 11.661 1.00 0.00 H
ATOM 67 CD GLU A 5 38.587 5.272 12.249 1.00 0.00 C
ATOM 68 OE1 GLU A 5 38.277 4.103 12.568 1.00 0.00 O
ATOM 69 OE2 GLU A 5 39.769 5.650 12.096 1.00 0.00 O
ATOM 70 C GLU A 5 34.553 7.478 12.393 1.00 0.00 C
ATOM 71 O GLU A 5 34.587 7.520 11.160 1.00 0.00 O
ATOM 72 N MET A 6 33.459 7.116 13.075 1.00 0.00 N
ATOM 73 H MET A 6 33.473 7.107 14.085 1.00 0.00 H
ATOM 74 CA MET A 6 32.222 6.725 12.382 1.00 0.00 C
ATOM 75 HA MET A 6 32.464 6.357 11.385 1.00 0.00 H
ATOM 76 CB MET A 6 31.694 5.399 12.935 1.00 0.00 C
ATOM 77 HB1 MET A 6 31.539 5.489 14.010 1.00 0.00 H
ATOM 78 HB2 MET A 6 30.749 5.153 12.451 1.00 0.00 H
ATOM 79 CG MET A 6 32.672 4.289 12.679 1.00 0.00 C
ATOM 80 HG1 MET A 6 32.805 4.162 11.605 1.00 0.00 H
ATOM 81 HG2 MET A 6 33.631 4.536 13.136 1.00 0.00 H
ATOM 82 SD MET A 6 32.166 2.703 13.339 1.00 0.00 S
ATOM 83 CE MET A 6 32.807 2.847 15.002 1.00 0.00 C
ATOM 84 HE1 MET A 6 32.579 1.939 15.560 1.00 0.00 H
ATOM 85 HE2 MET A 6 33.887 2.989 14.965 1.00 0.00 H
ATOM 86 HE3 MET A 6 32.346 3.702 15.497 1.00 0.00 H
ATOM 87 C MET A 6 31.135 7.789 12.353 1.00 0.00 C
ATOM 88 O MET A 6 30.206 7.690 11.552 1.00 0.00 O
ATOM 89 N VAL A 7 31.252 8.809 13.189 1.00 0.00 N
ATOM 90 H VAL A 7 32.021 8.840 13.843 1.00 0.00 H
ATOM 91 CA VAL A 7 30.275 9.898 13.176 1.00 0.00 C
ATOM 92 HA VAL A 7 29.289 9.505 13.427 1.00 0.00 H
ATOM 93 CB VAL A 7 30.496 10.874 14.373 1.00 0.00 C
ATOM 94 HB VAL A 7 31.561 11.082 14.481 1.00 0.00 H
ATOM 95 CG1 VAL A 7 29.706 12.171 14.187 1.00 0.00 C
ATOM 96 1HG1 VAL A 7 29.883 12.830 15.038 1.00 0.00 H
ATOM 97 2HG1 VAL A 7 30.031 12.667 13.272 1.00 0.00 H
ATOM 98 3HG1 VAL A 7 28.643 11.943 14.119 1.00 0.00 H
ATOM 99 CG2 VAL A 7 30.110 10.205 15.685 1.00 0.00 C
ATOM 100 1HG2 VAL A 7 30.270 10.900 16.509 1.00 0.00 H
ATOM 101 2HG2 VAL A 7 29.058 9.919 15.652 1.00 0.00 H
ATOM 102 3HG2 VAL A 7 30.723 9.316 15.836 1.00 0.00 H
ATOM 103 C VAL A 7 30.332 10.608 11.805 1.00 0.00 C
ATOM 104 O VAL A 7 31.423 10.857 11.289 1.00 0.00 O
ATOM 105 N ASP A 8 29.151 10.903 11.234 1.00 0.00 N
ATOM 106 H ASP A 8 28.290 10.630 11.685 1.00 0.00 H
ATOM 107 CA ASP A 8 28.985 11.613 9.961 1.00 0.00 C
ATOM 108 HA ASP A 8 27.942 11.908 9.843 1.00 0.00 H
ATOM 109 CB ASP A 8 29.596 13.038 10.031 1.00 0.00 C
ATOM 110 HB1 ASP A 8 30.658 12.968 10.269 1.00 0.00 H
ATOM 111 HB2 ASP A 8 29.472 13.535 9.069 1.00 0.00 H
ATOM 112 CG ASP A 8 28.982 13.977 11.081 1.00 0.00 C
ATOM 113 OD1 ASP A 8 29.625 14.973 11.427 1.00 0.00 O
ATOM 114 OD2 ASP A 8 27.876 13.680 11.582 1.00 0.00 O
ATOM 115 C ASP A 8 29.515 10.831 8.758 1.00 0.00 C
ATOM 116 O ASP A 8 30.004 11.436 7.795 1.00 0.00 O
ATOM 117 N ASN A 9 29.418 9.501 8.792 1.00 0.00 N
ATOM 118 H ASN A 9 28.985 9.046 9.583 1.00 0.00 H
ATOM 119 CA ASN A 9 29.939 8.685 7.682 1.00 0.00 C
ATOM 120 HA ASN A 9 30.785 9.196 7.221 1.00 0.00 H
ATOM 121 CB ASN A 9 30.621 7.371 8.204 1.00 0.00 C
ATOM 122 HB1 ASN A 9 31.012 6.803 7.359 1.00 0.00 H
ATOM 123 HB2 ASN A 9 31.439 7.628 8.877 1.00 0.00 H
ATOM 124 CG ASN A 9 29.692 6.460 8.960 1.00 0.00 C
ATOM 125 OD1 ASN A 9 28.546 6.817 9.218 1.00 0.00 O
ATOM 126 ND2 ASN A 9 30.179 5.284 9.424 1.00 0.00 N
ATOM 127 1HD2 ASN A 9 31.145 5.038 9.259 1.00 0.00 H
ATOM 128 2HD2 ASN A 9 29.577 4.654 9.935 1.00 0.00 H
ATOM 129 C ASN A 9 28.859 8.347 6.647 1.00 0.00 C
ATOM 130 O ASN A 9 29.153 7.626 5.700 1.00 0.00 O
ATOM 131 N LEU A 10 27.624 8.872 6.808 1.00 0.00 N
ATOM 132 H LEU A 10 27.422 9.450 7.611 1.00 0.00 H
ATOM 133 CA LEU A 10 26.545 8.624 5.836 1.00 0.00 C
ATOM 134 HA LEU A 10 26.828 7.801 5.179 1.00 0.00 H
ATOM 135 CB LEU A 10 25.226 8.217 6.536 1.00 0.00 C
ATOM 136 HB1 LEU A 10 24.890 9.029 7.181 1.00 0.00 H
ATOM 137 HB2 LEU A 10 24.463 8.011 5.785 1.00 0.00 H
ATOM 138 CG LEU A 10 25.247 6.966 7.442 1.00 0.00 C
ATOM 139 HG LEU A 10 25.922 7.136 8.281 1.00 0.00 H
ATOM 140 CD1 LEU A 10 23.834 6.658 7.955 1.00 0.00 C
ATOM 141 1HD1 LEU A 10 23.863 5.774 8.592 1.00 0.00 H
ATOM 142 2HD1 LEU A 10 23.463 7.507 8.529 1.00 0.00 H
ATOM 143 3HD1 LEU A 10 23.171 6.474 7.109 1.00 0.00 H
ATOM 144 CD2 LEU A 10 25.780 5.732 6.716 1.00 0.00 C
ATOM 145 1HD2 LEU A 10 25.775 4.880 7.396 1.00 0.00 H
ATOM 146 2HD2 LEU A 10 25.147 5.514 5.856 1.00 0.00 H
ATOM 147 3HD2 LEU A 10 26.799 5.921 6.378 1.00 0.00 H
ATOM 148 C LEU A 10 26.259 9.841 4.996 1.00 0.00 C
ATOM 149 O LEU A 10 26.471 10.964 5.447 1.00 0.00 O
ATOM 150 N ARG A 11 25.705 9.611 3.801 1.00 0.00 N
ATOM 151 H ARG A 11 25.608 8.664 3.463 1.00 0.00 H
ATOM 152 CA ARG A 11 25.212 10.667 2.918 1.00 0.00 C
ATOM 153 HA ARG A 11 25.041 11.575 3.496 1.00 0.00 H
ATOM 154 CB ARG A 11 26.221 10.996 1.792 1.00 0.00 C
ATOM 155 HB1 ARG A 11 26.551 10.071 1.318 1.00 0.00 H
ATOM 156 HB2 ARG A 11 25.742 11.633 1.049 1.00 0.00 H
ATOM 157 CG ARG A 11 27.480 11.732 2.273 1.00 0.00 C
ATOM 158 HG1 ARG A 11 27.192 12.574 2.902 1.00 0.00 H
ATOM 159 HG2 ARG A 11 28.104 11.047 2.848 1.00 0.00 H
ATOM 160 CD ARG A 11 28.310 12.270 1.106 1.00 0.00 C
ATOM 161 HD1 ARG A 11 27.645 12.661 0.336 1.00 0.00 H
ATOM 162 HD2 ARG A 11 28.963 13.068 1.461 1.00 0.00 H
ATOM 163 NE ARG A 11 29.129 11.204 0.533 1.00 0.00 N
ATOM 164 HE ARG A 11 29.262 10.404 1.136 1.00 0.00 H
ATOM 165 CZ ARG A 11 29.683 11.224 -0.680 1.00 0.00 C
ATOM 166 NH1 ARG A 11 29.523 12.277 -1.479 1.00 0.00 N
ATOM 167 1HH1 ARG A 11 28.979 13.069 -1.167 1.00 0.00 H
ATOM 168 2HH1 ARG A 11 29.946 12.285 -2.396 1.00 0.00 H
ATOM 169 NH2 ARG A 11 30.405 10.195 -1.100 1.00 0.00 N
ATOM 170 1HH2 ARG A 11 30.537 9.392 -0.501 1.00 0.00 H
ATOM 171 2HH2 ARG A 11 30.823 10.213 -2.019 1.00 0.00 H
ATOM 172 C ARG A 11 23.903 10.142 2.313 1.00 0.00 C
ATOM 173 O ARG A 11 23.635 8.945 2.338 1.00 0.00 O
ATOM 174 N GLY A 12 23.119 11.041 1.766 1.00 0.00 N
ATOM 175 H GLY A 12 23.373 12.018 1.796 1.00 0.00 H
ATOM 176 CA GLY A 12 21.881 10.680 1.109 1.00 0.00 C
ATOM 177 HA1 GLY A 12 21.949 10.918 0.048 1.00 0.00 H
ATOM 178 HA2 GLY A 12 21.702 9.612 1.231 1.00 0.00 H
ATOM 179 C GLY A 12 20.700 11.421 1.681 1.00 0.00 C
ATOM 180 O GLY A 12 20.849 12.465 2.332 1.00 0.00 O
ATOM 181 N LYS A 13 19.521 10.863 1.437 1.00 0.00 N
ATOM 182 H LYS A 13 19.469 9.997 0.919 1.00 0.00 H
ATOM 183 CA LYS A 13 18.244 11.426 1.878 1.00 0.00 C
ATOM 184 HA LYS A 13 18.371 11.896 2.853 1.00 0.00 H
ATOM 185 CB LYS A 13 17.891 12.667 1.048 1.00 0.00 C
ATOM 186 HB1 LYS A 13 16.890 13.009 1.312 1.00 0.00 H
ATOM 187 HB2 LYS A 13 18.611 13.459 1.253 1.00 0.00 H
ATOM 188 CG LYS A 13 17.890 12.475 -0.464 1.00 0.00 C
ATOM 189 HG1 LYS A 13 18.809 11.974 -0.768 1.00 0.00 H
ATOM 190 HG2 LYS A 13 17.033 11.866 -0.752 1.00 0.00 H
ATOM 191 CD LYS A 13 17.800 13.849 -1.097 1.00 0.00 C
ATOM 192 HD1 LYS A 13 16.857 14.318 -0.817 1.00 0.00 H
ATOM 193 HD2 LYS A 13 18.629 14.465 -0.748 1.00 0.00 H
ATOM 194 CE LYS A 13 17.856 13.868 -2.592 1.00 0.00 C
ATOM 195 HE1 LYS A 13 18.813 13.466 -2.925 1.00 0.00 H
ATOM 196 HE2 LYS A 13 17.047 13.258 -2.994 1.00 0.00 H
ATOM 197 NZ LYS A 13 17.711 15.262 -3.096 1.00 0.00 N
ATOM 198 HZ1 LYS A 13 18.461 15.832 -2.730 1.00 0.00 H
ATOM 199 HZ2 LYS A 13 17.751 15.262 -4.105 1.00 0.00 H
ATOM 200 HZ3 LYS A 13 16.824 15.639 -2.794 1.00 0.00 H
ATOM 201 C LYS A 13 17.164 10.353 1.847 1.00 0.00 C
ATOM 202 O LYS A 13 17.379 9.301 1.242 1.00 0.00 O
ATOM 203 N SER A 14 16.017 10.589 2.515 1.00 0.00 N
ATOM 204 H SER A 14 15.859 11.490 2.945 1.00 0.00 H
ATOM 205 CA SER A 14 14.951 9.579 2.658 1.00 0.00 C
ATOM 206 HA SER A 14 15.264 8.820 3.375 1.00 0.00 H
ATOM 207 CB SER A 14 13.771 10.145 3.447 1.00 0.00 C
ATOM 208 HB1 SER A 14 12.964 9.413 3.470 1.00 0.00 H
ATOM 209 HB2 SER A 14 14.088 10.367 4.466 1.00 0.00 H
ATOM 210 OG SER A 14 13.285 11.341 2.850 1.00 0.00 O
ATOM 211 HG SER A 14 12.953 11.928 3.533 1.00 0.00 H
ATOM 212 C SER A 14 14.459 8.937 1.359 1.00 0.00 C
ATOM 213 O SER A 14 14.317 7.695 1.294 1.00 0.00 O
ATOM 214 N GLY A 15 14.244 9.780 0.340 1.00 0.00 N
ATOM 215 H GLY A 15 14.444 10.764 0.448 1.00 0.00 H
ATOM 216 CA GLY A 15 13.720 9.331 -0.948 1.00 0.00 C
ATOM 217 HA1 GLY A 15 12.840 8.708 -0.786 1.00 0.00 H
ATOM 218 HA2 GLY A 15 13.445 10.196 -1.551 1.00 0.00 H
ATOM 219 C GLY A 15 14.650 8.510 -1.810 1.00 0.00 C
ATOM 220 O GLY A 15 14.175 7.745 -2.651 1.00 0.00 O
ATOM 221 N GLN A 16 15.975 8.669 -1.641 1.00 0.00 N
ATOM 222 H GLN A 16 16.321 9.302 -0.934 1.00 0.00 H
ATOM 223 CA GLN A 16 16.959 7.945 -2.461 1.00 0.00 C
ATOM 224 HA GLN A 16 16.446 7.420 -3.266 1.00 0.00 H
ATOM 225 CB GLN A 16 17.856 8.935 -3.221 1.00 0.00 C
ATOM 226 HB1 GLN A 16 18.294 9.643 -2.517 1.00 0.00 H
ATOM 227 HB2 GLN A 16 18.650 8.390 -3.730 1.00 0.00 H
ATOM 228 CG GLN A 16 17.100 9.742 -4.276 1.00 0.00 C
ATOM 229 HG1 GLN A 16 16.416 9.086 -4.814 1.00 0.00 H
ATOM 230 HG2 GLN A 16 16.534 10.537 -3.789 1.00 0.00 H
ATOM 231 CD GLN A 16 18.034 10.373 -5.277 1.00 0.00 C
ATOM 232 OE1 GLN A 16 18.906 11.194 -4.942 1.00 0.00 O
ATOM 233 NE2 GLN A 16 17.850 10.009 -6.533 1.00 0.00 N
ATOM 234 1HE2 GLN A 16 17.121 9.350 -6.766 1.00 0.00 H
ATOM 235 2HE2 GLN A 16 18.438 10.390 -7.260 1.00 0.00 H
ATOM 236 C GLN A 16 17.822 6.975 -1.657 1.00 0.00 C
ATOM 237 O GLN A 16 18.544 6.175 -2.245 1.00 0.00 O
ATOM 238 N GLY A 17 17.697 7.031 -0.332 1.00 0.00 N
ATOM 239 H GLY A 17 17.071 7.703 0.088 1.00 0.00 H
ATOM 240 CA GLY A 17 18.422 6.161 0.591 1.00 0.00 C
ATOM 241 HA1 GLY A 17 17.769 5.886 1.419 1.00 0.00 H
ATOM 242 HA2 GLY A 17 18.743 5.261 0.066 1.00 0.00 H
ATOM 243 C GLY A 17 19.659 6.808 1.183 1.00 0.00 C
ATOM 244 O GLY A 17 20.196 7.761 0.619 1.00 0.00 O
ATOM 245 N TYR A 18 20.130 6.265 2.317 1.00 0.00 N
ATOM 246 H TYR A 18 19.637 5.499 2.753 1.00 0.00 H
ATOM 247 CA TYR A 18 21.352 6.709 3.007 1.00 0.00 C
ATOM 248 HA TYR A 18 21.645 7.690 2.635 1.00 0.00 H
ATOM 249 CB TYR A 18 21.091 6.867 4.510 1.00 0.00 C
ATOM 250 HB1 TYR A 18 20.583 5.979 4.886 1.00 0.00 H
ATOM 251 HB2 TYR A 18 22.039 6.991 5.033 1.00 0.00 H
ATOM 252 CG TYR A 18 20.224 8.072 4.803 1.00 0.00 C
ATOM 253 CD1 TYR A 18 18.833 7.974 4.809 1.00 0.00 C
ATOM 254 HD1 TYR A 18 18.359 7.020 4.635 1.00 0.00 H
ATOM 255 CE1 TYR A 18 18.035 9.092 5.037 1.00 0.00 C
ATOM 256 HE1 TYR A 18 16.960 8.993 5.062 1.00 0.00 H
ATOM 257 CZ TYR A 18 18.628 10.333 5.231 1.00 0.00 C
ATOM 258 OH TYR A 18 17.885 11.462 5.505 1.00 0.00 O
ATOM 259 HH TYR A 18 16.972 11.213 5.666 1.00 0.00 H
ATOM 260 CE2 TYR A 18 20.003 10.456 5.184 1.00 0.00 C
ATOM 261 HE2 TYR A 18 20.466 11.424 5.307 1.00 0.00 H
ATOM 262 CD2 TYR A 18 20.792 9.330 4.979 1.00 0.00 C
ATOM 263 HD2 TYR A 18 21.865 9.446 4.958 1.00 0.00 H
ATOM 264 C TYR A 18 22.446 5.671 2.754 1.00 0.00 C
ATOM 265 O TYR A 18 22.190 4.470 2.860 1.00 0.00 O
ATOM 266 N TYR A 19 23.641 6.134 2.386 1.00 0.00 N
ATOM 267 H TYR A 19 23.810 7.129 2.354 1.00 0.00 H
ATOM 268 CA TYR A 19 24.705 5.210 2.030 1.00 0.00 C
ATOM 269 HA TYR A 19 24.354 4.185 2.153 1.00 0.00 H
ATOM 270 CB TYR A 19 24.906 5.194 0.486 1.00 0.00 C
ATOM 271 HB1 TYR A 19 25.697 4.490 0.229 1.00 0.00 H
ATOM 272 HB2 TYR A 19 23.978 4.890 0.001 1.00 0.00 H
ATOM 273 CG TYR A 19 25.298 6.552 -0.092 1.00 0.00 C
ATOM 274 CD1 TYR A 19 26.630 6.934 -0.173 1.00 0.00 C
ATOM 275 HD1 TYR A 19 27.404 6.274 0.188 1.00 0.00 H
ATOM 276 CE1 TYR A 19 27.003 8.163 -0.715 1.00 0.00 C
ATOM 277 HE1 TYR A 19 28.047 8.435 -0.768 1.00 0.00 H
ATOM 278 CZ TYR A 19 26.036 9.033 -1.184 1.00 0.00 C
ATOM 279 OH TYR A 19 26.467 10.225 -1.707 1.00 0.00 O
ATOM 280 HH TYR A 19 25.710 10.740 -1.998 1.00 0.00 H
ATOM 281 CE2 TYR A 19 24.695 8.691 -1.099 1.00 0.00 C
ATOM 282 HE2 TYR A 19 23.931 9.387 -1.415 1.00 0.00 H
ATOM 283 CD2 TYR A 19 24.331 7.431 -0.596 1.00 0.00 C
ATOM 284 HD2 TYR A 19 23.291 7.142 -0.603 1.00 0.00 H
ATOM 285 C TYR A 19 25.996 5.474 2.772 1.00 0.00 C
ATOM 286 O TYR A 19 26.266 6.605 3.211 1.00 0.00 O
ATOM 287 N VAL A 20 26.808 4.430 2.878 1.00 0.00 N
ATOM 288 H VAL A 20 26.532 3.535 2.501 1.00 0.00 H
ATOM 289 CA VAL A 20 28.118 4.476 3.520 1.00 0.00 C
ATOM 290 HA VAL A 20 28.313 5.487 3.877 1.00 0.00 H
ATOM 291 CB VAL A 20 28.122 3.559 4.787 1.00 0.00 C
ATOM 292 HB VAL A 20 27.363 3.906 5.489 1.00 0.00 H
ATOM 293 CG1 VAL A 20 27.969 2.064 4.417 1.00 0.00 C
ATOM 294 1HG1 VAL A 20 27.976 1.462 5.326 1.00 0.00 H
ATOM 295 2HG1 VAL A 20 27.026 1.915 3.890 1.00 0.00 H
ATOM 296 3HG1 VAL A 20 28.796 1.762 3.775 1.00 0.00 H
ATOM 297 CG2 VAL A 20 29.358 3.804 5.665 1.00 0.00 C
ATOM 298 1HG2 VAL A 20 29.322 3.148 6.534 1.00 0.00 H
ATOM 299 2HG2 VAL A 20 30.260 3.595 5.089 1.00 0.00 H
ATOM 300 3HG2 VAL A 20 29.370 4.843 5.994 1.00 0.00 H
ATOM 301 C VAL A 20 29.181 4.019 2.485 1.00 0.00 C
ATOM 302 O VAL A 20 28.899 3.203 1.599 1.00 0.00 O
ATOM 303 N GLU A 21 30.398 4.551 2.601 1.00 0.00 N
ATOM 304 H GLU A 21 30.577 5.255 3.302 1.00 0.00 H
ATOM 305 CA GLU A 21 31.463 4.110 1.713 1.00 0.00 C
ATOM 306 HA GLU A 21 31.075 4.014 0.699 1.00 0.00 H
ATOM 307 CB GLU A 21 32.587 5.162 1.649 1.00 0.00 C
ATOM 308 HB1 GLU A 21 32.164 6.131 1.384 1.00 0.00 H
ATOM 309 HB2 GLU A 21 33.076 5.233 2.621 1.00 0.00 H
ATOM 310 CG GLU A 21 33.677 4.860 0.626 1.00 0.00 C
ATOM 311 HG1 GLU A 21 34.156 3.913 0.874 1.00 0.00 H
ATOM 312 HG2 GLU A 21 33.234 4.793 -0.368 1.00 0.00 H
ATOM 313 CD GLU A 21 34.755 5.927 0.583 1.00 0.00 C
ATOM 314 OE1 GLU A 21 34.575 6.940 -0.119 1.00 0.00 O
ATOM 315 OE2 GLU A 21 35.771 5.766 1.281 1.00 0.00 O
ATOM 316 C GLU A 21 32.005 2.792 2.212 1.00 0.00 C
ATOM 317 O GLU A 21 32.212 2.592 3.413 1.00 0.00 O
ATOM 318 N MET A 22 32.270 1.891 1.277 1.00 0.00 N
ATOM 319 H MET A 22 32.054 2.088 0.311 1.00 0.00 H
ATOM 320 CA MET A 22 32.876 0.593 1.571 1.00 0.00 C
ATOM 321 HA MET A 22 33.351 0.627 2.552 1.00 0.00 H
ATOM 322 CB MET A 22 31.814 -0.527 1.564 1.00 0.00 C
ATOM 323 HB1 MET A 22 31.325 -0.558 0.590 1.00 0.00 H
ATOM 324 HB2 MET A 22 32.296 -1.486 1.759 1.00 0.00 H
ATOM 325 CG MET A 22 30.725 -0.326 2.628 1.00 0.00 C
ATOM 326 HG1 MET A 22 31.189 -0.232 3.610 1.00 0.00 H
ATOM 327 HG2 MET A 22 30.161 0.580 2.405 1.00 0.00 H
ATOM 328 SD MET A 22 29.546 -1.664 2.731 1.00 0.00 S
ATOM 329 CE MET A 22 30.540 -2.917 3.617 1.00 0.00 C
ATOM 330 HE1 MET A 22 29.945 -3.819 3.762 1.00 0.00 H
ATOM 331 HE2 MET A 22 31.427 -3.158 3.032 1.00 0.00 H
ATOM 332 HE3 MET A 22 30.843 -2.523 4.587 1.00 0.00 H
ATOM 333 C MET A 22 33.923 0.291 0.503 1.00 0.00 C
ATOM 334 O MET A 22 33.932 0.925 -0.547 1.00 0.00 O
ATOM 335 N THR A 23 34.827 -0.651 0.786 1.00 0.00 N
ATOM 336 H THR A 23 34.847 -1.073 1.703 1.00 0.00 H
ATOM 337 CA THR A 23 35.791 -1.078 -0.227 1.00 0.00 C
ATOM 338 HA THR A 23 35.577 -0.574 -1.169 1.00 0.00 H
ATOM 339 CB THR A 23 37.248 -0.724 0.107 1.00 0.00 C
ATOM 340 HB THR A 23 37.855 -0.793 -0.796 1.00 0.00 H
ATOM 341 CG2 THR A 23 37.477 0.758 0.343 1.00 0.00 C
ATOM 342 1HG2 THR A 23 38.528 0.932 0.573 1.00 0.00 H
ATOM 343 2HG2 THR A 23 37.205 1.316 -0.553 1.00 0.00 H
ATOM 344 3HG2 THR A 23 36.863 1.093 1.179 1.00 0.00 H
ATOM 345 OG1 THR A 23 37.723 -1.507 1.188 1.00 0.00 O
ATOM 346 HG1 THR A 23 37.677 -2.437 0.955 1.00 0.00 H
ATOM 347 C THR A 23 35.644 -2.582 -0.344 1.00 0.00 C
ATOM 348 O THR A 23 35.368 -3.249 0.653 1.00 0.00 O
ATOM 349 N VAL A 24 35.787 -3.109 -1.563 1.00 0.00 N
ATOM 350 H VAL A 24 35.955 -2.507 -2.357 1.00 0.00 H
ATOM 351 CA VAL A 24 35.710 -4.551 -1.809 1.00 0.00 C
ATOM 352 HA VAL A 24 35.679 -5.081 -0.857 1.00 0.00 H
ATOM 353 CB VAL A 24 34.374 -5.013 -2.481 1.00 0.00 C
ATOM 354 HB VAL A 24 34.428 -6.079 -2.703 1.00 0.00 H
ATOM 355 CG1 VAL A 24 33.154 -4.691 -1.598 1.00 0.00 C
ATOM 356 1HG1 VAL A 24 32.245 -5.027 -2.097 1.00 0.00 H
ATOM 357 2HG1 VAL A 24 33.253 -5.203 -0.640 1.00 0.00 H
ATOM 358 3HG1 VAL A 24 33.101 -3.615 -1.430 1.00 0.00 H
ATOM 359 CG2 VAL A 24 34.189 -4.395 -3.863 1.00 0.00 C
ATOM 360 1HG2 VAL A 24 33.249 -4.743 -4.294 1.00 0.00 H
ATOM 361 2HG2 VAL A 24 34.168 -3.309 -3.777 1.00 0.00 H
ATOM 362 3HG2 VAL A 24 35.015 -4.692 -4.509 1.00 0.00 H
ATOM 363 C VAL A 24 36.911 -4.951 -2.674 1.00 0.00 C
ATOM 364 O VAL A 24 37.269 -4.225 -3.609 1.00 0.00 O
ATOM 365 N GLY A 25 37.485 -6.109 -2.381 1.00 0.00 N
ATOM 366 H GLY A 25 37.169 -6.642 -1.584 1.00 0.00 H
ATOM 367 CA GLY A 25 38.578 -6.653 -3.184 1.00 0.00 C
ATOM 368 HA1 GLY A 25 38.591 -7.740 -3.093 1.00 0.00 H
ATOM 369 HA2 GLY A 25 38.434 -6.379 -4.229 1.00 0.00 H
ATOM 370 C GLY A 25 39.972 -6.199 -2.832 1.00 0.00 C
ATOM 371 O GLY A 25 40.163 -5.351 -1.955 1.00 0.00 O
ATOM 372 N SER A 26 40.954 -6.752 -3.573 1.00 0.00 N
ATOM 373 H SER A 26 40.727 -7.430 -4.287 1.00 0.00 H
ATOM 374 CA SER A 26 42.380 -6.452 -3.436 1.00 0.00 C
ATOM 375 HA SER A 26 42.506 -5.557 -2.826 1.00 0.00 H
ATOM 376 CB SER A 26 43.120 -7.594 -2.733 1.00 0.00 C
ATOM 377 HB1 SER A 26 43.151 -8.465 -3.389 1.00 0.00 H
ATOM 378 HB2 SER A 26 44.137 -7.280 -2.500 1.00 0.00 H
ATOM 379 OG SER A 26 42.471 -7.961 -1.524 1.00 0.00 O
ATOM 380 HG SER A 26 41.849 -8.672 -1.696 1.00 0.00 H
ATOM 381 C SER A 26 42.977 -6.234 -4.833 1.00 0.00 C
ATOM 382 O SER A 26 42.961 -7.164 -5.652 1.00 0.00 O
ATOM 383 N PRO A 27 43.486 -5.022 -5.141 1.00 0.00 N
ATOM 384 CD PRO A 27 44.082 -4.753 -6.467 1.00 0.00 C
ATOM 385 HD1 PRO A 27 43.456 -5.193 -7.243 1.00 0.00 H
ATOM 386 HD2 PRO A 27 45.079 -5.191 -6.513 1.00 0.00 H
ATOM 387 CG PRO A 27 44.114 -3.241 -6.542 1.00 0.00 C
ATOM 388 HG1 PRO A 27 43.174 -2.832 -6.910 1.00 0.00 H
ATOM 389 HG2 PRO A 27 44.935 -2.882 -7.163 1.00 0.00 H
ATOM 390 CB PRO A 27 44.331 -2.802 -5.126 1.00 0.00 C
ATOM 391 HB1 PRO A 27 43.958 -1.793 -4.949 1.00 0.00 H
ATOM 392 HB2 PRO A 27 45.380 -2.857 -4.836 1.00 0.00 H
ATOM 393 CA PRO A 27 43.511 -3.809 -4.288 1.00 0.00 C
ATOM 394 HA PRO A 27 43.986 -4.044 -3.336 1.00 0.00 H
ATOM 395 C PRO A 27 42.071 -3.325 -4.034 1.00 0.00 C
ATOM 396 O PRO A 27 41.159 -3.684 -4.795 1.00 0.00 O
ATOM 397 N PRO A 28 41.828 -2.560 -2.965 1.00 0.00 N
ATOM 398 CD PRO A 28 42.773 -2.086 -1.933 1.00 0.00 C
ATOM 399 HD1 PRO A 28 43.685 -1.728 -2.411 1.00 0.00 H
ATOM 400 HD2 PRO A 28 43.016 -2.906 -1.257 1.00 0.00 H
ATOM 401 CG PRO A 28 42.027 -0.999 -1.255 1.00 0.00 C
ATOM 402 HG1 PRO A 28 42.203 -0.041 -1.746 1.00 0.00 H
ATOM 403 HG2 PRO A 28 42.312 -0.926 -0.206 1.00 0.00 H
ATOM 404 CB PRO A 28 40.573 -1.354 -1.357 1.00 0.00 C
ATOM 405 HB1 PRO A 28 39.946 -0.464 -1.399 1.00 0.00 H
ATOM 406 HB2 PRO A 28 40.256 -1.982 -0.524 1.00 0.00 H
ATOM 407 CA PRO A 28 40.439 -2.139 -2.670 1.00 0.00 C
ATOM 408 HA PRO A 28 39.823 -3.019 -2.488 1.00 0.00 H
ATOM 409 C PRO A 28 39.755 -1.300 -3.756 1.00 0.00 C
ATOM 410 O PRO A 28 40.340 -0.372 -4.308 1.00 0.00 O
ATOM 411 N GLN A 29 38.496 -1.645 -4.036 1.00 0.00 N
ATOM 412 H GLN A 29 38.081 -2.448 -3.587 1.00 0.00 H
ATOM 413 CA GLN A 29 37.609 -0.947 -4.974 1.00 0.00 C
ATOM 414 HA GLN A 29 38.193 -0.253 -5.578 1.00 0.00 H
ATOM 415 CB GLN A 29 36.928 -1.938 -5.917 1.00 0.00 C
ATOM 416 HB1 GLN A 29 36.416 -2.703 -5.333 1.00 0.00 H
ATOM 417 HB2 GLN A 29 36.204 -1.410 -6.538 1.00 0.00 H
ATOM 418 CG GLN A 29 37.943 -2.634 -6.841 1.00 0.00 C
ATOM 419 HG1 GLN A 29 38.445 -1.888 -7.458 1.00 0.00 H
ATOM 420 HG2 GLN A 29 38.681 -3.163 -6.239 1.00 0.00 H
ATOM 421 CD GLN A 29 37.271 -3.622 -7.744 1.00 0.00 C
ATOM 422 OE1 GLN A 29 36.151 -3.393 -8.242 1.00 0.00 O
ATOM 423 NE2 GLN A 29 37.917 -4.768 -7.925 1.00 0.00 N
ATOM 424 1HE2 GLN A 29 38.802 -4.927 -7.465 1.00 0.00 H
ATOM 425 2HE2 GLN A 29 37.523 -5.481 -8.521 1.00 0.00 H
ATOM 426 C GLN A 29 36.574 -0.211 -4.131 1.00 0.00 C
ATOM 427 O GLN A 29 35.793 -0.836 -3.415 1.00 0.00 O
ATOM 428 N THR A 30 36.609 1.120 -4.180 1.00 0.00 N
ATOM 429 H THR A 30 37.291 1.587 -4.760 1.00 0.00 H
ATOM 430 CA THR A 30 35.664 1.935 -3.396 1.00 0.00 C
ATOM 431 HA THR A 30 35.609 1.549 -2.378 1.00 0.00 H
ATOM 432 CB THR A 30 36.249 3.349 -3.251 1.00 0.00 C
ATOM 433 HB THR A 30 36.352 3.803 -4.237 1.00 0.00 H
ATOM 434 CG2 THR A 30 35.334 4.271 -2.468 1.00 0.00 C
ATOM 435 1HG2 THR A 30 35.789 5.258 -2.392 1.00 0.00 H
ATOM 436 2HG2 THR A 30 34.374 4.352 -2.979 1.00 0.00 H
ATOM 437 3HG2 THR A 30 35.179 3.865 -1.468 1.00 0.00 H
ATOM 438 OG1 THR A 30 37.507 3.235 -2.595 1.00 0.00 O
ATOM 439 HG1 THR A 30 37.895 4.107 -2.492 1.00 0.00 H
ATOM 440 C THR A 30 34.284 1.960 -4.048 1.00 0.00 C
ATOM 441 O THR A 30 34.177 2.150 -5.261 1.00 0.00 O
ATOM 442 N LEU A 31 33.228 1.749 -3.228 1.00 0.00 N
ATOM 443 H LEU A 31 33.381 1.521 -2.257 1.00 0.00 H
ATOM 444 CA LEU A 31 31.826 1.827 -3.650 1.00 0.00 C
ATOM 445 HA LEU A 31 31.754 2.413 -4.567 1.00 0.00 H
ATOM 446 CB LEU A 31 31.237 0.422 -3.974 1.00 0.00 C
ATOM 447 HB1 LEU A 31 31.300 -0.212 -3.090 1.00 0.00 H
ATOM 448 HB2 LEU A 31 30.194 0.525 -4.274 1.00 0.00 H
ATOM 449 CG LEU A 31 31.909 -0.391 -5.108 1.00 0.00 C
ATOM 450 HG LEU A 31 32.993 -0.343 -4.997 1.00 0.00 H
ATOM 451 CD1 LEU A 31 31.382 -1.836 -5.134 1.00 0.00 C
ATOM 452 1HD1 LEU A 31 31.869 -2.387 -5.938 1.00 0.00 H
ATOM 453 2HD1 LEU A 31 31.598 -2.319 -4.181 1.00 0.00 H
ATOM 454 3HD1 LEU A 31 30.305 -1.827 -5.300 1.00 0.00 H
ATOM 455 CD2 LEU A 31 31.740 0.291 -6.483 1.00 0.00 C
ATOM 456 1HD2 LEU A 31 32.226 -0.312 -7.251 1.00 0.00 H
ATOM 457 2HD2 LEU A 31 30.679 0.385 -6.714 1.00 0.00 H
ATOM 458 3HD2 LEU A 31 32.195 1.281 -6.457 1.00 0.00 H
ATOM 459 C LEU A 31 30.995 2.470 -2.548 1.00 0.00 C
ATOM 460 O LEU A 31 31.347 2.363 -1.361 1.00 0.00 O
ATOM 461 N ASN A 32 29.888 3.116 -2.944 1.00 0.00 N
ATOM 462 H ASN A 32 29.690 3.224 -3.929 1.00 0.00 H
ATOM 463 CA ASN A 32 28.906 3.701 -2.022 1.00 0.00 C
ATOM 464 HA ASN A 32 29.389 3.926 -1.071 1.00 0.00 H
ATOM 465 CB ASN A 32 28.428 5.037 -2.497 1.00 0.00 C
ATOM 466 HB1 ASN A 32 28.216 4.989 -3.565 1.00 0.00 H
ATOM 467 HB2 ASN A 32 27.521 5.312 -1.959 1.00 0.00 H
ATOM 468 CG ASN A 32 29.453 6.105 -2.267 1.00 0.00 C
ATOM 469 OD1 ASN A 32 30.252 6.045 -1.334 1.00 0.00 O
ATOM 470 ND2 ASN A 32 29.432 7.101 -3.105 1.00 0.00 N
ATOM 471 1HD2 ASN A 32 28.752 7.118 -3.852 1.00 0.00 H
ATOM 472 2HD2 ASN A 32 30.096 7.856 -3.009 1.00 0.00 H
ATOM 473 C ASN A 32 27.785 2.722 -1.891 1.00 0.00 C
ATOM 474 O ASN A 32 27.282 2.187 -2.896 1.00 0.00 O
ATOM 475 N ILE A 33 27.458 2.392 -0.637 1.00 0.00 N
ATOM 476 H ILE A 33 27.845 2.910 0.138 1.00 0.00 H
ATOM 477 CA ILE A 33 26.541 1.283 -0.364 1.00 0.00 C
ATOM 478 HA ILE A 33 26.212 0.844 -1.306 1.00 0.00 H
ATOM 479 CB ILE A 33 27.347 0.120 0.302 1.00 0.00 C
ATOM 480 HB ILE A 33 27.658 0.419 1.303 1.00 0.00 H
ATOM 481 CG2 ILE A 33 26.429 -1.073 0.637 1.00 0.00 C
ATOM 482 1HG2 ILE A 33 27.017 -1.866 1.099 1.00 0.00 H
ATOM 483 2HG2 ILE A 33 25.650 -0.750 1.327 1.00 0.00 H
ATOM 484 3HG2 ILE A 33 25.971 -1.448 -0.278 1.00 0.00 H
ATOM 485 CG1 ILE A 33 28.547 -0.334 -0.562 1.00 0.00 C
ATOM 486 1HG1 ILE A 33 29.188 0.522 -0.771 1.00 0.00 H
ATOM 487 2HG1 ILE A 33 29.116 -1.092 -0.025 1.00 0.00 H
ATOM 488 CD ILE A 33 28.209 -0.956 -1.940 1.00 0.00 C
ATOM 489 HD1 ILE A 33 29.131 -1.233 -2.451 1.00 0.00 H
ATOM 490 HD2 ILE A 33 27.592 -1.844 -1.798 1.00 0.00 H
ATOM 491 HD3 ILE A 33 27.664 -0.230 -2.544 1.00 0.00 H
ATOM 492 C ILE A 33 25.356 1.683 0.484 1.00 0.00 C
ATOM 493 O ILE A 33 25.535 2.147 1.605 1.00 0.00 O
ATOM 494 N LEU A 34 24.151 1.432 -0.031 1.00 0.00 N
ATOM 495 H LEU A 34 24.071 1.014 -0.947 1.00 0.00 H
ATOM 496 CA LEU A 34 22.922 1.746 0.695 1.00 0.00 C
ATOM 497 HA LEU A 34 22.891 2.813 0.913 1.00 0.00 H
ATOM 498 CB LEU A 34 21.704 1.409 -0.202 1.00 0.00 C
ATOM 499 HB1 LEU A 34 21.726 2.033 -1.095 1.00 0.00 H
ATOM 500 HB2 LEU A 34 21.746 0.359 -0.492 1.00 0.00 H
ATOM 501 CG LEU A 34 20.311 1.616 0.417 1.00 0.00 C
ATOM 502 HG LEU A 34 20.346 1.378 1.480 1.00 0.00 H
ATOM 503 CD1 LEU A 34 19.901 3.057 0.259 1.00 0.00 C
ATOM 504 1HD1 LEU A 34 18.914 3.205 0.698 1.00 0.00 H
ATOM 505 2HD1 LEU A 34 20.622 3.698 0.766 1.00 0.00 H
ATOM 506 3HD1 LEU A 34 19.869 3.313 -0.800 1.00 0.00 H
ATOM 507 CD2 LEU A 34 19.267 0.744 -0.295 1.00 0.00 C
ATOM 508 1HD2 LEU A 34 18.289 0.904 0.157 1.00 0.00 H
ATOM 509 2HD2 LEU A 34 19.227 1.013 -1.351 1.00 0.00 H
ATOM 510 3HD2 LEU A 34 19.543 -0.306 -0.199 1.00 0.00 H
ATOM 511 C LEU A 34 22.826 0.961 2.003 1.00 0.00 C
ATOM 512 O LEU A 34 22.956 -0.264 2.003 1.00 0.00 O
ATOM 513 N VAL A 35 22.542 1.660 3.107 1.00 0.00 N
ATOM 514 H VAL A 35 22.438 2.663 3.057 1.00 0.00 H
ATOM 515 CA VAL A 35 22.371 1.023 4.416 1.00 0.00 C
ATOM 516 HA VAL A 35 23.087 0.208 4.520 1.00 0.00 H
ATOM 517 CB VAL A 35 22.751 2.031 5.544 1.00 0.00 C
ATOM 518 HB VAL A 35 22.301 3.001 5.332 1.00 0.00 H
ATOM 519 CG1 VAL A 35 22.327 1.500 6.915 1.00 0.00 C
ATOM 520 1HG1 VAL A 35 22.602 2.221 7.685 1.00 0.00 H
ATOM 521 2HG1 VAL A 35 21.247 1.350 6.928 1.00 0.00 H
ATOM 522 3HG1 VAL A 35 22.828 0.552 7.109 1.00 0.00 H
ATOM 523 CG2 VAL A 35 24.258 2.329 5.503 1.00 0.00 C
ATOM 524 1HG2 VAL A 35 24.511 3.034 6.296 1.00 0.00 H
ATOM 525 2HG2 VAL A 35 24.816 1.404 5.649 1.00 0.00 H
ATOM 526 3HG2 VAL A 35 24.518 2.761 4.537 1.00 0.00 H
ATOM 527 C VAL A 35 20.910 0.554 4.498 1.00 0.00 C
ATOM 528 O VAL A 35 19.996 1.379 4.516 1.00 0.00 O
ATOM 529 N ASP A 36 20.698 -0.770 4.490 1.00 0.00 N
ATOM 530 H ASP A 36 21.480 -1.408 4.527 1.00 0.00 H
ATOM 531 CA ASP A 36 19.365 -1.363 4.428 1.00 0.00 C
ATOM 532 HA ASP A 36 18.617 -0.571 4.376 1.00 0.00 H
ATOM 533 CB ASP A 36 19.196 -2.051 3.042 1.00 0.00 C
ATOM 534 HB1 ASP A 36 19.470 -1.352 2.252 1.00 0.00 H
ATOM 535 HB2 ASP A 36 19.841 -2.928 2.990 1.00 0.00 H
ATOM 536 CG ASP A 36 17.792 -2.523 2.741 1.00 0.00 C
ATOM 537 OD1 ASP A 36 16.862 -2.180 3.524 1.00 0.00 O
ATOM 538 OD2 ASP A 36 17.617 -3.260 1.743 1.00 0.00 O
ATOM 539 C ASP A 36 19.038 -2.336 5.572 1.00 0.00 C
ATOM 540 O ASP A 36 19.419 -3.502 5.516 1.00 0.00 O
ATOM 541 N THR A 37 18.304 -1.880 6.594 1.00 0.00 N
ATOM 542 H THR A 37 17.998 -0.918 6.607 1.00 0.00 H
ATOM 543 CA THR A 37 17.952 -2.795 7.693 1.00 0.00 C
ATOM 544 HA THR A 37 18.832 -3.365 7.988 1.00 0.00 H
ATOM 545 CB THR A 37 17.692 -2.016 9.014 1.00 0.00 C
ATOM 546 HB THR A 37 17.574 -2.722 9.836 1.00 0.00 H
ATOM 547 CG2 THR A 37 18.902 -1.217 9.482 1.00 0.00 C
ATOM 548 1HG2 THR A 37 18.659 -0.696 10.408 1.00 0.00 H
ATOM 549 2HG2 THR A 37 19.740 -1.893 9.656 1.00 0.00 H
ATOM 550 3HG2 THR A 37 19.176 -0.490 8.718 1.00 0.00 H
ATOM 551 OG1 THR A 37 16.547 -1.157 8.855 1.00 0.00 O
ATOM 552 HG1 THR A 37 15.784 -1.559 9.277 1.00 0.00 H
ATOM 553 C THR A 37 16.752 -3.698 7.312 1.00 0.00 C
ATOM 554 O THR A 37 16.292 -4.470 8.152 1.00 0.00 O
ATOM 555 N GLY A 38 16.247 -3.568 6.079 1.00 0.00 N
ATOM 556 H GLY A 38 16.661 -2.914 5.430 1.00 0.00 H
ATOM 557 CA GLY A 38 15.095 -4.341 5.604 1.00 0.00 C
ATOM 558 HA1 GLY A 38 14.561 -4.761 6.456 1.00 0.00 H
ATOM 559 HA2 GLY A 38 14.425 -3.689 5.042 1.00 0.00 H
ATOM 560 C GLY A 38 15.425 -5.509 4.686 1.00 0.00 C
ATOM 561 O GLY A 38 14.526 -6.087 4.079 1.00 0.00 O
ATOM 562 N SER A 39 16.715 -5.837 4.535 1.00 0.00 N
ATOM 563 H SER A 39 17.431 -5.298 5.002 1.00 0.00 H
ATOM 564 CA SER A 39 17.158 -6.978 3.697 1.00 0.00 C
ATOM 565 HA SER A 39 16.362 -7.721 3.644 1.00 0.00 H
ATOM 566 CB SER A 39 17.290 -6.586 2.233 1.00 0.00 C
ATOM 567 HB1 SER A 39 17.431 -7.481 1.628 1.00 0.00 H
ATOM 568 HB2 SER A 39 16.386 -6.069 1.911 1.00 0.00 H
ATOM 569 OG SER A 39 18.396 -5.722 2.012 1.00 0.00 O
ATOM 570 HG SER A 39 18.285 -4.921 2.528 1.00 0.00 H
ATOM 571 C SER A 39 18.460 -7.518 4.275 1.00 0.00 C
ATOM 572 O SER A 39 18.993 -6.921 5.204 1.00 0.00 O
ATOM 573 N SER A 40 18.939 -8.676 3.794 1.00 0.00 N
ATOM 574 H SER A 40 18.510 -9.102 2.985 1.00 0.00 H
ATOM 575 CA SER A 40 20.082 -9.322 4.438 1.00 0.00 C
ATOM 576 HA SER A 40 20.471 -8.675 5.224 1.00 0.00 H
ATOM 577 CB SER A 40 19.576 -10.530 5.227 1.00 0.00 C
ATOM 578 HB1 SER A 40 19.200 -11.284 4.536 1.00 0.00 H
ATOM 579 HB2 SER A 40 20.393 -10.950 5.813 1.00 0.00 H
ATOM 580 OG SER A 40 18.534 -10.098 6.088 1.00 0.00 O
ATOM 581 HG SER A 40 18.343 -10.786 6.730 1.00 0.00 H
ATOM 582 C SER A 40 21.225 -9.744 3.521 1.00 0.00 C
ATOM 583 O SER A 40 22.114 -10.476 3.958 1.00 0.00 O
ATOM 584 N ASN A 41 21.220 -9.268 2.276 1.00 0.00 N
ATOM 585 H ASN A 41 20.447 -8.703 1.954 1.00 0.00 H
ATOM 586 CA ASN A 41 22.309 -9.533 1.334 1.00 0.00 C
ATOM 587 HA ASN A 41 22.930 -10.344 1.715 1.00 0.00 H
ATOM 588 CB ASN A 41 21.773 -9.920 -0.033 1.00 0.00 C
ATOM 589 HB1 ASN A 41 20.954 -9.254 -0.305 1.00 0.00 H
ATOM 590 HB2 ASN A 41 22.569 -9.838 -0.773 1.00 0.00 H
ATOM 591 CG ASN A 41 21.256 -11.312 -0.079 1.00 0.00 C
ATOM 592 OD1 ASN A 41 20.175 -11.590 0.430 1.00 0.00 O
ATOM 593 ND2 ASN A 41 22.031 -12.219 -0.676 1.00 0.00 N
ATOM 594 1HD2 ASN A 41 22.919 -11.944 -1.069 1.00 0.00 H
ATOM 595 2HD2 ASN A 41 21.728 -13.181 -0.735 1.00 0.00 H
ATOM 596 C ASN A 41 23.194 -8.319 1.137 1.00 0.00 C
ATOM 597 O ASN A 41 22.704 -7.195 1.046 1.00 0.00 O
ATOM 598 N PHE A 42 24.485 -8.571 0.950 1.00 0.00 N
ATOM 599 H PHE A 42 24.842 -9.505 1.090 1.00 0.00 H
ATOM 600 CA PHE A 42 25.441 -7.545 0.543 1.00 0.00 C
ATOM 601 HA PHE A 42 25.048 -6.560 0.797 1.00 0.00 H
ATOM 602 CB PHE A 42 26.803 -7.751 1.218 1.00 0.00 C
ATOM 603 HB1 PHE A 42 26.689 -7.670 2.299 1.00 0.00 H
ATOM 604 HB2 PHE A 42 27.187 -8.740 0.967 1.00 0.00 H
ATOM 605 CG PHE A 42 27.863 -6.756 0.815 1.00 0.00 C
ATOM 606 CD1 PHE A 42 29.191 -7.140 0.710 1.00 0.00 C
ATOM 607 HD1 PHE A 42 29.475 -8.162 0.914 1.00 0.00 H
ATOM 608 CE1 PHE A 42 30.170 -6.215 0.342 1.00 0.00 C
ATOM 609 HE1 PHE A 42 31.198 -6.530 0.234 1.00 0.00 H
ATOM 610 CZ PHE A 42 29.824 -4.896 0.117 1.00 0.00 C
ATOM 611 HZ PHE A 42 30.586 -4.173 -0.133 1.00 0.00 H
ATOM 612 CE2 PHE A 42 28.507 -4.503 0.211 1.00 0.00 C
ATOM 613 HE2 PHE A 42 28.234 -3.478 0.011 1.00 0.00 H
ATOM 614 CD2 PHE A 42 27.535 -5.422 0.561 1.00 0.00 C
ATOM 615 HD2 PHE A 42 26.509 -5.094 0.636 1.00 0.00 H
ATOM 616 C PHE A 42 25.519 -7.770 -0.979 1.00 0.00 C
ATOM 617 O PHE A 42 25.944 -8.837 -1.432 1.00 0.00 O
ATOM 618 N ALA A 43 24.965 -6.830 -1.753 1.00 0.00 N
ATOM 619 H ALA A 43 24.599 -5.986 -1.338 1.00 0.00 H
ATOM 620 CA ALA A 43 24.870 -6.987 -3.214 1.00 0.00 C
ATOM 621 HA ALA A 43 25.511 -7.809 -3.534 1.00 0.00 H
ATOM 622 CB ALA A 43 23.449 -7.336 -3.607 1.00 0.00 C
ATOM 623 HB1 ALA A 43 23.389 -7.450 -4.690 1.00 0.00 H
ATOM 624 HB2 ALA A 43 23.158 -8.270 -3.127 1.00 0.00 H
ATOM 625 HB3 ALA A 43 22.777 -6.539 -3.288 1.00 0.00 H
ATOM 626 C ALA A 43 25.287 -5.714 -3.878 1.00 0.00 C
ATOM 627 O ALA A 43 24.809 -4.638 -3.503 1.00 0.00 O
ATOM 628 N VAL A 44 26.220 -5.828 -4.818 1.00 0.00 N
ATOM 629 H VAL A 44 26.549 -6.742 -5.095 1.00 0.00 H
ATOM 630 CA VAL A 44 26.808 -4.673 -5.486 1.00 0.00 C
ATOM 631 HA VAL A 44 26.336 -3.762 -5.120 1.00 0.00 H
ATOM 632 CB VAL A 44 28.294 -4.435 -5.033 1.00 0.00 C
ATOM 633 HB VAL A 44 28.698 -3.568 -5.555 1.00 0.00 H
ATOM 634 CG1 VAL A 44 28.400 -4.268 -3.522 1.00 0.00 C
ATOM 635 1HG1 VAL A 44 29.442 -4.105 -3.246 1.00 0.00 H
ATOM 636 2HG1 VAL A 44 27.803 -3.411 -3.208 1.00 0.00 H
ATOM 637 3HG1 VAL A 44 28.031 -5.167 -3.029 1.00 0.00 H
ATOM 638 CG2 VAL A 44 29.210 -5.569 -5.504 1.00 0.00 C
ATOM 639 1HG2 VAL A 44 30.230 -5.373 -5.174 1.00 0.00 H
ATOM 640 2HG2 VAL A 44 28.867 -6.513 -5.080 1.00 0.00 H
ATOM 641 3HG2 VAL A 44 29.186 -5.630 -6.592 1.00 0.00 H
ATOM 642 C VAL A 44 26.716 -4.800 -7.001 1.00 0.00 C
ATOM 643 O VAL A 44 26.858 -5.896 -7.517 1.00 0.00 O
ATOM 644 N GLY A 45 26.545 -3.664 -7.688 1.00 0.00 N
ATOM 645 H GLY A 45 26.378 -2.797 -7.198 1.00 0.00 H
ATOM 646 CA GLY A 45 26.586 -3.614 -9.147 1.00 0.00 C
ATOM 647 HA1 GLY A 45 25.777 -4.220 -9.555 1.00 0.00 H
ATOM 648 HA2 GLY A 45 26.471 -2.583 -9.479 1.00 0.00 H
ATOM 649 C GLY A 45 27.931 -4.164 -9.571 1.00 0.00 C
ATOM 650 O GLY A 45 28.956 -3.779 -9.006 1.00 0.00 O
ATOM 651 N ALA A 46 27.931 -5.139 -10.492 1.00 0.00 N
ATOM 652 H ALA A 46 27.059 -5.459 -10.889 1.00 0.00 H
ATOM 653 CA ALA A 46 29.180 -5.767 -10.951 1.00 0.00 C
ATOM 654 HA ALA A 46 30.032 -5.219 -10.548 1.00 0.00 H
ATOM 655 CB ALA A 46 29.306 -7.168 -10.370 1.00 0.00 C
ATOM 656 HB1 ALA A 46 30.233 -7.623 -10.716 1.00 0.00 H
ATOM 657 HB2 ALA A 46 29.313 -7.111 -9.282 1.00 0.00 H
ATOM 658 HB3 ALA A 46 28.460 -7.774 -10.696 1.00 0.00 H
ATOM 659 C ALA A 46 29.247 -5.819 -12.467 1.00 0.00 C
ATOM 660 O ALA A 46 30.008 -6.594 -13.038 1.00 0.00 O
ATOM 661 N ALA A 47 28.446 -4.980 -13.122 1.00 0.00 N
ATOM 662 H ALA A 47 27.833 -4.363 -12.608 1.00 0.00 H
ATOM 663 CA ALA A 47 28.394 -4.891 -14.577 1.00 0.00 C
ATOM 664 HA ALA A 47 29.386 -5.079 -14.988 1.00 0.00 H
ATOM 665 CB ALA A 47 27.451 -5.956 -15.141 1.00 0.00 C
ATOM 666 HB1 ALA A 47 27.423 -5.878 -16.228 1.00 0.00 H
ATOM 667 HB2 ALA A 47 27.809 -6.946 -14.858 1.00 0.00 H
ATOM 668 HB3 ALA A 47 26.449 -5.804 -14.740 1.00 0.00 H
ATOM 669 C ALA A 47 27.908 -3.499 -14.956 1.00 0.00 C
ATOM 670 O ALA A 47 27.200 -2.865 -14.165 1.00 0.00 O
ATOM 671 N PRO A 48 28.273 -2.987 -16.148 1.00 0.00 N
ATOM 672 CD PRO A 48 29.136 -3.582 -17.197 1.00 0.00 C
ATOM 673 HD1 PRO A 48 28.571 -4.333 -17.750 1.00 0.00 H
ATOM 674 HD2 PRO A 48 30.003 -4.050 -16.732 1.00 0.00 H
ATOM 675 CG PRO A 48 29.510 -2.408 -18.052 1.00 0.00 C
ATOM 676 HG1 PRO A 48 29.662 -2.702 -19.090 1.00 0.00 H
ATOM 677 HG2 PRO A 48 30.408 -1.914 -17.680 1.00 0.00 H
ATOM 678 CB PRO A 48 28.346 -1.466 -17.962 1.00 0.00 C
ATOM 679 HB1 PRO A 48 27.567 -1.718 -18.682 1.00 0.00 H
ATOM 680 HB2 PRO A 48 28.653 -0.430 -18.108 1.00 0.00 H
ATOM 681 CA PRO A 48 27.804 -1.643 -16.536 1.00 0.00 C
ATOM 682 HA PRO A 48 28.226 -0.901 -15.859 1.00 0.00 H
ATOM 683 C PRO A 48 26.287 -1.512 -16.501 1.00 0.00 C
ATOM 684 O PRO A 48 25.556 -2.450 -16.814 1.00 0.00 O
ATOM 685 N HIE A 49 25.827 -0.359 -16.054 1.00 0.00 N
ATOM 686 H HIE A 49 26.470 0.358 -15.749 1.00 0.00 H
ATOM 687 CA HIE A 49 24.409 -0.009 -15.956 1.00 0.00 C
ATOM 688 HA HIE A 49 23.844 -0.570 -16.700 1.00 0.00 H
ATOM 689 CB HIE A 49 23.851 -0.339 -14.547 1.00 0.00 C
ATOM 690 HB1 HIE A 49 24.025 -1.392 -14.324 1.00 0.00 H
ATOM 691 HB2 HIE A 49 24.355 0.277 -13.802 1.00 0.00 H
ATOM 692 CG HIE A 49 22.373 -0.096 -14.392 1.00 0.00 C
ATOM 693 ND1 HIE A 49 21.875 1.167 -14.128 1.00 0.00 N
ATOM 694 CE1 HIE A 49 20.560 1.044 -14.089 1.00 0.00 C
ATOM 695 HE1 HIE A 49 19.942 1.908 -13.891 1.00 0.00 H
ATOM 696 NE2 HIE A 49 20.186 -0.223 -14.318 1.00 0.00 N
ATOM 697 HE2 HIE A 49 19.285 -0.678 -14.352 1.00 0.00 H
ATOM 698 CD2 HIE A 49 21.333 -0.951 -14.537 1.00 0.00 C
ATOM 699 HD2 HIE A 49 21.516 -1.987 -14.781 1.00 0.00 H
ATOM 700 C HIE A 49 24.333 1.489 -16.221 1.00 0.00 C
ATOM 701 O HIE A 49 25.227 2.213 -15.791 1.00 0.00 O
ATOM 702 N PRO A 50 23.274 1.987 -16.908 1.00 0.00 N
ATOM 703 CD PRO A 50 22.134 1.259 -17.506 1.00 0.00 C
ATOM 704 HD1 PRO A 50 21.427 0.985 -16.723 1.00 0.00 H
ATOM 705 HD2 PRO A 50 22.496 0.357 -17.999 1.00 0.00 H
ATOM 706 CG PRO A 50 21.564 2.257 -18.475 1.00 0.00 C
ATOM 707 HG1 PRO A 50 20.497 2.105 -18.641 1.00 0.00 H
ATOM 708 HG2 PRO A 50 22.085 2.245 -19.432 1.00 0.00 H
ATOM 709 CB PRO A 50 21.781 3.574 -17.806 1.00 0.00 C
ATOM 710 HB1 PRO A 50 21.038 3.767 -17.032 1.00 0.00 H
ATOM 711 HB2 PRO A 50 21.786 4.399 -18.519 1.00 0.00 H
ATOM 712 CA PRO A 50 23.166 3.444 -17.165 1.00 0.00 C
ATOM 713 HA PRO A 50 23.958 3.754 -17.847 1.00 0.00 H
ATOM 714 C PRO A 50 23.270 4.354 -15.937 1.00 0.00 C
ATOM 715 O PRO A 50 23.718 5.499 -16.068 1.00 0.00 O
ATOM 716 N PHE A 51 22.838 3.869 -14.752 1.00 0.00 N
ATOM 717 H PHE A 51 22.505 2.918 -14.687 1.00 0.00 H
ATOM 718 CA PHE A 51 22.825 4.676 -13.520 1.00 0.00 C
ATOM 719 HA PHE A 51 22.669 5.724 -13.773 1.00 0.00 H
ATOM 720 CB PHE A 51 21.526 4.454 -12.736 1.00 0.00 C
ATOM 721 HB1 PHE A 51 21.460 3.411 -12.428 1.00 0.00 H
ATOM 722 HB2 PHE A 51 21.519 5.095 -11.854 1.00 0.00 H
ATOM 723 CG PHE A 51 20.244 4.754 -13.484 1.00 0.00 C
ATOM 724 CD1 PHE A 51 19.015 4.358 -12.973 1.00 0.00 C
ATOM 725 HD1 PHE A 51 18.966 3.831 -12.032 1.00 0.00 H
ATOM 726 CE1 PHE A 51 17.833 4.631 -13.664 1.00 0.00 C
ATOM 727 HE1 PHE A 51 16.886 4.302 -13.264 1.00 0.00 H
ATOM 728 CZ PHE A 51 17.877 5.321 -14.857 1.00 0.00 C
ATOM 729 HZ PHE A 51 16.962 5.541 -15.387 1.00 0.00 H
ATOM 730 CE2 PHE A 51 19.083 5.730 -15.374 1.00 0.00 C
ATOM 731 HE2 PHE A 51 19.117 6.257 -16.316 1.00 0.00 H
ATOM 732 CD2 PHE A 51 20.265 5.464 -14.681 1.00 0.00 C
ATOM 733 HD2 PHE A 51 21.203 5.815 -15.085 1.00 0.00 H
ATOM 734 C PHE A 51 24.035 4.505 -12.601 1.00 0.00 C
ATOM 735 O PHE A 51 24.060 5.066 -11.511 1.00 0.00 O
ATOM 736 N LEU A 52 25.020 3.730 -13.029 1.00 0.00 N
ATOM 737 H LEU A 52 24.956 3.284 -13.933 1.00 0.00 H
ATOM 738 CA LEU A 52 26.221 3.487 -12.234 1.00 0.00 C
ATOM 739 HA LEU A 52 26.100 3.933 -11.246 1.00 0.00 H
ATOM 740 CB LEU A 52 26.463 1.971 -12.078 1.00 0.00 C
ATOM 741 HB1 LEU A 52 26.536 1.511 -13.063 1.00 0.00 H
ATOM 742 HB2 LEU A 52 27.390 1.805 -11.530 1.00 0.00 H
ATOM 743 CG LEU A 52 25.430 1.130 -11.341 1.00 0.00 C
ATOM 744 HG LEU A 52 24.442 1.313 -11.765 1.00 0.00 H
ATOM 745 CD1 LEU A 52 25.792 -0.337 -11.435 1.00 0.00 C
ATOM 746 1HD1 LEU A 52 25.048 -0.931 -10.905 1.00 0.00 H
ATOM 747 2HD1 LEU A 52 25.818 -0.639 -12.482 1.00 0.00 H
ATOM 748 3HD1 LEU A 52 26.772 -0.499 -10.986 1.00 0.00 H
ATOM 749 CD2 LEU A 52 25.316 1.539 -9.872 1.00 0.00 C
ATOM 750 1HD2 LEU A 52 24.570 0.918 -9.378 1.00 0.00 H
ATOM 751 2HD2 LEU A 52 26.281 1.407 -9.382 1.00 0.00 H
ATOM 752 3HD2 LEU A 52 25.017 2.586 -9.808 1.00 0.00 H
ATOM 753 C LEU A 52 27.428 4.110 -12.920 1.00 0.00 C
ATOM 754 O LEU A 52 27.619 3.879 -14.115 1.00 0.00 O
ATOM 755 N HIE A 53 28.253 4.876 -12.188 1.00 0.00 N
ATOM 756 H HIE A 53 28.027 5.085 -11.226 1.00 0.00 H
ATOM 757 CA HIE A 53 29.478 5.400 -12.805 1.00 0.00 C
ATOM 758 HA HIE A 53 29.330 5.499 -13.880 1.00 0.00 H
ATOM 759 CB HIE A 53 29.689 6.907 -12.568 1.00 0.00 C
ATOM 760 HB1 HIE A 53 30.587 7.235 -13.092 1.00 0.00 H
ATOM 761 HB2 HIE A 53 28.828 7.458 -12.945 1.00 0.00 H
ATOM 762 CG HIE A 53 29.858 7.288 -11.129 1.00 0.00 C
ATOM 763 ND1 HIE A 53 28.770 7.584 -10.336 1.00 0.00 N
ATOM 764 CE1 HIE A 53 29.259 7.892 -9.145 1.00 0.00 C
ATOM 765 HE1 HIE A 53 28.592 8.170 -8.343 1.00 0.00 H
ATOM 766 NE2 HIE A 53 30.596 7.800 -9.131 1.00 0.00 N
ATOM 767 HE2 HIE A 53 31.288 7.947 -8.410 1.00 0.00 H
ATOM 768 CD2 HIE A 53 30.989 7.427 -10.395 1.00 0.00 C
ATOM 769 HD2 HIE A 53 31.952 7.246 -10.849 1.00 0.00 H
ATOM 770 C HIE A 53 30.685 4.551 -12.382 1.00 0.00 C
ATOM 771 O HIE A 53 31.799 4.795 -12.817 1.00 0.00 O
ATOM 772 N ARG A 54 30.437 3.531 -11.540 1.00 0.00 N
ATOM 773 H ARG A 54 29.509 3.401 -11.163 1.00 0.00 H
ATOM 774 CA ARG A 54 31.427 2.551 -11.101 1.00 0.00 C
ATOM 775 HA ARG A 54 32.157 2.391 -11.894 1.00 0.00 H
ATOM 776 CB ARG A 54 32.413 3.115 -10.069 1.00 0.00 C
ATOM 777 HB1 ARG A 54 33.220 2.400 -9.907 1.00 0.00 H
ATOM 778 HB2 ARG A 54 32.829 4.053 -10.438 1.00 0.00 H
ATOM 779 CG ARG A 54 31.841 3.412 -8.722 1.00 0.00 C
ATOM 780 HG1 ARG A 54 30.901 3.953 -8.838 1.00 0.00 H
ATOM 781 HG2 ARG A 54 31.659 2.479 -8.190 1.00 0.00 H
ATOM 782 CD ARG A 54 32.797 4.258 -7.920 1.00 0.00 C
ATOM 783 HD1 ARG A 54 33.703 3.687 -7.716 1.00 0.00 H
ATOM 784 HD2 ARG A 54 33.052 5.154 -8.485 1.00 0.00 H
ATOM 785 NE ARG A 54 32.141 4.621 -6.673 1.00 0.00 N
ATOM 786 HE ARG A 54 31.161 4.383 -6.624 1.00 0.00 H
ATOM 787 CZ ARG A 54 32.728 5.215 -5.651 1.00 0.00 C
ATOM 788 NH1 ARG A 54 34.014 5.544 -5.713 1.00 0.00 N
ATOM 789 1HH1 ARG A 54 34.549 5.339 -6.545 1.00 0.00 H
ATOM 790 2HH1 ARG A 54 34.457 5.998 -4.927 1.00 0.00 H
ATOM 791 NH2 ARG A 54 32.040 5.487 -4.557 1.00 0.00 N
ATOM 792 1HH2 ARG A 54 31.062 5.240 -4.501 1.00 0.00 H
ATOM 793 2HH2 ARG A 54 32.492 5.942 -3.777 1.00 0.00 H
ATOM 794 C ARG A 54 30.749 1.289 -10.616 1.00 0.00 C
ATOM 795 O ARG A 54 29.557 1.298 -10.279 1.00 0.00 O
ATOM 796 N TYR A 55 31.504 0.193 -10.611 1.00 0.00 N
ATOM 797 H TYR A 55 32.470 0.243 -10.902 1.00 0.00 H
ATOM 798 CA TYR A 55 30.984 -1.094 -10.196 1.00 0.00 C
ATOM 799 HA TYR A 55 30.274 -0.954 -9.381 1.00 0.00 H
ATOM 800 CB TYR A 55 30.044 -1.686 -11.272 1.00 0.00 C
ATOM 801 HB1 TYR A 55 29.645 -2.638 -10.922 1.00 0.00 H
ATOM 802 HB2 TYR A 55 29.222 -0.995 -11.458 1.00 0.00 H
ATOM 803 CG TYR A 55 30.714 -1.947 -12.599 1.00 0.00 C
ATOM 804 CD1 TYR A 55 31.388 -3.141 -12.840 1.00 0.00 C
ATOM 805 HD1 TYR A 55 31.429 -3.902 -12.075 1.00 0.00 H
ATOM 806 CE1 TYR A 55 32.018 -3.383 -14.055 1.00 0.00 C
ATOM 807 HE1 TYR A 55 32.539 -4.315 -14.217 1.00 0.00 H
ATOM 808 CZ TYR A 55 31.972 -2.422 -15.050 1.00 0.00 C
ATOM 809 OH TYR A 55 32.565 -2.667 -16.264 1.00 0.00 O
ATOM 810 HH TYR A 55 32.444 -1.907 -16.838 1.00 0.00 H
ATOM 811 CE2 TYR A 55 31.298 -1.232 -14.836 1.00 0.00 C
ATOM 812 HE2 TYR A 55 31.257 -0.483 -15.614 1.00 0.00 H
ATOM 813 CD2 TYR A 55 30.674 -1.001 -13.617 1.00 0.00 C
ATOM 814 HD2 TYR A 55 30.152 -0.067 -13.466 1.00 0.00 H
ATOM 815 C TYR A 55 32.128 -2.025 -9.845 1.00 0.00 C
ATOM 816 O TYR A 55 33.298 -1.737 -10.158 1.00 0.00 O
ATOM 817 N TYR A 56 31.794 -3.102 -9.135 1.00 0.00 N
ATOM 818 H TYR A 56 30.831 -3.256 -8.874 1.00 0.00 H
ATOM 819 CA TYR A 56 32.744 -4.113 -8.688 1.00 0.00 C
ATOM 820 HA TYR A 56 33.566 -3.631 -8.158 1.00 0.00 H
ATOM 821 CB TYR A 56 32.041 -4.984 -7.635 1.00 0.00 C
ATOM 822 HB1 TYR A 56 31.809 -4.379 -6.759 1.00 0.00 H
ATOM 823 HB2 TYR A 56 31.118 -5.386 -8.053 1.00 0.00 H
ATOM 824 CG TYR A 56 32.784 -6.189 -7.094 1.00 0.00 C
ATOM 825 CD1 TYR A 56 34.136 -6.113 -6.760 1.00 0.00 C
ATOM 826 HD1 TYR A 56 34.683 -5.197 -6.928 1.00 0.00 H
ATOM 827 CE1 TYR A 56 34.804 -7.207 -6.206 1.00 0.00 C
ATOM 828 HE1 TYR A 56 35.869 -7.156 -6.029 1.00 0.00 H
ATOM 829 CZ TYR A 56 34.095 -8.351 -5.889 1.00 0.00 C
ATOM 830 OH TYR A 56 34.716 -9.430 -5.312 1.00 0.00 O
ATOM 831 HH TYR A 56 35.573 -9.163 -4.971 1.00 0.00 H
ATOM 832 CE2 TYR A 56 32.743 -8.432 -6.167 1.00 0.00 C
ATOM 833 HE2 TYR A 56 32.193 -9.334 -5.945 1.00 0.00 H
ATOM 834 CD2 TYR A 56 32.093 -7.344 -6.736 1.00 0.00 C
ATOM 835 HD2 TYR A 56 31.027 -7.408 -6.900 1.00 0.00 H
ATOM 836 C TYR A 56 33.249 -4.929 -9.867 1.00 0.00 C
ATOM 837 O TYR A 56 32.453 -5.529 -10.585 1.00 0.00 O
ATOM 838 N GLN A 57 34.578 -4.962 -10.047 1.00 0.00 N
ATOM 839 H GLN A 57 35.186 -4.460 -9.416 1.00 0.00 H
ATOM 840 CA GLN A 57 35.239 -5.704 -11.135 1.00 0.00 C
ATOM 841 HA GLN A 57 34.495 -6.018 -11.866 1.00 0.00 H
ATOM 842 CB GLN A 57 36.164 -4.767 -11.921 1.00 0.00 C
ATOM 843 HB1 GLN A 57 36.906 -4.339 -11.248 1.00 0.00 H
ATOM 844 HB2 GLN A 57 36.668 -5.329 -12.707 1.00 0.00 H
ATOM 845 CG GLN A 57 35.388 -3.618 -12.576 1.00 0.00 C
ATOM 846 HG1 GLN A 57 34.606 -4.025 -13.217 1.00 0.00 H
ATOM 847 HG2 GLN A 57 34.936 -2.997 -11.802 1.00 0.00 H
ATOM 848 CD GLN A 57 36.262 -2.733 -13.423 1.00 0.00 C
ATOM 849 OE1 GLN A 57 36.491 -3.131 -14.653 1.00 0.00 O
ATOM 850 NE2 GLN A 57 36.731 -1.689 -12.985 1.00 0.00 N
ATOM 851 1HE2 GLN A 57 36.533 -1.406 -12.036 1.00 0.00 H
ATOM 852 2HE2 GLN A 57 37.315 -1.112 -13.573 1.00 0.00 H
ATOM 853 C GLN A 57 35.987 -6.873 -10.533 1.00 0.00 C
ATOM 854 O GLN A 57 37.120 -6.738 -10.064 1.00 0.00 O
ATOM 855 N ARG A 58 35.303 -8.018 -10.473 1.00 0.00 N
ATOM 856 H ARG A 58 34.377 -8.074 -10.871 1.00 0.00 H
ATOM 857 CA ARG A 58 35.831 -9.231 -9.848 1.00 0.00 C
ATOM 858 HA ARG A 58 35.912 -9.080 -8.771 1.00 0.00 H
ATOM 859 CB ARG A 58 34.812 -10.355 -9.953 1.00 0.00 C
ATOM 860 HB1 ARG A 58 34.484 -10.453 -10.987 1.00 0.00 H
ATOM 861 HB2 ARG A 58 35.266 -11.290 -9.625 1.00 0.00 H
ATOM 862 CG ARG A 58 33.587 -10.081 -9.081 1.00 0.00 C
ATOM 863 HG1 ARG A 58 33.845 -10.231 -8.033 1.00 0.00 H
ATOM 864 HG2 ARG A 58 33.257 -9.053 -9.230 1.00 0.00 H
ATOM 865 CD ARG A 58 32.441 -10.994 -9.417 1.00 0.00 C
ATOM 866 HD1 ARG A 58 32.802 -12.020 -9.486 1.00 0.00 H
ATOM 867 HD2 ARG A 58 31.683 -10.928 -8.636 1.00 0.00 H
ATOM 868 NE ARG A 58 31.816 -10.640 -10.694 1.00 0.00 N
ATOM 869 HE ARG A 58 32.074 -9.742 -11.079 1.00 0.00 H
ATOM 870 CZ ARG A 58 30.960 -11.419 -11.343 1.00 0.00 C
ATOM 871 NH1 ARG A 58 30.618 -12.602 -10.845 1.00 0.00 N
ATOM 872 1HH1 ARG A 58 31.011 -12.914 -9.968 1.00 0.00 H
ATOM 873 2HH1 ARG A 58 29.966 -13.190 -11.344 1.00 0.00 H
ATOM 874 NH2 ARG A 58 30.434 -11.020 -12.487 1.00 0.00 N
ATOM 875 1HH2 ARG A 58 30.682 -10.119 -12.870 1.00 0.00 H
ATOM 876 2HH2 ARG A 58 29.782 -11.615 -12.978 1.00 0.00 H
ATOM 877 C ARG A 58 37.171 -9.686 -10.421 1.00 0.00 C
ATOM 878 O ARG A 58 38.012 -10.173 -9.670 1.00 0.00 O
ATOM 879 N GLN A 59 37.380 -9.484 -11.737 1.00 0.00 N
ATOM 880 H GLN A 59 36.668 -9.040 -12.299 1.00 0.00 H
ATOM 881 CA GLN A 59 38.622 -9.881 -12.424 1.00 0.00 C
ATOM 882 HA GLN A 59 38.776 -10.954 -12.305 1.00 0.00 H
ATOM 883 CB GLN A 59 38.422 -9.862 -13.959 1.00 0.00 C
ATOM 884 HB1 GLN A 59 39.207 -10.449 -14.436 1.00 0.00 H
ATOM 885 HB2 GLN A 59 37.450 -10.288 -14.205 1.00 0.00 H
ATOM 886 CG GLN A 59 38.464 -8.469 -14.609 1.00 0.00 C
ATOM 887 HG1 GLN A 59 39.248 -7.873 -14.142 1.00 0.00 H
ATOM 888 HG2 GLN A 59 38.671 -8.571 -15.674 1.00 0.00 H
