Homology Modelling

Course title: Bioinformatics colloquium
Submitted by: Attique-ur-Rehman

(Spring20-BSI-014)
Submitted to: Dr.Qaiser Fatmi
Assignment 2
Dated: May 5, 2020
DEPARTMENT OF BIOINFORMATICS
COMSATS UNIVERSITY ISLAMABAD
1
HOMOLOGY MODELLING USING SWISS MODEL AS A WORKBENCH

Homology modelling
Homology modeling is the construction of an atomic model of a
target protein based solely on the target's amino acid sequence and the experimentally
determined structures of homologous proteins, referred to as templates.
Steps in homology model building process
Swiss model
SWISS-MODEL is a structural bioinformatics web-server dedicated
to homology modeling of 3D protein structures. Homology modeling is currently the
most accurate method to generate reliable three-dimensional protein structure models
and is routinely used in many practical applications.
2
HOMOLOGY MODELLING OF SUPEROXIDE DISMUTASE [CU-ZN]

I will show you how to build a homology model for the Superoxide Dismutase [Cu-Zn]
protein from Drosophila melanogaster (SOD, UniprotKB AC: P61851). This protein
destroys radicals which are normally produced within the cells and which are toxic to
biological systems.
STEP 1
First access the SWISS-MODEL website and click "Start modelling" to start a new
modelling project.
3
STEP 2
Click on “Start Modelling” and provide your target protein. You can either paste the
protein sequence or provide the UniprotKB AC (P96134) of your target sequence in the
input form. A project title is automatically suggested if a UniProtKB AC is used.
STEP 3
Click on “Search For Templates” button to search for available template
structures. Once the search is started, you can wait and verify the status of the job or
you can bookmark the page using the provided link and visualize the results later. When
the template search is finished, the output page includes a table showing the list of
available templates ranked according to the expected quality of the resulting models.
4
The table below contains multiple templates which cover the complete sequence and
share a considerable sequence identity with our target sequence.
5
STEP 4
Let's rank them according to their coverage to the target sequence, and let's
select the top-ranking templates.
Step 5
I selected template number 2 (319y. 1 .A) which shows a sequence identity of
67.97% with our target sequence.
6
STEP 6
The final step is to build homology model using the selected template by
clicking on “Build Model” button.
7
8
MODEL RESULTS
For each model generated based on the selected templates, the following information is
provided:
 A file containing the model coordinates along with relevant information on the
modelling process
 The oligomeric state of the model
 The modelled ligands
 QMEAN model quality estimation results
 The target–template sequence alignment
 The template name (SMTL ID)
 The sequence identity to the target
 The target sequence coverage
Models can be displayed interactively using the 3D viewer. By default, models are
colored by model quality estimates assigned by QMEAN to highlight regions of the
model which are well- or poorly modelled.
9
HOMOLOGY MODEL OF SUPEROXIDE DISMUTASE

10
PDB FORMAT
TITLE SWISS-MODEL SERVER (https://swissmodel.expasy.org)
TITLE 2 SODC_DROME P61851 Superoxide dismutase [Cu-Zn]
EXPDTA THEORETICAL MODEL (SWISS-MODEL SERVER)
AUTHOR SWISS-MODEL SERVER (SEE REFERENCE IN JRNL Records)
REVDAT 1 06-MAY-20 1MOD 1 02:38
JRNL AUTH
A.WATERHOUSE,M.BERTONI,S.BIENERT,G.STUDER,G.TAURIELLO,
JRNL AUTH 2 R.GUMIENNY,F.T.HEER,T.A.P.DE
BEER,C.REMPFER,L.BORDOLI,
JRNL AUTH 3 R.LEPORE,T.SCHWEDE
JRNL TITL SWISS-MODEL: HOMOLOGY MODELLING OF PROTEIN
STRUCTURES AND
JRNL TITL 2 COMPLEXES
JRNL REF NUCLEIC.ACIDS.RES.. V. 46 W296
2018
JRNL PMID 29788355
JRNL DOI 10.1093/nar/gky427
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH S.BIENERT,A.WATERHOUSE,T.A.P.DE
BEER,G.TAURIELLO,G.STUDER,
REMARK 1 AUTH 2 L.BORDOLI,T.SCHWEDE
REMARK 1 TITL THE SWISS-MODEL REPOSITORY - NEW FEATURES AND
FUNCTIONALITY
REMARK 1 REF NUCLEIC.ACIDS.RES.. V. 22
2017
REMARK 1 REFN ISSN 0305-1048
REMARK 1 PMID 27899672
REMARK 1 DOI 10.1093/nar/gkw1132
REMARK 1
REMARK 1 AUTH N.GUEX,M.C.PEITSCH,T.SCHWEDE
REMARK 1 TITL AUTOMATED COMPARATIVE PROTEIN STRUCTURE
MODELING WITH
REMARK 1 TITL 2 SWISS-MODEL AND SWISS-PDBVIEWER: A HISTORICAL
PERSPECTIVE
REMARK 1 REF ELECTROPHORESIS V. 30
2009
REMARK 1 DOI 10.1002/elps.200900140
REMARK 1
REMARK 1 AUTH P.BENKERT,M.BIASINI,T.SCHWEDE
11
REMARK 1 TITL TOWARD THE ESTIMATION OF THE ABSOLUTE QUALITY

OF INDIVIDUAL
REMARK 1 TITL 2 PROTEIN STRUCTURE MODELS
REMARK 1 REF BIOINFORMATICS V. 27
2011
REMARK 1 DOI 10.1093/bioinformatics/btq662
REMARK 1
REMARK 1 AUTH
M.BERTONI,F.KIEFER,M.BIASINI,L.BORDOLI,T.SCHWEDE
REMARK 1 TITL MODELING PROTEIN QUATERNARY STRUCTURE OF
HOMO- AND
REMARK 1 TITL 2 HETERO-OLIGOMERS BEYOND BINARY INTERACTIONS
BY HOMOLOGY
REMARK 1 REF SCI.REP. V. 7
2017
REMARK 1 REFN ISSN
REMARK 1 DOI 10.1038/s41598-017-09654-8
REMARK 1
REMARK 1 DISCLAIMER
REMARK 1 The SWISS-MODEL SERVER produces theoretical models
for proteins.
REMARK 1 The results of any theoretical modelling procedure is
REMARK 1 NON-EXPERIMENTAL and MUST be considered with care.
These models may
REMARK 1 contain significant errors. This is especially true
for automated
REMARK 1 modeling since there is no human intervention during
model
REMARK 1 building. Please read the header section and the
logfile carefully
REMARK 1 to know what templates and alignments were used
during the model
REMARK 1 building process. All information by the SWISS-MODEL
SERVER is
REMARK 1 provided "AS-IS", without any warranty, expressed or
implied.
REMARK 2
REMARK 2 COPYRIGHT NOTICE
REMARK 2 This SWISS-MODEL protein model is copyright. It is
produced by the
REMARK 2 SWISS-MODEL server, developed by the Computational
Structural
12
REMARK 2 Biology Group at the SIB Swiss Institute of

Bioinformatics at the
REMARK 2 Biozentrum, University of Basel
(https://swissmodel.expasy.org). This
REMARK 2 model is licensed under the CC BY-SA 4.0 Creative
Commons
REMARK 2 Attribution-ShareAlike 4.0 International License
REMARK 2 (https://creativecommons.org/licenses/by-
sa/4.0/legalcode), i.e. you
REMARK 2 can copy and redistribute the model in any medium or
format,
REMARK 2 transform and build upon the model for any purpose,
even
REMARK 2 commercially, under the following terms:
REMARK 2 Attribution - You must give appropriate credit,
provide a link to
REMARK 2 the license, and indicate if changes were made. You
may do so in any
REMARK 2 reasonable manner, but not in any way that suggests
the licensor
REMARK 2 endorses you or your use. When you publish, patent or
distribute
REMARK 2 results that were fully or partially based on the
model, please cite
REMARK 2 the corresponding papers mentioned under JRNL.
REMARK 2 ShareAlike - If you remix, transform, or build upon
the material,
REMARK 2 you must distribute your contributions under the same
license as the
REMARK 2 original.
REMARK 2 No additional restrictions - you may not apply legal
terms or
REMARK 2 technological measures that legally restrict others
from doing
REMARK 2 anything the license permits.
REMARK 2 Find a human-readable summary of (and not a
substitute for) the
REMARK 2 CC BY-SA 4.0 license at this link:
REMARK 2 https://creativecommons.org/licenses/by-sa/4.0/
REMARK 3
REMARK 3 MODEL INFORMATION
REMARK 3 ENGIN PROMOD3
REMARK 3 VERSN 3.0.0
REMARK 3 OSTAT homo-dimer
REMARK 3 OSRSN PREDICTION
REMARK 3 QSPRD 0.867
REMARK 3 QMN4 0.96
13
REMARK 3 MODT FALSE

REMARK 3
REMARK 3 MODEL LIGAND 1
REMARK 3 NAME ZN
REMARK 3 BIND A.62
REMARK 3 BIND 2 A.70
REMARK 3 BIND 5 _.1
REMARK 3
REMARK 3 NAME ZN
REMARK 3 BIND B.62
REMARK 3 BIND 2 B.70
REMARK 3 BIND 5 _.3
REMARK 3
REMARK 3 NAME CU
REMARK 3 BIND A.45
REMARK 3 BIND 6 _.2
REMARK 3
REMARK 3 NAME CU
REMARK 3 BIND B.45
REMARK 3 BIND 6 _.4
REMARK 3
REMARK 3 TEMPLATE 1
REMARK 3 PDBID 3l9y
REMARK 3 CHAIN A
REMARK 3 MMCIF A
REMARK 3 PDBV 2020-04-24
REMARK 3 SMTLE 3l9y.1.A
REMARK 3 SMTLV 2020-04-29
REMARK 3 MTHD X-RAY DIFFRACTION 1.80 A
REMARK 3 FOUND BLAST
REMARK 3 SIM 0.51
REMARK 3 SID 67.97
14
REMARK 3 OSTAT homo-dimer

REMARK 3 LIGND ZN
REMARK 3 LIGND 2 ZN
REMARK 3 LIGND 3 CU
REMARK 3 LIGND 4 CU
REMARK 3 ALN A TRG
MVVKAVCVINGDAKGTVFFEQESSGTPVKVSGEVCGLAKGLHGFHVHEFGDNTNGCMS
REMARK 3 ALN A TRG SGPHFNPYGKEHGAPVDENRHLGDLGNIEATGDC-
PTKVNITDSKITLFGADSIIGRT
REMARK 3 ALN A TRG VVVHADADDLGQGGHELSKSTGNAGARIGCGVIGIAKV
REMARK 3 ALN A TPL
MPAKAVCVLRGDVSGTVFFDQQDEKSPVVVSGEVQGLTKGKHGFHVHEFGDNTNGCTS
REMARK 3 ALN A TPL
AGAHFNPEKQDHGGPSSAVRHVGDLGNIEAIEDAGVTKVSIQDSQISLHGPNSIIGRT
REMARK 3 ALN A TPL LVVHADPDDLGLGGNELSKTTGNAGGRIACGVIGLAKI
REMARK 3 ALN A OFF 0
ATOM 1 N VAL A 2 -8.736 -24.800 -12.905 1.00
0.74 N
ATOM 2 CA VAL A 2 -10.089 -25.426 -13.098 1.00
0.74 C
ATOM 3 C VAL A 2 -10.281 -26.425 -11.971 1.00
0.74 C
ATOM 4 O VAL A 2 -9.290 -26.730 -11.295 1.00
0.74 O
ATOM 5 CB VAL A 2 -10.182 -26.045 -14.506 1.00
0.74 C
ATOM 6 CG1 VAL A 2 -9.968 -24.970 -15.598 1.00
0.74 C
ATOM 7 CG2 VAL A 2 -9.188 -27.208 -14.714 1.00
0.74 C
ATOM 8 N VAL A 3 -11.499 -26.899 -11.679 1.00
0.81 N
ATOM 9 CA VAL A 3 -11.745 -27.839 -10.597 1.00
0.81 C
ATOM 10 C VAL A 3 -12.801 -28.826 -11.048 1.00
0.81 C
ATOM 11 O VAL A 3 -13.734 -28.476 -11.790 1.00
0.81 O
ATOM 12 CB VAL A 3 -12.248 -27.157 -9.313 1.00
0.81 C
ATOM 13 CG1 VAL A 3 -11.103 -26.503 -8.519 1.00
0.81 C
ATOM 14 CG2 VAL A 3 -13.270 -26.078 -9.693 1.00
0.81 C
ATOM 15 N LYS A 4 -12.681 -30.088 -10.602 1.00
0.79 N
15
ATOM 16 CA LYS A 4 -13.644 -31.128 -10.851 1.00

0.79 C
ATOM 17 C LYS A 4 -13.986 -31.873 -9.577 1.00
0.79 C
ATOM 18 O LYS A 4 -13.162 -32.096 -8.687 1.00
0.79 O
ATOM 19 CB LYS A 4 -13.119 -32.116 -11.912 1.00
0.79 C
ATOM 20 CG LYS A 4 -14.187 -33.058 -12.472 1.00
0.79 C
ATOM 21 CD LYS A 4 -13.700 -33.806 -13.712 1.00
0.79 C
ATOM 22 CE LYS A 4 -14.792 -34.743 -14.203 1.00
0.79 C
ATOM 23 NZ LYS A 4 -14.322 -35.530 -15.351 1.00
0.79 N
ATOM 24 N ALA A 5 -15.255 -32.288 -9.459 1.00
0.88 N
ATOM 25 CA ALA A 5 -15.732 -33.114 -8.387 1.00
0.88 C
ATOM 26 C ALA A 5 -16.609 -34.201 -8.972 1.00
0.88 C
ATOM 27 O ALA A 5 -16.990 -34.158 -10.147 1.00
0.88 O
ATOM 28 CB ALA A 5 -16.462 -32.274 -7.312 1.00
0.88 C
ATOM 29 N VAL A 6 -16.913 -35.230 -8.171 1.00
0.87 N
ATOM 30 CA VAL A 6 -17.741 -36.351 -8.550 1.00
0.87 C
ATOM 31 C VAL A 6 -18.546 -36.815 -7.356 1.00
0.87 C
ATOM 32 O VAL A 6 -18.133 -36.693 -6.200 1.00
0.87 O
ATOM 33 CB VAL A 6 -16.915 -37.495 -9.145 1.00
0.87 C
ATOM 34 CG1 VAL A 6 -15.935 -38.097 -8.118 1.00
0.87 C
ATOM 35 CG2 VAL A 6 -17.774 -38.593 -9.810 1.00
0.87 C
ATOM 36 N CYS A 7 -19.754 -37.331 -7.611 1.00
0.87 N
ATOM 37 CA CYS A 7 -20.555 -38.091 -6.687 1.00
0.87 C
ATOM 38 C CYS A 7 -20.911 -39.404 -7.359 1.00
0.87 C
16
ATOM 39 O CYS A 7 -21.338 -39.436 -8.523 1.00

0.87 O
ATOM 40 CB CYS A 7 -21.840 -37.317 -6.291 1.00
0.87 C
ATOM 41 SG CYS A 7 -23.019 -38.263 -5.284 1.00
0.87 S
ATOM 42 N VAL A 8 -20.756 -40.518 -6.632 1.00
0.85 N
ATOM 43 CA VAL A 8 -21.282 -41.824 -6.981 1.00
0.85 C
ATOM 44 C VAL A 8 -22.457 -42.066 -6.057 1.00
0.85 C
ATOM 45 O VAL A 8 -22.315 -42.086 -4.831 1.00
0.85 O
ATOM 46 CB VAL A 8 -20.247 -42.935 -6.856 1.00
0.85 C
ATOM 47 CG1 VAL A 8 -20.856 -44.313 -7.201 1.00
0.85 C
ATOM 48 CG2 VAL A 8 -19.111 -42.606 -7.841 1.00
0.85 C
ATOM 49 N ILE A 9 -23.663 -42.187 -6.643 1.00
0.84 N
ATOM 50 CA ILE A 9 -24.913 -42.463 -5.954 1.00
0.84 C
ATOM 51 C ILE A 9 -24.951 -43.873 -5.372 1.00
0.84 C
ATOM 52 O ILE A 9 -24.630 -44.853 -6.049 1.00
0.84 O
ATOM 53 CB ILE A 9 -26.119 -42.201 -6.855 1.00
0.84 C
ATOM 54 CG1 ILE A 9 -26.177 -40.699 -7.217 1.00
0.84 C
ATOM 55 CG2 ILE A 9 -27.437 -42.650 -6.176 1.00
0.84 C
ATOM 56 CD1 ILE A 9 -27.222 -40.423 -8.298 1.00
0.84 C
ATOM 57 N ASN A 10 -25.375 -43.997 -4.097 1.00
0.79 N
ATOM 58 CA ASN A 10 -25.635 -45.243 -3.408 1.00
0.79 C
ATOM 59 C ASN A 10 -27.083 -45.228 -2.943 1.00
0.79 C
ATOM 60 O ASN A 10 -27.515 -44.256 -2.314 1.00
0.79 O
ATOM 61 CB ASN A 10 -24.732 -45.368 -2.157 1.00
0.79 C
17
ATOM 62 CG ASN A 10 -23.286 -45.387 -2.612 1.00

0.79 C
ATOM 63 OD1 ASN A 10 -22.781 -46.420 -3.086 1.00
0.79 O
ATOM 64 ND2 ASN A 10 -22.574 -44.247 -2.509 1.00
0.79 N
ATOM 65 N GLY A 11 -27.870 -46.285 -3.231 1.00
0.85 N
ATOM 66 CA GLY A 11 -29.263 -46.416 -2.817 1.00
0.85 C
ATOM 67 C GLY A 11 -30.012 -47.225 -3.837 1.00
0.85 C
ATOM 68 O GLY A 11 -29.440 -48.145 -4.430 1.00
0.85 O
ATOM 69 N ASP A 12 -31.296 -46.894 -4.070 1.00
0.75 N
ATOM 70 CA ASP A 12 -32.228 -47.604 -4.935 1.00
0.75 C
ATOM 71 C ASP A 12 -31.920 -47.388 -6.416 1.00
0.75 C
ATOM 72 O ASP A 12 -32.267 -48.186 -7.289 1.00
0.75 O
ATOM 73 CB ASP A 12 -33.682 -47.116 -4.664 1.00
0.75 C
ATOM 74 CG ASP A 12 -34.118 -47.261 -3.210 1.00
0.75 C
ATOM 75 OD1 ASP A 12 -33.473 -48.020 -2.446 1.00
0.75 O
ATOM 76 OD2 ASP A 12 -35.126 -46.593 -2.861 1.00
0.75 O
ATOM 77 N ALA A 13 -31.202 -46.296 -6.719 1.00
0.84 N
ATOM 78 CA ALA A 13 -30.715 -45.964 -8.028 1.00
0.84 C
ATOM 79 C ALA A 13 -29.217 -45.795 -7.891 1.00
0.84 C
ATOM 80 O ALA A 13 -28.680 -45.644 -6.787 1.00
0.84 O
ATOM 81 CB ALA A 13 -31.390 -44.688 -8.599 1.00
0.84 C
ATOM 82 N LYS A 14 -28.498 -45.851 -9.016 1.00
0.78 N
ATOM 83 CA LYS A 14 -27.058 -45.737 -9.078 1.00
0.78 C
ATOM 84 C LYS A 14 -26.739 -44.696 -10.112 1.00
0.78 C
18
ATOM 85 O LYS A 14 -27.615 -44.243 -10.851 1.00

0.78 O
ATOM 86 CB LYS A 14 -26.364 -47.052 -9.509 1.00
0.78 C
ATOM 87 CG LYS A 14 -26.593 -48.189 -8.512 1.00
0.78 C
ATOM 88 CD LYS A 14 -25.857 -49.463 -8.946 1.00
0.78 C
ATOM 89 CE LYS A 14 -26.068 -50.623 -7.974 1.00
0.78 C
ATOM 90 NZ LYS A 14 -25.334 -51.821 -8.438 1.00
0.78 N
ATOM 91 N GLY A 15 -25.468 -44.289 -10.201 1.00
0.86 N
ATOM 92 CA GLY A 15 -25.063 -43.332 -11.203 1.00
0.86 C
ATOM 93 C GLY A 15 -23.882 -42.561 -10.737 1.00
0.86 C
ATOM 94 O GLY A 15 -23.570 -42.507 -9.545 1.00
0.86 O
ATOM 95 N THR A 16 -23.207 -41.935 -11.701 1.00
0.86 N
ATOM 96 CA THR A 16 -22.005 -41.157 -11.477 1.00
0.86 C
ATOM 97 C THR A 16 -22.293 -39.777 -11.996 1.00
0.86 C
ATOM 98 O THR A 16 -22.622 -39.598 -13.170 1.00
0.86 O
ATOM 99 CB THR A 16 -20.771 -41.675 -12.201 1.00
0.86 C
ATOM 100 OG1 THR A 16 -20.440 -42.990 -11.776 1.00
0.86 O
ATOM 101 CG2 THR A 16 -19.552 -40.816 -11.852 1.00
0.86 C
ATOM 102 N VAL A 17 -22.179 -38.764 -11.122 1.00
0.89 N
ATOM 103 CA VAL A 17 -22.429 -37.374 -11.443 1.00
0.89 C
ATOM 104 C VAL A 17 -21.135 -36.612 -11.250 1.00
0.89 C
ATOM 105 O VAL A 17 -20.543 -36.629 -10.167 1.00
0.89 O
ATOM 106 CB VAL A 17 -23.518 -36.760 -10.567 1.00
0.89 C
ATOM 107 CG1 VAL A 17 -23.755 -35.288 -10.961 1.00
0.89 C
19
ATOM 108 CG2 VAL A 17 -24.822 -37.566 -10.737 1.00

0.89 C
ATOM 109 N PHE A 18 -20.655 -35.929 -12.296 1.00
0.88 N
ATOM 110 CA PHE A 18 -19.463 -35.111 -12.308 1.00
0.88 C
ATOM 111 C PHE A 18 -19.872 -33.662 -12.196 1.00
0.88 C
ATOM 112 O PHE A 18 -20.938 -33.266 -12.665 1.00
0.88 O
ATOM 113 CB PHE A 18 -18.660 -35.245 -13.624 1.00
0.88 C
ATOM 114 CG PHE A 18 -18.201 -36.658 -13.806 1.00
0.88 C
ATOM 115 CD1 PHE A 18 -18.872 -37.521 -14.685 1.00
0.88 C
ATOM 116 CD2 PHE A 18 -17.110 -37.150 -13.077 1.00
0.88 C
ATOM 117 CE1 PHE A 18 -18.432 -38.837 -14.867 1.00
0.88 C
ATOM 118 CE2 PHE A 18 -16.635 -38.449 -13.292 1.00
0.88 C
ATOM 119 CZ PHE A 18 -17.293 -39.291 -14.194 1.00
0.88 C
ATOM 120 N PHE A 19 -19.014 -32.839 -11.576 1.00
0.87 N
ATOM 121 CA PHE A 19 -19.192 -31.414 -11.424 1.00
0.87 C
ATOM 122 C PHE A 19 -17.938 -30.775 -11.972 1.00
0.87 C
ATOM 123 O PHE A 19 -16.848 -31.080 -11.487 1.00
0.87 O
ATOM 124 CB PHE A 19 -19.267 -30.980 -9.934 1.00
0.87 C
ATOM 125 CG PHE A 19 -20.411 -31.625 -9.218 1.00
0.87 C
ATOM 126 CD1 PHE A 19 -20.340 -32.949 -8.756 1.00
0.87 C
ATOM 127 CD2 PHE A 19 -21.595 -30.908 -9.025 1.00
0.87 C
ATOM 128 CE1 PHE A 19 -21.464 -33.575 -8.209 1.00
0.87 C
ATOM 129 CE2 PHE A 19 -22.720 -31.519 -8.466 1.00
0.87 C
ATOM 130 CZ PHE A 19 -22.662 -32.864 -8.090 1.00
0.87 C
20
ATOM 131 N GLU A 20 -18.040 -29.886 -12.968 1.00

0.82 N
ATOM 132 CA GLU A 20 -16.915 -29.209 -13.582 1.00
0.82 C
ATOM 133 C GLU A 20 -17.089 -27.715 -13.416 1.00
0.82 C
ATOM 134 O GLU A 20 -18.159 -27.166 -13.683 1.00
0.82 O
ATOM 135 CB GLU A 20 -16.808 -29.558 -15.089 1.00
0.82 C
ATOM 136 CG GLU A 20 -16.485 -31.062 -15.296 1.00
0.82 C
ATOM 137 CD GLU A 20 -16.363 -31.540 -16.744 1.00
0.82 C
ATOM 138 OE1 GLU A 20 -16.709 -30.779 -17.679 1.00
0.82 O
ATOM 139 OE2 GLU A 20 -15.943 -32.726 -16.893 1.00
0.82 O
ATOM 140 N GLN A 21 -16.043 -27.006 -12.948 1.00
0.81 N
ATOM 141 CA GLN A 21 -16.073 -25.561 -12.863 1.00
0.81 C
ATOM 142 C GLN A 21 -14.755 -25.008 -13.384 1.00
0.81 C
ATOM 143 O GLN A 21 -13.668 -25.336 -12.899 1.00
0.81 O
ATOM 144 CB GLN A 21 -16.355 -25.098 -11.416 1.00
0.81 C
ATOM 145 CG GLN A 21 -16.689 -23.604 -11.256 1.00
0.81 C
ATOM 146 CD GLN A 21 -16.791 -23.251 -9.772 1.00
0.81 C
ATOM 147 OE1 GLN A 21 -16.378 -24.008 -8.887 1.00
0.81 O
ATOM 148 NE2 GLN A 21 -17.370 -22.072 -9.471 1.00
0.81 N
ATOM 149 N GLU A 22 -14.809 -24.168 -14.435 1.00
0.74 N
ATOM 150 CA GLU A 22 -13.628 -23.601 -15.063 1.00
0.74 C
ATOM 151 C GLU A 22 -12.864 -22.586 -14.214 1.00
0.74 C
ATOM 152 O GLU A 22 -11.638 -22.645 -14.081 1.00
0.74 O
ATOM 153 CB GLU A 22 -14.008 -23.013 -16.433 1.00
0.74 C
21
ATOM 154 CG GLU A 22 -14.499 -24.091 -17.434 1.00