ATOM 889 CD GLN A 59 37.192 -7.647 -14.504 1.00 0.00 C
ATOM 890 OE1 GLN A 59 36.324 -7.842 -13.630 1.00 0.00 O
ATOM 891 NE2 GLN A 59 37.075 -6.676 -15.400 1.00 0.00 N
ATOM 892 1HE2 GLN A 59 37.804 -6.529 -16.083 1.00 0.00 H
ATOM 893 2HE2 GLN A 59 36.257 -6.083 -15.398 1.00 0.00 H
ATOM 894 C GLN A 59 39.843 -9.060 -11.993 1.00 0.00 C
ATOM 895 O GLN A 59 40.977 -9.431 -12.298 1.00 0.00 O
ATOM 896 N LEU A 60 39.608 -7.921 -11.318 1.00 0.00 N
ATOM 897 H LEU A 60 38.659 -7.628 -11.137 1.00 0.00 H
ATOM 898 CA LEU A 60 40.684 -7.060 -10.818 1.00 0.00 C
ATOM 899 HA LEU A 60 41.575 -7.199 -11.430 1.00 0.00 H
ATOM 900 CB LEU A 60 40.321 -5.576 -11.039 1.00 0.00 C
ATOM 901 HB1 LEU A 60 39.389 -5.348 -10.523 1.00 0.00 H
ATOM 902 HB2 LEU A 60 41.117 -4.944 -10.646 1.00 0.00 H
ATOM 903 CG LEU A 60 40.124 -5.172 -12.497 1.00 0.00 C
ATOM 904 HG LEU A 60 39.299 -5.743 -12.923 1.00 0.00 H
ATOM 905 CD1 LEU A 60 39.872 -3.711 -12.607 1.00 0.00 C
ATOM 906 1HD1 LEU A 60 39.734 -3.443 -13.655 1.00 0.00 H
ATOM 907 2HD1 LEU A 60 38.974 -3.452 -12.045 1.00 0.00 H
ATOM 908 3HD1 LEU A 60 40.723 -3.163 -12.202 1.00 0.00 H
ATOM 909 CD2 LEU A 60 41.330 -5.559 -13.345 1.00 0.00 C
ATOM 910 1HD2 LEU A 60 41.159 -5.259 -14.379 1.00 0.00 H
ATOM 911 2HD2 LEU A 60 42.219 -5.058 -12.963 1.00 0.00 H
ATOM 912 3HD2 LEU A 60 41.475 -6.639 -13.300 1.00 0.00 H
ATOM 913 C LEU A 60 40.998 -7.313 -9.347 1.00 0.00 C
ATOM 914 O LEU A 60 41.919 -6.695 -8.798 1.00 0.00 O
ATOM 915 N SER A 61 40.253 -8.234 -8.708 1.00 0.00 N
ATOM 916 H SER A 61 39.531 -8.734 -9.208 1.00 0.00 H
ATOM 917 CA SER A 61 40.474 -8.522 -7.298 1.00 0.00 C
ATOM 918 HA SER A 61 41.025 -7.700 -6.841 1.00 0.00 H
ATOM 919 CB SER A 61 39.163 -8.554 -6.515 1.00 0.00 C
ATOM 920 HB1 SER A 61 38.695 -7.571 -6.549 1.00 0.00 H
ATOM 921 HB2 SER A 61 38.492 -9.290 -6.959 1.00 0.00 H
ATOM 922 OG SER A 61 39.484 -8.911 -5.176 1.00 0.00 O
ATOM 923 HG SER A 61 38.678 -9.123 -4.699 1.00 0.00 H
ATOM 924 C SER A 61 41.206 -9.828 -7.134 1.00 0.00 C
ATOM 925 O SER A 61 40.680 -10.862 -7.505 1.00 0.00 O
ATOM 926 N SER A 62 42.401 -9.790 -6.548 1.00 0.00 N
ATOM 927 H SER A 62 42.781 -8.910 -6.232 1.00 0.00 H
ATOM 928 CA SER A 62 43.190 -11.016 -6.349 1.00 0.00 C
ATOM 929 HA SER A 62 43.290 -11.543 -7.298 1.00 0.00 H
ATOM 930 CB SER A 62 44.615 -10.661 -5.945 1.00 0.00 C
ATOM 931 HB1 SER A 62 45.202 -11.573 -5.842 1.00 0.00 H
ATOM 932 HB2 SER A 62 45.062 -10.025 -6.709 1.00 0.00 H
ATOM 933 OG SER A 62 44.622 -9.968 -4.709 1.00 0.00 O
ATOM 934 HG SER A 62 44.174 -9.125 -4.811 1.00 0.00 H
ATOM 935 C SER A 62 42.562 -11.946 -5.289 1.00 0.00 C
ATOM 936 O SER A 62 42.879 -13.127 -5.251 1.00 0.00 O
ATOM 937 N THR A 63 41.710 -11.387 -4.408 1.00 0.00 N
ATOM 938 H THR A 63 41.477 -10.407 -4.485 1.00 0.00 H
ATOM 939 CA THR A 63 41.067 -12.111 -3.301 1.00 0.00 C
ATOM 940 HA THR A 63 41.725 -12.909 -2.958 1.00 0.00 H
ATOM 941 CB THR A 63 41.196 -11.304 -1.999 1.00 0.00 C
ATOM 942 HB THR A 63 40.562 -11.749 -1.231 1.00 0.00 H
ATOM 943 CG2 THR A 63 42.622 -11.279 -1.490 1.00 0.00 C
ATOM 944 1HG2 THR A 63 42.669 -10.699 -0.568 1.00 0.00 H
ATOM 945 2HG2 THR A 63 42.956 -12.298 -1.295 1.00 0.00 H
ATOM 946 3HG2 THR A 63 43.268 -10.822 -2.239 1.00 0.00 H
ATOM 947 OG1 THR A 63 40.781 -9.960 -2.239 1.00 0.00 O
ATOM 948 HG1 THR A 63 39.916 -9.962 -2.656 1.00 0.00 H
ATOM 949 C THR A 63 39.654 -12.558 -3.609 1.00 0.00 C
ATOM 950 O THR A 63 38.992 -13.163 -2.761 1.00 0.00 O
ATOM 951 N TYR A 64 39.185 -12.273 -4.828 1.00 0.00 N
ATOM 952 H TYR A 64 39.757 -11.755 -5.480 1.00 0.00 H
ATOM 953 CA TYR A 64 37.853 -12.696 -5.243 1.00 0.00 C
ATOM 954 HA TYR A 64 37.110 -12.271 -4.568 1.00 0.00 H
ATOM 955 CB TYR A 64 37.507 -12.142 -6.632 1.00 0.00 C
ATOM 956 HB1 TYR A 64 37.285 -11.078 -6.554 1.00 0.00 H
ATOM 957 HB2 TYR A 64 38.354 -12.288 -7.302 1.00 0.00 H
ATOM 958 CG TYR A 64 36.304 -12.825 -7.245 1.00 0.00 C
ATOM 959 CD1 TYR A 64 35.026 -12.653 -6.709 1.00 0.00 C
ATOM 960 HD1 TYR A 64 34.882 -12.009 -5.854 1.00 0.00 H
ATOM 961 CE1 TYR A 64 33.921 -13.301 -7.258 1.00 0.00 C
ATOM 962 HE1 TYR A 64 32.941 -13.156 -6.828 1.00 0.00 H
ATOM 963 CZ TYR A 64 34.091 -14.133 -8.358 1.00 0.00 C
ATOM 964 OH TYR A 64 33.016 -14.753 -8.951 1.00 0.00 O
ATOM 965 HH TYR A 64 33.320 -15.284 -9.691 1.00 0.00 H
ATOM 966 CE2 TYR A 64 35.345 -14.304 -8.916 1.00 0.00 C
ATOM 967 HE2 TYR A 64 35.472 -14.937 -9.781 1.00 0.00 H
ATOM 968 CD2 TYR A 64 36.443 -13.659 -8.358 1.00 0.00 C
ATOM 969 HD2 TYR A 64 37.416 -13.811 -8.801 1.00 0.00 H
ATOM 970 C TYR A 64 37.767 -14.223 -5.252 1.00 0.00 C
ATOM 971 O TYR A 64 38.700 -14.871 -5.714 1.00 0.00 O
ATOM 972 N ARG A 65 36.663 -14.785 -4.726 1.00 0.00 N
ATOM 973 H ARG A 65 35.949 -14.203 -4.312 1.00 0.00 H
ATOM 974 CA ARG A 65 36.429 -16.233 -4.719 1.00 0.00 C
ATOM 975 HA ARG A 65 37.181 -16.726 -5.335 1.00 0.00 H
ATOM 976 CB ARG A 65 36.516 -16.782 -3.291 1.00 0.00 C
ATOM 977 HB1 ARG A 65 35.960 -16.131 -2.616 1.00 0.00 H
ATOM 978 HB2 ARG A 65 36.090 -17.785 -3.261 1.00 0.00 H
ATOM 979 CG ARG A 65 37.924 -16.877 -2.764 1.00 0.00 C
ATOM 980 HG1 ARG A 65 38.481 -17.612 -3.345 1.00 0.00 H
ATOM 981 HG2 ARG A 65 38.410 -15.905 -2.847 1.00 0.00 H
ATOM 982 CD ARG A 65 37.861 -17.303 -1.315 1.00 0.00 C
ATOM 983 HD1 ARG A 65 37.318 -16.553 -0.739 1.00 0.00 H
ATOM 984 HD2 ARG A 65 37.347 -18.261 -1.239 1.00 0.00 H
ATOM 985 NE ARG A 65 39.179 -17.460 -0.700 1.00 0.00 N
ATOM 986 HE ARG A 65 39.978 -17.247 -1.279 1.00 0.00 H
ATOM 987 CZ ARG A 65 39.355 -17.860 0.553 1.00 0.00 C
ATOM 988 NH1 ARG A 65 38.311 -18.152 1.316 1.00 0.00 N
ATOM 989 1HH1 ARG A 65 37.375 -18.071 0.944 1.00 0.00 H
ATOM 990 2HH1 ARG A 65 38.451 -18.456 2.269 1.00 0.00 H
ATOM 991 NH2 ARG A 65 40.577 -17.997 1.047 1.00 0.00 N
ATOM 992 1HH2 ARG A 65 41.381 -17.798 0.468 1.00 0.00 H
ATOM 993 2HH2 ARG A 65 40.705 -18.302 2.001 1.00 0.00 H
ATOM 994 C ARG A 65 35.036 -16.468 -5.285 1.00 0.00 C
ATOM 995 O ARG A 65 34.049 -15.898 -4.790 1.00 0.00 O
ATOM 996 N ASP A 66 34.951 -17.273 -6.334 1.00 0.00 N
ATOM 997 H ASP A 66 35.781 -17.719 -6.697 1.00 0.00 H
ATOM 998 CA ASP A 66 33.672 -17.539 -6.988 1.00 0.00 C
ATOM 999 HA ASP A 66 33.057 -16.639 -6.963 1.00 0.00 H
ATOM 1000 CB ASP A 66 33.915 -17.849 -8.476 1.00 0.00 C
ATOM 1001 HB1 ASP A 66 34.496 -17.044 -8.925 1.00 0.00 H
ATOM 1002 HB2 ASP A 66 34.463 -18.787 -8.567 1.00 0.00 H
ATOM 1003 CG ASP A 66 32.677 -18.004 -9.343 1.00 0.00 C
ATOM 1004 OD1 ASP A 66 31.547 -17.930 -8.803 1.00 0.00 O
ATOM 1005 OD2 ASP A 66 32.836 -18.221 -10.551 1.00 0.00 O
ATOM 1006 C ASP A 66 32.955 -18.696 -6.306 1.00 0.00 C
ATOM 1007 O ASP A 66 33.518 -19.778 -6.209 1.00 0.00 O
ATOM 1008 N LEU A 67 31.722 -18.478 -5.845 1.00 0.00 N
ATOM 1009 H LEU A 67 31.304 -17.563 -5.935 1.00 0.00 H
ATOM 1010 CA LEU A 67 30.912 -19.515 -5.198 1.00 0.00 C
ATOM 1011 HA LEU A 67 31.533 -20.081 -4.503 1.00 0.00 H
ATOM 1012 CB LEU A 67 29.935 -18.913 -4.159 1.00 0.00 C
ATOM 1013 HB1 LEU A 67 29.430 -18.050 -4.593 1.00 0.00 H
ATOM 1014 HB2 LEU A 67 29.196 -19.663 -3.878 1.00 0.00 H
ATOM 1015 CG LEU A 67 30.584 -18.429 -2.854 1.00 0.00 C
ATOM 1016 HG LEU A 67 31.444 -17.800 -3.086 1.00 0.00 H
ATOM 1017 CD1 LEU A 67 29.554 -17.670 -1.978 1.00 0.00 C
ATOM 1018 1HD1 LEU A 67 30.035 -17.336 -1.058 1.00 0.00 H
ATOM 1019 2HD1 LEU A 67 29.178 -16.806 -2.525 1.00 0.00 H
ATOM 1020 3HD1 LEU A 67 28.725 -18.334 -1.733 1.00 0.00 H
ATOM 1021 CD2 LEU A 67 31.179 -19.585 -2.087 1.00 0.00 C
ATOM 1022 1HD2 LEU A 67 31.633 -19.217 -1.167 1.00 0.00 H
ATOM 1023 2HD2 LEU A 67 30.395 -20.302 -1.843 1.00 0.00 H
ATOM 1024 3HD2 LEU A 67 31.940 -20.073 -2.696 1.00 0.00 H
ATOM 1025 C LEU A 67 30.172 -20.420 -6.211 1.00 0.00 C
ATOM 1026 O LEU A 67 29.586 -21.428 -5.812 1.00 0.00 O
ATOM 1027 N ARG A 68 30.228 -20.065 -7.510 1.00 0.00 N
ATOM 1028 H ARG A 68 30.713 -19.222 -7.783 1.00 0.00 H
ATOM 1029 CA ARG A 68 29.628 -20.813 -8.637 1.00 0.00 C
ATOM 1030 HA ARG A 68 29.813 -20.278 -9.568 1.00 0.00 H
ATOM 1031 CB ARG A 68 30.338 -22.166 -8.846 1.00 0.00 C
ATOM 1032 HB1 ARG A 68 30.163 -22.806 -7.981 1.00 0.00 H
ATOM 1033 HB2 ARG A 68 29.945 -22.650 -9.740 1.00 0.00 H
ATOM 1034 CG ARG A 68 31.823 -22.070 -9.022 1.00 0.00 C
ATOM 1035 HG1 ARG A 68 32.045 -21.558 -9.958 1.00 0.00 H
ATOM 1036 HG2 ARG A 68 32.252 -21.509 -8.191 1.00 0.00 H
ATOM 1037 CD ARG A 68 32.405 -23.458 -9.052 1.00 0.00 C
ATOM 1038 HD1 ARG A 68 32.042 -24.024 -8.193 1.00 0.00 H
ATOM 1039 HD2 ARG A 68 32.103 -23.960 -9.971 1.00 0.00 H
ATOM 1040 NE ARG A 68 33.863 -23.433 -9.001 1.00 0.00 N
ATOM 1041 HE ARG A 68 34.289 -22.518 -9.012 1.00 0.00 H
ATOM 1042 CZ ARG A 68 34.624 -24.519 -8.943 1.00 0.00 C
ATOM 1043 NH1 ARG A 68 34.073 -25.724 -8.919 1.00 0.00 N
ATOM 1044 1HH1 ARG A 68 33.068 -25.821 -8.946 1.00 0.00 H
ATOM 1045 2HH1 ARG A 68 34.659 -26.546 -8.875 1.00 0.00 H
ATOM 1046 NH2 ARG A 68 35.940 -24.411 -8.924 1.00 0.00 N
ATOM 1047 1HH2 ARG A 68 36.372 -23.499 -8.953 1.00 0.00 H
ATOM 1048 2HH2 ARG A 68 36.514 -25.241 -8.879 1.00 0.00 H
ATOM 1049 C ARG A 68 28.129 -21.041 -8.436 1.00 0.00 C
ATOM 1050 O ARG A 68 27.621 -22.152 -8.615 1.00 0.00 O
ATOM 1051 N LYS A 69 27.424 -19.988 -8.055 1.00 0.00 N
ATOM 1052 H LYS A 69 27.877 -19.093 -7.938 1.00 0.00 H
ATOM 1053 CA LYS A 69 26.002 -20.069 -7.796 1.00 0.00 C
ATOM 1054 HA LYS A 69 25.555 -20.820 -8.447 1.00 0.00 H
ATOM 1055 CB LYS A 69 25.761 -20.394 -6.308 1.00 0.00 C
ATOM 1056 HB1 LYS A 69 26.464 -21.162 -5.985 1.00 0.00 H
ATOM 1057 HB2 LYS A 69 25.908 -19.494 -5.711 1.00 0.00 H
ATOM 1058 CG LYS A 69 24.344 -20.910 -6.041 1.00 0.00 C
ATOM 1059 HG1 LYS A 69 23.636 -20.368 -6.668 1.00 0.00 H
ATOM 1060 HG2 LYS A 69 24.295 -21.974 -6.274 1.00 0.00 H
ATOM 1061 CD LYS A 69 23.873 -20.750 -4.598 1.00 0.00 C
ATOM 1062 HD1 LYS A 69 23.798 -19.690 -4.355 1.00 0.00 H
ATOM 1063 HD2 LYS A 69 22.896 -21.219 -4.480 1.00 0.00 H
ATOM 1064 CE LYS A 69 24.796 -21.376 -3.598 1.00 0.00 C
ATOM 1065 HE1 LYS A 69 24.974 -22.417 -3.869 1.00 0.00 H
ATOM 1066 HE2 LYS A 69 25.743 -20.837 -3.589 1.00 0.00 H
ATOM 1067 NZ LYS A 69 24.236 -21.347 -2.224 1.00 0.00 N
ATOM 1068 HZ1 LYS A 69 24.988 -21.407 -1.552 1.00 0.00 H
ATOM 1069 HZ2 LYS A 69 23.729 -20.485 -2.085 1.00 0.00 H
ATOM 1070 HZ3 LYS A 69 23.610 -22.130 -2.098 1.00 0.00 H
ATOM 1071 C LYS A 69 25.378 -18.720 -8.106 1.00 0.00 C
ATOM 1072 O LYS A 69 25.917 -17.691 -7.722 1.00 0.00 O
ATOM 1073 N GLY A 70 24.222 -18.758 -8.752 1.00 0.00 N
ATOM 1074 H GLY A 70 23.832 -19.645 -9.036 1.00 0.00 H
ATOM 1075 CA GLY A 70 23.459 -17.572 -9.088 1.00 0.00 C
ATOM 1076 HA1 GLY A 70 24.135 -16.725 -9.204 1.00 0.00 H
ATOM 1077 HA2 GLY A 70 22.921 -17.738 -10.022 1.00 0.00 H
ATOM 1078 C GLY A 70 22.464 -17.260 -7.999 1.00 0.00 C
ATOM 1079 O GLY A 70 22.167 -18.107 -7.162 1.00 0.00 O
ATOM 1080 N VAL A 71 21.983 -16.029 -7.979 1.00 0.00 N
ATOM 1081 H VAL A 71 22.303 -15.351 -8.656 1.00 0.00 H
ATOM 1082 CA VAL A 71 20.982 -15.555 -7.014 1.00 0.00 C
ATOM 1083 HA VAL A 71 20.582 -16.403 -6.458 1.00 0.00 H
ATOM 1084 CB VAL A 71 21.601 -14.861 -5.753 1.00 0.00 C
ATOM 1085 HB VAL A 71 22.158 -15.595 -5.171 1.00 0.00 H
ATOM 1086 CG1 VAL A 71 22.446 -13.652 -6.127 1.00 0.00 C
ATOM 1087 1HG1 VAL A 71 22.856 -13.201 -5.223 1.00 0.00 H
ATOM 1088 2HG1 VAL A 71 23.262 -13.965 -6.778 1.00 0.00 H
ATOM 1089 3HG1 VAL A 71 21.826 -12.922 -6.647 1.00 0.00 H
ATOM 1090 CG2 VAL A 71 20.528 -14.492 -4.727 1.00 0.00 C
ATOM 1091 1HG2 VAL A 71 20.996 -14.014 -3.867 1.00 0.00 H
ATOM 1092 2HG2 VAL A 71 19.813 -13.805 -5.179 1.00 0.00 H
ATOM 1093 3HG2 VAL A 71 20.009 -15.394 -4.402 1.00 0.00 H
ATOM 1094 C VAL A 71 19.978 -14.696 -7.779 1.00 0.00 C
ATOM 1095 O VAL A 71 20.372 -13.877 -8.602 1.00 0.00 O
ATOM 1096 N TYR A 72 18.684 -14.934 -7.549 1.00 0.00 N
ATOM 1097 H TYR A 72 18.411 -15.618 -6.858 1.00 0.00 H
ATOM 1098 CA TYR A 72 17.604 -14.253 -8.247 1.00 0.00 C
ATOM 1099 HA TYR A 72 18.021 -13.511 -8.928 1.00 0.00 H
ATOM 1100 CB TYR A 72 16.827 -15.261 -9.110 1.00 0.00 C
ATOM 1101 HB1 TYR A 72 17.490 -15.679 -9.867 1.00 0.00 H
ATOM 1102 HB2 TYR A 72 16.446 -16.063 -8.478 1.00 0.00 H
ATOM 1103 CG TYR A 72 15.642 -14.655 -9.833 1.00 0.00 C
ATOM 1104 CD1 TYR A 72 15.810 -13.602 -10.728 1.00 0.00 C
ATOM 1105 HD1 TYR A 72 16.794 -13.196 -10.906 1.00 0.00 H
ATOM 1106 CE1 TYR A 72 14.725 -13.054 -11.407 1.00 0.00 C
ATOM 1107 HE1 TYR A 72 14.877 -12.236 -12.096 1.00 0.00 H
ATOM 1108 CZ TYR A 72 13.456 -13.559 -11.196 1.00 0.00 C
ATOM 1109 OH TYR A 72 12.385 -13.018 -11.868 1.00 0.00 O
ATOM 1110 HH TYR A 72 11.582 -13.477 -11.612 1.00 0.00 H
ATOM 1111 CE2 TYR A 72 13.269 -14.626 -10.334 1.00 0.00 C
ATOM 1112 HE2 TYR A 72 12.283 -15.042 -10.188 1.00 0.00 H
ATOM 1113 CD2 TYR A 72 14.357 -15.163 -9.655 1.00 0.00 C
ATOM 1114 HD2 TYR A 72 14.193 -15.990 -8.979 1.00 0.00 H
ATOM 1115 C TYR A 72 16.712 -13.613 -7.212 1.00 0.00 C
ATOM 1116 O TYR A 72 16.146 -14.312 -6.368 1.00 0.00 O
ATOM 1117 N VAL A 73 16.656 -12.276 -7.220 1.00 0.00 N
ATOM 1118 H VAL A 73 17.135 -11.755 -7.940 1.00 0.00 H
ATOM 1119 CA VAL A 73 15.907 -11.554 -6.196 1.00 0.00 C
ATOM 1120 HA VAL A 73 15.613 -12.244 -5.405 1.00 0.00 H
ATOM 1121 CB VAL A 73 16.823 -10.779 -5.190 1.00 0.00 C
ATOM 1122 HB VAL A 73 17.402 -10.029 -5.730 1.00 0.00 H
ATOM 1123 CG1 VAL A 73 16.009 -10.135 -4.068 1.00 0.00 C
ATOM 1124 1HG1 VAL A 73 16.678 -9.606 -3.390 1.00 0.00 H
ATOM 1125 2HG1 VAL A 73 15.294 -9.431 -4.494 1.00 0.00 H
ATOM 1126 3HG1 VAL A 73 15.472 -10.908 -3.518 1.00 0.00 H
ATOM 1127 CG2 VAL A 73 17.889 -11.702 -4.605 1.00 0.00 C
ATOM 1128 1HG2 VAL A 73 18.513 -11.141 -3.909 1.00 0.00 H
ATOM 1129 2HG2 VAL A 73 17.407 -12.525 -4.077 1.00 0.00 H
ATOM 1130 3HG2 VAL A 73 18.508 -12.099 -5.409 1.00 0.00 H
ATOM 1131 C VAL A 73 14.789 -10.701 -6.788 1.00 0.00 C
ATOM 1132 O VAL A 73 14.946 -9.484 -6.949 1.00 0.00 O
ATOM 1133 N PRO A 74 13.635 -11.328 -7.111 1.00 0.00 N
ATOM 1134 CD PRO A 74 13.273 -12.761 -6.990 1.00 0.00 C
ATOM 1135 HD1 PRO A 74 13.290 -13.053 -5.940 1.00 0.00 H
ATOM 1136 HD2 PRO A 74 13.989 -13.365 -7.546 1.00 0.00 H
ATOM 1137 CG PRO A 74 11.874 -12.838 -7.582 1.00 0.00 C
ATOM 1138 HG1 PRO A 74 11.131 -12.954 -6.793 1.00 0.00 H
ATOM 1139 HG2 PRO A 74 11.800 -13.676 -8.276 1.00 0.00 H
ATOM 1140 CB PRO A 74 11.627 -11.554 -8.320 1.00 0.00 C
ATOM 1141 HB1 PRO A 74 10.582 -11.247 -8.265 1.00 0.00 H
ATOM 1142 HB2 PRO A 74 11.932 -11.618 -9.364 1.00 0.00 H
ATOM 1143 CA PRO A 74 12.500 -10.527 -7.594 1.00 0.00 C
ATOM 1144 HA PRO A 74 12.864 -9.746 -8.262 1.00 0.00 H
ATOM 1145 C PRO A 74 11.791 -9.892 -6.399 1.00 0.00 C
ATOM 1146 O PRO A 74 11.719 -10.485 -5.316 1.00 0.00 O
ATOM 1147 N TYR A 75 11.333 -8.661 -6.571 1.00 0.00 N
ATOM 1148 H TYR A 75 11.499 -8.177 -7.442 1.00 0.00 H
ATOM 1149 CA TYR A 75 10.585 -7.969 -5.530 1.00 0.00 C
ATOM 1150 HA TYR A 75 10.342 -8.669 -4.731 1.00 0.00 H
ATOM 1151 CB TYR A 75 11.469 -7.099 -4.606 1.00 0.00 C
ATOM 1152 HB1 TYR A 75 10.836 -6.548 -3.910 1.00 0.00 H
ATOM 1153 HB2 TYR A 75 12.151 -7.740 -4.047 1.00 0.00 H
ATOM 1154 CG TYR A 75 12.318 -6.079 -5.332 1.00 0.00 C
ATOM 1155 CD1 TYR A 75 13.571 -6.418 -5.837 1.00 0.00 C
ATOM 1156 HD1 TYR A 75 13.939 -7.428 -5.736 1.00 0.00 H
ATOM 1157 CE1 TYR A 75 14.368 -5.478 -6.474 1.00 0.00 C
ATOM 1158 HE1 TYR A 75 15.360 -5.746 -6.807 1.00 0.00 H
ATOM 1159 CZ TYR A 75 13.886 -4.199 -6.680 1.00 0.00 C
ATOM 1160 OH TYR A 75 14.638 -3.291 -7.373 1.00 0.00 O
ATOM 1161 HH TYR A 75 14.063 -2.630 -7.764 1.00 0.00 H
ATOM 1162 CE2 TYR A 75 12.650 -3.834 -6.175 1.00 0.00 C
ATOM 1163 HE2 TYR A 75 12.286 -2.825 -6.302 1.00 0.00 H
ATOM 1164 CD2 TYR A 75 11.877 -4.771 -5.503 1.00 0.00 C
ATOM 1165 HD2 TYR A 75 10.918 -4.469 -5.109 1.00 0.00 H
ATOM 1166 C TYR A 75 9.418 -7.222 -6.153 1.00 0.00 C
ATOM 1167 O TYR A 75 9.240 -7.271 -7.375 1.00 0.00 O
ATOM 1168 N THR A 76 8.583 -6.596 -5.308 1.00 0.00 N
ATOM 1169 H THR A 76 8.763 -6.615 -4.314 1.00 0.00 H
ATOM 1170 CA THR A 76 7.381 -5.856 -5.703 1.00 0.00 C
ATOM 1171 HA THR A 76 6.530 -6.536 -5.739 1.00 0.00 H
ATOM 1172 CB THR A 76 6.886 -4.982 -4.520 1.00 0.00 C
ATOM 1173 HB THR A 76 7.611 -4.193 -4.322 1.00 0.00 H
ATOM 1174 CG2 THR A 76 5.606 -4.197 -4.849 1.00 0.00 C
ATOM 1175 1HG2 THR A 76 5.310 -3.605 -3.983 1.00 0.00 H
ATOM 1176 2HG2 THR A 76 5.793 -3.534 -5.695 1.00 0.00 H
ATOM 1177 3HG2 THR A 76 4.807 -4.893 -5.104 1.00 0.00 H
ATOM 1178 OG1 THR A 76 6.672 -5.809 -3.375 1.00 0.00 O
ATOM 1179 HG1 THR A 76 6.365 -5.269 -2.643 1.00 0.00 H
ATOM 1180 C THR A 76 7.567 -5.056 -6.998 1.00 0.00 C
ATOM 1181 O THR A 76 7.033 -5.434 -8.049 1.00 0.00 O
ATOM 1182 N GLN A 77 8.371 -3.995 -6.924 1.00 0.00 N
ATOM 1183 H GLN A 77 8.871 -3.799 -6.069 1.00 0.00 H
ATOM 1184 CA GLN A 77 8.571 -3.081 -8.039 1.00 0.00 C
ATOM 1185 HA GLN A 77 7.676 -3.066 -8.662 1.00 0.00 H
ATOM 1186 CB GLN A 77 8.433 -1.626 -7.557 1.00 0.00 C
ATOM 1187 HB1 GLN A 77 9.196 -1.417 -6.808 1.00 0.00 H
ATOM 1188 HB2 GLN A 77 8.560 -0.949 -8.403 1.00 0.00 H
ATOM 1189 CG GLN A 77 7.073 -1.312 -6.923 1.00 0.00 C
ATOM 1190 HG1 GLN A 77 6.277 -1.571 -7.621 1.00 0.00 H
ATOM 1191 HG2 GLN A 77 6.956 -1.892 -6.008 1.00 0.00 H
ATOM 1192 CD GLN A 77 6.877 0.146 -6.551 1.00 0.00 C
ATOM 1193 OE1 GLN A 77 5.838 0.523 -5.994 1.00 0.00 O
ATOM 1194 NE2 GLN A 77 7.845 1.004 -6.866 1.00 0.00 N
ATOM 1195 1HE2 GLN A 77 8.676 0.677 -7.337 1.00 0.00 H
ATOM 1196 2HE2 GLN A 77 7.748 1.982 -6.633 1.00 0.00 H
ATOM 1197 C GLN A 77 9.834 -3.275 -8.869 1.00 0.00 C
ATOM 1198 O GLN A 77 10.245 -2.346 -9.563 1.00 0.00 O
ATOM 1199 N GLY A 78 10.418 -4.471 -8.837 1.00 0.00 N
ATOM 1200 H GLY A 78 10.040 -5.202 -8.252 1.00 0.00 H
ATOM 1201 CA GLY A 78 11.607 -4.751 -9.637 1.00 0.00 C
ATOM 1202 HA1 GLY A 78 11.325 -4.845 -10.686 1.00 0.00 H
ATOM 1203 HA2 GLY A 78 12.321 -3.936 -9.525 1.00 0.00 H
ATOM 1204 C GLY A 78 12.342 -6.018 -9.275 1.00 0.00 C
ATOM 1205 O GLY A 78 11.760 -6.947 -8.712 1.00 0.00 O
ATOM 1206 N LYS A 79 13.631 -6.069 -9.617 1.00 0.00 N
ATOM 1207 H LYS A 79 14.059 -5.286 -10.090 1.00 0.00 H
ATOM 1208 CA LYS A 79 14.469 -7.225 -9.333 1.00 0.00 C
ATOM 1209 HA LYS A 79 14.293 -7.561 -8.311 1.00 0.00 H
ATOM 1210 CB LYS A 79 14.047 -8.467 -10.154 1.00 0.00 C
ATOM 1211 HB1 LYS A 79 14.564 -9.348 -9.772 1.00 0.00 H
ATOM 1212 HB2 LYS A 79 12.971 -8.612 -10.067 1.00 0.00 H
ATOM 1213 CG LYS A 79 14.362 -8.378 -11.628 1.00 0.00 C
ATOM 1214 HG1 LYS A 79 13.697 -7.654 -12.099 1.00 0.00 H
ATOM 1215 HG2 LYS A 79 15.396 -8.060 -11.761 1.00 0.00 H
ATOM 1216 CD LYS A 79 14.174 -9.715 -12.289 1.00 0.00 C
ATOM 1217 HD1 LYS A 79 14.579 -10.498 -11.648 1.00 0.00 H
ATOM 1218 HD2 LYS A 79 13.111 -9.894 -12.453 1.00 0.00 H
ATOM 1219 CE LYS A 79 14.883 -9.759 -13.615 1.00 0.00 C
ATOM 1220 HE1 LYS A 79 14.439 -9.027 -14.290 1.00 0.00 H
ATOM 1221 HE2 LYS A 79 15.938 -9.528 -13.471 1.00 0.00 H
ATOM 1222 NZ LYS A 79 14.779 -11.100 -14.245 1.00 0.00 N
ATOM 1223 HZ1 LYS A 79 15.474 -11.714 -13.847 1.00 0.00 H
ATOM 1224 HZ2 LYS A 79 13.858 -11.480 -14.077 1.00 0.00 H
ATOM 1225 HZ3 LYS A 79 14.933 -11.018 -15.240 1.00 0.00 H
ATOM 1226 C LYS A 79 15.927 -6.957 -9.559 1.00 0.00 C
ATOM 1227 O LYS A 79 16.320 -5.999 -10.230 1.00 0.00 O
ATOM 1228 N TRP A 80 16.723 -7.848 -9.014 1.00 0.00 N
ATOM 1229 H TRP A 80 16.344 -8.558 -8.404 1.00 0.00 H
ATOM 1230 CA TRP A 80 18.151 -7.899 -9.222 1.00 0.00 C
ATOM 1231 HA TRP A 80 18.415 -7.282 -10.081 1.00 0.00 H
ATOM 1232 CB TRP A 80 18.965 -7.067 -8.216 1.00 0.00 C
ATOM 1233 HB1 TRP A 80 20.001 -7.006 -8.549 1.00 0.00 H
ATOM 1234 HB2 TRP A 80 18.546 -6.063 -8.151 1.00 0.00 H
ATOM 1235 CG TRP A 80 19.023 -7.573 -6.804 1.00 0.00 C
ATOM 1236 CD1 TRP A 80 18.361 -7.055 -5.733 1.00 0.00 C
ATOM 1237 HD1 TRP A 80 17.661 -6.245 -5.872 1.00 0.00 H
ATOM 1238 NE1 TRP A 80 18.731 -7.708 -4.583 1.00 0.00 N
ATOM 1239 HE1 TRP A 80 18.262 -7.502 -3.713 1.00 0.00 H
ATOM 1240 CE2 TRP A 80 19.747 -8.580 -4.874 1.00 0.00 C
ATOM 1241 CZ2 TRP A 80 20.445 -9.458 -4.045 1.00 0.00 C
ATOM 1242 HZ2 TRP A 80 20.259 -9.458 -2.981 1.00 0.00 H
ATOM 1243 CH2 TRP A 80 21.354 -10.297 -4.641 1.00 0.00 C
ATOM 1244 HH2 TRP A 80 21.897 -11.015 -4.045 1.00 0.00 H
ATOM 1245 CZ3 TRP A 80 21.603 -10.252 -6.019 1.00 0.00 C
ATOM 1246 HZ3 TRP A 80 22.360 -10.902 -6.432 1.00 0.00 H
ATOM 1247 CE3 TRP A 80 20.899 -9.394 -6.848 1.00 0.00 C
ATOM 1248 HE3 TRP A 80 21.071 -9.373 -7.914 1.00 0.00 H
ATOM 1249 CD2 TRP A 80 19.945 -8.537 -6.274 1.00 0.00 C
ATOM 1250 C TRP A 80 18.548 -9.346 -9.283 1.00 0.00 C
ATOM 1251 O TRP A 80 17.957 -10.205 -8.635 1.00 0.00 O
ATOM 1252 N GLU A 81 19.553 -9.610 -10.075 1.00 0.00 N
ATOM 1253 H GLU A 81 20.013 -8.861 -10.573 1.00 0.00 H
ATOM 1254 CA GLU A 81 20.053 -10.951 -10.280 1.00 0.00 C
ATOM 1255 HA GLU A 81 19.765 -11.580 -9.437 1.00 0.00 H
ATOM 1256 CB GLU A 81 19.552 -11.428 -11.649 1.00 0.00 C
ATOM 1257 HB1 GLU A 81 18.603 -10.942 -11.878 1.00 0.00 H
ATOM 1258 HB2 GLU A 81 20.284 -11.172 -12.414 1.00 0.00 H
ATOM 1259 CG GLU A 81 19.314 -12.912 -11.758 1.00 0.00 C
ATOM 1260 HG1 GLU A 81 20.261 -13.441 -11.647 1.00 0.00 H
ATOM 1261 HG2 GLU A 81 18.628 -13.229 -10.973 1.00 0.00 H
ATOM 1262 CD GLU A 81 18.713 -13.283 -13.097 1.00 0.00 C
ATOM 1263 OE1 GLU A 81 17.708 -12.652 -13.498 1.00 0.00 O
ATOM 1264 OE2 GLU A 81 19.260 -14.188 -13.759 1.00 0.00 O
ATOM 1265 C GLU A 81 21.562 -10.857 -10.309 1.00 0.00 C
ATOM 1266 O GLU A 81 22.112 -9.868 -10.788 1.00 0.00 O
ATOM 1267 N GLY A 82 22.221 -11.902 -9.851 1.00 0.00 N
ATOM 1268 H GLY A 82 21.716 -12.699 -9.490 1.00 0.00 H
ATOM 1269 CA GLY A 82 23.672 -11.892 -9.873 1.00 0.00 C
ATOM 1270 HA1 GLY A 82 24.018 -11.598 -10.864 1.00 0.00 H
ATOM 1271 HA2 GLY A 82 24.042 -11.183 -9.133 1.00 0.00 H
ATOM 1272 C GLY A 82 24.334 -13.206 -9.567 1.00 0.00 C
ATOM 1273 O GLY A 82 23.695 -14.264 -9.554 1.00 0.00 O
ATOM 1274 N GLU A 83 25.637 -13.121 -9.312 1.00 0.00 N
ATOM 1275 H GLU A 83 26.087 -12.218 -9.283 1.00 0.00 H
ATOM 1276 CA GLU A 83 26.494 -14.267 -9.064 1.00 0.00 C
ATOM 1277 HA GLU A 83 25.911 -15.183 -9.156 1.00 0.00 H
ATOM 1278 CB GLU A 83 27.594 -14.306 -10.141 1.00 0.00 C
ATOM 1279 HB1 GLU A 83 28.172 -13.383 -10.105 1.00 0.00 H
ATOM 1280 HB2 GLU A 83 28.253 -15.155 -9.957 1.00 0.00 H
ATOM 1281 CG GLU A 83 27.003 -14.451 -11.548 1.00 0.00 C
ATOM 1282 HG1 GLU A 83 26.619 -15.463 -11.679 1.00 0.00 H
ATOM 1283 HG2 GLU A 83 26.192 -13.735 -11.677 1.00 0.00 H
ATOM 1284 CD GLU A 83 27.939 -14.218 -12.713 1.00 0.00 C
ATOM 1285 OE1 GLU A 83 27.473 -14.326 -13.866 1.00 0.00 O
ATOM 1286 OE2 GLU A 83 29.118 -13.878 -12.487 1.00 0.00 O
ATOM 1287 C GLU A 83 27.094 -14.157 -7.685 1.00 0.00 C
ATOM 1288 O GLU A 83 27.612 -13.114 -7.320 1.00 0.00 O
ATOM 1289 N LEU A 84 27.047 -15.245 -6.928 1.00 0.00 N
ATOM 1290 H LEU A 84 26.636 -16.094 -7.288 1.00 0.00 H
ATOM 1291 CA LEU A 84 27.578 -15.256 -5.569 1.00 0.00 C
ATOM 1292 HA LEU A 84 27.320 -14.323 -5.069 1.00 0.00 H
ATOM 1293 CB LEU A 84 26.814 -16.277 -4.699 1.00 0.00 C
ATOM 1294 HB1 LEU A 84 26.924 -17.274 -5.126 1.00 0.00 H
ATOM 1295 HB2 LEU A 84 27.220 -16.269 -3.687 1.00 0.00 H
ATOM 1296 CG LEU A 84 25.319 -16.033 -4.561 1.00 0.00 C
ATOM 1297 HG LEU A 84 24.887 -15.855 -5.546 1.00 0.00 H
ATOM 1298 CD1 LEU A 84 24.637 -17.205 -3.901 1.00 0.00 C
ATOM 1299 1HD1 LEU A 84 23.569 -17.004 -3.815 1.00 0.00 H
ATOM 1300 2HD1 LEU A 84 24.790 -18.101 -4.503 1.00 0.00 H
ATOM 1301 3HD1 LEU A 84 25.058 -17.359 -2.907 1.00 0.00 H
ATOM 1302 CD2 LEU A 84 25.045 -14.759 -3.745 1.00 0.00 C
ATOM 1303 1HD2 LEU A 84 23.969 -14.605 -3.659 1.00 0.00 H
ATOM 1304 2HD2 LEU A 84 25.476 -14.865 -2.749 1.00 0.00 H
ATOM 1305 3HD2 LEU A 84 25.496 -13.902 -4.246 1.00 0.00 H
ATOM 1306 C LEU A 84 29.072 -15.515 -5.509 1.00 0.00 C
ATOM 1307 O LEU A 84 29.616 -16.296 -6.282 1.00 0.00 O
ATOM 1308 N GLY A 85 29.710 -14.848 -4.564 1.00 0.00 N
ATOM 1309 H GLY A 85 29.205 -14.206 -3.971 1.00 0.00 H
ATOM 1310 CA GLY A 85 31.133 -14.986 -4.319 1.00 0.00 C
ATOM 1311 HA1 GLY A 85 31.407 -16.041 -4.347 1.00 0.00 H
ATOM 1312 HA2 GLY A 85 31.688 -14.447 -5.087 1.00 0.00 H
ATOM 1313 C GLY A 85 31.503 -14.427 -2.973 1.00 0.00 C
ATOM 1314 O GLY A 85 30.629 -13.984 -2.225 1.00 0.00 O
ATOM 1315 N THR A 86 32.801 -14.457 -2.648 1.00 0.00 N
ATOM 1316 H THR A 86 33.464 -14.913 -3.258 1.00 0.00 H
ATOM 1317 CA THR A 86 33.319 -13.845 -1.417 1.00 0.00 C
ATOM 1318 HA THR A 86 32.515 -13.312 -0.909 1.00 0.00 H
ATOM 1319 CB THR A 86 33.703 -14.878 -0.322 1.00 0.00 C
ATOM 1320 HB THR A 86 33.679 -14.398 0.656 1.00 0.00 H
ATOM 1321 CG2 THR A 86 32.641 -15.982 -0.108 1.00 0.00 C
ATOM 1322 1HG2 THR A 86 32.979 -16.666 0.671 1.00 0.00 H
ATOM 1323 2HG2 THR A 86 31.698 -15.526 0.194 1.00 0.00 H
ATOM 1324 3HG2 THR A 86 32.497 -16.533 -1.037 1.00 0.00 H
ATOM 1325 OG1 THR A 86 34.960 -15.452 -0.621 1.00 0.00 O
ATOM 1326 HG1 THR A 86 35.096 -16.230 -0.075 1.00 0.00 H
ATOM 1327 C THR A 86 34.516 -12.943 -1.760 1.00 0.00 C
ATOM 1328 O THR A 86 35.181 -13.145 -2.778 1.00 0.00 O
ATOM 1329 N ASP A 87 34.804 -11.954 -0.900 1.00 0.00 N
ATOM 1330 H ASP A 87 34.205 -11.786 -0.104 1.00 0.00 H
ATOM 1331 CA ASP A 87 35.983 -11.100 -1.089 1.00 0.00 C
ATOM 1332 HA ASP A 87 36.830 -11.712 -1.400 1.00 0.00 H
ATOM 1333 CB ASP A 87 35.802 -10.092 -2.270 1.00 0.00 C
ATOM 1334 HB1 ASP A 87 35.099 -10.503 -2.995 1.00 0.00 H
ATOM 1335 HB2 ASP A 87 35.417 -9.147 -1.886 1.00 0.00 H
ATOM 1336 CG ASP A 87 37.078 -9.772 -3.027 1.00 0.00 C
ATOM 1337 OD1 ASP A 87 38.179 -9.836 -2.409 1.00 0.00 O
ATOM 1338 OD2 ASP A 87 36.984 -9.416 -4.230 1.00 0.00 O
ATOM 1339 C ASP A 87 36.246 -10.370 0.207 1.00 0.00 C
ATOM 1340 O ASP A 87 35.434 -10.447 1.144 1.00 0.00 O
ATOM 1341 N LEU A 88 37.381 -9.678 0.278 1.00 0.00 N
ATOM 1342 H LEU A 88 38.024 -9.682 -0.500 1.00 0.00 H
ATOM 1343 CA LEU A 88 37.732 -8.902 1.461 1.00 0.00 C
ATOM 1344 HA LEU A 88 37.484 -9.471 2.357 1.00 0.00 H
ATOM 1345 CB LEU A 88 39.266 -8.735 1.556 1.00 0.00 C
ATOM 1346 HB1 LEU A 88 39.631 -8.214 0.671 1.00 0.00 H
ATOM 1347 HB2 LEU A 88 39.514 -8.156 2.446 1.00 0.00 H
ATOM 1348 CG LEU A 88 40.078 -10.053 1.653 1.00 0.00 C
ATOM 1349 HG LEU A 88 39.895 -10.659 0.766 1.00 0.00 H
ATOM 1350 CD1 LEU A 88 41.556 -9.733 1.825 1.00 0.00 C
ATOM 1351 1HD1 LEU A 88 42.124 -10.661 1.892 1.00 0.00 H
ATOM 1352 2HD1 LEU A 88 41.905 -9.155 0.969 1.00 0.00 H
ATOM 1353 3HD1 LEU A 88 41.699 -9.153 2.736 1.00 0.00 H
ATOM 1354 CD2 LEU A 88 39.575 -10.947 2.806 1.00 0.00 C
ATOM 1355 1HD2 LEU A 88 40.168 -11.861 2.843 1.00 0.00 H
ATOM 1356 2HD2 LEU A 88 39.674 -10.412 3.751 1.00 0.00 H
ATOM 1357 3HD2 LEU A 88 38.528 -11.200 2.640 1.00 0.00 H
ATOM 1358 C LEU A 88 37.010 -7.544 1.416 1.00 0.00 C
ATOM 1359 O LEU A 88 37.020 -6.865 0.383 1.00 0.00 O
ATOM 1360 N VAL A 89 36.332 -7.198 2.515 1.00 0.00 N
ATOM 1361 H VAL A 89 36.383 -7.776 3.343 1.00 0.00 H
ATOM 1362 CA VAL A 89 35.492 -5.997 2.604 1.00 0.00 C
ATOM 1363 HA VAL A 89 35.587 -5.418 1.685 1.00 0.00 H
ATOM 1364 CB VAL A 89 33.983 -6.403 2.667 1.00 0.00 C
ATOM 1365 HB VAL A 89 33.807 -7.009 3.556 1.00 0.00 H
ATOM 1366 CG1 VAL A 89 33.060 -5.189 2.621 1.00 0.00 C
ATOM 1367 1HG1 VAL A 89 32.023 -5.519 2.667 1.00 0.00 H
ATOM 1368 2HG1 VAL A 89 33.273 -4.538 3.469 1.00 0.00 H
ATOM 1369 3HG1 VAL A 89 33.226 -4.642 1.693 1.00 0.00 H
ATOM 1370 CG2 VAL A 89 33.620 -7.397 1.557 1.00 0.00 C
ATOM 1371 1HG2 VAL A 89 32.564 -7.656 1.632 1.00 0.00 H
ATOM 1372 2HG2 VAL A 89 33.813 -6.943 0.585 1.00 0.00 H
ATOM 1373 3HG2 VAL A 89 34.224 -8.298 1.663 1.00 0.00 H
ATOM 1374 C VAL A 89 35.888 -5.173 3.819 1.00 0.00 C
ATOM 1375 O VAL A 89 36.145 -5.732 4.893 1.00 0.00 O
ATOM 1376 N SER A 90 35.923 -3.833 3.641 1.00 0.00 N
ATOM 1377 H SER A 90 35.733 -3.440 2.730 1.00 0.00 H
ATOM 1378 CA SER A 90 36.226 -2.872 4.702 1.00 0.00 C
ATOM 1379 HA SER A 90 36.122 -3.356 5.673 1.00 0.00 H
ATOM 1380 CB SER A 90 37.673 -2.380 4.598 1.00 0.00 C
ATOM 1381 HB1 SER A 90 37.790 -1.783 3.693 1.00 0.00 H
ATOM 1382 HB2 SER A 90 37.913 -1.769 5.469 1.00 0.00 H
ATOM 1383 OG SER A 90 38.573 -3.480 4.544 1.00 0.00 O
ATOM 1384 HG SER A 90 38.481 -4.008 5.340 1.00 0.00 H
ATOM 1385 C SER A 90 35.268 -1.685 4.591 1.00 0.00 C
ATOM 1386 O SER A 90 34.564 -1.512 3.578 1.00 0.00 O
ATOM 1387 N ILE A 91 35.190 -0.931 5.680 1.00 0.00 N
ATOM 1388 H ILE A 91 35.714 -1.182 6.506 1.00 0.00 H
ATOM 1389 CA ILE A 91 34.375 0.281 5.785 1.00 0.00 C
ATOM 1390 HA ILE A 91 33.892 0.479 4.828 1.00 0.00 H
ATOM 1391 CB ILE A 91 33.195 0.137 6.793 1.00 0.00 C
ATOM 1392 HB ILE A 91 33.591 0.021 7.802 1.00 0.00 H
ATOM 1393 CG2 ILE A 91 32.413 1.446 6.898 1.00 0.00 C
ATOM 1394 1HG2 ILE A 91 31.594 1.325 7.607 1.00 0.00 H
ATOM 1395 2HG2 ILE A 91 33.077 2.239 7.243 1.00 0.00 H
ATOM 1396 3HG2 ILE A 91 32.011 1.709 5.920 1.00 0.00 H
ATOM 1397 CG1 ILE A 91 32.264 -1.035 6.408 1.00 0.00 C
ATOM 1398 1HG1 ILE A 91 31.680 -0.762 5.529 1.00 0.00 H
ATOM 1399 2HG1 ILE A 91 32.863 -1.918 6.185 1.00 0.00 H
ATOM 1400 CD ILE A 91 31.253 -1.457 7.486 1.00 0.00 C
ATOM 1401 HD1 ILE A 91 30.650 -2.285 7.114 1.00 0.00 H
ATOM 1402 HD2 ILE A 91 31.787 -1.771 8.383 1.00 0.00 H
ATOM 1403 HD3 ILE A 91 30.604 -0.615 7.726 1.00 0.00 H
ATOM 1404 C ILE A 91 35.383 1.347 6.209 1.00 0.00 C
ATOM 1405 O ILE A 91 35.787 1.377 7.374 1.00 0.00 O
ATOM 1406 N PRO A 92 35.849 2.184 5.259 1.00 0.00 N
ATOM 1407 CD PRO A 92 35.550 2.171 3.811 1.00 0.00 C
ATOM 1408 HD1 PRO A 92 34.565 2.606 3.639 1.00 0.00 H
ATOM 1409 HD2 PRO A 92 35.562 1.144 3.445 1.00 0.00 H
ATOM 1410 CG PRO A 92 36.666 3.013 3.207 1.00 0.00 C
ATOM 1411 HG1 PRO A 92 36.346 3.536 2.305 1.00 0.00 H
ATOM 1412 HG2 PRO A 92 37.555 2.423 2.988 1.00 0.00 H
ATOM 1413 CB PRO A 92 36.984 4.025 4.294 1.00 0.00 C
ATOM 1414 HB1 PRO A 92 36.264 4.843 4.324 1.00 0.00 H
ATOM 1415 HB2 PRO A 92 37.991 4.431 4.201 1.00 0.00 H
ATOM 1416 CA PRO A 92 36.879 3.200 5.589 1.00 0.00 C
ATOM 1417 HA PRO A 92 37.840 2.708 5.739 1.00 0.00 H
ATOM 1418 C PRO A 92 36.571 4.070 6.820 1.00 0.00 C
ATOM 1419 O PRO A 92 37.448 4.261 7.674 1.00 0.00 O
ATOM 1420 N HID A 93 35.318 4.551 6.945 1.00 0.00 N
ATOM 1421 H HID A 93 34.629 4.356 6.233 1.00 0.00 H
ATOM 1422 CA HID A 93 34.909 5.360 8.093 1.00 0.00 C
ATOM 1423 HA HID A 93 35.789 5.812 8.551 1.00 0.00 H
ATOM 1424 CB HID A 93 34.151 6.603 7.616 1.00 0.00 C
ATOM 1425 HB1 HID A 93 33.249 6.298 7.086 1.00 0.00 H
ATOM 1426 HB2 HID A 93 33.877 7.214 8.476 1.00 0.00 H
ATOM 1427 CG HID A 93 34.989 7.436 6.689 1.00 0.00 C
ATOM 1428 ND1 HID A 93 36.038 8.220 7.165 1.00 0.00 N
ATOM 1429 HD1 HID A 93 36.219 8.272 8.157 1.00 0.00 H
ATOM 1430 CE1 HID A 93 36.598 8.762 6.100 1.00 0.00 C
ATOM 1431 HE1 HID A 93 37.442 9.426 6.213 1.00 0.00 H
ATOM 1432 NE2 HID A 93 35.986 8.371 4.978 1.00 0.00 N
ATOM 1433 CD2 HID A 93 34.977 7.503 5.336 1.00 0.00 C
ATOM 1434 HD2 HID A 93 34.255 6.929 4.774 1.00 0.00 H
ATOM 1435 C HID A 93 34.110 4.435 9.004 1.00 0.00 C
ATOM 1436 O HID A 93 32.911 4.588 9.217 1.00 0.00 O
ATOM 1437 N GLY A 94 34.796 3.397 9.460 1.00 0.00 N
ATOM 1438 H GLY A 94 35.787 3.328 9.280 1.00 0.00 H
ATOM 1439 CA GLY A 94 34.151 2.336 10.225 1.00 0.00 C
ATOM 1440 HA1 GLY A 94 33.304 2.747 10.775 1.00 0.00 H
ATOM 1441 HA2 GLY A 94 33.800 1.560 9.546 1.00 0.00 H
ATOM 1442 C GLY A 94 35.095 1.709 11.212 1.00 0.00 C
ATOM 1443 O GLY A 94 36.035 2.360 11.646 1.00 0.00 O
ATOM 1444 N PRO A 95 34.839 0.454 11.616 1.00 0.00 N
ATOM 1445 CD PRO A 95 33.753 -0.449 11.182 1.00 0.00 C
ATOM 1446 HD1 PRO A 95 33.665 -0.416 10.096 1.00 0.00 H
ATOM 1447 HD2 PRO A 95 32.813 -0.131 11.632 1.00 0.00 H
ATOM 1448 CG PRO A 95 34.192 -1.788 11.674 1.00 0.00 C
ATOM 1449 HG1 PRO A 95 34.775 -2.318 10.920 1.00 0.00 H
ATOM 1450 HG2 PRO A 95 33.342 -2.401 11.972 1.00 0.00 H
ATOM 1451 CB PRO A 95 35.041 -1.515 12.853 1.00 0.00 C
ATOM 1452 HB1 PRO A 95 35.763 -2.314 13.027 1.00 0.00 H
ATOM 1453 HB2 PRO A 95 34.447 -1.361 13.754 1.00 0.00 H
ATOM 1454 CA PRO A 95 35.783 -0.225 12.504 1.00 0.00 C
ATOM 1455 HA PRO A 95 35.989 0.407 13.368 1.00 0.00 H
ATOM 1456 C PRO A 95 37.080 -0.462 11.689 1.00 0.00 C
ATOM 1457 O PRO A 95 37.055 -0.573 10.456 1.00 0.00 O
ATOM 1458 N ASN A 96 38.208 -0.481 12.332 1.00 0.00 N
ATOM 1459 H ASN A 96 38.219 -0.368 13.336 1.00 0.00 H
ATOM 1460 CA ASN A 96 39.441 -0.669 11.566 1.00 0.00 C
ATOM 1461 HA ASN A 96 39.388 -0.091 10.643 1.00 0.00 H
ATOM 1462 CB ASN A 96 40.596 0.121 12.190 1.00 0.00 C
ATOM 1463 HB1 ASN A 96 40.745 -0.205 13.219 1.00 0.00 H
ATOM 1464 HB2 ASN A 96 41.508 -0.054 11.618 1.00 0.00 H
ATOM 1465 CG ASN A 96 40.315 1.601 12.196 1.00 0.00 C
ATOM 1466 OD1 ASN A 96 40.272 2.191 13.385 1.00 0.00 O
ATOM 1467 ND2 ASN A 96 40.046 2.209 11.151 1.00 0.00 N
ATOM 1468 1HD2 ASN A 96 40.012 1.713 10.272 1.00 0.00 H
ATOM 1469 2HD2 ASN A 96 39.861 3.202 11.178 1.00 0.00 H
ATOM 1470 C ASN A 96 39.737 -2.153 11.374 1.00 0.00 C
ATOM 1471 O ASN A 96 40.723 -2.674 11.867 1.00 0.00 O
ATOM 1472 N VAL A 97 38.859 -2.833 10.637 1.00 0.00 N
ATOM 1473 H VAL A 97 38.076 -2.356 10.216 1.00 0.00 H
ATOM 1474 CA VAL A 97 38.971 -4.280 10.397 1.00 0.00 C
ATOM 1475 HA VAL A 97 39.975 -4.615 10.658 1.00 0.00 H
ATOM 1476 CB VAL A 97 38.064 -5.101 11.371 1.00 0.00 C
ATOM 1477 HB VAL A 97 38.051 -6.147 11.063 1.00 0.00 H
ATOM 1478 CG1 VAL A 97 38.484 -4.928 12.838 1.00 0.00 C
ATOM 1479 1HG1 VAL A 97 37.825 -5.516 13.477 1.00 0.00 H
ATOM 1480 2HG1 VAL A 97 39.512 -5.268 12.965 1.00 0.00 H
ATOM 1481 3HG1 VAL A 97 38.413 -3.876 13.115 1.00 0.00 H
ATOM 1482 CG2 VAL A 97 36.582 -4.778 11.184 1.00 0.00 C
ATOM 1483 1HG2 VAL A 97 35.989 -5.370 11.880 1.00 0.00 H
ATOM 1484 2HG2 VAL A 97 36.414 -3.718 11.375 1.00 0.00 H
ATOM 1485 3HG2 VAL A 97 36.284 -5.013 10.162 1.00 0.00 H
ATOM 1486 C VAL A 97 38.626 -4.595 8.946 1.00 0.00 C
ATOM 1487 O VAL A 97 37.895 -3.834 8.311 1.00 0.00 O
ATOM 1488 N THR A 98 39.125 -5.723 8.445 1.00 0.00 N
ATOM 1489 H THR A 98 39.735 -6.299 9.007 1.00 0.00 H
ATOM 1490 CA THR A 98 38.843 -6.211 7.083 1.00 0.00 C
ATOM 1491 HA THR A 98 38.169 -5.518 6.580 1.00 0.00 H
ATOM 1492 CB THR A 98 40.118 -6.194 6.243 1.00 0.00 C
ATOM 1493 HB THR A 98 40.914 -6.713 6.778 1.00 0.00 H
ATOM 1494 CG2 THR A 98 39.941 -6.857 4.885 1.00 0.00 C
ATOM 1495 1HG2 THR A 98 40.881 -6.814 4.334 1.00 0.00 H
ATOM 1496 2HG2 THR A 98 39.649 -7.898 5.023 1.00 0.00 H
ATOM 1497 3HG2 THR A 98 39.167 -6.334 4.323 1.00 0.00 H
ATOM 1498 OG1 THR A 98 40.456 -4.830 6.051 1.00 0.00 O
ATOM 1499 HG1 THR A 98 40.522 -4.393 6.903 1.00 0.00 H
ATOM 1500 C THR A 98 38.266 -7.594 7.258 1.00 0.00 C
ATOM 1501 O THR A 98 38.814 -8.386 8.010 1.00 0.00 O
ATOM 1502 N VAL A 99 37.138 -7.872 6.617 1.00 0.00 N
ATOM 1503 H VAL A 99 36.713 -7.178 6.019 1.00 0.00 H
ATOM 1504 CA VAL A 99 36.520 -9.191 6.787 1.00 0.00 C
ATOM 1505 HA VAL A 99 37.112 -9.784 7.484 1.00 0.00 H
ATOM 1506 CB VAL A 99 35.211 -9.122 7.620 1.00 0.00 C
ATOM 1507 HB VAL A 99 34.661 -10.057 7.512 1.00 0.00 H
ATOM 1508 CG1 VAL A 99 35.515 -8.819 9.087 1.00 0.00 C
ATOM 1509 1HG1 VAL A 99 34.583 -8.776 9.651 1.00 0.00 H
ATOM 1510 2HG1 VAL A 99 36.150 -9.605 9.497 1.00 0.00 H
ATOM 1511 3HG1 VAL A 99 36.030 -7.861 9.162 1.00 0.00 H
ATOM 1512 CG2 VAL A 99 34.247 -8.092 7.057 1.00 0.00 C
ATOM 1513 1HG2 VAL A 99 33.342 -8.071 7.664 1.00 0.00 H
ATOM 1514 2HG2 VAL A 99 34.717 -7.109 7.070 1.00 0.00 H
ATOM 1515 3HG2 VAL A 99 33.989 -8.358 6.032 1.00 0.00 H
ATOM 1516 C VAL A 99 36.295 -9.887 5.465 1.00 0.00 C
ATOM 1517 O VAL A 99 36.159 -9.207 4.447 1.00 0.00 O
ATOM 1518 N ARG A 100 36.231 -11.228 5.469 1.00 0.00 N
ATOM 1519 H ARG A 100 36.428 -11.740 6.316 1.00 0.00 H
ATOM 1520 CA ARG A 100 35.875 -11.942 4.249 1.00 0.00 C
ATOM 1521 HA ARG A 100 36.193 -11.362 3.382 1.00 0.00 H
ATOM 1522 CB ARG A 100 36.618 -13.286 4.093 1.00 0.00 C
ATOM 1523 HB1 ARG A 100 37.692 -13.106 4.062 1.00 0.00 H
ATOM 1524 HB2 ARG A 100 36.383 -13.932 4.939 1.00 0.00 H
ATOM 1525 CG ARG A 100 36.141 -13.921 2.784 1.00 0.00 C
ATOM 1526 HG1 ARG A 100 35.154 -14.360 2.930 1.00 0.00 H
ATOM 1527 HG2 ARG A 100 36.088 -13.158 2.007 1.00 0.00 H
ATOM 1528 CD ARG A 100 36.999 -14.991 2.259 1.00 0.00 C
ATOM 1529 HD1 ARG A 100 37.148 -15.749 3.029 1.00 0.00 H
ATOM 1530 HD2 ARG A 100 36.524 -15.445 1.390 1.00 0.00 H
ATOM 1531 NE ARG A 100 38.333 -14.551 1.833 1.00 0.00 N
ATOM 1532 HE ARG A 100 39.033 -14.529 2.561 1.00 0.00 H
ATOM 1533 CZ ARG A 100 38.652 -14.196 0.594 1.00 0.00 C
ATOM 1534 NH1 ARG A 100 37.708 -14.077 -0.336 1.00 0.00 N
ATOM 1535 1HH1 ARG A 100 36.742 -14.257 -0.101 1.00 0.00 H
ATOM 1536 2HH1 ARG A 100 37.956 -13.806 -1.276 1.00 0.00 H
ATOM 1537 NH2 ARG A 100 39.915 -13.954 0.273 1.00 0.00 N
ATOM 1538 1HH2 ARG A 100 40.638 -14.039 0.972 1.00 0.00 H
ATOM 1539 2HH2 ARG A 100 40.153 -13.684 -0.671 1.00 0.00 H
ATOM 1540 C ARG A 100 34.361 -12.150 4.305 1.00 0.00 C
ATOM 1541 O ARG A 100 33.852 -12.782 5.243 1.00 0.00 O
ATOM 1542 N ALA A 101 33.638 -11.598 3.318 1.00 0.00 N
ATOM 1543 H ALA A 101 34.102 -11.144 2.545 1.00 0.00 H
ATOM 1544 CA ALA A 101 32.176 -11.631 3.324 1.00 0.00 C
ATOM 1545 HA ALA A 101 31.830 -12.292 4.119 1.00 0.00 H
ATOM 1546 CB ALA A 101 31.643 -10.214 3.603 1.00 0.00 C
ATOM 1547 HB1 ALA A 101 30.553 -10.229 3.609 1.00 0.00 H
ATOM 1548 HB2 ALA A 101 32.006 -9.873 4.572 1.00 0.00 H
ATOM 1549 HB3 ALA A 101 31.991 -9.534 2.825 1.00 0.00 H
ATOM 1550 C ALA A 101 31.618 -12.115 2.018 1.00 0.00 C
ATOM 1551 O ALA A 101 32.281 -12.002 0.988 1.00 0.00 O
ATOM 1552 N ASN A 102 30.355 -12.570 2.044 1.00 0.00 N
ATOM 1553 H ASN A 102 29.870 -12.662 2.925 1.00 0.00 H
ATOM 1554 CA ASN A 102 29.655 -12.938 0.829 1.00 0.00 C
ATOM 1555 HA ASN A 102 30.293 -13.579 0.221 1.00 0.00 H
ATOM 1556 CB ASN A 102 28.374 -13.702 1.181 1.00 0.00 C
ATOM 1557 HB1 ASN A 102 27.795 -13.127 1.903 1.00 0.00 H
ATOM 1558 HB2 ASN A 102 27.782 -13.854 0.279 1.00 0.00 H
ATOM 1559 CG ASN A 102 28.692 -15.036 1.775 1.00 0.00 C
ATOM 1560 OD1 ASN A 102 29.451 -15.821 1.194 1.00 0.00 O
ATOM 1561 ND2 ASN A 102 28.120 -15.328 2.936 1.00 0.00 N
ATOM 1562 1HD2 ASN A 102 27.502 -14.662 3.377 1.00 0.00 H
ATOM 1563 2HD2 ASN A 102 28.302 -16.218 3.379 1.00 0.00 H
ATOM 1564 C ASN A 102 29.317 -11.658 0.078 1.00 0.00 C
ATOM 1565 O ASN A 102 28.981 -10.643 0.694 1.00 0.00 O
ATOM 1566 N ILE A 103 29.422 -11.706 -1.243 1.00 0.00 N
ATOM 1567 H ILE A 103 29.756 -12.547 -1.693 1.00 0.00 H
ATOM 1568 CA ILE A 103 29.070 -10.583 -2.101 1.00 0.00 C
ATOM 1569 HA ILE A 103 28.497 -9.853 -1.529 1.00 0.00 H
ATOM 1570 CB ILE A 103 30.326 -9.803 -2.627 1.00 0.00 C
ATOM 1571 HB ILE A 103 30.885 -10.435 -3.316 1.00 0.00 H
ATOM 1572 CG2 ILE A 103 29.884 -8.609 -3.498 1.00 0.00 C
ATOM 1573 1HG2 ILE A 103 30.764 -8.075 -3.856 1.00 0.00 H
ATOM 1574 2HG2 ILE A 103 29.309 -8.972 -4.349 1.00 0.00 H
ATOM 1575 3HG2 ILE A 103 29.268 -7.934 -2.904 1.00 0.00 H
ATOM 1576 CG1 ILE A 103 31.241 -9.313 -1.466 1.00 0.00 C
ATOM 1577 1HG1 ILE A 103 30.699 -8.592 -0.855 1.00 0.00 H
ATOM 1578 2HG1 ILE A 103 31.533 -10.164 -0.850 1.00 0.00 H
ATOM 1579 CD ILE A 103 32.539 -8.626 -1.905 1.00 0.00 C
ATOM 1580 HD1 ILE A 103 33.106 -8.322 -1.025 1.00 0.00 H
ATOM 1581 HD2 ILE A 103 33.135 -9.318 -2.499 1.00 0.00 H
ATOM 1582 HD3 ILE A 103 32.301 -7.747 -2.504 1.00 0.00 H
ATOM 1583 C ILE A 103 28.264 -11.142 -3.279 1.00 0.00 C
ATOM 1584 O ILE A 103 28.730 -12.056 -3.986 1.00 0.00 O
ATOM 1585 N ALA A 104 27.075 -10.563 -3.509 1.00 0.00 N
ATOM 1586 H ALA A 104 26.724 -9.861 -2.873 1.00 0.00 H
ATOM 1587 CA ALA A 104 26.268 -10.926 -4.664 1.00 0.00 C
ATOM 1588 HA ALA A 104 26.518 -11.939 -4.980 1.00 0.00 H
ATOM 1589 CB ALA A 104 24.781 -10.835 -4.321 1.00 0.00 C
ATOM 1590 HB1 ALA A 104 24.189 -11.109 -5.194 1.00 0.00 H
ATOM 1591 HB2 ALA A 104 24.555 -11.517 -3.501 1.00 0.00 H
ATOM 1592 HB3 ALA A 104 24.538 -9.816 -4.022 1.00 0.00 H
ATOM 1593 C ALA A 104 26.658 -9.894 -5.721 1.00 0.00 C
ATOM 1594 O ALA A 104 26.422 -8.695 -5.534 1.00 0.00 O
ATOM 1595 N ALA A 105 27.311 -10.350 -6.799 1.00 0.00 N
ATOM 1596 H ALA A 105 27.504 -11.337 -6.894 1.00 0.00 H
ATOM 1597 CA ALA A 105 27.769 -9.478 -7.868 1.00 0.00 C
ATOM 1598 HA ALA A 105 28.098 -8.528 -7.447 1.00 0.00 H
ATOM 1599 CB ALA A 105 28.961 -10.130 -8.578 1.00 0.00 C
ATOM 1600 HB1 ALA A 105 29.308 -9.479 -9.381 1.00 0.00 H
ATOM 1601 HB2 ALA A 105 29.769 -10.286 -7.863 1.00 0.00 H
ATOM 1602 HB3 ALA A 105 28.656 -11.090 -8.996 1.00 0.00 H
ATOM 1603 C ALA A 105 26.585 -9.281 -8.828 1.00 0.00 C
ATOM 1604 O ALA A 105 26.205 -10.224 -9.508 1.00 0.00 O
ATOM 1605 N ILE A 106 25.933 -8.102 -8.798 1.00 0.00 N
ATOM 1606 H ILE A 106 26.269 -7.355 -8.207 1.00 0.00 H
ATOM 1607 CA ILE A 106 24.723 -7.851 -9.610 1.00 0.00 C
ATOM 1608 HA ILE A 106 23.978 -8.619 -9.400 1.00 0.00 H
ATOM 1609 CB ILE A 106 23.890 -6.650 -9.064 1.00 0.00 C
ATOM 1610 HB ILE A 106 24.442 -5.723 -9.220 1.00 0.00 H
ATOM 1611 CG2 ILE A 106 22.673 -6.304 -9.958 1.00 0.00 C
ATOM 1612 1HG2 ILE A 106 22.133 -5.461 -9.526 1.00 0.00 H
ATOM 1613 2HG2 ILE A 106 23.019 -6.040 -10.957 1.00 0.00 H
ATOM 1614 3HG2 ILE A 106 22.010 -7.166 -10.019 1.00 0.00 H
ATOM 1615 CG1 ILE A 106 23.468 -6.873 -7.600 1.00 0.00 C
ATOM 1616 1HG1 ILE A 106 22.635 -7.574 -7.565 1.00 0.00 H
ATOM 1617 2HG1 ILE A 106 24.309 -7.279 -7.038 1.00 0.00 H
ATOM 1618 CD ILE A 106 23.005 -5.530 -6.881 1.00 0.00 C
ATOM 1619 HD1 ILE A 106 22.719 -5.748 -5.852 1.00 0.00 H
ATOM 1620 HD2 ILE A 106 23.825 -4.812 -6.886 1.00 0.00 H
ATOM 1621 HD3 ILE A 106 22.152 -5.108 -7.413 1.00 0.00 H
ATOM 1622 C ILE A 106 25.088 -7.706 -11.084 1.00 0.00 C
ATOM 1623 O ILE A 106 25.842 -6.796 -11.450 1.00 0.00 O
ATOM 1624 N THR A 107 24.534 -8.610 -11.926 1.00 0.00 N
ATOM 1625 H THR A 107 23.888 -9.300 -11.572 1.00 0.00 H
ATOM 1626 CA THR A 107 24.820 -8.654 -13.365 1.00 0.00 C
ATOM 1627 HA THR A 107 25.717 -8.072 -13.576 1.00 0.00 H
ATOM 1628 CB THR A 107 25.224 -10.087 -13.776 1.00 0.00 C
ATOM 1629 HB THR A 107 25.326 -10.140 -14.860 1.00 0.00 H
ATOM 1630 CG2 THR A 107 26.584 -10.505 -13.192 1.00 0.00 C
ATOM 1631 1HG2 THR A 107 26.821 -11.520 -13.511 1.00 0.00 H
ATOM 1632 2HG2 THR A 107 27.357 -9.824 -13.547 1.00 0.00 H
ATOM 1633 3HG2 THR A 107 26.539 -10.468 -12.103 1.00 0.00 H
ATOM 1634 OG1 THR A 107 24.217 -10.983 -13.317 1.00 0.00 O
ATOM 1635 HG1 THR A 107 24.123 -11.707 -13.940 1.00 0.00 H
ATOM 1636 C THR A 107 23.640 -8.163 -14.200 1.00 0.00 C
ATOM 1637 O THR A 107 23.824 -7.787 -15.360 1.00 0.00 O
ATOM 1638 N GLU A 108 22.437 -8.185 -13.614 1.00 0.00 N
ATOM 1639 H GLU A 108 22.345 -8.509 -12.662 1.00 0.00 H
ATOM 1640 CA GLU A 108 21.194 -7.766 -14.253 1.00 0.00 C
ATOM 1641 HA GLU A 108 21.403 -6.967 -14.965 1.00 0.00 H
ATOM 1642 CB GLU A 108 20.525 -8.945 -14.995 1.00 0.00 C
ATOM 1643 HB1 GLU A 108 20.519 -9.824 -14.351 1.00 0.00 H
ATOM 1644 HB2 GLU A 108 19.500 -8.677 -15.253 1.00 0.00 H
ATOM 1645 CG GLU A 108 21.196 -9.371 -16.295 1.00 0.00 C
ATOM 1646 HG1 GLU A 108 21.027 -8.611 -17.058 1.00 0.00 H
ATOM 1647 HG2 GLU A 108 22.267 -9.487 -16.130 1.00 0.00 H
ATOM 1648 CD GLU A 108 20.678 -10.683 -16.843 1.00 0.00 C
ATOM 1649 OE1 GLU A 108 19.467 -10.767 -17.145 1.00 0.00 O
ATOM 1650 OE2 GLU A 108 21.483 -11.633 -16.965 1.00 0.00 O
ATOM 1651 C GLU A 108 20.244 -7.259 -13.188 1.00 0.00 C
ATOM 1652 O GLU A 108 20.158 -7.828 -12.098 1.00 0.00 O
ATOM 1653 N SER A 109 19.505 -6.198 -13.509 1.00 0.00 N
ATOM 1654 H SER A 109 19.600 -5.774 -14.421 1.00 0.00 H
ATOM 1655 CA SER A 109 18.543 -5.615 -12.575 1.00 0.00 C
ATOM 1656 HA SER A 109 18.079 -6.408 -11.989 1.00 0.00 H
ATOM 1657 CB SER A 109 19.238 -4.697 -11.568 1.00 0.00 C
ATOM 1658 HB1 SER A 109 18.495 -4.262 -10.899 1.00 0.00 H
ATOM 1659 HB2 SER A 109 19.957 -5.273 -10.986 1.00 0.00 H
ATOM 1660 OG SER A 109 19.912 -3.662 -12.264 1.00 0.00 O
ATOM 1661 HG SER A 109 19.279 -3.155 -12.776 1.00 0.00 H
ATOM 1662 C SER A 109 17.471 -4.820 -13.317 1.00 0.00 C
ATOM 1663 O SER A 109 17.713 -4.319 -14.418 1.00 0.00 O
ATOM 1664 N ASP A 110 16.319 -4.666 -12.669 1.00 0.00 N
ATOM 1665 H ASP A 110 16.187 -5.098 -11.766 1.00 0.00 H
ATOM 1666 CA ASP A 110 15.192 -3.891 -13.188 1.00 0.00 C
ATOM 1667 HA ASP A 110 15.525 -3.282 -14.029 1.00 0.00 H
ATOM 1668 CB ASP A 110 14.105 -4.810 -13.794 1.00 0.00 C
ATOM 1669 HB1 ASP A 110 14.544 -5.424 -14.581 1.00 0.00 H
ATOM 1670 HB2 ASP A 110 13.698 -5.455 -13.015 1.00 0.00 H
ATOM 1671 CG ASP A 110 12.920 -4.069 -14.420 1.00 0.00 C
ATOM 1672 OD1 ASP A 110 11.908 -4.724 -14.735 1.00 0.00 O
ATOM 1673 OD2 ASP A 110 13.003 -2.830 -14.583 1.00 0.00 O
ATOM 1674 C ASP A 110 14.651 -3.060 -12.044 1.00 0.00 C
ATOM 1675 O ASP A 110 14.275 -3.604 -11.000 1.00 0.00 O
ATOM 1676 N LYS A 111 14.656 -1.731 -12.239 1.00 0.00 N
ATOM 1677 H LYS A 111 14.989 -1.350 -13.113 1.00 0.00 H
ATOM 1678 CA LYS A 111 14.204 -0.733 -11.266 1.00 0.00 C
ATOM 1679 HA LYS A 111 14.414 0.266 -11.646 1.00 0.00 H
ATOM 1680 CB LYS A 111 12.661 -0.701 -11.169 1.00 0.00 C