0.74 C
ATOM 155 CD GLU A 22 -14.940 -23.449 -18.748 1.00
0.74 C
ATOM 156 OE1 GLU A 22 -14.953 -22.192 -18.804 1.00
0.74 O
ATOM 157 OE2 GLU A 22 -15.286 -24.210 -19.685 1.00
0.74 O
ATOM 158 N SER A 23 -13.554 -21.645 -13.565 1.00
0.76 N
ATOM 159 CA SER A 23 -12.940 -20.601 -12.782 1.00
0.76 C
ATOM 160 C SER A 23 -13.832 -20.423 -11.583 1.00
0.76 C
ATOM 161 O SER A 23 -14.989 -20.848 -11.587 1.00
0.76 O
ATOM 162 CB SER A 23 -12.791 -19.274 -13.590 1.00
0.76 C
ATOM 163 OG SER A 23 -12.361 -18.168 -12.791 1.00
0.76 O
ATOM 164 N SER A 24 -13.345 -19.791 -10.514 1.00
0.74 N
ATOM 165 CA SER A 24 -14.066 -19.536 -9.272 1.00
0.74 C
ATOM 166 C SER A 24 -15.300 -18.658 -9.450 1.00
0.74 C
ATOM 167 O SER A 24 -16.249 -18.743 -8.677 1.00
0.74 O
ATOM 168 CB SER A 24 -13.128 -18.860 -8.240 1.00
0.74 C
ATOM 169 OG SER A 24 -12.564 -17.656 -8.772 1.00
0.74 O
ATOM 170 N GLY A 25 -15.288 -17.781 -10.480 1.00
0.78 N
ATOM 171 CA GLY A 25 -16.432 -16.962 -10.869 1.00
0.78 C
ATOM 172 C GLY A 25 -17.420 -17.605 -11.827 1.00
0.78 C
ATOM 173 O GLY A 25 -18.502 -17.060 -12.043 1.00
0.78 O
ATOM 174 N THR A 26 -17.082 -18.749 -12.467 1.00
0.81 N
ATOM 175 CA THR A 26 -17.926 -19.384 -13.494 1.00
0.81 C
ATOM 176 C THR A 26 -18.949 -20.309 -12.858 1.00
0.81 C
22
ATOM 177 O THR A 26 -18.696 -20.789 -11.751 1.00

0.81 O
ATOM 178 CB THR A 26 -17.188 -20.103 -14.643 1.00
0.81 C
ATOM 179 OG1 THR A 26 -16.312 -21.165 -14.289 1.00
0.81 O
ATOM 180 CG2 THR A 26 -16.346 -19.063 -15.397 1.00
0.81 C
ATOM 181 N PRO A 27 -20.129 -20.587 -13.431 1.00
0.85 N
ATOM 182 CA PRO A 27 -21.037 -21.600 -12.901 1.00
0.85 C
ATOM 183 C PRO A 27 -20.458 -23.004 -12.917 1.00
0.85 C
ATOM 184 O PRO A 27 -19.471 -23.269 -13.608 1.00
0.85 O
ATOM 185 CB PRO A 27 -22.274 -21.504 -13.809 1.00
0.85 C
ATOM 186 CG PRO A 27 -21.729 -20.992 -15.139 1.00
0.85 C
ATOM 187 CD PRO A 27 -20.621 -20.034 -14.699 1.00
0.85 C
ATOM 188 N VAL A 28 -21.081 -23.926 -12.170 1.00
0.87 N
ATOM 189 CA VAL A 28 -20.717 -25.325 -12.151 1.00
0.87 C
ATOM 190 C VAL A 28 -21.579 -26.057 -13.156 1.00
0.87 C
ATOM 191 O VAL A 28 -22.809 -25.945 -13.146 1.00
0.87 O
ATOM 192 CB VAL A 28 -20.915 -25.957 -10.780 1.00
0.87 C
ATOM 193 CG1 VAL A 28 -20.428 -27.419 -10.768 1.00
0.87 C
ATOM 194 CG2 VAL A 28 -20.127 -25.145 -9.743 1.00
0.87 C
ATOM 195 N LYS A 29 -20.952 -26.835 -14.054 1.00
0.83 N
ATOM 196 CA LYS A 29 -21.631 -27.732 -14.956 1.00
0.83 C
ATOM 197 C LYS A 29 -21.686 -29.096 -14.295 1.00
0.83 C
ATOM 198 O LYS A 29 -20.672 -29.620 -13.836 1.00
0.83 O
ATOM 199 CB LYS A 29 -20.905 -27.809 -16.317 1.00
0.83 C
23
ATOM 200 CG LYS A 29 -21.655 -28.655 -17.355 1.00

0.83 C
ATOM 201 CD LYS A 29 -20.935 -28.653 -18.709 1.00
0.83 C
ATOM 202 CE LYS A 29 -21.656 -29.485 -19.769 1.00
0.83 C
ATOM 203 NZ LYS A 29 -20.884 -29.445 -21.030 1.00
0.83 N
ATOM 204 N VAL A 30 -22.884 -29.691 -14.205 1.00
0.89 N
ATOM 205 CA VAL A 30 -23.160 -30.930 -13.513 1.00
0.89 C
ATOM 206 C VAL A 30 -23.611 -31.919 -14.566 1.00
0.89 C
ATOM 207 O VAL A 30 -24.630 -31.708 -15.240 1.00
0.89 O
ATOM 208 CB VAL A 30 -24.263 -30.754 -12.474 1.00
0.89 C
ATOM 209 CG1 VAL A 30 -24.452 -32.059 -11.677 1.00
0.89 C
ATOM 210 CG2 VAL A 30 -23.915 -29.576 -11.540 1.00
0.89 C
ATOM 211 N SER A 31 -22.876 -33.017 -14.772 1.00
0.88 N
ATOM 212 CA SER A 31 -23.140 -33.948 -15.855 1.00
0.88 C
ATOM 213 C SER A 31 -23.022 -35.369 -15.383 1.00
0.88 C
ATOM 214 O SER A 31 -22.516 -35.649 -14.297 1.00
0.88 O
ATOM 215 CB SER A 31 -22.224 -33.739 -17.101 1.00
0.88 C
ATOM 216 OG SER A 31 -20.859 -34.101 -16.857 1.00
0.88 O
ATOM 217 N GLY A 32 -23.512 -36.329 -16.177 1.00
0.86 N
ATOM 218 CA GLY A 32 -23.378 -37.733 -15.855 1.00
0.86 C
ATOM 219 C GLY A 32 -24.672 -38.401 -16.133 1.00
0.86 C
ATOM 220 O GLY A 32 -25.431 -37.990 -17.019 1.00
0.86 O
ATOM 221 N GLU A 33 -24.959 -39.462 -15.383 1.00
0.82 N
ATOM 222 CA GLU A 33 -26.106 -40.285 -15.644 1.00
0.82 C
24
ATOM 223 C GLU A 33 -26.544 -40.957 -14.368 1.00

0.82 C
ATOM 224 O GLU A 33 -25.736 -41.192 -13.457 1.00
0.82 O
ATOM 225 CB GLU A 33 -25.734 -41.285 -16.775 1.00
0.82 C
ATOM 226 CG GLU A 33 -26.310 -42.722 -16.776 1.00
0.82 C
ATOM 227 CD GLU A 33 -25.572 -43.564 -17.834 1.00
0.82 C
ATOM 228 OE1 GLU A 33 -25.555 -43.107 -19.000 1.00
0.82 O
ATOM 229 OE2 GLU A 33 -25.074 -44.650 -17.462 1.00
0.82 O
ATOM 230 N VAL A 34 -27.854 -41.232 -14.267 1.00
0.84 N
ATOM 231 CA VAL A 34 -28.508 -41.951 -13.192 1.00
0.84 C
ATOM 232 C VAL A 34 -29.286 -43.104 -13.805 1.00
0.84 C
ATOM 233 O VAL A 34 -29.975 -42.950 -14.818 1.00
0.84 O
ATOM 234 CB VAL A 34 -29.439 -41.062 -12.364 1.00
0.84 C
ATOM 235 CG1 VAL A 34 -30.233 -41.870 -11.313 1.00
0.84 C
ATOM 236 CG2 VAL A 34 -28.594 -39.985 -11.661 1.00
0.84 C
ATOM 237 N CYS A 35 -29.192 -44.305 -13.203 1.00
0.81 N
ATOM 238 CA CYS A 35 -29.816 -45.517 -13.697 1.00
0.81 C
ATOM 239 C CYS A 35 -30.747 -46.119 -12.674 1.00
0.81 C
ATOM 240 O CYS A 35 -30.451 -46.161 -11.478 1.00
0.81 O
ATOM 241 CB CYS A 35 -28.784 -46.600 -14.076 1.00
0.81 C
ATOM 242 SG CYS A 35 -27.776 -46.048 -15.485 1.00
0.81 S
ATOM 243 N GLY A 36 -31.905 -46.623 -13.150 1.00
0.81 N
ATOM 244 CA GLY A 36 -32.910 -47.287 -12.323 1.00
0.81 C
ATOM 245 C GLY A 36 -33.929 -46.384 -11.692 1.00
0.81 C
25
ATOM 246 O GLY A 36 -34.705 -46.819 -10.845 1.00

0.81 O
ATOM 247 N LEU A 37 -33.992 -45.102 -12.093 1.00
0.80 N
ATOM 248 CA LEU A 37 -35.080 -44.225 -11.699 1.00
0.80 C
ATOM 249 C LEU A 37 -36.427 -44.702 -12.197 1.00
0.80 C
ATOM 250 O LEU A 37 -36.562 -45.168 -13.334 1.00
0.80 O
ATOM 251 CB LEU A 37 -34.873 -42.774 -12.193 1.00
0.80 C
ATOM 252 CG LEU A 37 -33.880 -41.985 -11.332 1.00
0.80 C
ATOM 253 CD1 LEU A 37 -33.497 -40.661 -11.998 1.00
0.80 C
ATOM 254 CD2 LEU A 37 -34.432 -41.697 -9.933 1.00
0.80 C
ATOM 255 N ALA A 38 -37.478 -44.572 -11.366 1.00
0.81 N
ATOM 256 CA ALA A 38 -38.847 -44.700 -11.813 1.00
0.81 C
ATOM 257 C ALA A 38 -39.158 -43.593 -12.821 1.00
0.81 C
ATOM 258 O ALA A 38 -38.598 -42.505 -12.728 1.00
0.81 O
ATOM 259 CB ALA A 38 -39.833 -44.632 -10.624 1.00
0.81 C
ATOM 260 N LYS A 39 -40.031 -43.824 -13.820 1.00
0.79 N
ATOM 261 CA LYS A 39 -40.459 -42.777 -14.740 1.00
0.79 C
ATOM 262 C LYS A 39 -41.091 -41.580 -14.039 1.00
0.79 C
ATOM 263 O LYS A 39 -41.943 -41.746 -13.164 1.00
0.79 O
ATOM 264 CB LYS A 39 -41.485 -43.360 -15.754 1.00
0.79 C
ATOM 265 CG LYS A 39 -42.332 -42.329 -16.540 1.00
0.79 C
ATOM 266 CD LYS A 39 -43.406 -42.952 -17.452 1.00
0.79 C
ATOM 267 CE LYS A 39 -42.797 -43.675 -18.652 1.00
0.79 C
ATOM 268 NZ LYS A 39 -43.798 -44.389 -19.471 1.00
0.79 N
26
ATOM 269 N GLY A 40 -40.710 -40.351 -14.442 1.00

0.86 N
ATOM 270 CA GLY A 40 -41.193 -39.125 -13.834 1.00
0.86 C
ATOM 271 C GLY A 40 -40.067 -38.285 -13.314 1.00
0.86 C
ATOM 272 O GLY A 40 -38.883 -38.575 -13.503 1.00
0.86 O
ATOM 273 N LEU A 41 -40.448 -37.183 -12.653 1.00
0.84 N
ATOM 274 CA LEU A 41 -39.568 -36.196 -12.079 1.00
0.84 C
ATOM 275 C LEU A 41 -39.141 -36.617 -10.687 1.00
0.84 C
ATOM 276 O LEU A 41 -39.977 -36.997 -9.872 1.00
0.84 O
ATOM 277 CB LEU A 41 -40.320 -34.849 -11.896 1.00
0.84 C
ATOM 278 CG LEU A 41 -40.768 -34.158 -13.195 1.00
0.84 C
ATOM 279 CD1 LEU A 41 -41.809 -33.051 -12.942 1.00
0.84 C
ATOM 280 CD2 LEU A 41 -39.550 -33.544 -13.885 1.00
0.84 C
ATOM 281 N HIS A 42 -37.840 -36.512 -10.370 1.00
0.84 N
ATOM 282 CA HIS A 42 -37.296 -36.842 -9.070 1.00
0.84 C
ATOM 283 C HIS A 42 -36.524 -35.648 -8.568 1.00
0.84 C
ATOM 284 O HIS A 42 -35.684 -35.113 -9.294 1.00
0.84 O
ATOM 285 CB HIS A 42 -36.314 -38.015 -9.211 1.00
0.84 C
ATOM 286 CG HIS A 42 -37.027 -39.250 -9.615 1.00
0.84 C
ATOM 287 ND1 HIS A 42 -37.515 -40.050 -8.613 1.00
0.84 N
ATOM 288 CD2 HIS A 42 -37.406 -39.727 -10.823 1.00
0.84 C
ATOM 289 CE1 HIS A 42 -38.191 -40.992 -9.214 1.00
0.84 C
ATOM 290 NE2 HIS A 42 -38.155 -40.854 -10.563 1.00
0.84 N
ATOM 291 N GLY A 43 -36.805 -35.145 -7.343 1.00
0.90 N
27
ATOM 292 CA GLY A 43 -36.012 -34.100 -6.683 1.00

0.90 C
ATOM 293 C GLY A 43 -34.534 -34.364 -6.610 1.00
0.90 C
ATOM 294 O GLY A 43 -34.098 -35.505 -6.405 1.00
0.90 O
ATOM 295 N PHE A 44 -33.725 -33.316 -6.768 1.00
0.90 N
ATOM 296 CA PHE A 44 -32.303 -33.442 -6.915 1.00
0.90 C
ATOM 297 C PHE A 44 -31.677 -32.277 -6.175 1.00
0.90 C
ATOM 298 O PHE A 44 -31.843 -31.115 -6.569 1.00
0.90 O
ATOM 299 CB PHE A 44 -32.018 -33.407 -8.442 1.00
0.90 C
ATOM 300 CG PHE A 44 -30.630 -33.822 -8.829 1.00
0.90 C
ATOM 301 CD1 PHE A 44 -30.206 -35.135 -8.589 1.00
0.90 C
ATOM 302 CD2 PHE A 44 -29.776 -32.952 -9.526 1.00
0.90 C
ATOM 303 CE1 PHE A 44 -28.952 -35.575 -9.031 1.00
0.90 C
ATOM 304 CE2 PHE A 44 -28.517 -33.386 -9.963 1.00
0.90 C
ATOM 305 CZ PHE A 44 -28.106 -34.700 -9.719 1.00
0.90 C
ATOM 306 N HIS A 45 -30.947 -32.519 -5.072 1.00
0.89 N
ATOM 307 CA HIS A 45 -30.423 -31.418 -4.289 1.00
0.89 C
ATOM 308 C HIS A 45 -29.097 -31.748 -3.679 1.00
0.89 C
ATOM 309 O HIS A 45 -28.767 -32.912 -3.418 1.00
0.89 O
ATOM 310 CB HIS A 45 -31.334 -30.948 -3.126 1.00
0.89 C
ATOM 311 CG HIS A 45 -32.780 -31.088 -3.418 1.00
0.89 C
ATOM 312 ND1 HIS A 45 -33.522 -32.079 -2.810 1.00
0.89 N
ATOM 313 CD2 HIS A 45 -33.561 -30.316 -4.221 1.00
0.89 C
ATOM 314 CE1 HIS A 45 -34.759 -31.884 -3.258 1.00
0.89 C
28
ATOM 315 NE2 HIS A 45 -34.822 -30.839 -4.107 1.00

0.89 N
ATOM 316 N VAL A 46 -28.309 -30.705 -3.392 1.00
0.91 N
ATOM 317 CA VAL A 46 -27.133 -30.802 -2.552 1.00
0.91 C
ATOM 318 C VAL A 46 -27.592 -30.540 -1.126 1.00
0.91 C
ATOM 319 O VAL A 46 -28.139 -29.479 -0.811 1.00
0.91 O
ATOM 320 CB VAL A 46 -26.013 -29.839 -2.942 1.00
0.91 C
ATOM 321 CG1 VAL A 46 -24.791 -30.046 -2.019 1.00
0.91 C
ATOM 322 CG2 VAL A 46 -25.623 -30.052 -4.423 1.00
0.91 C
ATOM 323 N HIS A 47 -27.405 -31.512 -0.223 1.00
0.87 N
ATOM 324 CA HIS A 47 -27.722 -31.419 1.187 1.00
0.87 C
ATOM 325 C HIS A 47 -26.458 -31.047 1.919 1.00
0.87 C
ATOM 326 O HIS A 47 -25.355 -31.219 1.393 1.00
0.87 O
ATOM 327 CB HIS A 47 -28.338 -32.719 1.756 1.00
0.87 C
ATOM 328 CG HIS A 47 -29.700 -32.991 1.202 1.00
0.87 C
ATOM 329 ND1 HIS A 47 -30.748 -33.254 2.063 1.00
0.87 N
ATOM 330 CD2 HIS A 47 -30.147 -32.958 -0.078 1.00
0.87 C
ATOM 331 CE1 HIS A 47 -31.805 -33.361 1.293 1.00
0.87 C
ATOM 332 NE2 HIS A 47 -31.505 -33.192 -0.019 1.00
0.87 N
ATOM 333 N GLU A 48 -26.584 -30.467 3.123 1.00
0.85 N
ATOM 334 CA GLU A 48 -25.487 -29.832 3.831 1.00
0.85 C
ATOM 335 C GLU A 48 -24.290 -30.710 4.196 1.00
0.85 C
ATOM 336 O GLU A 48 -23.142 -30.320 3.963 1.00
0.85 O
ATOM 337 CB GLU A 48 -26.009 -29.139 5.110 1.00
0.85 C
29
ATOM 338 CG GLU A 48 -24.893 -28.401 5.892 1.00

0.85 C
ATOM 339 CD GLU A 48 -25.370 -27.510 7.035 1.00
0.85 C
ATOM 340 OE1 GLU A 48 -26.560 -27.579 7.426 1.00
0.85 O
ATOM 341 OE2 GLU A 48 -24.493 -26.741 7.512 1.00
0.85 O
ATOM 342 N PHE A 49 -24.523 -31.916 4.745 1.00
0.84 N
ATOM 343 CA PHE A 49 -23.498 -32.731 5.360 1.00
0.84 C
ATOM 344 C PHE A 49 -23.177 -33.932 4.494 1.00
0.84 C
ATOM 345 O PHE A 49 -24.049 -34.599 3.930 1.00
0.84 O
ATOM 346 CB PHE A 49 -23.927 -33.227 6.772 1.00
0.84 C
ATOM 347 CG PHE A 49 -24.156 -32.067 7.700 1.00
0.84 C
ATOM 348 CD1 PHE A 49 -23.077 -31.233 8.008 1.00
0.84 C
ATOM 349 CD2 PHE A 49 -25.417 -31.767 8.246 1.00
0.84 C
ATOM 350 CE1 PHE A 49 -23.246 -30.101 8.809 1.00
0.84 C
ATOM 351 CE2 PHE A 49 -25.591 -30.636 9.059 1.00
0.84 C
ATOM 352 CZ PHE A 49 -24.502 -29.805 9.340 1.00
0.84 C
ATOM 353 N GLY A 50 -21.877 -34.257 4.383 1.00
0.84 N
ATOM 354 CA GLY A 50 -21.340 -35.433 3.707 1.00
0.84 C
ATOM 355 C GLY A 50 -21.304 -36.615 4.622 1.00
0.84 C
ATOM 356 O GLY A 50 -20.347 -37.387 4.638 1.00
0.84 O
ATOM 357 N ASP A 51 -22.361 -36.768 5.420 1.00
0.80 N
ATOM 358 CA ASP A 51 -22.499 -37.750 6.442 1.00
0.80 C
ATOM 359 C ASP A 51 -23.492 -38.769 5.908 1.00
0.80 C
ATOM 360 O ASP A 51 -24.616 -38.409 5.481 1.00
0.80 O
30
ATOM 361 CB ASP A 51 -22.909 -37.014 7.748 1.00

0.80 C
ATOM 362 CG ASP A 51 -22.913 -37.916 8.966 1.00
0.80 C
ATOM 363 OD1 ASP A 51 -22.958 -39.160 8.778 1.00
0.80 O
ATOM 364 OD2 ASP A 51 -22.897 -37.377 10.101 1.00
0.80 O
ATOM 365 N ASN A 52 -23.102 -40.045 5.839 1.00
0.78 N
ATOM 366 CA ASN A 52 -23.973 -41.163 5.554 1.00
0.78 C
ATOM 367 C ASN A 52 -23.918 -42.229 6.656 1.00
0.78 C
ATOM 368 O ASN A 52 -24.182 -43.405 6.406 1.00
0.78 O
ATOM 369 CB ASN A 52 -23.850 -41.715 4.095 1.00
0.78 C
ATOM 370 CG ASN A 52 -22.419 -42.000 3.682 1.00
0.78 C
ATOM 371 OD1 ASN A 52 -21.680 -42.741 4.336 1.00
0.78 O
ATOM 372 ND2 ASN A 52 -21.963 -41.416 2.552 1.00
0.78 N
ATOM 373 N THR A 53 -23.632 -41.854 7.934 1.00
0.77 N
ATOM 374 CA THR A 53 -23.705 -42.790 9.076 1.00
0.77 C
ATOM 375 C THR A 53 -25.085 -43.398 9.304 1.00
0.77 C
ATOM 376 O THR A 53 -25.204 -44.507 9.840 1.00
0.77 O
ATOM 377 CB THR A 53 -23.226 -42.230 10.410 1.00
0.77 C
ATOM 378 OG1 THR A 53 -23.979 -41.090 10.894 1.00
0.77 O
ATOM 379 CG2 THR A 53 -21.774 -41.744 10.280 1.00
0.77 C
ATOM 380 N ASN A 54 -26.149 -42.696 8.885 1.00
0.81 N
ATOM 381 CA ASN A 54 -27.541 -43.065 8.964 1.00
0.81 C
ATOM 382 C ASN A 54 -28.101 -42.939 7.539 1.00
0.81 C
ATOM 383 O ASN A 54 -29.122 -42.293 7.287 1.00
0.81 O
31
ATOM 384 CB ASN A 54 -28.258 -42.096 9.948 1.00

0.81 C
ATOM 385 CG ASN A 54 -29.668 -42.577 10.255 1.00
0.81 C
ATOM 386 OD1 ASN A 54 -30.020 -43.731 10.023 1.00
0.81 O
ATOM 387 ND2 ASN A 54 -30.527 -41.672 10.785 1.00
0.81 N
ATOM 388 N GLY A 55 -27.412 -43.530 6.532 1.00
0.85 N
ATOM 389 CA GLY A 55 -27.804 -43.451 5.123 1.00
0.85 C
ATOM 390 C GLY A 55 -27.928 -42.045 4.578 1.00
0.85 C
ATOM 391 O GLY A 55 -27.093 -41.179 4.832 1.00
0.85 O
ATOM 392 N CYS A 56 -28.986 -41.740 3.816 1.00
0.87 N
ATOM 393 CA CYS A 56 -29.183 -40.385 3.305 1.00
0.87 C
ATOM 394 C CYS A 56 -29.922 -39.473 4.278 1.00
0.87 C
ATOM 395 O CYS A 56 -30.155 -38.288 3.960 1.00
0.87 O
ATOM 396 CB CYS A 56 -30.016 -40.410 2.003 1.00
0.87 C
ATOM 397 SG CYS A 56 -29.328 -41.509 0.734 1.00
0.87 S
ATOM 398 N MET A 57 -30.340 -39.935 5.463 1.00
0.84 N
ATOM 399 CA MET A 57 -30.937 -39.125 6.512 1.00
0.84 C
ATOM 400 C MET A 57 -29.953 -38.179 7.196 1.00
0.84 C
ATOM 401 O MET A 57 -30.294 -37.052 7.532 1.00
0.84 O
ATOM 402 CB MET A 57 -31.583 -39.996 7.604 1.00
0.84 C
ATOM 403 CG MET A 57 -32.818 -40.783 7.132 1.00
0.84 C
ATOM 404 SD MET A 57 -33.484 -41.920 8.390 1.00
0.84 S
ATOM 405 CE MET A 57 -34.052 -40.667 9.577 1.00
0.84 C
ATOM 406 N SER A 58 -28.688 -38.624 7.402 1.00
0.84 N
32
ATOM 407 CA SER A 58 -27.675 -37.855 8.122 1.00

0.84 C
ATOM 408 C SER A 58 -27.047 -36.772 7.262 1.00
0.84 C
ATOM 409 O SER A 58 -26.289 -35.948 7.754 1.00
0.84 O
ATOM 410 CB SER A 58 -26.558 -38.706 8.797 1.00
0.84 C
ATOM 411 OG SER A 58 -26.144 -39.860 8.027 1.00
0.84 O
ATOM 412 N SER A 59 -27.448 -36.659 5.972 1.00
0.86 N
ATOM 413 CA SER A 59 -27.024 -35.573 5.093 1.00
0.86 C
ATOM 414 C SER A 59 -27.577 -34.204 5.490 1.00
0.86 C
ATOM 415 O SER A 59 -27.095 -33.165 5.045 1.00
0.86 O
ATOM 416 CB SER A 59 -27.355 -35.831 3.591 1.00
0.86 C
ATOM 417 OG SER A 59 -28.753 -35.804 3.298 1.00
0.86 O
ATOM 418 N GLY A 60 -28.599 -34.193 6.378 1.00
0.88 N
ATOM 419 CA GLY A 60 -29.206 -33.002 6.946 1.00
0.88 C
ATOM 420 C GLY A 60 -30.271 -32.398 6.053 1.00
0.88 C
ATOM 421 O GLY A 60 -31.037 -33.132 5.433 1.00
0.88 O
ATOM 422 N PRO A 61 -30.415 -31.079 6.036 1.00
0.89 N
ATOM 423 CA PRO A 61 -31.315 -30.399 5.130 1.00
0.89 C
ATOM 424 C PRO A 61 -30.571 -29.987 3.881 1.00
0.89 C
ATOM 425 O PRO A 61 -29.376 -30.267 3.741 1.00
0.89 O
ATOM 426 CB PRO A 61 -31.768 -29.187 5.960 1.00
0.89 C
ATOM 427 CG PRO A 61 -30.559 -28.834 6.836 1.00
0.89 C
ATOM 428 CD PRO A 61 -29.793 -30.151 6.988 1.00
0.89 C
ATOM 429 N HIS A 62 -31.263 -29.328 2.937 1.00
0.88 N
33
ATOM 430 CA HIS A 62 -30.674 -28.779 1.735 1.00

0.88 C
ATOM 431 C HIS A 62 -29.643 -27.725 2.050 1.00
0.88 C
ATOM 432 O HIS A 62 -29.781 -26.955 3.001 1.00
0.88 O
ATOM 433 CB HIS A 62 -31.746 -28.178 0.842 1.00
0.88 C
ATOM 434 CG HIS A 62 -32.820 -29.144 0.495 1.00
0.88 C
ATOM 435 ND1 HIS A 62 -33.735 -28.646 -0.372 1.00
0.88 N
ATOM 436 CD2 HIS A 62 -33.153 -30.412 0.848 1.00
0.88 C
ATOM 437 CE1 HIS A 62 -34.618 -29.577 -0.555 1.00
0.88 C
ATOM 438 NE2 HIS A 62 -34.322 -30.694 0.163 1.00
0.88 N
ATOM 439 N PHE A 63 -28.548 -27.682 1.276 1.00
0.89 N
ATOM 440 CA PHE A 63 -27.458 -26.767 1.521 1.00
0.89 C
ATOM 441 C PHE A 63 -27.890 -25.311 1.384 1.00
0.89 C
ATOM 442 O PHE A 63 -28.310 -24.850 0.311 1.00
0.89 O
ATOM 443 CB PHE A 63 -26.251 -27.123 0.615 1.00
0.89 C
ATOM 444 CG PHE A 63 -25.010 -26.312 0.892 1.00
0.89 C
ATOM 445 CD1 PHE A 63 -24.591 -25.950 2.187 1.00
0.89 C
ATOM 446 CD2 PHE A 63 -24.259 -25.866 -0.200 1.00
0.89 C
ATOM 447 CE1 PHE A 63 -23.512 -25.071 2.365 1.00
0.89 C
ATOM 448 CE2 PHE A 63 -23.137 -25.056 -0.015 1.00
0.89 C
ATOM 449 CZ PHE A 63 -22.781 -24.623 1.261 1.00
0.89 C
ATOM 450 N ASN A 64 -27.807 -24.555 2.493 1.00
0.86 N
ATOM 451 CA ASN A 64 -28.459 -23.273 2.609 1.00
0.86 C
ATOM 452 C ASN A 64 -27.546 -22.212 3.255 1.00
0.86 C
34
ATOM 453 O ASN A 64 -27.901 -21.670 4.301 1.00

0.86 O
ATOM 454 CB ASN A 64 -29.764 -23.525 3.407 1.00
0.86 C
ATOM 455 CG ASN A 64 -30.655 -22.298 3.378 1.00
0.86 C
ATOM 456 OD1 ASN A 64 -30.499 -21.420 2.523 1.00
0.86 O
ATOM 457 ND2 ASN A 64 -31.639 -22.234 4.305 1.00
0.86 N
ATOM 458 N PRO A 65 -26.381 -21.852 2.696 1.00
0.85 N
ATOM 459 CA PRO A 65 -25.472 -20.861 3.274 1.00
0.85 C
ATOM 460 C PRO A 65 -26.058 -19.459 3.272 1.00
0.85 C
ATOM 461 O PRO A 65 -25.662 -18.642 4.096 1.00
0.85 O
ATOM 462 CB PRO A 65 -24.208 -20.962 2.400 1.00
0.85 C
ATOM 463 CG PRO A 65 -24.727 -21.441 1.045 1.00
0.85 C
ATOM 464 CD PRO A 65 -25.851 -22.388 1.443 1.00
0.85 C
ATOM 465 N TYR A 66 -27.005 -19.169 2.357 1.00
0.82 N
ATOM 466 CA TYR A 66 -27.613 -17.862 2.204 1.00
0.82 C
ATOM 467 C TYR A 66 -28.929 -17.738 2.956 1.00
0.82 C
ATOM 468 O TYR A 66 -29.612 -16.726 2.820 1.00
0.82 O
ATOM 469 CB TYR A 66 -27.872 -17.537 0.708 1.00
0.82 C
ATOM 470 CG TYR A 66 -26.601 -17.092 0.058 1.00
0.82 C
ATOM 471 CD1 TYR A 66 -26.104 -15.798 0.294 1.00
0.82 C
ATOM 472 CD2 TYR A 66 -25.898 -17.948 -0.797 1.00
0.82 C
ATOM 473 CE1 TYR A 66 -24.929 -15.363 -0.340 1.00
0.82 C
ATOM 474 CE2 TYR A 66 -24.737 -17.508 -1.438 1.00
0.82 C
ATOM 475 CZ TYR A 66 -24.253 -16.223 -1.212 1.00
0.82 C
35
ATOM 476 OH TYR A 66 -23.054 -15.884 -1.871 1.00

0.82 O
ATOM 477 N GLY A 67 -29.310 -18.744 3.781 1.00
0.86 N
ATOM 478 CA GLY A 67 -30.484 -18.687 4.656 1.00
0.86 C
ATOM 479 C GLY A 67 -31.807 -18.332 4.028 1.00
0.86 C
ATOM 480 O GLY A 67 -32.488 -17.403 4.450 1.00
0.86 O
ATOM 481 N LYS A 68 -32.200 -19.098 3.004 1.00
0.82 N
ATOM 482 CA LYS A 68 -33.405 -18.895 2.239 1.00
0.82 C
ATOM 483 C LYS A 68 -34.371 -20.047 2.461 1.00
0.82 C
ATOM 484 O LYS A 68 -34.038 -21.037 3.121 1.00
0.82 O
ATOM 485 CB LYS A 68 -33.035 -18.760 0.744 1.00
0.82 C
ATOM 486 CG LYS A 68 -32.443 -17.382 0.405 1.00
0.82 C
ATOM 487 CD LYS A 68 -32.227 -17.232 -1.105 1.00
0.82 C
ATOM 488 CE LYS A 68 -31.690 -15.869 -1.527 1.00
0.82 C
ATOM 489 NZ LYS A 68 -31.590 -15.835 -3.003 1.00
0.82 N
ATOM 490 N GLU A 69 -35.603 -19.913 1.931 1.00
0.83 N
ATOM 491 CA GLU A 69 -36.600 -20.964 1.847 1.00
0.83 C
ATOM 492 C GLU A 69 -36.290 -21.795 0.605 1.00
0.83 C
ATOM 493 O GLU A 69 -35.514 -21.362 -0.251 1.00
0.83 O
ATOM 494 CB GLU A 69 -38.047 -20.388 1.753 1.00
0.83 C
ATOM 495 CG GLU A 69 -38.486 -19.528 2.971 1.00
0.83 C
ATOM 496 CD GLU A 69 -38.532 -20.347 4.259 1.00
0.83 C
ATOM 497 OE1 GLU A 69 -38.805 -21.568 4.164 1.00
0.83 O
ATOM 498 OE2 GLU A 69 -38.284 -19.745 5.333 1.00
0.83 O
36
ATOM 499 N HIS A 70 -36.855 -23.012 0.491 1.00

0.87 N
ATOM 500 CA HIS A 70 -36.744 -23.898 -0.666 1.00
0.87 C
ATOM 501 C HIS A 70 -37.363 -23.348 -1.930 1.00
0.87 C
ATOM 502 O HIS A 70 -38.431 -22.719 -1.901 1.00
0.87 O
ATOM 503 CB HIS A 70 -37.418 -25.267 -0.383 1.00
0.87 C
ATOM 504 CG HIS A 70 -37.420 -26.243 -1.509 1.00
0.87 C
ATOM 505 ND1 HIS A 70 -36.243 -26.883 -1.763 1.00
0.87 N
ATOM 506 CD2 HIS A 70 -38.330 -26.521 -2.476 1.00
0.87 C
ATOM 507 CE1 HIS A 70 -36.428 -27.527 -2.889 1.00
0.87 C
ATOM 508 NE2 HIS A 70 -37.683 -27.354 -3.362 1.00
0.87 N
ATOM 509 N GLY A 71 -36.721 -23.620 -3.076 1.00
0.89 N
ATOM 510 CA GLY A 71 -37.273 -23.281 -4.369 1.00
0.89 C
ATOM 511 C GLY A 71 -36.694 -24.146 -5.440 1.00
0.89 C
ATOM 512 O GLY A 71 -35.974 -25.115 -5.221 1.00
0.89 O
ATOM 513 N ALA A 72 -36.989 -23.793 -6.688 1.00
0.90 N
ATOM 514 CA ALA A 72 -36.352 -24.335 -7.860 1.00
0.90 C
ATOM 515 C ALA A 72 -34.989 -23.723 -8.135 1.00
0.90 C
ATOM 516 O ALA A 72 -34.682 -22.684 -7.562 1.00
0.90 O
ATOM 517 CB ALA A 72 -37.235 -23.968 -9.063 1.00
0.90 C
ATOM 518 N PRO A 73 -34.149 -24.229 -9.047 1.00
0.89 N
ATOM 519 CA PRO A 73 -32.888 -23.591 -9.394 1.00
0.89 C
ATOM 520 C PRO A 73 -33.090 -22.199 -9.971 1.00
0.89 C
ATOM 521 O PRO A 73 -32.211 -21.356 -9.799 1.00
0.89 O
37
ATOM 522 CB PRO A 73 -32.187 -24.569 -10.358 1.00

0.89 C
ATOM 523 CG PRO A 73 -33.289 -25.539 -10.799 1.00
0.89 C
ATOM 524 CD PRO A 73 -34.208 -25.581 -9.577 1.00
0.89 C
ATOM 525 N VAL A 74 -34.243 -21.949 -10.627 1.00
0.86 N
ATOM 526 CA VAL A 74 -34.596 -20.688 -11.254 1.00
0.86 C
ATOM 527 C VAL A 74 -35.420 -19.784 -10.352 1.00
0.86 C
ATOM 528 O VAL A 74 -35.675 -18.635 -10.709 1.00
0.86 O
ATOM 529 CB VAL A 74 -35.376 -20.900 -12.561 1.00
0.86 C
ATOM 530 CG1 VAL A 74 -34.502 -21.713 -13.538 1.00
0.86 C
ATOM 531 CG2 VAL A 74 -36.755 -21.569 -12.340 1.00
0.86 C
ATOM 532 N ASP A 75 -35.843 -20.242 -9.153 1.00
0.82 N
ATOM 533 CA ASP A 75 -36.564 -19.397 -8.226 1.00
0.82 C
ATOM 534 C ASP A 75 -35.705 -18.280 -7.651 1.00
0.82 C
ATOM 535 O ASP A 75 -34.504 -18.423 -7.390 1.00
0.82 O
ATOM 536 CB ASP A 75 -37.189 -20.222 -7.078 1.00
0.82 C
ATOM 537 CG ASP A 75 -38.470 -20.909 -7.510 1.00
0.82 C
ATOM 538 OD1 ASP A 75 -39.043 -20.547 -8.565 1.00
0.82 O
ATOM 539 OD2 ASP A 75 -38.890 -21.827 -6.772 1.00
0.82 O
ATOM 540 N GLU A 76 -36.335 -17.113 -7.415 1.00
0.75 N
ATOM 541 CA GLU A 76 -35.735 -15.964 -6.760 1.00
0.75 C
ATOM 542 C GLU A 76 -35.310 -16.290 -5.316 1.00
0.75 C
ATOM 543 O GLU A 76 -34.234 -15.907 -4.817 1.00
0.75 O
ATOM 544 CB GLU A 76 -36.708 -14.758 -6.845 1.00
0.75 C
38
ATOM 545 CG GLU A 76 -36.929 -14.230 -8.291 1.00

0.75 C
ATOM 546 CD GLU A 76 -37.871 -13.023 -8.326 1.00
0.75 C
ATOM 547 OE1 GLU A 76 -38.439 -12.687 -7.256 1.00
0.75 O
ATOM 548 OE2 GLU A 76 -38.019 -12.433 -9.426 1.00
0.75 O
ATOM 549 N ASN A 77 -36.147 -17.089 -4.630 1.00
0.84 N
ATOM 550 CA ASN A 77 -35.953 -17.589 -3.293 1.00
0.84 C
ATOM 551 C ASN A 77 -35.685 -19.087 -3.429 1.00
0.84 C
ATOM 552 O ASN A 77 -36.541 -19.810 -3.930 1.00
0.84 O
ATOM 553 CB ASN A 77 -37.225 -17.287 -2.448 1.00
0.84 C
ATOM 554 CG ASN A 77 -36.963 -17.532 -0.972 1.00
0.84 C
ATOM 555 OD1 ASN A 77 -35.942 -18.119 -0.595 1.00
0.84 O
ATOM 556 ND2 ASN A 77 -37.835 -17.045 -0.074 1.00
0.84 N
ATOM 557 N ARG A 78 -34.487 -19.565 -3.047 1.00
0.81 N
ATOM 558 CA ARG A 78 -34.128 -20.958 -3.157 1.00
0.81 C
ATOM 559 C ARG A 78 -32.937 -21.212 -2.280 1.00
0.81 C
ATOM 560 O ARG A 78 -32.113 -20.296 -2.050 1.00
0.81 O
ATOM 561 CB ARG A 78 -33.697 -21.374 -4.591 1.00
0.81 C
ATOM 562 CG ARG A 78 -32.601 -20.478 -5.216 1.00
0.81 C
ATOM 563 CD ARG A 78 -32.023 -21.026 -6.526 1.00
0.81 C
ATOM 564 NE ARG A 78 -30.975 -22.059 -6.187 1.00
0.81 N
ATOM 565 CZ ARG A 78 -30.055 -22.496 -7.076 1.00
0.81 C
ATOM 566 NH1 ARG A 78 -30.012 -22.034 -8.314 1.00
0.81 N
ATOM 567 NH2 ARG A 78 -29.095 -23.367 -6.745 1.00
0.81 N
39
ATOM 568 N HIS A 79 -32.735 -22.443 -1.814 1.00

0.87 N
ATOM 569 CA HIS A 79 -31.509 -22.908 -1.238 1.00
0.87 C
ATOM 570 C HIS A 79 -30.414 -22.900 -2.292 1.00
0.87 C
ATOM 571 O HIS A 79 -30.647 -22.935 -3.519 1.00
0.87 O
ATOM 572 CB HIS A 79 -31.663 -24.284 -0.555 1.00
0.87 C
ATOM 573 CG HIS A 79 -32.732 -24.290 0.490 1.00
0.87 C
ATOM 574 ND1 HIS A 79 -33.547 -25.386 0.577 1.00
0.87 N
ATOM 575 CD2 HIS A 79 -33.078 -23.388 1.435 1.00
0.87 C
ATOM 576 CE1 HIS A 79 -34.384 -25.144 1.545 1.00
0.87 C
ATOM 577 NE2 HIS A 79 -34.142 -23.941 2.126 1.00
0.87 N
ATOM 578 N LEU A 80 -29.153 -22.799 -1.891 1.00
0.88 N
ATOM 579 CA LEU A 80 -28.041 -22.954 -2.801 1.00
0.88 C
ATOM 580 C LEU A 80 -27.951 -24.351 -3.382 1.00
0.88 C
ATOM 581 O LEU A 80 -27.618 -24.543 -4.553 1.00
0.88 O
ATOM 582 CB LEU A 80 -26.758 -22.609 -2.075 1.00
0.88 C
ATOM 583 CG LEU A 80 -25.574 -22.479 -3.025 1.00
0.88 C
ATOM 584 CD1 LEU A 80 -24.974 -21.090 -2.864 1.00
0.88 C
ATOM 585 CD2 LEU A 80 -24.551 -23.551 -2.682 1.00
0.88 C
ATOM 586 N GLY A 81 -28.322 -25.361 -2.584 1.00
0.91 N
ATOM 587 CA GLY A 81 -28.346 -26.748 -3.012 1.00
0.91 C
ATOM 588 C GLY A 81 -29.465 -27.152 -3.949 1.00
0.91 C
ATOM 589 O GLY A 81 -29.461 -28.296 -4.406 1.00
0.91 O
ATOM 590 N ASP A 82 -30.428 -26.261 -4.261 1.00
0.90 N
40
ATOM 591 CA ASP A 82 -31.600 -26.563 -5.068 1.00

0.90 C
ATOM 592 C ASP A 82 -31.304 -26.736 -6.535 1.00
0.90 C
ATOM 593 O ASP A 82 -31.134 -25.766 -7.278 1.00
0.90 O
ATOM 594 CB ASP A 82 -32.671 -25.455 -4.917 1.00
0.90 C
ATOM 595 CG ASP A 82 -33.208 -25.488 -3.500 1.00
0.90 C
ATOM 596 OD1 ASP A 82 -32.897 -26.481 -2.800 1.00
0.90 O
ATOM 597 OD2 ASP A 82 -33.848 -24.484 -3.096 1.00
0.90 O
ATOM 598 N LEU A 83 -31.279 -27.994 -7.008 1.00
0.90 N
ATOM 599 CA LEU A 83 -30.992 -28.293 -8.393 1.00
0.90 C
ATOM 600 C LEU A 83 -32.227 -28.820 -9.110 1.00
0.90 C
ATOM 601 O LEU A 83 -32.171 -29.247 -10.260 1.00
0.90 O
ATOM 602 CB LEU A 83 -29.797 -29.267 -8.513 1.00
0.90 C
ATOM 603 CG LEU A 83 -28.484 -28.770 -7.863 1.00
0.90 C
ATOM 604 CD1 LEU A 83 -27.380 -29.820 -8.067 1.00
0.90 C
ATOM 605 CD2 LEU A 83 -28.034 -27.394 -8.391 1.00
0.90 C
ATOM 606 N GLY A 84 -33.414 -28.725 -8.470 1.00
0.91 N
ATOM 607 CA GLY A 84 -34.685 -29.009 -9.119 1.00
0.91 C
ATOM 608 C GLY A 84 -34.973 -30.472 -9.273 1.00
0.91 C
ATOM 609 O GLY A 84 -34.927 -31.248 -8.320 1.00
0.91 O
ATOM 610 N ASN A 85 -35.318 -30.884 -10.502 1.00
0.87 N
ATOM 611 CA ASN A 85 -35.635 -32.246 -10.836 1.00
0.87 C
ATOM 612 C ASN A 85 -34.708 -32.783 -11.873 1.00
0.87 C
ATOM 613 O ASN A 85 -34.333 -32.082 -12.830 1.00
0.87 O
41
ATOM 614 CB ASN A 85 -37.025 -32.394 -11.475 1.00

0.87 C
ATOM 615 CG ASN A 85 -38.072 -31.993 -10.465 1.00
0.87 C
ATOM 616 OD1 ASN A 85 -38.701 -30.938 -10.580 1.00
0.87 O
ATOM 617 ND2 ASN A 85 -38.270 -32.840 -9.437 1.00
0.87 N
ATOM 618 N ILE A 86 -34.389 -34.069 -11.760 1.00
0.85 N
ATOM 619 CA ILE A 86 -33.926 -34.866 -12.868 1.00
0.85 C
ATOM 620 C ILE A 86 -35.104 -35.718 -13.265 1.00
0.85 C
ATOM 621 O ILE A 86 -35.923 -36.097 -12.412 1.00
0.85 O
ATOM 622 CB ILE A 86 -32.673 -35.696 -12.583 1.00
0.85 C
ATOM 623 CG1 ILE A 86 -32.833 -36.702 -11.409 1.00
0.85 C
ATOM 624 CG2 ILE A 86 -31.518 -34.691 -12.363 1.00
0.85 C
ATOM 625 CD1 ILE A 86 -31.620 -37.628 -11.228 1.00
0.85 C
ATOM 626 N GLU A 87 -35.269 -35.990 -14.564 1.00
0.79 N
ATOM 627 CA GLU A 87 -36.430 -36.673 -15.080 1.00
0.79 C
ATOM 628 C GLU A 87 -36.068 -37.923 -15.841 1.00
0.79 C
ATOM 629 O GLU A 87 -35.268 -37.907 -16.784 1.00
0.79 O
ATOM 630 CB GLU A 87 -37.236 -35.752 -16.012 1.00
0.79 C
ATOM 631 CG GLU A 87 -38.589 -36.371 -16.439 1.00
0.79 C
ATOM 632 CD GLU A 87 -39.614 -35.355 -16.946 1.00
0.79 C
ATOM 633 OE1 GLU A 87 -40.793 -35.781 -17.047 1.00
0.79 O
ATOM 634 OE2 GLU A 87 -39.249 -34.184 -17.209 1.00
0.79 O
ATOM 635 N ALA A 88 -36.663 -39.058 -15.450 1.00
0.83 N
ATOM 636 CA ALA A 88 -36.584 -40.276 -16.212 1.00
0.83 C
42
ATOM 637 C ALA A 88 -37.747 -40.307 -17.186 1.00

0.83 C
ATOM 638 O ALA A 88 -38.915 -40.307 -16.781 1.00
0.83 O
ATOM 639 CB ALA A 88 -36.657 -41.499 -15.278 1.00
0.83 C
ATOM 640 N THR A 89 -37.468 -40.395 -18.504 1.00
0.63 N
ATOM 641 CA THR A 89 -38.471 -40.422 -19.570 1.00
0.63 C
ATOM 642 C THR A 89 -39.193 -41.760 -19.602 1.00
0.63 C
ATOM 643 O THR A 89 -40.250 -41.922 -20.200 1.00
0.63 O
ATOM 644 CB THR A 89 -37.874 -40.173 -20.960 1.00
0.63 C
ATOM 645 OG1 THR A 89 -36.790 -41.053 -21.244 1.00
0.63 O
ATOM 646 CG2 THR A 89 -37.318 -38.742 -21.001 1.00
0.63 C
ATOM 647 N GLY A 90 -38.626 -42.766 -18.896 1.00
0.69 N
ATOM 648 CA GLY A 90 -39.193 -44.106 -18.796 1.00
0.69 C
ATOM 649 C GLY A 90 -38.772 -45.114 -19.808 1.00
0.69 C
ATOM 650 O GLY A 90 -39.342 -46.206 -19.828 1.00
0.69 O
ATOM 651 N ASP A 91 -37.818 -44.762 -20.660 1.00
0.56 N
ATOM 652 CA ASP A 91 -37.278 -45.613 -21.689 1.00
0.56 C
ATOM 653 C ASP A 91 -35.781 -45.601 -21.437 1.00
0.56 C
ATOM 654 O ASP A 91 -35.180 -46.566 -20.935 1.00
0.56 O
ATOM 655 CB ASP A 91 -37.713 -45.007 -23.059 1.00
0.56 C
ATOM 656 CG ASP A 91 -37.346 -45.861 -24.263 1.00
0.56 C
ATOM 657 OD1 ASP A 91 -36.820 -46.980 -24.074 1.00
0.56 O
ATOM 658 OD2 ASP A 91 -37.612 -45.371 -25.391 1.00
0.56 O
ATOM 659 N CYS A 92 -35.136 -44.458 -21.681 1.00
0.38 N
43
ATOM 660 CA CYS A 92 -33.706 -44.328 -21.596 1.00

0.38 C
ATOM 661 C CYS A 92 -33.281 -44.090 -20.138 1.00
0.38 C
ATOM 662 O CYS A 92 -34.073 -43.593 -19.335 1.00
0.38 O
ATOM 663 CB CYS A 92 -33.188 -43.226 -22.561 1.00
0.38 C
ATOM 664 SG CYS A 92 -33.463 -43.690 -24.309 1.00
0.38 S
ATOM 665 N PRO A 93 -32.062 -44.429 -19.718 1.00
0.74 N
ATOM 666 CA PRO A 93 -31.439 -43.885 -18.518 1.00
0.74 C
ATOM 667 C PRO A 93 -31.417 -42.383 -18.403 1.00
0.74 C
ATOM 668 O PRO A 93 -31.446 -41.675 -19.427 1.00
0.74 O
ATOM 669 CB PRO A 93 -29.992 -44.404 -18.537 1.00
0.74 C
ATOM 670 CG PRO A 93 -29.974 -45.559 -19.542 1.00
0.74 C
ATOM 671 CD PRO A 93 -31.176 -45.319 -20.456 1.00
0.74 C
ATOM 672 N THR A 94 -31.326 -41.867 -17.180 1.00
0.81 N
ATOM 673 CA THR A 94 -31.520 -40.467 -16.899 1.00
0.81 C
ATOM 674 C THR A 94 -30.239 -39.732 -17.109 1.00
0.81 C
ATOM 675 O THR A 94 -29.275 -39.886 -16.357 1.00
0.81 O
ATOM 676 CB THR A 94 -32.001 -40.220 -15.490 1.00
0.81 C
ATOM 677 OG1 THR A 94 -33.282 -40.815 -15.346 1.00
0.81 O
ATOM 678 CG2 THR A 94 -32.160 -38.722 -15.189 1.00
0.81 C
ATOM 679 N LYS A 95 -30.181 -38.900 -18.159 1.00
0.79 N
ATOM 680 CA LYS A 95 -29.091 -37.968 -18.323 1.00
0.79 C
ATOM 681 C LYS A 95 -29.156 -36.846 -17.310 1.00
0.79 C
ATOM 682 O LYS A 95 -30.213 -36.261 -17.049 1.00
0.79 O
44
ATOM 683 CB LYS A 95 -28.953 -37.403 -19.765 1.00