ATOM 1681 HB1 LYS A 111 12.299 -1.661 -10.801 1.00 0.00 H
ATOM 1682 HB2 LYS A 111 12.356 0.089 -10.483 1.00 0.00 H
ATOM 1683 CG LYS A 111 11.919 -0.440 -12.473 1.00 0.00 C
ATOM 1684 HG1 LYS A 111 11.959 0.623 -12.708 1.00 0.00 H
ATOM 1685 HG2 LYS A 111 12.386 -1.007 -13.278 1.00 0.00 H
ATOM 1686 CD LYS A 111 10.477 -0.878 -12.301 1.00 0.00 C
ATOM 1687 HD1 LYS A 111 10.450 -1.900 -11.923 1.00 0.00 H
ATOM 1688 HD2 LYS A 111 9.978 -0.216 -11.594 1.00 0.00 H
ATOM 1689 CE LYS A 111 9.654 -0.863 -13.562 1.00 0.00 C
ATOM 1690 HE1 LYS A 111 9.729 0.117 -14.033 1.00 0.00 H
ATOM 1691 HE2 LYS A 111 10.026 -1.625 -14.248 1.00 0.00 H
ATOM 1692 NZ LYS A 111 8.223 -1.144 -13.260 1.00 0.00 N
ATOM 1693 HZ1 LYS A 111 7.767 -1.497 -14.089 1.00 0.00 H
ATOM 1694 HZ2 LYS A 111 8.162 -1.833 -12.524 1.00 0.00 H
ATOM 1695 HZ3 LYS A 111 7.767 -0.293 -12.963 1.00 0.00 H
ATOM 1696 C LYS A 111 14.845 -0.977 -9.879 1.00 0.00 C
ATOM 1697 O LYS A 111 14.146 -1.031 -8.859 1.00 0.00 O
ATOM 1698 N PHE A 112 16.171 -1.192 -9.861 1.00 0.00 N
ATOM 1699 H PHE A 112 16.691 -1.212 -10.726 1.00 0.00 H
ATOM 1700 CA PHE A 112 16.895 -1.401 -8.605 1.00 0.00 C
ATOM 1701 HA PHE A 112 16.183 -1.594 -7.802 1.00 0.00 H
ATOM 1702 CB PHE A 112 17.734 -2.699 -8.658 1.00 0.00 C
ATOM 1703 HB1 PHE A 112 17.076 -3.551 -8.832 1.00 0.00 H
ATOM 1704 HB2 PHE A 112 18.460 -2.630 -9.468 1.00 0.00 H
ATOM 1705 CG PHE A 112 18.502 -2.976 -7.386 1.00 0.00 C
ATOM 1706 CD1 PHE A 112 17.856 -3.462 -6.258 1.00 0.00 C
ATOM 1707 HD1 PHE A 112 16.793 -3.651 -6.284 1.00 0.00 H
ATOM 1708 CE1 PHE A 112 18.566 -3.713 -5.082 1.00 0.00 C
ATOM 1709 HE1 PHE A 112 18.046 -4.058 -4.200 1.00 0.00 H
ATOM 1710 CZ PHE A 112 19.939 -3.520 -5.043 1.00 0.00 C
ATOM 1711 HZ PHE A 112 20.491 -3.749 -4.143 1.00 0.00 H
ATOM 1712 CE2 PHE A 112 20.594 -3.037 -6.150 1.00 0.00 C
ATOM 1713 HE2 PHE A 112 21.659 -2.861 -6.116 1.00 0.00 H
ATOM 1714 CD2 PHE A 112 19.879 -2.772 -7.326 1.00 0.00 C
ATOM 1715 HD2 PHE A 112 20.408 -2.406 -8.193 1.00 0.00 H
ATOM 1716 C PHE A 112 17.749 -0.164 -8.366 1.00 0.00 C
ATOM 1717 O PHE A 112 17.480 0.576 -7.412 1.00 0.00 O
ATOM 1718 N PHE A 113 18.735 0.104 -9.259 1.00 0.00 N
ATOM 1719 H PHE A 113 18.906 -0.529 -10.027 1.00 0.00 H
ATOM 1720 CA PHE A 113 19.577 1.298 -9.149 1.00 0.00 C
ATOM 1721 HA PHE A 113 20.038 1.329 -8.161 1.00 0.00 H
ATOM 1722 CB PHE A 113 20.801 1.226 -10.074 1.00 0.00 C
ATOM 1723 HB1 PHE A 113 20.471 1.114 -11.107 1.00 0.00 H
ATOM 1724 HB2 PHE A 113 21.386 2.141 -9.977 1.00 0.00 H
ATOM 1725 CG PHE A 113 21.689 0.052 -9.727 1.00 0.00 C
ATOM 1726 CD1 PHE A 113 21.806 -1.026 -10.596 1.00 0.00 C
ATOM 1727 HD1 PHE A 113 21.310 -1.004 -11.555 1.00 0.00 H
ATOM 1728 CE1 PHE A 113 22.565 -2.152 -10.243 1.00 0.00 C
ATOM 1729 HE1 PHE A 113 22.664 -2.975 -10.935 1.00 0.00 H
ATOM 1730 CZ PHE A 113 23.185 -2.206 -9.014 1.00 0.00 C
ATOM 1731 HZ PHE A 113 23.752 -3.081 -8.734 1.00 0.00 H
ATOM 1732 CE2 PHE A 113 23.082 -1.143 -8.138 1.00 0.00 C
ATOM 1733 HE2 PHE A 113 23.596 -1.174 -7.188 1.00 0.00 H
ATOM 1734 CD2 PHE A 113 22.311 -0.026 -8.480 1.00 0.00 C
ATOM 1735 HD2 PHE A 113 22.201 0.779 -7.770 1.00 0.00 H
ATOM 1736 C PHE A 113 18.758 2.558 -9.438 1.00 0.00 C
ATOM 1737 O PHE A 113 17.897 2.540 -10.315 1.00 0.00 O
ATOM 1738 N ILE A 114 19.013 3.634 -8.685 1.00 0.00 N
ATOM 1739 H ILE A 114 19.724 3.592 -7.968 1.00 0.00 H
ATOM 1740 CA ILE A 114 18.295 4.906 -8.850 1.00 0.00 C
ATOM 1741 HA ILE A 114 17.409 4.746 -9.465 1.00 0.00 H
ATOM 1742 CB ILE A 114 17.693 5.389 -7.497 1.00 0.00 C
ATOM 1743 HB ILE A 114 18.499 5.688 -6.827 1.00 0.00 H
ATOM 1744 CG2 ILE A 114 16.984 6.756 -7.654 1.00 0.00 C
ATOM 1745 1HG2 ILE A 114 16.575 7.066 -6.692 1.00 0.00 H
ATOM 1746 2HG2 ILE A 114 17.701 7.500 -8.000 1.00 0.00 H
ATOM 1747 3HG2 ILE A 114 16.176 6.666 -8.380 1.00 0.00 H
ATOM 1748 CG1 ILE A 114 16.755 4.322 -6.872 1.00 0.00 C
ATOM 1749 1HG1 ILE A 114 15.839 4.255 -7.459 1.00 0.00 H
ATOM 1750 2HG1 ILE A 114 17.256 3.354 -6.870 1.00 0.00 H
ATOM 1751 CD ILE A 114 16.349 4.616 -5.446 1.00 0.00 C
ATOM 1752 HD1 ILE A 114 15.694 3.824 -5.083 1.00 0.00 H
ATOM 1753 HD2 ILE A 114 17.238 4.668 -4.818 1.00 0.00 H
ATOM 1754 HD3 ILE A 114 15.821 5.569 -5.407 1.00 0.00 H
ATOM 1755 C ILE A 114 19.234 5.946 -9.447 1.00 0.00 C
ATOM 1756 O ILE A 114 20.343 6.143 -8.953 1.00 0.00 O
ATOM 1757 N ASN A 115 18.782 6.633 -10.490 1.00 0.00 N
ATOM 1758 H ASN A 115 17.864 6.439 -10.863 1.00 0.00 H
ATOM 1759 CA ASN A 115 19.582 7.676 -11.127 1.00 0.00 C
ATOM 1760 HA ASN A 115 20.512 7.245 -11.499 1.00 0.00 H
ATOM 1761 CB ASN A 115 18.911 8.166 -12.417 1.00 0.00 C
ATOM 1762 HB1 ASN A 115 18.612 7.308 -13.020 1.00 0.00 H
ATOM 1763 HB2 ASN A 115 18.030 8.758 -12.167 1.00 0.00 H
ATOM 1764 CG ASN A 115 19.789 9.038 -13.300 1.00 0.00 C
ATOM 1765 OD1 ASN A 115 21.109 9.022 -13.103 1.00 0.00 O
ATOM 1766 ND2 ASN A 115 19.294 9.724 -14.196 1.00 0.00 N
ATOM 1767 1HD2 ASN A 115 18.296 9.710 -14.349 1.00 0.00 H
ATOM 1768 2HD2 ASN A 115 19.887 10.299 -14.777 1.00 0.00 H
ATOM 1769 C ASN A 115 19.838 8.841 -10.159 1.00 0.00 C
ATOM 1770 O ASN A 115 18.896 9.395 -9.584 1.00 0.00 O
ATOM 1771 N GLY A 116 21.117 9.156 -9.965 1.00 0.00 N
ATOM 1772 H GLY A 116 21.843 8.630 -10.430 1.00 0.00 H
ATOM 1773 CA GLY A 116 21.571 10.244 -9.102 1.00 0.00 C
ATOM 1774 HA1 GLY A 116 22.577 10.545 -9.395 1.00 0.00 H
ATOM 1775 HA2 GLY A 116 20.895 11.093 -9.201 1.00 0.00 H
ATOM 1776 C GLY A 116 21.644 9.942 -7.617 1.00 0.00 C
ATOM 1777 O GLY A 116 22.008 10.825 -6.837 1.00 0.00 O
ATOM 1778 N SER A 117 21.336 8.687 -7.208 1.00 0.00 N
ATOM 1779 H SER A 117 21.077 7.984 -7.886 1.00 0.00 H
ATOM 1780 CA SER A 117 21.351 8.256 -5.800 1.00 0.00 C
ATOM 1781 HA SER A 117 20.728 8.926 -5.208 1.00 0.00 H
ATOM 1782 CB SER A 117 20.775 6.849 -5.687 1.00 0.00 C
ATOM 1783 HB1 SER A 117 20.570 6.624 -4.640 1.00 0.00 H
ATOM 1784 HB2 SER A 117 19.850 6.788 -6.259 1.00 0.00 H
ATOM 1785 OG SER A 117 21.719 5.917 -6.200 1.00 0.00 O
ATOM 1786 HG SER A 117 21.423 5.601 -7.057 1.00 0.00 H
ATOM 1787 C SER A 117 22.765 8.254 -5.216 1.00 0.00 C
ATOM 1788 O SER A 117 22.930 8.363 -4.000 1.00 0.00 O
ATOM 1789 N ASN A 118 23.774 8.079 -6.098 1.00 0.00 N
ATOM 1790 H ASN A 118 23.574 8.004 -7.085 1.00 0.00 H
ATOM 1791 CA ASN A 118 25.192 7.979 -5.776 1.00 0.00 C
ATOM 1792 HA ASN A 118 25.783 8.250 -6.651 1.00 0.00 H
ATOM 1793 CB ASN A 118 25.741 9.216 -5.023 1.00 0.00 C
ATOM 1794 HB1 ASN A 118 25.234 10.113 -5.377 1.00 0.00 H
ATOM 1795 HB2 ASN A 118 25.566 9.098 -3.953 1.00 0.00 H
ATOM 1796 CG ASN A 118 27.237 9.439 -5.212 1.00 0.00 C
ATOM 1797 OD1 ASN A 118 27.781 9.329 -6.314 1.00 0.00 O
ATOM 1798 ND2 ASN A 118 27.926 9.800 -4.137 1.00 0.00 N
ATOM 1799 1HD2 ASN A 118 27.455 9.914 -3.251 1.00 0.00 H
ATOM 1800 2HD2 ASN A 118 28.921 9.962 -4.206 1.00 0.00 H
ATOM 1801 C ASN A 118 25.608 6.653 -5.100 1.00 0.00 C
ATOM 1802 O ASN A 118 26.743 6.556 -4.641 1.00 0.00 O
ATOM 1803 N TRP A 119 24.712 5.647 -5.025 1.00 0.00 N
ATOM 1804 H TRP A 119 23.770 5.784 -5.362 1.00 0.00 H
ATOM 1805 CA TRP A 119 25.104 4.354 -4.456 1.00 0.00 C
ATOM 1806 HA TRP A 119 26.016 4.475 -3.872 1.00 0.00 H
ATOM 1807 CB TRP A 119 24.290 3.921 -3.227 1.00 0.00 C
ATOM 1808 HB1 TRP A 119 24.533 2.888 -2.976 1.00 0.00 H
ATOM 1809 HB2 TRP A 119 24.534 4.566 -2.384 1.00 0.00 H
ATOM 1810 CG TRP A 119 22.806 3.970 -3.363 1.00 0.00 C
ATOM 1811 CD1 TRP A 119 21.979 4.943 -2.882 1.00 0.00 C
ATOM 1812 HD1 TRP A 119 22.395 5.812 -2.394 1.00 0.00 H
ATOM 1813 NE1 TRP A 119 20.670 4.615 -3.124 1.00 0.00 N
ATOM 1814 HE1 TRP A 119 19.932 5.245 -2.844 1.00 0.00 H
ATOM 1815 CE2 TRP A 119 20.624 3.393 -3.751 1.00 0.00 C
ATOM 1816 CZ2 TRP A 119 19.530 2.642 -4.195 1.00 0.00 C
ATOM 1817 HZ2 TRP A 119 18.526 3.019 -4.061 1.00 0.00 H
ATOM 1818 CH2 TRP A 119 19.795 1.435 -4.793 1.00 0.00 C
ATOM 1819 HH2 TRP A 119 18.985 0.836 -5.183 1.00 0.00 H
ATOM 1820 CZ3 TRP A 119 21.106 0.947 -4.915 1.00 0.00 C
ATOM 1821 HZ3 TRP A 119 21.261 -0.036 -5.334 1.00 0.00 H
ATOM 1822 CE3 TRP A 119 22.190 1.704 -4.508 1.00 0.00 C
ATOM 1823 HE3 TRP A 119 23.202 1.347 -4.637 1.00 0.00 H
ATOM 1824 CD2 TRP A 119 21.958 2.958 -3.917 1.00 0.00 C
ATOM 1825 C TRP A 119 25.145 3.292 -5.540 1.00 0.00 C
ATOM 1826 O TRP A 119 24.450 3.405 -6.554 1.00 0.00 O
ATOM 1827 N GLU A 120 26.010 2.309 -5.348 1.00 0.00 N
ATOM 1828 H GLU A 120 26.534 2.258 -4.487 1.00 0.00 H
ATOM 1829 CA GLU A 120 26.271 1.256 -6.322 1.00 0.00 C
ATOM 1830 HA GLU A 120 25.674 1.431 -7.217 1.00 0.00 H
ATOM 1831 CB GLU A 120 27.748 1.323 -6.762 1.00 0.00 C
ATOM 1832 HB1 GLU A 120 28.391 1.289 -5.882 1.00 0.00 H
ATOM 1833 HB2 GLU A 120 27.974 0.475 -7.409 1.00 0.00 H
ATOM 1834 CG GLU A 120 28.078 2.589 -7.527 1.00 0.00 C
ATOM 1835 HG1 GLU A 120 28.659 2.337 -8.414 1.00 0.00 H
ATOM 1836 HG2 GLU A 120 27.154 3.084 -7.826 1.00 0.00 H
ATOM 1837 CD GLU A 120 28.884 3.649 -6.809 1.00 0.00 C
ATOM 1838 OE1 GLU A 120 29.060 4.723 -7.418 1.00 0.00 O
ATOM 1839 OE2 GLU A 120 29.458 3.376 -5.731 1.00 0.00 O
ATOM 1840 C GLU A 120 25.973 -0.134 -5.793 1.00 0.00 C
ATOM 1841 O GLU A 120 26.242 -1.128 -6.475 1.00 0.00 O
ATOM 1842 N GLY A 121 25.449 -0.204 -4.579 1.00 0.00 N
ATOM 1843 H GLY A 121 25.247 0.642 -4.067 1.00 0.00 H
ATOM 1844 CA GLY A 121 25.157 -1.501 -3.969 1.00 0.00 C
ATOM 1845 HA1 GLY A 121 24.565 -2.103 -4.659 1.00 0.00 H
ATOM 1846 HA2 GLY A 121 26.091 -2.017 -3.746 1.00 0.00 H
ATOM 1847 C GLY A 121 24.380 -1.334 -2.688 1.00 0.00 C
ATOM 1848 O GLY A 121 24.108 -0.206 -2.285 1.00 0.00 O
ATOM 1849 N ILE A 122 23.994 -2.443 -2.060 1.00 0.00 N
ATOM 1850 H ILE A 122 24.244 -3.348 -2.433 1.00 0.00 H
ATOM 1851 CA ILE A 122 23.210 -2.400 -0.832 1.00 0.00 C
ATOM 1852 HA ILE A 122 23.098 -1.365 -0.507 1.00 0.00 H
ATOM 1853 CB ILE A 122 21.697 -2.738 -1.048 1.00 0.00 C
ATOM 1854 HB ILE A 122 21.134 -2.475 -0.153 1.00 0.00 H
ATOM 1855 CG2 ILE A 122 21.050 -1.769 -2.039 1.00 0.00 C
ATOM 1856 1HG2 ILE A 122 20.000 -2.029 -2.169 1.00 0.00 H
ATOM 1857 2HG2 ILE A 122 21.127 -0.751 -1.655 1.00 0.00 H
ATOM 1858 3HG2 ILE A 122 21.562 -1.834 -2.999 1.00 0.00 H
ATOM 1859 CG1 ILE A 122 21.499 -4.216 -1.472 1.00 0.00 C
ATOM 1860 1HG1 ILE A 122 21.838 -4.348 -2.499 1.00 0.00 H
ATOM 1861 2HG1 ILE A 122 22.077 -4.864 -0.813 1.00 0.00 H
ATOM 1862 CD ILE A 122 19.990 -4.656 -1.392 1.00 0.00 C
ATOM 1863 HD1 ILE A 122 19.898 -5.698 -1.697 1.00 0.00 H
ATOM 1864 HD2 ILE A 122 19.632 -4.545 -0.368 1.00 0.00 H
ATOM 1865 HD3 ILE A 122 19.393 -4.029 -2.055 1.00 0.00 H
ATOM 1866 C ILE A 122 23.803 -3.288 0.238 1.00 0.00 C
ATOM 1867 O ILE A 122 24.325 -4.366 -0.053 1.00 0.00 O
ATOM 1868 N LEU A 123 23.729 -2.808 1.483 1.00 0.00 N
ATOM 1869 H LEU A 123 23.326 -1.897 1.651 1.00 0.00 H
ATOM 1870 CA LEU A 123 24.212 -3.549 2.640 1.00 0.00 C
ATOM 1871 HA LEU A 123 24.790 -4.410 2.305 1.00 0.00 H
ATOM 1872 CB LEU A 123 25.144 -2.673 3.513 1.00 0.00 C
ATOM 1873 HB1 LEU A 123 25.988 -2.331 2.914 1.00 0.00 H
ATOM 1874 HB2 LEU A 123 24.591 -1.811 3.885 1.00 0.00 H
ATOM 1875 CG LEU A 123 25.748 -3.374 4.758 1.00 0.00 C
ATOM 1876 HG LEU A 123 24.964 -3.548 5.494 1.00 0.00 H
ATOM 1877 CD1 LEU A 123 26.483 -4.681 4.365 1.00 0.00 C
ATOM 1878 1HD1 LEU A 123 26.895 -5.149 5.258 1.00 0.00 H
ATOM 1879 2HD1 LEU A 123 25.780 -5.364 3.889 1.00 0.00 H
ATOM 1880 3HD1 LEU A 123 27.291 -4.449 3.670 1.00 0.00 H
ATOM 1881 CD2 LEU A 123 26.679 -2.414 5.531 1.00 0.00 C
ATOM 1882 1HD2 LEU A 123 27.091 -2.928 6.399 1.00 0.00 H
ATOM 1883 2HD2 LEU A 123 27.493 -2.094 4.880 1.00 0.00 H
ATOM 1884 3HD2 LEU A 123 26.112 -1.543 5.859 1.00 0.00 H
ATOM 1885 C LEU A 123 23.000 -3.978 3.430 1.00 0.00 C
ATOM 1886 O LEU A 123 22.415 -3.168 4.171 1.00 0.00 O
ATOM 1887 N GLY A 124 22.603 -5.240 3.233 1.00 0.00 N
ATOM 1888 H GLY A 124 23.087 -5.823 2.565 1.00 0.00 H
ATOM 1889 CA GLY A 124 21.474 -5.810 3.966 1.00 0.00 C
ATOM 1890 HA1 GLY A 124 20.660 -5.086 4.000 1.00 0.00 H
ATOM 1891 HA2 GLY A 124 21.134 -6.716 3.465 1.00 0.00 H
ATOM 1892 C GLY A 124 21.906 -6.148 5.379 1.00 0.00 C
ATOM 1893 O GLY A 124 22.712 -7.060 5.600 1.00 0.00 O
ATOM 1894 N LEU A 125 21.374 -5.404 6.352 1.00 0.00 N
ATOM 1895 H LEU A 125 20.672 -4.712 6.131 1.00 0.00 H
ATOM 1896 CA LEU A 125 21.772 -5.554 7.743 1.00 0.00 C
ATOM 1897 HA LEU A 125 22.800 -5.913 7.790 1.00 0.00 H
ATOM 1898 CB LEU A 125 21.959 -4.163 8.396 1.00 0.00 C
ATOM 1899 HB1 LEU A 125 21.062 -3.564 8.240 1.00 0.00 H
ATOM 1900 HB2 LEU A 125 22.132 -4.283 9.466 1.00 0.00 H
ATOM 1901 CG LEU A 125 23.136 -3.347 7.847 1.00 0.00 C
ATOM 1902 HG LEU A 125 23.138 -3.399 6.758 1.00 0.00 H
ATOM 1903 CD1 LEU A 125 22.992 -1.889 8.270 1.00 0.00 C
ATOM 1904 1HD1 LEU A 125 23.830 -1.312 7.878 1.00 0.00 H
ATOM 1905 2HD1 LEU A 125 22.059 -1.486 7.876 1.00 0.00 H
ATOM 1906 3HD1 LEU A 125 22.984 -1.824 9.358 1.00 0.00 H
ATOM 1907 CD2 LEU A 125 24.493 -3.875 8.398 1.00 0.00 C
ATOM 1908 1HD2 LEU A 125 25.309 -3.277 7.991 1.00 0.00 H
ATOM 1909 2HD2 LEU A 125 24.498 -3.802 9.486 1.00 0.00 H
ATOM 1910 3HD2 LEU A 125 24.625 -4.916 8.104 1.00 0.00 H
ATOM 1911 C LEU A 125 20.850 -6.426 8.591 1.00 0.00 C
ATOM 1912 O LEU A 125 21.129 -6.607 9.782 1.00 0.00 O
ATOM 1913 N ALA A 126 19.748 -6.938 8.005 1.00 0.00 N
ATOM 1914 H ALA A 126 19.549 -6.732 7.037 1.00 0.00 H
ATOM 1915 CA ALA A 126 18.828 -7.800 8.769 1.00 0.00 C
ATOM 1916 HA ALA A 126 18.631 -7.349 9.742 1.00 0.00 H
ATOM 1917 CB ALA A 126 17.425 -7.785 8.141 1.00 0.00 C
ATOM 1918 HB1 ALA A 126 16.761 -8.428 8.719 1.00 0.00 H
ATOM 1919 HB2 ALA A 126 17.037 -6.767 8.142 1.00 0.00 H
ATOM 1920 HB3 ALA A 126 17.482 -8.151 7.116 1.00 0.00 H
ATOM 1921 C ALA A 126 19.436 -9.239 8.862 1.00 0.00 C
ATOM 1922 O ALA A 126 20.584 -9.464 8.457 1.00 0.00 O
ATOM 1923 N TYR A 127 18.669 -10.185 9.393 1.00 0.00 N
ATOM 1924 H TYR A 127 17.701 -9.990 9.602 1.00 0.00 H
ATOM 1925 CA TYR A 127 19.129 -11.534 9.710 1.00 0.00 C
ATOM 1926 HA TYR A 127 20.103 -11.481 10.197 1.00 0.00 H
ATOM 1927 CB TYR A 127 18.306 -12.066 10.883 1.00 0.00 C
ATOM 1928 HB1 TYR A 127 17.251 -12.076 10.612 1.00 0.00 H
ATOM 1929 HB2 TYR A 127 18.629 -13.079 11.124 1.00 0.00 H
ATOM 1930 CG TYR A 127 18.455 -11.222 12.136 1.00 0.00 C
ATOM 1931 CD1 TYR A 127 17.501 -10.260 12.471 1.00 0.00 C
ATOM 1932 HD1 TYR A 127 16.665 -10.077 11.813 1.00 0.00 H
ATOM 1933 CE1 TYR A 127 17.602 -9.522 13.647 1.00 0.00 C
ATOM 1934 HE1 TYR A 127 16.839 -8.801 13.899 1.00 0.00 H
ATOM 1935 CZ TYR A 127 18.683 -9.715 14.491 1.00 0.00 C
ATOM 1936 OH TYR A 127 18.776 -8.983 15.650 1.00 0.00 O
ATOM 1937 HH TYR A 127 19.361 -9.431 16.265 1.00 0.00 H
ATOM 1938 CE2 TYR A 127 19.651 -10.657 14.175 1.00 0.00 C
ATOM 1939 HE2 TYR A 127 20.499 -10.807 14.827 1.00 0.00 H
ATOM 1940 CD2 TYR A 127 19.526 -11.411 13.008 1.00 0.00 C
ATOM 1941 HD2 TYR A 127 20.279 -12.152 12.785 1.00 0.00 H
ATOM 1942 C TYR A 127 19.164 -12.544 8.573 1.00 0.00 C
ATOM 1943 O TYR A 127 18.500 -12.360 7.556 1.00 0.00 O
ATOM 1944 N ALA A 128 19.926 -13.633 8.771 1.00 0.00 N
ATOM 1945 H ALA A 128 20.441 -13.739 9.633 1.00 0.00 H
ATOM 1946 CA ALA A 128 20.066 -14.716 7.791 1.00 0.00 C
ATOM 1947 HA ALA A 128 20.644 -14.361 6.938 1.00 0.00 H
ATOM 1948 CB ALA A 128 20.986 -15.815 8.333 1.00 0.00 C
ATOM 1949 HB1 ALA A 128 21.078 -16.610 7.593 1.00 0.00 H
ATOM 1950 HB2 ALA A 128 21.971 -15.396 8.540 1.00 0.00 H
ATOM 1951 HB3 ALA A 128 20.564 -16.222 9.252 1.00 0.00 H
ATOM 1952 C ALA A 128 18.740 -15.324 7.329 1.00 0.00 C
ATOM 1953 O ALA A 128 18.622 -15.689 6.159 1.00 0.00 O
ATOM 1954 N GLU A 129 17.722 -15.386 8.201 1.00 0.00 N
ATOM 1955 H GLU A 129 17.840 -15.035 9.140 1.00 0.00 H
ATOM 1956 CA GLU A 129 16.427 -15.961 7.807 1.00 0.00 C
ATOM 1957 HA GLU A 129 16.505 -17.048 7.780 1.00 0.00 H
ATOM 1958 CB GLU A 129 15.363 -15.724 8.876 1.00 0.00 C
ATOM 1959 HB1 GLU A 129 15.770 -15.972 9.856 1.00 0.00 H
ATOM 1960 HB2 GLU A 129 15.062 -14.676 8.863 1.00 0.00 H
ATOM 1961 CG GLU A 129 14.139 -16.585 8.625 1.00 0.00 C
ATOM 1962 HG1 GLU A 129 13.640 -16.252 7.715 1.00 0.00 H
ATOM 1963 HG2 GLU A 129 14.443 -17.626 8.512 1.00 0.00 H
ATOM 1964 CD GLU A 129 13.111 -16.548 9.725 1.00 0.00 C
ATOM 1965 OE1 GLU A 129 13.494 -16.691 10.906 1.00 0.00 O
ATOM 1966 OE2 GLU A 129 11.925 -16.315 9.410 1.00 0.00 O
ATOM 1967 C GLU A 129 15.915 -15.438 6.470 1.00 0.00 C
ATOM 1968 O GLU A 129 15.320 -16.200 5.721 1.00 0.00 O
ATOM 1969 N ILE A 130 16.121 -14.137 6.180 1.00 0.00 N
ATOM 1970 H ILE A 130 16.622 -13.548 6.830 1.00 0.00 H
ATOM 1971 CA ILE A 130 15.634 -13.540 4.936 1.00 0.00 C
ATOM 1972 HA ILE A 130 14.774 -14.104 4.574 1.00 0.00 H
ATOM 1973 CB ILE A 130 14.763 -12.277 5.222 1.00 0.00 C
ATOM 1974 HB ILE A 130 14.343 -11.905 4.287 1.00 0.00 H
ATOM 1975 CG2 ILE A 130 13.493 -12.675 5.991 1.00 0.00 C
ATOM 1976 1HG2 ILE A 130 12.892 -11.787 6.185 1.00 0.00 H
ATOM 1977 2HG2 ILE A 130 12.914 -13.381 5.395 1.00 0.00 H
ATOM 1978 3HG2 ILE A 130 13.771 -13.140 6.936 1.00 0.00 H
ATOM 1979 CG1 ILE A 130 15.599 -11.202 5.974 1.00 0.00 C
ATOM 1980 1HG1 ILE A 130 15.719 -11.498 7.017 1.00 0.00 H
ATOM 1981 2HG1 ILE A 130 16.580 -11.112 5.508 1.00 0.00 H
ATOM 1982 CD ILE A 130 14.968 -9.751 5.985 1.00 0.00 C
ATOM 1983 HD1 ILE A 130 15.623 -9.073 6.532 1.00 0.00 H
ATOM 1984 HD2 ILE A 130 14.853 -9.397 4.960 1.00 0.00 H
ATOM 1985 HD3 ILE A 130 13.992 -9.783 6.469 1.00 0.00 H
ATOM 1986 C ILE A 130 16.730 -13.302 3.879 1.00 0.00 C
ATOM 1987 O ILE A 130 16.511 -12.598 2.889 1.00 0.00 O
ATOM 1988 N ALA A 131 17.908 -13.915 4.083 1.00 0.00 N
ATOM 1989 H ALA A 131 18.053 -14.466 4.917 1.00 0.00 H
ATOM 1990 CA ALA A 131 18.976 -13.780 3.094 1.00 0.00 C
ATOM 1991 HA ALA A 131 19.110 -12.727 2.844 1.00 0.00 H
ATOM 1992 CB ALA A 131 20.293 -14.279 3.663 1.00 0.00 C
ATOM 1993 HB1 ALA A 131 21.077 -14.171 2.914 1.00 0.00 H
ATOM 1994 HB2 ALA A 131 20.552 -13.695 4.546 1.00 0.00 H
ATOM 1995 HB3 ALA A 131 20.195 -15.329 3.938 1.00 0.00 H
ATOM 1996 C ALA A 131 18.585 -14.590 1.859 1.00 0.00 C
ATOM 1997 O ALA A 131 17.884 -15.601 1.973 1.00 0.00 O
ATOM 1998 N ARG A 132 19.005 -14.131 0.685 1.00 0.00 N
ATOM 1999 H ARG A 132 19.519 -13.263 0.637 1.00 0.00 H
ATOM 2000 CA ARG A 132 18.731 -14.870 -0.547 1.00 0.00 C
ATOM 2001 HA ARG A 132 17.961 -15.618 -0.360 1.00 0.00 H
ATOM 2002 CB ARG A 132 18.129 -13.952 -1.617 1.00 0.00 C
ATOM 2003 HB1 ARG A 132 18.814 -13.128 -1.816 1.00 0.00 H
ATOM 2004 HB2 ARG A 132 17.967 -14.519 -2.533 1.00 0.00 H
ATOM 2005 CG ARG A 132 16.779 -13.329 -1.229 1.00 0.00 C
ATOM 2006 HG1 ARG A 132 16.877 -12.816 -0.272 1.00 0.00 H
ATOM 2007 HG2 ARG A 132 16.475 -12.615 -1.994 1.00 0.00 H
ATOM 2008 CD ARG A 132 15.688 -14.383 -1.097 1.00 0.00 C
ATOM 2009 HD1 ARG A 132 15.864 -15.182 -1.817 1.00 0.00 H
ATOM 2010 HD2 ARG A 132 15.700 -14.795 -0.088 1.00 0.00 H
ATOM 2011 NE ARG A 132 14.362 -13.819 -1.349 1.00 0.00 N
ATOM 2012 HE ARG A 132 13.851 -13.521 -0.531 1.00 0.00 H
ATOM 2013 CZ ARG A 132 13.820 -13.687 -2.558 1.00 0.00 C
ATOM 2014 NH1 ARG A 132 14.481 -14.079 -3.639 1.00 0.00 N
ATOM 2015 1HH1 ARG A 132 15.403 -14.482 -3.549 1.00 0.00 H
ATOM 2016 2HH1 ARG A 132 14.063 -13.975 -4.553 1.00 0.00 H
ATOM 2017 NH2 ARG A 132 12.611 -13.155 -2.694 1.00 0.00 N
ATOM 2018 1HH2 ARG A 132 12.099 -12.849 -1.879 1.00 0.00 H
ATOM 2019 2HH2 ARG A 132 12.203 -13.056 -3.613 1.00 0.00 H
ATOM 2020 C ARG A 132 20.015 -15.513 -1.058 1.00 0.00 C
ATOM 2021 O ARG A 132 21.085 -14.894 -0.953 1.00 0.00 O
ATOM 2022 N PRO A 133 19.964 -16.741 -1.628 1.00 0.00 N
ATOM 2023 CD PRO A 133 21.195 -17.341 -2.173 1.00 0.00 C
ATOM 2024 HD1 PRO A 133 21.692 -17.921 -1.395 1.00 0.00 H
ATOM 2025 HD2 PRO A 133 21.862 -16.552 -2.519 1.00 0.00 H
ATOM 2026 CG PRO A 133 20.688 -18.204 -3.299 1.00 0.00 C
ATOM 2027 HG1 PRO A 133 21.349 -19.050 -3.487 1.00 0.00 H
ATOM 2028 HG2 PRO A 133 20.561 -17.632 -4.218 1.00 0.00 H
ATOM 2029 CB PRO A 133 19.340 -18.710 -2.828 1.00 0.00 C
ATOM 2030 HB1 PRO A 133 19.438 -19.643 -2.272 1.00 0.00 H
ATOM 2031 HB2 PRO A 133 18.656 -18.857 -3.664 1.00 0.00 H
ATOM 2032 CA PRO A 133 18.783 -17.606 -1.892 1.00 0.00 C
ATOM 2033 HA PRO A 133 17.995 -17.014 -2.358 1.00 0.00 H
ATOM 2034 C PRO A 133 18.150 -18.255 -0.667 1.00 0.00 C
ATOM 2035 O PRO A 133 16.996 -18.655 -0.732 1.00 0.00 O
ATOM 2036 N ASP A 134 18.903 -18.373 0.434 1.00 0.00 N
ATOM 2037 H ASP A 134 19.839 -17.995 0.449 1.00 0.00 H
ATOM 2038 CA ASP A 134 18.462 -19.030 1.662 1.00 0.00 C
ATOM 2039 HA ASP A 134 17.414 -18.792 1.846 1.00 0.00 H
ATOM 2040 CB ASP A 134 18.519 -20.566 1.477 1.00 0.00 C
ATOM 2041 HB1 ASP A 134 18.148 -21.055 2.378 1.00 0.00 H
ATOM 2042 HB2 ASP A 134 17.899 -20.853 0.627 1.00 0.00 H
ATOM 2043 CG ASP A 134 19.923 -21.070 1.219 1.00 0.00 C
ATOM 2044 OD1 ASP A 134 20.242 -21.366 0.054 1.00 0.00 O
ATOM 2045 OD2 ASP A 134 20.721 -21.091 2.163 1.00 0.00 O
ATOM 2046 C ASP A 134 19.331 -18.595 2.837 1.00 0.00 C
ATOM 2047 O ASP A 134 20.322 -17.896 2.636 1.00 0.00 O
ATOM 2048 N ASP A 135 18.999 -19.058 4.052 1.00 0.00 N
ATOM 2049 H ASP A 135 18.228 -19.702 4.154 1.00 0.00 H
ATOM 2050 CA ASP A 135 19.699 -18.681 5.282 1.00 0.00 C
ATOM 2051 HA ASP A 135 19.612 -17.606 5.435 1.00 0.00 H
ATOM 2052 CB ASP A 135 18.843 -18.989 6.521 1.00 0.00 C
ATOM 2053 HB1 ASP A 135 19.347 -18.617 7.413 1.00 0.00 H
ATOM 2054 HB2 ASP A 135 17.873 -18.503 6.422 1.00 0.00 H
ATOM 2055 CG ASP A 135 18.565 -20.463 6.765 1.00 0.00 C
ATOM 2056 OD1 ASP A 135 19.220 -21.305 6.117 1.00 0.00 O
ATOM 2057 OD2 ASP A 135 17.756 -20.768 7.657 1.00 0.00 O
ATOM 2058 C ASP A 135 21.119 -19.187 5.439 1.00 0.00 C
ATOM 2059 O ASP A 135 21.774 -18.840 6.420 1.00 0.00 O
ATOM 2060 N SER A 136 21.615 -20.006 4.484 1.00 0.00 N
ATOM 2061 H SER A 136 21.028 -20.297 3.715 1.00 0.00 H
ATOM 2062 CA SER A 136 22.996 -20.480 4.548 1.00 0.00 C
ATOM 2063 HA SER A 136 23.229 -20.785 5.568 1.00 0.00 H
ATOM 2064 CB SER A 136 23.192 -21.765 3.738 1.00 0.00 C
ATOM 2065 HB1 SER A 136 24.168 -22.194 3.967 1.00 0.00 H
ATOM 2066 HB2 SER A 136 22.412 -22.481 3.996 1.00 0.00 H
ATOM 2067 OG SER A 136 23.129 -21.518 2.340 1.00 0.00 O
ATOM 2068 HG SER A 136 22.222 -21.326 2.090 1.00 0.00 H
ATOM 2069 C SER A 136 23.953 -19.399 4.059 1.00 0.00 C
ATOM 2070 O SER A 136 25.156 -19.498 4.342 1.00 0.00 O
ATOM 2071 N LEU A 137 23.439 -18.368 3.330 1.00 0.00 N
ATOM 2072 H LEU A 137 22.456 -18.354 3.099 1.00 0.00 H
ATOM 2073 CA LEU A 137 24.311 -17.275 2.876 1.00 0.00 C
ATOM 2074 HA LEU A 137 25.255 -17.686 2.518 1.00 0.00 H
ATOM 2075 CB LEU A 137 23.803 -16.610 1.601 1.00 0.00 C
ATOM 2076 HB1 LEU A 137 23.514 -17.376 0.882 1.00 0.00 H
ATOM 2077 HB2 LEU A 137 22.939 -15.987 1.835 1.00 0.00 H
ATOM 2078 CG LEU A 137 24.873 -15.714 0.942 1.00 0.00 C
ATOM 2079 HG LEU A 137 25.313 -15.059 1.694 1.00 0.00 H
ATOM 2080 CD1 LEU A 137 25.942 -16.573 0.230 1.00 0.00 C
ATOM 2081 1HD1 LEU A 137 26.686 -15.921 -0.228 1.00 0.00 H
ATOM 2082 2HD1 LEU A 137 26.427 -17.225 0.956 1.00 0.00 H
ATOM 2083 3HD1 LEU A 137 25.466 -17.179 -0.541 1.00 0.00 H
ATOM 2084 CD2 LEU A 137 24.255 -14.738 -0.007 1.00 0.00 C
ATOM 2085 1HD2 LEU A 137 25.035 -14.122 -0.455 1.00 0.00 H
ATOM 2086 2HD2 LEU A 137 23.725 -15.280 -0.791 1.00 0.00 H
ATOM 2087 3HD2 LEU A 137 23.553 -14.101 0.531 1.00 0.00 H
ATOM 2088 C LEU A 137 24.484 -16.263 4.008 1.00 0.00 C
ATOM 2089 O LEU A 137 23.621 -15.410 4.241 1.00 0.00 O
ATOM 2090 N GLU A 138 25.591 -16.383 4.737 1.00 0.00 N
ATOM 2091 H GLU A 138 26.282 -17.078 4.494 1.00 0.00 H
ATOM 2092 CA GLU A 138 25.861 -15.543 5.896 1.00 0.00 C
ATOM 2093 HA GLU A 138 25.148 -15.776 6.688 1.00 0.00 H
ATOM 2094 CB GLU A 138 27.215 -15.949 6.503 1.00 0.00 C
ATOM 2095 HB1 GLU A 138 27.219 -17.021 6.700 1.00 0.00 H
ATOM 2096 HB2 GLU A 138 28.015 -15.705 5.803 1.00 0.00 H
ATOM 2097 CG GLU A 138 27.545 -15.257 7.811 1.00 0.00 C
ATOM 2098 HG1 GLU A 138 27.685 -14.191 7.633 1.00 0.00 H
ATOM 2099 HG2 GLU A 138 26.726 -15.403 8.516 1.00 0.00 H
ATOM 2100 CD GLU A 138 28.803 -15.785 8.453 1.00 0.00 C
ATOM 2101 OE1 GLU A 138 28.695 -16.695 9.299 1.00 0.00 O
ATOM 2102 OE2 GLU A 138 29.903 -15.358 8.048 1.00 0.00 O
ATOM 2103 C GLU A 138 25.840 -14.025 5.592 1.00 0.00 C
ATOM 2104 O GLU A 138 26.609 -13.566 4.744 1.00 0.00 O
ATOM 2105 N PRO A 139 24.955 -13.237 6.264 1.00 0.00 N
ATOM 2106 CD PRO A 139 23.887 -13.632 7.204 1.00 0.00 C
ATOM 2107 HD1 PRO A 139 24.291 -13.677 8.216 1.00 0.00 H
ATOM 2108 HD2 PRO A 139 23.501 -14.612 6.924 1.00 0.00 H
ATOM 2109 CG PRO A 139 22.860 -12.509 7.019 1.00 0.00 C
ATOM 2110 HG1 PRO A 139 22.189 -12.394 7.870 1.00 0.00 H
ATOM 2111 HG2 PRO A 139 22.275 -12.605 6.105 1.00 0.00 H
ATOM 2112 CB PRO A 139 23.762 -11.290 6.918 1.00 0.00 C
ATOM 2113 HB1 PRO A 139 24.146 -10.980 7.889 1.00 0.00 H
ATOM 2114 HB2 PRO A 139 23.263 -10.447 6.439 1.00 0.00 H
ATOM 2115 CA PRO A 139 24.931 -11.767 6.031 1.00 0.00 C
ATOM 2116 HA PRO A 139 24.784 -11.570 4.969 1.00 0.00 H
ATOM 2117 C PRO A 139 26.242 -11.090 6.448 1.00 0.00 C
ATOM 2118 O PRO A 139 26.988 -11.628 7.271 1.00 0.00 O
ATOM 2119 N PHE A 140 26.523 -9.903 5.892 1.00 0.00 N
ATOM 2120 H PHE A 140 25.873 -9.483 5.242 1.00 0.00 H
ATOM 2121 CA PHE A 140 27.759 -9.190 6.201 1.00 0.00 C
ATOM 2122 HA PHE A 140 28.605 -9.718 5.760 1.00 0.00 H
ATOM 2123 CB PHE A 140 27.798 -7.830 5.473 1.00 0.00 C
ATOM 2124 HB1 PHE A 140 27.887 -7.994 4.400 1.00 0.00 H
ATOM 2125 HB2 PHE A 140 26.881 -7.279 5.682 1.00 0.00 H
ATOM 2126 CG PHE A 140 28.955 -6.960 5.896 1.00 0.00 C
ATOM 2127 CD1 PHE A 140 30.217 -7.126 5.323 1.00 0.00 C
ATOM 2128 HD1 PHE A 140 30.366 -7.868 4.552 1.00 0.00 H
ATOM 2129 CE1 PHE A 140 31.294 -6.343 5.733 1.00 0.00 C
ATOM 2130 HE1 PHE A 140 32.260 -6.467 5.266 1.00 0.00 H
ATOM 2131 CZ PHE A 140 31.126 -5.408 6.738 1.00 0.00 C
ATOM 2132 HZ PHE A 140 31.964 -4.812 7.067 1.00 0.00 H
ATOM 2133 CE2 PHE A 140 29.887 -5.232 7.324 1.00 0.00 C
ATOM 2134 HE2 PHE A 140 29.755 -4.503 8.109 1.00 0.00 H
ATOM 2135 CD2 PHE A 140 28.800 -6.006 6.897 1.00 0.00 C
ATOM 2136 HD2 PHE A 140 27.833 -5.855 7.354 1.00 0.00 H
ATOM 2137 C PHE A 140 28.004 -8.970 7.692 1.00 0.00 C
ATOM 2138 O PHE A 140 29.125 -9.183 8.160 1.00 0.00 O
ATOM 2139 N PHE A 141 26.979 -8.487 8.431 1.00 0.00 N
ATOM 2140 H PHE A 141 26.074 -8.345 8.007 1.00 0.00 H
ATOM 2141 CA PHE A 141 27.184 -8.171 9.846 1.00 0.00 C
ATOM 2142 HA PHE A 141 27.900 -7.354 9.937 1.00 0.00 H
ATOM 2143 CB PHE A 141 26.014 -7.363 10.423 1.00 0.00 C
ATOM 2144 HB1 PHE A 141 25.615 -6.701 9.654 1.00 0.00 H
ATOM 2145 HB2 PHE A 141 25.232 -8.043 10.758 1.00 0.00 H
ATOM 2146 CG PHE A 141 26.422 -6.512 11.599 1.00 0.00 C
ATOM 2147 CD1 PHE A 141 26.928 -5.234 11.411 1.00 0.00 C
ATOM 2148 HD1 PHE A 141 27.017 -4.831 10.413 1.00 0.00 H
ATOM 2149 CE1 PHE A 141 27.327 -4.452 12.503 1.00 0.00 C
ATOM 2150 HE1 PHE A 141 27.718 -3.459 12.342 1.00 0.00 H
ATOM 2151 CZ PHE A 141 27.219 -4.954 13.779 1.00 0.00 C
ATOM 2152 HZ PHE A 141 27.538 -4.359 14.622 1.00 0.00 H
ATOM 2153 CE2 PHE A 141 26.706 -6.213 13.986 1.00 0.00 C
ATOM 2154 HE2 PHE A 141 26.616 -6.600 14.990 1.00 0.00 H
ATOM 2155 CD2 PHE A 141 26.302 -6.992 12.897 1.00 0.00 C
ATOM 2156 HD2 PHE A 141 25.893 -7.976 13.073 1.00 0.00 H
ATOM 2157 C PHE A 141 27.526 -9.398 10.685 1.00 0.00 C
ATOM 2158 O PHE A 141 28.331 -9.294 11.609 1.00 0.00 O
ATOM 2159 N ASP A 142 26.931 -10.557 10.351 1.00 0.00 N
ATOM 2160 H ASP A 142 26.249 -10.579 9.607 1.00 0.00 H
ATOM 2161 CA ASP A 142 27.216 -11.840 11.022 1.00 0.00 C
ATOM 2162 HA ASP A 142 26.992 -11.753 12.085 1.00 0.00 H
ATOM 2163 CB ASP A 142 26.337 -12.936 10.434 1.00 0.00 C
ATOM 2164 HB1 ASP A 142 26.459 -12.958 9.351 1.00 0.00 H
ATOM 2165 HB2 ASP A 142 26.628 -13.900 10.851 1.00 0.00 H
ATOM 2166 CG ASP A 142 24.848 -12.741 10.725 1.00 0.00 C
ATOM 2167 OD1 ASP A 142 24.274 -13.573 11.432 1.00 0.00 O
ATOM 2168 OD2 ASP A 142 24.284 -11.729 10.286 1.00 0.00 O
ATOM 2169 C ASP A 142 28.714 -12.195 10.819 1.00 0.00 C
ATOM 2170 O ASP A 142 29.393 -12.580 11.785 1.00 0.00 O
ATOM 2171 N SER A 143 29.226 -12.003 9.591 1.00 0.00 N
ATOM 2172 H SER A 143 28.638 -11.658 8.847 1.00 0.00 H
ATOM 2173 CA SER A 143 30.631 -12.270 9.241 1.00 0.00 C
ATOM 2174 HA SER A 143 30.865 -13.314 9.447 1.00 0.00 H
ATOM 2175 CB SER A 143 30.863 -12.092 7.739 1.00 0.00 C
ATOM 2176 HB1 SER A 143 30.585 -11.079 7.446 1.00 0.00 H
ATOM 2177 HB2 SER A 143 31.915 -12.260 7.511 1.00 0.00 H
ATOM 2178 OG SER A 143 30.096 -12.998 6.956 1.00 0.00 O
ATOM 2179 HG SER A 143 30.055 -13.849 7.399 1.00 0.00 H
ATOM 2180 C SER A 143 31.547 -11.348 10.022 1.00 0.00 C
ATOM 2181 O SER A 143 32.563 -11.784 10.578 1.00 0.00 O
ATOM 2182 N LEU A 144 31.186 -10.061 10.069 1.00 0.00 N
ATOM 2183 H LEU A 144 30.338 -9.757 9.612 1.00 0.00 H
ATOM 2184 CA LEU A 144 31.956 -9.037 10.757 1.00 0.00 C
ATOM 2185 HA LEU A 144 32.932 -8.935 10.281 1.00 0.00 H
ATOM 2186 CB LEU A 144 31.259 -7.656 10.583 1.00 0.00 C
ATOM 2187 HB1 LEU A 144 31.268 -7.374 9.530 1.00 0.00 H
ATOM 2188 HB2 LEU A 144 30.229 -7.722 10.933 1.00 0.00 H
ATOM 2189 CG LEU A 144 31.910 -6.486 11.356 1.00 0.00 C
ATOM 2190 HG LEU A 144 32.005 -6.753 12.409 1.00 0.00 H
ATOM 2191 CD1 LEU A 144 33.268 -6.136 10.756 1.00 0.00 C
ATOM 2192 1HD1 LEU A 144 33.710 -5.310 11.314 1.00 0.00 H
ATOM 2193 2HD1 LEU A 144 33.925 -7.004 10.811 1.00 0.00 H
ATOM 2194 3HD1 LEU A 144 33.140 -5.843 9.714 1.00 0.00 H
ATOM 2195 CD2 LEU A 144 30.987 -5.263 11.348 1.00 0.00 C
ATOM 2196 1HD2 LEU A 144 31.459 -4.447 11.896 1.00 0.00 H
ATOM 2197 2HD2 LEU A 144 30.804 -4.951 10.320 1.00 0.00 H
ATOM 2198 3HD2 LEU A 144 30.040 -5.519 11.823 1.00 0.00 H
ATOM 2199 C LEU A 144 32.118 -9.375 12.252 1.00 0.00 C
ATOM 2200 O LEU A 144 33.229 -9.271 12.804 1.00 0.00 O
ATOM 2201 N VAL A 145 31.022 -9.795 12.893 1.00 0.00 N
ATOM 2202 H VAL A 145 30.150 -9.891 12.392 1.00 0.00 H
ATOM 2203 CA VAL A 145 31.038 -10.130 14.324 1.00 0.00 C
ATOM 2204 HA VAL A 145 31.427 -9.284 14.891 1.00 0.00 H
ATOM 2205 CB VAL A 145 29.588 -10.196 14.879 1.00 0.00 C
ATOM 2206 HB VAL A 145 28.950 -10.720 14.168 1.00 0.00 H
ATOM 2207 CG1 VAL A 145 29.532 -10.846 16.258 1.00 0.00 C
ATOM 2208 1HG1 VAL A 145 28.500 -10.871 16.606 1.00 0.00 H
ATOM 2209 2HG1 VAL A 145 29.919 -11.863 16.196 1.00 0.00 H
ATOM 2210 3HG1 VAL A 145 30.138 -10.270 16.957 1.00 0.00 H
ATOM 2211 CG2 VAL A 145 28.976 -8.799 14.911 1.00 0.00 C
ATOM 2212 1HG2 VAL A 145 27.960 -8.856 15.301 1.00 0.00 H
ATOM 2213 2HG2 VAL A 145 29.575 -8.153 15.552 1.00 0.00 H
ATOM 2214 3HG2 VAL A 145 28.954 -8.388 13.901 1.00 0.00 H
ATOM 2215 C VAL A 145 31.819 -11.424 14.564 1.00 0.00 C
ATOM 2216 O VAL A 145 32.599 -11.504 15.509 1.00 0.00 O
ATOM 2217 N LYS A 146 31.645 -12.414 13.686 1.00 0.00 N
ATOM 2218 H LYS A 146 31.036 -12.283 12.891 1.00 0.00 H
ATOM 2219 CA LYS A 146 32.315 -13.707 13.830 1.00 0.00 C
ATOM 2220 HA LYS A 146 32.085 -14.128 14.809 1.00 0.00 H
ATOM 2221 CB LYS A 146 31.707 -14.726 12.845 1.00 0.00 C
ATOM 2222 HB1 LYS A 146 30.630 -14.783 12.998 1.00 0.00 H
ATOM 2223 HB2 LYS A 146 31.912 -14.410 11.822 1.00 0.00 H
ATOM 2224 CG LYS A 146 32.259 -16.134 13.000 1.00 0.00 C
ATOM 2225 HG1 LYS A 146 33.339 -16.120 12.855 1.00 0.00 H
ATOM 2226 HG2 LYS A 146 32.032 -16.506 13.999 1.00 0.00 H
ATOM 2227 CD LYS A 146 31.674 -17.099 12.005 1.00 0.00 C
ATOM 2228 HD1 LYS A 146 30.632 -17.297 12.259 1.00 0.00 H
ATOM 2229 HD2 LYS A 146 31.727 -16.668 11.005 1.00 0.00 H
ATOM 2230 CE LYS A 146 32.463 -18.388 12.047 1.00 0.00 C
ATOM 2231 HE1 LYS A 146 33.511 -18.180 11.832 1.00 0.00 H
ATOM 2232 HE2 LYS A 146 32.377 -18.835 13.037 1.00 0.00 H
ATOM 2233 NZ LYS A 146 31.975 -19.376 11.050 1.00 0.00 N
ATOM 2234 HZ1 LYS A 146 32.539 -20.212 11.101 1.00 0.00 H
ATOM 2235 HZ2 LYS A 146 31.012 -19.607 11.248 1.00 0.00 H
ATOM 2236 HZ3 LYS A 146 32.042 -18.981 10.123 1.00 0.00 H
ATOM 2237 C LYS A 146 33.829 -13.610 13.628 1.00 0.00 C
ATOM 2238 O LYS A 146 34.587 -14.290 14.320 1.00 0.00 O
ATOM 2239 N GLN A 147 34.268 -12.769 12.696 1.00 0.00 N
ATOM 2240 H GLN A 147 33.615 -12.180 12.200 1.00 0.00 H
ATOM 2241 CA GLN A 147 35.696 -12.676 12.369 1.00 0.00 C
ATOM 2242 HA GLN A 147 36.152 -13.663 12.448 1.00 0.00 H
ATOM 2243 CB GLN A 147 35.863 -12.365 10.877 1.00 0.00 C
ATOM 2244 HB1 GLN A 147 35.224 -11.525 10.607 1.00 0.00 H
ATOM 2245 HB2 GLN A 147 36.903 -12.110 10.673 1.00 0.00 H
ATOM 2246 CG GLN A 147 35.489 -13.539 10.004 1.00 0.00 C
ATOM 2247 HG1 GLN A 147 36.259 -14.307 10.076 1.00 0.00 H
ATOM 2248 HG2 GLN A 147 34.535 -13.949 10.335 1.00 0.00 H
ATOM 2249 CD GLN A 147 35.354 -13.149 8.558 1.00 0.00 C
ATOM 2250 OE1 GLN A 147 36.227 -12.493 7.990 1.00 0.00 O
ATOM 2251 NE2 GLN A 147 34.337 -13.682 7.896 1.00 0.00 N
ATOM 2252 1HE2 GLN A 147 33.705 -14.314 8.366 1.00 0.00 H
ATOM 2253 2HE2 GLN A 147 34.195 -13.457 6.922 1.00 0.00 H
ATOM 2254 C GLN A 147 36.507 -11.677 13.185 1.00 0.00 C
ATOM 2255 O GLN A 147 37.733 -11.697 13.108 1.00 0.00 O
ATOM 2256 N THR A 148 35.845 -10.747 13.882 1.00 0.00 N
ATOM 2257 H THR A 148 34.836 -10.766 13.919 1.00 0.00 H
ATOM 2258 CA THR A 148 36.555 -9.679 14.609 1.00 0.00 C
ATOM 2259 HA THR A 148 37.627 -9.879 14.593 1.00 0.00 H
ATOM 2260 CB THR A 148 36.325 -8.321 13.890 1.00 0.00 C
ATOM 2261 HB THR A 148 37.047 -7.590 14.254 1.00 0.00 H
ATOM 2262 CG2 THR A 148 36.613 -8.388 12.389 1.00 0.00 C
ATOM 2263 1HG2 THR A 148 36.436 -7.411 11.940 1.00 0.00 H
ATOM 2264 2HG2 THR A 148 37.652 -8.676 12.231 1.00 0.00 H
ATOM 2265 3HG2 THR A 148 35.958 -9.125 11.926 1.00 0.00 H
ATOM 2266 OG1 THR A 148 34.976 -7.887 14.110 1.00 0.00 O
ATOM 2267 HG1 THR A 148 34.376 -8.436 13.601 1.00 0.00 H
ATOM 2268 C THR A 148 36.060 -9.595 16.056 1.00 0.00 C
ATOM 2269 O THR A 148 35.239 -10.414 16.458 1.00 0.00 O
ATOM 2270 N HIE A 149 36.530 -8.594 16.824 1.00 0.00 N
ATOM 2271 H HIE A 149 37.238 -7.971 16.463 1.00 0.00 H
ATOM 2272 CA HIE A 149 36.034 -8.380 18.193 1.00 0.00 C
ATOM 2273 HA HIE A 149 35.674 -9.324 18.602 1.00 0.00 H
ATOM 2274 CB HIE A 149 37.180 -7.984 19.150 1.00 0.00 C
ATOM 2275 HB1 HIE A 149 37.672 -7.087 18.776 1.00 0.00 H
ATOM 2276 HB2 HIE A 149 36.774 -7.789 20.143 1.00 0.00 H
ATOM 2277 CG HIE A 149 38.218 -9.060 19.281 1.00 0.00 C
ATOM 2278 ND1 HIE A 149 39.253 -9.172 18.369 1.00 0.00 N
ATOM 2279 CE1 HIE A 149 39.944 -10.237 18.736 1.00 0.00 C
ATOM 2280 HE1 HIE A 149 40.821 -10.529 18.178 1.00 0.00 H
ATOM 2281 NE2 HIE A 149 39.404 -10.816 19.813 1.00 0.00 N
ATOM 2282 HE2 HIE A 149 39.659 -11.630 20.353 1.00 0.00 H
ATOM 2283 CD2 HIE A 149 38.300 -10.079 20.162 1.00 0.00 C
ATOM 2284 HD2 HIE A 149 37.564 -10.175 20.947 1.00 0.00 H
ATOM 2285 C HIE A 149 34.927 -7.300 18.194 1.00 0.00 C
ATOM 2286 O HIE A 149 34.556 -6.803 19.258 1.00 0.00 O
ATOM 2287 N VAL A 150 34.394 -6.932 17.011 1.00 0.00 N
ATOM 2288 H VAL A 150 34.707 -7.371 16.157 1.00 0.00 H
ATOM 2289 CA VAL A 150 33.353 -5.890 16.945 1.00 0.00 C
ATOM 2290 HA VAL A 150 33.767 -4.940 17.282 1.00 0.00 H
ATOM 2291 CB VAL A 150 33.028 -5.403 15.489 1.00 0.00 C
ATOM 2292 HB VAL A 150 32.824 -6.266 14.854 1.00 0.00 H
ATOM 2293 CG1 VAL A 150 31.843 -4.438 15.478 1.00 0.00 C
ATOM 2294 1HG1 VAL A 150 31.643 -4.119 14.455 1.00 0.00 H
ATOM 2295 2HG1 VAL A 150 30.963 -4.937 15.882 1.00 0.00 H
ATOM 2296 3HG1 VAL A 150 32.079 -3.567 16.090 1.00 0.00 H
ATOM 2297 CG2 VAL A 150 34.240 -4.733 14.842 1.00 0.00 C
ATOM 2298 1HG2 VAL A 150 33.981 -4.408 13.834 1.00 0.00 H
ATOM 2299 2HG2 VAL A 150 34.539 -3.870 15.437 1.00 0.00 H
ATOM 2300 3HG2 VAL A 150 35.065 -5.443 14.793 1.00 0.00 H
ATOM 2301 C VAL A 150 32.099 -6.355 17.699 1.00 0.00 C
ATOM 2302 O VAL A 150 31.580 -7.420 17.384 1.00 0.00 O
ATOM 2303 N PRO A 151 31.622 -5.581 18.707 1.00 0.00 N
ATOM 2304 CD PRO A 151 32.181 -4.322 19.240 1.00 0.00 C
ATOM 2305 HD1 PRO A 151 31.874 -3.490 18.607 1.00 0.00 H
ATOM 2306 HD2 PRO A 151 33.269 -4.385 19.255 1.00 0.00 H
ATOM 2307 CG PRO A 151 31.581 -4.258 20.623 1.00 0.00 C
ATOM 2308 HG1 PRO A 151 31.533 -3.246 21.025 1.00 0.00 H
ATOM 2309 HG2 PRO A 151 32.080 -4.910 21.340 1.00 0.00 H
ATOM 2310 CB PRO A 151 30.177 -4.767 20.370 1.00 0.00 C
ATOM 2311 HB1 PRO A 151 29.552 -4.026 19.872 1.00 0.00 H
ATOM 2312 HB2 PRO A 151 29.687 -5.101 21.284 1.00 0.00 H
ATOM 2313 CA PRO A 151 30.391 -5.962 19.439 1.00 0.00 C
ATOM 2314 HA PRO A 151 30.551 -6.912 19.949 1.00 0.00 H
ATOM 2315 C PRO A 151 29.190 -6.145 18.486 1.00 0.00 C
ATOM 2316 O PRO A 151 29.117 -5.455 17.463 1.00 0.00 O
ATOM 2317 N ASN A 152 28.262 -7.075 18.817 1.00 0.00 N
ATOM 2318 H ASN A 152 28.340 -7.579 19.690 1.00 0.00 H
ATOM 2319 CA ASN A 152 27.113 -7.412 17.965 1.00 0.00 C
ATOM 2320 HA ASN A 152 27.448 -7.537 16.935 1.00 0.00 H
ATOM 2321 CB ASN A 152 26.583 -8.814 18.288 1.00 0.00 C
ATOM 2322 HB1 ASN A 152 27.414 -9.520 18.314 1.00 0.00 H
ATOM 2323 HB2 ASN A 152 26.088 -8.801 19.259 1.00 0.00 H
ATOM 2324 CG ASN A 152 25.572 -9.359 17.284 1.00 0.00 C
ATOM 2325 OD1 ASN A 152 25.463 -8.895 16.141 1.00 0.00 O
ATOM 2326 ND2 ASN A 152 24.827 -10.381 17.689 1.00 0.00 N
ATOM 2327 1HD2 ASN A 152 24.947 -10.756 18.620 1.00 0.00 H
ATOM 2328 2HD2 ASN A 152 24.140 -10.783 17.067 1.00 0.00 H
ATOM 2329 C ASN A 152 25.995 -6.354 18.084 1.00 0.00 C
ATOM 2330 O ASN A 152 24.905 -6.634 18.581 1.00 0.00 O
ATOM 2331 N LEU A 153 26.299 -5.132 17.649 1.00 0.00 N
ATOM 2332 H LEU A 153 27.210 -4.948 17.253 1.00 0.00 H
ATOM 2333 CA LEU A 153 25.347 -4.028 17.726 1.00 0.00 C
ATOM 2334 HA LEU A 153 24.351 -4.387 17.467 1.00 0.00 H
ATOM 2335 CB LEU A 153 25.390 -3.478 19.199 1.00 0.00 C
ATOM 2336 HB1 LEU A 153 24.978 -4.223 19.878 1.00 0.00 H
ATOM 2337 HB2 LEU A 153 26.422 -3.264 19.477 1.00 0.00 H
ATOM 2338 CG LEU A 153 24.643 -2.194 19.578 1.00 0.00 C
ATOM 2339 HG LEU A 153 23.698 -2.150 19.037 1.00 0.00 H
ATOM 2340 CD1 LEU A 153 24.331 -2.173 21.053 1.00 0.00 C
ATOM 2341 1HD1 LEU A 153 23.800 -1.253 21.299 1.00 0.00 H
ATOM 2342 2HD1 LEU A 153 23.706 -3.030 21.305 1.00 0.00 H
ATOM 2343 3HD1 LEU A 153 25.259 -2.220 21.622 1.00 0.00 H
ATOM 2344 CD2 LEU A 153 25.472 -0.987 19.291 1.00 0.00 C
ATOM 2345 1HD2 LEU A 153 24.917 -0.091 19.569 1.00 0.00 H
ATOM 2346 2HD2 LEU A 153 26.396 -1.035 19.867 1.00 0.00 H
ATOM 2347 3HD2 LEU A 153 25.708 -0.952 18.227 1.00 0.00 H
ATOM 2348 C LEU A 153 25.771 -2.952 16.740 1.00 0.00 C
ATOM 2349 O LEU A 153 26.962 -2.745 16.537 1.00 0.00 O
ATOM 2350 N PHE A 154 24.803 -2.247 16.149 1.00 0.00 N
ATOM 2351 H PHE A 154 23.837 -2.516 16.270 1.00 0.00 H
ATOM 2352 CA PHE A 154 25.079 -1.080 15.319 1.00 0.00 C
ATOM 2353 HA PHE A 154 26.096 -0.734 15.503 1.00 0.00 H
ATOM 2354 CB PHE A 154 25.242 -1.390 13.813 1.00 0.00 C
ATOM 2355 HB1 PHE A 154 25.568 -0.492 13.290 1.00 0.00 H
ATOM 2356 HB2 PHE A 154 25.986 -2.177 13.683 1.00 0.00 H
ATOM 2357 CG PHE A 154 23.979 -1.865 13.121 1.00 0.00 C
ATOM 2358 CD1 PHE A 154 23.690 -3.225 13.026 1.00 0.00 C
ATOM 2359 HD1 PHE A 154 24.371 -3.952 13.443 1.00 0.00 H
ATOM 2360 CE1 PHE A 154 22.524 -3.664 12.395 1.00 0.00 C
ATOM 2361 HE1 PHE A 154 22.308 -4.720 12.334 1.00 0.00 H
ATOM 2362 CZ PHE A 154 21.649 -2.739 11.850 1.00 0.00 C
ATOM 2363 HZ PHE A 154 20.749 -3.073 11.354 1.00 0.00 H
ATOM 2364 CE2 PHE A 154 21.924 -1.389 11.938 1.00 0.00 C
ATOM 2365 HE2 PHE A 154 21.235 -0.670 11.521 1.00 0.00 H
ATOM 2366 CD2 PHE A 154 23.091 -0.955 12.565 1.00 0.00 C
ATOM 2367 HD2 PHE A 154 23.299 0.103 12.616 1.00 0.00 H
ATOM 2368 C PHE A 154 23.984 -0.079 15.603 1.00 0.00 C
ATOM 2369 O PHE A 154 22.913 -0.447 16.096 1.00 0.00 O
ATOM 2370 N SER A 155 24.242 1.182 15.314 1.00 0.00 N
ATOM 2371 H SER A 155 25.138 1.438 14.925 1.00 0.00 H
ATOM 2372 CA SER A 155 23.236 2.198 15.557 1.00 0.00 C
ATOM 2373 HA SER A 155 22.268 1.721 15.715 1.00 0.00 H
ATOM 2374 CB SER A 155 23.503 2.919 16.885 1.00 0.00 C
ATOM 2375 HB1 SER A 155 22.819 3.761 16.986 1.00 0.00 H
ATOM 2376 HB2 SER A 155 23.351 2.227 17.713 1.00 0.00 H
ATOM 2377 OG SER A 155 24.830 3.418 16.967 1.00 0.00 O
ATOM 2378 HG SER A 155 25.451 2.689 16.893 1.00 0.00 H
ATOM 2379 C SER A 155 23.226 3.163 14.376 1.00 0.00 C
ATOM 2380 O SER A 155 24.261 3.364 13.725 1.00 0.00 O
ATOM 2381 N LEU A 156 22.041 3.717 14.070 1.00 0.00 N
ATOM 2382 H LEU A 156 21.230 3.524 14.641 1.00 0.00 H
ATOM 2383 CA LEU A 156 21.858 4.605 12.930 1.00 0.00 C
ATOM 2384 HA LEU A 156 22.821 4.788 12.453 1.00 0.00 H
ATOM 2385 CB LEU A 156 20.950 3.928 11.890 1.00 0.00 C
ATOM 2386 HB1 LEU A 156 20.022 3.613 12.367 1.00 0.00 H
ATOM 2387 HB2 LEU A 156 20.725 4.632 11.089 1.00 0.00 H
ATOM 2388 CG LEU A 156 21.487 2.677 11.187 1.00 0.00 C
ATOM 2389 HG LEU A 156 21.744 1.924 11.932 1.00 0.00 H
ATOM 2390 CD1 LEU A 156 20.425 2.084 10.237 1.00 0.00 C
ATOM 2391 1HD1 LEU A 156 20.828 1.197 9.749 1.00 0.00 H
ATOM 2392 2HD1 LEU A 156 19.537 1.812 10.808 1.00 0.00 H
ATOM 2393 3HD1 LEU A 156 20.158 2.824 9.482 1.00 0.00 H
ATOM 2394 CD2 LEU A 156 22.717 3.023 10.364 1.00 0.00 C
ATOM 2395 1HD2 LEU A 156 23.088 2.125 9.870 1.00 0.00 H
ATOM 2396 2HD2 LEU A 156 22.454 3.768 9.613 1.00 0.00 H
ATOM 2397 3HD2 LEU A 156 23.491 3.424 11.018 1.00 0.00 H
ATOM 2398 C LEU A 156 21.247 5.937 13.297 1.00 0.00 C
ATOM 2399 O LEU A 156 20.206 5.984 13.961 1.00 0.00 O
ATOM 2400 N GLN A 157 21.864 7.016 12.824 1.00 0.00 N
ATOM 2401 H GLN A 157 22.754 6.925 12.356 1.00 0.00 H
ATOM 2402 CA GLN A 157 21.309 8.367 12.946 1.00 0.00 C
ATOM 2403 HA GLN A 157 20.347 8.320 13.457 1.00 0.00 H
ATOM 2404 CB GLN A 157 22.286 9.308 13.692 1.00 0.00 C
ATOM 2405 HB1 GLN A 157 22.542 8.873 14.658 1.00 0.00 H
ATOM 2406 HB2 GLN A 157 23.192 9.435 13.100 1.00 0.00 H
ATOM 2407 CG GLN A 157 21.675 10.717 13.946 1.00 0.00 C
ATOM 2408 HG1 GLN A 157 21.037 10.993 13.106 1.00 0.00 H
ATOM 2409 HG2 GLN A 157 21.083 10.697 14.860 1.00 0.00 H
ATOM 2410 CD GLN A 157 22.715 11.816 14.104 1.00 0.00 C
ATOM 2411 OE1 GLN A 157 23.634 11.940 13.304 1.00 0.00 O
ATOM 2412 NE2 GLN A 157 22.560 12.668 15.116 1.00 0.00 N
ATOM 2413 1HE2 GLN A 157 21.775 12.569 15.743 1.00 0.00 H
ATOM 2414 2HE2 GLN A 157 23.229 13.412 15.256 1.00 0.00 H
ATOM 2415 C GLN A 157 21.139 8.817 11.481 1.00 0.00 C
ATOM 2416 O GLN A 157 22.142 9.033 10.810 1.00 0.00 O
ATOM 2417 N LEU A 158 19.916 8.831 10.961 1.00 0.00 N
ATOM 2418 H LEU A 158 19.129 8.520 11.513 1.00 0.00 H
ATOM 2419 CA LEU A 158 19.639 9.291 9.584 1.00 0.00 C
ATOM 2420 HA LEU A 158 20.536 9.181 8.976 1.00 0.00 H
ATOM 2421 CB LEU A 158 18.538 8.443 8.903 1.00 0.00 C
ATOM 2422 HB1 LEU A 158 17.590 8.593 9.420 1.00 0.00 H
ATOM 2423 HB2 LEU A 158 18.436 8.748 7.862 1.00 0.00 H
ATOM 2424 CG LEU A 158 18.757 6.913 8.870 1.00 0.00 C
ATOM 2425 HG LEU A 158 18.851 6.536 9.889 1.00 0.00 H
ATOM 2426 CD1 LEU A 158 17.652 6.218 8.071 1.00 0.00 C
ATOM 2427 1HD1 LEU A 158 17.830 5.143 8.064 1.00 0.00 H
ATOM 2428 2HD1 LEU A 158 16.686 6.423 8.532 1.00 0.00 H
ATOM 2429 3HD1 LEU A 158 17.653 6.593 7.048 1.00 0.00 H
ATOM 2430 CD2 LEU A 158 20.164 6.540 8.346 1.00 0.00 C
ATOM 2431 1HD2 LEU A 158 20.275 5.455 8.340 1.00 0.00 H
ATOM 2432 2HD2 LEU A 158 20.289 6.923 7.333 1.00 0.00 H
ATOM 2433 3HD2 LEU A 158 20.922 6.978 8.995 1.00 0.00 H
ATOM 2434 C LEU A 158 19.207 10.742 9.701 1.00 0.00 C
ATOM 2435 O LEU A 158 18.295 11.034 10.473 1.00 0.00 O
ATOM 2436 N CYS A 159 19.886 11.655 9.004 1.00 0.00 N
ATOM 2437 H CYS A 159 20.616 11.365 8.370 1.00 0.00 H
ATOM 2438 CA CYS A 159 19.607 13.083 9.126 1.00 0.00 C
ATOM 2439 HA CYS A 159 19.032 13.266 10.034 1.00 0.00 H
ATOM 2440 CB CYS A 159 20.878 13.855 9.478 1.00 0.00 C
ATOM 2441 HB1 CYS A 159 21.611 13.733 8.680 1.00 0.00 H
ATOM 2442 HB2 CYS A 159 20.642 14.913 9.593 1.00 0.00 H
ATOM 2443 SG CYS A 159 21.670 13.316 11.014 1.00 0.00 S
ATOM 2444 C CYS A 159 18.930 13.662 7.896 1.00 0.00 C
ATOM 2445 O CYS A 159 19.583 13.854 6.871 1.00 0.00 O
ATOM 2446 N GLY A 160 17.635 13.933 8.016 1.00 0.00 N
ATOM 2447 H GLY A 160 17.142 13.683 8.861 1.00 0.00 H
ATOM 2448 CA GLY A 160 16.874 14.592 6.955 1.00 0.00 C
ATOM 2449 HA1 GLY A 160 17.167 14.181 5.989 1.00 0.00 H
ATOM 2450 HA2 GLY A 160 15.809 14.424 7.113 1.00 0.00 H
ATOM 2451 C GLY A 160 17.219 16.067 7.052 1.00 0.00 C
ATOM 2452 O GLY A 160 17.319 16.590 8.175 1.00 0.00 O
ATOM 2453 N ALA A 161 17.457 16.749 5.913 1.00 0.00 N
ATOM 2454 H ALA A 161 17.375 16.285 5.020 1.00 0.00 H
ATOM 2455 CA ALA A 161 17.838 18.176 5.957 1.00 0.00 C
ATOM 2456 HA ALA A 161 18.699 18.303 6.613 1.00 0.00 H
ATOM 2457 CB ALA A 161 18.452 18.607 4.620 1.00 0.00 C
ATOM 2458 HB1 ALA A 161 18.727 19.661 4.669 1.00 0.00 H
ATOM 2459 HB2 ALA A 161 19.340 18.009 4.418 1.00 0.00 H
ATOM 2460 HB3 ALA A 161 17.725 18.459 3.821 1.00 0.00 H
ATOM 2461 C ALA A 161 16.695 19.133 6.356 1.00 0.00 C
ATOM 2462 O ALA A 161 16.964 20.205 6.901 1.00 0.00 O
ATOM 2463 N GLY A 162 15.443 18.741 6.097 1.00 0.00 N
ATOM 2464 H GLY A 162 15.273 17.833 5.689 1.00 0.00 H
ATOM 2465 CA GLY A 162 14.272 19.578 6.382 1.00 0.00 C
ATOM 2466 HA1 GLY A 162 13.414 18.942 6.598 1.00 0.00 H
ATOM 2467 HA2 GLY A 162 14.480 20.213 7.244 1.00 0.00 H