0.79 C
ATOM 684 CG LYS A 95 -28.732 -38.470 -20.868 1.00
0.79 C
ATOM 685 CD LYS A 95 -27.636 -39.509 -20.518 1.00
0.79 C
ATOM 686 CE LYS A 95 -27.414 -40.656 -21.519 1.00
0.79 C
ATOM 687 NZ LYS A 95 -26.459 -41.649 -20.971 1.00
0.79 N
ATOM 688 N VAL A 96 -28.006 -36.508 -16.721 1.00
0.84 N
ATOM 689 CA VAL A 96 -27.863 -35.343 -15.888 1.00
0.84 C
ATOM 690 C VAL A 96 -27.112 -34.357 -16.756 1.00
0.84 C
ATOM 691 O VAL A 96 -26.088 -34.699 -17.374 1.00
0.84 O
ATOM 692 CB VAL A 96 -27.153 -35.633 -14.566 1.00
0.84 C
ATOM 693 CG1 VAL A 96 -26.954 -34.331 -13.763 1.00
0.84 C
ATOM 694 CG2 VAL A 96 -27.989 -36.642 -13.744 1.00
0.84 C
ATOM 695 N ASN A 97 -27.628 -33.131 -16.886 1.00
0.84 N
ATOM 696 CA ASN A 97 -27.023 -32.082 -17.668 1.00
0.84 C
ATOM 697 C ASN A 97 -27.553 -30.753 -17.132 1.00
0.84 C
ATOM 698 O ASN A 97 -28.553 -30.221 -17.620 1.00
0.84 O
ATOM 699 CB ASN A 97 -27.336 -32.297 -19.172 1.00
0.84 C
ATOM 700 CG ASN A 97 -26.483 -31.415 -20.067 1.00
0.84 C
ATOM 701 OD1 ASN A 97 -25.533 -30.737 -19.656 1.00
0.84 O
ATOM 702 ND2 ASN A 97 -26.807 -31.446 -21.378 1.00
0.84 N
ATOM 703 N ILE A 98 -26.934 -30.226 -16.061 1.00
0.86 N
ATOM 704 CA ILE A 98 -27.358 -29.031 -15.346 1.00
0.86 C
ATOM 705 C ILE A 98 -26.207 -28.044 -15.335 1.00
0.86 C
45
ATOM 706 O ILE A 98 -25.036 -28.435 -15.335 1.00

0.86 O
ATOM 707 CB ILE A 98 -27.807 -29.392 -13.922 1.00
0.86 C
ATOM 708 CG1 ILE A 98 -29.164 -30.130 -13.976 1.00
0.86 C
ATOM 709 CG2 ILE A 98 -27.862 -28.187 -12.942 1.00
0.86 C
ATOM 710 CD1 ILE A 98 -29.477 -30.884 -12.679 1.00
0.86 C
ATOM 711 N THR A 99 -26.497 -26.733 -15.333 1.00
0.85 N
ATOM 712 CA THR A 99 -25.523 -25.684 -15.081 1.00
0.85 C
ATOM 713 C THR A 99 -26.143 -24.819 -14.003 1.00
0.85 C
ATOM 714 O THR A 99 -27.309 -24.438 -14.137 1.00
0.85 O
ATOM 715 CB THR A 99 -25.199 -24.835 -16.306 1.00
0.85 C
ATOM 716 OG1 THR A 99 -24.519 -25.610 -17.284 1.00
0.85 O
ATOM 717 CG2 THR A 99 -24.242 -23.688 -15.967 1.00
0.85 C
ATOM 718 N ASP A 100 -25.423 -24.499 -12.908 1.00
0.85 N
ATOM 719 CA ASP A 100 -25.940 -23.669 -11.835 1.00
0.85 C
ATOM 720 C ASP A 100 -24.835 -22.713 -11.384 1.00
0.85 C
ATOM 721 O ASP A 100 -23.657 -23.074 -11.339 1.00
0.85 O
ATOM 722 CB ASP A 100 -26.476 -24.530 -10.652 1.00
0.85 C
ATOM 723 CG ASP A 100 -27.189 -23.693 -9.605 1.00
0.85 C
ATOM 724 OD1 ASP A 100 -28.302 -23.204 -9.901 1.00
0.85 O
ATOM 725 OD2 ASP A 100 -26.652 -23.491 -8.487 1.00
0.85 O
ATOM 726 N SER A 101 -25.212 -21.456 -11.075 1.00
0.83 N
ATOM 727 CA SER A 101 -24.317 -20.368 -10.673 1.00
0.83 C
ATOM 728 C SER A 101 -24.356 -20.114 -9.190 1.00
0.83 C
46
ATOM 729 O SER A 101 -23.647 -19.223 -8.703 1.00

0.83 O
ATOM 730 CB SER A 101 -24.750 -19.003 -11.278 1.00
0.83 C
ATOM 731 OG SER A 101 -24.547 -18.939 -12.688 1.00
0.83 O
ATOM 732 N LYS A 102 -25.190 -20.821 -8.409 1.00
0.80 N
ATOM 733 CA LYS A 102 -25.166 -20.648 -6.975 1.00
0.80 C
ATOM 734 C LYS A 102 -24.127 -21.582 -6.401 1.00
0.80 C
ATOM 735 O LYS A 102 -23.200 -21.157 -5.719 1.00
0.80 O
ATOM 736 CB LYS A 102 -26.560 -20.932 -6.361 1.00
0.80 C
ATOM 737 CG LYS A 102 -27.668 -19.974 -6.812 1.00
0.80 C
ATOM 738 CD LYS A 102 -27.489 -18.572 -6.241 1.00
0.80 C
ATOM 739 CE LYS A 102 -28.666 -17.685 -6.608 1.00
0.80 C
ATOM 740 NZ LYS A 102 -28.391 -16.335 -6.092 1.00
0.80 N
ATOM 741 N ILE A 103 -24.222 -22.888 -6.716 1.00
0.84 N
ATOM 742 CA ILE A 103 -23.233 -23.859 -6.285 1.00
0.84 C
ATOM 743 C ILE A 103 -21.841 -23.582 -6.825 1.00
0.84 C
ATOM 744 O ILE A 103 -21.661 -23.042 -7.919 1.00
0.84 O
ATOM 745 CB ILE A 103 -23.588 -25.314 -6.588 1.00
0.84 C
ATOM 746 CG1 ILE A 103 -23.751 -25.523 -8.108 1.00
0.84 C
ATOM 747 CG2 ILE A 103 -24.851 -25.721 -5.797 1.00
0.84 C
ATOM 748 CD1 ILE A 103 -23.886 -26.989 -8.526 1.00
0.84 C
ATOM 749 N THR A 104 -20.797 -23.945 -6.079 1.00
0.85 N
ATOM 750 CA THR A 104 -19.433 -23.735 -6.529 1.00
0.85 C
ATOM 751 C THR A 104 -18.626 -24.876 -5.970 1.00
0.85 C
47
ATOM 752 O THR A 104 -19.138 -25.679 -5.176 1.00

0.85 O
ATOM 753 CB THR A 104 -18.888 -22.355 -6.132 1.00
0.85 C
ATOM 754 OG1 THR A 104 -17.556 -22.076 -6.534 1.00
0.85 O
ATOM 755 CG2 THR A 104 -18.923 -22.236 -4.621 1.00
0.85 C
ATOM 756 N LEU A 105 -17.359 -25.020 -6.364 1.00
0.83 N
ATOM 757 CA LEU A 105 -16.441 -26.001 -5.830 1.00
0.83 C
ATOM 758 C LEU A 105 -15.349 -25.283 -5.019 1.00
0.83 C
ATOM 759 O LEU A 105 -14.360 -25.890 -4.603 1.00
0.83 O
ATOM 760 CB LEU A 105 -15.847 -26.846 -6.992 1.00
0.83 C
ATOM 761 CG LEU A 105 -16.876 -27.583 -7.899 1.00
0.83 C
ATOM 762 CD1 LEU A 105 -16.182 -28.400 -9.002 1.00
0.83 C
ATOM 763 CD2 LEU A 105 -17.822 -28.515 -7.129 1.00
0.83 C
ATOM 764 N PHE A 106 -15.507 -23.965 -4.729 1.00
0.78 N
ATOM 765 CA PHE A 106 -14.536 -23.172 -3.989 1.00
0.78 C
ATOM 766 C PHE A 106 -15.221 -22.155 -3.084 1.00
0.78 C
ATOM 767 O PHE A 106 -16.230 -21.556 -3.488 1.00
0.78 O
ATOM 768 CB PHE A 106 -13.648 -22.377 -4.988 1.00
0.78 C
ATOM 769 CG PHE A 106 -12.581 -21.583 -4.277 1.00
0.78 C
ATOM 770 CD1 PHE A 106 -12.781 -20.229 -3.947 1.00
0.78 C
ATOM 771 CD2 PHE A 106 -11.432 -22.231 -3.810 1.00
0.78 C
ATOM 772 CE1 PHE A 106 -11.841 -19.539 -3.173 1.00
0.78 C
ATOM 773 CE2 PHE A 106 -10.478 -21.537 -3.057 1.00
0.78 C
ATOM 774 CZ PHE A 106 -10.679 -20.188 -2.743 1.00
0.78 C
48
ATOM 775 N GLY A 107 -14.716 -21.842 -1.872 1.00

0.77 N
ATOM 776 CA GLY A 107 -15.332 -20.813 -1.038 1.00
0.77 C
ATOM 777 C GLY A 107 -16.535 -21.250 -0.246 1.00
0.77 C
ATOM 778 O GLY A 107 -16.760 -22.435 0.001 1.00
0.77 O
ATOM 779 N ALA A 108 -17.332 -20.265 0.209 1.00
0.77 N
ATOM 780 CA ALA A 108 -18.442 -20.438 1.131 1.00
0.77 C
ATOM 781 C ALA A 108 -19.548 -21.365 0.627 1.00
0.77 C
ATOM 782 O ALA A 108 -20.057 -22.208 1.363 1.00
0.77 O
ATOM 783 CB ALA A 108 -19.015 -19.050 1.486 1.00
0.77 C
ATOM 784 N ASP A 109 -19.858 -21.269 -0.680 1.00
0.80 N
ATOM 785 CA ASP A 109 -20.923 -21.988 -1.333 1.00
0.80 C
ATOM 786 C ASP A 109 -20.401 -23.326 -1.864 1.00
0.80 C
ATOM 787 O ASP A 109 -21.081 -24.040 -2.610 1.00
0.80 O
ATOM 788 CB ASP A 109 -21.462 -21.099 -2.488 1.00
0.80 C
ATOM 789 CG ASP A 109 -21.997 -19.778 -1.947 1.00
0.80 C
ATOM 790 OD1 ASP A 109 -22.575 -19.809 -0.832 1.00
0.80 O
ATOM 791 OD2 ASP A 109 -21.833 -18.730 -2.618 1.00
0.80 O
ATOM 792 N SER A 110 -19.159 -23.721 -1.493 1.00
0.82 N
ATOM 793 CA SER A 110 -18.572 -24.996 -1.881 1.00
0.82 C
ATOM 794 C SER A 110 -19.384 -26.204 -1.453 1.00
0.82 C
ATOM 795 O SER A 110 -19.822 -26.349 -0.299 1.00
0.82 O
ATOM 796 CB SER A 110 -17.075 -25.160 -1.475 1.00
0.82 C
ATOM 797 OG SER A 110 -16.502 -26.390 -1.926 1.00
0.82 O
49
ATOM 798 N ILE A 111 -19.601 -27.106 -2.424 1.00

0.85 N
ATOM 799 CA ILE A 111 -20.337 -28.339 -2.252 1.00
0.85 C
ATOM 800 C ILE A 111 -19.400 -29.519 -2.054 1.00
0.85 C
ATOM 801 O ILE A 111 -19.846 -30.651 -1.861 1.00
0.85 O
ATOM 802 CB ILE A 111 -21.307 -28.587 -3.407 1.00
0.85 C
ATOM 803 CG1 ILE A 111 -20.590 -28.801 -4.763 1.00
0.85 C
ATOM 804 CG2 ILE A 111 -22.311 -27.408 -3.427 1.00
0.85 C
ATOM 805 CD1 ILE A 111 -21.531 -29.129 -5.929 1.00
0.85 C
ATOM 806 N ILE A 112 -18.067 -29.297 -2.040 1.00
0.84 N
ATOM 807 CA ILE A 112 -17.088 -30.340 -1.756 1.00
0.84 C
ATOM 808 C ILE A 112 -17.260 -30.876 -0.345 1.00
0.84 C
ATOM 809 O ILE A 112 -17.311 -30.129 0.633 1.00
0.84 O
ATOM 810 CB ILE A 112 -15.642 -29.882 -1.948 1.00
0.84 C
ATOM 811 CG1 ILE A 112 -15.389 -29.230 -3.331 1.00
0.84 C
ATOM 812 CG2 ILE A 112 -14.659 -31.053 -1.714 1.00
0.84 C
ATOM 813 CD1 ILE A 112 -15.689 -30.122 -4.537 1.00
0.84 C
ATOM 814 N GLY A 113 -17.385 -32.209 -0.201 1.00
0.84 N
ATOM 815 CA GLY A 113 -17.613 -32.832 1.090 1.00
0.84 C
ATOM 816 C GLY A 113 -19.038 -32.770 1.561 1.00
0.84 C
ATOM 817 O GLY A 113 -19.313 -33.105 2.709 1.00
0.84 O
ATOM 818 N ARG A 114 -19.980 -32.327 0.712 1.00
0.78 N
ATOM 819 CA ARG A 114 -21.400 -32.338 0.997 1.00
0.78 C
ATOM 820 C ARG A 114 -22.060 -33.488 0.249 1.00
0.78 C
50
ATOM 821 O ARG A 114 -21.376 -34.278 -0.395 1.00

0.78 O
ATOM 822 CB ARG A 114 -22.046 -30.983 0.643 1.00
0.78 C
ATOM 823 CG ARG A 114 -21.290 -29.798 1.265 1.00
0.78 C
ATOM 824 CD ARG A 114 -22.128 -28.529 1.327 1.00
0.78 C
ATOM 825 NE ARG A 114 -21.237 -27.488 1.911 1.00
0.78 N
ATOM 826 CZ ARG A 114 -21.181 -27.173 3.213 1.00
0.78 C
ATOM 827 NH1 ARG A 114 -21.825 -27.855 4.157 1.00
0.78 N
ATOM 828 NH2 ARG A 114 -20.468 -26.108 3.581 1.00
0.78 N
ATOM 829 N THR A 115 -23.398 -33.643 0.314 1.00
0.89 N
ATOM 830 CA THR A 115 -24.073 -34.828 -0.236 1.00
0.89 C
ATOM 831 C THR A 115 -25.081 -34.468 -1.303 1.00
0.89 C
ATOM 832 O THR A 115 -25.968 -33.641 -1.090 1.00
0.89 O
ATOM 833 CB THR A 115 -24.796 -35.640 0.834 1.00
0.89 C
ATOM 834 OG1 THR A 115 -23.879 -36.357 1.652 1.00
0.89 O
ATOM 835 CG2 THR A 115 -25.722 -36.739 0.298 1.00
0.89 C
ATOM 836 N VAL A 116 -25.013 -35.119 -2.481 1.00
0.91 N
ATOM 837 CA VAL A 116 -26.048 -35.083 -3.515 1.00
0.91 C
ATOM 838 C VAL A 116 -27.073 -36.107 -3.157 1.00
0.91 C
ATOM 839 O VAL A 116 -26.726 -37.253 -2.852 1.00
0.91 O
ATOM 840 CB VAL A 116 -25.526 -35.465 -4.890 1.00
0.91 C
ATOM 841 CG1 VAL A 116 -26.577 -35.690 -6.007 1.00
0.91 C
ATOM 842 CG2 VAL A 116 -24.597 -34.342 -5.323 1.00
0.91 C
ATOM 843 N VAL A 117 -28.348 -35.717 -3.165 1.00
0.91 N
51
ATOM 844 CA VAL A 117 -29.465 -36.576 -2.867 1.00

0.91 C
ATOM 845 C VAL A 117 -30.410 -36.600 -4.050 1.00
0.91 C
ATOM 846 O VAL A 117 -30.718 -35.564 -4.648 1.00
0.91 O
ATOM 847 CB VAL A 117 -30.222 -36.104 -1.635 1.00
0.91 C
ATOM 848 CG1 VAL A 117 -31.379 -37.062 -1.302 1.00
0.91 C
ATOM 849 CG2 VAL A 117 -29.259 -36.031 -0.434 1.00
0.91 C
ATOM 850 N VAL A 118 -30.898 -37.804 -4.393 1.00
0.90 N
ATOM 851 CA VAL A 118 -31.968 -38.046 -5.335 1.00
0.90 C
ATOM 852 C VAL A 118 -33.164 -38.450 -4.494 1.00
0.90 C
ATOM 853 O VAL A 118 -33.049 -39.250 -3.558 1.00
0.90 O
ATOM 854 CB VAL A 118 -31.633 -39.156 -6.330 1.00
0.90 C
ATOM 855 CG1 VAL A 118 -32.739 -39.281 -7.396 1.00
0.90 C
ATOM 856 CG2 VAL A 118 -30.290 -38.845 -7.021 1.00
0.90 C
ATOM 857 N HIS A 119 -34.340 -37.877 -4.776 1.00
0.85 N
ATOM 858 CA HIS A 119 -35.571 -38.124 -4.057 1.00
0.85 C
ATOM 859 C HIS A 119 -36.505 -38.993 -4.865 1.00
0.85 C
ATOM 860 O HIS A 119 -36.269 -39.176 -6.056 1.00
0.85 O
ATOM 861 CB HIS A 119 -36.257 -36.805 -3.734 1.00
0.85 C
ATOM 862 CG HIS A 119 -35.442 -36.045 -2.765 1.00
0.85 C
ATOM 863 ND1 HIS A 119 -35.745 -36.130 -1.430 1.00
0.85 N
ATOM 864 CD2 HIS A 119 -34.397 -35.204 -2.965 1.00
0.85 C
ATOM 865 CE1 HIS A 119 -34.898 -35.332 -0.830 1.00
0.85 C
ATOM 866 NE2 HIS A 119 -34.052 -34.740 -1.710 1.00
0.85 N
52
ATOM 867 N ALA A 120 -37.538 -39.578 -4.228 1.00

0.88 N
ATOM 868 CA ALA A 120 -38.548 -40.438 -4.823 1.00
0.88 C
ATOM 869 C ALA A 120 -39.595 -39.731 -5.664 1.00
0.88 C
ATOM 870 O ALA A 120 -40.068 -40.273 -6.664 1.00
0.88 O
ATOM 871 CB ALA A 120 -39.299 -41.213 -3.715 1.00
0.88 C
ATOM 872 N ASP A 121 -39.991 -38.520 -5.237 1.00
0.86 N
ATOM 873 CA ASP A 121 -41.058 -37.772 -5.836 1.00
0.86 C
ATOM 874 C ASP A 121 -40.498 -36.513 -6.451 1.00
0.86 C
ATOM 875 O ASP A 121 -39.336 -36.109 -6.286 1.00
0.86 O
ATOM 876 CB ASP A 121 -42.163 -37.394 -4.806 1.00
0.86 C
ATOM 877 CG ASP A 121 -42.775 -38.629 -4.159 1.00
0.86 C
ATOM 878 OD1 ASP A 121 -43.170 -39.547 -4.917 1.00
0.86 O
ATOM 879 OD2 ASP A 121 -42.882 -38.640 -2.906 1.00
0.86 O
ATOM 880 N ALA A 122 -41.355 -35.851 -7.235 1.00
0.90 N
ATOM 881 CA ALA A 122 -41.097 -34.550 -7.786 1.00
0.90 C
ATOM 882 C ALA A 122 -40.906 -33.504 -6.705 1.00
0.90 C
ATOM 883 O ALA A 122 -41.760 -33.326 -5.835 1.00
0.90 O
ATOM 884 CB ALA A 122 -42.240 -34.133 -8.741 1.00
0.90 C
ATOM 885 N ASP A 123 -39.795 -32.737 -6.757 1.00
0.89 N
ATOM 886 CA ASP A 123 -39.747 -31.396 -6.230 1.00
0.89 C
ATOM 887 C ASP A 123 -40.919 -30.579 -6.797 1.00
0.89 C
ATOM 888 O ASP A 123 -41.217 -30.728 -8.025 1.00
0.89 O
ATOM 889 CB ASP A 123 -38.348 -30.819 -6.589 1.00
0.89 C
53
ATOM 890 CG ASP A 123 -37.949 -29.626 -5.749 1.00

0.89 C
ATOM 891 OD1 ASP A 123 -36.732 -29.503 -5.474 1.00
0.89 O
ATOM 892 OD2 ASP A 123 -38.837 -28.830 -5.359 1.00
0.89 O
ATOM 893 N ASP A 124 -41.642 -29.795 -6.015 1.00
0.87 N
ATOM 894 CA ASP A 124 -42.725 -28.930 -6.421 1.00
0.87 C
ATOM 895 C ASP A 124 -42.243 -27.505 -6.563 1.00
0.87 C
ATOM 896 O ASP A 124 -43.020 -26.620 -6.951 1.00
0.87 O
ATOM 897 CB ASP A 124 -43.968 -29.053 -5.480 1.00
0.87 C
ATOM 898 CG ASP A 124 -43.869 -28.469 -4.066 1.00
0.87 C
ATOM 899 OD1 ASP A 124 -42.922 -27.704 -3.756 1.00
0.87 O
ATOM 900 OD2 ASP A 124 -44.834 -28.700 -3.291 1.00
0.87 O
ATOM 901 N LEU A 125 -40.953 -27.248 -6.259 1.00
0.88 N
ATOM 902 CA LEU A 125 -40.283 -26.003 -6.557 1.00
0.88 C
ATOM 903 C LEU A 125 -40.746 -24.942 -5.573 1.00
0.88 C
ATOM 904 O LEU A 125 -40.725 -23.745 -5.834 1.00
0.88 O
ATOM 905 CB LEU A 125 -40.423 -25.562 -8.047 1.00
0.88 C
ATOM 906 CG LEU A 125 -39.698 -26.422 -9.131 1.00
0.88 C
ATOM 907 CD1 LEU A 125 -40.041 -27.925 -9.207 1.00
0.88 C
ATOM 908 CD2 LEU A 125 -39.912 -25.788 -10.521 1.00
0.88 C
ATOM 909 N GLY A 126 -41.223 -25.352 -4.381 1.00
0.89 N
ATOM 910 CA GLY A 126 -41.618 -24.406 -3.354 1.00
0.89 C
ATOM 911 C GLY A 126 -42.988 -23.806 -3.603 1.00
0.89 C
ATOM 912 O GLY A 126 -43.372 -22.822 -2.959 1.00
0.89 O
54
ATOM 913 N GLN A 127 -43.778 -24.396 -4.526 1.00

0.83 N
ATOM 914 CA GLN A 127 -45.060 -23.878 -5.005 1.00
0.83 C
ATOM 915 C GLN A 127 -46.261 -24.646 -4.474 1.00
0.83 C
ATOM 916 O GLN A 127 -47.414 -24.257 -4.742 1.00
0.83 O
ATOM 917 CB GLN A 127 -45.104 -23.827 -6.551 1.00
0.83 C
ATOM 918 CG GLN A 127 -43.971 -22.973 -7.165 1.00
0.83 C
ATOM 919 CD GLN A 127 -44.028 -21.520 -6.693 1.00
0.83 C
ATOM 920 OE1 GLN A 127 -45.097 -20.946 -6.459 1.00
0.83 O
ATOM 921 NE2 GLN A 127 -42.845 -20.881 -6.545 1.00
0.83 N
ATOM 922 N GLY A 128 -46.071 -25.662 -3.604 1.00
0.87 N
ATOM 923 CA GLY A 128 -47.210 -26.312 -2.912 1.00
0.87 C
ATOM 924 C GLY A 128 -47.971 -25.567 -1.814 1.00
0.87 C
ATOM 925 O GLY A 128 -48.966 -26.060 -1.321 1.00
0.87 O
ATOM 926 N GLY A 129 -47.532 -24.357 -1.388 1.00
0.83 N
ATOM 927 CA GLY A 129 -48.275 -23.525 -0.413 1.00
0.83 C
ATOM 928 C GLY A 129 -48.434 -24.022 1.012 1.00
0.83 C
ATOM 929 O GLY A 129 -49.330 -23.577 1.721 1.00
0.83 O
ATOM 930 N HIS A 130 -47.531 -24.898 1.476 1.00
0.71 N
ATOM 931 CA HIS A 130 -47.529 -25.483 2.798 1.00
0.71 C
ATOM 932 C HIS A 130 -46.108 -25.522 3.268 1.00
0.71 C
ATOM 933 O HIS A 130 -45.184 -25.324 2.460 1.00
0.71 O
ATOM 934 CB HIS A 130 -48.020 -26.948 2.822 1.00
0.71 C
ATOM 935 CG HIS A 130 -49.437 -27.070 2.433 1.00
0.71 C
55
ATOM 936 ND1 HIS A 130 -50.390 -26.702 3.355 1.00

0.71 N
ATOM 937 CD2 HIS A 130 -50.014 -27.473 1.277 1.00
0.71 C
ATOM 938 CE1 HIS A 130 -51.536 -26.879 2.739 1.00
0.71 C
ATOM 939 NE2 HIS A 130 -51.371 -27.349 1.475 1.00
0.71 N
ATOM 940 N GLU A 131 -45.856 -25.799 4.547 1.00
0.77 N
ATOM 941 CA GLU A 131 -44.542 -25.757 5.178 1.00
0.77 C
ATOM 942 C GLU A 131 -43.517 -26.690 4.545 1.00
0.77 C
ATOM 943 O GLU A 131 -42.357 -26.367 4.338 1.00
0.77 O
ATOM 944 CB GLU A 131 -44.674 -26.049 6.701 1.00
0.77 C
ATOM 945 CG GLU A 131 -43.613 -25.345 7.581 1.00
0.77 C
ATOM 946 CD GLU A 131 -43.601 -23.851 7.274 1.00
0.77 C
ATOM 947 OE1 GLU A 131 -44.711 -23.267 7.170 1.00
0.77 O
ATOM 948 OE2 GLU A 131 -42.487 -23.314 7.094 1.00
0.77 O
ATOM 949 N LEU A 132 -43.978 -27.894 4.152 1.00
0.88 N
ATOM 950 CA LEU A 132 -43.171 -28.901 3.486 1.00
0.88 C
ATOM 951 C LEU A 132 -42.614 -28.477 2.145 1.00
0.88 C
ATOM 952 O LEU A 132 -41.477 -28.758 1.775 1.00
0.88 O
ATOM 953 CB LEU A 132 -44.021 -30.171 3.302 1.00
0.88 C
ATOM 954 CG LEU A 132 -43.215 -31.481 3.254 1.00
0.88 C
ATOM 955 CD1 LEU A 132 -42.141 -31.579 4.352 1.00
0.88 C
ATOM 956 CD2 LEU A 132 -44.184 -32.659 3.385 1.00
0.88 C
ATOM 957 N SER A 133 -43.412 -27.715 1.394 1.00
0.87 N
ATOM 958 CA SER A 133 -43.031 -27.071 0.152 1.00
0.87 C
56
ATOM 959 C SER A 133 -41.866 -26.107 0.349 1.00

0.87 C
ATOM 960 O SER A 133 -40.927 -26.088 -0.434 1.00
0.87 O
ATOM 961 CB SER A 133 -44.285 -26.357 -0.415 1.00
0.87 C
ATOM 962 OG SER A 133 -44.098 -25.386 -1.430 1.00
0.87 O
ATOM 963 N LYS A 134 -41.845 -25.332 1.456 1.00
0.84 N
ATOM 964 CA LYS A 134 -40.830 -24.312 1.668 1.00
0.84 C
ATOM 965 C LYS A 134 -39.560 -24.873 2.277 1.00
0.84 C
ATOM 966 O LYS A 134 -38.543 -24.196 2.366 1.00
0.84 O
ATOM 967 CB LYS A 134 -41.382 -23.171 2.552 1.00
0.84 C
ATOM 968 CG LYS A 134 -42.756 -22.639 2.099 1.00
0.84 C
ATOM 969 CD LYS A 134 -42.838 -22.257 0.610 1.00
0.84 C
ATOM 970 CE LYS A 134 -44.268 -22.046 0.109 1.00
0.84 C
ATOM 971 NZ LYS A 134 -44.208 -21.165 -1.073 1.00
0.84 N
ATOM 972 N SER A 135 -39.564 -26.173 2.627 1.00
0.88 N
ATOM 973 CA SER A 135 -38.399 -26.816 3.206 1.00
0.88 C
ATOM 974 C SER A 135 -37.843 -27.968 2.388 1.00
0.88 C
ATOM 975 O SER A 135 -36.621 -28.143 2.338 1.00
0.88 O
ATOM 976 CB SER A 135 -38.747 -27.338 4.620 1.00
0.88 C
ATOM 977 OG SER A 135 -39.736 -28.379 4.615 1.00
0.88 O
ATOM 978 N THR A 136 -38.694 -28.793 1.745 1.00
0.89 N
ATOM 979 CA THR A 136 -38.280 -29.978 1.002 1.00
0.89 C
ATOM 980 C THR A 136 -38.716 -29.981 -0.449 1.00
0.89 C
ATOM 981 O THR A 136 -38.293 -30.848 -1.216 1.00
0.89 O
57
ATOM 982 CB THR A 136 -38.844 -31.287 1.593 1.00

0.89 C
ATOM 983 OG1 THR A 136 -40.257 -31.423 1.487 1.00
0.89 O
ATOM 984 CG2 THR A 136 -38.543 -31.371 3.095 1.00
0.89 C
ATOM 985 N GLY A 137 -39.636 -29.068 -0.834 1.00
0.90 N
ATOM 986 CA GLY A 137 -40.321 -29.078 -2.127 1.00
0.90 C
ATOM 987 C GLY A 137 -41.242 -30.245 -2.303 1.00
0.90 C
ATOM 988 O GLY A 137 -41.558 -30.654 -3.405 1.00
0.90 O
ATOM 989 N ASN A 138 -41.637 -30.877 -1.185 1.00
0.87 N
ATOM 990 CA ASN A 138 -42.469 -32.061 -1.159 1.00
0.87 C
ATOM 991 C ASN A 138 -41.885 -33.263 -1.911 1.00
0.87 C
ATOM 992 O ASN A 138 -42.621 -34.154 -2.329 1.00
0.87 O
ATOM 993 CB ASN A 138 -43.940 -31.752 -1.556 1.00
0.87 C
ATOM 994 CG ASN A 138 -44.923 -32.322 -0.543 1.00
0.87 C
ATOM 995 OD1 ASN A 138 -45.412 -31.615 0.339 1.00
0.87 O
ATOM 996 ND2 ASN A 138 -45.219 -33.639 -0.633 1.00
0.87 N
ATOM 997 N ALA A 139 -40.535 -33.354 -2.014 1.00
0.89 N
ATOM 998 CA ALA A 139 -39.842 -34.317 -2.854 1.00
0.89 C
ATOM 999 C ALA A 139 -39.837 -35.735 -2.290 1.00
0.89 C
ATOM 1000 O ALA A 139 -39.457 -36.701 -2.948 1.00
0.89 O
ATOM 1001 CB ALA A 139 -38.399 -33.829 -3.111 1.00
0.89 C
ATOM 1002 N GLY A 140 -40.298 -35.884 -1.037 1.00
0.87 N
ATOM 1003 CA GLY A 140 -40.484 -37.168 -0.391 1.00
0.87 C
ATOM 1004 C GLY A 140 -39.233 -37.831 0.110 1.00
0.87 C
58
ATOM 1005 O GLY A 140 -38.332 -37.193 0.674 1.00

0.87 O
ATOM 1006 N ALA A 141 -39.197 -39.166 0.021 1.00
0.88 N
ATOM 1007 CA ALA A 141 -38.097 -39.990 0.471 1.00
0.88 C
ATOM 1008 C ALA A 141 -36.810 -39.821 -0.327 1.00
0.88 C
ATOM 1009 O ALA A 141 -36.826 -39.603 -1.532 1.00
0.88 O
ATOM 1010 CB ALA A 141 -38.501 -41.476 0.506 1.00
0.88 C
ATOM 1011 N ARG A 142 -35.651 -39.964 0.342 1.00
0.81 N
ATOM 1012 CA ARG A 142 -34.344 -39.878 -0.269 1.00
0.81 C
ATOM 1013 C ARG A 142 -33.947 -41.278 -0.711 1.00
0.81 C
ATOM 1014 O ARG A 142 -33.684 -42.130 0.134 1.00
0.81 O
ATOM 1015 CB ARG A 142 -33.313 -39.369 0.775 1.00
0.81 C
ATOM 1016 CG ARG A 142 -33.784 -38.125 1.554 1.00
0.81 C
ATOM 1017 CD ARG A 142 -32.738 -37.582 2.532 1.00
0.81 C
ATOM 1018 NE ARG A 142 -33.379 -36.419 3.215 1.00
0.81 N
ATOM 1019 CZ ARG A 142 -32.703 -35.583 4.032 1.00
0.81 C
ATOM 1020 NH1 ARG A 142 -31.446 -35.765 4.390 1.00
0.81 N
ATOM 1021 NH2 ARG A 142 -33.272 -34.471 4.483 1.00
0.81 N
ATOM 1022 N ILE A 143 -33.912 -41.548 -2.031 1.00
0.85 N
ATOM 1023 CA ILE A 143 -33.774 -42.894 -2.572 1.00
0.85 C
ATOM 1024 C ILE A 143 -32.340 -43.207 -2.914 1.00
0.85 C
ATOM 1025 O ILE A 143 -31.943 -44.353 -3.099 1.00
0.85 O
ATOM 1026 CB ILE A 143 -34.635 -43.075 -3.823 1.00
0.85 C
ATOM 1027 CG1 ILE A 143 -34.168 -42.243 -5.051 1.00
0.85 C
59
ATOM 1028 CG2 ILE A 143 -36.091 -42.768 -3.415 1.00

0.85 C
ATOM 1029 CD1 ILE A 143 -34.965 -42.530 -6.330 1.00
0.85 C
ATOM 1030 N GLY A 144 -31.475 -42.187 -2.980 1.00
0.89 N
ATOM 1031 CA GLY A 144 -30.083 -42.444 -3.244 1.00
0.89 C
ATOM 1032 C GLY A 144 -29.288 -41.222 -2.973 1.00
0.89 C
ATOM 1033 O GLY A 144 -29.771 -40.094 -3.126 1.00
0.89 O
ATOM 1034 N CYS A 145 -28.036 -41.402 -2.553 1.00
0.88 N
ATOM 1035 CA CYS A 145 -27.196 -40.275 -2.240 1.00
0.88 C
ATOM 1036 C CYS A 145 -25.724 -40.632 -2.284 1.00
0.88 C
ATOM 1037 O CYS A 145 -25.341 -41.801 -2.323 1.00
0.88 O
ATOM 1038 CB CYS A 145 -27.548 -39.662 -0.855 1.00
0.88 C
ATOM 1039 SG CYS A 145 -27.431 -40.833 0.530 1.00
0.88 S
ATOM 1040 N GLY A 146 -24.842 -39.619 -2.292 1.00
0.86 N
ATOM 1041 CA GLY A 146 -23.412 -39.849 -2.191 1.00
0.86 C
ATOM 1042 C GLY A 146 -22.717 -38.571 -1.831 1.00
0.86 C
ATOM 1043 O GLY A 146 -23.214 -37.476 -2.116 1.00
0.86 O
ATOM 1044 N VAL A 147 -21.544 -38.674 -1.186 1.00
0.84 N
ATOM 1045 CA VAL A 147 -20.704 -37.538 -0.846 1.00
0.84 C
ATOM 1046 C VAL A 147 -20.027 -37.019 -2.103 1.00
0.84 C
ATOM 1047 O VAL A 147 -19.529 -37.796 -2.920 1.00
0.84 O
ATOM 1048 CB VAL A 147 -19.643 -37.877 0.202 1.00
0.84 C
ATOM 1049 CG1 VAL A 147 -18.891 -36.613 0.678 1.00
0.84 C
ATOM 1050 CG2 VAL A 147 -20.300 -38.554 1.419 1.00
0.84 C
60
ATOM 1051 N ILE A 148 -19.997 -35.692 -2.292 1.00

0.85 N
ATOM 1052 CA ILE A 148 -19.327 -35.037 -3.394 1.00
0.85 C
ATOM 1053 C ILE A 148 -17.857 -34.911 -3.068 1.00
0.85 C
ATOM 1054 O ILE A 148 -17.452 -34.207 -2.140 1.00
0.85 O
ATOM 1055 CB ILE A 148 -19.884 -33.647 -3.651 1.00
0.85 C
ATOM 1056 CG1 ILE A 148 -21.400 -33.700 -3.894 1.00
0.85 C
ATOM 1057 CG2 ILE A 148 -19.168 -32.981 -4.851 1.00
0.85 C
ATOM 1058 CD1 ILE A 148 -22.011 -32.298 -3.848 1.00
0.85 C
ATOM 1059 N GLY A 149 -17.012 -35.607 -3.836 1.00
0.84 N
ATOM 1060 CA GLY A 149 -15.585 -35.639 -3.624 1.00
0.84 C
ATOM 1061 C GLY A 149 -14.846 -35.011 -4.761 1.00
0.84 C
ATOM 1062 O GLY A 149 -15.361 -34.909 -5.875 1.00
0.84 O
ATOM 1063 N ILE A 150 -13.593 -34.589 -4.523 1.00
0.76 N
ATOM 1064 CA ILE A 150 -12.653 -34.104 -5.526 1.00
0.76 C
ATOM 1065 C ILE A 150 -12.367 -35.213 -6.514 1.00
0.76 C
ATOM 1066 O ILE A 150 -12.130 -36.351 -6.105 1.00
0.76 O
ATOM 1067 CB ILE A 150 -11.357 -33.608 -4.884 1.00
0.76 C
ATOM 1068 CG1 ILE A 150 -11.674 -32.329 -4.078 1.00
0.76 C
ATOM 1069 CG2 ILE A 150 -10.255 -33.353 -5.945 1.00
0.76 C
ATOM 1070 CD1 ILE A 150 -10.505 -31.842 -3.222 1.00
0.76 C
ATOM 1071 N ALA A 151 -12.376 -34.930 -7.822 1.00
0.79 N
ATOM 1072 CA ALA A 151 -12.180 -35.921 -8.842 1.00
0.79 C
ATOM 1073 C ALA A 151 -10.924 -35.556 -9.594 1.00
0.79 C
61
ATOM 1074 O ALA A 151 -10.318 -34.514 -9.353 1.00

0.79 O
ATOM 1075 CB ALA A 151 -13.398 -35.939 -9.787 1.00
0.79 C
ATOM 1076 N LYS A 152 -10.461 -36.446 -10.478 1.00
0.60 N
ATOM 1077 CA LYS A 152 -9.315 -36.213 -11.330 1.00
0.60 C
ATOM 1078 C LYS A 152 -9.481 -35.120 -12.392 1.00
0.60 C
ATOM 1079 O LYS A 152 -10.412 -35.206 -13.211 1.00
0.60 O
ATOM 1080 CB LYS A 152 -8.968 -37.567 -11.994 1.00
0.60 C
ATOM 1081 CG LYS A 152 -7.672 -37.572 -12.821 1.00
0.60 C
ATOM 1082 CD LYS A 152 -7.121 -38.976 -13.110 1.00
0.60 C
ATOM 1083 CE LYS A 152 -6.505 -39.613 -11.866 1.00
0.60 C
ATOM 1084 NZ LYS A 152 -6.143 -41.020 -12.128 1.00
0.60 N
ATOM 1085 N VAL A 153 -8.538 -34.145 -12.417 1.00
0.78 N
ATOM 1086 CA VAL A 153 -8.501 -32.967 -13.286 1.00
0.78 C
ATOM 1087 C VAL A 153 -9.340 -31.796 -12.659 1.00
0.78 C
ATOM 1088 O VAL A 153 -9.900 -31.983 -11.548 1.00
0.78 O
ATOM 1089 CB VAL A 153 -8.633 -33.303 -14.791 1.00
0.78 C
ATOM 1090 CG1 VAL A 153 -8.435 -32.090 -15.719 1.00
0.78 C
ATOM 1091 CG2 VAL A 153 -7.550 -34.345 -15.165 1.00
0.78 C
ATOM 1092 OXT VAL A 153 -9.344 -30.669 -13.227 1.00
0.78 O
TER 1093 VAL A 153
ATOM 1094 N MET B 1 -13.317 -21.223 13.029 1.00
0.69 N
ATOM 1095 CA MET B 1 -14.192 -22.050 13.914 1.00
0.69 C
ATOM 1096 C MET B 1 -13.919 -23.517 13.830 1.00
0.69 C
ATOM 1097 O MET B 1 -13.263 -23.962 12.888 1.00
0.69 O
62
ATOM 1098 CB MET B 1 -15.694 -21.692 13.726 1.00

0.69 C
ATOM 1099 CG MET B 1 -16.139 -20.453 14.535 1.00
0.69 C
ATOM 1100 SD MET B 1 -16.045 -20.696 16.349 1.00
0.69 S
ATOM 1101 CE MET B 1 -14.468 -19.914 16.846 1.00
0.69 C
ATOM 1102 N VAL B 2 -14.383 -24.245 14.868 1.00
0.76 N
ATOM 1103 CA VAL B 2 -14.282 -25.678 15.063 1.00
0.76 C
ATOM 1104 C VAL B 2 -14.933 -26.387 13.893 1.00
0.76 C
ATOM 1105 O VAL B 2 -16.001 -25.985 13.421 1.00
0.76 O
ATOM 1106 CB VAL B 2 -14.910 -26.085 16.404 1.00
0.76 C
ATOM 1107 CG1 VAL B 2 -14.843 -27.613 16.619 1.00
0.76 C
ATOM 1108 CG2 VAL B 2 -14.175 -25.348 17.549 1.00
0.76 C
ATOM 1109 N VAL B 3 -14.283 -27.422 13.360 1.00
0.82 N
ATOM 1110 CA VAL B 3 -14.732 -28.110 12.171 1.00
0.82 C
ATOM 1111 C VAL B 3 -14.713 -29.590 12.455 1.00
0.82 C
ATOM 1112 O VAL B 3 -13.922 -30.099 13.256 1.00
0.82 O
ATOM 1113 CB VAL B 3 -13.879 -27.733 10.954 1.00
0.82 C
ATOM 1114 CG1 VAL B 3 -12.404 -27.829 11.361 1.00
0.82 C
ATOM 1115 CG2 VAL B 3 -14.176 -28.557 9.679 1.00
0.82 C
ATOM 1116 N LYS B 4 -15.636 -30.315 11.803 1.00
0.79 N
ATOM 1117 CA LYS B 4 -15.822 -31.724 11.970 1.00
0.79 C
ATOM 1118 C LYS B 4 -16.087 -32.346 10.617 1.00
0.79 C
ATOM 1119 O LYS B 4 -16.748 -31.768 9.751 1.00
0.79 O
ATOM 1120 CB LYS B 4 -16.998 -32.012 12.924 1.00
0.79 C
63
ATOM 1121 CG LYS B 4 -17.014 -33.456 13.442 1.00

0.79 C
ATOM 1122 CD LYS B 4 -18.078 -33.606 14.536 1.00
0.79 C
ATOM 1123 CE LYS B 4 -18.350 -35.022 15.030 1.00
0.79 C
ATOM 1124 NZ LYS B 4 -17.150 -35.568 15.640 1.00
0.79 N
ATOM 1125 N ALA B 5 -15.551 -33.556 10.404 1.00
0.88 N
ATOM 1126 CA ALA B 5 -15.786 -34.338 9.222 1.00
0.88 C
ATOM 1127 C ALA B 5 -15.976 -35.778 9.635 1.00
0.88 C
ATOM 1128 O ALA B 5 -15.683 -36.166 10.772 1.00
0.88 O
ATOM 1129 CB ALA B 5 -14.647 -34.170 8.189 1.00
0.88 C
ATOM 1130 N VAL B 6 -16.513 -36.592 8.717 1.00
0.87 N
ATOM 1131 CA VAL B 6 -16.787 -37.995 8.924 1.00
0.87 C
ATOM 1132 C VAL B 6 -16.526 -38.738 7.636 1.00
0.87 C
ATOM 1133 O VAL B 6 -16.591 -38.184 6.536 1.00
0.87 O
ATOM 1134 CB VAL B 6 -18.213 -38.229 9.435 1.00
0.87 C
ATOM 1135 CG1 VAL B 6 -19.284 -37.840 8.395 1.00
0.87 C
ATOM 1136 CG2 VAL B 6 -18.432 -39.663 9.969 1.00
0.87 C
ATOM 1137 N CYS B 7 -16.169 -40.021 7.754 1.00
0.87 N
ATOM 1138 CA CYS B 7 -16.056 -40.957 6.669 1.00
0.87 C
ATOM 1139 C CYS B 7 -16.668 -42.269 7.119 1.00
0.87 C
ATOM 1140 O CYS B 7 -16.406 -42.752 8.225 1.00
0.87 O
ATOM 1141 CB CYS B 7 -14.565 -41.164 6.302 1.00
0.87 C
ATOM 1142 SG CYS B 7 -14.256 -42.418 5.033 1.00
0.87 S
ATOM 1143 N VAL B 8 -17.497 -42.878 6.257 1.00
0.86 N
64
ATOM 1144 CA VAL B 8 -18.035 -44.210 6.441 1.00

0.86 C
ATOM 1145 C VAL B 8 -17.307 -45.135 5.491 1.00
0.86 C
ATOM 1146 O VAL B 8 -17.350 -44.979 4.267 1.00
0.86 O
ATOM 1147 CB VAL B 8 -19.529 -44.269 6.184 1.00
0.86 C
ATOM 1148 CG1 VAL B 8 -20.070 -45.708 6.332 1.00
0.86 C
ATOM 1149 CG2 VAL B 8 -20.226 -43.334 7.193 1.00
0.86 C
ATOM 1150 N ILE B 9 -16.594 -46.116 6.059 1.00
0.85 N
ATOM 1151 CA ILE B 9 -15.802 -47.104 5.358 1.00
0.85 C
ATOM 1152 C ILE B 9 -16.719 -48.231 4.918 1.00
0.85 C
ATOM 1153 O ILE B 9 -17.428 -48.822 5.735 1.00
0.85 O
ATOM 1154 CB ILE B 9 -14.676 -47.641 6.242 1.00
0.85 C
ATOM 1155 CG1 ILE B 9 -13.667 -46.505 6.537 1.00
0.85 C
ATOM 1156 CG2 ILE B 9 -13.992 -48.870 5.593 1.00
0.85 C
ATOM 1157 CD1 ILE B 9 -12.649 -46.886 7.615 1.00
0.85 C
ATOM 1158 N ASN B 10 -16.721 -48.556 3.609 1.00
0.80 N
ATOM 1159 CA ASN B 10 -17.439 -49.682 3.044 1.00
0.80 C
ATOM 1160 C ASN B 10 -16.457 -50.546 2.273 1.00
0.80 C
ATOM 1161 O ASN B 10 -15.476 -50.032 1.730 1.00
0.80 O
ATOM 1162 CB ASN B 10 -18.533 -49.220 2.053 1.00
0.80 C
ATOM 1163 CG ASN B 10 -19.588 -48.436 2.815 1.00
0.80 C
ATOM 1164 OD1 ASN B 10 -20.386 -49.039 3.545 1.00
0.80 O
ATOM 1165 ND2 ASN B 10 -19.624 -47.095 2.649 1.00
0.80 N
ATOM 1166 N GLY B 11 -16.698 -51.872 2.194 1.00
0.85 N
65
ATOM 1167 CA GLY B 11 -15.861 -52.825 1.478 1.00

0.85 C
ATOM 1168 C GLY B 11 -15.881 -54.127 2.232 1.00
0.85 C
ATOM 1169 O GLY B 11 -16.925 -54.483 2.796 1.00
0.85 O
ATOM 1170 N ASP B 12 -14.737 -54.838 2.279 1.00
0.74 N
ATOM 1171 CA ASP B 12 -14.467 -56.096 2.967 1.00
0.74 C
ATOM 1172 C ASP B 12 -14.622 -55.933 4.480 1.00
0.74 C
ATOM 1173 O ASP B 12 -15.041 -56.834 5.209 1.00
0.74 O
ATOM 1174 CB ASP B 12 -13.013 -56.582 2.668 1.00
0.74 C
ATOM 1175 CG ASP B 12 -12.682 -56.789 1.192 1.00
0.74 C
ATOM 1176 OD1 ASP B 12 -13.601 -56.753 0.339 1.00
0.74 O
ATOM 1177 OD2 ASP B 12 -11.469 -56.986 0.918 1.00
0.74 O
ATOM 1178 N ALA B 13 -14.289 -54.727 4.973 1.00
0.84 N
ATOM 1179 CA ALA B 13 -14.457 -54.314 6.342 1.00
0.84 C
ATOM 1180 C ALA B 13 -15.204 -52.992 6.334 1.00
0.84 C
ATOM 1181 O ALA B 13 -15.337 -52.327 5.303 1.00
0.84 O
ATOM 1182 CB ALA B 13 -13.098 -54.186 7.077 1.00
0.84 C
ATOM 1183 N LYS B 14 -15.756 -52.595 7.494 1.00
0.79 N
ATOM 1184 CA LYS B 14 -16.602 -51.427 7.613 1.00
0.79 C
ATOM 1185 C LYS B 14 -16.190 -50.643 8.822 1.00
0.79 C
ATOM 1186 O LYS B 14 -15.449 -51.132 9.680 1.00
0.79 O
ATOM 1187 CB LYS B 14 -18.102 -51.777 7.761 1.00
0.79 C
ATOM 1188 CG LYS B 14 -18.645 -52.494 6.526 1.00
0.79 C
ATOM 1189 CD LYS B 14 -20.149 -52.745 6.651 1.00
0.79 C
66
ATOM 1190 CE LYS B 14 -20.718 -53.458 5.428 1.00

0.79 C
ATOM 1191 NZ LYS B 14 -22.173 -53.656 5.596 1.00
0.79 N
ATOM 1192 N GLY B 15 -16.654 -49.395 8.940 1.00
0.87 N
ATOM 1193 CA GLY B 15 -16.325 -48.596 10.095 1.00
0.87 C
ATOM 1194 C GLY B 15 -16.684 -47.170 9.860 1.00
0.87 C
ATOM 1195 O GLY B 15 -16.973 -46.762 8.733 1.00
0.87 O
ATOM 1196 N THR B 16 -16.662 -46.368 10.925 1.00
0.87 N
ATOM 1197 CA THR B 16 -16.994 -44.952 10.884 1.00
0.87 C
ATOM 1198 C THR B 16 -15.824 -44.241 11.497 1.00
0.87 C
ATOM 1199 O THR B 16 -15.396 -44.573 12.607 1.00
0.87 O
ATOM 1200 CB THR B 16 -18.260 -44.562 11.644 1.00
0.87 C
ATOM 1201 OG1 THR B 16 -19.402 -45.136 11.026 1.00
0.87 O
ATOM 1202 CG2 THR B 16 -18.512 -43.045 11.621 1.00
0.87 C
ATOM 1203 N VAL B 17 -15.258 -43.259 10.781 1.00
0.89 N
ATOM 1204 CA VAL B 17 -14.117 -42.477 11.213 1.00
0.89 C
ATOM 1205 C VAL B 17 -14.535 -41.017 11.255 1.00
0.89 C
ATOM 1206 O VAL B 17 -15.092 -40.485 10.288 1.00
0.89 O
ATOM 1207 CB VAL B 17 -12.906 -42.679 10.303 1.00
0.89 C
ATOM 1208 CG1 VAL B 17 -11.715 -41.823 10.776 1.00
0.89 C
ATOM 1209 CG2 VAL B 17 -12.509 -44.171 10.330 1.00
0.89 C
ATOM 1210 N PHE B 18 -14.298 -40.329 12.382 1.00
0.88 N
ATOM 1211 CA PHE B 18 -14.584 -38.928 12.611 1.00
0.88 C
ATOM 1212 C PHE B 18 -13.280 -38.171 12.632 1.00
0.88 C
67
ATOM 1213 O PHE B 18 -12.244 -38.697 13.038 1.00