ATOM 2468 C GLY A 162 13.905 20.479 5.215 1.00 0.00 C
ATOM 2469 O GLY A 162 12.916 21.223 5.259 1.00 0.00 O
ATOM 2470 N PHE A 163 14.701 20.395 4.142 1.00 0.00 N
ATOM 2471 H PHE A 163 15.485 19.758 4.144 1.00 0.00 H
ATOM 2472 CA PHE A 163 14.504 21.184 2.931 1.00 0.00 C
ATOM 2473 HA PHE A 163 13.438 21.339 2.766 1.00 0.00 H
ATOM 2474 CB PHE A 163 15.103 22.622 3.097 1.00 0.00 C
ATOM 2475 HB1 PHE A 163 15.145 23.113 2.125 1.00 0.00 H
ATOM 2476 HB2 PHE A 163 14.472 23.203 3.770 1.00 0.00 H
ATOM 2477 CG PHE A 163 16.515 22.668 3.671 1.00 0.00 C
ATOM 2478 CD1 PHE A 163 16.722 22.863 5.029 1.00 0.00 C
ATOM 2479 HD1 PHE A 163 15.878 23.003 5.689 1.00 0.00 H
ATOM 2480 CE1 PHE A 163 18.014 22.883 5.564 1.00 0.00 C
ATOM 2481 HE1 PHE A 163 18.157 23.031 6.624 1.00 0.00 H
ATOM 2482 CZ PHE A 163 19.106 22.713 4.740 1.00 0.00 C
ATOM 2483 HZ PHE A 163 20.103 22.727 5.155 1.00 0.00 H
ATOM 2484 CE2 PHE A 163 18.914 22.526 3.384 1.00 0.00 C
ATOM 2485 HE2 PHE A 163 19.766 22.388 2.734 1.00 0.00 H
ATOM 2486 CD2 PHE A 163 17.619 22.514 2.853 1.00 0.00 C
ATOM 2487 HD2 PHE A 163 17.489 22.383 1.789 1.00 0.00 H
ATOM 2488 C PHE A 163 15.183 20.397 1.783 1.00 0.00 C
ATOM 2489 O PHE A 163 15.958 19.440 2.053 1.00 0.00 O
ATOM 2490 N PRO A 164 14.885 20.761 0.506 1.00 0.00 N
ATOM 2491 CD PRO A 164 13.962 21.810 0.018 1.00 0.00 C
ATOM 2492 HD1 PRO A 164 14.511 22.740 -0.128 1.00 0.00 H
ATOM 2493 HD2 PRO A 164 13.170 21.967 0.750 1.00 0.00 H
ATOM 2494 CG PRO A 164 13.468 21.222 -1.253 1.00 0.00 C
ATOM 2495 HG1 PRO A 164 13.096 21.978 -1.944 1.00 0.00 H
ATOM 2496 HG2 PRO A 164 12.699 20.467 -1.091 1.00 0.00 H
ATOM 2497 CB PRO A 164 14.696 20.571 -1.834 1.00 0.00 C
ATOM 2498 HB1 PRO A 164 15.316 21.288 -2.372 1.00 0.00 H
ATOM 2499 HB2 PRO A 164 14.439 19.745 -2.497 1.00 0.00 H
ATOM 2500 CA PRO A 164 15.472 20.032 -0.615 1.00 0.00 C
ATOM 2501 HA PRO A 164 15.337 18.961 -0.463 1.00 0.00 H
ATOM 2502 C PRO A 164 16.964 20.306 -0.746 1.00 0.00 C
ATOM 2503 O PRO A 164 17.438 21.407 -0.427 1.00 0.00 O
ATOM 2504 N LEU A 165 17.701 19.270 -1.133 1.00 0.00 N
ATOM 2505 H LEU A 165 17.272 18.364 -1.260 1.00 0.00 H
ATOM 2506 CA LEU A 165 19.138 19.326 -1.404 1.00 0.00 C
ATOM 2507 HA LEU A 165 19.516 20.318 -1.159 1.00 0.00 H
ATOM 2508 CB LEU A 165 19.896 18.262 -0.566 1.00 0.00 C
ATOM 2509 HB1 LEU A 165 19.462 17.279 -0.748 1.00 0.00 H
ATOM 2510 HB2 LEU A 165 20.947 18.253 -0.854 1.00 0.00 H
ATOM 2511 CG LEU A 165 19.881 18.450 0.955 1.00 0.00 C
ATOM 2512 HG LEU A 165 18.853 18.575 1.296 1.00 0.00 H
ATOM 2513 CD1 LEU A 165 20.545 17.257 1.633 1.00 0.00 C
ATOM 2514 1HD1 LEU A 165 20.530 17.398 2.714 1.00 0.00 H
ATOM 2515 2HD1 LEU A 165 20.003 16.346 1.379 1.00 0.00 H
ATOM 2516 3HD1 LEU A 165 21.577 17.172 1.293 1.00 0.00 H
ATOM 2517 CD2 LEU A 165 20.583 19.748 1.369 1.00 0.00 C
ATOM 2518 1HD2 LEU A 165 20.552 19.848 2.454 1.00 0.00 H
ATOM 2519 2HD2 LEU A 165 21.620 19.723 1.036 1.00 0.00 H
ATOM 2520 3HD2 LEU A 165 20.075 20.598 0.912 1.00 0.00 H
ATOM 2521 C LEU A 165 19.308 19.040 -2.887 1.00 0.00 C
ATOM 2522 O LEU A 165 18.813 18.018 -3.368 1.00 0.00 O
ATOM 2523 N ASN A 166 19.974 19.946 -3.625 1.00 0.00 N
ATOM 2524 H ASN A 166 20.310 20.797 -3.198 1.00 0.00 H
ATOM 2525 CA ASN A 166 20.217 19.707 -5.050 1.00 0.00 C
ATOM 2526 HA ASN A 166 19.281 19.436 -5.538 1.00 0.00 H
ATOM 2527 CB ASN A 166 20.552 21.017 -5.816 1.00 0.00 C
ATOM 2528 HB1 ASN A 166 20.708 20.792 -6.871 1.00 0.00 H
ATOM 2529 HB2 ASN A 166 19.726 21.720 -5.713 1.00 0.00 H
ATOM 2530 CG ASN A 166 21.795 21.746 -5.346 1.00 0.00 C
ATOM 2531 OD1 ASN A 166 22.838 21.154 -5.095 1.00 0.00 O
ATOM 2532 ND2 ASN A 166 21.710 23.070 -5.202 1.00 0.00 N
ATOM 2533 1HD2 ASN A 166 20.841 23.544 -5.404 1.00 0.00 H
ATOM 2534 2HD2 ASN A 166 22.513 23.597 -4.891 1.00 0.00 H
ATOM 2535 C ASN A 166 21.329 18.639 -5.204 1.00 0.00 C
ATOM 2536 O ASN A 166 21.867 18.151 -4.202 1.00 0.00 O
ATOM 2537 N GLN A 167 21.663 18.271 -6.448 1.00 0.00 N
ATOM 2538 H GLN A 167 21.196 18.688 -7.241 1.00 0.00 H
ATOM 2539 CA GLN A 167 22.702 17.264 -6.709 1.00 0.00 C
ATOM 2540 HA GLN A 167 22.321 16.275 -6.454 1.00 0.00 H
ATOM 2541 CB GLN A 167 22.881 17.049 -8.218 1.00 0.00 C
ATOM 2542 HB1 GLN A 167 21.933 16.740 -8.657 1.00 0.00 H
ATOM 2543 HB2 GLN A 167 23.211 17.979 -8.681 1.00 0.00 H
ATOM 2544 CG GLN A 167 23.917 15.974 -8.549 1.00 0.00 C
ATOM 2545 HG1 GLN A 167 24.912 16.335 -8.290 1.00 0.00 H
ATOM 2546 HG2 GLN A 167 23.699 15.071 -7.979 1.00 0.00 H
ATOM 2547 CD GLN A 167 23.947 15.587 -10.005 1.00 0.00 C
ATOM 2548 OE1 GLN A 167 22.932 15.205 -10.600 1.00 0.00 O
ATOM 2549 NE2 GLN A 167 25.130 15.635 -10.597 1.00 0.00 N
ATOM 2550 1HE2 GLN A 167 25.945 15.920 -10.073 1.00 0.00 H
ATOM 2551 2HE2 GLN A 167 25.218 15.387 -11.572 1.00 0.00 H
ATOM 2552 C GLN A 167 24.036 17.581 -6.012 1.00 0.00 C
ATOM 2553 O GLN A 167 24.574 16.729 -5.319 1.00 0.00 O
ATOM 2554 N SER A 168 24.533 18.813 -6.144 1.00 0.00 N
ATOM 2555 H SER A 168 24.032 19.505 -6.684 1.00 0.00 H
ATOM 2556 CA SER A 168 25.802 19.209 -5.523 1.00 0.00 C
ATOM 2557 HA SER A 168 26.594 18.536 -5.851 1.00 0.00 H
ATOM 2558 CB SER A 168 26.212 20.599 -6.002 1.00 0.00 C
ATOM 2559 HB1 SER A 168 25.665 21.354 -5.438 1.00 0.00 H
ATOM 2560 HB2 SER A 168 27.283 20.736 -5.848 1.00 0.00 H
ATOM 2561 OG SER A 168 25.917 20.740 -7.382 1.00 0.00 O
ATOM 2562 HG SER A 168 26.176 21.615 -7.677 1.00 0.00 H
ATOM 2563 C SER A 168 25.727 19.207 -3.983 1.00 0.00 C
ATOM 2564 O SER A 168 26.663 18.778 -3.323 1.00 0.00 O
ATOM 2565 N GLU A 169 24.622 19.716 -3.417 1.00 0.00 N
ATOM 2566 H GLU A 169 23.868 20.056 -3.998 1.00 0.00 H
ATOM 2567 CA GLU A 169 24.479 19.794 -1.961 1.00 0.00 C
ATOM 2568 HA GLU A 169 25.315 20.355 -1.543 1.00 0.00 H
ATOM 2569 CB GLU A 169 23.261 20.617 -1.583 1.00 0.00 C
ATOM 2570 HB1 GLU A 169 22.375 20.194 -2.056 1.00 0.00 H
ATOM 2571 HB2 GLU A 169 23.135 20.603 -0.500 1.00 0.00 H
ATOM 2572 CG GLU A 169 23.375 22.072 -2.020 1.00 0.00 C
ATOM 2573 HG1 GLU A 169 24.188 22.553 -1.476 1.00 0.00 H
ATOM 2574 HG2 GLU A 169 23.579 22.115 -3.090 1.00 0.00 H
ATOM 2575 CD GLU A 169 22.100 22.823 -1.743 1.00 0.00 C
ATOM 2576 OE1 GLU A 169 22.158 23.810 -0.975 1.00 0.00 O
ATOM 2577 OE2 GLU A 169 21.028 22.362 -2.198 1.00 0.00 O
ATOM 2578 C GLU A 169 24.388 18.433 -1.312 1.00 0.00 C
ATOM 2579 O GLU A 169 24.976 18.231 -0.255 1.00 0.00 O
ATOM 2580 N VAL A 170 23.651 17.508 -1.931 1.00 0.00 N
ATOM 2581 H VAL A 170 23.187 17.730 -2.800 1.00 0.00 H
ATOM 2582 CA VAL A 170 23.492 16.164 -1.382 1.00 0.00 C
ATOM 2583 HA VAL A 170 22.928 16.215 -0.451 1.00 0.00 H
ATOM 2584 CB VAL A 170 22.304 15.392 -2.025 1.00 0.00 C
ATOM 2585 HB VAL A 170 21.405 16.006 -1.981 1.00 0.00 H
ATOM 2586 CG1 VAL A 170 22.617 14.939 -3.451 1.00 0.00 C
ATOM 2587 1HG1 VAL A 170 21.760 14.405 -3.859 1.00 0.00 H
ATOM 2588 2HG1 VAL A 170 22.831 15.810 -4.070 1.00 0.00 H
ATOM 2589 3HG1 VAL A 170 23.485 14.279 -3.440 1.00 0.00 H
ATOM 2590 CG2 VAL A 170 21.883 14.212 -1.152 1.00 0.00 C
ATOM 2591 1HG2 VAL A 170 21.051 13.689 -1.624 1.00 0.00 H
ATOM 2592 2HG2 VAL A 170 22.722 13.527 -1.037 1.00 0.00 H
ATOM 2593 3HG2 VAL A 170 21.573 14.576 -0.173 1.00 0.00 H
ATOM 2594 C VAL A 170 24.836 15.390 -1.350 1.00 0.00 C
ATOM 2595 O VAL A 170 25.076 14.609 -0.429 1.00 0.00 O
ATOM 2596 N LEU A 171 25.762 15.722 -2.275 1.00 0.00 N
ATOM 2597 H LEU A 171 25.551 16.420 -2.973 1.00 0.00 H
ATOM 2598 CA LEU A 171 27.090 15.088 -2.299 1.00 0.00 C
ATOM 2599 HA LEU A 171 26.984 14.015 -2.135 1.00 0.00 H
ATOM 2600 CB LEU A 171 27.703 15.175 -3.706 1.00 0.00 C
ATOM 2601 HB1 LEU A 171 27.806 16.221 -3.993 1.00 0.00 H
ATOM 2602 HB2 LEU A 171 28.684 14.700 -3.705 1.00 0.00 H
ATOM 2603 CG LEU A 171 26.895 14.496 -4.827 1.00 0.00 C
ATOM 2604 HG LEU A 171 25.833 14.687 -4.677 1.00 0.00 H
ATOM 2605 CD1 LEU A 171 27.367 14.957 -6.207 1.00 0.00 C
ATOM 2606 1HD1 LEU A 171 26.778 14.460 -6.978 1.00 0.00 H
ATOM 2607 2HD1 LEU A 171 27.242 16.036 -6.293 1.00 0.00 H
ATOM 2608 3HD1 LEU A 171 28.420 14.703 -6.335 1.00 0.00 H
ATOM 2609 CD2 LEU A 171 26.947 12.979 -4.722 1.00 0.00 C
ATOM 2610 1HD2 LEU A 171 26.365 12.538 -5.531 1.00 0.00 H
ATOM 2611 2HD2 LEU A 171 27.982 12.645 -4.795 1.00 0.00 H
ATOM 2612 3HD2 LEU A 171 26.532 12.666 -3.764 1.00 0.00 H
ATOM 2613 C LEU A 171 28.001 15.723 -1.268 1.00 0.00 C
ATOM 2614 O LEU A 171 28.881 15.061 -0.731 1.00 0.00 O
ATOM 2615 N ALA A 172 27.757 16.997 -0.942 1.00 0.00 N
ATOM 2616 H ALA A 172 26.970 17.481 -1.351 1.00 0.00 H
ATOM 2617 CA ALA A 172 28.603 17.717 -0.001 1.00 0.00 C
ATOM 2618 HA ALA A 172 29.609 17.298 -0.022 1.00 0.00 H
ATOM 2619 CB ALA A 172 28.823 19.141 -0.508 1.00 0.00 C
ATOM 2620 HB1 ALA A 172 29.456 19.683 0.194 1.00 0.00 H
ATOM 2621 HB2 ALA A 172 29.307 19.110 -1.484 1.00 0.00 H
ATOM 2622 HB3 ALA A 172 27.862 19.648 -0.596 1.00 0.00 H
ATOM 2623 C ALA A 172 28.067 17.736 1.428 1.00 0.00 C
ATOM 2624 O ALA A 172 28.755 18.206 2.332 1.00 0.00 O
ATOM 2625 N SER A 173 26.835 17.266 1.633 1.00 0.00 N
ATOM 2626 H SER A 173 26.313 16.867 0.866 1.00 0.00 H
ATOM 2627 CA SER A 173 26.197 17.302 2.935 1.00 0.00 C
ATOM 2628 HA SER A 173 26.590 18.141 3.510 1.00 0.00 H
ATOM 2629 CB SER A 173 24.707 17.563 2.764 1.00 0.00 C
ATOM 2630 HB1 SER A 173 24.561 18.528 2.279 1.00 0.00 H
ATOM 2631 HB2 SER A 173 24.268 16.777 2.150 1.00 0.00 H
ATOM 2632 OG SER A 173 24.013 17.588 4.001 1.00 0.00 O
ATOM 2633 HG SER A 173 24.115 16.742 4.442 1.00 0.00 H
ATOM 2634 C SER A 173 26.385 16.017 3.743 1.00 0.00 C
ATOM 2635 O SER A 173 26.466 14.930 3.177 1.00 0.00 O
ATOM 2636 N VAL A 174 26.353 16.148 5.068 1.00 0.00 N
ATOM 2637 H VAL A 174 26.292 17.067 5.483 1.00 0.00 H
ATOM 2638 CA VAL A 174 26.404 15.001 5.966 1.00 0.00 C
ATOM 2639 HA VAL A 174 27.102 14.262 5.573 1.00 0.00 H
ATOM 2640 CB VAL A 174 27.032 15.359 7.337 1.00 0.00 C
ATOM 2641 HB VAL A 174 26.650 16.323 7.672 1.00 0.00 H
ATOM 2642 CG1 VAL A 174 26.761 14.261 8.359 1.00 0.00 C
ATOM 2643 1HG1 VAL A 174 27.211 14.534 9.314 1.00 0.00 H
ATOM 2644 2HG1 VAL A 174 25.685 14.140 8.486 1.00 0.00 H
ATOM 2645 3HG1 VAL A 174 27.192 13.323 8.009 1.00 0.00 H
ATOM 2646 CG2 VAL A 174 28.528 15.613 7.195 1.00 0.00 C
ATOM 2647 1HG2 VAL A 174 28.949 15.862 8.169 1.00 0.00 H
ATOM 2648 2HG2 VAL A 174 29.015 14.718 6.808 1.00 0.00 H
ATOM 2649 3HG2 VAL A 174 28.693 16.442 6.506 1.00 0.00 H
ATOM 2650 C VAL A 174 24.978 14.471 6.111 1.00 0.00 C
ATOM 2651 O VAL A 174 24.095 15.168 6.623 1.00 0.00 O
ATOM 2652 N GLY A 175 24.779 13.216 5.729 1.00 0.00 N
ATOM 2653 H GLY A 175 25.546 12.673 5.359 1.00 0.00 H
ATOM 2654 CA GLY A 175 23.478 12.569 5.822 1.00 0.00 C
ATOM 2655 HA1 GLY A 175 22.692 13.319 5.744 1.00 0.00 H
ATOM 2656 HA2 GLY A 175 23.372 11.847 5.011 1.00 0.00 H
ATOM 2657 C GLY A 175 23.226 11.808 7.116 1.00 0.00 C
ATOM 2658 O GLY A 175 22.119 11.308 7.327 1.00 0.00 O
ATOM 2659 N GLY A 176 24.238 11.666 7.963 1.00 0.00 N
ATOM 2660 H GLY A 176 25.140 12.065 7.743 1.00 0.00 H
ATOM 2661 CA GLY A 176 24.027 10.931 9.207 1.00 0.00 C
ATOM 2662 HA1 GLY A 176 23.874 11.635 10.025 1.00 0.00 H
ATOM 2663 HA2 GLY A 176 23.149 10.292 9.108 1.00 0.00 H
ATOM 2664 C GLY A 176 25.174 10.034 9.615 1.00 0.00 C
ATOM 2665 O GLY A 176 26.278 10.191 9.107 1.00 0.00 O
ATOM 2666 N SER A 177 24.913 9.082 10.535 1.00 0.00 N
ATOM 2667 H SER A 177 23.973 8.960 10.884 1.00 0.00 H
ATOM 2668 CA SER A 177 25.977 8.209 11.047 1.00 0.00 C
ATOM 2669 HA SER A 177 26.810 8.199 10.344 1.00 0.00 H
ATOM 2670 CB SER A 177 26.365 8.651 12.470 1.00 0.00 C
ATOM 2671 HB1 SER A 177 25.505 8.548 13.131 1.00 0.00 H
ATOM 2672 HB2 SER A 177 27.181 8.027 12.835 1.00 0.00 H
ATOM 2673 OG SER A 177 26.798 9.999 12.543 1.00 0.00 O
ATOM 2674 HG SER A 177 26.119 10.574 12.182 1.00 0.00 H
ATOM 2675 C SER A 177 25.531 6.788 11.170 1.00 0.00 C
ATOM 2676 O SER A 177 24.414 6.525 11.602 1.00 0.00 O
ATOM 2677 N MET A 178 26.418 5.871 10.851 1.00 0.00 N
ATOM 2678 H MET A 178 27.281 6.139 10.400 1.00 0.00 H
ATOM 2679 CA MET A 178 26.225 4.456 11.117 1.00 0.00 C
ATOM 2680 HA MET A 178 25.261 4.305 11.601 1.00 0.00 H
ATOM 2681 CB MET A 178 26.284 3.592 9.848 1.00 0.00 C
ATOM 2682 HB1 MET A 178 25.416 3.803 9.223 1.00 0.00 H
ATOM 2683 HB2 MET A 178 27.195 3.822 9.294 1.00 0.00 H
ATOM 2684 CG MET A 178 26.285 2.107 10.213 1.00 0.00 C
ATOM 2685 HG1 MET A 178 27.261 1.831 10.613 1.00 0.00 H
ATOM 2686 HG2 MET A 178 25.519 1.917 10.964 1.00 0.00 H
ATOM 2687 SD MET A 178 25.957 0.972 8.862 1.00 0.00 S
ATOM 2688 CE MET A 178 27.333 1.253 7.838 1.00 0.00 C
ATOM 2689 HE1 MET A 178 27.266 0.615 6.956 1.00 0.00 H
ATOM 2690 HE2 MET A 178 27.349 2.298 7.529 1.00 0.00 H
ATOM 2691 HE3 MET A 178 28.247 1.021 8.385 1.00 0.00 H
ATOM 2692 C MET A 178 27.384 4.100 12.048 1.00 0.00 C
ATOM 2693 O MET A 178 28.538 4.074 11.614 1.00 0.00 O
ATOM 2694 N ILE A 179 27.083 3.840 13.317 1.00 0.00 N
ATOM 2695 H ILE A 179 26.123 3.891 13.628 1.00 0.00 H
ATOM 2696 CA ILE A 179 28.102 3.476 14.304 1.00 0.00 C
ATOM 2697 HA ILE A 179 29.067 3.881 13.998 1.00 0.00 H
ATOM 2698 CB ILE A 179 27.866 4.149 15.685 1.00 0.00 C
ATOM 2699 HB ILE A 179 27.129 3.576 16.248 1.00 0.00 H
ATOM 2700 CG2 ILE A 179 29.022 3.865 16.643 1.00 0.00 C
ATOM 2701 1HG2 ILE A 179 28.828 4.348 17.600 1.00 0.00 H
ATOM 2702 2HG2 ILE A 179 29.115 2.789 16.792 1.00 0.00 H
ATOM 2703 3HG2 ILE A 179 29.948 4.254 16.220 1.00 0.00 H
ATOM 2704 CG1 ILE A 179 27.531 5.669 15.582 1.00 0.00 C
ATOM 2705 1HG1 ILE A 179 26.601 5.800 15.030 1.00 0.00 H
ATOM 2706 2HG1 ILE A 179 27.421 6.086 16.583 1.00 0.00 H
ATOM 2707 CD ILE A 179 28.601 6.579 14.849 1.00 0.00 C
ATOM 2708 HD1 ILE A 179 28.256 7.613 14.841 1.00 0.00 H
ATOM 2709 HD2 ILE A 179 29.553 6.519 15.376 1.00 0.00 H
ATOM 2710 HD3 ILE A 179 28.733 6.233 13.823 1.00 0.00 H
ATOM 2711 C ILE A 179 28.095 1.955 14.410 1.00 0.00 C
ATOM 2712 O ILE A 179 27.102 1.381 14.821 1.00 0.00 O
ATOM 2713 N ILE A 180 29.188 1.321 13.974 1.00 0.00 N
ATOM 2714 H ILE A 180 29.976 1.852 13.630 1.00 0.00 H
ATOM 2715 CA ILE A 180 29.334 -0.125 13.957 1.00 0.00 C
ATOM 2716 HA ILE A 180 28.354 -0.588 13.838 1.00 0.00 H
ATOM 2717 CB ILE A 180 30.157 -0.564 12.721 1.00 0.00 C
ATOM 2718 HB ILE A 180 31.189 -0.231 12.833 1.00 0.00 H
ATOM 2719 CG2 ILE A 180 30.432 -2.086 12.758 1.00 0.00 C
ATOM 2720 1HG2 ILE A 180 31.011 -2.373 11.880 1.00 0.00 H
ATOM 2721 2HG2 ILE A 180 30.992 -2.333 13.659 1.00 0.00 H
ATOM 2722 3HG2 ILE A 180 29.485 -2.627 12.760 1.00 0.00 H
ATOM 2723 CG1 ILE A 180 29.508 -0.109 11.370 1.00 0.00 C
ATOM 2724 1HG1 ILE A 180 29.141 0.912 11.470 1.00 0.00 H
ATOM 2725 2HG1 ILE A 180 30.254 -0.150 10.576 1.00 0.00 H
ATOM 2726 CD ILE A 180 28.292 -0.987 10.899 1.00 0.00 C
ATOM 2727 HD1 ILE A 180 27.907 -0.598 9.956 1.00 0.00 H
ATOM 2728 HD2 ILE A 180 28.619 -2.017 10.759 1.00 0.00 H
ATOM 2729 HD3 ILE A 180 27.506 -0.954 11.653 1.00 0.00 H
ATOM 2730 C ILE A 180 30.007 -0.552 15.256 1.00 0.00 C
ATOM 2731 O ILE A 180 31.129 -0.133 15.519 1.00 0.00 O
ATOM 2732 N GLY A 181 29.301 -1.353 16.050 1.00 0.00 N
ATOM 2733 H GLY A 181 28.369 -1.635 15.783 1.00 0.00 H
ATOM 2734 CA GLY A 181 29.796 -1.867 17.316 1.00 0.00 C
ATOM 2735 HA1 GLY A 181 29.326 -2.827 17.528 1.00 0.00 H
ATOM 2736 HA2 GLY A 181 30.877 -1.996 17.259 1.00 0.00 H
ATOM 2737 C GLY A 181 29.559 -1.029 18.542 1.00 0.00 C
ATOM 2738 O GLY A 181 30.116 -1.331 19.596 1.00 0.00 O
ATOM 2739 N GLY A 182 28.745 0.023 18.430 1.00 0.00 N
ATOM 2740 H GLY A 182 28.283 0.213 17.552 1.00 0.00 H
ATOM 2741 CA GLY A 182 28.542 0.874 19.588 1.00 0.00 C
ATOM 2742 HA1 GLY A 182 28.271 0.261 20.448 1.00 0.00 H
ATOM 2743 HA2 GLY A 182 29.462 1.417 19.806 1.00 0.00 H
ATOM 2744 C GLY A 182 27.463 1.923 19.474 1.00 0.00 C
ATOM 2745 O GLY A 182 26.748 1.995 18.474 1.00 0.00 O
ATOM 2746 N ILE A 183 27.345 2.706 20.542 1.00 0.00 N
ATOM 2747 H ILE A 183 27.965 2.582 21.330 1.00 0.00 H
ATOM 2748 CA ILE A 183 26.374 3.792 20.741 1.00 0.00 C
ATOM 2749 HA ILE A 183 25.736 3.874 19.861 1.00 0.00 H
ATOM 2750 CB ILE A 183 25.458 3.502 21.969 1.00 0.00 C
ATOM 2751 HB ILE A 183 26.065 3.453 22.873 1.00 0.00 H
ATOM 2752 CG2 ILE A 183 24.523 4.706 22.289 1.00 0.00 C
ATOM 2753 1HG2 ILE A 183 23.901 4.465 23.151 1.00 0.00 H
ATOM 2754 2HG2 ILE A 183 25.126 5.586 22.512 1.00 0.00 H
ATOM 2755 3HG2 ILE A 183 23.887 4.911 21.428 1.00 0.00 H
ATOM 2756 CG1 ILE A 183 24.635 2.210 21.751 1.00 0.00 C
ATOM 2757 1HG1 ILE A 183 23.885 2.382 20.980 1.00 0.00 H
ATOM 2758 2HG1 ILE A 183 25.300 1.405 21.438 1.00 0.00 H
ATOM 2759 CD ILE A 183 23.830 1.668 23.081 1.00 0.00 C
ATOM 2760 HD1 ILE A 183 23.283 0.759 22.829 1.00 0.00 H
ATOM 2761 HD2 ILE A 183 24.543 1.454 23.876 1.00 0.00 H
ATOM 2762 HD3 ILE A 183 23.129 2.431 23.418 1.00 0.00 H
ATOM 2763 C ILE A 183 27.174 5.045 20.957 1.00 0.00 C
ATOM 2764 O ILE A 183 28.030 5.086 21.848 1.00 0.00 O
ATOM 2765 N ASP A 184 26.923 6.066 20.133 1.00 0.00 N
ATOM 2766 H ASP A 184 26.236 5.966 19.399 1.00 0.00 H
ATOM 2767 CA ASP A 184 27.643 7.326 20.297 1.00 0.00 C
ATOM 2768 HA ASP A 184 28.559 7.150 20.860 1.00 0.00 H
ATOM 2769 CB ASP A 184 28.194 7.824 18.957 1.00 0.00 C
ATOM 2770 HB1 ASP A 184 28.789 7.037 18.493 1.00 0.00 H
ATOM 2771 HB2 ASP A 184 27.367 8.089 18.299 1.00 0.00 H
ATOM 2772 CG ASP A 184 29.074 9.045 19.133 1.00 0.00 C
ATOM 2773 OD1 ASP A 184 30.278 8.958 18.833 1.00 0.00 O
ATOM 2774 OD2 ASP A 184 28.562 10.078 19.590 1.00 0.00 O
ATOM 2775 C ASP A 184 26.694 8.327 20.961 1.00 0.00 C
ATOM 2776 O ASP A 184 25.667 8.697 20.386 1.00 0.00 O
ATOM 2777 N HIE A 185 27.025 8.746 22.187 1.00 0.00 N
ATOM 2778 H HIE A 185 27.886 8.433 22.612 1.00 0.00 H
ATOM 2779 CA HIE A 185 26.173 9.659 22.950 1.00 0.00 C
ATOM 2780 HA HIE A 185 25.250 9.149 23.226 1.00 0.00 H
ATOM 2781 CB HIE A 185 26.547 9.673 24.444 1.00 0.00 C
ATOM 2782 HB1 HIE A 185 27.546 10.092 24.565 1.00 0.00 H
ATOM 2783 HB2 HIE A 185 25.829 10.282 24.993 1.00 0.00 H
ATOM 2784 CG HIE A 185 26.546 8.297 25.048 1.00 0.00 C
ATOM 2785 ND1 HIE A 185 25.366 7.620 25.307 1.00 0.00 N
ATOM 2786 CE1 HIE A 185 25.716 6.434 25.773 1.00 0.00 C
ATOM 2787 HE1 HIE A 185 24.958 5.721 26.059 1.00 0.00 H
ATOM 2788 NE2 HIE A 185 27.043 6.305 25.816 1.00 0.00 N
ATOM 2789 HE2 HIE A 185 27.651 5.552 26.108 1.00 0.00 H
ATOM 2790 CD2 HIE A 185 27.583 7.487 25.350 1.00 0.00 C
ATOM 2791 HD2 HIE A 185 28.596 7.830 25.204 1.00 0.00 H
ATOM 2792 C HIE A 185 25.976 11.060 22.372 1.00 0.00 C
ATOM 2793 O HIE A 185 25.003 11.706 22.724 1.00 0.00 O
ATOM 2794 N SER A 186 26.840 11.520 21.448 1.00 0.00 N
ATOM 2795 H SER A 186 27.622 10.949 21.159 1.00 0.00 H
ATOM 2796 CA SER A 186 26.656 12.850 20.855 1.00 0.00 C
ATOM 2797 HA SER A 186 26.502 13.583 21.647 1.00 0.00 H
ATOM 2798 CB SER A 186 27.933 13.308 20.151 1.00 0.00 C
ATOM 2799 HB1 SER A 186 27.860 14.371 19.920 1.00 0.00 H
ATOM 2800 HB2 SER A 186 28.790 13.137 20.802 1.00 0.00 H
ATOM 2801 OG SER A 186 28.171 12.614 18.928 1.00 0.00 O
ATOM 2802 HG SER A 186 28.320 11.683 19.112 1.00 0.00 H
ATOM 2803 C SER A 186 25.464 12.883 19.852 1.00 0.00 C
ATOM 2804 O SER A 186 25.034 13.956 19.443 1.00 0.00 O
ATOM 2805 N LEU A 187 24.960 11.707 19.441 1.00 0.00 N
ATOM 2806 H LEU A 187 25.287 10.845 19.853 1.00 0.00 H
ATOM 2807 CA LEU A 187 23.928 11.616 18.391 1.00 0.00 C
ATOM 2808 HA LEU A 187 24.147 12.336 17.602 1.00 0.00 H
ATOM 2809 CB LEU A 187 24.165 10.338 17.542 1.00 0.00 C
ATOM 2810 HB1 LEU A 187 23.998 9.456 18.159 1.00 0.00 H
ATOM 2811 HB2 LEU A 187 23.473 10.328 16.699 1.00 0.00 H
ATOM 2812 CG LEU A 187 25.570 10.198 16.954 1.00 0.00 C
ATOM 2813 HG LEU A 187 26.308 10.287 17.750 1.00 0.00 H
ATOM 2814 CD1 LEU A 187 25.703 8.879 16.187 1.00 0.00 C
ATOM 2815 1HD1 LEU A 187 26.710 8.797 15.775 1.00 0.00 H
ATOM 2816 2HD1 LEU A 187 25.519 8.044 16.863 1.00 0.00 H
ATOM 2817 3HD1 LEU A 187 24.977 8.855 15.375 1.00 0.00 H
ATOM 2818 CD2 LEU A 187 25.919 11.394 16.065 1.00 0.00 C
ATOM 2819 1HD2 LEU A 187 26.923 11.266 15.661 1.00 0.00 H
ATOM 2820 2HD2 LEU A 187 25.204 11.459 15.245 1.00 0.00 H
ATOM 2821 3HD2 LEU A 187 25.879 12.310 16.655 1.00 0.00 H
ATOM 2822 C LEU A 187 22.494 11.717 18.843 1.00 0.00 C
ATOM 2823 O LEU A 187 21.588 11.751 18.006 1.00 0.00 O
ATOM 2824 N TYR A 188 22.269 11.788 20.150 1.00 0.00 N
ATOM 2825 H TYR A 188 23.046 11.811 20.795 1.00 0.00 H
ATOM 2826 CA TYR A 188 20.918 11.835 20.684 1.00 0.00 C
ATOM 2827 HA TYR A 188 20.238 12.207 19.918 1.00 0.00 H
ATOM 2828 CB TYR A 188 20.405 10.411 20.963 1.00 0.00 C
ATOM 2829 HB1 TYR A 188 19.340 10.446 21.190 1.00 0.00 H
ATOM 2830 HB2 TYR A 188 20.569 9.787 20.085 1.00 0.00 H
ATOM 2831 CG TYR A 188 21.059 9.678 22.128 1.00 0.00 C
ATOM 2832 CD1 TYR A 188 22.231 8.953 21.951 1.00 0.00 C
ATOM 2833 HD1 TYR A 188 22.733 8.962 20.995 1.00 0.00 H
ATOM 2834 CE1 TYR A 188 22.782 8.206 22.987 1.00 0.00 C
ATOM 2835 HE1 TYR A 188 23.672 7.618 22.815 1.00 0.00 H
ATOM 2836 CZ TYR A 188 22.188 8.218 24.235 1.00 0.00 C
ATOM 2837 OH TYR A 188 22.755 7.495 25.252 1.00 0.00 O
ATOM 2838 HH TYR A 188 23.542 7.050 24.929 1.00 0.00 H
ATOM 2839 CE2 TYR A 188 21.031 8.950 24.446 1.00 0.00 C
ATOM 2840 HE2 TYR A 188 20.565 8.966 25.421 1.00 0.00 H
ATOM 2841 CD2 TYR A 188 20.467 9.666 23.394 1.00 0.00 C
ATOM 2842 HD2 TYR A 188 19.556 10.219 23.570 1.00 0.00 H
ATOM 2843 C TYR A 188 20.843 12.688 21.940 1.00 0.00 C
ATOM 2844 O TYR A 188 21.869 12.997 22.538 1.00 0.00 O
ATOM 2845 N THR A 189 19.632 13.045 22.337 1.00 0.00 N
ATOM 2846 H THR A 189 18.828 12.822 21.768 1.00 0.00 H
ATOM 2847 CA THR A 189 19.401 13.769 23.600 1.00 0.00 C
ATOM 2848 HA THR A 189 20.348 13.899 24.123 1.00 0.00 H
ATOM 2849 CB THR A 189 18.862 15.198 23.351 1.00 0.00 C
ATOM 2850 HB THR A 189 18.735 15.710 24.305 1.00 0.00 H
ATOM 2851 CG2 THR A 189 19.875 16.094 22.643 1.00 0.00 C
ATOM 2852 1HG2 THR A 189 19.444 17.084 22.494 1.00 0.00 H
ATOM 2853 2HG2 THR A 189 20.775 16.177 23.252 1.00 0.00 H
ATOM 2854 3HG2 THR A 189 20.130 15.660 21.676 1.00 0.00 H
ATOM 2855 OG1 THR A 189 17.646 15.112 22.606 1.00 0.00 O
ATOM 2856 HG1 THR A 189 17.001 14.604 23.103 1.00 0.00 H
ATOM 2857 C THR A 189 18.407 12.918 24.379 1.00 0.00 C
ATOM 2858 O THR A 189 17.705 12.081 23.790 1.00 0.00 O
ATOM 2859 N GLY A 190 18.377 13.113 25.693 1.00 0.00 N
ATOM 2860 H GLY A 190 18.998 13.786 26.119 1.00 0.00 H
ATOM 2861 CA GLY A 190 17.461 12.375 26.555 1.00 0.00 C
ATOM 2862 HA1 GLY A 190 17.472 12.809 27.554 1.00 0.00 H
ATOM 2863 HA2 GLY A 190 16.452 12.431 26.146 1.00 0.00 H
ATOM 2864 C GLY A 190 17.839 10.915 26.673 1.00 0.00 C
ATOM 2865 O GLY A 190 18.981 10.537 26.425 1.00 0.00 O
ATOM 2866 N SER A 191 16.875 10.081 27.012 1.00 0.00 N
ATOM 2867 H SER A 191 15.928 10.418 27.111 1.00 0.00 H
ATOM 2868 CA SER A 191 17.133 8.671 27.253 1.00 0.00 C
ATOM 2869 HA SER A 191 18.175 8.536 27.545 1.00 0.00 H
ATOM 2870 CB SER A 191 16.294 8.190 28.436 1.00 0.00 C
ATOM 2871 HB1 SER A 191 15.241 8.394 28.241 1.00 0.00 H
ATOM 2872 HB2 SER A 191 16.438 7.118 28.572 1.00 0.00 H
ATOM 2873 OG SER A 191 16.680 8.860 29.624 1.00 0.00 O
ATOM 2874 HG SER A 191 16.551 9.805 29.515 1.00 0.00 H
ATOM 2875 C SER A 191 16.847 7.775 26.068 1.00 0.00 C
ATOM 2876 O SER A 191 16.018 8.110 25.228 1.00 0.00 O
ATOM 2877 N LEU A 192 17.535 6.623 26.034 1.00 0.00 N
ATOM 2878 H LEU A 192 18.277 6.458 26.699 1.00 0.00 H
ATOM 2879 CA LEU A 192 17.284 5.564 25.085 1.00 0.00 C
ATOM 2880 HA LEU A 192 16.897 5.988 24.159 1.00 0.00 H
ATOM 2881 CB LEU A 192 18.536 4.730 24.803 1.00 0.00 C
ATOM 2882 HB1 LEU A 192 19.145 4.671 25.705 1.00 0.00 H
ATOM 2883 HB2 LEU A 192 18.243 3.726 24.496 1.00 0.00 H
ATOM 2884 CG LEU A 192 19.464 5.235 23.715 1.00 0.00 C
ATOM 2885 HG LEU A 192 19.496 6.324 23.741 1.00 0.00 H
ATOM 2886 CD1 LEU A 192 20.855 4.629 23.911 1.00 0.00 C
ATOM 2887 1HD1 LEU A 192 21.523 4.991 23.129 1.00 0.00 H
ATOM 2888 2HD1 LEU A 192 21.245 4.921 24.886 1.00 0.00 H
ATOM 2889 3HD1 LEU A 192 20.789 3.542 23.857 1.00 0.00 H
ATOM 2890 CD2 LEU A 192 18.901 4.886 22.319 1.00 0.00 C
ATOM 2891 1HD2 LEU A 192 19.579 5.256 21.550 1.00 0.00 H
ATOM 2892 2HD2 LEU A 192 18.801 3.805 22.227 1.00 0.00 H
ATOM 2893 3HD2 LEU A 192 17.923 5.352 22.195 1.00 0.00 H
ATOM 2894 C LEU A 192 16.227 4.646 25.711 1.00 0.00 C
ATOM 2895 O LEU A 192 16.368 4.244 26.865 1.00 0.00 O
ATOM 2896 N TRP A 193 15.181 4.328 24.955 1.00 0.00 N
ATOM 2897 H TRP A 193 15.079 4.735 24.037 1.00 0.00 H
ATOM 2898 CA TRP A 193 14.144 3.395 25.396 1.00 0.00 C
ATOM 2899 HA TRP A 193 14.341 3.092 26.425 1.00 0.00 H
ATOM 2900 CB TRP A 193 12.775 4.066 25.389 1.00 0.00 C
ATOM 2901 HB1 TRP A 193 12.688 4.705 24.510 1.00 0.00 H
ATOM 2902 HB2 TRP A 193 11.996 3.304 25.363 1.00 0.00 H
ATOM 2903 CG TRP A 193 12.549 4.920 26.606 1.00 0.00 C
ATOM 2904 CD1 TRP A 193 12.924 6.218 26.793 1.00 0.00 C
ATOM 2905 HD1 TRP A 193 13.467 6.740 26.019 1.00 0.00 H
ATOM 2906 NE1 TRP A 193 12.504 6.657 28.036 1.00 0.00 N
ATOM 2907 HE1 TRP A 193 12.647 7.619 28.306 1.00 0.00 H
ATOM 2908 CE2 TRP A 193 11.930 5.606 28.705 1.00 0.00 C
ATOM 2909 CZ2 TRP A 193 11.407 5.531 30.005 1.00 0.00 C
ATOM 2910 HZ2 TRP A 193 11.409 6.406 30.639 1.00 0.00 H
ATOM 2911 CH2 TRP A 193 10.903 4.312 30.418 1.00 0.00 C
ATOM 2912 HH2 TRP A 193 10.527 4.196 31.424 1.00 0.00 H
ATOM 2913 CZ3 TRP A 193 10.863 3.201 29.558 1.00 0.00 C
ATOM 2914 HZ3 TRP A 193 10.421 2.281 29.910 1.00 0.00 H
ATOM 2915 CE3 TRP A 193 11.382 3.276 28.270 1.00 0.00 C
ATOM 2916 HE3 TRP A 193 11.359 2.423 27.608 1.00 0.00 H
ATOM 2917 CD2 TRP A 193 11.945 4.492 27.834 1.00 0.00 C
ATOM 2918 C TRP A 193 14.190 2.220 24.439 1.00 0.00 C
ATOM 2919 O TRP A 193 14.271 2.418 23.212 1.00 0.00 O
ATOM 2920 N TYR A 194 14.146 0.997 24.998 1.00 0.00 N
ATOM 2921 H TYR A 194 14.024 0.903 25.997 1.00 0.00 H
ATOM 2922 CA TYR A 194 14.269 -0.221 24.212 1.00 0.00 C
ATOM 2923 HA TYR A 194 14.628 0.025 23.213 1.00 0.00 H
ATOM 2924 CB TYR A 194 15.352 -1.123 24.821 1.00 0.00 C
ATOM 2925 HB1 TYR A 194 15.176 -1.230 25.891 1.00 0.00 H
ATOM 2926 HB2 TYR A 194 15.318 -2.104 24.347 1.00 0.00 H
ATOM 2927 CG TYR A 194 16.741 -0.578 24.640 1.00 0.00 C
ATOM 2928 CD1 TYR A 194 17.336 0.214 25.617 1.00 0.00 C
ATOM 2929 HD1 TYR A 194 16.797 0.450 26.523 1.00 0.00 H
ATOM 2930 CE1 TYR A 194 18.625 0.713 25.453 1.00 0.00 C
ATOM 2931 HE1 TYR A 194 19.065 1.334 26.220 1.00 0.00 H
ATOM 2932 CZ TYR A 194 19.338 0.410 24.304 1.00 0.00 C
ATOM 2933 OH TYR A 194 20.615 0.870 24.146 1.00 0.00 O
ATOM 2934 HH TYR A 194 20.838 0.884 23.212 1.00 0.00 H
ATOM 2935 CE2 TYR A 194 18.766 -0.367 23.316 1.00 0.00 C
ATOM 2936 HE2 TYR A 194 19.318 -0.599 22.418 1.00 0.00 H
ATOM 2937 CD2 TYR A 194 17.470 -0.851 23.483 1.00 0.00 C
ATOM 2938 HD2 TYR A 194 17.032 -1.448 22.697 1.00 0.00 H
ATOM 2939 C TYR A 194 13.004 -1.035 24.072 1.00 0.00 C
ATOM 2940 O TYR A 194 12.268 -1.233 25.048 1.00 0.00 O
ATOM 2941 N THR A 195 12.791 -1.554 22.851 1.00 0.00 N
ATOM 2942 H THR A 195 13.428 -1.346 22.095 1.00 0.00 H
ATOM 2943 CA THR A 195 11.673 -2.423 22.528 1.00 0.00 C
ATOM 2944 HA THR A 195 10.975 -2.444 23.365 1.00 0.00 H
ATOM 2945 CB THR A 195 10.737 -1.789 21.443 1.00 0.00 C
ATOM 2946 HB THR A 195 10.527 -0.752 21.705 1.00 0.00 H
ATOM 2947 CG2 THR A 195 11.353 -1.785 20.039 1.00 0.00 C
ATOM 2948 1HG2 THR A 195 10.653 -1.333 19.336 1.00 0.00 H
ATOM 2949 2HG2 THR A 195 12.279 -1.210 20.049 1.00 0.00 H
ATOM 2950 3HG2 THR A 195 11.565 -2.809 19.731 1.00 0.00 H
ATOM 2951 OG1 THR A 195 9.521 -2.543 21.399 1.00 0.00 O
ATOM 2952 HG1 THR A 195 9.107 -2.536 22.265 1.00 0.00 H
ATOM 2953 C THR A 195 12.249 -3.776 22.133 1.00 0.00 C
ATOM 2954 O THR A 195 13.289 -3.812 21.465 1.00 0.00 O
ATOM 2955 N PRO A 196 11.636 -4.912 22.509 1.00 0.00 N
ATOM 2956 CD PRO A 196 10.416 -5.122 23.319 1.00 0.00 C
ATOM 2957 HD1 PRO A 196 9.538 -5.067 22.675 1.00 0.00 H
ATOM 2958 HD2 PRO A 196 10.351 -4.350 24.086 1.00 0.00 H
ATOM 2959 CG PRO A 196 10.640 -6.496 23.888 1.00 0.00 C
ATOM 2960 HG1 PRO A 196 9.701 -6.990 24.138 1.00 0.00 H
ATOM 2961 HG2 PRO A 196 11.282 -6.472 24.769 1.00 0.00 H
ATOM 2962 CB PRO A 196 11.312 -7.237 22.810 1.00 0.00 C
ATOM 2963 HB1 PRO A 196 10.594 -7.645 22.099 1.00 0.00 H
ATOM 2964 HB2 PRO A 196 11.928 -8.044 23.206 1.00 0.00 H
ATOM 2965 CA PRO A 196 12.213 -6.202 22.098 1.00 0.00 C
ATOM 2966 HA PRO A 196 13.265 -6.235 22.380 1.00 0.00 H
ATOM 2967 C PRO A 196 12.165 -6.430 20.594 1.00 0.00 C
ATOM 2968 O PRO A 196 11.264 -5.945 19.912 1.00 0.00 O
ATOM 2969 N ILE A 197 13.144 -7.171 20.070 1.00 0.00 N
ATOM 2970 H ILE A 197 13.939 -7.430 20.636 1.00 0.00 H
ATOM 2971 CA ILE A 197 13.092 -7.621 18.682 1.00 0.00 C
ATOM 2972 HA ILE A 197 12.648 -6.841 18.063 1.00 0.00 H
ATOM 2973 CB ILE A 197 14.495 -7.931 18.108 1.00 0.00 C
ATOM 2974 HB ILE A 197 15.026 -8.599 18.786 1.00 0.00 H
ATOM 2975 CG2 ILE A 197 14.369 -8.771 16.819 1.00 0.00 C
ATOM 2976 1HG2 ILE A 197 15.362 -8.983 16.424 1.00 0.00 H
ATOM 2977 2HG2 ILE A 197 13.860 -9.709 17.044 1.00 0.00 H
ATOM 2978 3HG2 ILE A 197 13.795 -8.216 16.077 1.00 0.00 H
ATOM 2979 CG1 ILE A 197 15.283 -6.627 17.855 1.00 0.00 C
ATOM 2980 1HG1 ILE A 197 14.866 -6.112 16.990 1.00 0.00 H
ATOM 2981 2HG1 ILE A 197 15.210 -5.983 18.732 1.00 0.00 H
ATOM 2982 CD ILE A 197 16.785 -6.822 17.573 1.00 0.00 C
ATOM 2983 HD1 ILE A 197 17.253 -5.851 17.408 1.00 0.00 H
ATOM 2984 HD2 ILE A 197 17.255 -7.312 18.426 1.00 0.00 H
ATOM 2985 HD3 ILE A 197 16.911 -7.441 16.684 1.00 0.00 H
ATOM 2986 C ILE A 197 12.220 -8.875 18.820 1.00 0.00 C
ATOM 2987 O ILE A 197 12.623 -9.820 19.501 1.00 0.00 O
ATOM 2988 N ARG A 198 11.011 -8.854 18.242 1.00 0.00 N
ATOM 2989 H ARG A 198 10.734 -8.062 17.679 1.00 0.00 H
ATOM 2990 CA ARG A 198 10.051 -9.964 18.399 1.00 0.00 C
ATOM 2991 HA ARG A 198 9.741 -10.032 19.441 1.00 0.00 H
ATOM 2992 CB ARG A 198 8.717 -9.625 17.727 1.00 0.00 C
ATOM 2993 HB1 ARG A 198 8.379 -8.645 18.062 1.00 0.00 H
ATOM 2994 HB2 ARG A 198 8.847 -9.614 16.645 1.00 0.00 H
ATOM 2995 CG ARG A 198 7.628 -10.635 18.058 1.00 0.00 C
ATOM 2996 HG1 ARG A 198 8.060 -11.635 18.101 1.00 0.00 H
ATOM 2997 HG2 ARG A 198 7.186 -10.390 19.024 1.00 0.00 H
ATOM 2998 CD ARG A 198 6.533 -10.631 17.015 1.00 0.00 C
ATOM 2999 HD1 ARG A 198 6.180 -9.611 16.862 1.00 0.00 H
ATOM 3000 HD2 ARG A 198 6.924 -11.024 16.076 1.00 0.00 H
ATOM 3001 NE ARG A 198 5.404 -11.461 17.437 1.00 0.00 N
ATOM 3002 HE ARG A 198 5.434 -11.784 18.394 1.00 0.00 H
ATOM 3003 CZ ARG A 198 4.387 -11.795 16.657 1.00 0.00 C
ATOM 3004 NH1 ARG A 198 4.345 -11.378 15.394 1.00 0.00 N
ATOM 3005 1HH1 ARG A 198 5.091 -10.805 15.026 1.00 0.00 H
ATOM 3006 2HH1 ARG A 198 3.568 -11.636 14.803 1.00 0.00 H
ATOM 3007 NH2 ARG A 198 3.404 -12.558 17.128 1.00 0.00 N
ATOM 3008 1HH2 ARG A 198 3.431 -12.885 18.083 1.00 0.00 H
ATOM 3009 2HH2 ARG A 198 2.630 -12.811 16.530 1.00 0.00 H
ATOM 3010 C ARG A 198 10.611 -11.286 17.881 1.00 0.00 C
ATOM 3011 O ARG A 198 10.521 -12.316 18.559 1.00 0.00 O
ATOM 3012 N ARG A 199 11.216 -11.231 16.689 1.00 0.00 N
ATOM 3013 H ARG A 199 11.275 -10.353 16.192 1.00 0.00 H
ATOM 3014 CA ARG A 199 11.819 -12.375 16.019 1.00 0.00 C
ATOM 3015 HA ARG A 199 12.180 -13.084 16.765 1.00 0.00 H
ATOM 3016 CB ARG A 199 10.772 -13.154 15.209 1.00 0.00 C
ATOM 3017 HB1 ARG A 199 9.924 -13.397 15.848 1.00 0.00 H
ATOM 3018 HB2 ARG A 199 10.432 -12.544 14.372 1.00 0.00 H
ATOM 3019 CG ARG A 199 11.316 -14.460 14.641 1.00 0.00 C
ATOM 3020 HG1 ARG A 199 11.833 -14.261 13.702 1.00 0.00 H
ATOM 3021 HG2 ARG A 199 12.014 -14.903 15.352 1.00 0.00 H
ATOM 3022 CD ARG A 199 10.215 -15.456 14.374 1.00 0.00 C
ATOM 3023 HD1 ARG A 199 10.652 -16.428 14.145 1.00 0.00 H
ATOM 3024 HD2 ARG A 199 9.581 -15.542 15.256 1.00 0.00 H
ATOM 3025 NE ARG A 199 9.351 -15.089 13.249 1.00 0.00 N
ATOM 3026 HE ARG A 199 8.477 -14.646 13.493 1.00 0.00 H
ATOM 3027 CZ ARG A 199 9.653 -15.304 11.975 1.00 0.00 C
ATOM 3028 NH1 ARG A 199 10.818 -15.825 11.646 1.00 0.00 N
ATOM 3029 1HH1 ARG A 199 11.486 -16.063 12.365 1.00 0.00 H
ATOM 3030 2HH1 ARG A 199 11.042 -15.986 10.675 1.00 0.00 H
ATOM 3031 NH2 ARG A 199 8.785 -15.000 11.020 1.00 0.00 N
ATOM 3032 1HH2 ARG A 199 7.888 -14.602 11.261 1.00 0.00 H
ATOM 3033 2HH2 ARG A 199 9.020 -15.165 10.052 1.00 0.00 H
ATOM 3034 C ARG A 199 12.933 -11.878 15.132 1.00 0.00 C
ATOM 3035 O ARG A 199 12.841 -10.790 14.562 1.00 0.00 O
ATOM 3036 N GLU A 200 13.998 -12.675 15.033 1.00 0.00 N
ATOM 3037 H GLU A 200 14.005 -13.568 15.503 1.00 0.00 H
ATOM 3038 CA GLU A 200 15.166 -12.289 14.255 1.00 0.00 C
ATOM 3039 HA GLU A 200 15.352 -11.223 14.383 1.00 0.00 H
ATOM 3040 CB GLU A 200 16.446 -12.819 14.939 1.00 0.00 C
ATOM 3041 HB1 GLU A 200 16.370 -13.899 15.065 1.00 0.00 H
ATOM 3042 HB2 GLU A 200 17.312 -12.586 14.319 1.00 0.00 H
ATOM 3043 CG GLU A 200 16.685 -12.207 16.318 1.00 0.00 C
ATOM 3044 HG1 GLU A 200 17.268 -11.292 16.213 1.00 0.00 H
ATOM 3045 HG2 GLU A 200 15.727 -11.976 16.784 1.00 0.00 H
ATOM 3046 CD GLU A 200 17.441 -13.134 17.248 1.00 0.00 C
ATOM 3047 OE1 GLU A 200 16.941 -14.247 17.509 1.00 0.00 O
ATOM 3048 OE2 GLU A 200 18.556 -12.774 17.676 1.00 0.00 O
ATOM 3049 C GLU A 200 15.078 -12.698 12.781 1.00 0.00 C
ATOM 3050 O GLU A 200 15.460 -13.797 12.425 1.00 0.00 O
ATOM 3051 N TRP A 201 14.498 -11.829 11.935 1.00 0.00 N
ATOM 3052 H TRP A 201 14.095 -10.973 12.287 1.00 0.00 H
ATOM 3053 CA TRP A 201 14.420 -12.074 10.494 1.00 0.00 C
ATOM 3054 HA TRP A 201 15.164 -12.819 10.211 1.00 0.00 H
ATOM 3055 CB TRP A 201 13.170 -12.899 10.120 1.00 0.00 C
ATOM 3056 HB1 TRP A 201 13.143 -13.049 9.041 1.00 0.00 H
ATOM 3057 HB2 TRP A 201 13.210 -13.866 10.620 1.00 0.00 H
ATOM 3058 CG TRP A 201 11.810 -12.345 10.464 1.00 0.00 C
ATOM 3059 CD1 TRP A 201 11.404 -11.763 11.635 1.00 0.00 C
ATOM 3060 HD1 TRP A 201 12.114 -11.607 12.434 1.00 0.00 H
ATOM 3061 NE1 TRP A 201 10.057 -11.461 11.568 1.00 0.00 N
ATOM 3062 HE1 TRP A 201 9.601 -11.010 12.348 1.00 0.00 H
ATOM 3063 CE2 TRP A 201 9.571 -11.868 10.359 1.00 0.00 C
ATOM 3064 CZ2 TRP A 201 8.274 -11.813 9.838 1.00 0.00 C
ATOM 3065 HZ2 TRP A 201 7.477 -11.374 10.419 1.00 0.00 H
ATOM 3066 CH2 TRP A 201 8.070 -12.333 8.582 1.00 0.00 C
ATOM 3067 HH2 TRP A 201 7.088 -12.294 8.135 1.00 0.00 H
ATOM 3068 CZ3 TRP A 201 9.114 -12.922 7.849 1.00 0.00 C
ATOM 3069 HZ3 TRP A 201 8.904 -13.327 6.870 1.00 0.00 H
ATOM 3070 CE3 TRP A 201 10.400 -12.987 8.366 1.00 0.00 C
ATOM 3071 HE3 TRP A 201 11.205 -13.441 7.808 1.00 0.00 H
ATOM 3072 CD2 TRP A 201 10.644 -12.446 9.643 1.00 0.00 C
ATOM 3073 C TRP A 201 14.538 -10.669 9.917 1.00 0.00 C
ATOM 3074 O TRP A 201 15.657 -10.196 9.713 1.00 0.00 O
ATOM 3075 N TYR A 202 13.441 -9.934 9.869 1.00 0.00 N
ATOM 3076 H TYR A 202 12.535 -10.373 9.955 1.00 0.00 H
ATOM 3077 CA TYR A 202 13.494 -8.487 9.696 1.00 0.00 C
ATOM 3078 HA TYR A 202 14.370 -8.224 9.103 1.00 0.00 H
ATOM 3079 CB TYR A 202 12.105 -7.957 9.307 1.00 0.00 C
ATOM 3080 HB1 TYR A 202 11.357 -8.364 9.988 1.00 0.00 H
ATOM 3081 HB2 TYR A 202 12.101 -6.869 9.371 1.00 0.00 H
ATOM 3082 CG TYR A 202 11.680 -8.322 7.911 1.00 0.00 C
ATOM 3083 CD1 TYR A 202 12.115 -7.583 6.813 1.00 0.00 C
ATOM 3084 HD1 TYR A 202 12.744 -6.717 6.959 1.00 0.00 H
ATOM 3085 CE1 TYR A 202 11.748 -7.945 5.515 1.00 0.00 C
ATOM 3086 HE1 TYR A 202 12.074 -7.349 4.675 1.00 0.00 H
ATOM 3087 CZ TYR A 202 10.965 -9.073 5.310 1.00 0.00 C
ATOM 3088 OH TYR A 202 10.560 -9.412 4.048 1.00 0.00 O
ATOM 3089 HH TYR A 202 10.899 -8.771 3.419 1.00 0.00 H
ATOM 3090 CE2 TYR A 202 10.528 -9.822 6.385 1.00 0.00 C
ATOM 3091 HE2 TYR A 202 9.919 -10.700 6.227 1.00 0.00 H
ATOM 3092 CD2 TYR A 202 10.876 -9.438 7.679 1.00 0.00 C
ATOM 3093 HD2 TYR A 202 10.511 -10.023 8.511 1.00 0.00 H
ATOM 3094 C TYR A 202 13.767 -7.981 11.126 1.00 0.00 C
ATOM 3095 O TYR A 202 13.743 -8.772 12.067 1.00 0.00 O
ATOM 3096 N TYR A 203 13.930 -6.655 11.323 1.00 0.00 N
ATOM 3097 H TYR A 203 14.014 -6.033 10.532 1.00 0.00 H
ATOM 3098 CA TYR A 203 13.986 -6.126 12.678 1.00 0.00 C
ATOM 3099 HA TYR A 203 14.505 -6.834 13.324 1.00 0.00 H
ATOM 3100 CB TYR A 203 14.814 -4.828 12.774 1.00 0.00 C
ATOM 3101 HB1 TYR A 203 14.535 -4.157 11.962 1.00 0.00 H
ATOM 3102 HB2 TYR A 203 14.619 -4.341 13.730 1.00 0.00 H
ATOM 3103 CG TYR A 203 16.288 -5.135 12.672 1.00 0.00 C
ATOM 3104 CD1 TYR A 203 16.965 -4.975 11.468 1.00 0.00 C
ATOM 3105 HD1 TYR A 203 16.455 -4.556 10.613 1.00 0.00 H
ATOM 3106 CE1 TYR A 203 18.296 -5.344 11.334 1.00 0.00 C
ATOM 3107 HE1 TYR A 203 18.805 -5.198 10.393 1.00 0.00 H
ATOM 3108 CZ TYR A 203 18.973 -5.902 12.409 1.00 0.00 C
ATOM 3109 OH TYR A 203 20.309 -6.235 12.249 1.00 0.00 O
ATOM 3110 HH TYR A 203 20.502 -6.348 11.315 1.00 0.00 H
ATOM 3111 CE2 TYR A 203 18.323 -6.090 13.616 1.00 0.00 C
ATOM 3112 HE2 TYR A 203 18.848 -6.506 14.463 1.00 0.00 H
ATOM 3113 CD2 TYR A 203 16.975 -5.735 13.734 1.00 0.00 C
ATOM 3114 HD2 TYR A 203 16.464 -5.931 14.665 1.00 0.00 H
ATOM 3115 C TYR A 203 12.526 -5.902 13.077 1.00 0.00 C
ATOM 3116 O TYR A 203 11.990 -4.807 12.932 1.00 0.00 O
ATOM 3117 N GLU A 204 11.855 -6.990 13.495 1.00 0.00 N
ATOM 3118 H GLU A 204 12.330 -7.878 13.568 1.00 0.00 H
ATOM 3119 CA GLU A 204 10.449 -6.962 13.857 1.00 0.00 C
ATOM 3120 HA GLU A 204 9.898 -6.365 13.130 1.00 0.00 H
ATOM 3121 CB GLU A 204 9.818 -8.365 13.694 1.00 0.00 C
ATOM 3122 HB1 GLU A 204 10.090 -8.776 12.722 1.00 0.00 H
ATOM 3123 HB2 GLU A 204 10.185 -9.023 14.482 1.00 0.00 H
ATOM 3124 CG GLU A 204 8.298 -8.328 13.781 1.00 0.00 C
ATOM 3125 HG1 GLU A 204 7.998 -7.831 14.703 1.00 0.00 H
ATOM 3126 HG2 GLU A 204 7.898 -7.782 12.927 1.00 0.00 H
ATOM 3127 CD GLU A 204 7.583 -9.664 13.784 1.00 0.00 C
ATOM 3128 OE1 GLU A 204 8.254 -10.719 13.723 1.00 0.00 O
ATOM 3129 OE2 GLU A 204 6.338 -9.651 13.851 1.00 0.00 O
ATOM 3130 C GLU A 204 10.194 -6.440 15.280 1.00 0.00 C
ATOM 3131 O GLU A 204 10.804 -6.908 16.240 1.00 0.00 O
ATOM 3132 N VAL A 205 9.210 -5.538 15.409 1.00 0.00 N
ATOM 3133 H VAL A 205 8.705 -5.223 14.593 1.00 0.00 H
ATOM 3134 CA VAL A 205 8.802 -4.959 16.695 1.00 0.00 C
ATOM 3135 HA VAL A 205 9.360 -5.435 17.502 1.00 0.00 H
ATOM 3136 CB VAL A 205 9.313 -3.501 16.874 1.00 0.00 C
ATOM 3137 HB VAL A 205 8.901 -3.081 17.792 1.00 0.00 H
ATOM 3138 CG1 VAL A 205 10.837 -3.468 16.856 1.00 0.00 C
ATOM 3139 1HG1 VAL A 205 11.181 -2.442 16.982 1.00 0.00 H
ATOM 3140 2HG1 VAL A 205 11.224 -4.083 17.669 1.00 0.00 H
ATOM 3141 3HG1 VAL A 205 11.198 -3.857 15.903 1.00 0.00 H
ATOM 3142 CG2 VAL A 205 8.728 -2.552 15.810 1.00 0.00 C
ATOM 3143 1HG2 VAL A 205 9.111 -1.545 15.972 1.00 0.00 H
ATOM 3144 2HG2 VAL A 205 9.019 -2.896 14.817 1.00 0.00 H
ATOM 3145 3HG2 VAL A 205 7.641 -2.545 15.887 1.00 0.00 H
ATOM 3146 C VAL A 205 7.295 -5.055 16.865 1.00 0.00 C
ATOM 3147 O VAL A 205 6.604 -5.443 15.922 1.00 0.00 O
ATOM 3148 N ILE A 206 6.780 -4.671 18.055 1.00 0.00 N
ATOM 3149 H ILE A 206 7.396 -4.376 18.799 1.00 0.00 H
ATOM 3150 CA ILE A 206 5.345 -4.673 18.298 1.00 0.00 C
ATOM 3151 HA ILE A 206 4.827 -5.052 17.417 1.00 0.00 H
ATOM 3152 CB ILE A 206 4.925 -5.774 19.334 1.00 0.00 C
ATOM 3153 HB ILE A 206 5.446 -5.604 20.277 1.00 0.00 H
ATOM 3154 CG2 ILE A 206 3.446 -5.639 19.718 1.00 0.00 C
ATOM 3155 1HG2 ILE A 206 3.184 -6.415 20.437 1.00 0.00 H
ATOM 3156 2HG2 ILE A 206 3.274 -4.659 20.164 1.00 0.00 H
ATOM 3157 3HG2 ILE A 206 2.827 -5.746 18.827 1.00 0.00 H
ATOM 3158 CG1 ILE A 206 5.213 -7.196 18.780 1.00 0.00 C
ATOM 3159 1HG1 ILE A 206 4.494 -7.433 17.996 1.00 0.00 H
ATOM 3160 2HG1 ILE A 206 6.222 -7.230 18.370 1.00 0.00 H
ATOM 3161 CD ILE A 206 5.114 -8.324 19.843 1.00 0.00 C
ATOM 3162 HD1 ILE A 206 5.328 -9.285 19.376 1.00 0.00 H
ATOM 3163 HD2 ILE A 206 5.836 -8.138 20.638 1.00 0.00 H
ATOM 3164 HD3 ILE A 206 4.109 -8.341 20.264 1.00 0.00 H
ATOM 3165 C ILE A 206 4.872 -3.276 18.725 1.00 0.00 C
ATOM 3166 O ILE A 206 5.333 -2.737 19.743 1.00 0.00 O
ATOM 3167 N ILE A 207 3.925 -2.726 17.953 1.00 0.00 N
ATOM 3168 H ILE A 207 3.619 -3.199 17.115 1.00 0.00 H
ATOM 3169 CA ILE A 207 3.277 -1.433 18.251 1.00 0.00 C
ATOM 3170 HA ILE A 207 3.982 -0.783 18.769 1.00 0.00 H
ATOM 3171 CB ILE A 207 2.930 -0.663 16.953 1.00 0.00 C
ATOM 3172 HB ILE A 207 2.251 -1.262 16.345 1.00 0.00 H
ATOM 3173 CG2 ILE A 207 2.098 0.597 17.270 1.00 0.00 C
ATOM 3174 1HG2 ILE A 207 1.866 1.122 16.343 1.00 0.00 H
ATOM 3175 2HG2 ILE A 207 1.171 0.306 17.764 1.00 0.00 H
ATOM 3176 3HG2 ILE A 207 2.669 1.254 17.926 1.00 0.00 H
ATOM 3177 CG1 ILE A 207 4.229 -0.287 16.163 1.00 0.00 C
ATOM 3178 1HG1 ILE A 207 4.776 0.483 16.706 1.00 0.00 H
ATOM 3179 2HG1 ILE A 207 4.858 -1.171 16.055 1.00 0.00 H
ATOM 3180 CD ILE A 207 3.912 0.260 14.734 1.00 0.00 C
ATOM 3181 HD1 ILE A 207 4.843 0.506 14.224 1.00 0.00 H
ATOM 3182 HD2 ILE A 207 3.377 -0.500 14.165 1.00 0.00 H
ATOM 3183 HD3 ILE A 207 3.295 1.154 14.816 1.00 0.00 H
ATOM 3184 C ILE A 207 2.027 -1.764 19.088 1.00 0.00 C
ATOM 3185 O ILE A 207 1.223 -2.608 18.677 1.00 0.00 O
ATOM 3186 N VAL A 208 1.869 -1.095 20.236 1.00 0.00 N
ATOM 3187 H VAL A 208 2.513 -0.358 20.484 1.00 0.00 H
ATOM 3188 CA VAL A 208 0.776 -1.383 21.184 1.00 0.00 C
ATOM 3189 HA VAL A 208 0.424 -2.404 21.034 1.00 0.00 H
ATOM 3190 CB VAL A 208 1.315 -1.797 22.585 1.00 0.00 C
ATOM 3191 HB VAL A 208 0.477 -2.022 23.245 1.00 0.00 H
ATOM 3192 CG1 VAL A 208 2.289 -2.965 22.468 1.00 0.00 C
ATOM 3193 1HG1 VAL A 208 2.652 -3.236 23.459 1.00 0.00 H
ATOM 3194 2HG1 VAL A 208 1.782 -3.820 22.021 1.00 0.00 H
ATOM 3195 3HG1 VAL A 208 3.132 -2.674 21.840 1.00 0.00 H
ATOM 3196 CG2 VAL A 208 1.956 -0.623 23.319 1.00 0.00 C
ATOM 3197 1HG2 VAL A 208 2.319 -0.956 24.292 1.00 0.00 H
ATOM 3198 2HG2 VAL A 208 2.791 -0.239 22.733 1.00 0.00 H
ATOM 3199 3HG2 VAL A 208 1.218 0.167 23.458 1.00 0.00 H
ATOM 3200 C VAL A 208 -0.341 -0.339 21.268 1.00 0.00 C
ATOM 3201 O VAL A 208 -1.420 -0.618 21.801 1.00 0.00 O
ATOM 3202 N ARG A 209 -0.091 0.844 20.733 1.00 0.00 N
ATOM 3203 H ARG A 209 0.800 1.021 20.293 1.00 0.00 H
ATOM 3204 CA ARG A 209 -1.067 1.946 20.743 1.00 0.00 C
ATOM 3205 HA ARG A 209 -2.044 1.569 20.441 1.00 0.00 H
ATOM 3206 CB ARG A 209 -1.151 2.546 22.173 1.00 0.00 C
ATOM 3207 HB1 ARG A 209 -1.591 1.813 22.850 1.00 0.00 H
ATOM 3208 HB2 ARG A 209 -0.150 2.803 22.519 1.00 0.00 H
ATOM 3209 CG ARG A 209 -1.991 3.820 22.325 1.00 0.00 C
ATOM 3210 HG1 ARG A 209 -1.631 4.578 21.629 1.00 0.00 H
ATOM 3211 HG2 ARG A 209 -3.035 3.595 22.107 1.00 0.00 H
ATOM 3212 CD ARG A 209 -1.867 4.332 23.744 1.00 0.00 C
ATOM 3213 HD1 ARG A 209 -2.371 3.646 24.424 1.00 0.00 H
ATOM 3214 HD2 ARG A 209 -0.813 4.402 24.014 1.00 0.00 H
ATOM 3215 NE ARG A 209 -2.470 5.660 23.900 1.00 0.00 N
ATOM 3216 HE ARG A 209 -1.884 6.435 23.624 1.00 0.00 H
ATOM 3217 CZ ARG A 209 -3.694 5.886 24.365 1.00 0.00 C
ATOM 3218 NH1 ARG A 209 -4.490 4.873 24.685 1.00 0.00 N
ATOM 3219 1HH1 ARG A 209 -4.166 3.922 24.576 1.00 0.00 H
ATOM 3220 2HH1 ARG A 209 -5.419 5.052 25.038 1.00 0.00 H
ATOM 3221 NH2 ARG A 209 -4.140 7.127 24.489 1.00 0.00 N
ATOM 3222 1HH2 ARG A 209 -3.549 7.905 24.231 1.00 0.00 H
ATOM 3223 2HH2 ARG A 209 -5.071 7.296 24.843 1.00 0.00 H
ATOM 3224 C ARG A 209 -0.586 3.008 19.755 1.00 0.00 C
ATOM 3225 O ARG A 209 0.620 3.178 19.542 1.00 0.00 O
ATOM 3226 N VAL A 210 -1.530 3.693 19.128 1.00 0.00 N
ATOM 3227 H VAL A 210 -2.503 3.472 19.285 1.00 0.00 H
ATOM 3228 CA VAL A 210 -1.181 4.777 18.200 1.00 0.00 C
ATOM 3229 HA VAL A 210 -0.120 5.010 18.296 1.00 0.00 H
ATOM 3230 CB VAL A 210 -1.437 4.371 16.717 1.00 0.00 C
ATOM 3231 HB VAL A 210 -2.428 3.925 16.628 1.00 0.00 H
ATOM 3232 CG1 VAL A 210 -1.256 5.575 15.759 1.00 0.00 C
ATOM 3233 1HG1 VAL A 210 -1.443 5.256 14.733 1.00 0.00 H
ATOM 3234 2HG1 VAL A 210 -1.961 6.363 16.027 1.00 0.00 H
ATOM 3235 3HG1 VAL A 210 -0.238 5.956 15.841 1.00 0.00 H
ATOM 3236 CG2 VAL A 210 -0.536 3.193 16.296 1.00 0.00 C
ATOM 3237 1HG2 VAL A 210 -0.739 2.934 15.257 1.00 0.00 H
ATOM 3238 2HG2 VAL A 210 0.510 3.480 16.402 1.00 0.00 H
ATOM 3239 3HG2 VAL A 210 -0.743 2.332 16.932 1.00 0.00 H
ATOM 3240 C VAL A 210 -2.043 5.962 18.579 1.00 0.00 C
ATOM 3241 O VAL A 210 -3.252 5.789 18.797 1.00 0.00 O
ATOM 3242 N GLU A 211 -1.440 7.174 18.626 1.00 0.00 N
ATOM 3243 H GLU A 211 -0.442 7.246 18.486 1.00 0.00 H
ATOM 3244 CA GLU A 211 -2.170 8.418 18.873 1.00 0.00 C
ATOM 3245 HA GLU A 211 -3.242 8.223 18.843 1.00 0.00 H
ATOM 3246 CB GLU A 211 -1.696 9.112 20.147 1.00 0.00 C
ATOM 3247 HB1 GLU A 211 -0.608 9.182 20.140 1.00 0.00 H
ATOM 3248 HB2 GLU A 211 -2.124 10.113 20.197 1.00 0.00 H
ATOM 3249 CG GLU A 211 -2.078 8.411 21.424 1.00 0.00 C
ATOM 3250 HG1 GLU A 211 -3.156 8.482 21.570 1.00 0.00 H
ATOM 3251 HG2 GLU A 211 -1.789 7.362 21.364 1.00 0.00 H
ATOM 3252 CD GLU A 211 -1.420 8.985 22.668 1.00 0.00 C
ATOM 3253 OE1 GLU A 211 -0.688 9.995 22.592 1.00 0.00 O
ATOM 3254 OE2 GLU A 211 -1.607 8.377 23.733 1.00 0.00 O
ATOM 3255 C GLU A 211 -1.886 9.402 17.757 1.00 0.00 C
ATOM 3256 O GLU A 211 -0.760 9.457 17.258 1.00 0.00 O
ATOM 3257 N ILE A 212 -2.857 10.269 17.482 1.00 0.00 N