0.88 O
ATOM 1214 CB PHE B 18 -15.268 -38.666 13.976 1.00
0.88 C
ATOM 1215 CG PHE B 18 -16.673 -39.164 13.931 1.00
0.88 C
ATOM 1216 CD1 PHE B 18 -17.015 -40.410 14.475 1.00
0.88 C
ATOM 1217 CD2 PHE B 18 -17.660 -38.405 13.289 1.00
0.88 C
ATOM 1218 CE1 PHE B 18 -18.331 -40.881 14.397 1.00
0.88 C
ATOM 1219 CE2 PHE B 18 -18.979 -38.866 13.222 1.00
0.88 C
ATOM 1220 CZ PHE B 18 -19.317 -40.103 13.779 1.00
0.88 C
ATOM 1221 N PHE B 19 -13.319 -36.904 12.194 1.00
0.88 N
ATOM 1222 CA PHE B 19 -12.200 -35.994 12.168 1.00
0.88 C
ATOM 1223 C PHE B 19 -12.648 -34.737 12.887 1.00
0.88 C
ATOM 1224 O PHE B 19 -13.720 -34.207 12.575 1.00
0.88 O
ATOM 1225 CB PHE B 19 -11.833 -35.585 10.719 1.00
0.88 C
ATOM 1226 CG PHE B 19 -11.471 -36.774 9.882 1.00
0.88 C
ATOM 1227 CD1 PHE B 19 -12.454 -37.567 9.265 1.00
0.88 C
ATOM 1228 CD2 PHE B 19 -10.126 -37.111 9.703 1.00
0.88 C
ATOM 1229 CE1 PHE B 19 -12.097 -38.691 8.514 1.00
0.88 C
ATOM 1230 CE2 PHE B 19 -9.760 -38.228 8.947 1.00
0.88 C
ATOM 1231 CZ PHE B 19 -10.747 -39.023 8.360 1.00
0.88 C
ATOM 1232 N GLU B 20 -11.875 -34.234 13.863 1.00
0.82 N
ATOM 1233 CA GLU B 20 -12.158 -33.012 14.593 1.00
0.82 C
ATOM 1234 C GLU B 20 -10.961 -32.095 14.551 1.00
0.82 C
ATOM 1235 O GLU B 20 -9.825 -32.526 14.759 1.00
0.82 O
68
ATOM 1236 CB GLU B 20 -12.530 -33.313 16.064 1.00

0.82 C
ATOM 1237 CG GLU B 20 -13.830 -34.150 16.087 1.00
0.82 C
ATOM 1238 CD GLU B 20 -14.367 -34.585 17.449 1.00
0.82 C
ATOM 1239 OE1 GLU B 20 -15.568 -34.928 17.464 1.00
0.82 O
ATOM 1240 OE2 GLU B 20 -13.606 -34.644 18.443 1.00
0.82 O
ATOM 1241 N GLN B 21 -11.169 -30.796 14.271 1.00
0.82 N
ATOM 1242 CA GLN B 21 -10.103 -29.821 14.325 1.00
0.82 C
ATOM 1243 C GLN B 21 -10.663 -28.562 14.969 1.00
0.82 C
ATOM 1244 O GLN B 21 -11.690 -28.032 14.539 1.00
0.82 O
ATOM 1245 CB GLN B 21 -9.578 -29.527 12.894 1.00
0.82 C
ATOM 1246 CG GLN B 21 -8.220 -28.802 12.796 1.00
0.82 C
ATOM 1247 CD GLN B 21 -7.918 -28.389 11.352 1.00
0.82 C
ATOM 1248 OE1 GLN B 21 -8.732 -28.526 10.426 1.00
0.82 O
ATOM 1249 NE2 GLN B 21 -6.702 -27.862 11.112 1.00
0.82 N
ATOM 1250 N GLU B 22 -10.046 -28.067 16.059 1.00
0.75 N
ATOM 1251 CA GLU B 22 -10.515 -26.885 16.769 1.00
0.75 C
ATOM 1252 C GLU B 22 -10.323 -25.552 16.045 1.00
0.75 C
ATOM 1253 O GLU B 22 -11.199 -24.685 16.017 1.00
0.75 O
ATOM 1254 CB GLU B 22 -9.860 -26.836 18.157 1.00
0.75 C
ATOM 1255 CG GLU B 22 -10.350 -25.677 19.052 1.00
0.75 C
ATOM 1256 CD GLU B 22 -9.676 -25.723 20.419 1.00
0.75 C
ATOM 1257 OE1 GLU B 22 -8.857 -26.653 20.640 1.00
0.75 O
ATOM 1258 OE2 GLU B 22 -9.966 -24.814 21.234 1.00
0.75 O
69
ATOM 1259 N SER B 23 -9.154 -25.357 15.420 1.00

0.75 N
ATOM 1260 CA SER B 23 -8.784 -24.138 14.748 1.00
0.75 C
ATOM 1261 C SER B 23 -8.117 -24.563 13.469 1.00
0.75 C
ATOM 1262 O SER B 23 -7.632 -25.687 13.356 1.00
0.75 O
ATOM 1263 CB SER B 23 -7.759 -23.317 15.580 1.00
0.75 C
ATOM 1264 OG SER B 23 -7.343 -22.113 14.925 1.00
0.75 O
ATOM 1265 N SER B 24 -8.017 -23.672 12.479 1.00
0.74 N
ATOM 1266 CA SER B 24 -7.370 -23.893 11.190 1.00
0.74 C
ATOM 1267 C SER B 24 -5.877 -24.200 11.294 1.00
0.74 C
ATOM 1268 O SER B 24 -5.306 -24.833 10.408 1.00
0.74 O
ATOM 1269 CB SER B 24 -7.563 -22.640 10.298 1.00
0.74 C
ATOM 1270 OG SER B 24 -7.086 -21.457 10.952 1.00
0.74 O
ATOM 1271 N GLY B 25 -5.232 -23.750 12.394 1.00
0.79 N
ATOM 1272 CA GLY B 25 -3.847 -24.053 12.748 1.00
0.79 C
ATOM 1273 C GLY B 25 -3.635 -25.202 13.720 1.00
0.79 C
ATOM 1274 O GLY B 25 -2.488 -25.522 14.033 1.00
0.79 O
ATOM 1275 N THR B 26 -4.692 -25.847 14.270 1.00
0.82 N
ATOM 1276 CA THR B 26 -4.513 -26.955 15.226 1.00
0.82 C
ATOM 1277 C THR B 26 -4.415 -28.271 14.479 1.00
0.82 C
ATOM 1278 O THR B 26 -4.922 -28.346 13.360 1.00
0.82 O
ATOM 1279 CB THR B 26 -5.525 -27.082 16.385 1.00
0.82 C
ATOM 1280 OG1 THR B 26 -6.903 -27.090 16.040 1.00
0.82 O
ATOM 1281 CG2 THR B 26 -5.310 -25.911 17.349 1.00
0.82 C
70
ATOM 1282 N PRO B 27 -3.765 -29.331 14.979 1.00

0.85 N
ATOM 1283 CA PRO B 27 -3.862 -30.668 14.399 1.00
0.85 C
ATOM 1284 C PRO B 27 -5.276 -31.220 14.278 1.00
0.85 C
ATOM 1285 O PRO B 27 -6.185 -30.768 14.979 1.00
0.85 O
ATOM 1286 CB PRO B 27 -3.019 -31.560 15.341 1.00
0.85 C
ATOM 1287 CG PRO B 27 -2.215 -30.603 16.227 1.00
0.85 C
ATOM 1288 CD PRO B 27 -3.119 -29.382 16.291 1.00
0.85 C
ATOM 1289 N VAL B 28 -5.468 -32.233 13.422 1.00
0.88 N
ATOM 1290 CA VAL B 28 -6.721 -32.940 13.276 1.00
0.88 C
ATOM 1291 C VAL B 28 -6.671 -34.158 14.167 1.00
0.88 C
ATOM 1292 O VAL B 28 -5.730 -34.956 14.110 1.00
0.88 O
ATOM 1293 CB VAL B 28 -6.950 -33.389 11.842 1.00
0.88 C
ATOM 1294 CG1 VAL B 28 -8.272 -34.171 11.678 1.00
0.88 C
ATOM 1295 CG2 VAL B 28 -6.951 -32.156 10.921 1.00
0.88 C
ATOM 1296 N LYS B 29 -7.690 -34.332 15.018 1.00
0.83 N
ATOM 1297 CA LYS B 29 -7.882 -35.516 15.814 1.00
0.83 C
ATOM 1298 C LYS B 29 -8.800 -36.451 15.053 1.00
0.83 C
ATOM 1299 O LYS B 29 -9.873 -36.052 14.594 1.00
0.83 O
ATOM 1300 CB LYS B 29 -8.486 -35.161 17.188 1.00
0.83 C
ATOM 1301 CG LYS B 29 -8.606 -36.374 18.116 1.00
0.83 C
ATOM 1302 CD LYS B 29 -9.131 -35.968 19.496 1.00
0.83 C
ATOM 1303 CE LYS B 29 -9.258 -37.153 20.450 1.00
0.83 C
ATOM 1304 NZ LYS B 29 -9.792 -36.682 21.745 1.00
0.83 N
71
ATOM 1305 N VAL B 30 -8.392 -37.714 14.883 1.00

0.89 N
ATOM 1306 CA VAL B 30 -9.095 -38.725 14.126 1.00
0.89 C
ATOM 1307 C VAL B 30 -9.523 -39.803 15.100 1.00
0.89 C
ATOM 1308 O VAL B 30 -8.702 -40.381 15.820 1.00
0.89 O
ATOM 1309 CB VAL B 30 -8.211 -39.354 13.053 1.00
0.89 C
ATOM 1310 CG1 VAL B 30 -9.018 -40.352 12.198 1.00
0.89 C
ATOM 1311 CG2 VAL B 30 -7.599 -38.249 12.168 1.00
0.89 C
ATOM 1312 N SER B 31 -10.828 -40.099 15.154 1.00
0.87 N
ATOM 1313 CA SER B 31 -11.409 -41.051 16.083 1.00
0.87 C
ATOM 1314 C SER B 31 -12.365 -41.940 15.336 1.00
0.87 C
ATOM 1315 O SER B 31 -12.694 -41.694 14.173 1.00
0.87 O
ATOM 1316 CB SER B 31 -12.141 -40.399 17.300 1.00
0.87 C
ATOM 1317 OG SER B 31 -13.260 -39.589 16.920 1.00
0.87 O
ATOM 1318 N GLY B 32 -12.824 -43.035 15.955 1.00
0.86 N
ATOM 1319 CA GLY B 32 -13.776 -43.937 15.342 1.00
0.86 C
ATOM 1320 C GLY B 32 -13.234 -45.315 15.437 1.00
0.86 C
ATOM 1321 O GLY B 32 -12.393 -45.606 16.297 1.00
0.86 O
ATOM 1322 N GLU B 33 -13.703 -46.198 14.558 1.00
0.81 N
ATOM 1323 CA GLU B 33 -13.352 -47.589 14.614 1.00
0.81 C
ATOM 1324 C GLU B 33 -13.596 -48.282 13.300 1.00
0.81 C
ATOM 1325 O GLU B 33 -14.318 -47.797 12.425 1.00
0.81 O
ATOM 1326 CB GLU B 33 -14.080 -48.321 15.772 1.00
0.81 C
ATOM 1327 CG GLU B 33 -15.629 -48.243 15.739 1.00
0.81 C
72
ATOM 1328 CD GLU B 33 -16.275 -48.075 17.121 1.00

0.81 C
ATOM 1329 OE1 GLU B 33 -17.524 -47.935 17.128 1.00
0.81 O
ATOM 1330 OE2 GLU B 33 -15.556 -48.049 18.162 1.00
0.81 O
ATOM 1331 N VAL B 34 -12.930 -49.438 13.133 1.00
0.84 N
ATOM 1332 CA VAL B 34 -12.991 -50.293 11.963 1.00
0.84 C
ATOM 1333 C VAL B 34 -13.266 -51.702 12.447 1.00
0.84 C
ATOM 1334 O VAL B 34 -12.612 -52.205 13.362 1.00
0.84 O
ATOM 1335 CB VAL B 34 -11.709 -50.259 11.125 1.00
0.84 C
ATOM 1336 CG1 VAL B 34 -11.856 -51.131 9.856 1.00
0.84 C
ATOM 1337 CG2 VAL B 34 -11.401 -48.800 10.723 1.00
0.84 C
ATOM 1338 N CYS B 35 -14.261 -52.377 11.851 1.00
0.81 N
ATOM 1339 CA CYS B 35 -14.776 -53.661 12.273 1.00
0.81 C
ATOM 1340 C CYS B 35 -14.481 -54.716 11.228 1.00
0.81 C
ATOM 1341 O CYS B 35 -14.781 -54.541 10.045 1.00
0.81 O
ATOM 1342 CB CYS B 35 -16.318 -53.621 12.446 1.00
0.81 C
ATOM 1343 SG CYS B 35 -16.862 -52.423 13.704 1.00
0.81 S
ATOM 1344 N GLY B 36 -13.900 -55.855 11.661 1.00
0.80 N
ATOM 1345 CA GLY B 36 -13.686 -57.030 10.820 1.00
0.80 C
ATOM 1346 C GLY B 36 -12.295 -57.207 10.271 1.00
0.80 C
ATOM 1347 O GLY B 36 -12.052 -58.119 9.491 1.00
0.80 O
ATOM 1348 N LEU B 37 -11.324 -56.357 10.658 1.00
0.79 N
ATOM 1349 CA LEU B 37 -9.937 -56.538 10.266 1.00
0.79 C
ATOM 1350 C LEU B 37 -9.317 -57.836 10.750 1.00
0.79 C
73
ATOM 1351 O LEU B 37 -9.497 -58.248 11.902 1.00

0.79 O
ATOM 1352 CB LEU B 37 -9.039 -55.395 10.784 1.00
0.79 C
ATOM 1353 CG LEU B 37 -9.362 -54.015 10.199 1.00
0.79 C
ATOM 1354 CD1 LEU B 37 -8.587 -52.938 10.964 1.00
0.79 C
ATOM 1355 CD2 LEU B 37 -9.039 -53.931 8.701 1.00
0.79 C
ATOM 1356 N ALA B 38 -8.520 -58.505 9.894 1.00
0.79 N
ATOM 1357 CA ALA B 38 -7.651 -59.576 10.321 1.00
0.79 C
ATOM 1358 C ALA B 38 -6.600 -59.030 11.286 1.00
0.79 C
ATOM 1359 O ALA B 38 -6.193 -57.875 11.178 1.00
0.79 O
ATOM 1360 CB ALA B 38 -6.980 -60.270 9.113 1.00
0.79 C
ATOM 1361 N LYS B 39 -6.140 -59.826 12.262 1.00
0.75 N
ATOM 1362 CA LYS B 39 -5.097 -59.439 13.195 1.00
0.75 C
ATOM 1363 C LYS B 39 -3.786 -59.002 12.539 1.00
0.75 C
ATOM 1364 O LYS B 39 -3.271 -59.717 11.664 1.00
0.75 O
ATOM 1365 CB LYS B 39 -4.750 -60.679 14.051 1.00
0.75 C
ATOM 1366 CG LYS B 39 -3.733 -60.425 15.179 1.00
0.75 C
ATOM 1367 CD LYS B 39 -3.023 -61.688 15.700 1.00
0.75 C
ATOM 1368 CE LYS B 39 -2.204 -62.406 14.618 1.00
0.75 C
ATOM 1369 NZ LYS B 39 -1.466 -63.559 15.183 1.00
0.75 N
ATOM 1370 N GLY B 40 -3.181 -57.884 12.975 1.00
0.84 N
ATOM 1371 CA GLY B 40 -1.988 -57.312 12.370 1.00
0.84 C
ATOM 1372 C GLY B 40 -2.216 -55.889 11.958 1.00
0.84 C
ATOM 1373 O GLY B 40 -3.277 -55.302 12.192 1.00
0.84 O
74
ATOM 1374 N LEU B 41 -1.183 -55.294 11.345 1.00

0.84 N
ATOM 1375 CA LEU B 41 -1.161 -53.936 10.856 1.00
0.84 C
ATOM 1376 C LEU B 41 -1.776 -53.835 9.473 1.00
0.84 C
ATOM 1377 O LEU B 41 -1.448 -54.615 8.583 1.00
0.84 O
ATOM 1378 CB LEU B 41 0.301 -53.436 10.707 1.00
0.84 C
ATOM 1379 CG LEU B 41 1.103 -53.320 12.013 1.00
0.84 C
ATOM 1380 CD1 LEU B 41 2.611 -53.169 11.740 1.00
0.84 C
ATOM 1381 CD2 LEU B 41 0.615 -52.114 12.817 1.00
0.84 C
ATOM 1382 N HIS B 42 -2.638 -52.829 9.247 1.00
0.83 N
ATOM 1383 CA HIS B 42 -3.269 -52.571 7.970 1.00
0.83 C
ATOM 1384 C HIS B 42 -2.969 -51.138 7.604 1.00
0.83 C
ATOM 1385 O HIS B 42 -3.151 -50.249 8.439 1.00
0.83 O
ATOM 1386 CB HIS B 42 -4.794 -52.725 8.113 1.00
0.83 C
ATOM 1387 CG HIS B 42 -5.180 -54.132 8.390 1.00
0.83 C
ATOM 1388 ND1 HIS B 42 -5.461 -54.943 7.317 1.00
0.83 N
ATOM 1389 CD2 HIS B 42 -5.198 -54.849 9.536 1.00
0.83 C
ATOM 1390 CE1 HIS B 42 -5.628 -56.138 7.816 1.00
0.83 C
ATOM 1391 NE2 HIS B 42 -5.488 -56.144 9.165 1.00
0.83 N
ATOM 1392 N GLY B 43 -2.441 -50.853 6.391 1.00
0.90 N
ATOM 1393 CA GLY B 43 -2.238 -49.488 5.884 1.00
0.90 C
ATOM 1394 C GLY B 43 -3.447 -48.591 5.926 1.00
0.90 C
ATOM 1395 O GLY B 43 -4.578 -49.039 5.710 1.00
0.90 O
ATOM 1396 N PHE B 44 -3.242 -47.299 6.193 1.00
0.90 N
75
ATOM 1397 CA PHE B 44 -4.324 -46.388 6.444 1.00

0.90 C
ATOM 1398 C PHE B 44 -3.932 -45.031 5.892 1.00
0.90 C
ATOM 1399 O PHE B 44 -2.991 -44.392 6.374 1.00
0.90 O
ATOM 1400 CB PHE B 44 -4.547 -46.360 7.980 1.00
0.90 C
ATOM 1401 CG PHE B 44 -5.803 -45.661 8.410 1.00
0.90 C
ATOM 1402 CD1 PHE B 44 -7.044 -46.108 7.939 1.00
0.90 C
ATOM 1403 CD2 PHE B 44 -5.769 -44.616 9.347 1.00
0.90 C
ATOM 1404 CE1 PHE B 44 -8.233 -45.537 8.407 1.00
0.90 C
ATOM 1405 CE2 PHE B 44 -6.958 -44.038 9.813 1.00
0.90 C
ATOM 1406 CZ PHE B 44 -8.192 -44.503 9.347 1.00
0.90 C
ATOM 1407 N HIS B 45 -4.629 -44.541 4.850 1.00
0.89 N
ATOM 1408 CA HIS B 45 -4.210 -43.314 4.202 1.00
0.89 C
ATOM 1409 C HIS B 45 -5.375 -42.520 3.688 1.00
0.89 C
ATOM 1410 O HIS B 45 -6.426 -43.062 3.325 1.00
0.89 O
ATOM 1411 CB HIS B 45 -3.252 -43.517 2.997 1.00
0.89 C
ATOM 1412 CG HIS B 45 -2.355 -44.690 3.141 1.00
0.89 C
ATOM 1413 ND1 HIS B 45 -2.632 -45.875 2.484 1.00
0.89 N
ATOM 1414 CD2 HIS B 45 -1.206 -44.790 3.859 1.00
0.89 C
ATOM 1415 CE1 HIS B 45 -1.628 -46.678 2.821 1.00
0.89 C
ATOM 1416 NE2 HIS B 45 -0.755 -46.065 3.644 1.00
0.89 N
ATOM 1417 N VAL B 46 -5.197 -41.196 3.598 1.00
0.91 N
ATOM 1418 CA VAL B 46 -6.067 -40.338 2.818 1.00
0.91 C
ATOM 1419 C VAL B 46 -5.519 -40.328 1.398 1.00
0.91 C
76
ATOM 1420 O VAL B 46 -4.366 -39.963 1.151 1.00

0.91 O
ATOM 1421 CB VAL B 46 -6.174 -38.916 3.365 1.00
0.91 C
ATOM 1422 CG1 VAL B 46 -7.082 -38.051 2.464 1.00
0.91 C
ATOM 1423 CG2 VAL B 46 -6.723 -38.948 4.808 1.00
0.91 C
ATOM 1424 N HIS B 47 -6.327 -40.758 0.419 1.00
0.87 N
ATOM 1425 CA HIS B 47 -6.012 -40.758 -0.995 1.00
0.87 C
ATOM 1426 C HIS B 47 -6.546 -39.491 -1.597 1.00
0.87 C
ATOM 1427 O HIS B 47 -7.429 -38.848 -1.019 1.00
0.87 O
ATOM 1428 CB HIS B 47 -6.561 -41.994 -1.740 1.00
0.87 C
ATOM 1429 CG HIS B 47 -5.853 -43.243 -1.340 1.00
0.87 C
ATOM 1430 ND1 HIS B 47 -5.288 -44.044 -2.315 1.00
0.87 N
ATOM 1431 CD2 HIS B 47 -5.620 -43.767 -0.114 1.00
0.87 C
ATOM 1432 CE1 HIS B 47 -4.725 -45.029 -1.663 1.00
0.87 C
ATOM 1433 NE2 HIS B 47 -4.891 -44.918 -0.320 1.00
0.87 N
ATOM 1434 N GLU B 48 -5.989 -39.054 -2.735 1.00
0.85 N
ATOM 1435 CA GLU B 48 -6.247 -37.741 -3.292 1.00
0.85 C
ATOM 1436 C GLU B 48 -7.698 -37.457 -3.710 1.00
0.85 C
ATOM 1437 O GLU B 48 -8.241 -36.399 -3.381 1.00
0.85 O
ATOM 1438 CB GLU B 48 -5.291 -37.461 -4.478 1.00
0.85 C
ATOM 1439 CG GLU B 48 -5.221 -35.960 -4.857 1.00
0.85 C
ATOM 1440 CD GLU B 48 -4.600 -35.675 -6.225 1.00
0.85 C
ATOM 1441 OE1 GLU B 48 -3.943 -36.573 -6.807 1.00
0.85 O
ATOM 1442 OE2 GLU B 48 -4.802 -34.518 -6.677 1.00
0.85 O
77
ATOM 1443 N PHE B 49 -8.368 -38.403 -4.403 1.00

0.84 N
ATOM 1444 CA PHE B 49 -9.678 -38.197 -4.993 1.00
0.84 C
ATOM 1445 C PHE B 49 -10.758 -38.858 -4.161 1.00
0.84 C
ATOM 1446 O PHE B 49 -10.624 -39.985 -3.677 1.00
0.84 O
ATOM 1447 CB PHE B 49 -9.803 -38.749 -6.442 1.00
0.84 C
ATOM 1448 CG PHE B 49 -8.694 -38.231 -7.308 1.00
0.84 C
ATOM 1449 CD1 PHE B 49 -8.512 -36.855 -7.499 1.00
0.84 C
ATOM 1450 CD2 PHE B 49 -7.774 -39.120 -7.882 1.00
0.84 C
ATOM 1451 CE1 PHE B 49 -7.429 -36.374 -8.241 1.00
0.84 C
ATOM 1452 CE2 PHE B 49 -6.669 -38.641 -8.595 1.00
0.84 C
ATOM 1453 CZ PHE B 49 -6.509 -37.267 -8.795 1.00
0.84 C
ATOM 1454 N GLY B 50 -11.901 -38.167 -4.016 1.00
0.84 N
ATOM 1455 CA GLY B 50 -13.137 -38.662 -3.422 1.00
0.84 C
ATOM 1456 C GLY B 50 -13.992 -39.297 -4.472 1.00
0.84 C
ATOM 1457 O GLY B 50 -15.201 -39.074 -4.541 1.00
0.84 O
ATOM 1458 N ASP B 51 -13.355 -40.093 -5.334 1.00
0.78 N
ATOM 1459 CA ASP B 51 -13.902 -40.690 -6.508 1.00
0.78 C
ATOM 1460 C ASP B 51 -14.047 -42.174 -6.199 1.00
0.78 C
ATOM 1461 O ASP B 51 -13.067 -42.853 -5.815 1.00
0.78 O
ATOM 1462 CB ASP B 51 -12.969 -40.305 -7.696 1.00
0.78 C
ATOM 1463 CG ASP B 51 -13.476 -40.745 -9.053 1.00
0.78 C
ATOM 1464 OD1 ASP B 51 -14.206 -41.768 -9.092 1.00
0.78 O
ATOM 1465 OD2 ASP B 51 -13.131 -40.083 -10.067 1.00
0.78 O
78
ATOM 1466 N ASN B 52 -15.277 -42.695 -6.279 1.00