ATOM 3258 H ILE A 212 -3.757 10.177 17.930 1.00 0.00 H
ATOM 3259 CA ILE A 212 -2.712 11.392 16.541 1.00 0.00 C
ATOM 3260 HA ILE A 212 -1.692 11.416 16.157 1.00 0.00 H
ATOM 3261 CB ILE A 212 -3.667 11.291 15.310 1.00 0.00 C
ATOM 3262 HB ILE A 212 -4.689 11.506 15.624 1.00 0.00 H
ATOM 3263 CG2 ILE A 212 -3.489 12.502 14.373 1.00 0.00 C
ATOM 3264 1HG2 ILE A 212 -4.166 12.407 13.524 1.00 0.00 H
ATOM 3265 2HG2 ILE A 212 -3.716 13.420 14.916 1.00 0.00 H
ATOM 3266 3HG2 ILE A 212 -2.461 12.537 14.014 1.00 0.00 H
ATOM 3267 CG1 ILE A 212 -3.565 9.963 14.531 1.00 0.00 C
ATOM 3268 1HG1 ILE A 212 -3.932 9.147 15.154 1.00 0.00 H
ATOM 3269 2HG1 ILE A 212 -4.167 10.026 13.625 1.00 0.00 H
ATOM 3270 CD ILE A 212 -2.163 9.526 14.065 1.00 0.00 C
ATOM 3271 HD1 ILE A 212 -2.235 8.578 13.532 1.00 0.00 H
ATOM 3272 HD2 ILE A 212 -1.747 10.284 13.402 1.00 0.00 H
ATOM 3273 HD3 ILE A 212 -1.512 9.406 14.931 1.00 0.00 H
ATOM 3274 C ILE A 212 -3.046 12.600 17.401 1.00 0.00 C
ATOM 3275 O ILE A 212 -4.190 12.753 17.824 1.00 0.00 O
ATOM 3276 N ASN A 213 -2.052 13.452 17.683 1.00 0.00 N
ATOM 3277 H ASN A 213 -1.144 13.325 17.260 1.00 0.00 H
ATOM 3278 CA ASN A 213 -2.227 14.588 18.599 1.00 0.00 C
ATOM 3279 HA ASN A 213 -1.275 15.104 18.725 1.00 0.00 H
ATOM 3280 CB ASN A 213 -3.048 15.717 17.947 1.00 0.00 C
ATOM 3281 HB1 ASN A 213 -3.585 15.324 17.084 1.00 0.00 H
ATOM 3282 HB2 ASN A 213 -3.763 16.112 18.670 1.00 0.00 H
ATOM 3283 CG ASN A 213 -2.209 16.877 17.465 1.00 0.00 C
ATOM 3284 OD1 ASN A 213 -0.980 16.854 17.540 1.00 0.00 O
ATOM 3285 ND2 ASN A 213 -2.869 17.867 16.849 1.00 0.00 N
ATOM 3286 1HD2 ASN A 213 -3.870 17.810 16.730 1.00 0.00 H
ATOM 3287 2HD2 ASN A 213 -2.365 18.671 16.503 1.00 0.00 H
ATOM 3288 C ASN A 213 -2.850 14.151 19.965 1.00 0.00 C
ATOM 3289 O ASN A 213 -3.754 14.808 20.479 1.00 0.00 O
ATOM 3290 N GLY A 214 -2.326 13.074 20.540 1.00 0.00 N
ATOM 3291 H GLY A 214 -1.568 12.580 20.092 1.00 0.00 H
ATOM 3292 CA GLY A 214 -2.823 12.574 21.826 1.00 0.00 C
ATOM 3293 HA1 GLY A 214 -2.078 11.916 22.272 1.00 0.00 H
ATOM 3294 HA2 GLY A 214 -3.011 13.414 22.495 1.00 0.00 H
ATOM 3295 C GLY A 214 -4.125 11.776 21.739 1.00 0.00 C
ATOM 3296 O GLY A 214 -4.524 11.136 22.713 1.00 0.00 O
ATOM 3297 N GLN A 215 -4.798 11.788 20.582 1.00 0.00 N
ATOM 3298 H GLN A 215 -4.432 12.298 19.791 1.00 0.00 H
ATOM 3299 CA GLN A 215 -6.073 11.069 20.428 1.00 0.00 C
ATOM 3300 HA GLN A 215 -6.641 11.133 21.356 1.00 0.00 H
ATOM 3301 CB GLN A 215 -7.009 11.774 19.423 1.00 0.00 C
ATOM 3302 HB1 GLN A 215 -7.214 12.788 19.765 1.00 0.00 H
ATOM 3303 HB2 GLN A 215 -6.530 11.812 18.444 1.00 0.00 H
ATOM 3304 CG GLN A 215 -8.342 11.025 19.286 1.00 0.00 C
ATOM 3305 HG1 GLN A 215 -8.189 10.110 18.714 1.00 0.00 H
ATOM 3306 HG2 GLN A 215 -8.722 10.774 20.277 1.00 0.00 H
ATOM 3307 CD GLN A 215 -9.417 11.833 18.576 1.00 0.00 C
ATOM 3308 OE1 GLN A 215 -9.175 12.840 17.925 1.00 0.00 O
ATOM 3309 NE2 GLN A 215 -10.633 11.407 18.711 1.00 0.00 N
ATOM 3310 1HE2 GLN A 215 -10.821 10.582 19.262 1.00 0.00 H
ATOM 3311 2HE2 GLN A 215 -11.393 11.900 18.264 1.00 0.00 H
ATOM 3312 C GLN A 215 -5.819 9.641 20.016 1.00 0.00 C
ATOM 3313 O GLN A 215 -5.205 9.385 18.976 1.00 0.00 O
ATOM 3314 N ASP A 216 -6.307 8.697 20.828 1.00 0.00 N
ATOM 3315 H ASP A 216 -6.850 8.959 21.639 1.00 0.00 H
ATOM 3316 CA ASP A 216 -6.071 7.285 20.569 1.00 0.00 C
ATOM 3317 HA ASP A 216 -4.999 7.104 20.490 1.00 0.00 H
ATOM 3318 CB ASP A 216 -6.635 6.482 21.762 1.00 0.00 C
ATOM 3319 HB1 ASP A 216 -6.104 6.761 22.672 1.00 0.00 H
ATOM 3320 HB2 ASP A 216 -7.696 6.703 21.880 1.00 0.00 H
ATOM 3321 CG ASP A 216 -6.546 4.969 21.694 1.00 0.00 C
ATOM 3322 OD1 ASP A 216 -5.811 4.451 20.824 1.00 0.00 O
ATOM 3323 OD2 ASP A 216 -7.156 4.310 22.558 1.00 0.00 O
ATOM 3324 C ASP A 216 -6.767 6.883 19.267 1.00 0.00 C
ATOM 3325 O ASP A 216 -7.946 7.171 19.099 1.00 0.00 O
ATOM 3326 N LEU A 217 -6.051 6.193 18.362 1.00 0.00 N
ATOM 3327 H LEU A 217 -5.076 5.993 18.536 1.00 0.00 H
ATOM 3328 CA LEU A 217 -6.653 5.714 17.107 1.00 0.00 C
ATOM 3329 HA LEU A 217 -7.056 6.560 16.550 1.00 0.00 H
ATOM 3330 CB LEU A 217 -5.560 5.141 16.168 1.00 0.00 C
ATOM 3331 HB1 LEU A 217 -4.608 5.627 16.379 1.00 0.00 H
ATOM 3332 HB2 LEU A 217 -5.464 4.068 16.335 1.00 0.00 H
ATOM 3333 CG LEU A 217 -5.770 5.298 14.668 1.00 0.00 C
ATOM 3334 HG LEU A 217 -6.574 4.639 14.342 1.00 0.00 H
ATOM 3335 CD1 LEU A 217 -6.110 6.767 14.269 1.00 0.00 C
ATOM 3336 1HD1 LEU A 217 -6.250 6.827 13.190 1.00 0.00 H
ATOM 3337 2HD1 LEU A 217 -7.025 7.078 14.772 1.00 0.00 H
ATOM 3338 3HD1 LEU A 217 -5.291 7.423 14.566 1.00 0.00 H
ATOM 3339 CD2 LEU A 217 -4.521 4.851 13.935 1.00 0.00 C
ATOM 3340 1HD2 LEU A 217 -4.670 4.963 12.861 1.00 0.00 H
ATOM 3341 2HD2 LEU A 217 -3.676 5.463 14.250 1.00 0.00 H
ATOM 3342 3HD2 LEU A 217 -4.318 3.805 14.165 1.00 0.00 H
ATOM 3343 C LEU A 217 -7.730 4.669 17.406 1.00 0.00 C
ATOM 3344 O LEU A 217 -8.636 4.452 16.600 1.00 0.00 O
ATOM 3345 N LYS A 218 -7.627 4.038 18.585 1.00 0.00 N
ATOM 3346 H LYS A 218 -6.820 4.193 19.172 1.00 0.00 H
ATOM 3347 CA LYS A 218 -8.598 3.106 19.145 1.00 0.00 C
ATOM 3348 HA LYS A 218 -8.299 2.833 20.157 1.00 0.00 H
ATOM 3349 CB LYS A 218 -9.897 3.883 19.480 1.00 0.00 C
ATOM 3350 HB1 LYS A 218 -9.651 4.918 19.718 1.00 0.00 H
ATOM 3351 HB2 LYS A 218 -10.568 3.858 18.621 1.00 0.00 H
ATOM 3352 CG LYS A 218 -10.686 3.357 20.647 1.00 0.00 C
ATOM 3353 HG1 LYS A 218 -10.905 2.300 20.492 1.00 0.00 H
ATOM 3354 HG2 LYS A 218 -10.105 3.476 21.562 1.00 0.00 H
ATOM 3355 CD LYS A 218 -11.964 4.149 20.732 1.00 0.00 C
ATOM 3356 HD1 LYS A 218 -11.735 5.182 20.996 1.00 0.00 H
ATOM 3357 HD2 LYS A 218 -12.472 4.125 19.768 1.00 0.00 H
ATOM 3358 CE LYS A 218 -12.900 3.600 21.766 1.00 0.00 C
ATOM 3359 HE1 LYS A 218 -13.245 2.613 21.458 1.00 0.00 H
ATOM 3360 HE2 LYS A 218 -12.382 3.522 22.722 1.00 0.00 H
ATOM 3361 NZ LYS A 218 -14.075 4.492 21.928 1.00 0.00 N
ATOM 3362 HZ1 LYS A 218 -14.550 4.587 21.042 1.00 0.00 H
ATOM 3363 HZ2 LYS A 218 -14.708 4.095 22.608 1.00 0.00 H
ATOM 3364 HZ3 LYS A 218 -13.768 5.400 22.244 1.00 0.00 H
ATOM 3365 C LYS A 218 -8.871 1.865 18.279 1.00 0.00 C
ATOM 3366 O LYS A 218 -9.970 1.334 18.277 1.00 0.00 O
ATOM 3367 N MET A 219 -7.858 1.376 17.594 1.00 0.00 N
ATOM 3368 H MET A 219 -6.967 1.852 17.599 1.00 0.00 H
ATOM 3369 CA MET A 219 -8.020 0.142 16.824 1.00 0.00 C
ATOM 3370 HA MET A 219 -9.071 0.010 16.566 1.00 0.00 H
ATOM 3371 CB MET A 219 -7.205 0.235 15.525 1.00 0.00 C
ATOM 3372 HB1 MET A 219 -6.168 0.474 15.762 1.00 0.00 H
ATOM 3373 HB2 MET A 219 -7.247 -0.719 15.000 1.00 0.00 H
ATOM 3374 CG MET A 219 -7.729 1.306 14.592 1.00 0.00 C
ATOM 3375 HG1 MET A 219 -8.777 1.110 14.365 1.00 0.00 H
ATOM 3376 HG2 MET A 219 -7.637 2.282 15.069 1.00 0.00 H
ATOM 3377 SD MET A 219 -6.784 1.302 13.069 1.00 0.00 S
ATOM 3378 CE MET A 219 -7.606 -0.071 12.140 1.00 0.00 C
ATOM 3379 HE1 MET A 219 -7.125 -0.193 11.170 1.00 0.00 H
ATOM 3380 HE2 MET A 219 -7.518 -0.998 12.708 1.00 0.00 H
ATOM 3381 HE3 MET A 219 -8.660 0.167 11.996 1.00 0.00 H
ATOM 3382 C MET A 219 -7.533 -1.023 17.672 1.00 0.00 C
ATOM 3383 O MET A 219 -6.764 -0.806 18.606 1.00 0.00 O
ATOM 3384 N ASP A 220 -7.995 -2.255 17.371 1.00 0.00 N
ATOM 3385 H ASP A 220 -8.715 -2.367 16.672 1.00 0.00 H
ATOM 3386 CA ASP A 220 -7.499 -3.475 18.016 1.00 0.00 C
ATOM 3387 HA ASP A 220 -7.631 -3.395 19.095 1.00 0.00 H
ATOM 3388 CB ASP A 220 -8.137 -4.716 17.355 1.00 0.00 C
ATOM 3389 HB1 ASP A 220 -9.219 -4.679 17.478 1.00 0.00 H
ATOM 3390 HB2 ASP A 220 -7.893 -4.729 16.292 1.00 0.00 H
ATOM 3391 CG ASP A 220 -7.700 -6.072 17.900 1.00 0.00 C
ATOM 3392 OD1 ASP A 220 -6.510 -6.222 18.260 1.00 0.00 O
ATOM 3393 OD2 ASP A 220 -8.522 -7.004 17.882 1.00 0.00 O
ATOM 3394 C ASP A 220 -6.013 -3.439 17.686 1.00 0.00 C
ATOM 3395 O ASP A 220 -5.674 -3.268 16.517 1.00 0.00 O
ATOM 3396 N CYS A 221 -5.142 -3.531 18.694 1.00 0.00 N
ATOM 3397 H CYS A 221 -5.472 -3.702 19.633 1.00 0.00 H
ATOM 3398 CA CYS A 221 -3.705 -3.393 18.496 1.00 0.00 C
ATOM 3399 HA CYS A 221 -3.465 -2.351 18.288 1.00 0.00 H
ATOM 3400 CB CYS A 221 -2.940 -3.299 19.814 1.00 0.00 C
ATOM 3401 HB1 CYS A 221 -1.896 -3.059 19.613 1.00 0.00 H
ATOM 3402 HB2 CYS A 221 -3.379 -2.517 20.434 1.00 0.00 H
ATOM 3403 SG CYS A 221 -2.952 -4.820 20.799 1.00 0.00 S
ATOM 3404 C CYS A 221 -3.094 -4.389 17.534 1.00 0.00 C
ATOM 3405 O CYS A 221 -2.074 -4.083 16.920 1.00 0.00 O
ATOM 3406 N LYS A 222 -3.745 -5.548 17.329 1.00 0.00 N
ATOM 3407 H LYS A 222 -4.579 -5.759 17.859 1.00 0.00 H
ATOM 3408 CA LYS A 222 -3.267 -6.527 16.340 1.00 0.00 C
ATOM 3409 HA LYS A 222 -2.263 -6.856 16.610 1.00 0.00 H
ATOM 3410 CB LYS A 222 -4.181 -7.762 16.335 1.00 0.00 C
ATOM 3411 HB1 LYS A 222 -5.097 -7.539 16.883 1.00 0.00 H
ATOM 3412 HB2 LYS A 222 -4.430 -8.027 15.307 1.00 0.00 H
ATOM 3413 CG LYS A 222 -3.523 -8.953 16.981 1.00 0.00 C
ATOM 3414 HG1 LYS A 222 -2.737 -9.333 16.329 1.00 0.00 H
ATOM 3415 HG2 LYS A 222 -3.091 -8.656 17.936 1.00 0.00 H
ATOM 3416 CD LYS A 222 -4.512 -10.082 17.239 1.00 0.00 C
ATOM 3417 HD1 LYS A 222 -5.122 -9.840 18.109 1.00 0.00 H
ATOM 3418 HD2 LYS A 222 -5.156 -10.207 16.368 1.00 0.00 H
ATOM 3419 CE LYS A 222 -3.833 -11.403 17.504 1.00 0.00 C
ATOM 3420 HE1 LYS A 222 -4.586 -12.167 17.696 1.00 0.00 H
ATOM 3421 HE2 LYS A 222 -3.240 -11.688 16.636 1.00 0.00 H
ATOM 3422 NZ LYS A 222 -2.919 -11.382 18.675 1.00 0.00 N
ATOM 3423 HZ1 LYS A 222 -2.043 -10.954 18.411 1.00 0.00 H
ATOM 3424 HZ2 LYS A 222 -3.340 -10.850 19.423 1.00 0.00 H
ATOM 3425 HZ3 LYS A 222 -2.750 -12.327 18.988 1.00 0.00 H
ATOM 3426 C LYS A 222 -3.247 -5.900 14.943 1.00 0.00 C
ATOM 3427 O LYS A 222 -2.406 -6.254 14.134 1.00 0.00 O
ATOM 3428 N GLU A 223 -4.161 -4.950 14.673 1.00 0.00 N
ATOM 3429 H GLU A 223 -4.829 -4.677 15.380 1.00 0.00 H
ATOM 3430 CA GLU A 223 -4.262 -4.259 13.386 1.00 0.00 C
ATOM 3431 HA GLU A 223 -4.467 -4.985 12.598 1.00 0.00 H
ATOM 3432 CB GLU A 223 -5.422 -3.250 13.393 1.00 0.00 C
ATOM 3433 HB1 GLU A 223 -5.319 -2.584 14.249 1.00 0.00 H
ATOM 3434 HB2 GLU A 223 -5.401 -2.666 12.473 1.00 0.00 H
ATOM 3435 CG GLU A 223 -6.809 -3.882 13.486 1.00 0.00 C
ATOM 3436 HG1 GLU A 223 -6.849 -4.545 14.350 1.00 0.00 H
ATOM 3437 HG2 GLU A 223 -7.558 -3.098 13.595 1.00 0.00 H
ATOM 3438 CD GLU A 223 -7.230 -4.710 12.294 1.00 0.00 C
ATOM 3439 OE1 GLU A 223 -7.029 -4.267 11.138 1.00 0.00 O
ATOM 3440 OE2 GLU A 223 -7.775 -5.810 12.520 1.00 0.00 O
ATOM 3441 C GLU A 223 -2.974 -3.514 13.061 1.00 0.00 C
ATOM 3442 O GLU A 223 -2.569 -3.481 11.907 1.00 0.00 O
ATOM 3443 N TYR A 224 -2.345 -2.922 14.073 1.00 0.00 N
ATOM 3444 H TYR A 224 -2.717 -2.992 15.009 1.00 0.00 H
ATOM 3445 CA TYR A 224 -1.108 -2.149 13.915 1.00 0.00 C
ATOM 3446 HA TYR A 224 -1.264 -1.356 13.183 1.00 0.00 H
ATOM 3447 CB TYR A 224 -0.759 -1.435 15.224 1.00 0.00 C
ATOM 3448 HB1 TYR A 224 -0.532 -2.174 15.993 1.00 0.00 H
ATOM 3449 HB2 TYR A 224 0.109 -0.794 15.069 1.00 0.00 H
ATOM 3450 CG TYR A 224 -1.839 -0.539 15.813 1.00 0.00 C
ATOM 3451 CD1 TYR A 224 -2.056 -0.493 17.189 1.00 0.00 C
ATOM 3452 HD1 TYR A 224 -1.475 -1.120 17.849 1.00 0.00 H
ATOM 3453 CE1 TYR A 224 -3.018 0.354 17.745 1.00 0.00 C
ATOM 3454 HE1 TYR A 224 -3.184 0.356 18.812 1.00 0.00 H
ATOM 3455 CZ TYR A 224 -3.758 1.190 16.923 1.00 0.00 C
ATOM 3456 OH TYR A 224 -4.686 2.037 17.467 1.00 0.00 O
ATOM 3457 HH TYR A 224 -4.708 1.918 18.420 1.00 0.00 H
ATOM 3458 CE2 TYR A 224 -3.550 1.175 15.552 1.00 0.00 C
ATOM 3459 HE2 TYR A 224 -4.128 1.821 14.907 1.00 0.00 H
ATOM 3460 CD2 TYR A 224 -2.587 0.320 15.005 1.00 0.00 C
ATOM 3461 HD2 TYR A 224 -2.428 0.332 13.937 1.00 0.00 H
ATOM 3462 C TYR A 224 0.103 -3.002 13.482 1.00 0.00 C
ATOM 3463 O TYR A 224 1.065 -2.466 12.932 1.00 0.00 O
ATOM 3464 N ASN A 225 0.080 -4.297 13.787 1.00 0.00 N
ATOM 3465 H ASN A 225 -0.722 -4.690 14.259 1.00 0.00 H
ATOM 3466 CA ASN A 225 1.174 -5.216 13.473 1.00 0.00 C
ATOM 3467 HA ASN A 225 2.009 -4.657 13.050 1.00 0.00 H
ATOM 3468 CB ASN A 225 1.709 -5.853 14.760 1.00 0.00 C
ATOM 3469 HB1 ASN A 225 0.962 -6.536 15.165 1.00 0.00 H
ATOM 3470 HB2 ASN A 225 2.623 -6.405 14.540 1.00 0.00 H
ATOM 3471 CG ASN A 225 2.021 -4.823 15.802 1.00 0.00 C
ATOM 3472 OD1 ASN A 225 2.933 -4.001 15.636 1.00 0.00 O
ATOM 3473 ND2 ASN A 225 1.161 -4.751 16.808 1.00 0.00 N
ATOM 3474 1HD2 ASN A 225 0.361 -5.366 16.833 1.00 0.00 H
ATOM 3475 2HD2 ASN A 225 1.306 -4.080 17.548 1.00 0.00 H
ATOM 3476 C ASN A 225 0.725 -6.305 12.503 1.00 0.00 C
ATOM 3477 O ASN A 225 1.272 -7.406 12.519 1.00 0.00 O
ATOM 3478 N TYR A 226 -0.278 -6.001 11.683 1.00 0.00 N
ATOM 3479 H TYR A 226 -0.698 -5.083 11.718 1.00 0.00 H
ATOM 3480 CA TYR A 226 -0.803 -6.962 10.716 1.00 0.00 C
ATOM 3481 HA TYR A 226 -0.670 -7.973 11.100 1.00 0.00 H
ATOM 3482 CB TYR A 226 -2.347 -6.828 10.606 1.00 0.00 C
ATOM 3483 HB1 TYR A 226 -2.810 -7.195 11.522 1.00 0.00 H
ATOM 3484 HB2 TYR A 226 -2.612 -5.781 10.461 1.00 0.00 H
ATOM 3485 CG TYR A 226 -2.912 -7.620 9.446 1.00 0.00 C
ATOM 3486 CD1 TYR A 226 -2.896 -9.012 9.451 1.00 0.00 C
ATOM 3487 HD1 TYR A 226 -2.514 -9.544 10.309 1.00 0.00 H
ATOM 3488 CE1 TYR A 226 -3.367 -9.745 8.362 1.00 0.00 C
ATOM 3489 HE1 TYR A 226 -3.324 -10.824 8.378 1.00 0.00 H
ATOM 3490 CZ TYR A 226 -3.888 -9.084 7.260 1.00 0.00 C
ATOM 3491 OH TYR A 226 -4.368 -9.806 6.191 1.00 0.00 O
ATOM 3492 HH TYR A 226 -4.269 -10.744 6.367 1.00 0.00 H
ATOM 3493 CE2 TYR A 226 -3.921 -7.698 7.236 1.00 0.00 C
ATOM 3494 HE2 TYR A 226 -4.325 -7.179 6.379 1.00 0.00 H
ATOM 3495 CD2 TYR A 226 -3.429 -6.975 8.323 1.00 0.00 C
ATOM 3496 HD2 TYR A 226 -3.454 -5.896 8.284 1.00 0.00 H
ATOM 3497 C TYR A 226 -0.133 -6.786 9.343 1.00 0.00 C
ATOM 3498 O TYR A 226 -0.386 -5.771 8.700 1.00 0.00 O
ATOM 3499 N ASP A 227 0.691 -7.729 8.858 1.00 0.00 N
ATOM 3500 H ASP A 227 1.138 -7.597 7.962 1.00 0.00 H
ATOM 3501 CA ASP A 227 1.083 -9.018 9.457 1.00 0.00 C
ATOM 3502 HA ASP A 227 0.260 -9.404 10.060 1.00 0.00 H
ATOM 3503 CB ASP A 227 1.125 -10.118 8.381 1.00 0.00 C
ATOM 3504 HB1 ASP A 227 1.453 -11.055 8.831 1.00 0.00 H
ATOM 3505 HB2 ASP A 227 0.130 -10.249 7.956 1.00 0.00 H
ATOM 3506 CG ASP A 227 2.050 -9.885 7.196 1.00 0.00 C
ATOM 3507 OD1 ASP A 227 2.611 -8.772 7.077 1.00 0.00 O
ATOM 3508 OD2 ASP A 227 2.200 -10.812 6.376 1.00 0.00 O
ATOM 3509 C ASP A 227 2.384 -8.999 10.254 1.00 0.00 C
ATOM 3510 O ASP A 227 2.796 -10.022 10.795 1.00 0.00 O
ATOM 3511 N LYS A 228 3.048 -7.824 10.307 1.00 0.00 N
ATOM 3512 H LYS A 228 2.694 -7.021 9.807 1.00 0.00 H
ATOM 3513 CA LYS A 228 4.285 -7.599 11.052 1.00 0.00 C
ATOM 3514 HA LYS A 228 4.185 -8.010 12.056 1.00 0.00 H
ATOM 3515 CB LYS A 228 5.503 -8.300 10.394 1.00 0.00 C
ATOM 3516 HB1 LYS A 228 6.392 -8.129 11.001 1.00 0.00 H
ATOM 3517 HB2 LYS A 228 5.312 -9.371 10.324 1.00 0.00 H
ATOM 3518 CG LYS A 228 5.830 -7.810 8.972 1.00 0.00 C
ATOM 3519 HG1 LYS A 228 4.984 -8.009 8.314 1.00 0.00 H
ATOM 3520 HG2 LYS A 228 6.029 -6.738 8.992 1.00 0.00 H
ATOM 3521 CD LYS A 228 7.058 -8.520 8.413 1.00 0.00 C
ATOM 3522 HD1 LYS A 228 7.934 -8.249 9.001 1.00 0.00 H
ATOM 3523 HD2 LYS A 228 6.907 -9.599 8.461 1.00 0.00 H
ATOM 3524 CE LYS A 228 7.298 -8.126 6.969 1.00 0.00 C
ATOM 3525 HE1 LYS A 228 7.347 -7.040 6.892 1.00 0.00 H
ATOM 3526 HE2 LYS A 228 8.239 -8.557 6.627 1.00 0.00 H
ATOM 3527 NZ LYS A 228 6.199 -8.619 6.095 1.00 0.00 N
ATOM 3528 HZ1 LYS A 228 5.451 -7.941 6.079 1.00 0.00 H
ATOM 3529 HZ2 LYS A 228 6.549 -8.755 5.157 1.00 0.00 H
ATOM 3530 HZ3 LYS A 228 5.850 -9.496 6.454 1.00 0.00 H
ATOM 3531 C LYS A 228 4.521 -6.098 11.099 1.00 0.00 C
ATOM 3532 O LYS A 228 3.907 -5.379 10.315 1.00 0.00 O
ATOM 3533 N SER A 229 5.395 -5.633 12.007 1.00 0.00 N
ATOM 3534 H SER A 229 5.775 -6.255 12.707 1.00 0.00 H
ATOM 3535 CA SER A 229 5.858 -4.244 12.063 1.00 0.00 C
ATOM 3536 HA SER A 229 5.516 -3.711 11.176 1.00 0.00 H
ATOM 3537 CB SER A 229 5.373 -3.537 13.323 1.00 0.00 C
ATOM 3538 HB1 SER A 229 5.597 -4.154 14.194 1.00 0.00 H
ATOM 3539 HB2 SER A 229 5.879 -2.577 13.419 1.00 0.00 H
ATOM 3540 OG SER A 229 3.981 -3.327 13.244 1.00 0.00 O
ATOM 3541 HG SER A 229 3.574 -3.558 14.082 1.00 0.00 H
ATOM 3542 C SER A 229 7.383 -4.333 12.080 1.00 0.00 C
ATOM 3543 O SER A 229 7.944 -5.075 12.883 1.00 0.00 O
ATOM 3544 N ILE A 230 8.049 -3.603 11.175 1.00 0.00 N
ATOM 3545 H ILE A 230 7.544 -2.995 10.546 1.00 0.00 H
ATOM 3546 CA ILE A 230 9.505 -3.659 11.065 1.00 0.00 C
ATOM 3547 HA ILE A 230 9.908 -4.263 11.878 1.00 0.00 H
ATOM 3548 CB ILE A 230 9.956 -4.489 9.814 1.00 0.00 C
ATOM 3549 HB ILE A 230 10.986 -4.820 9.948 1.00 0.00 H
ATOM 3550 CG2 ILE A 230 9.317 -5.894 9.782 1.00 0.00 C
ATOM 3551 1HG2 ILE A 230 9.660 -6.430 8.897 1.00 0.00 H
ATOM 3552 2HG2 ILE A 230 9.607 -6.446 10.675 1.00 0.00 H
ATOM 3553 3HG2 ILE A 230 8.231 -5.799 9.750 1.00 0.00 H
ATOM 3554 CG1 ILE A 230 9.710 -3.690 8.492 1.00 0.00 C
ATOM 3555 1HG1 ILE A 230 8.638 -3.580 8.327 1.00 0.00 H
ATOM 3556 2HG1 ILE A 230 10.167 -2.704 8.573 1.00 0.00 H
ATOM 3557 CD ILE A 230 10.295 -4.332 7.133 1.00 0.00 C
ATOM 3558 HD1 ILE A 230 10.058 -3.681 6.291 1.00 0.00 H
ATOM 3559 HD2 ILE A 230 11.377 -4.436 7.217 1.00 0.00 H
ATOM 3560 HD3 ILE A 230 9.848 -5.312 6.972 1.00 0.00 H
ATOM 3561 C ILE A 230 10.119 -2.253 11.037 1.00 0.00 C
ATOM 3562 O ILE A 230 9.430 -1.270 10.711 1.00 0.00 O
ATOM 3563 N VAL A 231 11.423 -2.176 11.350 1.00 0.00 N
ATOM 3564 H VAL A 231 11.921 -3.004 11.646 1.00 0.00 H
ATOM 3565 CA VAL A 231 12.217 -0.926 11.292 1.00 0.00 C
ATOM 3566 HA VAL A 231 11.545 -0.072 11.208 1.00 0.00 H
ATOM 3567 CB VAL A 231 13.080 -0.726 12.555 1.00 0.00 C
ATOM 3568 HB VAL A 231 13.747 -1.579 12.677 1.00 0.00 H
ATOM 3569 CG1 VAL A 231 13.848 0.590 12.482 1.00 0.00 C
ATOM 3570 1HG1 VAL A 231 14.450 0.710 13.383 1.00 0.00 H
ATOM 3571 2HG1 VAL A 231 14.499 0.583 11.609 1.00 0.00 H
ATOM 3572 3HG1 VAL A 231 13.143 1.418 12.404 1.00 0.00 H
ATOM 3573 CG2 VAL A 231 12.228 -0.792 13.829 1.00 0.00 C
ATOM 3574 1HG2 VAL A 231 12.865 -0.648 14.701 1.00 0.00 H
ATOM 3575 2HG2 VAL A 231 11.469 -0.010 13.801 1.00 0.00 H
ATOM 3576 3HG2 VAL A 231 11.742 -1.766 13.892 1.00 0.00 H
ATOM 3577 C VAL A 231 13.086 -1.098 10.056 1.00 0.00 C
ATOM 3578 O VAL A 231 13.920 -2.014 10.022 1.00 0.00 O
ATOM 3579 N ASP A 232 12.908 -0.224 9.043 1.00 0.00 N
ATOM 3580 H ASP A 232 12.303 0.575 9.166 1.00 0.00 H
ATOM 3581 CA ASP A 232 13.577 -0.392 7.738 1.00 0.00 C
ATOM 3582 HA ASP A 232 14.385 -1.118 7.834 1.00 0.00 H
ATOM 3583 CB ASP A 232 12.573 -1.014 6.730 1.00 0.00 C
ATOM 3584 HB1 ASP A 232 12.182 -1.948 7.135 1.00 0.00 H
ATOM 3585 HB2 ASP A 232 11.750 -0.320 6.561 1.00 0.00 H
ATOM 3586 CG ASP A 232 13.160 -1.344 5.353 1.00 0.00 C
ATOM 3587 OD1 ASP A 232 14.401 -1.261 5.195 1.00 0.00 O
ATOM 3588 OD2 ASP A 232 12.381 -1.681 4.437 1.00 0.00 O
ATOM 3589 C ASP A 232 14.137 0.905 7.159 1.00 0.00 C
ATOM 3590 O ASP A 232 13.400 1.686 6.558 1.00 0.00 O
ATOM 3591 N SER A 233 15.466 1.074 7.228 1.00 0.00 N
ATOM 3592 H SER A 233 16.039 0.386 7.695 1.00 0.00 H
ATOM 3593 CA SER A 233 16.146 2.244 6.643 1.00 0.00 C
ATOM 3594 HA SER A 233 15.702 3.158 7.036 1.00 0.00 H
ATOM 3595 CB SER A 233 17.607 2.291 7.114 1.00 0.00 C
ATOM 3596 HB1 SER A 233 18.101 3.161 6.682 1.00 0.00 H
ATOM 3597 HB2 SER A 233 17.636 2.360 8.202 1.00 0.00 H
ATOM 3598 OG SER A 233 18.293 1.107 6.699 1.00 0.00 O
ATOM 3599 HG SER A 233 18.850 1.308 5.944 1.00 0.00 H
ATOM 3600 C SER A 233 16.080 2.229 5.093 1.00 0.00 C
ATOM 3601 O SER A 233 16.362 3.255 4.469 1.00 0.00 O
ATOM 3602 N GLY A 234 15.717 1.080 4.508 1.00 0.00 N
ATOM 3603 H GLY A 234 15.519 0.266 5.073 1.00 0.00 H
ATOM 3604 CA GLY A 234 15.578 0.900 3.060 1.00 0.00 C
ATOM 3605 HA1 GLY A 234 16.279 1.556 2.543 1.00 0.00 H
ATOM 3606 HA2 GLY A 234 15.793 -0.137 2.800 1.00 0.00 H
ATOM 3607 C GLY A 234 14.201 1.212 2.506 1.00 0.00 C
ATOM 3608 O GLY A 234 13.947 0.984 1.327 1.00 0.00 O
ATOM 3609 N THR A 235 13.295 1.723 3.359 1.00 0.00 N
ATOM 3610 H THR A 235 13.518 1.812 4.340 1.00 0.00 H
ATOM 3611 CA THR A 235 11.961 2.177 2.961 1.00 0.00 C
ATOM 3612 HA THR A 235 11.805 1.966 1.904 1.00 0.00 H
ATOM 3613 CB THR A 235 10.861 1.431 3.744 1.00 0.00 C
ATOM 3614 HB THR A 235 11.125 1.399 4.801 1.00 0.00 H
ATOM 3615 CG2 THR A 235 9.475 2.076 3.576 1.00 0.00 C
ATOM 3616 1HG2 THR A 235 8.740 1.510 4.148 1.00 0.00 H
ATOM 3617 2HG2 THR A 235 9.506 3.103 3.939 1.00 0.00 H
ATOM 3618 3HG2 THR A 235 9.197 2.071 2.522 1.00 0.00 H
ATOM 3619 OG1 THR A 235 10.786 0.103 3.239 1.00 0.00 O
ATOM 3620 HG1 THR A 235 11.632 -0.334 3.359 1.00 0.00 H
ATOM 3621 C THR A 235 11.928 3.688 3.259 1.00 0.00 C
ATOM 3622 O THR A 235 12.375 4.105 4.318 1.00 0.00 O
ATOM 3623 N THR A 236 11.378 4.487 2.346 1.00 0.00 N
ATOM 3624 H THR A 236 11.006 4.097 1.492 1.00 0.00 H
ATOM 3625 CA THR A 236 11.307 5.940 2.569 1.00 0.00 C
ATOM 3626 HA THR A 236 12.274 6.303 2.918 1.00 0.00 H
ATOM 3627 CB THR A 236 10.991 6.648 1.235 1.00 0.00 C
ATOM 3628 HB THR A 236 10.060 6.256 0.827 1.00 0.00 H
ATOM 3629 CG2 THR A 236 10.751 8.162 1.424 1.00 0.00 C
ATOM 3630 1HG2 THR A 236 10.532 8.618 0.459 1.00 0.00 H
ATOM 3631 2HG2 THR A 236 9.907 8.315 2.097 1.00 0.00 H
ATOM 3632 3HG2 THR A 236 11.643 8.621 1.849 1.00 0.00 H
ATOM 3633 OG1 THR A 236 12.083 6.433 0.343 1.00 0.00 O
ATOM 3634 HG1 THR A 236 12.731 7.132 0.455 1.00 0.00 H
ATOM 3635 C THR A 236 10.228 6.309 3.604 1.00 0.00 C
ATOM 3636 O THR A 236 10.497 7.047 4.547 1.00 0.00 O
ATOM 3637 N ASN A 237 8.985 5.829 3.376 1.00 0.00 N
ATOM 3638 H ASN A 237 8.830 5.158 2.637 1.00 0.00 H
ATOM 3639 CA ASN A 237 7.829 6.220 4.141 1.00 0.00 C
ATOM 3640 HA ASN A 237 7.891 7.282 4.377 1.00 0.00 H
ATOM 3641 CB ASN A 237 6.578 6.038 3.257 1.00 0.00 C
ATOM 3642 HB1 ASN A 237 6.588 5.042 2.813 1.00 0.00 H
ATOM 3643 HB2 ASN A 237 5.682 6.154 3.867 1.00 0.00 H
ATOM 3644 CG ASN A 237 6.486 7.036 2.125 1.00 0.00 C
ATOM 3645 OD1 ASN A 237 7.319 7.924 1.978 1.00 0.00 O
ATOM 3646 ND2 ASN A 237 5.458 6.917 1.317 1.00 0.00 N
ATOM 3647 1HD2 ASN A 237 4.779 6.186 1.469 1.00 0.00 H
ATOM 3648 2HD2 ASN A 237 5.347 7.557 0.544 1.00 0.00 H
ATOM 3649 C ASN A 237 7.582 5.507 5.421 1.00 0.00 C
ATOM 3650 O ASN A 237 8.164 4.469 5.686 1.00 0.00 O
ATOM 3651 N LEU A 238 6.657 6.077 6.226 1.00 0.00 N
ATOM 3652 H LEU A 238 6.372 7.033 6.069 1.00 0.00 H
ATOM 3653 CA LEU A 238 6.057 5.351 7.320 1.00 0.00 C
ATOM 3654 HA LEU A 238 6.777 4.638 7.722 1.00 0.00 H
ATOM 3655 CB LEU A 238 5.419 6.291 8.364 1.00 0.00 C
ATOM 3656 HB1 LEU A 238 6.203 6.761 8.959 1.00 0.00 H
ATOM 3657 HB2 LEU A 238 4.840 7.062 7.855 1.00 0.00 H
ATOM 3658 CG LEU A 238 4.458 5.614 9.367 1.00 0.00 C
ATOM 3659 HG LEU A 238 3.546 5.315 8.851 1.00 0.00 H
ATOM 3660 CD1 LEU A 238 5.152 4.422 10.111 1.00 0.00 C
ATOM 3661 1HD1 LEU A 238 4.448 3.969 10.808 1.00 0.00 H
ATOM 3662 2HD1 LEU A 238 5.474 3.677 9.384 1.00 0.00 H
ATOM 3663 3HD1 LEU A 238 6.019 4.791 10.660 1.00 0.00 H
ATOM 3664 CD2 LEU A 238 3.868 6.641 10.355 1.00 0.00 C
ATOM 3665 1HD2 LEU A 238 3.196 6.134 11.047 1.00 0.00 H
ATOM 3666 2HD2 LEU A 238 4.676 7.114 10.913 1.00 0.00 H
ATOM 3667 3HD2 LEU A 238 3.315 7.400 9.802 1.00 0.00 H
ATOM 3668 C LEU A 238 4.941 4.610 6.544 1.00 0.00 C
ATOM 3669 O LEU A 238 4.064 5.262 5.942 1.00 0.00 O
ATOM 3670 N ARG A 239 4.995 3.273 6.506 1.00 0.00 N
ATOM 3671 H ARG A 239 5.749 2.784 6.967 1.00 0.00 H
ATOM 3672 CA ARG A 239 3.961 2.495 5.794 1.00 0.00 C
ATOM 3673 HA ARG A 239 3.412 3.151 5.119 1.00 0.00 H
ATOM 3674 CB ARG A 239 4.586 1.496 4.784 1.00 0.00 C
ATOM 3675 HB1 ARG A 239 5.220 0.788 5.318 1.00 0.00 H
ATOM 3676 HB2 ARG A 239 3.792 0.955 4.269 1.00 0.00 H
ATOM 3677 CG ARG A 239 5.447 2.229 3.728 1.00 0.00 C
ATOM 3678 HG1 ARG A 239 4.852 3.007 3.250 1.00 0.00 H
ATOM 3679 HG2 ARG A 239 6.312 2.681 4.214 1.00 0.00 H
ATOM 3680 CD ARG A 239 5.968 1.321 2.632 1.00 0.00 C
ATOM 3681 HD1 ARG A 239 6.643 1.881 1.985 1.00 0.00 H
ATOM 3682 HD2 ARG A 239 6.505 0.483 3.078 1.00 0.00 H
ATOM 3683 NE ARG A 239 4.875 0.785 1.809 1.00 0.00 N
ATOM 3684 HE ARG A 239 4.175 1.455 1.526 1.00 0.00 H
ATOM 3685 CZ ARG A 239 4.769 -0.485 1.436 1.00 0.00 C
ATOM 3686 NH1 ARG A 239 3.739 -0.882 0.699 1.00 0.00 N
ATOM 3687 1HH1 ARG A 239 3.032 -0.216 0.419 1.00 0.00 H
ATOM 3688 2HH1 ARG A 239 3.661 -1.848 0.417 1.00 0.00 H
ATOM 3689 NH2 ARG A 239 5.685 -1.373 1.805 1.00 0.00 N
ATOM 3690 1HH2 ARG A 239 6.468 -1.085 2.372 1.00 0.00 H
ATOM 3691 2HH2 ARG A 239 5.597 -2.338 1.518 1.00 0.00 H
ATOM 3692 C ARG A 239 3.086 1.809 6.803 1.00 0.00 C
ATOM 3693 O ARG A 239 3.591 1.247 7.768 1.00 0.00 O
ATOM 3694 N LEU A 240 1.765 1.915 6.617 1.00 0.00 N
ATOM 3695 H LEU A 240 1.406 2.399 5.807 1.00 0.00 H
ATOM 3696 CA LEU A 240 0.809 1.348 7.556 1.00 0.00 C
ATOM 3697 HA LEU A 240 1.343 0.890 8.388 1.00 0.00 H
ATOM 3698 CB LEU A 240 -0.029 2.470 8.185 1.00 0.00 C
ATOM 3699 HB1 LEU A 240 -0.575 2.998 7.403 1.00 0.00 H
ATOM 3700 HB2 LEU A 240 -0.736 2.041 8.895 1.00 0.00 H
ATOM 3701 CG LEU A 240 0.750 3.554 8.964 1.00 0.00 C
ATOM 3702 HG LEU A 240 1.625 3.857 8.390 1.00 0.00 H
ATOM 3703 CD1 LEU A 240 -0.174 4.757 9.296 1.00 0.00 C
ATOM 3704 1HD1 LEU A 240 0.392 5.510 9.844 1.00 0.00 H
ATOM 3705 2HD1 LEU A 240 -0.552 5.191 8.370 1.00 0.00 H
ATOM 3706 3HD1 LEU A 240 -1.010 4.416 9.906 1.00 0.00 H
ATOM 3707 CD2 LEU A 240 1.370 2.974 10.219 1.00 0.00 C
ATOM 3708 1HD2 LEU A 240 1.913 3.755 10.751 1.00 0.00 H
ATOM 3709 2HD2 LEU A 240 0.585 2.575 10.862 1.00 0.00 H
ATOM 3710 3HD2 LEU A 240 2.058 2.174 9.948 1.00 0.00 H
ATOM 3711 C LEU A 240 -0.106 0.331 6.916 1.00 0.00 C
ATOM 3712 O LEU A 240 -0.485 0.526 5.771 1.00 0.00 O
ATOM 3713 N PRO A 241 -0.551 -0.710 7.662 1.00 0.00 N
ATOM 3714 CD PRO A 241 -0.247 -1.031 9.072 1.00 0.00 C
ATOM 3715 HD1 PRO A 241 -0.810 -0.365 9.727 1.00 0.00 H
ATOM 3716 HD2 PRO A 241 0.820 -0.900 9.253 1.00 0.00 H
ATOM 3717 CG PRO A 241 -0.682 -2.479 9.211 1.00 0.00 C
ATOM 3718 HG1 PRO A 241 -0.997 -2.724 10.225 1.00 0.00 H
ATOM 3719 HG2 PRO A 241 0.091 -3.178 8.892 1.00 0.00 H
ATOM 3720 CB PRO A 241 -1.866 -2.578 8.278 1.00 0.00 C
ATOM 3721 HB1 PRO A 241 -2.780 -2.217 8.750 1.00 0.00 H
ATOM 3722 HB2 PRO A 241 -2.017 -3.598 7.926 1.00 0.00 H
ATOM 3723 CA PRO A 241 -1.512 -1.674 7.091 1.00 0.00 C
ATOM 3724 HA PRO A 241 -1.073 -2.147 6.213 1.00 0.00 H
ATOM 3725 C PRO A 241 -2.750 -0.922 6.625 1.00 0.00 C
ATOM 3726 O PRO A 241 -3.119 0.075 7.250 1.00 0.00 O
ATOM 3727 N LYS A 242 -3.335 -1.356 5.503 1.00 0.00 N
ATOM 3728 H LYS A 242 -2.972 -2.169 5.025 1.00 0.00 H
ATOM 3729 CA LYS A 242 -4.508 -0.725 4.885 1.00 0.00 C
ATOM 3730 HA LYS A 242 -4.181 0.003 4.143 1.00 0.00 H
ATOM 3731 CB LYS A 242 -5.264 -1.739 3.981 1.00 0.00 C
ATOM 3732 HB1 LYS A 242 -4.558 -2.216 3.301 1.00 0.00 H
ATOM 3733 HB2 LYS A 242 -5.738 -2.498 4.603 1.00 0.00 H
ATOM 3734 CG LYS A 242 -6.357 -1.061 3.137 1.00 0.00 C
ATOM 3735 HG1 LYS A 242 -7.189 -0.775 3.780 1.00 0.00 H
ATOM 3736 HG2 LYS A 242 -5.947 -0.172 2.657 1.00 0.00 H
ATOM 3737 CD LYS A 242 -6.882 -1.992 2.056 1.00 0.00 C
ATOM 3738 HD1 LYS A 242 -6.052 -2.346 1.446 1.00 0.00 H
ATOM 3739 HD2 LYS A 242 -7.380 -2.843 2.520 1.00 0.00 H
ATOM 3740 CE LYS A 242 -7.873 -1.311 1.146 1.00 0.00 C
ATOM 3741 HE1 LYS A 242 -7.466 -0.357 0.812 1.00 0.00 H
ATOM 3742 HE2 LYS A 242 -8.067 -1.945 0.280 1.00 0.00 H
ATOM 3743 NZ LYS A 242 -9.165 -1.052 1.833 1.00 0.00 N
ATOM 3744 HZ1 LYS A 242 -9.115 -0.171 2.323 1.00 0.00 H
ATOM 3745 HZ2 LYS A 242 -9.908 -1.016 1.150 1.00 0.00 H
ATOM 3746 HZ3 LYS A 242 -9.350 -1.794 2.492 1.00 0.00 H
ATOM 3747 C LYS A 242 -5.487 -0.082 5.865 1.00 0.00 C
ATOM 3748 O LYS A 242 -5.743 1.110 5.760 1.00 0.00 O
ATOM 3749 N LYS A 243 -6.064 -0.862 6.798 1.00 0.00 N
ATOM 3750 H LYS A 243 -5.808 -1.836 6.872 1.00 0.00 H
ATOM 3751 CA LYS A 243 -7.075 -0.305 7.722 1.00 0.00 C
ATOM 3752 HA LYS A 243 -7.917 0.083 7.148 1.00 0.00 H
ATOM 3753 CB LYS A 243 -7.751 -1.405 8.553 1.00 0.00 C
ATOM 3754 HB1 LYS A 243 -7.017 -1.860 9.218 1.00 0.00 H
ATOM 3755 HB2 LYS A 243 -8.557 -0.970 9.145 1.00 0.00 H
ATOM 3756 CG LYS A 243 -8.365 -2.533 7.744 1.00 0.00 C
ATOM 3757 HG1 LYS A 243 -7.573 -3.145 7.312 1.00 0.00 H
ATOM 3758 HG2 LYS A 243 -8.987 -3.150 8.393 1.00 0.00 H
ATOM 3759 CD LYS A 243 -9.246 -2.055 6.593 1.00 0.00 C
ATOM 3760 HD1 LYS A 243 -10.273 -2.376 6.764 1.00 0.00 H
ATOM 3761 HD2 LYS A 243 -9.210 -0.967 6.535 1.00 0.00 H
ATOM 3762 CE LYS A 243 -8.755 -2.638 5.286 1.00 0.00 C
ATOM 3763 HE1 LYS A 243 -9.290 -2.174 4.458 1.00 0.00 H
ATOM 3764 HE2 LYS A 243 -7.687 -2.448 5.181 1.00 0.00 H
ATOM 3765 NZ LYS A 243 -8.966 -4.114 5.194 1.00 0.00 N
ATOM 3766 HZ1 LYS A 243 -9.952 -4.319 5.272 1.00 0.00 H
ATOM 3767 HZ2 LYS A 243 -8.622 -4.449 4.305 1.00 0.00 H
ATOM 3768 HZ3 LYS A 243 -8.467 -4.573 5.942 1.00 0.00 H
ATOM 3769 C LYS A 243 -6.534 0.754 8.646 1.00 0.00 C
ATOM 3770 O LYS A 243 -7.240 1.708 8.963 1.00 0.00 O
ATOM 3771 N VAL A 244 -5.290 0.570 9.095 1.00 0.00 N
ATOM 3772 H VAL A 244 -4.773 -0.255 8.827 1.00 0.00 H
ATOM 3773 CA VAL A 244 -4.611 1.524 9.981 1.00 0.00 C
ATOM 3774 HA VAL A 244 -5.208 1.674 10.881 1.00 0.00 H
ATOM 3775 CB VAL A 244 -3.308 0.920 10.573 1.00 0.00 C
ATOM 3776 HB VAL A 244 -2.639 0.633 9.762 1.00 0.00 H
ATOM 3777 CG1 VAL A 244 -2.618 1.917 11.517 1.00 0.00 C
ATOM 3778 1HG1 VAL A 244 -1.709 1.470 11.917 1.00 0.00 H
ATOM 3779 2HG1 VAL A 244 -2.365 2.823 10.966 1.00 0.00 H
ATOM 3780 3HG1 VAL A 244 -3.291 2.168 12.337 1.00 0.00 H
ATOM 3781 CG2 VAL A 244 -3.625 -0.383 11.314 1.00 0.00 C
ATOM 3782 1HG2 VAL A 244 -2.706 -0.800 11.726 1.00 0.00 H
ATOM 3783 2HG2 VAL A 244 -4.326 -0.179 12.124 1.00 0.00 H
ATOM 3784 3HG2 VAL A 244 -4.069 -1.097 10.621 1.00 0.00 H
ATOM 3785 C VAL A 244 -4.358 2.806 9.199 1.00 0.00 C
ATOM 3786 O VAL A 244 -4.642 3.898 9.700 1.00 0.00 O
ATOM 3787 N PHE A 245 -3.876 2.671 7.949 1.00 0.00 N
ATOM 3788 H PHE A 245 -3.670 1.752 7.584 1.00 0.00 H
ATOM 3789 CA PHE A 245 -3.631 3.825 7.074 1.00 0.00 C
ATOM 3790 HA PHE A 245 -2.856 4.454 7.511 1.00 0.00 H
ATOM 3791 CB PHE A 245 -3.144 3.356 5.699 1.00 0.00 C
ATOM 3792 HB1 PHE A 245 -2.187 2.845 5.806 1.00 0.00 H
ATOM 3793 HB2 PHE A 245 -3.875 2.671 5.269 1.00 0.00 H
ATOM 3794 CG PHE A 245 -2.963 4.516 4.754 1.00 0.00 C
ATOM 3795 CD1 PHE A 245 -1.884 5.388 4.897 1.00 0.00 C
ATOM 3796 HD1 PHE A 245 -1.149 5.216 5.670 1.00 0.00 H
ATOM 3797 CE1 PHE A 245 -1.736 6.489 4.051 1.00 0.00 C
ATOM 3798 HE1 PHE A 245 -0.890 7.150 4.167 1.00 0.00 H
ATOM 3799 CZ PHE A 245 -2.672 6.733 3.065 1.00 0.00 C
ATOM 3800 HZ PHE A 245 -2.560 7.587 2.414 1.00 0.00 H
ATOM 3801 CE2 PHE A 245 -3.758 5.878 2.908 1.00 0.00 C
ATOM 3802 HE2 PHE A 245 -4.486 6.061 2.132 1.00 0.00 H
ATOM 3803 CD2 PHE A 245 -3.905 4.778 3.760 1.00 0.00 C
ATOM 3804 HD2 PHE A 245 -4.760 4.129 3.640 1.00 0.00 H
ATOM 3805 C PHE A 245 -4.934 4.631 6.912 1.00 0.00 C
ATOM 3806 O PHE A 245 -4.942 5.852 7.043 1.00 0.00 O
ATOM 3807 N GLU A 246 -6.042 3.937 6.600 1.00 0.00 N
ATOM 3808 H GLU A 246 -5.996 2.933 6.496 1.00 0.00 H
ATOM 3809 CA GLU A 246 -7.327 4.612 6.404 1.00 0.00 C
ATOM 3810 HA GLU A 246 -7.274 5.248 5.521 1.00 0.00 H
ATOM 3811 CB GLU A 246 -8.389 3.614 5.907 1.00 0.00 C
ATOM 3812 HB1 GLU A 246 -8.361 2.716 6.524 1.00 0.00 H
ATOM 3813 HB2 GLU A 246 -9.376 4.070 5.975 1.00 0.00 H
ATOM 3814 CG GLU A 246 -8.152 3.204 4.456 1.00 0.00 C
ATOM 3815 HG1 GLU A 246 -8.390 4.039 3.798 1.00 0.00 H
ATOM 3816 HG2 GLU A 246 -7.106 2.924 4.323 1.00 0.00 H
ATOM 3817 CD GLU A 246 -8.983 2.028 3.992 1.00 0.00 C
ATOM 3818 OE1 GLU A 246 -8.841 1.633 2.817 1.00 0.00 O
ATOM 3819 OE2 GLU A 246 -9.763 1.488 4.800 1.00 0.00 O
ATOM 3820 C GLU A 246 -7.765 5.365 7.670 1.00 0.00 C
ATOM 3821 O GLU A 246 -8.181 6.515 7.565 1.00 0.00 O
ATOM 3822 N ALA A 247 -7.600 4.756 8.864 1.00 0.00 N
ATOM 3823 H ALA A 247 -7.213 3.824 8.907 1.00 0.00 H
ATOM 3824 CA ALA A 247 -7.969 5.405 10.144 1.00 0.00 C
ATOM 3825 HA ALA A 247 -8.999 5.758 10.090 1.00 0.00 H
ATOM 3826 CB ALA A 247 -7.947 4.380 11.288 1.00 0.00 C
ATOM 3827 HB1 ALA A 247 -8.220 4.871 12.222 1.00 0.00 H
ATOM 3828 HB2 ALA A 247 -8.659 3.582 11.076 1.00 0.00 H
ATOM 3829 HB3 ALA A 247 -6.946 3.958 11.379 1.00 0.00 H
ATOM 3830 C ALA A 247 -7.028 6.573 10.477 1.00 0.00 C
ATOM 3831 O ALA A 247 -7.487 7.647 10.898 1.00 0.00 O
ATOM 3832 N ALA A 248 -5.715 6.380 10.254 1.00 0.00 N
ATOM 3833 H ALA A 248 -5.390 5.496 9.889 1.00 0.00 H
ATOM 3834 CA ALA A 248 -4.722 7.432 10.527 1.00 0.00 C
ATOM 3835 HA ALA A 248 -4.791 7.736 11.571 1.00 0.00 H
ATOM 3836 CB ALA A 248 -3.318 6.886 10.353 1.00 0.00 C
ATOM 3837 HB1 ALA A 248 -2.593 7.674 10.558 1.00 0.00 H
ATOM 3838 HB2 ALA A 248 -3.161 6.059 11.047 1.00 0.00 H
ATOM 3839 HB3 ALA A 248 -3.189 6.531 9.331 1.00 0.00 H
ATOM 3840 C ALA A 248 -4.940 8.637 9.597 1.00 0.00 C
ATOM 3841 O ALA A 248 -4.940 9.769 10.069 1.00 0.00 O
ATOM 3842 N VAL A 249 -5.113 8.409 8.283 1.00 0.00 N
ATOM 3843 H VAL A 249 -5.072 7.465 7.925 1.00 0.00 H
ATOM 3844 CA VAL A 249 -5.365 9.520 7.327 1.00 0.00 C
ATOM 3845 HA VAL A 249 -4.467 10.133 7.236 1.00 0.00 H
ATOM 3846 CB VAL A 249 -5.364 9.022 5.852 1.00 0.00 C
ATOM 3847 HB VAL A 249 -5.902 8.076 5.788 1.00 0.00 H
ATOM 3848 CG1 VAL A 249 -5.997 10.038 4.905 1.00 0.00 C
ATOM 3849 1HG1 VAL A 249 -5.976 9.649 3.887 1.00 0.00 H
ATOM 3850 2HG1 VAL A 249 -7.030 10.219 5.202 1.00 0.00 H
ATOM 3851 3HG1 VAL A 249 -5.438 10.973 4.948 1.00 0.00 H
ATOM 3852 CG2 VAL A 249 -3.945 8.737 5.422 1.00 0.00 C
ATOM 3853 1HG2 VAL A 249 -3.941 8.388 4.390 1.00 0.00 H
ATOM 3854 2HG2 VAL A 249 -3.352 9.649 5.499 1.00 0.00 H
ATOM 3855 3HG2 VAL A 249 -3.516 7.970 6.067 1.00 0.00 H
ATOM 3856 C VAL A 249 -6.629 10.312 7.685 1.00 0.00 C
ATOM 3857 O VAL A 249 -6.627 11.546 7.631 1.00 0.00 O
ATOM 3858 N LYS A 250 -7.703 9.613 8.061 1.00 0.00 N
ATOM 3859 H LYS A 250 -7.677 8.603 8.054 1.00 0.00 H
ATOM 3860 CA LYS A 250 -8.938 10.306 8.491 1.00 0.00 C
ATOM 3861 HA LYS A 250 -9.321 10.911 7.668 1.00 0.00 H
ATOM 3862 CB LYS A 250 -10.033 9.273 8.840 1.00 0.00 C
ATOM 3863 HB1 LYS A 250 -10.331 8.741 7.937 1.00 0.00 H
ATOM 3864 HB2 LYS A 250 -9.643 8.562 9.568 1.00 0.00 H
ATOM 3865 CG LYS A 250 -11.280 9.916 9.437 1.00 0.00 C
ATOM 3866 HG1 LYS A 250 -11.033 10.365 10.399 1.00 0.00 H
ATOM 3867 HG2 LYS A 250 -11.651 10.688 8.761 1.00 0.00 H
ATOM 3868 CD LYS A 250 -12.401 8.891 9.658 1.00 0.00 C
ATOM 3869 HD1 LYS A 250 -11.979 7.973 10.066 1.00 0.00 H
ATOM 3870 HD2 LYS A 250 -13.132 9.297 10.357 1.00 0.00 H
ATOM 3871 CE LYS A 250 -13.109 8.557 8.367 1.00 0.00 C
ATOM 3872 HE1 LYS A 250 -12.390 8.166 7.648 1.00 0.00 H
ATOM 3873 HE2 LYS A 250 -13.877 7.807 8.557 1.00 0.00 H
ATOM 3874 NZ LYS A 250 -13.777 9.740 7.742 1.00 0.00 N
ATOM 3875 HZ1 LYS A 250 -14.443 10.133 8.391 1.00 0.00 H
ATOM 3876 HZ2 LYS A 250 -13.082 10.436 7.511 1.00 0.00 H
ATOM 3877 HZ3 LYS A 250 -14.256 9.451 6.901 1.00 0.00 H
ATOM 3878 C LYS A 250 -8.666 11.201 9.714 1.00 0.00 C
ATOM 3879 O LYS A 250 -9.143 12.347 9.762 1.00 0.00 O
ATOM 3880 N SER A 251 -7.900 10.680 10.701 1.00 0.00 N
ATOM 3881 H SER A 251 -7.538 9.741 10.617 1.00 0.00 H
ATOM 3882 CA SER A 251 -7.582 11.454 11.902 1.00 0.00 C
ATOM 3883 HA SER A 251 -8.505 11.797 12.369 1.00 0.00 H
ATOM 3884 CB SER A 251 -7.024 10.540 12.998 1.00 0.00 C
ATOM 3885 HB1 SER A 251 -7.780 9.806 13.278 1.00 0.00 H
ATOM 3886 HB2 SER A 251 -6.138 10.025 12.627 1.00 0.00 H
ATOM 3887 OG SER A 251 -6.681 11.329 14.130 1.00 0.00 O
ATOM 3888 HG SER A 251 -6.017 11.976 13.881 1.00 0.00 H
ATOM 3889 C SER A 251 -6.614 12.625 11.590 1.00 0.00 C
ATOM 3890 O SER A 251 -6.756 13.713 12.152 1.00 0.00 O
ATOM 3891 N ILE A 252 -5.638 12.406 10.687 1.00 0.00 N
ATOM 3892 H ILE A 252 -5.542 11.497 10.257 1.00 0.00 H
ATOM 3893 CA ILE A 252 -4.690 13.474 10.304 1.00 0.00 C
ATOM 3894 HA ILE A 252 -4.160 13.825 11.189 1.00 0.00 H
ATOM 3895 CB ILE A 252 -3.430 12.930 9.561 1.00 0.00 C
ATOM 3896 HB ILE A 252 -3.741 12.384 8.670 1.00 0.00 H
ATOM 3897 CG2 ILE A 252 -2.518 14.088 9.054 1.00 0.00 C
ATOM 3898 1HG2 ILE A 252 -1.651 13.671 8.541 1.00 0.00 H
ATOM 3899 2HG2 ILE A 252 -3.080 14.717 8.363 1.00 0.00 H
ATOM 3900 3HG2 ILE A 252 -2.185 14.686 9.901 1.00 0.00 H
ATOM 3901 CG1 ILE A 252 -2.621 12.013 10.502 1.00 0.00 C
ATOM 3902 1HG1 ILE A 252 -2.023 12.623 11.180 1.00 0.00 H
ATOM 3903 2HG1 ILE A 252 -3.304 11.391 11.081 1.00 0.00 H
ATOM 3904 CD ILE A 252 -1.601 11.018 9.700 1.00 0.00 C
ATOM 3905 HD1 ILE A 252 -1.060 10.398 10.415 1.00 0.00 H
ATOM 3906 HD2 ILE A 252 -2.171 10.380 9.025 1.00 0.00 H
ATOM 3907 HD3 ILE A 252 -0.891 11.612 9.124 1.00 0.00 H
ATOM 3908 C ILE A 252 -5.431 14.566 9.513 1.00 0.00 C
ATOM 3909 O ILE A 252 -5.187 15.751 9.742 1.00 0.00 O
ATOM 3910 N LYS A 253 -6.354 14.169 8.626 1.00 0.00 N
ATOM 3911 H LYS A 253 -6.487 13.185 8.442 1.00 0.00 H
ATOM 3912 CA LYS A 253 -7.202 15.140 7.892 1.00 0.00 C
ATOM 3913 HA LYS A 253 -6.567 15.827 7.332 1.00 0.00 H
ATOM 3914 CB LYS A 253 -8.155 14.408 6.936 1.00 0.00 C
ATOM 3915 HB1 LYS A 253 -8.564 13.528 7.433 1.00 0.00 H
ATOM 3916 HB2 LYS A 253 -8.970 15.075 6.652 1.00 0.00 H
ATOM 3917 CG LYS A 253 -7.501 13.929 5.646 1.00 0.00 C
ATOM 3918 HG1 LYS A 253 -7.228 14.789 5.035 1.00 0.00 H
ATOM 3919 HG2 LYS A 253 -6.606 13.354 5.884 1.00 0.00 H
ATOM 3920 CD LYS A 253 -8.523 13.049 4.906 1.00 0.00 C
ATOM 3921 HD1 LYS A 253 -8.709 12.143 5.484 1.00 0.00 H
ATOM 3922 HD2 LYS A 253 -9.456 13.599 4.784 1.00 0.00 H
ATOM 3923 CE LYS A 253 -8.071 12.624 3.541 1.00 0.00 C
ATOM 3924 HE1 LYS A 253 -7.809 13.505 2.954 1.00 0.00 H
ATOM 3925 HE2 LYS A 253 -7.199 11.976 3.631 1.00 0.00 H
ATOM 3926 NZ LYS A 253 -9.153 11.883 2.843 1.00 0.00 N
ATOM 3927 HZ1 LYS A 253 -10.032 12.360 2.982 1.00 0.00 H
ATOM 3928 HZ2 LYS A 253 -8.947 11.838 1.855 1.00 0.00 H
ATOM 3929 HZ3 LYS A 253 -9.215 10.947 3.216 1.00 0.00 H
ATOM 3930 C LYS A 253 -8.052 15.953 8.884 1.00 0.00 C
ATOM 3931 O LYS A 253 -8.122 17.187 8.781 1.00 0.00 O
ATOM 3932 N ALA A 254 -8.696 15.272 9.844 1.00 0.00 N
ATOM 3933 H ALA A 254 -8.616 14.266 9.889 1.00 0.00 H
ATOM 3934 CA ALA A 254 -9.524 15.974 10.842 1.00 0.00 C
ATOM 3935 HA ALA A 254 -10.358 16.465 10.342 1.00 0.00 H
ATOM 3936 CB ALA A 254 -10.245 14.968 11.760 1.00 0.00 C
ATOM 3937 HB1 ALA A 254 -10.849 15.508 12.488 1.00 0.00 H
ATOM 3938 HB2 ALA A 254 -10.888 14.325 11.160 1.00 0.00 H
ATOM 3939 HB3 ALA A 254 -9.507 14.358 12.282 1.00 0.00 H
ATOM 3940 C ALA A 254 -8.685 16.960 11.655 1.00 0.00 C
ATOM 3941 O ALA A 254 -9.107 18.100 11.846 1.00 0.00 O
ATOM 3942 N ALA A 255 -7.450 16.579 12.053 1.00 0.00 N
ATOM 3943 H ALA A 255 -7.102 15.662 11.811 1.00 0.00 H
ATOM 3944 CA ALA A 255 -6.612 17.505 12.841 1.00 0.00 C
ATOM 3945 HA ALA A 255 -7.165 17.838 13.719 1.00 0.00 H
ATOM 3946 CB ALA A 255 -5.387 16.766 13.388 1.00 0.00 C
ATOM 3947 HB1 ALA A 255 -4.775 17.457 13.968 1.00 0.00 H
ATOM 3948 HB2 ALA A 255 -5.713 15.945 14.028 1.00 0.00 H
ATOM 3949 HB3 ALA A 255 -4.801 16.369 12.560 1.00 0.00 H
ATOM 3950 C ALA A 255 -6.150 18.728 12.020 1.00 0.00 C
ATOM 3951 O ALA A 255 -6.030 19.837 12.563 1.00 0.00 O
ATOM 3952 N SER A 256 -5.917 18.530 10.705 1.00 0.00 N
ATOM 3953 H SER A 256 -6.088 17.624 10.293 1.00 0.00 H
ATOM 3954 CA SER A 256 -5.415 19.587 9.811 1.00 0.00 C
ATOM 3955 HA SER A 256 -4.914 20.355 10.400 1.00 0.00 H
ATOM 3956 CB SER A 256 -4.389 18.990 8.845 1.00 0.00 C
ATOM 3957 HB1 SER A 256 -4.015 19.770 8.183 1.00 0.00 H
ATOM 3958 HB2 SER A 256 -3.560 18.566 9.412 1.00 0.00 H
ATOM 3959 OG SER A 256 -4.961 17.954 8.042 1.00 0.00 O
ATOM 3960 HG SER A 256 -5.067 17.159 8.570 1.00 0.00 H
ATOM 3961 C SER A 256 -6.549 20.235 9.003 1.00 0.00 C
ATOM 3962 O SER A 256 -6.258 20.928 8.019 1.00 0.00 O
ATOM 3963 N SER A 257 -7.818 20.045 9.444 1.00 0.00 N
ATOM 3964 H SER A 257 -7.982 19.600 10.335 1.00 0.00 H
ATOM 3965 CA SER A 257 -9.014 20.454 8.691 1.00 0.00 C
ATOM 3966 HA SER A 257 -9.142 19.801 7.828 1.00 0.00 H
ATOM 3967 CB SER A 257 -10.313 19.911 9.306 1.00 0.00 C
ATOM 3968 HB1 SER A 257 -11.136 20.060 8.608 1.00 0.00 H
ATOM 3969 HB2 SER A 257 -10.200 18.847 9.513 1.00 0.00 H
ATOM 3970 OG SER A 257 -10.571 20.612 10.512 1.00 0.00 O
ATOM 3971 HG SER A 257 -10.232 20.107 11.255 1.00 0.00 H
ATOM 3972 C SER A 257 -9.137 21.921 8.357 1.00 0.00 C
ATOM 3973 O SER A 257 -9.945 22.249 7.481 1.00 0.00 O
ATOM 3974 N THR A 258 -8.331 22.799 8.995 1.00 0.00 N
ATOM 3975 H THR A 258 -7.694 22.474 9.709 1.00 0.00 H
ATOM 3976 CA THR A 258 -8.376 24.233 8.654 1.00 0.00 C
ATOM 3977 HA THR A 258 -9.374 24.623 8.853 1.00 0.00 H
ATOM 3978 CB THR A 258 -7.708 25.113 9.700 1.00 0.00 C
ATOM 3979 HB THR A 258 -7.829 26.160 9.425 1.00 0.00 H
ATOM 3980 CG2 THR A 258 -8.421 25.062 11.058 1.00 0.00 C
ATOM 3981 1HG2 THR A 258 -7.902 25.708 11.766 1.00 0.00 H
ATOM 3982 2HG2 THR A 258 -9.450 25.403 10.942 1.00 0.00 H
ATOM 3983 3HG2 THR A 258 -8.419 24.038 11.432 1.00 0.00 H
ATOM 3984 OG1 THR A 258 -6.345 24.724 9.818 1.00 0.00 O
ATOM 3985 HG1 THR A 258 -5.799 25.504 9.941 1.00 0.00 H
ATOM 3986 C THR A 258 -7.850 24.497 7.231 1.00 0.00 C
ATOM 3987 O THR A 258 -8.039 25.587 6.694 1.00 0.00 O
ATOM 3988 N GLU A 259 -7.167 23.516 6.633 1.00 0.00 N
ATOM 3989 H GLU A 259 -6.950 22.670 7.140 1.00 0.00 H
ATOM 3990 CA GLU A 259 -6.703 23.595 5.254 1.00 0.00 C
ATOM 3991 HA GLU A 259 -7.141 24.469 4.772 1.00 0.00 H
ATOM 3992 CB GLU A 259 -5.185 23.800 5.159 1.00 0.00 C
ATOM 3993 HB1 GLU A 259 -4.705 23.377 6.041 1.00 0.00 H
ATOM 3994 HB2 GLU A 259 -4.806 23.303 4.266 1.00 0.00 H
ATOM 3995 CG GLU A 259 -4.819 25.267 5.077 1.00 0.00 C
ATOM 3996 HG1 GLU A 259 -5.344 25.727 4.240 1.00 0.00 H
ATOM 3997 HG2 GLU A 259 -5.105 25.765 6.003 1.00 0.00 H
ATOM 3998 CD GLU A 259 -3.349 25.554 4.872 1.00 0.00 C
ATOM 3999 OE1 GLU A 259 -2.778 25.063 3.872 1.00 0.00 O
ATOM 4000 OE2 GLU A 259 -2.787 26.328 5.679 1.00 0.00 O
ATOM 4001 C GLU A 259 -7.107 22.308 4.562 1.00 0.00 C
ATOM 4002 O GLU A 259 -6.950 21.209 5.118 1.00 0.00 O
ATOM 4003 N LYS A 260 -7.646 22.449 3.360 1.00 0.00 N
ATOM 4004 H LYS A 260 -7.781 23.371 2.972 1.00 0.00 H
ATOM 4005 CA LYS A 260 -8.061 21.312 2.559 1.00 0.00 C
ATOM 4006 HA LYS A 260 -8.295 20.472 3.214 1.00 0.00 H
ATOM 4007 CB LYS A 260 -9.370 21.675 1.813 1.00 0.00 C
ATOM 4008 HB1 LYS A 260 -10.181 21.783 2.533 1.00 0.00 H
ATOM 4009 HB2 LYS A 260 -9.234 22.614 1.276 1.00 0.00 H
ATOM 4010 CG LYS A 260 -9.831 20.638 0.779 1.00 0.00 C
ATOM 4011 HG1 LYS A 260 -10.546 21.098 0.097 1.00 0.00 H
ATOM 4012 HG2 LYS A 260 -8.970 20.279 0.215 1.00 0.00 H
ATOM 4013 CD LYS A 260 -10.496 19.454 1.434 1.00 0.00 C
ATOM 4014 HD1 LYS A 260 -9.788 18.963 2.103 1.00 0.00 H
ATOM 4015 HD2 LYS A 260 -11.360 19.792 2.006 1.00 0.00 H
ATOM 4016 CE LYS A 260 -10.969 18.438 0.429 1.00 0.00 C
ATOM 4017 HE1 LYS A 260 -11.810 18.846 -0.132 1.00 0.00 H
ATOM 4018 HE2 LYS A 260 -10.157 18.199 -0.257 1.00 0.00 H
ATOM 4019 NZ LYS A 260 -11.407 17.191 1.107 1.00 0.00 N
ATOM 4020 HZ1 LYS A 260 -12.165 17.400 1.741 1.00 0.00 H
ATOM 4021 HZ2 LYS A 260 -11.720 16.524 0.416 1.00 0.00 H
ATOM 4022 HZ3 LYS A 260 -10.633 16.800 1.625 1.00 0.00 H
ATOM 4023 C LYS A 260 -6.960 20.929 1.571 1.00 0.00 C
ATOM 4024 O LYS A 260 -6.429 21.797 0.880 1.00 0.00 O
ATOM 4025 N PHE A 261 -6.610 19.639 1.510 1.00 0.00 N
ATOM 4026 H PHE A 261 -7.058 18.965 2.114 1.00 0.00 H
ATOM 4027 CA PHE A 261 -5.576 19.174 0.574 1.00 0.00 C
ATOM 4028 HA PHE A 261 -5.128 20.032 0.071 1.00 0.00 H
ATOM 4029 CB PHE A 261 -4.380 18.513 1.311 1.00 0.00 C
ATOM 4030 HB1 PHE A 261 -4.721 17.613 1.823 1.00 0.00 H
ATOM 4031 HB2 PHE A 261 -3.608 18.249 0.589 1.00 0.00 H
ATOM 4032 CG PHE A 261 -3.754 19.422 2.345 1.00 0.00 C
ATOM 4033 CD1 PHE A 261 -4.151 19.364 3.667 1.00 0.00 C
ATOM 4034 HD1 PHE A 261 -4.856 18.612 3.987 1.00 0.00 H
ATOM 4035 CE1 PHE A 261 -3.648 20.272 4.605 1.00 0.00 C
ATOM 4036 HE1 PHE A 261 -3.961 20.211 5.637 1.00 0.00 H
ATOM 4037 CZ PHE A 261 -2.755 21.243 4.216 1.00 0.00 C
ATOM 4038 HZ PHE A 261 -2.351 21.929 4.946 1.00 0.00 H
ATOM 4039 CE2 PHE A 261 -2.380 21.338 2.893 1.00 0.00 C
ATOM 4040 HE2 PHE A 261 -1.710 22.123 2.577 1.00 0.00 H
ATOM 4041 CD2 PHE A 261 -2.866 20.422 1.966 1.00 0.00 C
ATOM 4042 HD2 PHE A 261 -2.543 20.495 0.938 1.00 0.00 H
ATOM 4043 C PHE A 261 -6.205 18.207 -0.404 1.00 0.00 C
ATOM 4044 O PHE A 261 -7.108 17.474 -0.023 1.00 0.00 O
ATOM 4045 N PRO A 262 -5.749 18.178 -1.668 1.00 0.00 N
ATOM 4046 CD PRO A 262 -4.693 19.014 -2.283 1.00 0.00 C
ATOM 4047 HD1 PRO A 262 -3.792 18.968 -1.673 1.00 0.00 H
ATOM 4048 HD2 PRO A 262 -5.037 20.046 -2.346 1.00 0.00 H
ATOM 4049 CG PRO A 262 -4.500 18.396 -3.630 1.00 0.00 C
ATOM 4050 HG1 PRO A 262 -3.646 17.719 -3.608 1.00 0.00 H
ATOM 4051 HG2 PRO A 262 -4.327 19.174 -4.373 1.00 0.00 H
ATOM 4052 CB PRO A 262 -5.713 17.644 -3.980 1.00 0.00 C
ATOM 4053 HB1 PRO A 262 -5.470 16.745 -4.549 1.00 0.00 H
ATOM 4054 HB2 PRO A 262 -6.408 18.258 -4.552 1.00 0.00 H
ATOM 4055 CA PRO A 262 -6.357 17.248 -2.648 1.00 0.00 C
ATOM 4056 HA PRO A 262 -7.435 17.406 -2.680 1.00 0.00 H
ATOM 4057 C PRO A 262 -6.102 15.783 -2.326 1.00 0.00 C
ATOM 4058 O PRO A 262 -5.151 15.463 -1.616 1.00 0.00 O
ATOM 4059 N ASP A 263 -6.930 14.888 -2.870 1.00 0.00 N
ATOM 4060 H ASP A 263 -7.695 15.196 -3.453 1.00 0.00 H
ATOM 4061 CA ASP A 263 -6.765 13.457 -2.648 1.00 0.00 C
ATOM 4062 HA ASP A 263 -6.939 13.230 -1.596 1.00 0.00 H
ATOM 4063 CB ASP A 263 -7.840 12.654 -3.400 1.00 0.00 C
ATOM 4064 HB1 ASP A 263 -7.792 12.889 -4.464 1.00 0.00 H
ATOM 4065 HB2 ASP A 263 -7.666 11.588 -3.256 1.00 0.00 H
ATOM 4066 CG ASP A 263 -9.263 12.923 -2.963 1.00 0.00 C
ATOM 4067 OD1 ASP A 263 -9.456 13.434 -1.830 1.00 0.00 O
ATOM 4068 OD2 ASP A 263 -10.178 12.612 -3.737 1.00 0.00 O
ATOM 4069 C ASP A 263 -5.375 12.965 -3.073 1.00 0.00 C
ATOM 4070 O ASP A 263 -4.845 12.074 -2.426 1.00 0.00 O
ATOM 4071 N GLY A 264 -4.811 13.556 -4.133 1.00 0.00 N
ATOM 4072 H GLY A 264 -5.304 14.289 -4.624 1.00 0.00 H
ATOM 4073 CA GLY A 264 -3.487 13.193 -4.636 1.00 0.00 C
ATOM 4074 HA1 GLY A 264 -3.479 12.139 -4.913 1.00 0.00 H
ATOM 4075 HA2 GLY A 264 -3.250 13.800 -5.510 1.00 0.00 H
ATOM 4076 C GLY A 264 -2.409 13.420 -3.590 1.00 0.00 C
ATOM 4077 O GLY A 264 -1.412 12.706 -3.568 1.00 0.00 O
ATOM 4078 N PHE A 265 -2.600 14.430 -2.716 1.00 0.00 N
ATOM 4079 H PHE A 265 -3.412 15.023 -2.801 1.00 0.00 H
ATOM 4080 CA PHE A 265 -1.650 14.696 -1.631 1.00 0.00 C
ATOM 4081 HA PHE A 265 -0.649 14.819 -2.046 1.00 0.00 H
ATOM 4082 CB PHE A 265 -1.992 16.009 -0.910 1.00 0.00 C
ATOM 4083 HB1 PHE A 265 -1.791 16.852 -1.572 1.00 0.00 H
ATOM 4084 HB2 PHE A 265 -3.046 16.009 -0.633 1.00 0.00 H
ATOM 4085 CG PHE A 265 -1.185 16.218 0.358 1.00 0.00 C
ATOM 4086 CD1 PHE A 265 0.185 16.492 0.296 1.00 0.00 C
ATOM 4087 HD1 PHE A 265 0.681 16.550 -0.661 1.00 0.00 H
ATOM 4088 CE1 PHE A 265 0.933 16.694 1.475 1.00 0.00 C
ATOM 4089 HE1 PHE A 265 1.989 16.911 1.413 1.00 0.00 H
ATOM 4090 CZ PHE A 265 0.316 16.614 2.708 1.00 0.00 C
ATOM 4091 HZ PHE A 265 0.882 16.801 3.608 1.00 0.00 H
ATOM 4092 CE2 PHE A 265 -1.029 16.294 2.789 1.00 0.00 C
ATOM 4093 HE2 PHE A 265 -1.503 16.189 3.754 1.00 0.00 H
ATOM 4094 CD2 PHE A 265 -1.781 16.104 1.609 1.00 0.00 C
ATOM 4095 HD2 PHE A 265 -2.832 15.866 1.687 1.00 0.00 H
ATOM 4096 C PHE A 265 -1.676 13.546 -0.641 1.00 0.00 C
ATOM 4097 O PHE A 265 -0.626 13.000 -0.312 1.00 0.00 O
ATOM 4098 N TRP A 266 -2.885 13.161 -0.169 1.00 0.00 N
ATOM 4099 H TRP A 266 -3.724 13.617 -0.498 1.00 0.00 H
ATOM 4100 CA TRP A 266 -3.012 12.080 0.825 1.00 0.00 C
ATOM 4101 HA TRP A 266 -2.481 12.359 1.736 1.00 0.00 H
ATOM 4102 CB TRP A 266 -4.433 12.050 1.416 1.00 0.00 C
ATOM 4103 HB1 TRP A 266 -5.155 11.868 0.619 1.00 0.00 H
ATOM 4104 HB2 TRP A 266 -4.503 11.253 2.157 1.00 0.00 H
ATOM 4105 CG TRP A 266 -4.782 13.349 2.083 1.00 0.00 C
ATOM 4106 CD1 TRP A 266 -5.656 14.293 1.631 1.00 0.00 C
ATOM 4107 HD1 TRP A 266 -6.172 14.146 0.694 1.00 0.00 H
ATOM 4108 NE1 TRP A 266 -5.723 15.337 2.522 1.00 0.00 N
ATOM 4109 HE1 TRP A 266 -6.368 16.098 2.362 1.00 0.00 H
ATOM 4110 CE2 TRP A 266 -4.823 15.121 3.539 1.00 0.00 C
ATOM 4111 CZ2 TRP A 266 -4.558 15.873 4.690 1.00 0.00 C
ATOM 4112 HZ2 TRP A 266 -5.069 16.811 4.852 1.00 0.00 H
ATOM 4113 CH2 TRP A 266 -3.633 15.366 5.586 1.00 0.00 C
ATOM 4114 HH2 TRP A 266 -3.369 15.931 6.468 1.00 0.00 H
ATOM 4115 CZ3 TRP A 266 -3.020 14.120 5.376 1.00 0.00 C
ATOM 4116 HZ3 TRP A 266 -2.318 13.753 6.110 1.00 0.00 H
ATOM 4117 CE3 TRP A 266 -3.305 13.359 4.244 1.00 0.00 C
ATOM 4118 HE3 TRP A 266 -2.832 12.402 4.078 1.00 0.00 H
ATOM 4119 CD2 TRP A 266 -4.230 13.859 3.306 1.00 0.00 C
ATOM 4120 C TRP A 266 -2.591 10.725 0.298 1.00 0.00 C
ATOM 4121 O TRP A 266 -2.203 9.844 1.080 1.00 0.00 O
ATOM 4122 N LEU A 267 -2.645 10.560 -1.034 1.00 0.00 N
ATOM 4123 H LEU A 267 -3.006 11.299 -1.620 1.00 0.00 H
ATOM 4124 CA LEU A 267 -2.198 9.332 -1.703 1.00 0.00 C
ATOM 4125 HA LEU A 267 -2.535 8.464 -1.136 1.00 0.00 H
ATOM 4126 CB LEU A 267 -2.882 9.169 -3.078 1.00 0.00 C
ATOM 4127 HB1 LEU A 267 -2.858 10.119 -3.611 1.00 0.00 H
ATOM 4128 HB2 LEU A 267 -2.355 8.413 -3.659 1.00 0.00 H
ATOM 4129 CG LEU A 267 -4.353 8.736 -3.085 1.00 0.00 C
ATOM 4130 HG LEU A 267 -4.940 9.433 -2.488 1.00 0.00 H
ATOM 4131 CD1 LEU A 267 -4.893 8.745 -4.508 1.00 0.00 C
ATOM 4132 1HD1 LEU A 267 -5.938 8.436 -4.502 1.00 0.00 H
ATOM 4133 2HD1 LEU A 267 -4.815 9.751 -4.920 1.00 0.00 H
ATOM 4134 3HD1 LEU A 267 -4.314 8.055 -5.122 1.00 0.00 H
ATOM 4135 CD2 LEU A 267 -4.520 7.322 -2.542 1.00 0.00 C
ATOM 4136 1HD2 LEU A 267 -5.575 7.047 -2.562 1.00 0.00 H
ATOM 4137 2HD2 LEU A 267 -3.952 6.625 -3.159 1.00 0.00 H
ATOM 4138 3HD2 LEU A 267 -4.153 7.280 -1.517 1.00 0.00 H
ATOM 4139 C LEU A 267 -0.665 9.298 -1.881 1.00 0.00 C
ATOM 4140 O LEU A 267 -0.140 8.369 -2.492 1.00 0.00 O
ATOM 4141 N GLY A 268 0.030 10.322 -1.392 1.00 0.00 N
ATOM 4142 H GLY A 268 -0.447 11.081 -0.928 1.00 0.00 H
ATOM 4143 CA GLY A 268 1.486 10.398 -1.500 1.00 0.00 C
ATOM 4144 HA1 GLY A 268 1.853 11.228 -0.896 1.00 0.00 H
ATOM 4145 HA2 GLY A 268 1.926 9.467 -1.142 1.00 0.00 H
ATOM 4146 C GLY A 268 2.003 10.615 -2.902 1.00 0.00 C
ATOM 4147 O GLY A 268 3.200 10.456 -3.145 1.00 0.00 O
ATOM 4148 N GLU A 269 1.113 11.006 -3.824 1.00 0.00 N
ATOM 4149 H GLU A 269 0.154 11.178 -3.559 1.00 0.00 H
ATOM 4150 CA GLU A 269 1.431 11.211 -5.239 1.00 0.00 C
ATOM 4151 HA GLU A 269 2.230 10.531 -5.535 1.00 0.00 H
ATOM 4152 CB GLU A 269 0.264 10.786 -6.142 1.00 0.00 C
ATOM 4153 HB1 GLU A 269 -0.629 11.351 -5.872 1.00 0.00 H
ATOM 4154 HB2 GLU A 269 0.518 10.984 -7.183 1.00 0.00 H
ATOM 4155 CG GLU A 269 -0.113 9.311 -6.059 1.00 0.00 C
ATOM 4156 HG1 GLU A 269 0.582 8.724 -6.659 1.00 0.00 H
ATOM 4157 HG2 GLU A 269 -0.066 8.981 -5.021 1.00 0.00 H
ATOM 4158 CD GLU A 269 -1.503 8.943 -6.550 1.00 0.00 C
ATOM 4159 OE1 GLU A 269 -1.805 7.731 -6.603 1.00 0.00 O
ATOM 4160 OE2 GLU A 269 -2.296 9.858 -6.867 1.00 0.00 O
ATOM 4161 C GLU A 269 1.816 12.642 -5.571 1.00 0.00 C
ATOM 4162 O GLU A 269 2.786 12.856 -6.293 1.00 0.00 O
ATOM 4163 N GLN A 270 1.042 13.617 -5.084 1.00 0.00 N
ATOM 4164 H GLN A 270 0.272 13.392 -4.470 1.00 0.00 H
ATOM 4165 CA GLN A 270 1.283 14.998 -5.420 1.00 0.00 C
ATOM 4166 HA GLN A 270 1.850 15.052 -6.350 1.00 0.00 H
ATOM 4167 CB GLN A 270 0.088 15.633 -6.134 1.00 0.00 C
ATOM 4168 HB1 GLN A 270 0.407 16.548 -6.632 1.00 0.00 H
ATOM 4169 HB2 GLN A 270 -0.307 14.936 -6.873 1.00 0.00 H
ATOM 4170 CG GLN A 270 -1.078 16.023 -5.285 1.00 0.00 C
ATOM 4171 HG1 GLN A 270 -1.420 15.157 -4.717 1.00 0.00 H
ATOM 4172 HG2 GLN A 270 -0.779 16.813 -4.597 1.00 0.00 H
ATOM 4173 CD GLN A 270 -2.205 16.522 -6.158 1.00 0.00 C
ATOM 4174 OE1 GLN A 270 -2.867 15.763 -6.860 1.00 0.00 O
ATOM 4175 NE2 GLN A 270 -2.425 17.816 -6.144 1.00 0.00 N
ATOM 4176 1HE2 GLN A 270 -1.854 18.419 -5.569 1.00 0.00 H
ATOM 4177 2HE2 GLN A 270 -3.165 18.208 -6.707 1.00 0.00 H
ATOM 4178 C GLN A 270 1.821 15.864 -4.319 1.00 0.00 C
ATOM 4179 O GLN A 270 1.512 15.664 -3.141 1.00 0.00 O
ATOM 4180 N LEU A 271 2.604 16.852 -4.705 1.00 0.00 N
ATOM 4181 H LEU A 271 2.808 16.982 -5.685 1.00 0.00 H
ATOM 4182 CA LEU A 271 3.166 17.746 -3.710 1.00 0.00 C
ATOM 4183 HA LEU A 271 3.503 17.168 -2.850 1.00 0.00 H
ATOM 4184 CB LEU A 271 4.560 18.300 -4.127 1.00 0.00 C
ATOM 4185 HB1 LEU A 271 4.872 19.069 -3.419 1.00 0.00 H
ATOM 4186 HB2 LEU A 271 5.289 17.490 -4.126 1.00 0.00 H
ATOM 4187 CG LEU A 271 4.759 18.964 -5.491 1.00 0.00 C
ATOM 4188 HG LEU A 271 4.372 18.311 -6.273 1.00 0.00 H
ATOM 4189 CD1 LEU A 271 4.007 20.246 -5.596 1.00 0.00 C
ATOM 4190 1HD1 LEU A 271 4.173 20.687 -6.579 1.00 0.00 H
ATOM 4191 2HD1 LEU A 271 2.942 20.056 -5.459 1.00 0.00 H
ATOM 4192 3HD1 LEU A 271 4.354 20.936 -4.826 1.00 0.00 H
ATOM 4193 CD2 LEU A 271 6.223 19.317 -5.712 1.00 0.00 C
ATOM 4194 1HD2 LEU A 271 6.340 19.788 -6.688 1.00 0.00 H
ATOM 4195 2HD2 LEU A 271 6.552 20.007 -4.935 1.00 0.00 H
ATOM 4196 3HD2 LEU A 271 6.826 18.410 -5.671 1.00 0.00 H
ATOM 4197 C LEU A 271 2.210 18.850 -3.356 1.00 0.00 C
ATOM 4198 O LEU A 271 1.297 19.159 -4.130 1.00 0.00 O
ATOM 4199 N VAL A 272 2.412 19.434 -2.172 1.00 0.00 N
ATOM 4200 H VAL A 272 3.081 19.044 -1.524 1.00 0.00 H
ATOM 4201 CA VAL A 272 1.717 20.634 -1.726 1.00 0.00 C
ATOM 4202 HA VAL A 272 0.974 20.922 -2.470 1.00 0.00 H
ATOM 4203 CB VAL A 272 0.825 20.461 -0.477 1.00 0.00 C
ATOM 4204 HB VAL A 272 0.554 21.442 -0.085 1.00 0.00 H
ATOM 4205 CG1 VAL A 272 -0.401 19.616 -0.817 1.00 0.00 C
ATOM 4206 1HG1 VAL A 272 -1.021 19.501 0.072 1.00 0.00 H
ATOM 4207 2HG1 VAL A 272 -0.977 20.108 -1.600 1.00 0.00 H
ATOM 4208 3HG1 VAL A 272 -0.080 18.634 -1.164 1.00 0.00 H
ATOM 4209 CG2 VAL A 272 1.609 19.861 0.675 1.00 0.00 C
ATOM 4210 1HG2 VAL A 272 0.956 19.751 1.541 1.00 0.00 H
ATOM 4211 2HG2 VAL A 272 1.993 18.884 0.384 1.00 0.00 H
ATOM 4212 3HG2 VAL A 272 2.441 20.518 0.929 1.00 0.00 H
ATOM 4213 C VAL A 272 2.809 21.651 -1.500 1.00 0.00 C
ATOM 4214 O VAL A 272 3.901 21.284 -1.041 1.00 0.00 O
ATOM 4215 N CYS A 273 2.528 22.915 -1.842 1.00 0.00 N
ATOM 4216 H CYS A 273 1.607 23.153 -2.182 1.00 0.00 H
ATOM 4217 CA CYS A 273 3.505 23.996 -1.750 1.00 0.00 C
ATOM 4218 HA CYS A 273 4.416 23.623 -1.280 1.00 0.00 H
ATOM 4219 CB CYS A 273 3.914 24.449 -3.154 1.00 0.00 C
ATOM 4220 HB1 CYS A 273 3.024 24.713 -3.725 1.00 0.00 H
ATOM 4221 HB2 CYS A 273 4.568 25.318 -3.079 1.00 0.00 H
ATOM 4222 SG CYS A 273 4.803 23.207 -4.117 1.00 0.00 S
ATOM 4223 C CYS A 273 2.951 25.147 -0.975 1.00 0.00 C
ATOM 4224 O CYS A 273 1.752 25.464 -1.092 1.00 0.00 O
ATOM 4225 N TRP A 274 3.827 25.824 -0.215 1.00 0.00 N
ATOM 4226 H TRP A 274 4.772 25.484 -0.109 1.00 0.00 H
ATOM 4227 CA TRP A 274 3.471 27.062 0.486 1.00 0.00 C
ATOM 4228 HA TRP A 274 2.493 27.405 0.145 1.00 0.00 H
ATOM 4229 CB TRP A 274 3.390 26.851 2.011 1.00 0.00 C
ATOM 4230 HB1 TRP A 274 4.273 26.309 2.350 1.00 0.00 H
ATOM 4231 HB2 TRP A 274 3.344 27.819 2.510 1.00 0.00 H
ATOM 4232 CG TRP A 274 2.187 26.063 2.459 1.00 0.00 C
ATOM 4233 CD1 TRP A 274 0.941 26.539 2.746 1.00 0.00 C
ATOM 4234 HD1 TRP A 274 0.721 27.588 2.615 1.00 0.00 H
ATOM 4235 NE1 TRP A 274 0.131 25.510 3.185 1.00 0.00 N
ATOM 4236 HE1 TRP A 274 -0.829 25.696 3.438 1.00 0.00 H
ATOM 4237 CE2 TRP A 274 0.859 24.346 3.187 1.00 0.00 C
ATOM 4238 CZ2 TRP A 274 0.514 23.066 3.620 1.00 0.00 C
ATOM 4239 HZ2 TRP A 274 -0.484 22.871 3.986 1.00 0.00 H
ATOM 4240 CH2 TRP A 274 1.481 22.094 3.558 1.00 0.00 C
ATOM 4241 HH2 TRP A 274 1.256 21.087 3.877 1.00 0.00 H
ATOM 4242 CZ3 TRP A 274 2.770 22.370 3.087 1.00 0.00 C
ATOM 4243 HZ3 TRP A 274 3.486 21.563 3.021 1.00 0.00 H
ATOM 4244 CE3 TRP A 274 3.134 23.649 2.708 1.00 0.00 C
ATOM 4245 HE3 TRP A 274 4.139 23.876 2.383 1.00 0.00 H
ATOM 4246 CD2 TRP A 274 2.163 24.665 2.753 1.00 0.00 C
ATOM 4247 C TRP A 274 4.545 28.113 0.173 1.00 0.00 C
ATOM 4248 O TRP A 274 5.690 27.755 -0.110 1.00 0.00 O
ATOM 4249 N GLN A 275 4.186 29.391 0.245 1.00 0.00 N
ATOM 4250 H GLN A 275 3.227 29.636 0.443 1.00 0.00 H
ATOM 4251 CA GLN A 275 5.150 30.472 0.043 1.00 0.00 C
ATOM 4252 HA GLN A 275 5.530 30.435 -0.978 1.00 0.00 H
ATOM 4253 CB GLN A 275 4.453 31.809 0.323 1.00 0.00 C
ATOM 4254 HB1 GLN A 275 3.559 31.890 -0.295 1.00 0.00 H
ATOM 4255 HB2 GLN A 275 4.172 31.860 1.375 1.00 0.00 H
ATOM 4256 CG GLN A 275 5.320 33.030 0.028 1.00 0.00 C
ATOM 4257 HG1 GLN A 275 6.268 32.941 0.559 1.00 0.00 H
ATOM 4258 HG2 GLN A 275 5.509 33.092 -1.044 1.00 0.00 H
ATOM 4259 CD GLN A 275 4.652 34.309 0.465 1.00 0.00 C
ATOM 4260 OE1 GLN A 275 4.860 34.799 1.579 1.00 0.00 O
ATOM 4261 NE2 GLN A 275 3.864 34.898 -0.425 1.00 0.00 N
ATOM 4262 1HE2 GLN A 275 3.738 34.486 -1.339 1.00 0.00 H
ATOM 4263 2HE2 GLN A 275 3.389 35.758 -0.189 1.00 0.00 H
ATOM 4264 C GLN A 275 6.298 30.249 1.039 1.00 0.00 C
ATOM 4265 O GLN A 275 6.056 29.810 2.177 1.00 0.00 O
ATOM 4266 N ALA A 276 7.548 30.495 0.589 1.00 0.00 N
ATOM 4267 H ALA A 276 7.687 30.847 -0.347 1.00 0.00 H
ATOM 4268 CA ALA A 276 8.774 30.295 1.356 1.00 0.00 C
ATOM 4269 HA ALA A 276 9.082 29.252 1.284 1.00 0.00 H
ATOM 4270 CB ALA A 276 9.918 31.104 0.725 1.00 0.00 C
ATOM 4271 HB1 ALA A 276 10.832 30.952 1.299 1.00 0.00 H
ATOM 4272 HB2 ALA A 276 10.076 30.771 -0.301 1.00 0.00 H
ATOM 4273 HB3 ALA A 276 9.660 32.163 0.727 1.00 0.00 H
ATOM 4274 C ALA A 276 8.609 30.690 2.823 1.00 0.00 C
ATOM 4275 O ALA A 276 8.186 31.798 3.127 1.00 0.00 O
ATOM 4276 N GLY A 277 8.912 29.751 3.697 1.00 0.00 N
ATOM 4277 H GLY A 277 9.183 28.832 3.378 1.00 0.00 H
ATOM 4278 CA GLY A 277 8.876 29.969 5.139 1.00 0.00 C
ATOM 4279 HA1 GLY A 277 9.473 29.205 5.637 1.00 0.00 H
ATOM 4280 HA2 GLY A 277 9.283 30.954 5.368 1.00 0.00 H
ATOM 4281 C GLY A 277 7.517 29.924 5.809 1.00 0.00 C
ATOM 4282 O GLY A 277 7.443 30.019 7.032 1.00 0.00 O
ATOM 4283 N THR A 278 6.439 29.753 5.051 1.00 0.00 N
ATOM 4284 H THR A 278 6.539 29.596 4.058 1.00 0.00 H
ATOM 4285 CA THR A 278 5.112 29.794 5.666 1.00 0.00 C
ATOM 4286 HA THR A 278 5.159 30.363 6.594 1.00 0.00 H
ATOM 4287 CB THR A 278 4.162 30.708 4.876 1.00 0.00 C
ATOM 4288 HB THR A 278 3.278 30.920 5.477 1.00 0.00 H
ATOM 4289 CG2 THR A 278 4.735 32.130 4.649 1.00 0.00 C
ATOM 4290 1HG2 THR A 278 4.018 32.726 4.085 1.00 0.00 H
ATOM 4291 2HG2 THR A 278 4.925 32.604 5.612 1.00 0.00 H
ATOM 4292 3HG2 THR A 278 5.668 32.061 4.089 1.00 0.00 H
ATOM 4293 OG1 THR A 278 3.863 30.061 3.640 1.00 0.00 O
ATOM 4294 HG1 THR A 278 4.665 29.976 3.120 1.00 0.00 H
ATOM 4295 C THR A 278 4.454 28.427 5.892 1.00 0.00 C
ATOM 4296 O THR A 278 3.249 28.398 6.151 1.00 0.00 O
ATOM 4297 N THR A 279 5.197 27.312 5.769 1.00 0.00 N
ATOM 4298 H THR A 279 6.173 27.380 5.519 1.00 0.00 H
ATOM 4299 CA THR A 279 4.610 25.980 5.994 1.00 0.00 C
ATOM 4300 HA THR A 279 3.957 25.725 5.159 1.00 0.00 H
ATOM 4301 CB THR A 279 5.665 24.859 5.919 1.00 0.00 C
ATOM 4302 HB THR A 279 6.352 24.950 6.761 1.00 0.00 H
ATOM 4303 CG2 THR A 279 5.040 23.449 6.014 1.00 0.00 C
ATOM 4304 1HG2 THR A 279 5.827 22.697 5.956 1.00 0.00 H
ATOM 4305 2HG2 THR A 279 4.511 23.348 6.961 1.00 0.00 H
ATOM 4306 3HG2 THR A 279 4.340 23.305 5.190 1.00 0.00 H
ATOM 4307 OG1 THR A 279 6.352 24.996 4.680 1.00 0.00 O
ATOM 4308 HG1 THR A 279 7.055 24.344 4.630 1.00 0.00 H
ATOM 4309 C THR A 279 3.889 25.991 7.341 1.00 0.00 C
ATOM 4310 O THR A 279 4.507 26.336 8.354 1.00 0.00 O
ATOM 4311 N PRO A 280 2.581 25.629 7.355 1.00 0.00 N
ATOM 4312 CD PRO A 280 1.731 25.217 6.215 1.00 0.00 C
ATOM 4313 HD1 PRO A 280 2.116 24.290 5.790 1.00 0.00 H
ATOM 4314 HD2 PRO A 280 1.741 25.996 5.453 1.00 0.00 H
ATOM 4315 CG PRO A 280 0.350 25.032 6.816 1.00 0.00 C
ATOM 4316 HG1 PRO A 280 0.157 23.987 7.061 1.00 0.00 H
ATOM 4317 HG2 PRO A 280 -0.429 25.398 6.148 1.00 0.00 H
ATOM 4318 CB PRO A 280 0.355 25.859 8.091 1.00 0.00 C
ATOM 4319 HB1 PRO A 280 -0.348 25.486 8.836 1.00 0.00 H
ATOM 4320 HB2 PRO A 280 0.162 26.916 7.907 1.00 0.00 H
ATOM 4321 CA PRO A 280 1.797 25.681 8.609 1.00 0.00 C
ATOM 4322 HA PRO A 280 2.126 26.531 9.208 1.00 0.00 H
ATOM 4323 C PRO A 280 1.966 24.407 9.432 1.00 0.00 C
ATOM 4324 O PRO A 280 1.016 23.650 9.680 1.00 0.00 O
ATOM 4325 N TRP A 281 3.185 24.168 9.886 1.00 0.00 N
ATOM 4326 H TRP A 281 3.933 24.818 9.691 1.00 0.00 H
ATOM 4327 CA TRP A 281 3.500 22.975 10.678 1.00 0.00 C
ATOM 4328 HA TRP A 281 3.522 22.102 10.026 1.00 0.00 H
ATOM 4329 CB TRP A 281 4.909 23.153 11.290 1.00 0.00 C
ATOM 4330 HB1 TRP A 281 4.927 24.052 11.907 1.00 0.00 H
ATOM 4331 HB2 TRP A 281 5.151 22.286 11.905 1.00 0.00 H
ATOM 4332 CG TRP A 281 5.988 23.291 10.258 1.00 0.00 C
ATOM 4333 CD1 TRP A 281 6.778 24.386 10.024 1.00 0.00 C
ATOM 4334 HD1 TRP A 281 6.632 25.290 10.596 1.00 0.00 H
ATOM 4335 NE1 TRP A 281 7.685 24.108 9.020 1.00 0.00 N
ATOM 4336 HE1 TRP A 281 8.370 24.800 8.752 1.00 0.00 H
ATOM 4337 CE2 TRP A 281 7.451 22.838 8.550 1.00 0.00 C
ATOM 4338 CZ2 TRP A 281 8.094 22.115 7.540 1.00 0.00 C
ATOM 4339 HZ2 TRP A 281 8.897 22.569 6.978 1.00 0.00 H
ATOM 4340 CH2 TRP A 281 7.658 20.825 7.307 1.00 0.00 C
ATOM 4341 HH2 TRP A 281 8.129 20.226 6.543 1.00 0.00 H
ATOM 4342 CZ3 TRP A 281 6.603 20.255 8.044 1.00 0.00 C
ATOM 4343 HZ3 TRP A 281 6.277 19.254 7.803 1.00 0.00 H
ATOM 4344 CE3 TRP A 281 5.983 20.959 9.069 1.00 0.00 C
ATOM 4345 HE3 TRP A 281 5.205 20.512 9.671 1.00 0.00 H
ATOM 4346 CD2 TRP A 281 6.392 22.292 9.315 1.00 0.00 C
ATOM 4347 C TRP A 281 2.476 22.727 11.808 1.00 0.00 C
ATOM 4348 O TRP A 281 2.032 21.604 12.016 1.00 0.00 O
ATOM 4349 N ASN A 282 2.083 23.803 12.506 1.00 0.00 N
ATOM 4350 H ASN A 282 2.399 24.724 12.236 1.00 0.00 H
ATOM 4351 CA ASN A 282 1.203 23.750 13.669 1.00 0.00 C
ATOM 4352 HA ASN A 282 1.697 23.206 14.474 1.00 0.00 H
ATOM 4353 CB ASN A 282 1.108 25.160 14.322 1.00 0.00 C
ATOM 4354 HB1 ASN A 282 0.732 25.064 15.340 1.00 0.00 H
ATOM 4355 HB2 ASN A 282 2.096 25.619 14.341 1.00 0.00 H
ATOM 4356 CG ASN A 282 0.173 26.085 13.561 1.00 0.00 C
ATOM 4357 OD1 ASN A 282 0.681 26.723 12.518 1.00 0.00 O
ATOM 4358 ND2 ASN A 282 -1.034 26.143 13.834 1.00 0.00 N
ATOM 4359 1HD2 ASN A 282 -1.413 25.568 14.573 1.00 0.00 H
ATOM 4360 2HD2 ASN A 282 -1.640 26.764 13.317 1.00 0.00 H
ATOM 4361 C ASN A 282 -0.191 23.172 13.360 1.00 0.00 C
ATOM 4362 O ASN A 282 -0.835 22.654 14.280 1.00 0.00 O
ATOM 4363 N ILE A 283 -0.658 23.219 12.080 1.00 0.00 N
ATOM 4364 H ILE A 283 -0.096 23.636 11.352 1.00 0.00 H
ATOM 4365 CA ILE A 283 -1.987 22.653 11.798 1.00 0.00 C
ATOM 4366 HA ILE A 283 -2.708 23.041 12.517 1.00 0.00 H
ATOM 4367 CB ILE A 283 -2.718 23.276 10.580 1.00 0.00 C
ATOM 4368 HB ILE A 283 -3.794 23.148 10.697 1.00 0.00 H
ATOM 4369 CG2 ILE A 283 -2.784 24.813 10.657 1.00 0.00 C
ATOM 4370 1HG2 ILE A 283 -3.305 25.199 9.781 1.00 0.00 H
ATOM 4371 2HG2 ILE A 283 -3.321 25.109 11.558 1.00 0.00 H
ATOM 4372 3HG2 ILE A 283 -1.773 25.219 10.686 1.00 0.00 H
ATOM 4373 CG1 ILE A 283 -2.141 22.759 9.232 1.00 0.00 C
ATOM 4374 1HG1 ILE A 283 -1.132 23.148 9.094 1.00 0.00 H
ATOM 4375 2HG1 ILE A 283 -2.111 21.670 9.243 1.00 0.00 H
ATOM 4376 CD ILE A 283 -3.002 23.204 7.989 1.00 0.00 C
ATOM 4377 HD1 ILE A 283 -2.552 22.815 7.076 1.00 0.00 H
ATOM 4378 HD2 ILE A 283 -4.015 22.814 8.090 1.00 0.00 H
ATOM 4379 HD3 ILE A 283 -3.036 24.293 7.941 1.00 0.00 H
ATOM 4380 C ILE A 283 -1.946 21.125 11.698 1.00 0.00 C
ATOM 4381 O ILE A 283 -2.977 20.480 11.808 1.00 0.00 O
ATOM 4382 N PHE A 284 -0.758 20.565 11.438 1.00 0.00 N
ATOM 4383 H PHE A 284 0.057 21.147 11.312 1.00 0.00 H
ATOM 4384 CA PHE A 284 -0.563 19.124 11.324 1.00 0.00 C
ATOM 4385 HA PHE A 284 -1.448 18.671 10.877 1.00 0.00 H
ATOM 4386 CB PHE A 284 0.580 18.797 10.362 1.00 0.00 C
ATOM 4387 HB1 PHE A 284 1.441 19.425 10.593 1.00 0.00 H
ATOM 4388 HB2 PHE A 284 0.858 17.748 10.470 1.00 0.00 H
ATOM 4389 CG PHE A 284 0.195 19.038 8.914 1.00 0.00 C
ATOM 4390 CD1 PHE A 284 -0.381 18.021 8.153 1.00 0.00 C
ATOM 4391 HD1 PHE A 284 -0.562 17.052 8.594 1.00 0.00 H
ATOM 4392 CE1 PHE A 284 -0.732 18.241 6.812 1.00 0.00 C
ATOM 4393 HE1 PHE A 284 -1.199 17.453 6.239 1.00 0.00 H
ATOM 4394 CZ PHE A 284 -0.477 19.471 6.230 1.00 0.00 C
ATOM 4395 HZ PHE A 284 -0.750 19.649 5.201 1.00 0.00 H
ATOM 4396 CE2 PHE A 284 0.128 20.476 6.958 1.00 0.00 C
ATOM 4397 HE2 PHE A 284 0.338 21.430 6.496 1.00 0.00 H
ATOM 4398 CD2 PHE A 284 0.469 20.257 8.302 1.00 0.00 C
ATOM 4399 HD2 PHE A 284 0.949 21.047 8.862 1.00 0.00 H
ATOM 4400 C PHE A 284 -0.281 18.530 12.687 1.00 0.00 C
ATOM 4401 O PHE A 284 0.448 19.119 13.507 1.00 0.00 O
ATOM 4402 N PRO A 285 -0.841 17.332 12.938 1.00 0.00 N
ATOM 4403 CD PRO A 285 -1.776 16.553 12.090 1.00 0.00 C
ATOM 4404 HD1 PRO A 285 -1.323 16.380 11.113 1.00 0.00 H
ATOM 4405 HD2 PRO A 285 -2.705 17.110 11.965 1.00 0.00 H
ATOM 4406 CG PRO A 285 -1.982 15.272 12.851 1.00 0.00 C
ATOM 4407 HG1 PRO A 285 -1.218 14.526 12.633 1.00 0.00 H
ATOM 4408 HG2 PRO A 285 -2.969 14.839 12.685 1.00 0.00 H
ATOM 4409 CB PRO A 285 -1.860 15.715 14.296 1.00 0.00 C
ATOM 4410 HB1 PRO A 285 -1.618 14.890 14.965 1.00 0.00 H
ATOM 4411 HB2 PRO A 285 -2.756 16.222 14.653 1.00 0.00 H
ATOM 4412 CA PRO A 285 -0.682 16.714 14.263 1.00 0.00 C
ATOM 4413 HA PRO A 285 -0.677 17.490 15.028 1.00 0.00 H
ATOM 4414 C PRO A 285 0.631 15.959 14.439 1.00 0.00 C
ATOM 4415 O PRO A 285 1.296 15.564 13.472 1.00 0.00 O
ATOM 4416 N VAL A 286 0.979 15.708 15.685 1.00 0.00 N
ATOM 4417 H VAL A 286 0.458 16.117 16.448 1.00 0.00 H
ATOM 4418 CA VAL A 286 2.118 14.839 15.976 1.00 0.00 C
ATOM 4419 HA VAL A 286 2.907 15.017 15.245 1.00 0.00 H
ATOM 4420 CB VAL A 286 2.833 15.190 17.308 1.00 0.00 C
ATOM 4421 HB VAL A 286 3.662 14.501 17.468 1.00 0.00 H
ATOM 4422 CG1 VAL A 286 3.285 16.656 17.301 1.00 0.00 C
ATOM 4423 1HG1 VAL A 286 3.784 16.887 18.242 1.00 0.00 H
ATOM 4424 2HG1 VAL A 286 3.976 16.820 16.474 1.00 0.00 H
ATOM 4425 3HG1 VAL A 286 2.417 17.304 17.183 1.00 0.00 H
ATOM 4426 CG2 VAL A 286 1.948 14.891 18.527 1.00 0.00 C
ATOM 4427 1HG2 VAL A 286 2.486 15.150 19.439 1.00 0.00 H
ATOM 4428 2HG2 VAL A 286 1.033 15.479 18.466 1.00 0.00 H
ATOM 4429 3HG2 VAL A 286 1.697 13.830 18.544 1.00 0.00 H
ATOM 4430 C VAL A 286 1.548 13.404 15.966 1.00 0.00 C
ATOM 4431 O VAL A 286 0.351 13.204 16.152 1.00 0.00 O
ATOM 4432 N ILE A 287 2.396 12.422 15.713 1.00 0.00 N
ATOM 4433 H ILE A 287 3.368 12.628 15.537 1.00 0.00 H
ATOM 4434 CA ILE A 287 1.971 11.020 15.680 1.00 0.00 C
ATOM 4435 HA ILE A 287 0.915 10.954 15.939 1.00 0.00 H
ATOM 4436 CB ILE A 287 2.165 10.413 14.263 1.00 0.00 C
ATOM 4437 HB ILE A 287 3.218 10.468 13.985 1.00 0.00 H
ATOM 4438 CG2 ILE A 287 1.847 8.907 14.292 1.00 0.00 C
ATOM 4439 1HG2 ILE A 287 1.985 8.487 13.296 1.00 0.00 H
ATOM 4440 2HG2 ILE A 287 2.516 8.408 14.993 1.00 0.00 H
ATOM 4441 3HG2 ILE A 287 0.815 8.760 14.608 1.00 0.00 H
ATOM 4442 CG1 ILE A 287 1.268 11.153 13.223 1.00 0.00 C
ATOM 4443 1HG1 ILE A 287 0.221 10.920 13.414 1.00 0.00 H
ATOM 4444 2HG1 ILE A 287 1.421 12.229 13.311 1.00 0.00 H
ATOM 4445 CD ILE A 287 1.578 10.755 11.782 1.00 0.00 C
ATOM 4446 HD1 ILE A 287 0.923 11.302 11.104 1.00 0.00 H
ATOM 4447 HD2 ILE A 287 2.617 10.994 11.554 1.00 0.00 H
ATOM 4448 HD3 ILE A 287 1.417 9.684 11.658 1.00 0.00 H
ATOM 4449 C ILE A 287 2.822 10.275 16.689 1.00 0.00 C
ATOM 4450 O ILE A 287 4.055 10.357 16.618 1.00 0.00 O
ATOM 4451 N SER A 288 2.168 9.574 17.625 1.00 0.00 N
ATOM 4452 H SER A 288 1.159 9.599 17.662 1.00 0.00 H
ATOM 4453 CA SER A 288 2.867 8.760 18.611 1.00 0.00 C
ATOM 4454 HA SER A 288 3.938 8.951 18.548 1.00 0.00 H
ATOM 4455 CB SER A 288 2.407 9.100 20.030 1.00 0.00 C
ATOM 4456 HB1 SER A 288 1.338 8.908 20.122 1.00 0.00 H
ATOM 4457 HB2 SER A 288 2.950 8.482 20.746 1.00 0.00 H
ATOM 4458 OG SER A 288 2.653 10.460 20.323 1.00 0.00 O
ATOM 4459 HG SER A 288 3.594 10.638 20.251 1.00 0.00 H
ATOM 4460 C SER A 288 2.617 7.290 18.375 1.00 0.00 C
ATOM 4461 O SER A 288 1.469 6.841 18.261 1.00 0.00 O
ATOM 4462 N LEU A 289 3.706 6.536 18.347 1.00 0.00 N
ATOM 4463 H LEU A 289 4.619 6.966 18.393 1.00 0.00 H
ATOM 4464 CA LEU A 289 3.699 5.090 18.251 1.00 0.00 C
ATOM 4465 HA LEU A 289 2.680 4.741 18.082 1.00 0.00 H
ATOM 4466 CB LEU A 289 4.674 4.613 17.136 1.00 0.00 C
ATOM 4467 HB1 LEU A 289 5.677 4.987 17.344 1.00 0.00 H
ATOM 4468 HB2 LEU A 289 4.693 3.523 17.109 1.00 0.00 H
ATOM 4469 CG LEU A 289 4.353 5.060 15.703 1.00 0.00 C
ATOM 4470 HG LEU A 289 4.424 6.145 15.635 1.00 0.00 H
ATOM 4471 CD1 LEU A 289 5.297 4.349 14.686 1.00 0.00 C
ATOM 4472 1HD1 LEU A 289 5.055 4.677 13.675 1.00 0.00 H
ATOM 4473 2HD1 LEU A 289 6.332 4.603 14.912 1.00 0.00 H
ATOM 4474 3HD1 LEU A 289 5.164 3.270 14.758 1.00 0.00 H
ATOM 4475 CD2 LEU A 289 2.867 4.805 15.343 1.00 0.00 C
ATOM 4476 1HD2 LEU A 289 2.678 5.134 14.321 1.00 0.00 H
ATOM 4477 2HD2 LEU A 289 2.650 3.740 15.427 1.00 0.00 H
ATOM 4478 3HD2 LEU A 289 2.226 5.361 16.027 1.00 0.00 H
ATOM 4479 C LEU A 289 4.197 4.575 19.606 1.00 0.00 C
ATOM 4480 O LEU A 289 5.327 4.906 20.009 1.00 0.00 O
ATOM 4481 N TYR A 290 3.367 3.779 20.284 1.00 0.00 N
ATOM 4482 H TYR A 290 2.447 3.581 19.919 1.00 0.00 H
ATOM 4483 CA TYR A 290 3.756 3.179 21.554 1.00 0.00 C
ATOM 4484 HA TYR A 290 4.516 3.797 22.031 1.00 0.00 H
ATOM 4485 CB TYR A 290 2.593 3.043 22.573 1.00 0.00 C
ATOM 4486 HB1 TYR A 290 1.734 2.580 22.086 1.00 0.00 H
ATOM 4487 HB2 TYR A 290 2.913 2.423 23.410 1.00 0.00 H
ATOM 4488 CG TYR A 290 2.106 4.355 23.162 1.00 0.00 C
ATOM 4489 CD1 TYR A 290 1.527 5.335 22.358 1.00 0.00 C
ATOM 4490 HD1 TYR A 290 1.444 5.180 21.292 1.00 0.00 H
ATOM 4491 CE1 TYR A 290 1.044 6.532 22.904 1.00 0.00 C
ATOM 4492 HE1 TYR A 290 0.591 7.274 22.263 1.00 0.00 H
ATOM 4493 CZ TYR A 290 1.150 6.758 24.270 1.00 0.00 C
ATOM 4494 OH TYR A 290 0.698 7.936 24.825 1.00 0.00 O
ATOM 4495 HH TYR A 290 0.124 8.385 24.200 1.00 0.00 H
ATOM 4496 CE2 TYR A 290 1.724 5.793 25.086 1.00 0.00 C
ATOM 4497 HE2 TYR A 290 1.807 5.963 26.149 1.00 0.00 H
ATOM 4498 CD2 TYR A 290 2.195 4.602 24.530 1.00 0.00 C
ATOM 4499 HD2 TYR A 290 2.636 3.865 25.184 1.00 0.00 H
ATOM 4500 C TYR A 290 4.291 1.800 21.204 1.00 0.00 C
ATOM 4501 O TYR A 290 3.665 1.058 20.468 1.00 0.00 O
ATOM 4502 N LEU A 291 5.436 1.472 21.747 1.00 0.00 N
ATOM 4503 H LEU A 291 5.898 2.113 22.377 1.00 0.00 H
ATOM 4504 CA LEU A 291 6.091 0.212 21.489 1.00 0.00 C
ATOM 4505 HA LEU A 291 5.502 -0.365 20.775 1.00 0.00 H
ATOM 4506 CB LEU A 291 7.511 0.483 20.944 1.00 0.00 C
ATOM 4507 HB1 LEU A 291 8.061 1.100 21.653 1.00 0.00 H
ATOM 4508 HB2 LEU A 291 8.033 -0.464 20.804 1.00 0.00 H
ATOM 4509 CG LEU A 291 7.597 1.225 19.574 1.00 0.00 C
ATOM 4510 HG LEU A 291 6.962 2.110 19.599 1.00 0.00 H
ATOM 4511 CD1 LEU A 291 9.044 1.664 19.284 1.00 0.00 C
ATOM 4512 1HD1 LEU A 291 9.082 2.180 18.325 1.00 0.00 H
ATOM 4513 2HD1 LEU A 291 9.384 2.337 20.071 1.00 0.00 H
ATOM 4514 3HD1 LEU A 291 9.691 0.788 19.251 1.00 0.00 H
ATOM 4515 CD2 LEU A 291 7.143 0.311 18.447 1.00 0.00 C
ATOM 4516 1HD2 LEU A 291 7.210 0.844 17.498 1.00 0.00 H
ATOM 4517 2HD2 LEU A 291 7.783 -0.571 18.413 1.00 0.00 H
ATOM 4518 3HD2 LEU A 291 6.112 0.005 18.620 1.00 0.00 H
ATOM 4519 C LEU A 291 6.201 -0.577 22.782 1.00 0.00 C
ATOM 4520 O LEU A 291 6.396 0.004 23.842 1.00 0.00 O
ATOM 4521 N MET A 292 6.134 -1.899 22.690 1.00 0.00 N
ATOM 4522 H MET A 292 5.956 -2.335 21.797 1.00 0.00 H
ATOM 4523 CA MET A 292 6.308 -2.793 23.833 1.00 0.00 C
ATOM 4524 HA MET A 292 5.512 -2.617 24.557 1.00 0.00 H
ATOM 4525 CB MET A 292 6.263 -4.243 23.307 1.00 0.00 C
ATOM 4526 HB1 MET A 292 5.294 -4.433 22.845 1.00 0.00 H
ATOM 4527 HB2 MET A 292 7.052 -4.387 22.568 1.00 0.00 H
ATOM 4528 CG MET A 292 6.460 -5.295 24.381 1.00 0.00 C
ATOM 4529 HG1 MET A 292 7.404 -5.117 24.895 1.00 0.00 H
ATOM 4530 HG2 MET A 292 5.640 -5.241 25.097 1.00 0.00 H
ATOM 4531 SD MET A 292 6.494 -6.962 23.661 1.00 0.00 S
ATOM 4532 CE MET A 292 4.842 -7.161 23.316 1.00 0.00 C
ATOM 4533 HE1 MET A 292 4.679 -8.140 22.864 1.00 0.00 H
ATOM 4534 HE2 MET A 292 4.266 -7.087 24.238 1.00 0.00 H
ATOM 4535 HE3 MET A 292 4.519 -6.384 22.623 1.00 0.00 H
ATOM 4536 C MET A 292 7.678 -2.514 24.504 1.00 0.00 C
ATOM 4537 O MET A 292 8.687 -2.332 23.807 1.00 0.00 O
ATOM 4538 N GLY A 293 7.679 -2.430 25.829 1.00 0.00 N
ATOM 4539 H GLY A 293 6.820 -2.556 26.344 1.00 0.00 H
ATOM 4540 CA GLY A 293 8.890 -2.157 26.600 1.00 0.00 C
ATOM 4541 HA1 GLY A 293 9.575 -1.557 26.001 1.00 0.00 H
ATOM 4542 HA2 GLY A 293 8.629 -1.613 27.508 1.00 0.00 H
ATOM 4543 C GLY A 293 9.585 -3.435 26.988 1.00 0.00 C
ATOM 4544 O GLY A 293 9.099 -4.525 26.673 1.00 0.00 O
ATOM 4545 N GLU A 294 10.722 -3.321 27.661 1.00 0.00 N
ATOM 4546 H GLU A 294 11.078 -2.407 27.900 1.00 0.00 H
ATOM 4547 CA GLU A 294 11.488 -4.510 28.074 1.00 0.00 C
ATOM 4548 HA GLU A 294 11.503 -5.235 27.260 1.00 0.00 H
ATOM 4549 CB GLU A 294 12.973 -4.183 28.196 1.00 0.00 C
ATOM 4550 HB1 GLU A 294 13.095 -3.237 28.724 1.00 0.00 H
ATOM 4551 HB2 GLU A 294 13.476 -4.975 28.751 1.00 0.00 H
ATOM 4552 CG GLU A 294 13.645 -4.056 26.838 1.00 0.00 C
ATOM 4553 HG1 GLU A 294 13.135 -4.698 26.119 1.00 0.00 H
ATOM 4554 HG2 GLU A 294 13.592 -3.021 26.501 1.00 0.00 H
ATOM 4555 CD GLU A 294 15.095 -4.465 26.895 1.00 0.00 C
ATOM 4556 OE1 GLU A 294 15.901 -3.657 27.399 1.00 0.00 O
ATOM 4557 OE2 GLU A 294 15.409 -5.629 26.557 1.00 0.00 O
ATOM 4558 C GLU A 294 10.957 -5.122 29.365 1.00 0.00 C
ATOM 4559 O GLU A 294 11.224 -6.290 29.640 1.00 0.00 O
ATOM 4560 N VAL A 295 10.175 -4.339 30.128 1.00 0.00 N
ATOM 4561 H VAL A 295 9.972 -3.393 29.840 1.00 0.00 H
ATOM 4562 CA VAL A 295 9.570 -4.771 31.397 1.00 0.00 C
ATOM 4563 HA VAL A 295 10.160 -5.582 31.824 1.00 0.00 H
ATOM 4564 CB VAL A 295 9.686 -3.640 32.469 1.00 0.00 C
ATOM 4565 HB VAL A 295 9.304 -2.707 32.056 1.00 0.00 H
ATOM 4566 CG1 VAL A 295 8.963 -4.004 33.762 1.00 0.00 C
ATOM 4567 1HG1 VAL A 295 9.069 -3.191 34.480 1.00 0.00 H
ATOM 4568 2HG1 VAL A 295 7.906 -4.169 33.554 1.00 0.00 H
ATOM 4569 3HG1 VAL A 295 9.397 -4.914 34.178 1.00 0.00 H
ATOM 4570 CG2 VAL A 295 11.153 -3.307 32.758 1.00 0.00 C
ATOM 4571 1HG2 VAL A 295 11.205 -2.517 33.508 1.00 0.00 H
ATOM 4572 2HG2 VAL A 295 11.661 -4.196 33.132 1.00 0.00 H
ATOM 4573 3HG2 VAL A 295 11.637 -2.970 31.842 1.00 0.00 H
ATOM 4574 C VAL A 295 8.119 -5.170 31.126 1.00 0.00 C
ATOM 4575 O VAL A 295 7.454 -4.543 30.297 1.00 0.00 O
ATOM 4576 N THR A 296 7.629 -6.214 31.828 1.00 0.00 N
ATOM 4577 H THR A 296 8.221 -6.703 32.484 1.00 0.00 H
ATOM 4578 CA THR A 296 6.258 -6.716 31.711 1.00 0.00 C
ATOM 4579 HA THR A 296 6.119 -7.168 30.729 1.00 0.00 H
ATOM 4580 CB THR A 296 6.021 -7.828 32.765 1.00 0.00 C
ATOM 4581 HB THR A 296 6.109 -7.405 33.766 1.00 0.00 H
ATOM 4582 CG2 THR A 296 4.630 -8.441 32.679 1.00 0.00 C
ATOM 4583 1HG2 THR A 296 4.524 -9.212 33.442 1.00 0.00 H
ATOM 4584 2HG2 THR A 296 3.880 -7.666 32.841 1.00 0.00 H
ATOM 4585 3HG2 THR A 296 4.487 -8.884 31.693 1.00 0.00 H
ATOM 4586 OG1 THR A 296 6.988 -8.847 32.564 1.00 0.00 O
ATOM 4587 HG1 THR A 296 6.856 -9.546 33.209 1.00 0.00 H
ATOM 4588 C THR A 296 5.273 -5.573 31.914 1.00 0.00 C
ATOM 4589 O THR A 296 5.476 -4.749 32.808 1.00 0.00 O
ATOM 4590 N ASN A 297 4.228 -5.516 31.064 1.00 0.00 N
ATOM 4591 H ASN A 297 4.157 -6.180 30.307 1.00 0.00 H
ATOM 4592 CA ASN A 297 3.136 -4.534 31.142 1.00 0.00 C
ATOM 4593 HA ASN A 297 2.370 -4.783 30.407 1.00 0.00 H
ATOM 4594 CB ASN A 297 2.264 -4.784 32.390 1.00 0.00 C
ATOM 4595 HB1 ASN A 297 2.874 -4.681 33.287 1.00 0.00 H
ATOM 4596 HB2 ASN A 297 1.452 -4.058 32.418 1.00 0.00 H
ATOM 4597 CG ASN A 297 1.643 -6.159 32.420 1.00 0.00 C
ATOM 4598 OD1 ASN A 297 1.633 -6.770 33.601 1.00 0.00 O
ATOM 4599 ND2 ASN A 297 1.156 -6.677 31.404 1.00 0.00 N
ATOM 4600 1HD2 ASN A 297 1.168 -6.176 30.527 1.00 0.00 H
ATOM 4601 2HD2 ASN A 297 0.746 -7.599 31.454 1.00 0.00 H
ATOM 4602 C ASN A 297 3.565 -3.061 31.050 1.00 0.00 C
ATOM 4603 O ASN A 297 2.821 -2.159 31.451 1.00 0.00 O
ATOM 4604 N GLN A 298 4.745 -2.826 30.480 1.00 0.00 N
ATOM 4605 H GLN A 298 5.295 -3.594 30.122 1.00 0.00 H
ATOM 4606 CA GLN A 298 5.307 -1.492 30.336 1.00 0.00 C
ATOM 4607 HA GLN A 298 4.608 -0.757 30.736 1.00 0.00 H
ATOM 4608 CB GLN A 298 6.606 -1.451 31.131 1.00 0.00 C
ATOM 4609 HB1 GLN A 298 6.412 -1.753 32.160 1.00 0.00 H
ATOM 4610 HB2 GLN A 298 7.328 -2.133 30.683 1.00 0.00 H
ATOM 4611 CG GLN A 298 7.272 -0.099 31.196 1.00 0.00 C
ATOM 4612 HG1 GLN A 298 7.745 0.119 30.238 1.00 0.00 H
ATOM 4613 HG2 GLN A 298 6.525 0.664 31.413 1.00 0.00 H
ATOM 4614 CD GLN A 298 8.333 -0.047 32.274 1.00 0.00 C
ATOM 4615 OE1 GLN A 298 9.461 0.394 32.042 1.00 0.00 O
ATOM 4616 NE2 GLN A 298 7.972 -0.422 33.497 1.00 0.00 N
ATOM 4617 1HE2 GLN A 298 7.024 -0.725 33.673 1.00 0.00 H
ATOM 4618 2HE2 GLN A 298 8.645 -0.405 34.250 1.00 0.00 H
ATOM 4619 C GLN A 298 5.581 -1.173 28.870 1.00 0.00 C
ATOM 4620 O GLN A 298 6.128 -2.004 28.163 1.00 0.00 O
ATOM 4621 N SER A 299 5.204 0.026 28.422 1.00 0.00 N
ATOM 4622 H SER A 299 4.708 0.660 29.032 1.00 0.00 H
ATOM 4623 CA SER A 299 5.484 0.475 27.057 1.00 0.00 C
ATOM 4624 HA SER A 299 6.156 -0.233 26.572 1.00 0.00 H
ATOM 4625 CB SER A 299 4.189 0.552 26.244 1.00 0.00 C
ATOM 4626 HB1 SER A 299 4.427 0.752 25.199 1.00 0.00 H
ATOM 4627 HB2 SER A 299 3.654 -0.395 26.320 1.00 0.00 H
ATOM 4628 OG SER A 299 3.308 1.576 26.685 1.00 0.00 O
ATOM 4629 HG SER A 299 3.745 2.428 26.613 1.00 0.00 H
ATOM 4630 C SER A 299 6.137 1.865 27.123 1.00 0.00 C
ATOM 4631 O SER A 299 6.218 2.475 28.195 1.00 0.00 O
ATOM 4632 N PHE A 300 6.560 2.371 25.973 1.00 0.00 N
ATOM 4633 H PHE A 300 6.533 1.809 25.134 1.00 0.00 H
ATOM 4634 CA PHE A 300 7.078 3.726 25.834 1.00 0.00 C
ATOM 4635 HA PHE A 300 6.760 4.326 26.686 1.00 0.00 H
ATOM 4636 CB PHE A 300 8.627 3.750 25.919 1.00 0.00 C
ATOM 4637 HB1 PHE A 300 8.973 4.784 25.947 1.00 0.00 H
ATOM 4638 HB2 PHE A 300 8.950 3.235 26.823 1.00 0.00 H
ATOM 4639 CG PHE A 300 9.357 3.090 24.772 1.00 0.00 C
ATOM 4640 CD1 PHE A 300 9.738 3.824 23.646 1.00 0.00 C
ATOM 4641 HD1 PHE A 300 9.495 4.874 23.578 1.00 0.00 H
ATOM 4642 CE1 PHE A 300 10.436 3.209 22.598 1.00 0.00 C
ATOM 4643 HE1 PHE A 300 10.759 3.792 21.748 1.00 0.00 H
ATOM 4644 CZ PHE A 300 10.710 1.856 22.654 1.00 0.00 C
ATOM 4645 HZ PHE A 300 11.208 1.371 21.827 1.00 0.00 H
ATOM 4646 CE2 PHE A 300 10.350 1.124 23.760 1.00 0.00 C
ATOM 4647 HE2 PHE A 300 10.584 0.070 23.810 1.00 0.00 H
ATOM 4648 CD2 PHE A 300 9.681 1.744 24.823 1.00 0.00 C
ATOM 4649 HD2 PHE A 300 9.416 1.157 25.690 1.00 0.00 H
ATOM 4650 C PHE A 300 6.560 4.253 24.494 1.00 0.00 C
ATOM 4651 O PHE A 300 6.062 3.481 23.686 1.00 0.00 O
ATOM 4652 N ARG A 301 6.682 5.541 24.250 1.00 0.00 N
ATOM 4653 H ARG A 301 7.079 6.152 24.950 1.00 0.00 H
ATOM 4654 CA ARG A 301 6.232 6.053 22.952 1.00 0.00 C
ATOM 4655 HA ARG A 301 5.886 5.225 22.334 1.00 0.00 H
ATOM 4656 CB ARG A 301 4.947 6.917 23.094 1.00 0.00 C
ATOM 4657 HB1 ARG A 301 4.622 7.251 22.108 1.00 0.00 H
ATOM 4658 HB2 ARG A 301 4.158 6.323 23.554 1.00 0.00 H
ATOM 4659 CG ARG A 301 5.147 8.154 23.952 1.00 0.00 C
ATOM 4660 HG1 ARG A 301 5.506 7.859 24.938 1.00 0.00 H
ATOM 4661 HG2 ARG A 301 5.880 8.809 23.481 1.00 0.00 H
ATOM 4662 CD ARG A 301 3.855 8.938 24.132 1.00 0.00 C
ATOM 4663 HD1 ARG A 301 3.452 9.204 23.154 1.00 0.00 H
ATOM 4664 HD2 ARG A 301 3.130 8.327 24.669 1.00 0.00 H
ATOM 4665 NE ARG A 301 4.102 10.162 24.893 1.00 0.00 N
ATOM 4666 HE ARG A 301 5.029 10.550 24.787 1.00 0.00 H
ATOM 4667 CZ ARG A 301 3.217 10.763 25.680 1.00 0.00 C
ATOM 4668 NH1 ARG A 301 1.988 10.279 25.799 1.00 0.00 N
ATOM 4669 1HH1 ARG A 301 1.720 9.449 25.289 1.00 0.00 H
ATOM 4670 2HH1 ARG A 301 1.319 10.741 26.398 1.00 0.00 H
ATOM 4671 NH2 ARG A 301 3.550 11.862 26.342 1.00 0.00 N
ATOM 4672 1HH2 ARG A 301 4.480 12.245 26.250 1.00 0.00 H
ATOM 4673 2HH2 ARG A 301 2.874 12.315 26.940 1.00 0.00 H
ATOM 4674 C ARG A 301 7.308 6.846 22.244 1.00 0.00 C
ATOM 4675 O ARG A 301 8.157 7.472 22.866 1.00 0.00 O
ATOM 4676 N ILE A 302 7.217 6.881 20.926 1.00 0.00 N
ATOM 4677 H ILE A 302 6.529 6.312 20.452 1.00 0.00 H
ATOM 4678 CA ILE A 302 8.085 7.724 20.096 1.00 0.00 C
ATOM 4679 HA ILE A 302 8.805 8.241 20.731 1.00 0.00 H
ATOM 4680 CB ILE A 302 8.995 6.913 19.122 1.00 0.00 C
ATOM 4681 HB ILE A 302 9.738 7.576 18.681 1.00 0.00 H
ATOM 4682 CG2 ILE A 302 9.926 5.981 19.915 1.00 0.00 C
ATOM 4683 1HG2 ILE A 302 10.555 5.421 19.224 1.00 0.00 H
ATOM 4684 2HG2 ILE A 302 10.555 6.575 20.579 1.00 0.00 H
ATOM 4685 3HG2 ILE A 302 9.329 5.287 20.507 1.00 0.00 H
ATOM 4686 CG1 ILE A 302 8.170 6.145 18.053 1.00 0.00 C
ATOM 4687 1HG1 ILE A 302 7.596 5.354 18.535 1.00 0.00 H
ATOM 4688 2HG1 ILE A 302 7.489 6.835 17.555 1.00 0.00 H
ATOM 4689 CD ILE A 302 9.034 5.474 16.944 1.00 0.00 C
ATOM 4690 HD1 ILE A 302 8.382 4.959 16.238 1.00 0.00 H
ATOM 4691 HD2 ILE A 302 9.608 6.236 16.418 1.00 0.00 H
ATOM 4692 HD3 ILE A 302 9.715 4.755 17.399 1.00 0.00 H
ATOM 4693 C ILE A 302 7.081 8.631 19.378 1.00 0.00 C
ATOM 4694 O ILE A 302 6.010 8.168 18.958 1.00 0.00 O
ATOM 4695 N THR A 303 7.383 9.922 19.349 1.00 0.00 N
ATOM 4696 H THR A 303 8.260 10.244 19.733 1.00 0.00 H
ATOM 4697 CA THR A 303 6.489 10.902 18.777 1.00 0.00 C
ATOM 4698 HA THR A 303 5.584 10.407 18.424 1.00 0.00 H
ATOM 4699 CB THR A 303 6.010 11.896 19.873 1.00 0.00 C
ATOM 4700 HB THR A 303 6.873 12.395 20.314 1.00 0.00 H
ATOM 4701 CG2 THR A 303 5.049 12.928 19.300 1.00 0.00 C
ATOM 4702 1HG2 THR A 303 4.732 13.608 20.091 1.00 0.00 H
ATOM 4703 2HG2 THR A 303 5.550 13.493 18.514 1.00 0.00 H
ATOM 4704 3HG2 THR A 303 4.177 12.422 18.885 1.00 0.00 H
ATOM 4705 OG1 THR A 303 5.320 11.156 20.896 1.00 0.00 O
ATOM 4706 HG1 THR A 303 5.915 10.509 21.280 1.00 0.00 H
ATOM 4707 C THR A 303 7.209 11.625 17.651 1.00 0.00 C
ATOM 4708 O THR A 303 8.315 12.118 17.859 1.00 0.00 O
ATOM 4709 N ILE A 304 6.567 11.718 16.484 1.00 0.00 N
ATOM 4710 H ILE A 304 5.650 11.308 16.378 1.00 0.00 H
ATOM 4711 CA ILE A 304 7.152 12.399 15.343 1.00 0.00 C
ATOM 4712 HA ILE A 304 8.176 12.688 15.578 1.00 0.00 H
ATOM 4713 CB ILE A 304 7.383 11.471 14.109 1.00 0.00 C
ATOM 4714 HB ILE A 304 8.004 11.987 13.377 1.00 0.00 H
ATOM 4715 CG2 ILE A 304 8.366 10.309 14.425 1.00 0.00 C
ATOM 4716 1HG2 ILE A 304 8.495 9.690 13.537 1.00 0.00 H
ATOM 4717 2HG2 ILE A 304 9.330 10.719 14.725 1.00 0.00 H
ATOM 4718 3HG2 ILE A 304 7.963 9.701 15.235 1.00 0.00 H
ATOM 4719 CG1 ILE A 304 6.066 10.969 13.545 1.00 0.00 C
ATOM 4720 1HG1 ILE A 304 5.665 10.190 14.194 1.00 0.00 H
ATOM 4721 2HG1 ILE A 304 5.356 11.795 13.489 1.00 0.00 H
ATOM 4722 CD ILE A 304 6.201 10.387 12.161 1.00 0.00 C
ATOM 4723 HD1 ILE A 304 5.226 10.047 11.813 1.00 0.00 H
ATOM 4724 HD2 ILE A 304 6.582 11.150 11.481 1.00 0.00 H
ATOM 4725 HD3 ILE A 304 6.892 9.545 12.186 1.00 0.00 H
ATOM 4726 C ILE A 304 6.283 13.578 14.964 1.00 0.00 C
ATOM 4727 O ILE A 304 5.085 13.615 15.251 1.00 0.00 O
ATOM 4728 N LEU A 305 6.905 14.521 14.296 1.00 0.00 N
ATOM 4729 H LEU A 305 7.877 14.407 14.049 1.00 0.00 H
ATOM 4730 CA LEU A 305 6.257 15.733 13.888 1.00 0.00 C
ATOM 4731 HA LEU A 305 5.291 15.815 14.386 1.00 0.00 H
ATOM 4732 CB LEU A 305 7.266 16.872 14.130 1.00 0.00 C
ATOM 4733 HB1 LEU A 305 8.122 16.747 13.466 1.00 0.00 H
ATOM 4734 HB2 LEU A 305 6.788 17.831 13.928 1.00 0.00 H
ATOM 4735 CG LEU A 305 7.875 17.021 15.539 1.00 0.00 C
ATOM 4736 HG LEU A 305 8.434 16.119 15.791 1.00 0.00 H
ATOM 4737 CD1 LEU A 305 8.816 18.210 15.545 1.00 0.00 C
ATOM 4738 1HD1 LEU A 305 9.253 18.324 16.537 1.00 0.00 H
ATOM 4739 2HD1 LEU A 305 9.610 18.049 14.815 1.00 0.00 H
ATOM 4740 3HD1 LEU A 305 8.263 19.113 15.285 1.00 0.00 H
ATOM 4741 CD2 LEU A 305 6.775 17.259 16.578 1.00 0.00 C
ATOM 4742 1HD2 LEU A 305 7.223 17.361 17.566 1.00 0.00 H
ATOM 4743 2HD2 LEU A 305 6.231 18.171 16.329 1.00 0.00 H
ATOM 4744 3HD2 LEU A 305 6.085 16.414 16.577 1.00 0.00 H
ATOM 4745 C LEU A 305 5.965 15.689 12.406 1.00 0.00 C
ATOM 4746 O LEU A 305 6.536 14.859 11.706 1.00 0.00 O
ATOM 4747 N PRO A 306 5.138 16.627 11.891 1.00 0.00 N
ATOM 4748 CD PRO A 306 4.362 17.664 12.615 1.00 0.00 C
ATOM 4749 HD1 PRO A 306 4.958 18.054 13.440 1.00 0.00 H
ATOM 4750 HD2 PRO A 306 3.444 17.224 13.006 1.00 0.00 H
ATOM 4751 CG PRO A 306 4.097 18.694 11.567 1.00 0.00 C
ATOM 4752 HG1 PRO A 306 4.909 19.418 11.496 1.00 0.00 H
ATOM 4753 HG2 PRO A 306 3.158 19.219 11.743 1.00 0.00 H
ATOM 4754 CB PRO A 306 4.002 17.901 10.256 1.00 0.00 C
ATOM 4755 HB1 PRO A 306 4.310 18.503 9.400 1.00 0.00 H
ATOM 4756 HB2 PRO A 306 2.995 17.521 10.089 1.00 0.00 H
ATOM 4757 CA PRO A 306 4.967 16.730 10.428 1.00 0.00 C
ATOM 4758 HA PRO A 306 4.551 15.798 10.044 1.00 0.00 H
ATOM 4759 C PRO A 306 6.312 16.995 9.730 1.00 0.00 C
ATOM 4760 O PRO A 306 6.452 16.638 8.569 1.00 0.00 O
ATOM 4761 N GLN A 307 7.313 17.610 10.427 1.00 0.00 N
ATOM 4762 H GLN A 307 7.143 17.946 11.364 1.00 0.00 H
ATOM 4763 CA GLN A 307 8.662 17.809 9.859 1.00 0.00 C
ATOM 4764 HA GLN A 307 8.606 18.514 9.030 1.00 0.00 H
ATOM 4765 CB GLN A 307 9.594 18.642 10.766 1.00 0.00 C
ATOM 4766 HB1 GLN A 307 9.519 18.283 11.792 1.00 0.00 H
ATOM 4767 HB2 GLN A 307 10.623 18.541 10.420 1.00 0.00 H
ATOM 4768 CG GLN A 307 9.229 20.148 10.756 1.00 0.00 C
ATOM 4769 HG1 GLN A 307 10.135 20.742 10.879 1.00 0.00 H
ATOM 4770 HG2 GLN A 307 8.754 20.401 9.808 1.00 0.00 H
ATOM 4771 CD GLN A 307 8.280 20.526 11.860 1.00 0.00 C
ATOM 4772 OE1 GLN A 307 7.486 19.715 12.362 1.00 0.00 O
ATOM 4773 NE2 GLN A 307 8.315 21.795 12.234 1.00 0.00 N
ATOM 4774 1HE2 GLN A 307 8.951 22.437 11.784 1.00 0.00 H
ATOM 4775 2HE2 GLN A 307 7.704 22.121 12.970 1.00 0.00 H
ATOM 4776 C GLN A 307 9.305 16.482 9.482 1.00 0.00 C
ATOM 4777 O GLN A 307 10.184 16.466 8.638 1.00 0.00 O
ATOM 4778 N GLN A 308 8.858 15.364 10.085 1.00 0.00 N
ATOM 4779 H GLN A 308 8.176 15.428 10.828 1.00 0.00 H
ATOM 4780 CA GLN A 308 9.343 14.032 9.686 1.00 0.00 C
ATOM 4781 HA GLN A 308 10.353 14.118 9.285 1.00 0.00 H
ATOM 4782 CB GLN A 308 9.415 13.047 10.881 1.00 0.00 C
ATOM 4783 HB1 GLN A 308 8.529 13.167 11.505 1.00 0.00 H
ATOM 4784 HB2 GLN A 308 9.460 12.024 10.507 1.00 0.00 H
ATOM 4785 CG GLN A 308 10.632 13.235 11.802 1.00 0.00 C
ATOM 4786 HG1 GLN A 308 10.714 12.381 12.475 1.00 0.00 H
ATOM 4787 HG2 GLN A 308 11.537 13.310 11.199 1.00 0.00 H
ATOM 4788 CD GLN A 308 10.566 14.469 12.658 1.00 0.00 C
ATOM 4789 OE1 GLN A 308 9.671 14.635 13.513 1.00 0.00 O
ATOM 4790 NE2 GLN A 308 11.515 15.372 12.447 1.00 0.00 N
ATOM 4791 1HE2 GLN A 308 12.222 15.207 11.745 1.00 0.00 H
ATOM 4792 2HE2 GLN A 308 11.530 16.225 12.987 1.00 0.00 H
ATOM 4793 C GLN A 308 8.423 13.429 8.630 1.00 0.00 C
ATOM 4794 O GLN A 308 8.930 12.881 7.667 1.00 0.00 O
ATOM 4795 N TYR A 309 7.080 13.512 8.800 1.00 0.00 N
ATOM 4796 H TYR A 309 6.701 14.032 9.579 1.00 0.00 H
ATOM 4797 CA TYR A 309 6.188 12.840 7.842 1.00 0.00 C
ATOM 4798 HA TYR A 309 6.499 11.803 7.721 1.00 0.00 H
ATOM 4799 CB TYR A 309 5.005 12.126 8.516 1.00 0.00 C
ATOM 4800 HB1 TYR A 309 4.480 11.517 7.780 1.00 0.00 H
ATOM 4801 HB2 TYR A 309 5.374 11.487 9.318 1.00 0.00 H
ATOM 4802 CG TYR A 309 3.975 13.053 9.132 1.00 0.00 C
ATOM 4803 CD1 TYR A 309 3.033 13.715 8.337 1.00 0.00 C
ATOM 4804 HD1 TYR A 309 3.049 13.591 7.264 1.00 0.00 H
ATOM 4805 CE1 TYR A 309 2.063 14.541 8.903 1.00 0.00 C
ATOM 4806 HE1 TYR A 309 1.378 15.083 8.268 1.00 0.00 H
ATOM 4807 CZ TYR A 309 1.984 14.660 10.283 1.00 0.00 C
ATOM 4808 OH TYR A 309 1.019 15.436 10.836 1.00 0.00 O
ATOM 4809 HH TYR A 309 1.138 15.468 11.788 1.00 0.00 H
ATOM 4810 CE2 TYR A 309 2.905 14.021 11.090 1.00 0.00 C
ATOM 4811 HE2 TYR A 309 2.887 14.165 12.160 1.00 0.00 H
ATOM 4812 CD2 TYR A 309 3.867 13.180 10.512 1.00 0.00 C
ATOM 4813 HD2 TYR A 309 4.531 12.626 11.159 1.00 0.00 H
ATOM 4814 C TYR A 309 5.806 13.590 6.563 1.00 0.00 C
ATOM 4815 O TYR A 309 5.157 12.996 5.702 1.00 0.00 O
ATOM 4816 N LEU A 310 6.219 14.874 6.436 1.00 0.00 N
ATOM 4817 H LEU A 310 6.643 15.347 7.221 1.00 0.00 H
ATOM 4818 CA LEU A 310 6.094 15.666 5.194 1.00 0.00 C
ATOM 4819 HA LEU A 310 5.389 15.177 4.521 1.00 0.00 H
ATOM 4820 CB LEU A 310 5.489 17.058 5.438 1.00 0.00 C
ATOM 4821 HB1 LEU A 310 6.141 17.627 6.100 1.00 0.00 H
ATOM 4822 HB2 LEU A 310 5.389 17.583 4.488 1.00 0.00 H
ATOM 4823 CG LEU A 310 4.097 17.083 6.086 1.00 0.00 C
ATOM 4824 HG LEU A 310 4.168 16.729 7.115 1.00 0.00 H
ATOM 4825 CD1 LEU A 310 3.529 18.492 6.079 1.00 0.00 C
ATOM 4826 1HD1 LEU A 310 2.543 18.490 6.543 1.00 0.00 H
ATOM 4827 2HD1 LEU A 310 4.191 19.154 6.638 1.00 0.00 H
ATOM 4828 3HD1 LEU A 310 3.446 18.846 5.052 1.00 0.00 H
ATOM 4829 CD2 LEU A 310 3.131 16.169 5.342 1.00 0.00 C
ATOM 4830 1HD2 LEU A 310 2.152 16.205 5.821 1.00 0.00 H
ATOM 4831 2HD2 LEU A 310 3.040 16.501 4.307 1.00 0.00 H
ATOM 4832 3HD2 LEU A 310 3.507 15.146 5.363 1.00 0.00 H
ATOM 4833 C LEU A 310 7.511 15.751 4.631 1.00 0.00 C
ATOM 4834 O LEU A 310 8.403 16.341 5.256 1.00 0.00 O
ATOM 4835 N ARG A 311 7.735 15.084 3.497 1.00 0.00 N
ATOM 4836 H ARG A 311 6.970 14.633 3.017 1.00 0.00 H
ATOM 4837 CA ARG A 311 9.078 14.968 2.890 1.00 0.00 C
ATOM 4838 HA ARG A 311 9.826 14.868 3.677 1.00 0.00 H
ATOM 4839 CB ARG A 311 9.197 13.599 2.185 1.00 0.00 C
ATOM 4840 HB1 ARG A 311 8.963 12.803 2.892 1.00 0.00 H
ATOM 4841 HB2 ARG A 311 8.498 13.558 1.349 1.00 0.00 H
ATOM 4842 CG ARG A 311 10.569 13.276 1.614 1.00 0.00 C
ATOM 4843 HG1 ARG A 311 10.770 13.926 0.762 1.00 0.00 H
ATOM 4844 HG2 ARG A 311 11.328 13.436 2.380 1.00 0.00 H
ATOM 4845 CD ARG A 311 10.657 11.819 1.143 1.00 0.00 C
ATOM 4846 HD1 ARG A 311 11.670 11.608 0.800 1.00 0.00 H
ATOM 4847 HD2 ARG A 311 10.408 11.154 1.969 1.00 0.00 H
ATOM 4848 NE ARG A 311 9.740 11.524 0.038 1.00 0.00 N
ATOM 4849 HE ARG A 311 8.853 11.118 0.301 1.00 0.00 H
ATOM 4850 CZ ARG A 311 10.010 11.758 -1.243 1.00 0.00 C
ATOM 4851 NH1 ARG A 311 11.166 12.298 -1.596 1.00 0.00 N
ATOM 4852 1HH1 ARG A 311 11.850 12.534 -0.891 1.00 0.00 H
ATOM 4853 2HH1 ARG A 311 11.365 12.473 -2.571 1.00 0.00 H
ATOM 4854 NH2 ARG A 311 9.120 11.465 -2.177 1.00 0.00 N
ATOM 4855 1HH2 ARG A 311 8.231 11.062 -1.918 1.00 0.00 H