0.78 N
ATOM 1467 CA ASN B 52 -15.642 -44.079 -6.075 1.00
0.78 C
ATOM 1468 C ASN B 52 -16.130 -44.690 -7.402 1.00
0.78 C
ATOM 1469 O ASN B 52 -16.839 -45.700 -7.395 1.00
0.78 O
ATOM 1470 CB ASN B 52 -16.739 -44.165 -4.968 1.00
0.78 C
ATOM 1471 CG ASN B 52 -16.892 -45.578 -4.410 1.00
0.78 C
ATOM 1472 OD1 ASN B 52 -15.912 -46.276 -4.132 1.00
0.78 O
ATOM 1473 ND2 ASN B 52 -18.146 -46.043 -4.207 1.00
0.78 N
ATOM 1474 N THR B 53 -15.826 -44.113 -8.595 1.00
0.75 N
ATOM 1475 CA THR B 53 -16.361 -44.630 -9.877 1.00
0.75 C
ATOM 1476 C THR B 53 -15.951 -46.039 -10.276 1.00
0.75 C
ATOM 1477 O THR B 53 -16.663 -46.704 -11.047 1.00
0.75 O
ATOM 1478 CB THR B 53 -16.134 -43.741 -11.085 1.00
0.75 C
ATOM 1479 OG1 THR B 53 -14.749 -43.506 -11.442 1.00
0.75 O
ATOM 1480 CG2 THR B 53 -16.735 -42.365 -10.781 1.00
0.75 C
ATOM 1481 N ASN B 54 -14.824 -46.527 -9.764 1.00
0.80 N
ATOM 1482 CA ASN B 54 -14.212 -47.805 -10.018 1.00
0.80 C
ATOM 1483 C ASN B 54 -13.832 -48.344 -8.638 1.00
0.80 C
ATOM 1484 O ASN B 54 -12.699 -48.779 -8.394 1.00
0.80 O
ATOM 1485 CB ASN B 54 -12.957 -47.582 -10.910 1.00
0.80 C
ATOM 1486 CG ASN B 54 -12.399 -48.911 -11.394 1.00
0.80 C
ATOM 1487 OD1 ASN B 54 -13.109 -49.912 -11.483 1.00
0.80 O
ATOM 1488 ND2 ASN B 54 -11.081 -48.955 -11.708 1.00
0.80 N
79
ATOM 1489 N GLY B 55 -14.759 -48.289 -7.652 1.00

0.85 N
ATOM 1490 CA GLY B 55 -14.491 -48.691 -6.270 1.00
0.85 C
ATOM 1491 C GLY B 55 -13.395 -47.886 -5.604 1.00
0.85 C
ATOM 1492 O GLY B 55 -13.210 -46.700 -5.867 1.00
0.85 O
ATOM 1493 N CYS B 56 -12.585 -48.518 -4.736 1.00
0.87 N
ATOM 1494 CA CYS B 56 -11.496 -47.817 -4.062 1.00
0.87 C
ATOM 1495 C CYS B 56 -10.263 -47.610 -4.932 1.00
0.87 C
ATOM 1496 O CYS B 56 -9.289 -46.968 -4.490 1.00
0.87 O
ATOM 1497 CB CYS B 56 -11.037 -48.567 -2.789 1.00
0.87 C
ATOM 1498 SG CYS B 56 -12.392 -48.977 -1.653 1.00
0.87 S
ATOM 1499 N MET B 57 -10.204 -48.148 -6.156 1.00
0.84 N
ATOM 1500 CA MET B 57 -9.155 -47.915 -7.133 1.00
0.84 C
ATOM 1501 C MET B 57 -9.119 -46.485 -7.675 1.00
0.84 C
ATOM 1502 O MET B 57 -8.055 -45.929 -7.909 1.00
0.84 O
ATOM 1503 CB MET B 57 -9.286 -48.867 -8.333 1.00
0.84 C
ATOM 1504 CG MET B 57 -9.034 -50.349 -8.002 1.00
0.84 C
ATOM 1505 SD MET B 57 -9.338 -51.463 -9.410 1.00
0.84 S
ATOM 1506 CE MET B 57 -7.978 -50.890 -10.472 1.00
0.84 C
ATOM 1507 N SER B 58 -10.300 -45.848 -7.874 1.00
0.84 N
ATOM 1508 CA SER B 58 -10.389 -44.532 -8.505 1.00
0.84 C
ATOM 1509 C SER B 58 -10.131 -43.410 -7.519 1.00
0.84 C
ATOM 1510 O SER B 58 -10.035 -42.254 -7.901 1.00
0.84 O
ATOM 1511 CB SER B 58 -11.728 -44.258 -9.240 1.00
0.84 C
80
ATOM 1512 OG SER B 58 -12.894 -44.734 -8.512 1.00

0.84 O
ATOM 1513 N SER B 59 -9.855 -43.745 -6.234 1.00
0.86 N
ATOM 1514 CA SER B 59 -9.426 -42.770 -5.235 1.00
0.86 C
ATOM 1515 C SER B 59 -8.030 -42.201 -5.504 1.00
0.86 C
ATOM 1516 O SER B 59 -7.641 -41.168 -4.964 1.00
0.86 O
ATOM 1517 CB SER B 59 -9.512 -43.313 -3.778 1.00
0.86 C
ATOM 1518 OG SER B 59 -8.552 -44.325 -3.476 1.00
0.86 O
ATOM 1519 N GLY B 60 -7.265 -42.862 -6.408 1.00
0.89 N
ATOM 1520 CA GLY B 60 -5.979 -42.413 -6.919 1.00
0.89 C
ATOM 1521 C GLY B 60 -4.808 -42.850 -6.062 1.00
0.89 C
ATOM 1522 O GLY B 60 -4.805 -43.969 -5.575 1.00
0.89 O
ATOM 1523 N PRO B 61 -3.762 -42.048 -5.926 1.00
0.89 N
ATOM 1524 CA PRO B 61 -2.682 -42.314 -4.998 1.00
0.89 C
ATOM 1525 C PRO B 61 -2.928 -41.562 -3.707 1.00
0.89 C
ATOM 1526 O PRO B 61 -3.954 -40.893 -3.557 1.00
0.89 O
ATOM 1527 CB PRO B 61 -1.466 -41.779 -5.766 1.00
0.89 C
ATOM 1528 CG PRO B 61 -1.999 -40.573 -6.553 1.00
0.89 C
ATOM 1529 CD PRO B 61 -3.491 -40.866 -6.750 1.00
0.89 C
ATOM 1530 N HIS B 62 -2.006 -41.675 -2.737 1.00
0.87 N
ATOM 1531 CA HIS B 62 -2.061 -40.977 -1.471 1.00
0.87 C
ATOM 1532 C HIS B 62 -2.036 -39.471 -1.644 1.00
0.87 C
ATOM 1533 O HIS B 62 -1.376 -38.936 -2.538 1.00
0.87 O
ATOM 1534 CB HIS B 62 -0.909 -41.453 -0.594 1.00
0.87 C
81
ATOM 1535 CG HIS B 62 -0.865 -42.936 -0.458 1.00

0.87 C
ATOM 1536 ND1 HIS B 62 0.233 -43.437 0.161 1.00
0.87 N
ATOM 1537 CD2 HIS B 62 -1.728 -43.941 -0.755 1.00
0.87 C
ATOM 1538 CE1 HIS B 62 0.053 -44.720 0.261 1.00
0.87 C
ATOM 1539 NE2 HIS B 62 -1.131 -45.099 -0.288 1.00
0.87 N
ATOM 1540 N PHE B 63 -2.798 -38.733 -0.819 1.00
0.88 N
ATOM 1541 CA PHE B 63 -2.911 -37.293 -0.907 1.00
0.88 C
ATOM 1542 C PHE B 63 -1.571 -36.580 -0.696 1.00
0.88 C
ATOM 1543 O PHE B 63 -0.970 -36.641 0.387 1.00
0.88 O
ATOM 1544 CB PHE B 63 -3.993 -36.804 0.094 1.00
0.88 C
ATOM 1545 CG PHE B 63 -4.209 -35.313 0.090 1.00
0.88 C
ATOM 1546 CD1 PHE B 63 -4.294 -34.576 -1.102 1.00
0.88 C
ATOM 1547 CD2 PHE B 63 -4.272 -34.626 1.310 1.00
0.88 C
ATOM 1548 CE1 PHE B 63 -4.413 -33.180 -1.072 1.00
0.88 C
ATOM 1549 CE2 PHE B 63 -4.424 -33.238 1.339 1.00
0.88 C
ATOM 1550 CZ PHE B 63 -4.500 -32.509 0.151 1.00
0.88 C
ATOM 1551 N ASN B 64 -1.083 -35.884 -1.743 1.00
0.86 N
ATOM 1552 CA ASN B 64 0.284 -35.424 -1.831 1.00
0.86 C
ATOM 1553 C ASN B 64 0.425 -34.018 -2.472 1.00
0.86 C
ATOM 1554 O ASN B 64 1.135 -33.879 -3.468 1.00
0.86 O
ATOM 1555 CB ASN B 64 1.036 -36.493 -2.658 1.00
0.86 C
ATOM 1556 CG ASN B 64 2.530 -36.246 -2.586 1.00
0.86 C
ATOM 1557 OD1 ASN B 64 3.023 -35.609 -1.647 1.00
0.86 O
82
ATOM 1558 ND2 ASN B 64 3.283 -36.759 -3.585 1.00

0.86 N
ATOM 1559 N PRO B 65 -0.169 -32.933 -1.972 1.00
0.85 N
ATOM 1560 CA PRO B 65 0.038 -31.582 -2.501 1.00
0.85 C
ATOM 1561 C PRO B 65 1.442 -31.039 -2.256 1.00
0.85 C
ATOM 1562 O PRO B 65 1.814 -30.081 -2.929 1.00
0.85 O
ATOM 1563 CB PRO B 65 -0.990 -30.731 -1.736 1.00
0.85 C
ATOM 1564 CG PRO B 65 -1.056 -31.425 -0.383 1.00
0.85 C
ATOM 1565 CD PRO B 65 -0.910 -32.910 -0.719 1.00
0.85 C
ATOM 1566 N TYR B 66 2.245 -31.610 -1.324 1.00
0.85 N
ATOM 1567 CA TYR B 66 3.618 -31.176 -1.092 1.00
0.85 C
ATOM 1568 C TYR B 66 4.604 -31.953 -1.951 1.00
0.85 C
ATOM 1569 O TYR B 66 5.809 -31.749 -1.834 1.00
0.85 O
ATOM 1570 CB TYR B 66 4.077 -31.323 0.390 1.00
0.85 C
ATOM 1571 CG TYR B 66 3.607 -30.160 1.207 1.00
0.85 C
ATOM 1572 CD1 TYR B 66 4.244 -28.904 1.157 1.00
0.85 C
ATOM 1573 CD2 TYR B 66 2.510 -30.328 2.049 1.00
0.85 C
ATOM 1574 CE1 TYR B 66 3.791 -27.847 1.969 1.00
0.85 C
ATOM 1575 CE2 TYR B 66 2.054 -29.279 2.847 1.00
0.85 C
ATOM 1576 CZ TYR B 66 2.699 -28.048 2.821 1.00
0.85 C
ATOM 1577 OH TYR B 66 2.171 -27.051 3.665 1.00
0.85 O
ATOM 1578 N GLY B 67 4.125 -32.849 -2.848 1.00
0.88 N
ATOM 1579 CA GLY B 67 4.970 -33.502 -3.851 1.00
0.88 C
ATOM 1580 C GLY B 67 6.092 -34.368 -3.333 1.00
0.88 C
83
ATOM 1581 O GLY B 67 7.188 -34.383 -3.881 1.00

0.88 O
ATOM 1582 N LYS B 68 5.828 -35.090 -2.236 1.00
0.83 N
ATOM 1583 CA LYS B 68 6.769 -35.902 -1.506 1.00
0.83 C
ATOM 1584 C LYS B 68 6.634 -37.377 -1.856 1.00
0.83 C
ATOM 1585 O LYS B 68 5.712 -37.778 -2.576 1.00
0.83 O
ATOM 1586 CB LYS B 68 6.565 -35.649 0.003 1.00
0.83 C
ATOM 1587 CG LYS B 68 7.194 -34.322 0.457 1.00
0.83 C
ATOM 1588 CD LYS B 68 7.166 -34.208 1.985 1.00
0.83 C
ATOM 1589 CE LYS B 68 7.794 -32.927 2.526 1.00
0.83 C
ATOM 1590 NZ LYS B 68 7.729 -32.936 4.005 1.00
0.83 N
ATOM 1591 N GLU B 69 7.576 -38.210 -1.375 1.00
0.83 N
ATOM 1592 CA GLU B 69 7.544 -39.661 -1.467 1.00
0.83 C
ATOM 1593 C GLU B 69 6.783 -40.174 -0.249 1.00
0.83 C
ATOM 1594 O GLU B 69 6.542 -39.419 0.693 1.00
0.83 O
ATOM 1595 CB GLU B 69 8.970 -40.283 -1.489 1.00
0.83 C
ATOM 1596 CG GLU B 69 9.819 -39.888 -2.728 1.00
0.83 C
ATOM 1597 CD GLU B 69 9.257 -40.444 -4.039 1.00
0.83 C
ATOM 1598 OE1 GLU B 69 8.725 -41.581 -4.019 1.00
0.83 O
ATOM 1599 OE2 GLU B 69 9.397 -39.742 -5.071 1.00
0.83 O
ATOM 1600 N HIS B 70 6.364 -41.451 -0.257 1.00
0.86 N
ATOM 1601 CA HIS B 70 5.676 -42.131 0.834 1.00
0.86 C
ATOM 1602 C HIS B 70 6.503 -42.320 2.087 1.00
0.86 C
ATOM 1603 O HIS B 70 7.694 -42.667 2.021 1.00
0.86 O
84
ATOM 1604 CB HIS B 70 5.206 -43.534 0.381 1.00

0.86 C
ATOM 1605 CG HIS B 70 4.476 -44.327 1.398 1.00
0.86 C
ATOM 1606 ND1 HIS B 70 3.197 -43.932 1.651 1.00
0.86 N
ATOM 1607 CD2 HIS B 70 4.856 -45.300 2.261 1.00
0.86 C
ATOM 1608 CE1 HIS B 70 2.804 -44.647 2.674 1.00
0.86 C
ATOM 1609 NE2 HIS B 70 3.769 -45.503 3.080 1.00
0.86 N
ATOM 1610 N GLY B 71 5.863 -42.155 3.259 1.00
0.89 N
ATOM 1611 CA GLY B 71 6.475 -42.448 4.541 1.00
0.89 C
ATOM 1612 C GLY B 71 5.443 -42.746 5.595 1.00
0.89 C
ATOM 1613 O GLY B 71 4.251 -42.881 5.344 1.00
0.89 O
ATOM 1614 N ALA B 72 5.868 -42.851 6.862 1.00
0.90 N
ATOM 1615 CA ALA B 72 4.969 -42.909 8.005 1.00
0.90 C
ATOM 1616 C ALA B 72 4.440 -41.544 8.405 1.00
0.90 C
ATOM 1617 O ALA B 72 5.011 -40.551 7.968 1.00
0.90 O
ATOM 1618 CB ALA B 72 5.752 -43.395 9.240 1.00
0.90 C
ATOM 1619 N PRO B 73 3.447 -41.389 9.295 1.00
0.89 N
ATOM 1620 CA PRO B 73 3.002 -40.083 9.769 1.00
0.89 C
ATOM 1621 C PRO B 73 4.122 -39.282 10.418 1.00
0.89 C
ATOM 1622 O PRO B 73 4.076 -38.055 10.360 1.00
0.89 O
ATOM 1623 CB PRO B 73 1.810 -40.367 10.706 1.00
0.89 C
ATOM 1624 CG PRO B 73 1.834 -41.882 10.945 1.00
0.89 C
ATOM 1625 CD PRO B 73 2.506 -42.429 9.684 1.00
0.89 C
ATOM 1626 N VAL B 74 5.134 -39.962 10.998 1.00
0.86 N
85
ATOM 1627 CA VAL B 74 6.280 -39.360 11.654 1.00

0.86 C
ATOM 1628 C VAL B 74 7.495 -39.243 10.742 1.00
0.86 C
ATOM 1629 O VAL B 74 8.523 -38.718 11.168 1.00
0.86 O
ATOM 1630 CB VAL B 74 6.692 -40.137 12.916 1.00
0.86 C
ATOM 1631 CG1 VAL B 74 5.500 -40.177 13.894 1.00
0.86 C
ATOM 1632 CG2 VAL B 74 7.223 -41.559 12.607 1.00
0.86 C
ATOM 1633 N ASP B 75 7.445 -39.709 9.469 1.00
0.82 N
ATOM 1634 CA ASP B 75 8.552 -39.526 8.549 1.00
0.82 C
ATOM 1635 C ASP B 75 8.731 -38.039 8.184 1.00
0.82 C
ATOM 1636 O ASP B 75 7.756 -37.278 8.082 1.00
0.82 O
ATOM 1637 CB ASP B 75 8.407 -40.455 7.312 1.00
0.82 C
ATOM 1638 CG ASP B 75 9.767 -40.786 6.707 1.00
0.82 C
ATOM 1639 OD1 ASP B 75 10.478 -39.837 6.290 1.00
0.82 O
ATOM 1640 OD2 ASP B 75 10.122 -41.995 6.703 1.00
0.82 O
ATOM 1641 N GLU B 76 9.982 -37.579 7.990 1.00
0.76 N
ATOM 1642 CA GLU B 76 10.336 -36.270 7.467 1.00
0.76 C
ATOM 1643 C GLU B 76 9.838 -36.107 6.020 1.00
0.76 C
ATOM 1644 O GLU B 76 9.347 -35.043 5.589 1.00
0.76 O
ATOM 1645 CB GLU B 76 11.868 -36.053 7.596 1.00
0.76 C
ATOM 1646 CG GLU B 76 12.376 -35.940 9.064 1.00
0.76 C
ATOM 1647 CD GLU B 76 13.886 -35.689 9.155 1.00
0.76 C
ATOM 1648 OE1 GLU B 76 14.556 -35.685 8.091 1.00
0.76 O
ATOM 1649 OE2 GLU B 76 14.370 -35.482 10.298 1.00
0.76 O
86
ATOM 1650 N ASN B 77 9.912 -37.204 5.241 1.00

0.84 N
ATOM 1651 CA ASN B 77 9.439 -37.291 3.882 1.00
0.84 C
ATOM 1652 C ASN B 77 8.212 -38.204 3.880 1.00
0.84 C
ATOM 1653 O ASN B 77 8.319 -39.412 4.069 1.00
0.84 O
ATOM 1654 CB ASN B 77 10.590 -37.811 2.969 1.00
0.84 C
ATOM 1655 CG ASN B 77 10.234 -37.672 1.499 1.00
0.84 C
ATOM 1656 OD1 ASN B 77 9.089 -37.359 1.137 1.00
0.84 O
ATOM 1657 ND2 ASN B 77 11.193 -37.828 0.571 1.00
0.84 N
ATOM 1658 N ARG B 78 7.008 -37.640 3.677 1.00
0.80 N
ATOM 1659 CA ARG B 78 5.791 -38.404 3.669 1.00
0.80 C
ATOM 1660 C ARG B 78 4.776 -37.643 2.877 1.00
0.80 C
ATOM 1661 O ARG B 78 4.848 -36.397 2.780 1.00
0.80 O
ATOM 1662 CB ARG B 78 5.167 -38.598 5.080 1.00
0.80 C
ATOM 1663 CG ARG B 78 4.943 -37.286 5.872 1.00
0.80 C
ATOM 1664 CD ARG B 78 4.116 -37.455 7.156 1.00
0.80 C
ATOM 1665 NE ARG B 78 2.655 -37.217 6.841 1.00
0.80 N
ATOM 1666 CZ ARG B 78 1.731 -36.917 7.784 1.00
0.80 C
ATOM 1667 NH1 ARG B 78 2.055 -36.741 9.050 1.00
0.80 N
ATOM 1668 NH2 ARG B 78 0.432 -36.762 7.491 1.00
0.80 N
ATOM 1669 N HIS B 79 3.775 -38.326 2.326 1.00
0.86 N
ATOM 1670 CA HIS B 79 2.575 -37.727 1.818 1.00
0.86 C
ATOM 1671 C HIS B 79 1.797 -37.102 2.971 1.00
0.86 C
ATOM 1672 O HIS B 79 1.898 -37.492 4.140 1.00
0.86 O
87
ATOM 1673 CB HIS B 79 1.726 -38.731 1.015 1.00

0.86 C
ATOM 1674 CG HIS B 79 2.506 -39.433 -0.049 1.00
0.86 C
ATOM 1675 ND1 HIS B 79 2.280 -40.768 -0.221 1.00
0.86 N
ATOM 1676 CD2 HIS B 79 3.403 -39.001 -0.962 1.00
0.86 C
ATOM 1677 CE1 HIS B 79 3.037 -41.148 -1.209 1.00
0.86 C
ATOM 1678 NE2 HIS B 79 3.744 -40.107 -1.721 1.00
0.86 N
ATOM 1679 N LEU B 80 0.986 -36.070 2.720 1.00
0.88 N
ATOM 1680 CA LEU B 80 0.102 -35.569 3.760 1.00
0.88 C
ATOM 1681 C LEU B 80 -0.970 -36.558 4.148 1.00
0.88 C
ATOM 1682 O LEU B 80 -1.417 -36.592 5.294 1.00
0.88 O
ATOM 1683 CB LEU B 80 -0.642 -34.338 3.299 1.00
0.88 C
ATOM 1684 CG LEU B 80 0.198 -33.079 3.153 1.00
0.88 C
ATOM 1685 CD1 LEU B 80 -0.879 -32.051 2.815 1.00
0.88 C
ATOM 1686 CD2 LEU B 80 0.861 -32.517 4.427 1.00
0.88 C
ATOM 1687 N GLY B 81 -1.391 -37.412 3.208 1.00
0.91 N
ATOM 1688 CA GLY B 81 -2.354 -38.456 3.487 1.00
0.91 C
ATOM 1689 C GLY B 81 -1.834 -39.643 4.264 1.00
0.91 C
ATOM 1690 O GLY B 81 -2.636 -40.510 4.614 1.00
0.91 O
ATOM 1691 N ASP B 82 -0.521 -39.725 4.561 1.00
0.90 N
ATOM 1692 CA ASP B 82 0.094 -40.846 5.256 1.00
0.90 C
ATOM 1693 C ASP B 82 -0.226 -40.904 6.728 1.00
0.90 C
ATOM 1694 O ASP B 82 0.336 -40.171 7.545 1.00
0.90 O
ATOM 1695 CB ASP B 82 1.635 -40.816 5.114 1.00
0.90 C
88
ATOM 1696 CG ASP B 82 2.004 -41.045 3.664 1.00

0.90 C
ATOM 1697 OD1 ASP B 82 1.085 -41.431 2.905 1.00
0.90 O
ATOM 1698 OD2 ASP B 82 3.177 -40.751 3.311 1.00
0.90 O
ATOM 1699 N LEU B 83 -1.124 -41.829 7.111 1.00
0.90 N
ATOM 1700 CA LEU B 83 -1.540 -41.996 8.485 1.00
0.90 C
ATOM 1701 C LEU B 83 -1.080 -43.339 9.030 1.00
0.90 C
ATOM 1702 O LEU B 83 -1.425 -43.738 10.141 1.00
0.90 O
ATOM 1703 CB LEU B 83 -3.069 -41.798 8.614 1.00
0.90 C
ATOM 1704 CG LEU B 83 -3.575 -40.406 8.160 1.00
0.90 C
ATOM 1705 CD1 LEU B 83 -5.106 -40.347 8.282 1.00
0.90 C
ATOM 1706 CD2 LEU B 83 -2.919 -39.245 8.934 1.00
0.90 C
ATOM 1707 N GLY B 84 -0.195 -44.043 8.289 1.00
0.91 N
ATOM 1708 CA GLY B 84 0.491 -45.228 8.780 1.00
0.91 C
ATOM 1709 C GLY B 84 -0.371 -46.451 8.805 1.00
0.91 C
ATOM 1710 O GLY B 84 -0.934 -46.873 7.798 1.00
0.91 O
ATOM 1711 N ASN B 85 -0.465 -47.086 9.982 1.00
0.87 N
ATOM 1712 CA ASN B 85 -1.220 -48.292 10.165 1.00
0.87 C
ATOM 1713 C ASN B 85 -2.233 -48.160 11.250 1.00
0.87 C
ATOM 1714 O ASN B 85 -2.001 -47.517 12.286 1.00
0.87 O
ATOM 1715 CB ASN B 85 -0.347 -49.455 10.640 1.00
0.87 C
ATOM 1716 CG ASN B 85 0.685 -49.756 9.583 1.00
0.87 C
ATOM 1717 OD1 ASN B 85 1.841 -49.361 9.684 1.00
0.87 O
ATOM 1718 ND2 ASN B 85 0.262 -50.502 8.536 1.00
0.87 N
89
ATOM 1719 N ILE B 86 -3.345 -48.866 11.077 1.00