ATOM 4856 2HH2 ARG A 311 9.329 11.644 -3.149 1.00 0.00 H
ATOM 4857 C ARG A 311 9.367 16.134 1.958 1.00 0.00 C
ATOM 4858 O ARG A 311 8.629 16.345 0.993 1.00 0.00 O
ATOM 4859 N PRO A 312 10.421 16.921 2.245 1.00 0.00 N
ATOM 4860 CD PRO A 312 11.372 16.807 3.369 1.00 0.00 C
ATOM 4861 HD1 PRO A 312 12.090 16.013 3.160 1.00 0.00 H
ATOM 4862 HD2 PRO A 312 10.828 16.572 4.284 1.00 0.00 H
ATOM 4863 CG PRO A 312 12.009 18.152 3.417 1.00 0.00 C
ATOM 4864 HG1 PRO A 312 13.055 18.061 3.710 1.00 0.00 H
ATOM 4865 HG2 PRO A 312 11.487 18.789 4.130 1.00 0.00 H
ATOM 4866 CB PRO A 312 11.926 18.745 2.077 1.00 0.00 C
ATOM 4867 HB1 PRO A 312 12.827 18.538 1.500 1.00 0.00 H
ATOM 4868 HB2 PRO A 312 11.772 19.823 2.136 1.00 0.00 H
ATOM 4869 CA PRO A 312 10.723 18.094 1.396 1.00 0.00 C
ATOM 4870 HA PRO A 312 9.860 18.760 1.375 1.00 0.00 H
ATOM 4871 C PRO A 312 11.051 17.692 -0.032 1.00 0.00 C
ATOM 4872 O PRO A 312 11.777 16.716 -0.255 1.00 0.00 O
ATOM 4873 N VAL A 313 10.429 18.365 -0.995 1.00 0.00 N
ATOM 4874 H VAL A 313 9.773 19.096 -0.758 1.00 0.00 H
ATOM 4875 CA VAL A 313 10.683 18.061 -2.417 1.00 0.00 C
ATOM 4876 HA VAL A 313 11.532 17.382 -2.498 1.00 0.00 H
ATOM 4877 CB VAL A 313 9.626 17.121 -3.094 1.00 0.00 C
ATOM 4878 HB VAL A 313 9.766 17.134 -4.174 1.00 0.00 H
ATOM 4879 CG1 VAL A 313 9.650 15.703 -2.507 1.00 0.00 C
ATOM 4880 1HG1 VAL A 313 8.901 15.090 -3.008 1.00 0.00 H
ATOM 4881 2HG1 VAL A 313 10.637 15.265 -2.657 1.00 0.00 H
ATOM 4882 3HG1 VAL A 313 9.430 15.746 -1.441 1.00 0.00 H
ATOM 4883 CG2 VAL A 313 8.226 17.708 -3.053 1.00 0.00 C
ATOM 4884 1HG2 VAL A 313 7.530 17.021 -3.533 1.00 0.00 H
ATOM 4885 2HG2 VAL A 313 7.927 17.863 -2.017 1.00 0.00 H
ATOM 4886 3HG2 VAL A 313 8.217 18.662 -3.580 1.00 0.00 H
ATOM 4887 C VAL A 313 10.836 19.391 -3.156 1.00 0.00 C
ATOM 4888 O VAL A 313 10.276 20.397 -2.737 1.00 0.00 O
ATOM 4889 N GLU A 314 11.633 19.418 -4.203 1.00 0.00 N
ATOM 4890 H GLU A 314 12.129 18.583 -4.481 1.00 0.00 H
ATOM 4891 CA GLU A 314 11.809 20.642 -4.970 1.00 0.00 C
ATOM 4892 HA GLU A 314 11.946 21.482 -4.288 1.00 0.00 H
ATOM 4893 CB GLU A 314 13.104 20.572 -5.825 1.00 0.00 C
ATOM 4894 HB1 GLU A 314 13.967 20.456 -5.169 1.00 0.00 H
ATOM 4895 HB2 GLU A 314 13.046 19.720 -6.503 1.00 0.00 H
ATOM 4896 CG GLU A 314 13.386 21.792 -6.692 1.00 0.00 C
ATOM 4897 HG1 GLU A 314 14.348 21.671 -7.190 1.00 0.00 H
ATOM 4898 HG2 GLU A 314 12.601 21.895 -7.441 1.00 0.00 H
ATOM 4899 CD GLU A 314 13.451 23.114 -5.962 1.00 0.00 C
ATOM 4900 OE1 GLU A 314 12.397 23.595 -5.491 1.00 0.00 O
ATOM 4901 OE2 GLU A 314 14.563 23.668 -5.847 1.00 0.00 O
ATOM 4902 C GLU A 314 10.576 20.820 -5.848 1.00 0.00 C
ATOM 4903 O GLU A 314 10.057 19.833 -6.381 1.00 0.00 O
ATOM 4904 N ASP A 315 10.078 22.053 -5.951 1.00 0.00 N
ATOM 4905 H ASP A 315 10.514 22.816 -5.454 1.00 0.00 H
ATOM 4906 CA ASP A 315 8.901 22.342 -6.772 1.00 0.00 C
ATOM 4907 HA ASP A 315 8.066 21.723 -6.442 1.00 0.00 H
ATOM 4908 CB ASP A 315 8.444 23.796 -6.582 1.00 0.00 C
ATOM 4909 HB1 ASP A 315 8.171 23.959 -5.539 1.00 0.00 H
ATOM 4910 HB2 ASP A 315 9.255 24.472 -6.854 1.00 0.00 H
ATOM 4911 CG ASP A 315 7.243 24.206 -7.411 1.00 0.00 C
ATOM 4912 OD1 ASP A 315 6.311 23.385 -7.557 1.00 0.00 O
ATOM 4913 OD2 ASP A 315 7.251 25.329 -7.946 1.00 0.00 O
ATOM 4914 C ASP A 315 9.217 22.083 -8.243 1.00 0.00 C
ATOM 4915 O ASP A 315 10.346 22.321 -8.681 1.00 0.00 O
ATOM 4916 N VAL A 316 8.214 21.593 -8.996 1.00 0.00 N
ATOM 4917 H VAL A 316 7.320 21.388 -8.574 1.00 0.00 H
ATOM 4918 CA VAL A 316 8.283 21.310 -10.440 1.00 0.00 C
ATOM 4919 HA VAL A 316 8.888 20.419 -10.608 1.00 0.00 H
ATOM 4920 CB VAL A 316 6.900 20.852 -10.996 1.00 0.00 C
ATOM 4921 HB VAL A 316 6.163 21.638 -10.831 1.00 0.00 H
ATOM 4922 CG1 VAL A 316 6.989 20.465 -12.471 1.00 0.00 C
ATOM 4923 1HG1 VAL A 316 6.007 20.151 -12.825 1.00 0.00 H
ATOM 4924 2HG1 VAL A 316 7.326 21.323 -13.052 1.00 0.00 H
ATOM 4925 3HG1 VAL A 316 7.697 19.645 -12.590 1.00 0.00 H
ATOM 4926 CG2 VAL A 316 6.321 19.698 -10.174 1.00 0.00 C
ATOM 4927 1HG2 VAL A 316 5.357 19.403 -10.588 1.00 0.00 H
ATOM 4928 2HG2 VAL A 316 7.005 18.849 -10.207 1.00 0.00 H
ATOM 4929 3HG2 VAL A 316 6.189 20.017 -9.140 1.00 0.00 H
ATOM 4930 C VAL A 316 8.821 22.547 -11.203 1.00 0.00 C
ATOM 4931 O VAL A 316 9.557 22.398 -12.182 1.00 0.00 O
ATOM 4932 N ALA A 317 8.475 23.760 -10.719 1.00 0.00 N
ATOM 4933 H ALA A 317 7.876 23.828 -9.909 1.00 0.00 H
ATOM 4934 CA ALA A 317 8.915 25.028 -11.295 1.00 0.00 C
ATOM 4935 HA ALA A 317 9.095 24.900 -12.362 1.00 0.00 H
ATOM 4936 CB ALA A 317 7.778 26.039 -11.240 1.00 0.00 C
ATOM 4937 HB1 ALA A 317 8.111 26.984 -11.671 1.00 0.00 H
ATOM 4938 HB2 ALA A 317 6.928 25.661 -11.807 1.00 0.00 H
ATOM 4939 HB3 ALA A 317 7.482 26.198 -10.204 1.00 0.00 H
ATOM 4940 C ALA A 317 10.168 25.588 -10.597 1.00 0.00 C
ATOM 4941 O ALA A 317 10.510 26.756 -10.817 1.00 0.00 O
ATOM 4942 N THR A 318 10.849 24.760 -9.754 1.00 0.00 N
ATOM 4943 H THR A 318 10.542 23.806 -9.625 1.00 0.00 H
ATOM 4944 CA THR A 318 12.052 25.108 -8.958 1.00 0.00 C
ATOM 4945 HA THR A 318 12.281 24.295 -8.269 1.00 0.00 H
ATOM 4946 CB THR A 318 13.350 24.995 -9.794 1.00 0.00 C
ATOM 4947 HB THR A 318 14.210 25.224 -9.164 1.00 0.00 H
ATOM 4948 CG2 THR A 318 13.672 23.557 -10.200 1.00 0.00 C
ATOM 4949 1HG2 THR A 318 14.593 23.541 -10.784 1.00 0.00 H
ATOM 4950 2HG2 THR A 318 13.799 22.946 -9.307 1.00 0.00 H
ATOM 4951 3HG2 THR A 318 12.855 23.156 -10.801 1.00 0.00 H
ATOM 4952 OG1 THR A 318 13.261 25.843 -10.940 1.00 0.00 O
ATOM 4953 HG1 THR A 318 12.512 25.576 -11.478 1.00 0.00 H
ATOM 4954 C THR A 318 11.912 26.481 -8.275 1.00 0.00 C
ATOM 4955 O THR A 318 12.912 27.169 -8.032 1.00 0.00 O
ATOM 4956 N SER A 319 10.649 26.873 -8.004 1.00 0.00 N
ATOM 4957 H SER A 319 9.874 26.262 -8.218 1.00 0.00 H
ATOM 4958 CA SER A 319 10.228 28.137 -7.407 1.00 0.00 C
ATOM 4959 HA SER A 319 10.512 28.961 -8.063 1.00 0.00 H
ATOM 4960 CB SER A 319 8.707 28.142 -7.243 1.00 0.00 C
ATOM 4961 HB1 SER A 319 8.379 29.131 -6.921 1.00 0.00 H
ATOM 4962 HB2 SER A 319 8.238 27.897 -8.196 1.00 0.00 H
ATOM 4963 OG SER A 319 8.304 27.185 -6.272 1.00 0.00 O
ATOM 4964 HG SER A 319 7.897 26.435 -6.711 1.00 0.00 H
ATOM 4965 C SER A 319 10.866 28.357 -6.046 1.00 0.00 C
ATOM 4966 O SER A 319 11.629 27.512 -5.565 1.00 0.00 O
ATOM 4967 N GLN A 320 10.483 29.456 -5.385 1.00 0.00 N
ATOM 4968 H GLN A 320 9.850 30.111 -5.820 1.00 0.00 H
ATOM 4969 CA GLN A 320 10.970 29.720 -4.043 1.00 0.00 C
ATOM 4970 HA GLN A 320 11.969 29.300 -3.929 1.00 0.00 H
ATOM 4971 CB GLN A 320 11.253 31.203 -3.845 1.00 0.00 C
ATOM 4972 HB1 GLN A 320 10.351 31.777 -4.055 1.00 0.00 H
ATOM 4973 HB2 GLN A 320 11.564 31.379 -2.815 1.00 0.00 H
ATOM 4974 CG GLN A 320 12.357 31.682 -4.771 1.00 0.00 C
ATOM 4975 HG1 GLN A 320 13.187 30.976 -4.744 1.00 0.00 H
ATOM 4976 HG2 GLN A 320 11.973 31.753 -5.789 1.00 0.00 H
ATOM 4977 CD GLN A 320 12.881 33.029 -4.379 1.00 0.00 C
ATOM 4978 OE1 GLN A 320 12.213 33.816 -3.707 1.00 0.00 O
ATOM 4979 NE2 GLN A 320 14.084 33.322 -4.820 1.00 0.00 N
ATOM 4980 1HE2 GLN A 320 14.590 32.655 -5.385 1.00 0.00 H
ATOM 4981 2HE2 GLN A 320 14.502 34.213 -4.595 1.00 0.00 H
ATOM 4982 C GLN A 320 9.995 29.192 -3.003 1.00 0.00 C
ATOM 4983 O GLN A 320 10.180 29.433 -1.816 1.00 0.00 O
ATOM 4984 N ASP A 321 8.998 28.401 -3.434 1.00 0.00 N
ATOM 4985 H ASP A 321 8.901 28.202 -4.419 1.00 0.00 H
ATOM 4986 CA ASP A 321 8.038 27.815 -2.495 1.00 0.00 C
ATOM 4987 HA ASP A 321 7.701 28.580 -1.795 1.00 0.00 H
ATOM 4988 CB ASP A 321 6.793 27.323 -3.260 1.00 0.00 C
ATOM 4989 HB1 ASP A 321 7.103 26.850 -4.192 1.00 0.00 H
ATOM 4990 HB2 ASP A 321 6.253 26.601 -2.649 1.00 0.00 H
ATOM 4991 CG ASP A 321 5.783 28.403 -3.643 1.00 0.00 C
ATOM 4992 OD1 ASP A 321 6.059 29.593 -3.404 1.00 0.00 O
ATOM 4993 OD2 ASP A 321 4.691 28.048 -4.118 1.00 0.00 O
ATOM 4994 C ASP A 321 8.667 26.655 -1.733 1.00 0.00 C
ATOM 4995 O ASP A 321 9.582 26.018 -2.237 1.00 0.00 O
ATOM 4996 N ASP A 322 8.164 26.366 -0.521 1.00 0.00 N
ATOM 4997 H ASP A 322 7.466 26.968 -0.108 1.00 0.00 H
ATOM 4998 CA ASP A 322 8.587 25.195 0.247 1.00 0.00 C
ATOM 4999 HA ASP A 322 9.586 24.894 -0.069 1.00 0.00 H
ATOM 5000 CB ASP A 322 8.681 25.528 1.757 1.00 0.00 C
ATOM 5001 HB1 ASP A 322 7.758 26.006 2.082 1.00 0.00 H
ATOM 5002 HB2 ASP A 322 8.834 24.610 2.324 1.00 0.00 H
ATOM 5003 CG ASP A 322 9.837 26.473 2.076 1.00 0.00 C
ATOM 5004 OD1 ASP A 322 9.761 27.172 3.088 1.00 0.00 O
ATOM 5005 OD2 ASP A 322 10.781 26.563 1.256 1.00 0.00 O
ATOM 5006 C ASP A 322 7.533 24.136 -0.042 1.00 0.00 C
ATOM 5007 O ASP A 322 6.352 24.358 0.213 1.00 0.00 O
ATOM 5008 N CYS A 323 7.951 23.025 -0.626 1.00 0.00 N
ATOM 5009 H CYS A 323 8.937 22.884 -0.796 1.00 0.00 H
ATOM 5010 CA CYS A 323 7.056 21.945 -1.059 1.00 0.00 C
ATOM 5011 HA CYS A 323 6.022 22.231 -0.867 1.00 0.00 H
ATOM 5012 CB CYS A 323 7.088 21.800 -2.578 1.00 0.00 C
ATOM 5013 HB1 CYS A 323 8.067 21.436 -2.889 1.00 0.00 H
ATOM 5014 HB2 CYS A 323 6.321 21.092 -2.893 1.00 0.00 H
ATOM 5015 SG CYS A 323 6.787 23.340 -3.486 1.00 0.00 S
ATOM 5016 C CYS A 323 7.381 20.629 -0.400 1.00 0.00 C
ATOM 5017 O CYS A 323 8.543 20.343 -0.128 1.00 0.00 O
ATOM 5018 N TYR A 324 6.349 19.775 -0.262 1.00 0.00 N
ATOM 5019 H TYR A 324 5.439 20.020 -0.624 1.00 0.00 H
ATOM 5020 CA TYR A 324 6.451 18.465 0.400 1.00 0.00 C
ATOM 5021 HA TYR A 324 7.452 18.060 0.253 1.00 0.00 H
ATOM 5022 CB TYR A 324 6.053 18.597 1.892 1.00 0.00 C
ATOM 5023 HB1 TYR A 324 4.978 18.755 1.969 1.00 0.00 H
ATOM 5024 HB2 TYR A 324 6.325 17.684 2.423 1.00 0.00 H
ATOM 5025 CG TYR A 324 6.733 19.751 2.597 1.00 0.00 C
ATOM 5026 CD1 TYR A 324 6.210 21.040 2.521 1.00 0.00 C
ATOM 5027 HD1 TYR A 324 5.271 21.213 2.017 1.00 0.00 H
ATOM 5028 CE1 TYR A 324 6.871 22.120 3.080 1.00 0.00 C
ATOM 5029 HE1 TYR A 324 6.491 23.120 2.932 1.00 0.00 H
ATOM 5030 CZ TYR A 324 8.017 21.910 3.826 1.00 0.00 C
ATOM 5031 OH TYR A 324 8.592 23.003 4.390 1.00 0.00 O
ATOM 5032 HH TYR A 324 9.374 22.737 4.880 1.00 0.00 H
ATOM 5033 CE2 TYR A 324 8.549 20.631 3.954 1.00 0.00 C
ATOM 5034 HE2 TYR A 324 9.448 20.464 4.528 1.00 0.00 H
ATOM 5035 CD2 TYR A 324 7.907 19.556 3.330 1.00 0.00 C
ATOM 5036 HD2 TYR A 324 8.330 18.566 3.420 1.00 0.00 H
ATOM 5037 C TYR A 324 5.505 17.452 -0.187 1.00 0.00 C
ATOM 5038 O TYR A 324 4.450 17.824 -0.723 1.00 0.00 O
ATOM 5039 N LYS A 325 5.835 16.166 0.013 1.00 0.00 N
ATOM 5040 H LYS A 325 6.739 15.930 0.398 1.00 0.00 H
ATOM 5041 CA LYS A 325 4.948 15.060 -0.299 1.00 0.00 C
ATOM 5042 HA LYS A 325 4.054 15.439 -0.795 1.00 0.00 H
ATOM 5043 CB LYS A 325 5.624 14.049 -1.218 1.00 0.00 C
ATOM 5044 HB1 LYS A 325 6.680 13.971 -0.959 1.00 0.00 H
ATOM 5045 HB2 LYS A 325 5.149 13.075 -1.099 1.00 0.00 H
ATOM 5046 CG LYS A 325 5.507 14.476 -2.674 1.00 0.00 C
ATOM 5047 HG1 LYS A 325 4.458 14.633 -2.924 1.00 0.00 H
ATOM 5048 HG2 LYS A 325 6.059 15.403 -2.827 1.00 0.00 H
ATOM 5049 CD LYS A 325 6.067 13.430 -3.605 1.00 0.00 C
ATOM 5050 HD1 LYS A 325 7.073 13.159 -3.285 1.00 0.00 H
ATOM 5051 HD2 LYS A 325 5.430 12.546 -3.584 1.00 0.00 H
ATOM 5052 CE LYS A 325 6.128 13.957 -5.023 1.00 0.00 C
ATOM 5053 HE1 LYS A 325 5.119 14.178 -5.373 1.00 0.00 H
ATOM 5054 HE2 LYS A 325 6.728 14.867 -5.047 1.00 0.00 H
ATOM 5055 NZ LYS A 325 6.738 12.971 -5.949 1.00 0.00 N
ATOM 5056 HZ1 LYS A 325 7.190 13.458 -6.710 1.00 0.00 H
ATOM 5057 HZ2 LYS A 325 7.421 12.418 -5.451 1.00 0.00 H
ATOM 5058 HZ3 LYS A 325 6.019 12.365 -6.318 1.00 0.00 H
ATOM 5059 C LYS A 325 4.605 14.415 1.035 1.00 0.00 C
ATOM 5060 O LYS A 325 5.439 14.417 1.950 1.00 0.00 O
ATOM 5061 N PHE A 326 3.367 13.910 1.168 1.00 0.00 N
ATOM 5062 H PHE A 326 2.695 14.018 0.422 1.00 0.00 H
ATOM 5063 CA PHE A 326 2.937 13.196 2.370 1.00 0.00 C
ATOM 5064 HA PHE A 326 3.212 13.773 3.254 1.00 0.00 H
ATOM 5065 CB PHE A 326 1.418 12.953 2.268 1.00 0.00 C
ATOM 5066 HB1 PHE A 326 0.904 13.905 2.136 1.00 0.00 H
ATOM 5067 HB2 PHE A 326 1.209 12.307 1.415 1.00 0.00 H
ATOM 5068 CG PHE A 326 0.792 12.298 3.454 1.00 0.00 C
ATOM 5069 CD1 PHE A 326 0.897 12.871 4.726 1.00 0.00 C
ATOM 5070 HD1 PHE A 326 1.471 13.775 4.865 1.00 0.00 H
ATOM 5071 CE1 PHE A 326 0.269 12.289 5.824 1.00 0.00 C
ATOM 5072 HE1 PHE A 326 0.399 12.714 6.809 1.00 0.00 H
ATOM 5073 CZ PHE A 326 -0.522 11.165 5.656 1.00 0.00 C
ATOM 5074 HZ PHE A 326 -1.027 10.728 6.504 1.00 0.00 H
ATOM 5075 CE2 PHE A 326 -0.667 10.603 4.400 1.00 0.00 C
ATOM 5076 HE2 PHE A 326 -1.295 9.735 4.267 1.00 0.00 H
ATOM 5077 CD2 PHE A 326 0.003 11.160 3.301 1.00 0.00 C
ATOM 5078 HD2 PHE A 326 -0.097 10.698 2.330 1.00 0.00 H
ATOM 5079 C PHE A 326 3.685 11.862 2.378 1.00 0.00 C
ATOM 5080 O PHE A 326 3.555 11.076 1.428 1.00 0.00 O
ATOM 5081 N ALA A 327 4.489 11.613 3.425 1.00 0.00 N
ATOM 5082 H ALA A 327 4.520 12.258 4.202 1.00 0.00 H
ATOM 5083 CA ALA A 327 5.329 10.413 3.460 1.00 0.00 C
ATOM 5084 HA ALA A 327 5.526 10.077 2.442 1.00 0.00 H
ATOM 5085 CB ALA A 327 6.773 10.783 3.829 1.00 0.00 C
ATOM 5086 HB1 ALA A 327 7.386 9.882 3.851 1.00 0.00 H
ATOM 5087 HB2 ALA A 327 7.172 11.475 3.087 1.00 0.00 H
ATOM 5088 HB3 ALA A 327 6.788 11.257 4.811 1.00 0.00 H
ATOM 5089 C ALA A 327 4.799 9.295 4.338 1.00 0.00 C
ATOM 5090 O ALA A 327 5.564 8.571 4.984 1.00 0.00 O
ATOM 5091 N ILE A 328 3.470 9.144 4.340 1.00 0.00 N
ATOM 5092 H ILE A 328 2.885 9.814 3.862 1.00 0.00 H
ATOM 5093 CA ILE A 328 2.791 8.035 5.011 1.00 0.00 C
ATOM 5094 HA ILE A 328 3.530 7.387 5.482 1.00 0.00 H
ATOM 5095 CB ILE A 328 1.922 8.468 6.210 1.00 0.00 C
ATOM 5096 HB ILE A 328 1.022 8.966 5.846 1.00 0.00 H
ATOM 5097 CG2 ILE A 328 1.260 7.225 6.876 1.00 0.00 C
ATOM 5098 1HG2 ILE A 328 0.650 7.546 7.720 1.00 0.00 H
ATOM 5099 2HG2 ILE A 328 0.631 6.713 6.148 1.00 0.00 H
ATOM 5100 3HG2 ILE A 328 2.036 6.544 7.227 1.00 0.00 H
ATOM 5101 CG1 ILE A 328 2.717 9.325 7.219 1.00 0.00 C
ATOM 5102 1HG1 ILE A 328 3.532 8.733 7.635 1.00 0.00 H
ATOM 5103 2HG1 ILE A 328 3.124 10.199 6.712 1.00 0.00 H
ATOM 5104 CD ILE A 328 1.864 9.846 8.425 1.00 0.00 C
ATOM 5105 HD1 ILE A 328 2.496 10.439 9.088 1.00 0.00 H
ATOM 5106 HD2 ILE A 328 1.048 10.465 8.053 1.00 0.00 H
ATOM 5107 HD3 ILE A 328 1.456 8.999 8.976 1.00 0.00 H
ATOM 5108 C ILE A 328 1.970 7.356 3.928 1.00 0.00 C
ATOM 5109 O ILE A 328 1.273 8.033 3.162 1.00 0.00 O
ATOM 5110 N SER A 329 2.095 6.029 3.815 1.00 0.00 N
ATOM 5111 H SER A 329 2.672 5.519 4.469 1.00 0.00 H
ATOM 5112 CA SER A 329 1.395 5.315 2.744 1.00 0.00 C
ATOM 5113 HA SER A 329 0.567 5.924 2.380 1.00 0.00 H
ATOM 5114 CB SER A 329 2.279 5.219 1.508 1.00 0.00 C
ATOM 5115 HB1 SER A 329 1.775 4.627 0.745 1.00 0.00 H
ATOM 5116 HB2 SER A 329 2.473 6.220 1.121 1.00 0.00 H
ATOM 5117 OG SER A 329 3.510 4.605 1.824 1.00 0.00 O
ATOM 5118 HG SER A 329 3.349 3.720 2.160 1.00 0.00 H
ATOM 5119 C SER A 329 0.932 3.945 3.207 1.00 0.00 C
ATOM 5120 O SER A 329 1.324 3.494 4.276 1.00 0.00 O
ATOM 5121 N GLN A 330 0.045 3.316 2.442 1.00 0.00 N
ATOM 5122 H GLN A 330 -0.253 3.729 1.570 1.00 0.00 H
ATOM 5123 CA GLN A 330 -0.485 2.042 2.869 1.00 0.00 C
ATOM 5124 HA GLN A 330 -0.708 2.080 3.935 1.00 0.00 H
ATOM 5125 CB GLN A 330 -1.970 1.832 2.480 1.00 0.00 C
ATOM 5126 HB1 GLN A 330 -2.345 0.924 2.951 1.00 0.00 H
ATOM 5127 HB2 GLN A 330 -2.559 2.685 2.817 1.00 0.00 H
ATOM 5128 CG GLN A 330 -2.252 1.685 0.999 1.00 0.00 C
ATOM 5129 HG1 GLN A 330 -2.073 2.636 0.498 1.00 0.00 H
ATOM 5130 HG2 GLN A 330 -1.595 0.924 0.578 1.00 0.00 H
ATOM 5131 CD GLN A 330 -3.699 1.271 0.795 1.00 0.00 C
ATOM 5132 OE1 GLN A 330 -4.031 0.084 0.738 1.00 0.00 O
ATOM 5133 NE2 GLN A 330 -4.591 2.236 0.705 1.00 0.00 N
ATOM 5134 1HE2 GLN A 330 -4.299 3.201 0.772 1.00 0.00 H
ATOM 5135 2HE2 GLN A 330 -5.566 2.012 0.569 1.00 0.00 H
ATOM 5136 C GLN A 330 0.382 0.891 2.450 1.00 0.00 C
ATOM 5137 O GLN A 330 1.136 0.965 1.478 1.00 0.00 O
ATOM 5138 N SER A 331 0.245 -0.183 3.185 1.00 0.00 N
ATOM 5139 H SER A 331 -0.409 -0.188 3.954 1.00 0.00 H
ATOM 5140 CA SER A 331 0.988 -1.404 2.968 1.00 0.00 C
ATOM 5141 HA SER A 331 1.446 -1.381 1.979 1.00 0.00 H
ATOM 5142 CB SER A 331 2.040 -1.515 4.068 1.00 0.00 C
ATOM 5143 HB1 SER A 331 2.802 -0.750 3.920 1.00 0.00 H
ATOM 5144 HB2 SER A 331 1.567 -1.373 5.039 1.00 0.00 H
ATOM 5145 OG SER A 331 2.717 -2.761 4.120 1.00 0.00 O
ATOM 5146 HG SER A 331 3.357 -2.748 4.835 1.00 0.00 H
ATOM 5147 C SER A 331 0.032 -2.598 3.045 1.00 0.00 C
ATOM 5148 O SER A 331 -0.971 -2.550 3.758 1.00 0.00 O
ATOM 5149 N SER A 332 0.369 -3.681 2.333 1.00 0.00 N
ATOM 5150 H SER A 332 1.163 -3.648 1.710 1.00 0.00 H
ATOM 5151 CA SER A 332 -0.388 -4.920 2.434 1.00 0.00 C
ATOM 5152 HA SER A 332 -1.262 -4.762 3.066 1.00 0.00 H
ATOM 5153 CB SER A 332 -0.839 -5.394 1.044 1.00 0.00 C
ATOM 5154 HB1 SER A 332 -1.398 -6.325 1.140 1.00 0.00 H
ATOM 5155 HB2 SER A 332 -1.475 -4.634 0.589 1.00 0.00 H
ATOM 5156 OG SER A 332 0.300 -5.610 0.222 1.00 0.00 O
ATOM 5157 HG SER A 332 0.861 -6.279 0.620 1.00 0.00 H
ATOM 5158 C SER A 332 0.564 -5.952 3.067 1.00 0.00 C
ATOM 5159 O SER A 332 0.223 -7.131 3.112 1.00 0.00 O
ATOM 5160 N THR A 333 1.753 -5.495 3.557 1.00 0.00 N
ATOM 5161 H THR A 333 1.972 -4.510 3.517 1.00 0.00 H
ATOM 5162 CA THR A 333 2.774 -6.369 4.161 1.00 0.00 C
ATOM 5163 HA THR A 333 2.439 -7.405 4.118 1.00 0.00 H
ATOM 5164 CB THR A 333 4.009 -6.515 3.218 1.00 0.00 C
ATOM 5165 HB THR A 333 4.727 -7.205 3.663 1.00 0.00 H
ATOM 5166 CG2 THR A 333 3.669 -7.188 1.871 1.00 0.00 C
ATOM 5167 1HG2 THR A 333 4.570 -7.260 1.262 1.00 0.00 H
ATOM 5168 2HG2 THR A 333 3.274 -8.188 2.053 1.00 0.00 H
ATOM 5169 3HG2 THR A 333 2.922 -6.593 1.345 1.00 0.00 H
ATOM 5170 OG1 THR A 333 4.576 -5.234 2.991 1.00 0.00 O
ATOM 5171 HG1 THR A 333 4.852 -4.853 3.828 1.00 0.00 H
ATOM 5172 C THR A 333 3.179 -5.924 5.589 1.00 0.00 C
ATOM 5173 O THR A 333 4.293 -6.201 6.042 1.00 0.00 O
ATOM 5174 N GLY A 334 2.280 -5.221 6.265 1.00 0.00 N
ATOM 5175 H GLY A 334 1.399 -4.980 5.833 1.00 0.00 H
ATOM 5176 CA GLY A 334 2.504 -4.771 7.626 1.00 0.00 C
ATOM 5177 HA1 GLY A 334 1.564 -4.795 8.177 1.00 0.00 H
ATOM 5178 HA2 GLY A 334 3.226 -5.428 8.112 1.00 0.00 H
ATOM 5179 C GLY A 334 3.048 -3.356 7.763 1.00 0.00 C
ATOM 5180 O GLY A 334 3.261 -2.642 6.769 1.00 0.00 O
ATOM 5181 N THR A 335 3.297 -2.950 9.006 1.00 0.00 N
ATOM 5182 H THR A 335 3.110 -3.565 9.785 1.00 0.00 H
ATOM 5183 CA THR A 335 3.843 -1.606 9.238 1.00 0.00 C
ATOM 5184 HA THR A 335 3.297 -0.882 8.634 1.00 0.00 H
ATOM 5185 CB THR A 335 3.626 -1.196 10.704 1.00 0.00 C
ATOM 5186 HB THR A 335 4.074 -1.942 11.361 1.00 0.00 H
ATOM 5187 CG2 THR A 335 4.311 0.143 11.047 1.00 0.00 C
ATOM 5188 1HG2 THR A 335 4.128 0.389 12.093 1.00 0.00 H
ATOM 5189 2HG2 THR A 335 5.384 0.057 10.876 1.00 0.00 H
ATOM 5190 3HG2 THR A 335 3.905 0.932 10.413 1.00 0.00 H
ATOM 5191 OG1 THR A 335 2.214 -1.086 10.942 1.00 0.00 O
ATOM 5192 HG1 THR A 335 2.027 -1.289 11.862 1.00 0.00 H
ATOM 5193 C THR A 335 5.322 -1.568 8.900 1.00 0.00 C
ATOM 5194 O THR A 335 6.051 -2.512 9.208 1.00 0.00 O
ATOM 5195 N VAL A 336 5.777 -0.460 8.282 1.00 0.00 N
ATOM 5196 H VAL A 336 5.130 0.261 7.998 1.00 0.00 H
ATOM 5197 CA VAL A 336 7.205 -0.273 8.010 1.00 0.00 C
ATOM 5198 HA VAL A 336 7.771 -1.089 8.458 1.00 0.00 H
ATOM 5199 CB VAL A 336 7.571 -0.382 6.490 1.00 0.00 C
ATOM 5200 HB VAL A 336 7.102 0.436 5.944 1.00 0.00 H
ATOM 5201 CG1 VAL A 336 9.087 -0.374 6.306 1.00 0.00 C
ATOM 5202 1HG1 VAL A 336 9.324 -0.450 5.245 1.00 0.00 H
ATOM 5203 2HG1 VAL A 336 9.497 0.554 6.704 1.00 0.00 H
ATOM 5204 3HG1 VAL A 336 9.522 -1.221 6.837 1.00 0.00 H
ATOM 5205 CG2 VAL A 336 6.973 -1.633 5.846 1.00 0.00 C
ATOM 5206 1HG2 VAL A 336 7.252 -1.669 4.792 1.00 0.00 H
ATOM 5207 2HG2 VAL A 336 7.353 -2.521 6.352 1.00 0.00 H
ATOM 5208 3HG2 VAL A 336 5.887 -1.604 5.932 1.00 0.00 H
ATOM 5209 C VAL A 336 7.587 1.089 8.565 1.00 0.00 C
ATOM 5210 O VAL A 336 7.087 2.119 8.091 1.00 0.00 O
ATOM 5211 N MET A 337 8.459 1.097 9.574 1.00 0.00 N
ATOM 5212 H MET A 337 8.779 0.225 9.972 1.00 0.00 H
ATOM 5213 CA MET A 337 8.968 2.355 10.125 1.00 0.00 C
ATOM 5214 HA MET A 337 8.196 3.122 10.056 1.00 0.00 H
ATOM 5215 CB MET A 337 9.296 2.203 11.619 1.00 0.00 C
ATOM 5216 HB1 MET A 337 9.950 1.342 11.762 1.00 0.00 H
ATOM 5217 HB2 MET A 337 9.798 3.103 11.975 1.00 0.00 H
ATOM 5218 CG MET A 337 8.052 1.994 12.459 1.00 0.00 C
ATOM 5219 HG1 MET A 337 7.511 2.936 12.549 1.00 0.00 H
ATOM 5220 HG2 MET A 337 7.411 1.252 11.983 1.00 0.00 H
ATOM 5221 SD MET A 337 8.316 1.409 14.154 1.00 0.00 S
ATOM 5222 CE MET A 337 9.406 2.602 14.711 1.00 0.00 C
ATOM 5223 HE1 MET A 337 9.676 2.394 15.746 1.00 0.00 H
ATOM 5224 HE2 MET A 337 10.304 2.592 14.093 1.00 0.00 H
ATOM 5225 HE3 MET A 337 8.935 3.583 14.649 1.00 0.00 H
ATOM 5226 C MET A 337 10.198 2.669 9.286 1.00 0.00 C
ATOM 5227 O MET A 337 11.286 2.176 9.564 1.00 0.00 O
ATOM 5228 N GLY A 338 9.958 3.406 8.204 1.00 0.00 N
ATOM 5229 H GLY A 338 9.027 3.755 8.026 1.00 0.00 H
ATOM 5230 CA GLY A 338 10.942 3.780 7.204 1.00 0.00 C
ATOM 5231 HA1 GLY A 338 11.622 2.945 7.033 1.00 0.00 H
ATOM 5232 HA2 GLY A 338 10.436 4.032 6.272 1.00 0.00 H
ATOM 5233 C GLY A 338 11.784 4.975 7.600 1.00 0.00 C
ATOM 5234 O GLY A 338 11.691 5.455 8.733 1.00 0.00 O
ATOM 5235 N ALA A 339 12.580 5.477 6.645 1.00 0.00 N
ATOM 5236 H ALA A 339 12.550 5.097 5.710 1.00 0.00 H
ATOM 5237 CA ALA A 339 13.533 6.583 6.857 1.00 0.00 C
ATOM 5238 HA ALA A 339 14.340 6.248 7.508 1.00 0.00 H
ATOM 5239 CB ALA A 339 14.289 6.908 5.574 1.00 0.00 C
ATOM 5240 HB1 ALA A 339 14.984 7.727 5.759 1.00 0.00 H
ATOM 5241 HB2 ALA A 339 14.842 6.029 5.245 1.00 0.00 H
ATOM 5242 HB3 ALA A 339 13.580 7.202 4.799 1.00 0.00 H
ATOM 5243 C ALA A 339 12.911 7.836 7.400 1.00 0.00 C
ATOM 5244 O ALA A 339 13.554 8.505 8.199 1.00 0.00 O
ATOM 5245 N VAL A 340 11.666 8.160 6.997 1.00 0.00 N
ATOM 5246 H VAL A 340 11.168 7.555 6.361 1.00 0.00 H
ATOM 5247 CA VAL A 340 11.062 9.398 7.500 1.00 0.00 C
ATOM 5248 HA VAL A 340 11.578 10.256 7.068 1.00 0.00 H
ATOM 5249 CB VAL A 340 9.909 9.982 6.617 1.00 0.00 C
ATOM 5250 HB VAL A 340 9.492 10.865 7.099 1.00 0.00 H
ATOM 5251 CG1 VAL A 340 10.400 10.237 5.170 1.00 0.00 C
ATOM 5252 1HG1 VAL A 340 9.582 10.642 4.574 1.00 0.00 H
ATOM 5253 2HG1 VAL A 340 11.225 10.950 5.187 1.00 0.00 H
ATOM 5254 3HG1 VAL A 340 10.740 9.300 4.730 1.00 0.00 H
ATOM 5255 CG2 VAL A 340 8.658 9.096 6.660 1.00 0.00 C
ATOM 5256 1HG2 VAL A 340 7.880 9.535 6.034 1.00 0.00 H
ATOM 5257 2HG2 VAL A 340 8.904 8.101 6.289 1.00 0.00 H
ATOM 5258 3HG2 VAL A 340 8.299 9.023 7.686 1.00 0.00 H
ATOM 5259 C VAL A 340 10.792 9.357 9.007 1.00 0.00 C
ATOM 5260 O VAL A 340 10.909 10.388 9.658 1.00 0.00 O
ATOM 5261 N ILE A 341 10.551 8.154 9.570 1.00 0.00 N
ATOM 5262 H ILE A 341 10.458 7.333 8.989 1.00 0.00 H
ATOM 5263 CA ILE A 341 10.405 7.910 11.005 1.00 0.00 C
ATOM 5264 HA ILE A 341 9.768 8.679 11.442 1.00 0.00 H
ATOM 5265 CB ILE A 341 9.626 6.607 11.295 1.00 0.00 C
ATOM 5266 HB ILE A 341 10.239 5.748 11.021 1.00 0.00 H
ATOM 5267 CG2 ILE A 341 9.503 6.336 12.814 1.00 0.00 C
ATOM 5268 1HG2 ILE A 341 8.949 5.411 12.975 1.00 0.00 H
ATOM 5269 2HG2 ILE A 341 10.498 6.243 13.248 1.00 0.00 H
ATOM 5270 3HG2 ILE A 341 8.975 7.163 13.289 1.00 0.00 H
ATOM 5271 CG1 ILE A 341 8.253 6.594 10.614 1.00 0.00 C
ATOM 5272 1HG1 ILE A 341 8.380 6.437 9.542 1.00 0.00 H
ATOM 5273 2HG1 ILE A 341 7.648 5.788 11.029 1.00 0.00 H
ATOM 5274 CD ILE A 341 7.434 7.883 10.773 1.00 0.00 C
ATOM 5275 HD1 ILE A 341 6.481 7.774 10.257 1.00 0.00 H
ATOM 5276 HD2 ILE A 341 7.254 8.071 11.832 1.00 0.00 H
ATOM 5277 HD3 ILE A 341 7.986 8.719 10.345 1.00 0.00 H
ATOM 5278 C ILE A 341 11.809 7.869 11.672 1.00 0.00 C
ATOM 5279 O ILE A 341 12.039 8.523 12.698 1.00 0.00 O
ATOM 5280 N MET A 342 12.732 7.112 11.076 1.00 0.00 N
ATOM 5281 H MET A 342 12.494 6.584 10.248 1.00 0.00 H
ATOM 5282 CA MET A 342 14.113 6.998 11.566 1.00 0.00 C
ATOM 5283 HA MET A 342 14.116 6.485 12.528 1.00 0.00 H
ATOM 5284 CB MET A 342 14.893 5.974 10.752 1.00 0.00 C
ATOM 5285 HB1 MET A 342 14.875 6.256 9.699 1.00 0.00 H
ATOM 5286 HB2 MET A 342 15.925 5.941 11.101 1.00 0.00 H
ATOM 5287 CG MET A 342 14.288 4.566 10.889 1.00 0.00 C
ATOM 5288 HG1 MET A 342 14.220 4.300 11.943 1.00 0.00 H
ATOM 5289 HG2 MET A 342 13.292 4.553 10.446 1.00 0.00 H
ATOM 5290 SD MET A 342 15.318 3.347 10.044 1.00 0.00 S
ATOM 5291 CE MET A 342 16.774 3.414 11.115 1.00 0.00 C
ATOM 5292 HE1 MET A 342 17.529 2.719 10.747 1.00 0.00 H
ATOM 5293 HE2 MET A 342 17.181 4.426 11.113 1.00 0.00 H
ATOM 5294 HE3 MET A 342 16.492 3.139 12.131 1.00 0.00 H
ATOM 5295 C MET A 342 14.850 8.321 11.629 1.00 0.00 C
ATOM 5296 O MET A 342 15.727 8.497 12.483 1.00 0.00 O
ATOM 5297 N GLU A 343 14.475 9.264 10.763 1.00 0.00 N
ATOM 5298 H GLU A 343 13.774 9.059 10.064 1.00 0.00 H
ATOM 5299 CA GLU A 343 15.025 10.620 10.753 1.00 0.00 C
ATOM 5300 HA GLU A 343 16.100 10.575 10.577 1.00 0.00 H
ATOM 5301 CB GLU A 343 14.448 11.372 9.555 1.00 0.00 C
ATOM 5302 HB1 GLU A 343 13.423 11.047 9.381 1.00 0.00 H
ATOM 5303 HB2 GLU A 343 14.460 12.443 9.758 1.00 0.00 H
ATOM 5304 CG GLU A 343 15.286 11.085 8.315 1.00 0.00 C
ATOM 5305 HG1 GLU A 343 16.309 11.422 8.481 1.00 0.00 H
ATOM 5306 HG2 GLU A 343 15.285 10.013 8.116 1.00 0.00 H
ATOM 5307 CD GLU A 343 14.811 11.758 7.049 1.00 0.00 C
ATOM 5308 OE1 GLU A 343 15.477 11.570 6.013 1.00 0.00 O
ATOM 5309 OE2 GLU A 343 13.838 12.539 7.095 1.00 0.00 O
ATOM 5310 C GLU A 343 14.738 11.397 12.067 1.00 0.00 C
ATOM 5311 O GLU A 343 15.453 12.345 12.398 1.00 0.00 O
ATOM 5312 N GLY A 344 13.723 10.984 12.809 1.00 0.00 N
ATOM 5313 H GLY A 344 13.158 10.205 12.503 1.00 0.00 H
ATOM 5314 CA GLY A 344 13.418 11.658 14.072 1.00 0.00 C
ATOM 5315 HA1 GLY A 344 13.588 12.729 13.963 1.00 0.00 H
ATOM 5316 HA2 GLY A 344 12.375 11.481 14.336 1.00 0.00 H
ATOM 5317 C GLY A 344 14.275 11.169 15.227 1.00 0.00 C
ATOM 5318 O GLY A 344 14.376 11.839 16.263 1.00 0.00 O
ATOM 5319 N PHE A 345 14.880 9.970 15.059 1.00 0.00 N
ATOM 5320 H PHE A 345 14.899 9.537 14.147 1.00 0.00 H
ATOM 5321 CA PHE A 345 15.521 9.258 16.165 1.00 0.00 C
ATOM 5322 HA PHE A 345 15.636 9.932 17.014 1.00 0.00 H
ATOM 5323 CB PHE A 345 14.597 8.090 16.639 1.00 0.00 C
ATOM 5324 HB1 PHE A 345 14.601 7.297 15.891 1.00 0.00 H
ATOM 5325 HB2 PHE A 345 14.965 7.697 17.587 1.00 0.00 H
ATOM 5326 CG PHE A 345 13.167 8.529 16.842 1.00 0.00 C
ATOM 5327 CD1 PHE A 345 12.219 8.337 15.846 1.00 0.00 C
ATOM 5328 HD1 PHE A 345 12.477 7.785 14.955 1.00 0.00 H
ATOM 5329 CE1 PHE A 345 10.929 8.849 15.977 1.00 0.00 C
ATOM 5330 HE1 PHE A 345 10.199 8.681 15.199 1.00 0.00 H
ATOM 5331 CZ PHE A 345 10.579 9.574 17.104 1.00 0.00 C
ATOM 5332 HZ PHE A 345 9.585 9.989 17.192 1.00 0.00 H
ATOM 5333 CE2 PHE A 345 11.505 9.764 18.111 1.00 0.00 C
ATOM 5334 HE2 PHE A 345 11.228 10.304 19.005 1.00 0.00 H
ATOM 5335 CD2 PHE A 345 12.799 9.258 17.974 1.00 0.00 C
ATOM 5336 HD2 PHE A 345 13.519 9.437 18.759 1.00 0.00 H
ATOM 5337 C PHE A 345 16.873 8.662 15.892 1.00 0.00 C
ATOM 5338 O PHE A 345 17.234 8.366 14.751 1.00 0.00 O
ATOM 5339 N TYR A 346 17.612 8.460 16.981 1.00 0.00 N
ATOM 5340 H TYR A 346 17.312 8.832 17.871 1.00 0.00 H
ATOM 5341 CA TYR A 346 18.851 7.715 16.935 1.00 0.00 C
ATOM 5342 HA TYR A 346 19.277 7.780 15.934 1.00 0.00 H
ATOM 5343 CB TYR A 346 19.799 8.200 18.012 1.00 0.00 C
ATOM 5344 HB1 TYR A 346 20.036 9.251 17.842 1.00 0.00 H
ATOM 5345 HB2 TYR A 346 19.328 8.088 18.989 1.00 0.00 H
ATOM 5346 CG TYR A 346 21.109 7.457 18.067 1.00 0.00 C
ATOM 5347 CD1 TYR A 346 21.809 7.148 16.902 1.00 0.00 C
ATOM 5348 HD1 TYR A 346 21.388 7.393 15.938 1.00 0.00 H
ATOM 5349 CE1 TYR A 346 23.051 6.524 16.950 1.00 0.00 C
ATOM 5350 HE1 TYR A 346 23.556 6.255 16.034 1.00 0.00 H
ATOM 5351 CZ TYR A 346 23.634 6.251 18.171 1.00 0.00 C
ATOM 5352 OH TYR A 346 24.885 5.673 18.221 1.00 0.00 O
ATOM 5353 HH TYR A 346 25.207 5.527 17.328 1.00 0.00 H
ATOM 5354 CE2 TYR A 346 22.964 6.565 19.342 1.00 0.00 C
ATOM 5355 HE2 TYR A 346 23.424 6.370 20.300 1.00 0.00 H
ATOM 5356 CD2 TYR A 346 21.693 7.133 19.283 1.00 0.00 C
ATOM 5357 HD2 TYR A 346 21.161 7.319 20.204 1.00 0.00 H
ATOM 5358 C TYR A 346 18.335 6.313 17.238 1.00 0.00 C
ATOM 5359 O TYR A 346 17.617 6.128 18.225 1.00 0.00 O
ATOM 5360 N VAL A 347 18.624 5.355 16.352 1.00 0.00 N
ATOM 5361 H VAL A 347 19.227 5.558 15.567 1.00 0.00 H
ATOM 5362 CA VAL A 347 18.093 3.995 16.471 1.00 0.00 C
ATOM 5363 HA VAL A 347 17.324 3.971 17.242 1.00 0.00 H
ATOM 5364 CB VAL A 347 17.185 3.615 15.258 1.00 0.00 C
ATOM 5365 HB VAL A 347 17.775 3.637 14.341 1.00 0.00 H
ATOM 5366 CG1 VAL A 347 16.532 2.247 15.464 1.00 0.00 C
ATOM 5367 1HG1 VAL A 347 15.906 2.009 14.605 1.00 0.00 H
ATOM 5368 2HG1 VAL A 347 17.306 1.486 15.571 1.00 0.00 H
ATOM 5369 3HG1 VAL A 347 15.919 2.269 16.365 1.00 0.00 H
ATOM 5370 CG2 VAL A 347 16.107 4.689 15.007 1.00 0.00 C
ATOM 5371 1HG2 VAL A 347 15.491 4.395 14.157 1.00 0.00 H
ATOM 5372 2HG2 VAL A 347 15.479 4.788 15.892 1.00 0.00 H
ATOM 5373 3HG2 VAL A 347 16.587 5.645 14.795 1.00 0.00 H
ATOM 5374 C VAL A 347 19.224 2.991 16.693 1.00 0.00 C
ATOM 5375 O VAL A 347 20.131 2.904 15.874 1.00 0.00 O
ATOM 5376 N VAL A 348 19.142 2.253 17.806 1.00 0.00 N
ATOM 5377 H VAL A 348 18.341 2.344 18.414 1.00 0.00 H
ATOM 5378 CA VAL A 348 20.158 1.289 18.228 1.00 0.00 C
ATOM 5379 HA VAL A 348 21.104 1.519 17.737 1.00 0.00 H
ATOM 5380 CB VAL A 348 20.503 1.448 19.735 1.00 0.00 C
ATOM 5381 HB VAL A 348 19.584 1.446 20.321 1.00 0.00 H
ATOM 5382 CG1 VAL A 348 21.495 0.360 20.205 1.00 0.00 C
ATOM 5383 1HG1 VAL A 348 21.714 0.501 21.263 1.00 0.00 H
ATOM 5384 2HG1 VAL A 348 21.053 -0.624 20.054 1.00 0.00 H
ATOM 5385 3HG1 VAL A 348 22.417 0.436 19.630 1.00 0.00 H
ATOM 5386 CG2 VAL A 348 21.036 2.840 20.041 1.00 0.00 C
ATOM 5387 1HG2 VAL A 348 21.267 2.917 21.103 1.00 0.00 H
ATOM 5388 2HG2 VAL A 348 21.941 3.019 19.459 1.00 0.00 H
ATOM 5389 3HG2 VAL A 348 20.284 3.584 19.779 1.00 0.00 H
ATOM 5390 C VAL A 348 19.671 -0.110 17.918 1.00 0.00 C
ATOM 5391 O VAL A 348 18.672 -0.532 18.469 1.00 0.00 O
ATOM 5392 N PHE A 349 20.389 -0.823 17.043 1.00 0.00 N
ATOM 5393 H PHE A 349 21.210 -0.420 16.615 1.00 0.00 H
ATOM 5394 CA PHE A 349 20.039 -2.193 16.666 1.00 0.00 C
ATOM 5395 HA PHE A 349 18.970 -2.349 16.812 1.00 0.00 H
ATOM 5396 CB PHE A 349 20.232 -2.420 15.140 1.00 0.00 C
ATOM 5397 HB1 PHE A 349 21.249 -2.149 14.858 1.00 0.00 H
ATOM 5398 HB2 PHE A 349 20.057 -3.469 14.903 1.00 0.00 H
ATOM 5399 CG PHE A 349 19.280 -1.590 14.295 1.00 0.00 C
ATOM 5400 CD1 PHE A 349 18.141 -2.157 13.738 1.00 0.00 C
ATOM 5401 HD1 PHE A 349 17.916 -3.199 13.913 1.00 0.00 H
ATOM 5402 CE1 PHE A 349 17.266 -1.385 12.940 1.00 0.00 C
ATOM 5403 HE1 PHE A 349 16.409 -1.848 12.474 1.00 0.00 H
ATOM 5404 CZ PHE A 349 17.511 -0.035 12.757 1.00 0.00 C
ATOM 5405 HZ PHE A 349 16.818 0.568 12.189 1.00 0.00 H
ATOM 5406 CE2 PHE A 349 18.644 0.539 13.302 1.00 0.00 C
ATOM 5407 HE2 PHE A 349 18.843 1.589 13.147 1.00 0.00 H
ATOM 5408 CD2 PHE A 349 19.532 -0.239 14.055 1.00 0.00 C
ATOM 5409 HD2 PHE A 349 20.424 0.222 14.453 1.00 0.00 H
ATOM 5410 C PHE A 349 20.923 -3.083 17.527 1.00 0.00 C
ATOM 5411 O PHE A 349 22.070 -3.399 17.171 1.00 0.00 O
ATOM 5412 N ASP A 350 20.420 -3.363 18.739 1.00 0.00 N
ATOM 5413 H ASP A 350 19.500 -3.032 18.993 1.00 0.00 H
ATOM 5414 CA ASP A 350 21.139 -4.144 19.750 1.00 0.00 C
ATOM 5415 HA ASP A 350 22.200 -3.897 19.714 1.00 0.00 H
ATOM 5416 CB ASP A 350 20.750 -3.669 21.174 1.00 0.00 C
ATOM 5417 HB1 ASP A 350 20.844 -2.585 21.234 1.00 0.00 H
ATOM 5418 HB2 ASP A 350 19.720 -3.956 21.384 1.00 0.00 H
ATOM 5419 CG ASP A 350 21.618 -4.258 22.283 1.00 0.00 C
ATOM 5420 OD1 ASP A 350 22.375 -5.226 22.003 1.00 0.00 O
ATOM 5421 OD2 ASP A 350 21.537 -3.764 23.418 1.00 0.00 O
ATOM 5422 C ASP A 350 20.866 -5.636 19.535 1.00 0.00 C
ATOM 5423 O ASP A 350 20.041 -6.252 20.214 1.00 0.00 O
ATOM 5424 N ARG A 351 21.555 -6.205 18.545 1.00 0.00 N
ATOM 5425 H ARG A 351 22.225 -5.663 18.019 1.00 0.00 H
ATOM 5426 CA ARG A 351 21.385 -7.609 18.173 1.00 0.00 C
ATOM 5427 HA ARG A 351 20.347 -7.788 17.893 1.00 0.00 H
ATOM 5428 CB ARG A 351 22.212 -7.925 16.906 1.00 0.00 C
ATOM 5429 HB1 ARG A 351 23.258 -7.671 17.081 1.00 0.00 H
ATOM 5430 HB2 ARG A 351 22.131 -8.987 16.674 1.00 0.00 H
ATOM 5431 CG ARG A 351 21.764 -7.153 15.648 1.00 0.00 C
ATOM 5432 HG1 ARG A 351 20.945 -7.687 15.166 1.00 0.00 H
ATOM 5433 HG2 ARG A 351 21.431 -6.156 15.932 1.00 0.00 H
ATOM 5434 CD ARG A 351 22.895 -7.007 14.638 1.00 0.00 C
ATOM 5435 HD1 ARG A 351 22.522 -6.508 13.744 1.00 0.00 H
ATOM 5436 HD2 ARG A 351 23.699 -6.416 15.076 1.00 0.00 H
ATOM 5437 NE ARG A 351 23.456 -8.307 14.232 1.00 0.00 N
ATOM 5438 HE ARG A 351 24.092 -8.734 14.891 1.00 0.00 H
ATOM 5439 CZ ARG A 351 23.176 -8.919 13.087 1.00 0.00 C
ATOM 5440 NH1 ARG A 351 22.325 -8.374 12.227 1.00 0.00 N
ATOM 5441 1HH1 ARG A 351 21.888 -7.489 12.442 1.00 0.00 H
ATOM 5442 2HH1 ARG A 351 22.116 -8.843 11.358 1.00 0.00 H
ATOM 5443 NH2 ARG A 351 23.733 -10.091 12.801 1.00 0.00 N
ATOM 5444 1HH2 ARG A 351 24.372 -10.519 13.455 1.00 0.00 H
ATOM 5445 2HH2 ARG A 351 23.517 -10.553 11.929 1.00 0.00 H
ATOM 5446 C ARG A 351 21.801 -8.515 19.325 1.00 0.00 C
ATOM 5447 O ARG A 351 21.113 -9.512 19.592 1.00 0.00 O
ATOM 5448 N ALA A 352 22.879 -8.130 20.054 1.00 0.00 N
ATOM 5449 H ALA A 352 23.375 -7.284 19.813 1.00 0.00 H
ATOM 5450 CA ALA A 352 23.388 -8.893 21.210 1.00 0.00 C
ATOM 5451 HA ALA A 352 23.773 -9.855 20.871 1.00 0.00 H
ATOM 5452 CB ALA A 352 24.603 -8.197 21.815 1.00 0.00 C
ATOM 5453 HB1 ALA A 352 24.966 -8.772 22.666 1.00 0.00 H
ATOM 5454 HB2 ALA A 352 25.391 -8.123 21.065 1.00 0.00 H
ATOM 5455 HB3 ALA A 352 24.323 -7.197 22.145 1.00 0.00 H
ATOM 5456 C ALA A 352 22.318 -9.097 22.284 1.00 0.00 C
ATOM 5457 O ALA A 352 22.251 -10.166 22.886 1.00 0.00 O
ATOM 5458 N ARG A 353 21.457 -8.086 22.489 1.00 0.00 N
ATOM 5459 H ARG A 353 21.516 -7.250 21.925 1.00 0.00 H
ATOM 5460 CA ARG A 353 20.413 -8.140 23.516 1.00 0.00 C
ATOM 5461 HA ARG A 353 20.650 -8.924 24.235 1.00 0.00 H
ATOM 5462 CB ARG A 353 20.587 -6.980 24.512 1.00 0.00 C
ATOM 5463 HB1 ARG A 353 20.677 -6.042 23.965 1.00 0.00 H
ATOM 5464 HB2 ARG A 353 19.720 -6.935 25.172 1.00 0.00 H
ATOM 5465 CG ARG A 353 21.847 -7.185 25.360 1.00 0.00 C
ATOM 5466 HG1 ARG A 353 21.709 -8.045 26.015 1.00 0.00 H
ATOM 5467 HG2 ARG A 353 22.701 -7.362 24.706 1.00 0.00 H
ATOM 5468 CD ARG A 353 22.192 -6.011 26.234 1.00 0.00 C
ATOM 5469 HD1 ARG A 353 23.183 -6.156 26.663 1.00 0.00 H
ATOM 5470 HD2 ARG A 353 22.184 -5.099 25.637 1.00 0.00 H
ATOM 5471 NE ARG A 353 21.234 -5.854 27.329 1.00 0.00 N
ATOM 5472 HE ARG A 353 20.445 -6.485 27.313 1.00 0.00 H
ATOM 5473 CZ ARG A 353 21.349 -4.959 28.303 1.00 0.00 C
ATOM 5474 NH1 ARG A 353 22.406 -4.156 28.356 1.00 0.00 N
ATOM 5475 1HH1 ARG A 353 23.128 -4.224 27.654 1.00 0.00 H
ATOM 5476 2HH1 ARG A 353 22.487 -3.477 29.100 1.00 0.00 H
ATOM 5477 NH2 ARG A 353 20.421 -4.877 29.249 1.00 0.00 N
ATOM 5478 1HH2 ARG A 353 19.624 -5.497 29.230 1.00 0.00 H
ATOM 5479 2HH2 ARG A 353 20.512 -4.195 29.988 1.00 0.00 H
ATOM 5480 C ARG A 353 19.002 -8.236 22.958 1.00 0.00 C
ATOM 5481 O ARG A 353 18.044 -8.014 23.691 1.00 0.00 O
ATOM 5482 N LYS A 354 18.885 -8.565 21.652 1.00 0.00 N
ATOM 5483 H LYS A 354 19.712 -8.694 21.087 1.00 0.00 H
ATOM 5484 CA LYS A 354 17.640 -8.769 20.907 1.00 0.00 C
ATOM 5485 HA LYS A 354 17.860 -8.840 19.842 1.00 0.00 H
ATOM 5486 CB LYS A 354 17.053 -10.152 21.283 1.00 0.00 C
ATOM 5487 HB1 LYS A 354 17.863 -10.872 21.399 1.00 0.00 H
ATOM 5488 HB2 LYS A 354 16.503 -10.071 22.221 1.00 0.00 H
ATOM 5489 CG LYS A 354 16.093 -10.734 20.263 1.00 0.00 C
ATOM 5490 HG1 LYS A 354 15.230 -10.077 20.159 1.00 0.00 H
ATOM 5491 HG2 LYS A 354 16.597 -10.826 19.301 1.00 0.00 H
ATOM 5492 CD LYS A 354 15.616 -12.112 20.707 1.00 0.00 C
ATOM 5493 HD1 LYS A 354 16.457 -12.805 20.708 1.00 0.00 H
ATOM 5494 HD2 LYS A 354 15.200 -12.046 21.713 1.00 0.00 H
ATOM 5495 CE LYS A 354 14.556 -12.653 19.790 1.00 0.00 C
ATOM 5496 HE1 LYS A 354 13.663 -12.032 19.860 1.00 0.00 H
ATOM 5497 HE2 LYS A 354 14.924 -12.645 18.764 1.00 0.00 H
ATOM 5498 NZ LYS A 354 14.198 -14.046 20.156 1.00 0.00 N
ATOM 5499 HZ1 LYS A 354 14.247 -14.154 21.159 1.00 0.00 H
ATOM 5500 HZ2 LYS A 354 13.259 -14.246 19.842 1.00 0.00 H
ATOM 5501 HZ3 LYS A 354 14.843 -14.686 19.716 1.00 0.00 H
ATOM 5502 C LYS A 354 16.657 -7.615 21.215 1.00 0.00 C
ATOM 5503 O LYS A 354 15.512 -7.824 21.628 1.00 0.00 O
ATOM 5504 N ARG A 355 17.127 -6.381 21.002 1.00 0.00 N
ATOM 5505 H ARG A 355 18.061 -6.252 20.641 1.00 0.00 H
ATOM 5506 CA ARG A 355 16.280 -5.217 21.296 1.00 0.00 C
ATOM 5507 HA ARG A 355 15.232 -5.488 21.168 1.00 0.00 H
ATOM 5508 CB ARG A 355 16.408 -4.818 22.776 1.00 0.00 C
ATOM 5509 HB1 ARG A 355 15.773 -3.954 22.976 1.00 0.00 H
ATOM 5510 HB2 ARG A 355 16.096 -5.651 23.406 1.00 0.00 H
ATOM 5511 CG ARG A 355 17.822 -4.439 23.210 1.00 0.00 C
ATOM 5512 HG1 ARG A 355 18.507 -5.251 22.966 1.00 0.00 H
ATOM 5513 HG2 ARG A 355 18.132 -3.533 22.690 1.00 0.00 H
ATOM 5514 CD ARG A 355 17.919 -4.177 24.709 1.00 0.00 C
ATOM 5515 HD1 ARG A 355 17.108 -3.517 25.016 1.00 0.00 H
ATOM 5516 HD2 ARG A 355 17.842 -5.121 25.249 1.00 0.00 H
ATOM 5517 NE ARG A 355 19.200 -3.546 25.017 1.00 0.00 N
ATOM 5518 HE ARG A 355 19.904 -3.624 24.297 1.00 0.00 H
ATOM 5519 CZ ARG A 355 19.472 -2.906 26.144 1.00 0.00 C
ATOM 5520 NH1 ARG A 355 18.562 -2.828 27.108 1.00 0.00 N
ATOM 5521 1HH1 ARG A 355 17.657 -3.259 26.983 1.00 0.00 H
ATOM 5522 2HH1 ARG A 355 18.774 -2.339 27.965 1.00 0.00 H
ATOM 5523 NH2 ARG A 355 20.658 -2.335 26.319 1.00 0.00 N
ATOM 5524 1HH2 ARG A 355 21.357 -2.388 25.591 1.00 0.00 H
ATOM 5525 2HH2 ARG A 355 20.862 -1.847 27.180 1.00 0.00 H
ATOM 5526 C ARG A 355 16.637 -4.050 20.414 1.00 0.00 C
ATOM 5527 O ARG A 355 17.757 -3.978 19.921 1.00 0.00 O
ATOM 5528 N ILE A 356 15.688 -3.151 20.198 1.00 0.00 N
ATOM 5529 H ILE A 356 14.764 -3.289 20.583 1.00 0.00 H
ATOM 5530 CA ILE A 356 15.956 -1.955 19.406 1.00 0.00 C
ATOM 5531 HA ILE A 356 16.955 -2.021 18.973 1.00 0.00 H
ATOM 5532 CB ILE A 356 15.110 -1.910 18.099 1.00 0.00 C
ATOM 5533 HB ILE A 356 14.049 -1.933 18.351 1.00 0.00 H
ATOM 5534 CG2 ILE A 356 15.201 -0.525 17.396 1.00 0.00 C
ATOM 5535 1HG2 ILE A 356 14.596 -0.537 16.489 1.00 0.00 H
ATOM 5536 2HG2 ILE A 356 14.831 0.249 18.068 1.00 0.00 H
ATOM 5537 3HG2 ILE A 356 16.239 -0.316 17.137 1.00 0.00 H
ATOM 5538 CG1 ILE A 356 15.503 -3.048 17.123 1.00 0.00 C
ATOM 5539 1HG1 ILE A 356 16.402 -2.764 16.576 1.00 0.00 H
ATOM 5540 2HG1 ILE A 356 15.695 -3.961 17.687 1.00 0.00 H
ATOM 5541 CD ILE A 356 14.415 -3.318 16.138 1.00 0.00 C
ATOM 5542 HD1 ILE A 356 14.721 -4.121 15.468 1.00 0.00 H
ATOM 5543 HD2 ILE A 356 13.509 -3.613 16.669 1.00 0.00 H
ATOM 5544 HD3 ILE A 356 14.217 -2.417 15.558 1.00 0.00 H
ATOM 5545 C ILE A 356 15.735 -0.735 20.303 1.00 0.00 C
ATOM 5546 O ILE A 356 14.697 -0.624 20.952 1.00 0.00 O
ATOM 5547 N GLY A 357 16.719 0.162 20.325 1.00 0.00 N
ATOM 5548 H GLY A 357 17.553 0.011 19.776 1.00 0.00 H
ATOM 5549 CA GLY A 357 16.634 1.377 21.127 1.00 0.00 C
ATOM 5550 HA1 GLY A 357 15.871 1.253 21.896 1.00 0.00 H
ATOM 5551 HA2 GLY A 357 17.598 1.569 21.600 1.00 0.00 H
ATOM 5552 C GLY A 357 16.273 2.598 20.319 1.00 0.00 C
ATOM 5553 O GLY A 357 16.692 2.729 19.170 1.00 0.00 O
ATOM 5554 N PHE A 358 15.496 3.510 20.932 1.00 0.00 N
ATOM 5555 H PHE A 358 15.163 3.341 21.871 1.00 0.00 H
ATOM 5556 CA PHE A 358 15.086 4.775 20.305 1.00 0.00 C
ATOM 5557 HA PHE A 358 15.651 4.924 19.385 1.00 0.00 H
ATOM 5558 CB PHE A 358 13.568 4.790 20.020 1.00 0.00 C
ATOM 5559 HB1 PHE A 358 13.026 4.503 20.921 1.00 0.00 H
ATOM 5560 HB2 PHE A 358 13.265 5.792 19.717 1.00 0.00 H
ATOM 5561 CG PHE A 358 13.134 3.846 18.922 1.00 0.00 C
ATOM 5562 CD1 PHE A 358 12.885 2.498 19.197 1.00 0.00 C
ATOM 5563 HD1 PHE A 358 12.992 2.124 20.204 1.00 0.00 H
ATOM 5564 CE1 PHE A 358 12.496 1.624 18.176 1.00 0.00 C
ATOM 5565 HE1 PHE A 358 12.335 0.578 18.392 1.00 0.00 H
ATOM 5566 CZ PHE A 358 12.318 2.105 16.882 1.00 0.00 C
ATOM 5567 HZ PHE A 358 12.008 1.434 16.095 1.00 0.00 H
ATOM 5568 CE2 PHE A 358 12.536 3.437 16.603 1.00 0.00 C
ATOM 5569 HE2 PHE A 358 12.374 3.813 15.604 1.00 0.00 H
ATOM 5570 CD2 PHE A 358 12.968 4.303 17.616 1.00 0.00 C
ATOM 5571 HD2 PHE A 358 13.174 5.335 17.375 1.00 0.00 H
ATOM 5572 C PHE A 358 15.397 5.920 21.264 1.00 0.00 C
ATOM 5573 O PHE A 358 15.118 5.825 22.455 1.00 0.00 O
ATOM 5574 N ALA A 359 15.957 7.003 20.730 1.00 0.00 N
ATOM 5575 H ALA A 359 16.248 6.997 19.763 1.00 0.00 H
ATOM 5576 CA ALA A 359 16.189 8.240 21.457 1.00 0.00 C
ATOM 5577 HA ALA A 359 15.489 8.311 22.288 1.00 0.00 H
ATOM 5578 CB ALA A 359 17.593 8.271 22.061 1.00 0.00 C
ATOM 5579 HB1 ALA A 359 17.737 9.209 22.598 1.00 0.00 H
ATOM 5580 HB2 ALA A 359 17.711 7.436 22.751 1.00 0.00 H
ATOM 5581 HB3 ALA A 359 18.334 8.192 21.265 1.00 0.00 H
ATOM 5582 C ALA A 359 16.003 9.386 20.469 1.00 0.00 C
ATOM 5583 O ALA A 359 16.200 9.212 19.265 1.00 0.00 O
ATOM 5584 N VAL A 360 15.611 10.551 20.976 1.00 0.00 N
ATOM 5585 H VAL A 360 15.440 10.638 21.968 1.00 0.00 H
ATOM 5586 CA VAL A 360 15.415 11.739 20.113 1.00 0.00 C
ATOM 5587 HA VAL A 360 14.627 11.536 19.388 1.00 0.00 H
ATOM 5588 CB VAL A 360 14.980 12.928 20.981 1.00 0.00 C
ATOM 5589 HB VAL A 360 15.633 13.002 21.851 1.00 0.00 H
ATOM 5590 CG1 VAL A 360 14.980 14.231 20.178 1.00 0.00 C
ATOM 5591 1HG1 VAL A 360 14.667 15.054 20.820 1.00 0.00 H
ATOM 5592 2HG1 VAL A 360 15.984 14.426 19.801 1.00 0.00 H
ATOM 5593 3HG1 VAL A 360 14.289 14.142 19.340 1.00 0.00 H
ATOM 5594 CG2 VAL A 360 13.596 12.644 21.577 1.00 0.00 C
ATOM 5595 1HG2 VAL A 360 13.285 13.487 22.194 1.00 0.00 H
ATOM 5596 2HG2 VAL A 360 12.876 12.498 20.772 1.00 0.00 H
ATOM 5597 3HG2 VAL A 360 13.642 11.743 22.190 1.00 0.00 H
ATOM 5598 C VAL A 360 16.735 12.046 19.399 1.00 0.00 C
ATOM 5599 O VAL A 360 17.764 12.144 20.059 1.00 0.00 O
ATOM 5600 N SER A 361 16.704 12.180 18.061 1.00 0.00 N
ATOM 5601 H SER A 361 15.828 12.093 17.565 1.00 0.00 H
ATOM 5602 CA SER A 361 17.929 12.450 17.322 1.00 0.00 C
ATOM 5603 HA SER A 361 18.705 11.752 17.638 1.00 0.00 H
ATOM 5604 CB SER A 361 17.707 12.207 15.832 1.00 0.00 C
ATOM 5605 HB1 SER A 361 17.480 11.154 15.664 1.00 0.00 H
ATOM 5606 HB2 SER A 361 16.874 12.817 15.483 1.00 0.00 H
ATOM 5607 OG SER A 361 18.880 12.555 15.111 1.00 0.00 O
ATOM 5608 HG SER A 361 19.343 11.757 14.846 1.00 0.00 H
ATOM 5609 C SER A 361 18.424 13.885 17.525 1.00 0.00 C
ATOM 5610 O SER A 361 17.652 14.831 17.464 1.00 0.00 O
ATOM 5611 N ALA A 362 19.733 14.042 17.692 1.00 0.00 N
ATOM 5612 H ALA A 362 20.332 13.233 17.770 1.00 0.00 H
ATOM 5613 CA ALA A 362 20.369 15.355 17.771 1.00 0.00 C
ATOM 5614 HA ALA A 362 19.907 15.936 18.569 1.00 0.00 H
ATOM 5615 CB ALA A 362 21.858 15.160 18.076 1.00 0.00 C
ATOM 5616 HB1 ALA A 362 22.347 16.133 18.138 1.00 0.00 H
ATOM 5617 HB2 ALA A 362 21.970 14.637 19.026 1.00 0.00 H
ATOM 5618 HB3 ALA A 362 22.319 14.573 17.283 1.00 0.00 H
ATOM 5619 C ALA A 362 20.200 16.117 16.405 1.00 0.00 C
ATOM 5620 O ALA A 362 20.381 17.330 16.354 1.00 0.00 O
ATOM 5621 N CYS A 363 19.847 15.409 15.313 1.00 0.00 N
ATOM 5622 H CYS A 363 19.692 14.414 15.385 1.00 0.00 H
ATOM 5623 CA CYS A 363 19.685 16.066 14.019 1.00 0.00 C
ATOM 5624 HA CYS A 363 20.135 17.058 14.055 1.00 0.00 H
ATOM 5625 CB CYS A 363 20.654 15.478 12.989 1.00 0.00 C
ATOM 5626 HB1 CYS A 363 20.668 16.109 12.100 1.00 0.00 H
ATOM 5627 HB2 CYS A 363 21.656 15.432 13.417 1.00 0.00 H
ATOM 5628 SG CYS A 363 20.228 13.798 12.444 1.00 0.00 S
ATOM 5629 C CYS A 363 18.233 16.091 13.496 1.00 0.00 C
ATOM 5630 O CYS A 363 18.023 16.331 12.309 1.00 0.00 O
ATOM 5631 N HID A 364 17.219 15.842 14.356 1.00 0.00 N
ATOM 5632 H HID A 364 17.416 15.661 15.330 1.00 0.00 H
ATOM 5633 CA HID A 364 15.852 15.849 13.818 1.00 0.00 C
ATOM 5634 HA HID A 364 15.796 15.182 12.957 1.00 0.00 H
ATOM 5635 CB HID A 364 14.856 15.084 14.713 1.00 0.00 C
ATOM 5636 HB1 HID A 364 14.002 14.765 14.116 1.00 0.00 H
ATOM 5637 HB2 HID A 364 15.347 14.211 15.141 1.00 0.00 H
ATOM 5638 CG HID A 364 14.314 15.887 15.858 1.00 0.00 C
ATOM 5639 ND1 HID A 364 15.050 16.075 17.015 1.00 0.00 N
ATOM 5640 HD1 HID A 364 15.977 15.682 17.092 1.00 0.00 H
ATOM 5641 CE1 HID A 364 14.280 16.800 17.825 1.00 0.00 C
ATOM 5642 HE1 HID A 364 14.653 17.110 18.790 1.00 0.00 H
ATOM 5643 NE2 HID A 364 13.089 17.044 17.277 1.00 0.00 N
ATOM 5644 CD2 HID A 364 13.109 16.487 16.001 1.00 0.00 C
ATOM 5645 HD2 HID A 364 12.393 16.459 15.193 1.00 0.00 H
ATOM 5646 C HID A 364 15.404 17.278 13.536 1.00 0.00 C
ATOM 5647 O HID A 364 15.859 18.224 14.192 1.00 0.00 O
ATOM 5648 N VAL A 365 14.552 17.430 12.540 1.00 0.00 N
ATOM 5649 H VAL A 365 14.226 16.623 12.028 1.00 0.00 H
ATOM 5650 CA VAL A 365 14.043 18.746 12.131 1.00 0.00 C
ATOM 5651 HA VAL A 365 14.815 19.500 12.288 1.00 0.00 H
ATOM 5652 CB VAL A 365 13.636 18.704 10.641 1.00 0.00 C
ATOM 5653 HB VAL A 365 12.948 17.876 10.475 1.00 0.00 H
ATOM 5654 CG1 VAL A 365 13.074 20.045 10.181 1.00 0.00 C
ATOM 5655 1HG1 VAL A 365 12.798 19.981 9.128 1.00 0.00 H
ATOM 5656 2HG1 VAL A 365 12.193 20.293 10.773 1.00 0.00 H
ATOM 5657 3HG1 VAL A 365 13.829 20.820 10.311 1.00 0.00 H
ATOM 5658 CG2 VAL A 365 14.811 18.238 9.759 1.00 0.00 C
ATOM 5659 1HG2 VAL A 365 14.497 18.217 8.716 1.00 0.00 H
ATOM 5660 2HG2 VAL A 365 15.648 18.927 9.873 1.00 0.00 H
ATOM 5661 3HG2 VAL A 365 15.121 17.238 10.065 1.00 0.00 H
ATOM 5662 C VAL A 365 12.822 19.044 13.008 1.00 0.00 C
ATOM 5663 O VAL A 365 11.942 18.194 13.182 1.00 0.00 O
ATOM 5664 N HIP A 366 12.755 20.254 13.526 1.00 0.00 N
ATOM 5665 H HIP A 366 13.490 20.923 13.343 1.00 0.00 H
ATOM 5666 CA HIP A 366 11.623 20.634 14.365 1.00 0.00 C
ATOM 5667 HA HIP A 366 10.741 20.068 14.064 1.00 0.00 H
ATOM 5668 CB HIP A 366 11.855 20.181 15.832 1.00 0.00 C
ATOM 5669 HB1 HIP A 366 10.964 20.391 16.424 1.00 0.00 H
ATOM 5670 HB2 HIP A 366 12.060 19.110 15.854 1.00 0.00 H
ATOM 5671 CG HIP A 366 13.011 20.877 16.490 1.00 0.00 C
ATOM 5672 ND1 HIP A 366 13.048 22.061 17.142 1.00 0.00 N
ATOM 5673 HD1 HIP A 366 12.140 22.629 17.281 1.00 0.00 H
ATOM 5674 CE1 HIP A 366 14.358 22.271 17.501 1.00 0.00 C
ATOM 5675 HE1 HIP A 366 14.617 23.113 17.995 1.00 0.00 H
ATOM 5676 NE2 HIP A 366 15.054 21.225 17.080 1.00 0.00 N
ATOM 5677 HE2 HIP A 366 16.044 21.045 17.178 1.00 0.00 H
ATOM 5678 CD2 HIP A 366 14.281 20.348 16.462 1.00 0.00 C
ATOM 5679 HD2 HIP A 366 14.446 19.454 16.021 1.00 0.00 H
ATOM 5680 C HIP A 366 11.426 22.137 14.251 1.00 0.00 C
ATOM 5681 O HIP A 366 12.011 22.758 13.367 1.00 0.00 O
ATOM 5682 N ASP A 367 10.552 22.703 15.087 1.00 0.00 N
ATOM 5683 H ASP A 367 10.051 22.134 15.755 1.00 0.00 H
ATOM 5684 CA ASP A 367 10.287 24.148 15.072 1.00 0.00 C
ATOM 5685 HA ASP A 367 10.937 24.629 14.342 1.00 0.00 H
ATOM 5686 CB ASP A 367 8.905 24.454 14.443 1.00 0.00 C
ATOM 5687 HB1 ASP A 367 8.719 25.528 14.477 1.00 0.00 H
ATOM 5688 HB2 ASP A 367 8.894 24.117 13.407 1.00 0.00 H
ATOM 5689 CG ASP A 367 7.712 23.801 15.109 1.00 0.00 C
ATOM 5690 OD1 ASP A 367 7.623 23.851 16.351 1.00 0.00 O
ATOM 5691 OD2 ASP A 367 6.829 23.306 14.386 1.00 0.00 O
ATOM 5692 C ASP A 367 10.440 24.682 16.504 1.00 0.00 C
ATOM 5693 O ASP A 367 10.809 23.917 17.395 1.00 0.00 O
ATOM 5694 N GLU A 368 10.193 25.974 16.747 1.00 0.00 N
ATOM 5695 H GLU A 368 9.877 26.577 16.001 1.00 0.00 H
ATOM 5696 CA GLU A 368 10.398 26.466 18.116 1.00 0.00 C
ATOM 5697 HA GLU A 368 11.416 26.244 18.434 1.00 0.00 H
ATOM 5698 CB GLU A 368 10.505 28.004 18.167 1.00 0.00 C
ATOM 5699 HB1 GLU A 368 10.881 28.310 19.144 1.00 0.00 H
ATOM 5700 HB2 GLU A 368 11.189 28.347 17.391 1.00 0.00 H
ATOM 5701 CG GLU A 368 9.205 28.758 17.954 1.00 0.00 C
ATOM 5702 HG1 GLU A 368 8.898 28.667 16.912 1.00 0.00 H
ATOM 5703 HG2 GLU A 368 8.432 28.340 18.598 1.00 0.00 H
ATOM 5704 CD GLU A 368 9.224 30.251 18.249 1.00 0.00 C
ATOM 5705 OE1 GLU A 368 9.450 30.629 19.416 1.00 0.00 O
ATOM 5706 OE2 GLU A 368 8.940 31.043 17.325 1.00 0.00 O
ATOM 5707 C GLU A 368 9.348 25.954 19.110 1.00 0.00 C
ATOM 5708 O GLU A 368 9.550 26.044 20.315 1.00 0.00 O
ATOM 5709 N PHE A 369 8.243 25.390 18.607 1.00 0.00 N
ATOM 5710 H PHE A 369 8.158 25.245 17.611 1.00 0.00 H
ATOM 5711 CA PHE A 369 7.149 24.976 19.486 1.00 0.00 C
ATOM 5712 HA PHE A 369 7.165 25.579 20.394 1.00 0.00 H
ATOM 5713 CB PHE A 369 5.811 25.486 18.894 1.00 0.00 C
ATOM 5714 HB1 PHE A 369 5.640 25.017 17.925 1.00 0.00 H
ATOM 5715 HB2 PHE A 369 4.994 25.232 19.570 1.00 0.00 H
ATOM 5716 CG PHE A 369 5.780 26.984 18.686 1.00 0.00 C
ATOM 5717 CD1 PHE A 369 5.669 27.522 17.411 1.00 0.00 C
ATOM 5718 HD1 PHE A 369 5.602 26.869 16.554 1.00 0.00 H
ATOM 5719 CE1 PHE A 369 5.641 28.911 17.214 1.00 0.00 C
ATOM 5720 HE1 PHE A 369 5.520 29.312 16.218 1.00 0.00 H
ATOM 5721 CZ PHE A 369 5.768 29.764 18.293 1.00 0.00 C
ATOM 5722 HZ PHE A 369 5.755 30.833 18.140 1.00 0.00 H
ATOM 5723 CE2 PHE A 369 5.913 29.245 19.568 1.00 0.00 C
ATOM 5724 HE2 PHE A 369 6.031 29.909 20.412 1.00 0.00 H
ATOM 5725 CD2 PHE A 369 5.907 27.857 19.764 1.00 0.00 C
ATOM 5726 HD2 PHE A 369 6.003 27.466 20.767 1.00 0.00 H
ATOM 5727 C PHE A 369 7.024 23.514 19.854 1.00 0.00 C
ATOM 5728 O PHE A 369 6.398 23.221 20.869 1.00 0.00 O
ATOM 5729 N ARG A 370 7.532 22.599 19.006 1.00 0.00 N
ATOM 5730 H ARG A 370 8.030 22.898 18.180 1.00 0.00 H
ATOM 5731 CA ARG A 370 7.396 21.165 19.223 1.00 0.00 C
ATOM 5732 HA ARG A 370 7.208 20.973 20.280 1.00 0.00 H
ATOM 5733 CB ARG A 370 6.280 20.583 18.316 1.00 0.00 C
ATOM 5734 HB1 ARG A 370 6.481 20.845 17.278 1.00 0.00 H
ATOM 5735 HB2 ARG A 370 6.257 19.498 18.419 1.00 0.00 H
ATOM 5736 CG ARG A 370 4.880 21.091 18.640 1.00 0.00 C
ATOM 5737 HG1 ARG A 370 4.728 21.076 19.720 1.00 0.00 H
ATOM 5738 HG2 ARG A 370 4.769 22.111 18.273 1.00 0.00 H
ATOM 5739 CD ARG A 370 3.818 20.233 17.996 1.00 0.00 C
ATOM 5740 HD1 ARG A 370 3.991 19.188 18.251 1.00 0.00 H
ATOM 5741 HD2 ARG A 370 2.836 20.537 18.358 1.00 0.00 H
ATOM 5742 NE ARG A 370 3.827 20.357 16.532 1.00 0.00 N
ATOM 5743 HE ARG A 370 4.715 20.593 16.111 1.00 0.00 H
ATOM 5744 CZ ARG A 370 2.756 20.179 15.766 1.00 0.00 C
ATOM 5745 NH1 ARG A 370 1.582 19.881 16.313 1.00 0.00 N
ATOM 5746 1HH1 ARG A 370 1.500 19.790 17.316 1.00 0.00 H
ATOM 5747 2HH1 ARG A 370 0.771 19.747 15.727 1.00 0.00 H
ATOM 5748 NH2 ARG A 370 2.846 20.305 14.450 1.00 0.00 N
ATOM 5749 1HH2 ARG A 370 3.733 20.537 14.025 1.00 0.00 H
ATOM 5750 2HH2 ARG A 370 2.029 20.168 13.872 1.00 0.00 H
ATOM 5751 C ARG A 370 8.677 20.463 18.854 1.00 0.00 C
ATOM 5752 O ARG A 370 9.399 20.905 17.975 1.00 0.00 O
ATOM 5753 N THR A 371 8.931 19.340 19.499 1.00 0.00 N
ATOM 5754 H THR A 371 8.310 19.027 20.232 1.00 0.00 H
ATOM 5755 CA THR A 371 10.097 18.524 19.184 1.00 0.00 C
ATOM 5756 HA THR A 371 10.532 18.860 18.242 1.00 0.00 H
ATOM 5757 CB THR A 371 11.219 18.742 20.281 1.00 0.00 C
ATOM 5758 HB THR A 371 11.545 19.782 20.266 1.00 0.00 H
ATOM 5759 CG2 THR A 371 10.753 18.385 21.678 1.00 0.00 C
ATOM 5760 1HG2 THR A 371 11.563 18.555 22.387 1.00 0.00 H
ATOM 5761 2HG2 THR A 371 9.900 19.008 21.947 1.00 0.00 H
ATOM 5762 3HG2 THR A 371 10.459 17.336 21.707 1.00 0.00 H
ATOM 5763 OG1 THR A 371 12.331 17.908 19.984 1.00 0.00 O
ATOM 5764 HG1 THR A 371 12.679 18.134 19.119 1.00 0.00 H
ATOM 5765 C THR A 371 9.644 17.086 19.119 1.00 0.00 C
ATOM 5766 O THR A 371 8.602 16.740 19.709 1.00 0.00 O
ATOM 5767 N ALA A 372 10.417 16.224 18.444 1.00 0.00 N
ATOM 5768 H ALA A 372 11.199 16.564 17.903 1.00 0.00 H
ATOM 5769 CA ALA A 372 10.125 14.788 18.495 1.00 0.00 C
ATOM 5770 HA ALA A 372 9.077 14.621 18.247 1.00 0.00 H
ATOM 5771 CB ALA A 372 11.041 14.014 17.527 1.00 0.00 C
ATOM 5772 HB1 ALA A 372 10.809 12.950 17.578 1.00 0.00 H
ATOM 5773 HB2 ALA A 372 10.880 14.371 16.510 1.00 0.00 H
ATOM 5774 HB3 ALA A 372 12.083 14.173 17.806 1.00 0.00 H
ATOM 5775 C ALA A 372 10.415 14.371 19.954 1.00 0.00 C
ATOM 5776 O ALA A 372 11.056 15.121 20.706 1.00 0.00 O
ATOM 5777 N ALA A 373 9.930 13.211 20.374 1.00 0.00 N
ATOM 5778 H ALA A 373 9.447 12.602 19.728 1.00 0.00 H
ATOM 5779 CA ALA A 373 10.081 12.790 21.769 1.00 0.00 C
ATOM 5780 HA ALA A 373 10.989 13.227 22.184 1.00 0.00 H
ATOM 5781 CB ALA A 373 8.893 13.318 22.587 1.00 0.00 C
ATOM 5782 HB1 ALA A 373 9.000 13.008 23.626 1.00 0.00 H
ATOM 5783 HB2 ALA A 373 8.869 14.406 22.534 1.00 0.00 H
ATOM 5784 HB3 ALA A 373 7.964 12.915 22.182 1.00 0.00 H
ATOM 5785 C ALA A 373 10.147 11.293 21.874 1.00 0.00 C
ATOM 5786 O ALA A 373 9.643 10.607 21.004 1.00 0.00 O
ATOM 5787 N VAL A 374 10.763 10.783 22.934 1.00 0.00 N
ATOM 5788 H VAL A 374 11.234 11.393 23.586 1.00 0.00 H
ATOM 5789 CA VAL A 374 10.818 9.337 23.254 1.00 0.00 C
ATOM 5790 HA VAL A 374 10.053 8.809 22.685 1.00 0.00 H
ATOM 5791 CB VAL A 374 12.142 8.655 22.897 1.00 0.00 C
ATOM 5792 HB VAL A 374 12.968 9.205 23.349 1.00 0.00 H
ATOM 5793 CG1 VAL A 374 12.128 7.195 23.360 1.00 0.00 C
ATOM 5794 1HG1 VAL A 374 13.074 6.722 23.100 1.00 0.00 H
ATOM 5795 2HG1 VAL A 374 11.988 7.158 24.441 1.00 0.00 H
ATOM 5796 3HG1 VAL A 374 11.310 6.666 22.870 1.00 0.00 H
ATOM 5797 CG2 VAL A 374 12.411 8.736 21.384 1.00 0.00 C
ATOM 5798 1HG2 VAL A 374 13.357 8.245 21.156 1.00 0.00 H
ATOM 5799 2HG2 VAL A 374 11.605 8.240 20.843 1.00 0.00 H
ATOM 5800 3HG2 VAL A 374 12.463 9.782 21.079 1.00 0.00 H
ATOM 5801 C VAL A 374 10.572 9.352 24.763 1.00 0.00 C
ATOM 5802 O VAL A 374 11.386 9.884 25.516 1.00 0.00 O
ATOM 5803 N GLU A 375 9.421 8.842 25.194 1.00 0.00 N
ATOM 5804 H GLU A 375 8.819 8.343 24.555 1.00 0.00 H
ATOM 5805 CA GLU A 375 9.004 8.988 26.581 1.00 0.00 C
ATOM 5806 HA GLU A 375 9.871 9.223 27.199 1.00 0.00 H
ATOM 5807 CB GLU A 375 7.890 10.063 26.654 1.00 0.00 C
ATOM 5808 HB1 GLU A 375 7.028 9.734 26.074 1.00 0.00 H
ATOM 5809 HB2 GLU A 375 7.594 10.211 27.692 1.00 0.00 H
ATOM 5810 CG GLU A 375 8.302 11.419 26.110 1.00 0.00 C
ATOM 5811 HG1 GLU A 375 9.080 11.844 26.744 1.00 0.00 H
ATOM 5812 HG2 GLU A 375 8.684 11.303 25.095 1.00 0.00 H
ATOM 5813 CD GLU A 375 7.222 12.470 26.025 1.00 0.00 C
ATOM 5814 OE1 GLU A 375 7.416 13.540 26.634 1.00 0.00 O
ATOM 5815 OE2 GLU A 375 6.226 12.265 25.298 1.00 0.00 O
ATOM 5816 C GLU A 375 8.426 7.734 27.133 1.00 0.00 C
ATOM 5817 O GLU A 375 7.817 6.964 26.409 1.00 0.00 O
ATOM 5818 N GLY A 376 8.518 7.612 28.453 1.00 0.00 N
ATOM 5819 H GLY A 376 8.999 8.318 28.993 1.00 0.00 H
ATOM 5820 CA GLY A 376 7.943 6.482 29.158 1.00 0.00 C
ATOM 5821 HA1 GLY A 376 6.859 6.489 29.036 1.00 0.00 H
ATOM 5822 HA2 GLY A 376 8.347 5.555 28.752 1.00 0.00 H
ATOM 5823 C GLY A 376 8.236 6.499 30.645 1.00 0.00 C
ATOM 5824 O GLY A 376 8.913 7.404 31.146 1.00 0.00 O
ATOM 5825 N PRO A 377 7.813 5.446 31.358 1.00 0.00 N
ATOM 5826 CD PRO A 377 8.126 5.300 32.800 1.00 0.00 C
ATOM 5827 HD1 PRO A 377 7.623 6.085 33.364 1.00 0.00 H
ATOM 5828 HD2 PRO A 377 9.203 5.379 32.948 1.00 0.00 H
ATOM 5829 CG PRO A 377 7.600 3.916 33.149 1.00 0.00 C
ATOM 5830 HG1 PRO A 377 6.630 3.972 33.643 1.00 0.00 H
ATOM 5831 HG2 PRO A 377 8.299 3.372 33.783 1.00 0.00 H
ATOM 5832 CB PRO A 377 7.453 3.202 31.836 1.00 0.00 C
ATOM 5833 HB1 PRO A 377 6.681 2.433 31.869 1.00 0.00 H
ATOM 5834 HB2 PRO A 377 8.391 2.761 31.499 1.00 0.00 H
ATOM 5835 CA PRO A 377 7.031 4.306 30.867 1.00 0.00 C
ATOM 5836 HA PRO A 377 7.244 4.147 29.810 1.00 0.00 H
ATOM 5837 C PRO A 377 5.521 4.545 30.966 1.00 0.00 C
ATOM 5838 O PRO A 377 5.080 5.499 31.598 1.00 0.00 O
ATOM 5839 N PHE A 378 4.736 3.680 30.321 1.00 0.00 N
ATOM 5840 H PHE A 378 5.146 2.960 29.744 1.00 0.00 H
ATOM 5841 CA PHE A 378 3.282 3.689 30.381 1.00 0.00 C
ATOM 5842 HA PHE A 378 2.953 4.410 31.130 1.00 0.00 H
ATOM 5843 CB PHE A 378 2.645 4.098 29.044 1.00 0.00 C
ATOM 5844 HB1 PHE A 378 2.931 3.384 28.272 1.00 0.00 H
ATOM 5845 HB2 PHE A 378 1.560 4.108 29.146 1.00 0.00 H
ATOM 5846 CG PHE A 378 3.080 5.464 28.594 1.00 0.00 C
ATOM 5847 CD1 PHE A 378 4.157 5.616 27.729 1.00 0.00 C
ATOM 5848 HD1 PHE A 378 4.678 4.746 27.357 1.00 0.00 H
ATOM 5849 CE1 PHE A 378 4.578 6.881 27.330 1.00 0.00 C
ATOM 5850 HE1 PHE A 378 5.399 6.983 26.636 1.00 0.00 H
ATOM 5851 CZ PHE A 378 3.951 8.004 27.818 1.00 0.00 C
ATOM 5852 HZ PHE A 378 4.283 8.985 27.511 1.00 0.00 H
ATOM 5853 CE2 PHE A 378 2.892 7.875 28.705 1.00 0.00 C
ATOM 5854 HE2 PHE A 378 2.399 8.755 29.092 1.00 0.00 H
ATOM 5855 CD2 PHE A 378 2.466 6.612 29.095 1.00 0.00 C
ATOM 5856 HD2 PHE A 378 1.649 6.524 29.796 1.00 0.00 H
ATOM 5857 C PHE A 378 2.829 2.289 30.748 1.00 0.00 C
ATOM 5858 O PHE A 378 3.404 1.304 30.287 1.00 0.00 O
ATOM 5859 N VAL A 379 1.815 2.185 31.603 1.00 0.00 N
ATOM 5860 H VAL A 379 1.413 3.016 32.013 1.00 0.00 H
ATOM 5861 CA VAL A 379 1.292 0.865 31.942 1.00 0.00 C
ATOM 5862 HA VAL A 379 2.119 0.196 32.179 1.00 0.00 H
ATOM 5863 CB VAL A 379 0.458 0.888 33.236 1.00 0.00 C
ATOM 5864 HB VAL A 379 -0.288 1.680 33.174 1.00 0.00 H
ATOM 5865 CG1 VAL A 379 -0.188 -0.469 33.479 1.00 0.00 C
ATOM 5866 1HG1 VAL A 379 -0.773 -0.434 34.398 1.00 0.00 H
ATOM 5867 2HG1 VAL A 379 -0.841 -0.717 32.642 1.00 0.00 H
ATOM 5868 3HG1 VAL A 379 0.588 -1.230 33.571 1.00 0.00 H
ATOM 5869 CG2 VAL A 379 1.321 1.302 34.431 1.00 0.00 C
ATOM 5870 1HG2 VAL A 379 0.712 1.311 35.334 1.00 0.00 H
ATOM 5871 2HG2 VAL A 379 2.140 0.592 34.552 1.00 0.00 H
ATOM 5872 3HG2 VAL A 379 1.728 2.299 34.257 1.00 0.00 H
ATOM 5873 C VAL A 379 0.460 0.401 30.724 1.00 0.00 C
ATOM 5874 O VAL A 379 -0.437 1.123 30.275 1.00 0.00 O
ATOM 5875 N THR A 380 0.821 -0.757 30.148 1.00 0.00 N
ATOM 5876 H THR A 380 1.611 -1.275 30.505 1.00 0.00 H
ATOM 5877 CA THR A 380 0.105 -1.318 28.999 1.00 0.00 C
ATOM 5878 HA THR A 380 -0.818 -0.761 28.839 1.00 0.00 H
ATOM 5879 CB THR A 380 0.830 -1.021 27.681 1.00 0.00 C
ATOM 5880 HB THR A 380 1.707 -1.662 27.596 1.00 0.00 H
ATOM 5881 CG2 THR A 380 -0.055 -1.298 26.467 1.00 0.00 C
ATOM 5882 1HG2 THR A 380 0.498 -1.075 25.555 1.00 0.00 H
ATOM 5883 2HG2 THR A 380 -0.351 -2.347 26.464 1.00 0.00 H
ATOM 5884 3HG2 THR A 380 -0.945 -0.670 26.514 1.00 0.00 H
ATOM 5885 OG1 THR A 380 1.218 0.349 27.668 1.00 0.00 O
ATOM 5886 HG1 THR A 380 2.058 0.440 27.213 1.00 0.00 H
ATOM 5887 C THR A 380 -0.114 -2.801 29.215 1.00 0.00 C
ATOM 5888 O THR A 380 0.848 -3.524 29.458 1.00 0.00 O
ATOM 5889 N LEU A 381 -1.373 -3.266 29.133 1.00 0.00 N
ATOM 5890 H LEU A 381 -2.132 -2.635 28.916 1.00 0.00 H
ATOM 5891 CA LEU A 381 -1.651 -4.694 29.358 1.00 0.00 C
ATOM 5892 HA LEU A 381 -0.877 -5.119 29.998 1.00 0.00 H
ATOM 5893 CB LEU A 381 -2.892 -4.881 30.246 1.00 0.00 C
ATOM 5894 HB1 LEU A 381 -3.773 -4.509 29.724 1.00 0.00 H
ATOM 5895 HB2 LEU A 381 -3.023 -5.940 30.469 1.00 0.00 H
ATOM 5896 CG LEU A 381 -2.892 -4.172 31.607 1.00 0.00 C
ATOM 5897 HG LEU A 381 -2.663 -3.116 31.467 1.00 0.00 H
ATOM 5898 CD1 LEU A 381 -4.207 -4.372 32.291 1.00 0.00 C
ATOM 5899 1HD1 LEU A 381 -4.197 -3.865 33.255 1.00 0.00 H
ATOM 5900 2HD1 LEU A 381 -5.005 -3.960 31.672 1.00 0.00 H
ATOM 5901 3HD1 LEU A 381 -4.380 -5.438 32.443 1.00 0.00 H
ATOM 5902 CD2 LEU A 381 -1.739 -4.644 32.515 1.00 0.00 C
ATOM 5903 1HD2 LEU A 381 -1.784 -4.112 33.466 1.00 0.00 H
ATOM 5904 2HD2 LEU A 381 -1.832 -5.715 32.694 1.00 0.00 H
ATOM 5905 3HD2 LEU A 381 -0.786 -4.439 32.029 1.00 0.00 H
ATOM 5906 C LEU A 381 -1.803 -5.507 28.083 1.00 0.00 C
ATOM 5907 O LEU A 381 -2.080 -4.943 27.026 1.00 0.00 O
ATOM 5908 N ASP A 382 -1.629 -6.842 28.198 1.00 0.00 N
ATOM 5909 H ASP A 382 -1.367 -7.242 29.088 1.00 0.00 H
ATOM 5910 CA ASP A 382 -1.787 -7.830 27.121 1.00 0.00 C
ATOM 5911 HA ASP A 382 -1.449 -8.806 27.469 1.00 0.00 H
ATOM 5912 CB ASP A 382 -3.290 -8.082 26.871 1.00 0.00 C
ATOM 5913 HB1 ASP A 382 -3.772 -7.148 26.579 1.00 0.00 H
ATOM 5914 HB2 ASP A 382 -3.409 -8.816 26.074 1.00 0.00 H
ATOM 5915 CG ASP A 382 -4.039 -8.611 28.079 1.00 0.00 C
ATOM 5916 OD1 ASP A 382 -3.666 -9.697 28.582 1.00 0.00 O
ATOM 5917 OD2 ASP A 382 -5.003 -7.948 28.514 1.00 0.00 O
ATOM 5918 C ASP A 382 -1.077 -7.445 25.815 1.00 0.00 C
ATOM 5919 O ASP A 382 -1.620 -7.639 24.723 1.00 0.00 O
ATOM 5920 N MET A 383 0.146 -6.922 25.933 1.00 0.00 N
ATOM 5921 H MET A 383 0.567 -6.825 26.846 1.00 0.00 H
ATOM 5922 CA MET A 383 0.923 -6.470 24.766 1.00 0.00 C
ATOM 5923 HA MET A 383 0.374 -5.685 24.246 1.00 0.00 H
ATOM 5924 CB MET A 383 2.151 -5.665 25.197 1.00 0.00 C
ATOM 5925 HB1 MET A 383 2.751 -6.259 25.886 1.00 0.00 H
ATOM 5926 HB2 MET A 383 2.747 -5.414 24.320 1.00 0.00 H
ATOM 5927 CG MET A 383 1.799 -4.370 25.898 1.00 0.00 C
ATOM 5928 HG1 MET A 383 1.113 -3.795 25.276 1.00 0.00 H
ATOM 5929 HG2 MET A 383 1.324 -4.590 26.854 1.00 0.00 H
ATOM 5930 SD MET A 383 3.279 -3.376 26.200 1.00 0.00 S
ATOM 5931 CE MET A 383 4.085 -4.400 27.432 1.00 0.00 C
ATOM 5932 HE1 MET A 383 5.022 -3.935 27.735 1.00 0.00 H
ATOM 5933 HE2 MET A 383 3.434 -4.505 28.300 1.00 0.00 H
ATOM 5934 HE3 MET A 383 4.288 -5.384 27.010 1.00 0.00 H
ATOM 5935 C MET A 383 1.313 -7.615 23.833 1.00 0.00 C
ATOM 5936 O MET A 383 1.452 -7.396 22.631 1.00 0.00 O
ATOM 5937 N GLU A 384 1.446 -8.850 24.389 1.00 0.00 N
ATOM 5938 H GLU A 384 1.325 -8.971 25.385 1.00 0.00 H
ATOM 5939 CA GLU A 384 1.764 -10.064 23.626 1.00 0.00 C
ATOM 5940 HA GLU A 384 2.728 -9.942 23.133 1.00 0.00 H
ATOM 5941 CB GLU A 384 1.941 -11.284 24.555 1.00 0.00 C
ATOM 5942 HB1 GLU A 384 1.046 -11.411 25.164 1.00 0.00 H
ATOM 5943 HB2 GLU A 384 2.100 -12.180 23.954 1.00 0.00 H
ATOM 5944 CG GLU A 384 3.120 -11.186 25.519 1.00 0.00 C
ATOM 5945 HG1 GLU A 384 3.020 -10.286 26.126 1.00 0.00 H
ATOM 5946 HG2 GLU A 384 3.133 -12.061 26.169 1.00 0.00 H
ATOM 5947 CD GLU A 384 4.498 -11.113 24.891 1.00 0.00 C
ATOM 5948 OE1 GLU A 384 4.712 -11.745 23.834 1.00 0.00 O
ATOM 5949 OE2 GLU A 384 5.377 -10.441 25.477 1.00 0.00 O
ATOM 5950 C GLU A 384 0.651 -10.342 22.600 1.00 0.00 C
ATOM 5951 O GLU A 384 0.928 -10.880 21.525 1.00 0.00 O
ATOM 5952 N ASP A 385 -0.596 -9.934 22.926 1.00 0.00 N
ATOM 5953 H ASP A 385 -0.769 -9.506 23.825 1.00 0.00 H
ATOM 5954 CA ASP A 385 -1.746 -10.073 22.044 1.00 0.00 C
ATOM 5955 HA ASP A 385 -1.808 -11.101 21.687 1.00 0.00 H
ATOM 5956 CB ASP A 385 -3.067 -9.883 22.811 1.00 0.00 C
ATOM 5957 HB1 ASP A 385 -3.073 -8.902 23.287 1.00 0.00 H
ATOM 5958 HB2 ASP A 385 -3.904 -9.955 22.118 1.00 0.00 H
ATOM 5959 CG ASP A 385 -3.305 -10.909 23.904 1.00 0.00 C
ATOM 5960 OD1 ASP A 385 -3.190 -12.121 23.619 1.00 0.00 O
ATOM 5961 OD2 ASP A 385 -3.626 -10.503 25.037 1.00 0.00 O
ATOM 5962 C ASP A 385 -1.694 -9.100 20.869 1.00 0.00 C
ATOM 5963 O ASP A 385 -2.500 -9.238 19.963 1.00 0.00 O
ATOM 5964 N CYS A 386 -0.789 -8.103 20.878 1.00 0.00 N
ATOM 5965 H CYS A 386 -0.150 -8.008 21.654 1.00 0.00 H
ATOM 5966 CA CYS A 386 -0.731 -7.156 19.762 1.00 0.00 C
ATOM 5967 HA CYS A 386 -1.738 -6.817 19.520 1.00 0.00 H
ATOM 5968 CB CYS A 386 -0.130 -5.818 20.190 1.00 0.00 C
ATOM 5969 HB1 CYS A 386 0.885 -5.974 20.554 1.00 0.00 H
ATOM 5970 HB2 CYS A 386 -0.110 -5.139 19.338 1.00 0.00 H
ATOM 5971 SG CYS A 386 -1.038 -4.982 21.508 1.00 0.00 S
ATOM 5972 C CYS A 386 -0.005 -7.730 18.564 1.00 0.00 C
ATOM 5973 O CYS A 386 -0.151 -7.219 17.462 1.00 0.00 O
ATOM 5974 N GLY A 387 0.796 -8.762 18.792 1.00 0.00 N
ATOM 5975 H GLY A 387 0.893 -9.129 19.728 1.00 0.00 H
ATOM 5976 CA GLY A 387 1.566 -9.417 17.744 1.00 0.00 C
ATOM 5977 HA1 GLY A 387 2.016 -8.663 17.098 1.00 0.00 H
ATOM 5978 HA2 GLY A 387 2.350 -10.025 18.194 1.00 0.00 H
ATOM 5979 C GLY A 387 0.689 -10.309 16.902 1.00 0.00 C
ATOM 5980 O GLY A 387 -0.219 -10.955 17.422 1.00 0.00 O
ATOM 5981 N TYR A 388 0.946 -10.350 15.595 1.00 0.00 N
ATOM 5982 H TYR A 388 1.694 -9.792 15.209 1.00 0.00 H
ATOM 5983 CA TYR A 388 0.177 -11.183 14.683 1.00 0.00 C
ATOM 5984 HA TYR A 388 -0.852 -11.254 15.036 1.00 0.00 H
ATOM 5985 CB TYR A 388 0.020 -10.483 13.319 1.00 0.00 C
ATOM 5986 HB1 TYR A 388 -0.504 -9.537 13.454 1.00 0.00 H
ATOM 5987 HB2 TYR A 388 1.005 -10.295 12.891 1.00 0.00 H
ATOM 5988 CG TYR A 388 -0.763 -11.282 12.297 1.00 0.00 C
ATOM 5989 CD1 TYR A 388 -2.152 -11.359 12.358 1.00 0.00 C
ATOM 5990 HD1 TYR A 388 -2.688 -10.827 13.129 1.00 0.00 H
ATOM 5991 CE1 TYR A 388 -2.873 -12.115 11.437 1.00 0.00 C
ATOM 5992 HE1 TYR A 388 -3.948 -12.188 11.522 1.00 0.00 H
ATOM 5993 CZ TYR A 388 -2.207 -12.770 10.415 1.00 0.00 C
ATOM 5994 OH TYR A 388 -2.912 -13.506 9.494 1.00 0.00 O
ATOM 5995 HH TYR A 388 -3.849 -13.465 9.700 1.00 0.00 H
ATOM 5996 CE2 TYR A 388 -0.827 -12.720 10.346 1.00 0.00 C
ATOM 5997 HE2 TYR A 388 -0.303 -13.257 9.569 1.00 0.00 H
ATOM 5998 CD2 TYR A 388 -0.113 -11.976 11.282 1.00 0.00 C
ATOM 5999 HD2 TYR A 388 0.964 -11.943 11.209 1.00 0.00 H
ATOM 6000 C TYR A 388 0.804 -12.566 14.515 1.00 0.00 C
ATOM 6001 O TYR A 388 2.029 -12.705 14.505 1.00 0.00 O
ATOM 6002 N ASN A 389 -0.059 -13.588 14.375 1.00 0.00 N
ATOM 6003 H ASN A 389 -1.053 -13.422 14.443 1.00 0.00 H
ATOM 6004 CA ASN A 389 0.337 -14.971 14.124 1.00 0.00 C
ATOM 6005 HA ASN A 389 1.401 -15.008 13.892 1.00 0.00 H
ATOM 6006 CB ASN A 389 0.168 -15.830 15.377 1.00 0.00 C
ATOM 6007 HB1 ASN A 389 -0.866 -15.775 15.720 1.00 0.00 H
ATOM 6008 HB2 ASN A 389 0.418 -16.865 15.145 1.00 0.00 H
ATOM 6009 CG ASN A 389 1.038 -15.411 16.530 1.00 0.00 C
ATOM 6010 OD1 ASN A 389 2.265 -15.477 16.470 1.00 0.00 O
ATOM 6011 ND2 ASN A 389 0.411 -15.036 17.628 1.00 0.00 N
ATOM 6012 1HD2 ASN A 389 -0.598 -15.041 17.660 1.00 0.00 H
ATOM 6013 2HD2 ASN A 389 0.941 -14.743 18.437 1.00 0.00 H
ATOM 6014 C ASN A 389 -0.527 -15.505 12.963 1.00 0.00 C
ATOM 6015 O ASN A 389 -1.750 -15.363 12.996 1.00 0.00 O
ATOM 6016 N ILE A 390 0.126 -16.074 11.931 1.00 0.00 N
ATOM 6017 H ILE A 390 1.132 -16.160 11.955 1.00 0.00 H
ATOM 6018 CA ILE A 390 -0.504 -16.609 10.710 1.00 0.00 C
ATOM 6019 HA ILE A 390 -0.999 -15.800 10.171 1.00 0.00 H
ATOM 6020 CB ILE A 390 0.539 -16.899 9.581 1.00 0.00 C
ATOM 6021 HB ILE A 390 1.093 -17.807 9.822 1.00 0.00 H
ATOM 6022 CG2 ILE A 390 -0.161 -17.347 8.284 1.00 0.00 C
ATOM 6023 1HG2 ILE A 390 0.587 -17.542 7.516 1.00 0.00 H
ATOM 6024 2HG2 ILE A 390 -0.732 -18.255 8.474 1.00 0.00 H
ATOM 6025 3HG2 ILE A 390 -0.833 -16.559 7.943 1.00 0.00 H
ATOM 6026 CG1 ILE A 390 1.482 -15.685 9.326 1.00 0.00 C
ATOM 6027 1HG1 ILE A 390 0.927 -14.891 8.827 1.00 0.00 H
ATOM 6028 2HG1 ILE A 390 1.867 -15.317 10.277 1.00 0.00 H
ATOM 6029 CD ILE A 390 2.749 -15.969 8.421 1.00 0.00 C
ATOM 6030 HD1 ILE A 390 3.331 -15.054 8.313 1.00 0.00 H
ATOM 6031 HD2 ILE A 390 3.365 -16.738 8.889 1.00 0.00 H
ATOM 6032 HD3 ILE A 390 2.425 -16.312 7.439 1.00 0.00 H
ATOM 6033 C ILE A 390 -1.418 -17.823 10.970 1.00 0.00 C
ATOM 6034 OC1 ILE A 390 -1.759 -18.351 10.192 1.00 0.00
ATOM 6035 OC2 ILE A 390 -1.739 -18.159 12.110 1.00 0.00 O
Display the source blob
Display the rendered blob
Raw
toolkit.ipynb
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Raw
utils.py
from typing import Any, Sequence, Tuple, Union, Iterable, Dict, Optional, List
import re
from IPython.display import SVG
from openff.toolkit.topology import FrozenMolecule
from rdkit import Chem
from rdkit.Chem import Draw
from rdkit.Chem.rdDepictor import Compute2DCoords
from rdkit.Geometry.rdGeometry import Point2D
from openff.fragmenter.fragment import Fragment
from openff.toolkit.topology import Molecule
from openff.toolkit.utils import RDKitToolkitWrapper
__all__ = [
"DEFAULT_WIDTH",
"DEFAULT_HEIGHT",
"draw_molecule",
"widgetify",
"display_in_grid",
"visualize_grid",
"smiles_to_smarts",
"depict_fragment",
]
DEFAULT_WIDTH = 300
DEFAULT_HEIGHT = 200
Color = Iterable[float]
BondIndices = Tuple[int, int]
def draw_molecule(
molecule: Union[Molecule, Chem.Mol],
image_width: int = DEFAULT_WIDTH,
image_height: int = DEFAULT_HEIGHT,
highlight_atoms: Optional[Union[List[int], Dict[int, Color]]] = None,
highlight_bonds: Optional[
Union[List[BondIndices], Dict[BondIndices, Color]]
] = None,
atom_notes: Optional[Dict[int, str]] = None,
bond_notes: Optional[Dict[BondIndices, str]] = None,
emphasize_atoms: Optional[List[int]] = None,
explicit_hydrogens: Optional[bool] = None,
color_by_element: Optional[bool] = None,
) -> SVG:
"""Draw a molecule
Parameters
==========
molecule
The molecule to draw.
image_width
The width of the resulting image in pixels.
image_height
The height of the resulting image in pixels.
highlight_atoms
A list of atom indices to highlight, or a map from indices to colors.
Colors should be given as triplets of floats between 0.0 and 1.0.
highlight_bonds
A list of pairs of atom indices indicating bonds to highlight, or a map
from index pairs to colors. Colors should be given as triplets of floats
between 0.0 and 1.0.
atom_notes
A map from atom indices to a string that should be printed near the
atom.
bond_notes
A map from atom index pairs to a string that should be printed near the
bond.
emphasize_atoms
A list of atom indices to emphasize by drawing other atoms (and their
bonds) in light grey.
explicit_hydrogens
If ``False``, allow uncharged monovalent hydrogens to be hidden. If
``True``, make all hydrogens explicit. If ``None``, defer to the
provided molecule.
color_by_element
If True, color heteroatoms according to their element; if False, color
atoms and bonds monochromatically. By default, uses black and white when
highlight_atoms or highlight_bonds is provided, and color otherwise.
Raises
======
KeyError
When an atom or bond in highlight_atoms or highlight_bonds is missing
from the image, including when it is present in the molecule but hidden.
"""
# We're working in RDKit
if isinstance(molecule, FrozenMolecule):
rdmol = molecule.to_rdkit()
else:
rdmol = Chem.mol(molecule)
# Process color_by_element argument
if color_by_element is None:
color_by_element = highlight_atoms is None and highlight_bonds is None
if color_by_element:
set_atom_palette = lambda draw_options: draw_options.useDefaultAtomPalette()
else:
set_atom_palette = lambda draw_options: draw_options.useBWAtomPalette()
# Process explicit_hydrogens argument
# If we need to remove atoms, create a map from the original indices to the
# new ones.
if explicit_hydrogens is None:
idx_map = {i: i for i in range(rdmol.GetNumAtoms())}
elif explicit_hydrogens:
idx_map = {i: i for i in range(rdmol.GetNumAtoms())}
rdmol = Chem.AddHs(rdmol, explicitOnly=True)
else:
idx_map = {
old: new
for new, old in enumerate(
a.GetIdx()
for a in rdmol.GetAtoms()
if a.GetAtomicNum() != 1 and a.GetMass() != 1
)
}
rdmol = Chem.RemoveHs(rdmol, updateExplicitCount=True)
# Process highlight_atoms argument for highlightAtoms and highlightAtomColors
# highlightAtoms takes a list of atom indices
# highlightAtomColors takes a mapping from atom indices to colors
if highlight_atoms is None:
highlight_atoms = []
highlight_atom_colors = None
elif isinstance(highlight_atoms, dict):
highlight_atom_colors = {
idx_map[i]: tuple(c) for i, c in highlight_atoms.items() if i in idx_map
}
highlight_atoms = list(highlight_atoms.keys())
else:
highlight_atoms = [idx_map[i] for i in highlight_atoms if i in idx_map]
highlight_atom_colors = None
# Process highlight_bonds argument for highlightBonds and highlightBondColors
# highlightBonds takes a list of bond indices
# highlightBondColors takes a mapping from bond indices to colors
if highlight_bonds is None:
highlight_bonds = []
highlight_bond_colors = None
elif isinstance(highlight_bonds, dict):
highlight_bond_colors = {
rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b]).GetIdx(): tuple(v)
for (i_a, i_b), v in highlight_bonds.items()
if i_a in idx_map and i_b in idx_map
}
highlight_bonds = list(highlight_bond_colors.keys())
else:
highlight_bonds = [
rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b]).GetIdx()
for i_a, i_b in highlight_bonds
if i_a in idx_map and i_b in idx_map
]
highlight_bond_colors = None
# Process bond_notes argument and place notes in the molecule
if bond_notes is not None:
for (i_a, i_b), note in bond_notes.items():
if i_a not in idx_map or i_b not in idx_map:
continue
rdbond = rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b])
rdbond.SetProp("bondNote", note)
# Process atom_notes argument and place notes in the molecule
if atom_notes is not None:
for i, note in atom_notes.items():
if i not in idx_map:
continue
rdatom = rdmol.GetAtomWithIdx(idx_map[i])
rdatom.SetProp("atomNote", note)
# Fix kekulization so it is the same for all drawn molecules
Chem.rdmolops.Kekulize(rdmol, clearAromaticFlags=True)
# Compute 2D coordinates
Compute2DCoords(rdmol)
# Construct the drawing object and get a handle to its options
drawer = Draw.MolDraw2DSVG(image_width, image_height)
draw_options = drawer.drawOptions()
# Specify the scale to fit all atoms
# This is important for emphasize_atoms
coords_2d = next(rdmol.GetConformers()).GetPositions()[..., (0, 1)]
drawer.SetScale(
image_width,
image_height,
Point2D(*(coords_2d.min(axis=0) - 1.0)),
Point2D(*(coords_2d.max(axis=0) + 1.0)),
)
# Set the colors used for each element according to the emphasize_atoms and
# color_by_element arguments
if emphasize_atoms:
draw_options.setAtomPalette(
{i: (0.8, 0.8, 0.8) for i in range(rdmol.GetNumAtoms())}
)
else:
set_atom_palette(draw_options)
# Draw the molecule
# Note that if emphasize_atoms is used, this will be the un-emphasized parts
# of the molecule
drawer.DrawMolecule(
rdmol,
highlightAtoms=highlight_atoms,
highlightAtomColors=highlight_atom_colors,
highlightBonds=highlight_bonds,
highlightBondColors=highlight_bond_colors,
)
# Draw an overlapping molecule for the emphasized atoms
if emphasize_atoms:
# Set the atom palette according to the color_by_element argument
set_atom_palette(draw_options)
# Create a copy of the molecule that removes atoms that aren't emphasized
emphasized = Chem.rdchem.RWMol(rdmol)
emphasized.BeginBatchEdit()
for i in set(idx_map) - set(emphasize_atoms):
emphasized.RemoveAtom(idx_map[i])
emphasized.CommitBatchEdit()
# Draw the molecule. The scale has been fixed and we're re-using the
# same coordinates, so this will overlap the background molecule
drawer.DrawMolecule(emphasized)
# Finalize the SVG
drawer.FinishDrawing()
# Return an SVG object that we can view in notebook
svg_contents = drawer.GetDrawingText()
return SVG(svg_contents)
def widgetify(obj, layout: Optional[Dict] = None, **kwargs):
"""Convert an object that can display in a notebook to a widget
Parameters
==========
layout
The widget layout. See `https://ipywidgets.readthedocs.io/en/latest/examples/Widget%20Layout.html`_
**kwargs
Passed on to ``display()``. See `https://ipython.readthedocs.io/en/stable/api/generated/IPython.display.html#IPython.display.display`_
"""
import ipywidgets
from IPython.display import display
if layout is None:
layout = {}
widget = ipywidgets.Output(layout=layout)
with widget:
display(obj, **kwargs)
return widget
def display_in_grid(
objs: Sequence[Any],
width: int = DEFAULT_WIDTH,
):
"""Display a sequence of objects in a grid
Parameters
==========
objs
Sequence of objects to place in the grid
width
width of each object, in pixels
"""
import ipywidgets
widgets = [widgetify(obj) for obj in objs]
width_with_padding = width + width // 20
return ipywidgets.GridBox(
widgets,
layout=ipywidgets.Layout(
grid_template_columns=f"repeat(auto-fill, {width_with_padding}px)"
),
)
def smiles_to_smarts(smiles: str, keep_mappings: Optional[Sequence[int]] = None):
"""
Convert a fragment smiles to a SMARTS, optionally keeping only some mappings
Removes unmapped atoms, as they are added to satisfy a valence model and
may not be present in the parent molecule. Then removes any maps that are
not given in keep_mappings, and re-numbers the remaining mappings to be
consecutive and start at 1.
Parameters
==========
smiles
The SMILES to process
keep_mappings
A list of mapping indexes to keep. The indices will be remapped in order
to consecutive values starting at 1. If unspecified or ``None``, all
existing indices will be kept (and remapped if they are not contiguous).
"""
if keep_mappings is None:
keep_mappings = sorted(
[int(m[0]) for m in re.finditer(r"(?<=:)\d+(?=\])", smiles)]
)
no_unmapped = re.sub(r"\[[^:\]]+\]", r"", smiles)
keep_mappings_pattern = "(" + r"|".join([str(i) for i in keep_mappings]) + r")"
no_other_mapped = re.sub(
r":(?!" + keep_mappings_pattern + r"\])\d+(?=\])", r"", no_unmapped
)
renumbered = no_other_mapped
for new, old in enumerate(keep_mappings, start=1):
renumbered = re.sub(r":" + str(old) + r"\]", r":" + str(new) + r"]", renumbered)
smiles_out = renumbered
while "()" in smiles_out:
smiles_out = renumbered.replace("()", "")
return smiles_out
def depict_fragment(
parent: Molecule,
fragment: Fragment,
width: int = DEFAULT_WIDTH,
height: int = DEFAULT_HEIGHT,
):
"""Depict a fragment of the parent molecule"""
bond_smarts = smiles_to_smarts(fragment.smiles, fragment.bond_indices)
bond_matches = [match for match in parent.chemical_environment_matches(bond_smarts)]
bond = bond_matches[0]
fragment_smarts = smiles_to_smarts(fragment.smiles)
fragment_matches = [
match
for match in parent.chemical_environment_matches(
fragment_smarts, toolkit_registry=RDKitToolkitWrapper()
)
]
fragment_indices = fragment_matches[0]
return draw_molecule(
molecule=parent,
highlight_bonds=[bond],
emphasize_atoms=fragment_indices,
image_width=width,
image_height=height,
explicit_hydrogens=False,
)
Raw
utils_toolkit.py
from typing import Literal, Tuple, Union, Iterable, Dict, Optional, List
import uuid
from io import StringIO
from IPython.display import SVG
from openff.toolkit.topology import FrozenMolecule
from rdkit import Chem
from rdkit.Chem import Draw
from rdkit.Chem.rdDepictor import Compute2DCoords
from rdkit.Geometry.rdGeometry import Point2D
import numpy as np
from numpy.typing import ArrayLike, NDArray
import nglview
from nglview.base_adaptor import Structure, Trajectory
from pdbfixer import PDBFixer
from openff.units import Quantity, unit
from openff.units.openmm import from_openmm
from openff.toolkit import Molecule, ForceField, Topology
from openff.toolkit.typing.engines.smirnoff.parameters import BondType, ParameterType
from openff.toolkit.utils.exceptions import ParameterLookupError
DEFAULT_WIDTH = 300
DEFAULT_HEIGHT = 200
Color = Iterable[float]
BondIndices = Tuple[int, int]
MOLECULE_DEFAULT_REPS = [
dict(type="licorice", params=dict(radius=0.25, multipleBond=True))
]
CUBE = np.array(
[
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.0, 0.0, 1.0],
]
)
"""A regular square prism with image distance 1.0 and volume 1.0."""
RHOMBIC_DODECAHEDRON = np.array(
[
[1.0, 0.0, 0.0],
[0.0, 1.0, 0.0],
[0.5, 0.5, np.sqrt(2.0) / 2.0],
]
)
"""A rhombic dodecahedron with image distance 1.0 and volume ~0.71."""
def draw_molecule(
molecule: Union[Molecule, Chem.Mol],
image_width: int = DEFAULT_WIDTH,
image_height: int = DEFAULT_HEIGHT,
highlight_atoms: Optional[Union[List[int], Dict[int, Color]]] = None,
highlight_bonds: Optional[
Union[List[BondIndices], Dict[BondIndices, Color]]
] = None,
atom_notes: Optional[Dict[int, str]] = None,
bond_notes: Optional[Dict[BondIndices, str]] = None,
emphasize_atoms: Optional[List[int]] = None,
explicit_hydrogens: Optional[bool] = None,
color_by_element: Optional[bool] = None,
) -> SVG:
"""Draw a molecule
Parameters
==========
molecule
The molecule to draw.
image_width
The width of the resulting image in pixels.
image_height
The height of the resulting image in pixels.
highlight_atoms
A list of atom indices to highlight, or a map from indices to colors.
Colors should be given as triplets of floats between 0.0 and 1.0.
highlight_bonds
A list of pairs of atom indices indicating bonds to highlight, or a map
from index pairs to colors. Colors should be given as triplets of floats
between 0.0 and 1.0.
atom_notes
A map from atom indices to a string that should be printed near the
atom.
bond_notes
A map from atom index pairs to a string that should be printed near the
bond.
emphasize_atoms
A list of atom indices to emphasize by drawing other atoms (and their
bonds) in light grey.
explicit_hydrogens
If ``False``, allow uncharged monovalent hydrogens to be hidden. If
``True``, make all hydrogens explicit. If ``None``, defer to the
provided molecule.
color_by_element
If True, color heteroatoms according to their element; if False, color
atoms and bonds monochromatically. By default, uses black and white when
highlight_atoms or highlight_bonds is provided, and color otherwise.
Raises
======
KeyError
When an atom or bond in highlight_atoms or highlight_bonds is missing
from the image, including when it is present in the molecule but hidden.
"""
# We're working in RDKit
if isinstance(molecule, FrozenMolecule):
rdmol = molecule.to_rdkit()
else:
rdmol = Chem.mol(molecule)
# Process color_by_element argument
if color_by_element is None:
color_by_element = highlight_atoms is None and highlight_bonds is None
if color_by_element:
set_atom_palette = lambda draw_options: draw_options.useDefaultAtomPalette()
else:
set_atom_palette = lambda draw_options: draw_options.useBWAtomPalette()
# Process explicit_hydrogens argument
# If we need to remove atoms, create a map from the original indices to the
# new ones.
if explicit_hydrogens is None:
idx_map = {i: i for i in range(rdmol.GetNumAtoms())}
elif explicit_hydrogens:
idx_map = {i: i for i in range(rdmol.GetNumAtoms())}
rdmol = Chem.AddHs(rdmol, explicitOnly=True)
else:
idx_map = {
old: new
for new, old in enumerate(
a.GetIdx()
for a in rdmol.GetAtoms()
if a.GetAtomicNum() != 1 and a.GetMass() != 1
)
}
rdmol = Chem.RemoveHs(rdmol, updateExplicitCount=True)
# Process highlight_atoms argument for highlightAtoms and highlightAtomColors
# highlightAtoms takes a list of atom indices
# highlightAtomColors takes a mapping from atom indices to colors
if highlight_atoms is None:
highlight_atoms = []
highlight_atom_colors = None
elif isinstance(highlight_atoms, dict):
highlight_atom_colors = {
idx_map[i]: tuple(c) for i, c in highlight_atoms.items() if i in idx_map
}
highlight_atoms = list(highlight_atoms.keys())
else:
highlight_atoms = [idx_map[i] for i in highlight_atoms if i in idx_map]
highlight_atom_colors = None
# Process highlight_bonds argument for highlightBonds and highlightBondColors
# highlightBonds takes a list of bond indices
# highlightBondColors takes a mapping from bond indices to colors
if highlight_bonds is None:
highlight_bonds = []
highlight_bond_colors = None
elif isinstance(highlight_bonds, dict):
highlight_bond_colors = {
rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b]).GetIdx(): tuple(v)
for (i_a, i_b), v in highlight_bonds.items()
if i_a in idx_map and i_b in idx_map
}
highlight_bonds = list(highlight_bond_colors.keys())
else:
highlight_bonds = [
rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b]).GetIdx()
for i_a, i_b in highlight_bonds
if i_a in idx_map and i_b in idx_map
]
highlight_bond_colors = None
# Process bond_notes argument and place notes in the molecule
if bond_notes is not None:
for (i_a, i_b), note in bond_notes.items():
if i_a not in idx_map or i_b not in idx_map:
continue
rdbond = rdmol.GetBondBetweenAtoms(idx_map[i_a], idx_map[i_b])
rdbond.SetProp("bondNote", note)
# Process atom_notes argument and place notes in the molecule
if atom_notes is not None:
for i, note in atom_notes.items():
if i not in idx_map:
continue
rdatom = rdmol.GetAtomWithIdx(idx_map[i])
rdatom.SetProp("atomNote", note)
# Fix kekulization so it is the same for all drawn molecules
Chem.rdmolops.Kekulize(rdmol, clearAromaticFlags=True)
# Compute 2D coordinates
Compute2DCoords(rdmol)
# Construct the drawing object and get a handle to its options
drawer = Draw.MolDraw2DSVG(image_width, image_height)
draw_options = drawer.drawOptions()
# Specify the scale to fit all atoms
# This is important for emphasize_atoms
coords_2d = next(rdmol.GetConformers()).GetPositions()[..., (0, 1)]
drawer.SetScale(
image_width,
image_height,
Point2D(*(coords_2d.min(axis=0) - 1.0)),
Point2D(*(coords_2d.max(axis=0) + 1.0)),
)
# Set the colors used for each element according to the emphasize_atoms and
# color_by_element arguments
if emphasize_atoms:
draw_options.setAtomPalette(
{i: (0.8, 0.8, 0.8) for i in range(rdmol.GetNumAtoms())}
)
else:
set_atom_palette(draw_options)
# Draw the molecule
# Note that if emphasize_atoms is used, this will be the un-emphasized parts
# of the molecule
drawer.DrawMolecule(
rdmol,
highlightAtoms=highlight_atoms,
highlightAtomColors=highlight_atom_colors,
highlightBonds=highlight_bonds,
highlightBondColors=highlight_bond_colors,
)
# Draw an overlapping molecule for the emphasized atoms
if emphasize_atoms:
# Set the atom palette according to the color_by_element argument
set_atom_palette(draw_options)
# Create a copy of the molecule that removes atoms that aren't emphasized
emphasized = Chem.rdchem.RWMol(rdmol)
emphasized.BeginBatchEdit()
for i in set(idx_map) - set(emphasize_atoms):
emphasized.RemoveAtom(idx_map[i])
emphasized.CommitBatchEdit()
# Draw the molecule. The scale has been fixed and we're re-using the
# same coordinates, so this will overlap the background molecule
drawer.DrawMolecule(emphasized)
# Finalize the SVG
drawer.FinishDrawing()
# Return an SVG object that we can view in notebook
svg_contents = drawer.GetDrawingText()
return SVG(svg_contents)
class OpenFFMoleculeTrajectory(Structure, Trajectory):
"""OpenFF Molecule adaptor.
Example
-------
>>> import nglview as nv
>>> import mdtraj as md
>>> mol = Molecule.from_polymer_pdb(pdb_filename)
>>> t = OpenFFMoleculeTrajectory(mol)
>>> w = nv.NGLWidget(t)
>>> w
"""
def __init__(self, molecule: Molecule, ext: str = "MOL2"):
if not molecule.conformers:
raise ValueError(
"Cannot visualize a molecule without conformers with NGLView"
)
self.molecule = molecule
self.ext = ext.lower()
self.params = {}
self.id = str(uuid.uuid4())
def get_coordinates(self, index: int):
return self.molecule.conformers[index].m_as(unit.angstrom)
@property
def n_frames(self):
return len(self.molecule.conformers)
def get_structure_string(self):
with StringIO() as f:
self.molecule.to_file(f, file_format=self.ext)
sdf_str = f.getvalue()
return sdf_str
class OpenFFTopologyStructure(Structure):
"""OpenFF Molecule adaptor.
Example
-------
>>> import nglview as nv
>>> import mdtraj as md
>>> mol = Molecule.from_polymer_pdb(pdb_filename)
>>> t = OpenFFMoleculeTrajectory(mol)
>>> w = nv.NGLWidget(t)
>>> w
"""
def __init__(
self,
topology: Topology,
ext: str,
):
self.topology = topology
self.ext = ext.lower()
self.params = {}
self.id = str(uuid.uuid4())
def get_structure_string(self):
with StringIO() as f:
self.topology.to_file(f, file_format=self.ext)
sdf_str = f.getvalue()
return sdf_str
def visualize(obj: Union[Molecule, Topology], ext=None, representations=None):
"""Visualize a topology or molecule with nglview"""
if isinstance(obj, Molecule):
if representations is None:
representations = MOLECULE_DEFAULT_REPS
if ext is None:
ext = "MOL2"
return nglview.NGLWidget(
OpenFFMoleculeTrajectory(obj, ext=ext),
representations=representations,
)
elif isinstance(obj, Topology):
if ext is None:
ext = "PDB"
return nglview.NGLWidget(
OpenFFTopologyStructure(obj, ext=ext),
representations=representations,
)
else:
if ext is not None:
raise ValueError(
"ext parameter only supported for topologies and molecules"
)
return nglview.NGLWidget(
structure=obj,
representations=representations,
)
def solvate(
topology: Topology,
positive_ion: Literal["Cs+", "K+", "Li+", "Na+", "Rb+"] = "Na+",
negative_ion: Literal["Cl-", "Br-", "F-", "I-"] = "Cl-",
ionic_strength: Quantity = 0.0 * unit.molar,
):
"""
Solvate a topology with box vectors in water.
Parameters
==========
topology
The topology to solvate. A copy of the topology is returned; it is not
mutated. The topology must have box vectors.
positive_ion
The type of positive ion to add.
negative_ion
The type of negative ion to add.
ionic_strength : OpenFF ``Quantity`` with dimensions of concentration
The total concentration of ions (both positive and negative) to add.
This does not include ions that are added to neutralize the system.
Raises
======
ValueError
If the given topology has no box vectors
"""
if topology.box_vectors is None:
raise ValueError("Topology has no box vectors")
with StringIO() as f:
topology.to_file(f)
f.seek(0)
fixer = PDBFixer(pdbfile=f)
fixer.addSolvent(
boxVectors=topology.box_vectors.to_openmm(),
positiveIon=positive_ion,
negativeIon=negative_ion,
ionicStrength=ionic_strength.to_openmm(),
)
solvated_topology = Topology.from_openmm(
fixer.topology,
unique_molecules={
*topology.molecules,
Molecule.from_smiles("O"),
Molecule.from_smiles(f"[{positive_ion}]"),
Molecule.from_smiles(f"[{negative_ion}]"),
},
)
solvated_topology.set_positions(from_openmm(fixer.positions))
return solvated_topology
def max_dist_between_points(points: Quantity[ArrayLike]) -> Quantity[float]:
"""
Compute the greatest distance between two points in the array.
"""
from scipy.spatial import ConvexHull
from scipy.spatial.distance import pdist
# Support Pint/OpenFF units
try:
units = points.units
points: NDArray = np.asarray(points.magnitude)
except AttributeError:
units = 1.0
points = np.asarray(points)
if points.shape[1] != 3 or points.ndim != 2:
raise ValueError("Points should be an n*3 array")
if points.shape[0] >= 4:
# Maximum distance is guaranteed to be on the convex hull, which can be
# computed in O(n log n)
# See also https://stackoverflow.com/a/60955825
hull = ConvexHull(points)
hullpoints = points[hull.vertices, :]
else:
hullpoints = points
# Now compute all the distances and get the greatest distance in O(h^2)
max_dist = pdist(hullpoints, metric="euclidean").max()
return max_dist * units
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