0.84 N
ATOM 1720 CA ILE B 86 -4.220 -49.238 12.156 1.00
0.84 C
ATOM 1721 C ILE B 86 -3.889 -50.683 12.459 1.00
0.84 C
ATOM 1722 O ILE B 86 -3.613 -51.464 11.535 1.00
0.84 O
ATOM 1723 CB ILE B 86 -5.695 -49.010 11.833 1.00
0.84 C
ATOM 1724 CG1 ILE B 86 -6.171 -49.724 10.539 1.00
0.84 C
ATOM 1725 CG2 ILE B 86 -5.891 -47.477 11.776 1.00
0.84 C
ATOM 1726 CD1 ILE B 86 -7.674 -49.558 10.278 1.00
0.84 C
ATOM 1727 N GLU B 87 -3.848 -51.077 13.741 1.00
0.78 N
ATOM 1728 CA GLU B 87 -3.518 -52.430 14.142 1.00
0.78 C
ATOM 1729 C GLU B 87 -4.707 -53.107 14.783 1.00
0.78 C
ATOM 1730 O GLU B 87 -5.271 -52.624 15.768 1.00
0.78 O
ATOM 1731 CB GLU B 87 -2.337 -52.494 15.136 1.00
0.78 C
ATOM 1732 CG GLU B 87 -1.841 -53.950 15.342 1.00
0.78 C
ATOM 1733 CD GLU B 87 -0.366 -54.110 15.723 1.00
0.78 C
ATOM 1734 OE1 GLU B 87 0.089 -55.278 15.631 1.00
0.78 O
ATOM 1735 OE2 GLU B 87 0.299 -53.103 16.063 1.00
0.78 O
ATOM 1736 N ALA B 88 -5.130 -54.256 14.230 1.00
0.80 N
ATOM 1737 CA ALA B 88 -6.122 -55.103 14.847 1.00
0.80 C
ATOM 1738 C ALA B 88 -5.441 -56.055 15.815 1.00
0.80 C
ATOM 1739 O ALA B 88 -4.552 -56.819 15.425 1.00
0.80 O
ATOM 1740 CB ALA B 88 -6.878 -55.906 13.770 1.00
0.80 C
ATOM 1741 N THR B 89 -5.854 -56.054 17.100 1.00
0.61 N
90
ATOM 1742 CA THR B 89 -5.280 -56.872 18.172 1.00

0.61 C
ATOM 1743 C THR B 89 -5.683 -58.336 18.034 1.00
0.61 C
ATOM 1744 O THR B 89 -5.022 -59.233 18.551 1.00
0.61 O
ATOM 1745 CB THR B 89 -5.685 -56.362 19.564 1.00
0.61 C
ATOM 1746 OG1 THR B 89 -7.094 -56.208 19.683 1.00
0.61 O
ATOM 1747 CG2 THR B 89 -5.079 -54.965 19.783 1.00
0.61 C
ATOM 1748 N GLY B 90 -6.755 -58.604 17.253 1.00
0.63 N
ATOM 1749 CA GLY B 90 -7.282 -59.932 16.959 1.00
0.63 C
ATOM 1750 C GLY B 90 -8.649 -60.155 17.519 1.00
0.63 C
ATOM 1751 O GLY B 90 -9.397 -60.971 16.987 1.00
0.63 O
ATOM 1752 N ASP B 91 -9.018 -59.375 18.545 1.00
0.55 N
ATOM 1753 CA ASP B 91 -10.270 -59.495 19.241 1.00
0.55 C
ATOM 1754 C ASP B 91 -11.087 -58.234 18.964 1.00
0.55 C
ATOM 1755 O ASP B 91 -10.575 -57.116 19.000 1.00
0.55 O
ATOM 1756 CB ASP B 91 -10.044 -59.612 20.775 1.00
0.55 C
ATOM 1757 CG ASP B 91 -9.356 -60.909 21.178 1.00
0.55 C
ATOM 1758 OD1 ASP B 91 -9.525 -61.928 20.466 1.00
0.55 O
ATOM 1759 OD2 ASP B 91 -8.687 -60.887 22.243 1.00
0.55 O
ATOM 1760 N CYS B 92 -12.401 -58.399 18.695 1.00
0.30 N
ATOM 1761 CA CYS B 92 -13.373 -57.314 18.593 1.00
0.30 C
ATOM 1762 C CYS B 92 -13.107 -56.287 17.421 1.00
0.30 C
ATOM 1763 O CYS B 92 -12.485 -56.731 16.455 1.00
0.30 O
ATOM 1764 CB CYS B 92 -13.625 -56.786 20.050 1.00
0.30 C
91
ATOM 1765 SG CYS B 92 -14.069 -58.019 21.304 1.00

0.30 S
ATOM 1766 N PRO B 93 -13.545 -55.007 17.274 1.00
0.75 N
ATOM 1767 CA PRO B 93 -13.064 -54.105 16.228 1.00
0.75 C
ATOM 1768 C PRO B 93 -11.772 -53.440 16.639 1.00
0.75 C
ATOM 1769 O PRO B 93 -11.200 -53.758 17.685 1.00
0.75 O
ATOM 1770 CB PRO B 93 -14.193 -53.064 16.128 1.00
0.75 C
ATOM 1771 CG PRO B 93 -14.663 -52.899 17.571 1.00
0.75 C
ATOM 1772 CD PRO B 93 -14.388 -54.270 18.202 1.00
0.75 C
ATOM 1773 N THR B 94 -11.314 -52.479 15.831 1.00
0.78 N
ATOM 1774 CA THR B 94 -10.080 -51.756 16.018 1.00
0.78 C
ATOM 1775 C THR B 94 -10.440 -50.321 16.250 1.00
0.78 C
ATOM 1776 O THR B 94 -11.079 -49.692 15.396 1.00
0.78 O
ATOM 1777 CB THR B 94 -9.206 -51.808 14.787 1.00
0.78 C
ATOM 1778 OG1 THR B 94 -8.760 -53.139 14.591 1.00
0.78 O
ATOM 1779 CG2 THR B 94 -7.952 -50.937 14.936 1.00
0.78 C
ATOM 1780 N LYS B 95 -10.065 -49.749 17.409 1.00
0.77 N
ATOM 1781 CA LYS B 95 -10.178 -48.330 17.685 1.00
0.77 C
ATOM 1782 C LYS B 95 -9.247 -47.493 16.830 1.00
0.77 C
ATOM 1783 O LYS B 95 -8.065 -47.823 16.683 1.00
0.77 O
ATOM 1784 CB LYS B 95 -9.913 -48.040 19.189 1.00
0.77 C
ATOM 1785 CG LYS B 95 -11.148 -47.456 19.888 1.00
0.77 C
ATOM 1786 CD LYS B 95 -11.055 -47.499 21.425 1.00
0.77 C
ATOM 1787 CE LYS B 95 -12.383 -47.813 22.133 1.00
0.77 C
92
ATOM 1788 NZ LYS B 95 -13.489 -46.996 21.582 1.00

0.77 N
ATOM 1789 N VAL B 96 -9.722 -46.370 16.280 1.00
0.83 N
ATOM 1790 CA VAL B 96 -8.886 -45.422 15.586 1.00
0.83 C
ATOM 1791 C VAL B 96 -8.703 -44.270 16.557 1.00
0.83 C
ATOM 1792 O VAL B 96 -9.667 -43.779 17.162 1.00
0.83 O
ATOM 1793 CB VAL B 96 -9.466 -44.989 14.239 1.00
0.83 C
ATOM 1794 CG1 VAL B 96 -8.499 -44.025 13.519 1.00
0.83 C
ATOM 1795 CG2 VAL B 96 -9.701 -46.244 13.365 1.00
0.83 C
ATOM 1796 N ASN B 97 -7.451 -43.858 16.801 1.00
0.83 N
ATOM 1797 CA ASN B 97 -7.123 -42.785 17.706 1.00
0.83 C
ATOM 1798 C ASN B 97 -5.823 -42.179 17.191 1.00
0.83 C
ATOM 1799 O ASN B 97 -4.735 -42.686 17.473 1.00
0.83 O
ATOM 1800 CB ASN B 97 -6.992 -43.353 19.146 1.00
0.83 C
ATOM 1801 CG ASN B 97 -6.878 -42.263 20.200 1.00
0.83 C
ATOM 1802 OD1 ASN B 97 -7.035 -41.064 19.955 1.00
0.83 O
ATOM 1803 ND2 ASN B 97 -6.618 -42.697 21.456 1.00
0.83 N
ATOM 1804 N ILE B 98 -5.908 -41.121 16.364 1.00
0.85 N
ATOM 1805 CA ILE B 98 -4.763 -40.506 15.709 1.00
0.85 C
ATOM 1806 C ILE B 98 -4.884 -39.008 15.879 1.00
0.85 C
ATOM 1807 O ILE B 98 -5.983 -38.456 15.921 1.00
0.85 O
ATOM 1808 CB ILE B 98 -4.699 -40.885 14.217 1.00
0.85 C
ATOM 1809 CG1 ILE B 98 -4.273 -42.359 14.036 1.00
0.85 C
ATOM 1810 CG2 ILE B 98 -3.809 -39.951 13.353 1.00
0.85 C
93
ATOM 1811 CD1 ILE B 98 -4.676 -42.913 12.664 1.00

0.85 C
ATOM 1812 N THR B 99 -3.744 -38.309 15.986 1.00
0.85 N
ATOM 1813 CA THR B 99 -3.664 -36.862 15.916 1.00
0.85 C
ATOM 1814 C THR B 99 -2.578 -36.589 14.891 1.00
0.85 C
ATOM 1815 O THR B 99 -1.487 -37.149 15.012 1.00
0.85 O
ATOM 1816 CB THR B 99 -3.314 -36.208 17.249 1.00
0.85 C
ATOM 1817 OG1 THR B 99 -4.354 -36.408 18.199 1.00
0.85 O
ATOM 1818 CG2 THR B 99 -3.194 -34.689 17.103 1.00
0.85 C
ATOM 1819 N ASP B 100 -2.830 -35.764 13.851 1.00
0.85 N
ATOM 1820 CA ASP B 100 -1.856 -35.454 12.816 1.00
0.85 C
ATOM 1821 C ASP B 100 -1.965 -33.965 12.508 1.00
0.85 C
ATOM 1822 O ASP B 100 -3.061 -33.401 12.495 1.00
0.85 O
ATOM 1823 CB ASP B 100 -2.100 -36.286 11.521 1.00
0.85 C
ATOM 1824 CG ASP B 100 -0.996 -36.105 10.500 1.00
0.85 C
ATOM 1825 OD1 ASP B 100 0.132 -36.562 10.771 1.00
0.85 O
ATOM 1826 OD2 ASP B 100 -1.229 -35.503 9.420 1.00
0.85 O
ATOM 1827 N SER B 101 -0.819 -33.290 12.282 1.00
0.82 N
ATOM 1828 CA SER B 101 -0.755 -31.839 12.093 1.00
0.82 C
ATOM 1829 C SER B 101 -0.512 -31.454 10.662 1.00
0.82 C
ATOM 1830 O SER B 101 -0.352 -30.270 10.353 1.00
0.82 O
ATOM 1831 CB SER B 101 0.417 -31.168 12.857 1.00
0.82 C
ATOM 1832 OG SER B 101 0.515 -31.663 14.191 1.00
0.82 O
ATOM 1833 N LYS B 102 -0.393 -32.439 9.762 1.00
0.80 N
94
ATOM 1834 CA LYS B 102 -0.184 -32.194 8.359 1.00

0.80 C
ATOM 1835 C LYS B 102 -1.496 -32.183 7.607 1.00
0.80 C
ATOM 1836 O LYS B 102 -1.741 -31.300 6.791 1.00
0.80 O
ATOM 1837 CB LYS B 102 0.703 -33.317 7.790 1.00
0.80 C
ATOM 1838 CG LYS B 102 2.192 -33.287 8.167 1.00
0.80 C
ATOM 1839 CD LYS B 102 2.914 -32.003 7.734 1.00
0.80 C
ATOM 1840 CE LYS B 102 4.395 -32.040 8.098 1.00
0.80 C
ATOM 1841 NZ LYS B 102 5.031 -30.741 7.784 1.00
0.80 N
ATOM 1842 N ILE B 103 -2.382 -33.164 7.850 1.00
0.84 N
ATOM 1843 CA ILE B 103 -3.759 -33.093 7.387 1.00
0.84 C
ATOM 1844 C ILE B 103 -4.512 -31.940 8.032 1.00
0.84 C
ATOM 1845 O ILE B 103 -4.258 -31.562 9.177 1.00
0.84 O
ATOM 1846 CB ILE B 103 -4.571 -34.370 7.616 1.00
0.84 C
ATOM 1847 CG1 ILE B 103 -4.668 -34.729 9.117 1.00
0.84 C
ATOM 1848 CG2 ILE B 103 -3.933 -35.524 6.820 1.00
0.84 C
ATOM 1849 CD1 ILE B 103 -5.700 -35.815 9.451 1.00
0.84 C
ATOM 1850 N THR B 104 -5.477 -31.347 7.324 1.00
0.85 N
ATOM 1851 CA THR B 104 -6.287 -30.279 7.870 1.00
0.85 C
ATOM 1852 C THR B 104 -7.696 -30.515 7.369 1.00
0.85 C
ATOM 1853 O THR B 104 -7.933 -31.371 6.514 1.00
0.85 O
ATOM 1854 CB THR B 104 -5.808 -28.888 7.448 1.00
0.85 C
ATOM 1855 OG1 THR B 104 -5.740 -28.791 6.036 1.00
0.85 O
ATOM 1856 CG2 THR B 104 -4.398 -28.596 7.991 1.00
0.85 C
95
ATOM 1857 N LEU B 105 -8.696 -29.778 7.885 1.00

0.84 N
ATOM 1858 CA LEU B 105 -10.029 -29.752 7.311 1.00
0.84 C
ATOM 1859 C LEU B 105 -10.267 -28.418 6.583 1.00
0.84 C
ATOM 1860 O LEU B 105 -11.364 -28.132 6.104 1.00
0.84 O
ATOM 1861 CB LEU B 105 -11.076 -30.010 8.432 1.00
0.84 C
ATOM 1862 CG LEU B 105 -10.878 -31.328 9.236 1.00
0.84 C
ATOM 1863 CD1 LEU B 105 -12.001 -31.587 10.256 1.00
0.84 C
ATOM 1864 CD2 LEU B 105 -10.794 -32.566 8.333 1.00
0.84 C
ATOM 1865 N PHE B 106 -9.207 -27.583 6.428 1.00
0.79 N
ATOM 1866 CA PHE B 106 -9.251 -26.278 5.786 1.00
0.79 C
ATOM 1867 C PHE B 106 -7.958 -25.986 5.059 1.00
0.79 C
ATOM 1868 O PHE B 106 -6.873 -26.363 5.511 1.00
0.79 O
ATOM 1869 CB PHE B 106 -9.353 -25.100 6.787 1.00
0.79 C
ATOM 1870 CG PHE B 106 -10.698 -25.030 7.408 1.00
0.79 C
ATOM 1871 CD1 PHE B 106 -11.814 -24.720 6.620 1.00
0.79 C
ATOM 1872 CD2 PHE B 106 -10.857 -25.223 8.785 1.00
0.79 C
ATOM 1873 CE1 PHE B 106 -13.082 -24.614 7.200 1.00
0.79 C
ATOM 1874 CE2 PHE B 106 -12.117 -25.079 9.373 1.00
0.79 C
ATOM 1875 CZ PHE B 106 -13.233 -24.790 8.579 1.00
0.79 C
ATOM 1876 N GLY B 107 -8.015 -25.247 3.935 1.00
0.77 N
ATOM 1877 CA GLY B 107 -6.816 -24.838 3.212 1.00
0.77 C
ATOM 1878 C GLY B 107 -6.280 -25.849 2.229 1.00
0.77 C
ATOM 1879 O GLY B 107 -6.965 -26.794 1.835 1.00
0.77 O
96
ATOM 1880 N ALA B 108 -5.010 -25.642 1.826 1.00

0.76 N
ATOM 1881 CA ALA B 108 -4.204 -26.440 0.910 1.00
0.76 C
ATOM 1882 C ALA B 108 -4.210 -27.947 1.194 1.00
0.76 C
ATOM 1883 O ALA B 108 -4.392 -28.768 0.294 1.00
0.76 O
ATOM 1884 CB ALA B 108 -2.749 -25.915 0.999 1.00
0.76 C
ATOM 1885 N ASP B 109 -4.078 -28.304 2.487 1.00
0.80 N
ATOM 1886 CA ASP B 109 -3.888 -29.642 2.991 1.00
0.80 C
ATOM 1887 C ASP B 109 -5.237 -30.263 3.399 1.00
0.80 C
ATOM 1888 O ASP B 109 -5.301 -31.340 3.997 1.00
0.80 O
ATOM 1889 CB ASP B 109 -2.897 -29.571 4.199 1.00
0.80 C
ATOM 1890 CG ASP B 109 -1.537 -28.958 3.838 1.00
0.80 C
ATOM 1891 OD1 ASP B 109 -1.263 -28.753 2.628 1.00
0.80 O
ATOM 1892 OD2 ASP B 109 -0.737 -28.673 4.765 1.00
0.80 O
ATOM 1893 N SER B 110 -6.378 -29.600 3.060 1.00
0.83 N
ATOM 1894 CA SER B 110 -7.718 -30.101 3.363 1.00
0.83 C
ATOM 1895 C SER B 110 -8.007 -31.464 2.758 1.00
0.83 C
ATOM 1896 O SER B 110 -7.836 -31.720 1.557 1.00
0.83 O
ATOM 1897 CB SER B 110 -8.886 -29.107 3.051 1.00
0.83 C
ATOM 1898 OG SER B 110 -10.180 -29.631 3.375 1.00
0.83 O
ATOM 1899 N ILE B 111 -8.480 -32.376 3.628 1.00
0.85 N
ATOM 1900 CA ILE B 111 -8.840 -33.729 3.266 1.00
0.85 C
ATOM 1901 C ILE B 111 -10.329 -33.859 2.987 1.00
0.85 C
ATOM 1902 O ILE B 111 -10.813 -34.934 2.634 1.00
0.85 O
97
ATOM 1903 CB ILE B 111 -8.405 -34.743 4.324 1.00

0.85 C
ATOM 1904 CG1 ILE B 111 -9.140 -34.557 5.674 1.00
0.85 C
ATOM 1905 CG2 ILE B 111 -6.863 -34.666 4.442 1.00
0.85 C
ATOM 1906 CD1 ILE B 111 -8.815 -35.637 6.712 1.00
0.85 C
ATOM 1907 N ILE B 112 -11.110 -32.760 3.097 1.00
0.84 N
ATOM 1908 CA ILE B 112 -12.531 -32.753 2.769 1.00
0.84 C
ATOM 1909 C ILE B 112 -12.753 -33.084 1.303 1.00
0.84 C
ATOM 1910 O ILE B 112 -12.120 -32.525 0.405 1.00
0.84 O
ATOM 1911 CB ILE B 112 -13.216 -31.424 3.101 1.00
0.84 C
ATOM 1912 CG1 ILE B 112 -13.043 -31.009 4.585 1.00
0.84 C
ATOM 1913 CG2 ILE B 112 -14.711 -31.441 2.711 1.00
0.84 C
ATOM 1914 CD1 ILE B 112 -13.650 -31.971 5.609 1.00
0.84 C
ATOM 1915 N GLY B 113 -13.656 -34.040 1.015 1.00
0.83 N
ATOM 1916 CA GLY B 113 -13.923 -34.465 -0.345 1.00
0.83 C
ATOM 1917 C GLY B 113 -12.897 -35.417 -0.894 1.00
0.83 C
ATOM 1918 O GLY B 113 -12.880 -35.682 -2.091 1.00
0.83 O
ATOM 1919 N ARG B 114 -11.997 -35.949 -0.056 1.00
0.78 N
ATOM 1920 CA ARG B 114 -11.011 -36.929 -0.452 1.00
0.78 C
ATOM 1921 C ARG B 114 -11.377 -38.272 0.169 1.00
0.78 C
ATOM 1922 O ARG B 114 -12.375 -38.373 0.881 1.00
0.78 O
ATOM 1923 CB ARG B 114 -9.593 -36.471 -0.052 1.00
0.78 C
ATOM 1924 CG ARG B 114 -9.273 -35.041 -0.521 1.00
0.78 C
ATOM 1925 CD ARG B 114 -7.785 -34.716 -0.461 1.00
0.78 C
98
ATOM 1926 NE ARG B 114 -7.652 -33.296 -0.896 1.00

0.78 N
ATOM 1927 CZ ARG B 114 -7.436 -32.909 -2.162 1.00
0.78 C
ATOM 1928 NH1 ARG B 114 -7.468 -33.743 -3.196 1.00
0.78 N
ATOM 1929 NH2 ARG B 114 -7.180 -31.622 -2.405 1.00
0.78 N
ATOM 1930 N THR B 115 -10.626 -39.358 -0.093 1.00
0.88 N
ATOM 1931 CA THR B 115 -11.051 -40.705 0.313 1.00
0.88 C
ATOM 1932 C THR B 115 -10.117 -41.300 1.332 1.00
0.88 C
ATOM 1933 O THR B 115 -8.895 -41.304 1.150 1.00
0.88 O
ATOM 1934 CB THR B 115 -11.119 -41.675 -0.858 1.00
0.88 C
ATOM 1935 OG1 THR B 115 -12.265 -41.419 -1.651 1.00
0.88 O
ATOM 1936 CG2 THR B 115 -11.266 -43.158 -0.486 1.00
0.88 C
ATOM 1937 N VAL B 116 -10.657 -41.872 2.424 1.00
0.91 N
ATOM 1938 CA VAL B 116 -9.919 -42.673 3.399 1.00
0.91 C
ATOM 1939 C VAL B 116 -9.912 -44.087 2.911 1.00
0.91 C
ATOM 1940 O VAL B 116 -10.952 -44.604 2.503 1.00
0.91 O
ATOM 1941 CB VAL B 116 -10.571 -42.687 4.776 1.00
0.91 C
ATOM 1942 CG1 VAL B 116 -10.023 -43.713 5.800 1.00
0.91 C
ATOM 1943 CG2 VAL B 116 -10.384 -41.285 5.342 1.00
0.91 C
ATOM 1944 N VAL B 117 -8.743 -44.737 2.920 1.00
0.91 N
ATOM 1945 CA VAL B 117 -8.592 -46.104 2.479 1.00
0.91 C
ATOM 1946 C VAL B 117 -7.951 -46.923 3.579 1.00
0.91 C
ATOM 1947 O VAL B 117 -6.971 -46.496 4.200 1.00
0.91 O
ATOM 1948 CB VAL B 117 -7.727 -46.189 1.229 1.00
0.91 C
99
ATOM 1949 CG1 VAL B 117 -7.565 -47.641 0.742 1.00

0.91 C
ATOM 1950 CG2 VAL B 117 -8.354 -45.340 0.106 1.00
0.91 C
ATOM 1951 N VAL B 118 -8.485 -48.131 3.828 1.00
0.90 N
ATOM 1952 CA VAL B 118 -7.880 -49.144 4.668 1.00
0.90 C
ATOM 1953 C VAL B 118 -7.352 -50.193 3.712 1.00
0.90 C
ATOM 1954 O VAL B 118 -8.025 -50.566 2.744 1.00
0.90 O
ATOM 1955 CB VAL B 118 -8.856 -49.800 5.645 1.00
0.90 C
ATOM 1956 CG1 VAL B 118 -8.099 -50.755 6.591 1.00
0.90 C
ATOM 1957 CG2 VAL B 118 -9.578 -48.721 6.475 1.00
0.90 C
ATOM 1958 N HIS B 119 -6.120 -50.670 3.927 1.00
0.85 N
ATOM 1959 CA HIS B 119 -5.478 -51.647 3.078 1.00
0.85 C
ATOM 1960 C HIS B 119 -5.420 -53.004 3.736 1.00
0.85 C
ATOM 1961 O HIS B 119 -5.627 -53.099 4.941 1.00
0.85 O
ATOM 1962 CB HIS B 119 -4.062 -51.219 2.724 1.00
0.85 C
ATOM 1963 CG HIS B 119 -4.097 -50.001 1.889 1.00
0.85 C
ATOM 1964 ND1 HIS B 119 -3.933 -50.122 0.533 1.00
0.85 N
ATOM 1965 CD2 HIS B 119 -4.212 -48.696 2.242 1.00
0.85 C
ATOM 1966 CE1 HIS B 119 -3.934 -48.897 0.072 1.00
0.85 C
ATOM 1967 NE2 HIS B 119 -4.099 -47.984 1.062 1.00
0.85 N
ATOM 1968 N ALA B 120 -5.182 -54.069 2.949 1.00
0.88 N
ATOM 1969 CA ALA B 120 -5.038 -55.453 3.368 1.00
0.88 C
ATOM 1970 C ALA B 120 -3.784 -55.778 4.159 1.00
0.88 C
ATOM 1971 O ALA B 120 -3.816 -56.590 5.087 1.00
0.88 O
100
ATOM 1972 CB ALA B 120 -5.050 -56.368 2.125 1.00

0.88 C
ATOM 1973 N ASP B 121 -2.655 -55.164 3.766 1.00
0.86 N
ATOM 1974 CA ASP B 121 -1.355 -55.457 4.292 1.00
0.86 C
ATOM 1975 C ASP B 121 -0.842 -54.250 5.048 1.00
0.86 C
ATOM 1976 O ASP B 121 -1.367 -53.126 5.005 1.00
0.86 O
ATOM 1977 CB ASP B 121 -0.346 -55.855 3.174 1.00
0.86 C
ATOM 1978 CG ASP B 121 -0.866 -57.030 2.354 1.00
0.86 C
ATOM 1979 OD1 ASP B 121 -1.246 -58.050 2.983 1.00
0.86 O
ATOM 1980 OD2 ASP B 121 -0.862 -56.924 1.102 1.00
0.86 O
ATOM 1981 N ALA B 122 0.223 -54.486 5.821 1.00
0.89 N
ATOM 1982 CA ALA B 122 0.984 -53.470 6.502 1.00
0.89 C
ATOM 1983 C ALA B 122 1.658 -52.486 5.555 1.00
0.89 C
ATOM 1984 O ALA B 122 2.351 -52.872 4.617 1.00
0.89 O
ATOM 1985 CB ALA B 122 2.021 -54.124 7.445 1.00
0.89 C
ATOM 1986 N ASP B 123 1.480 -51.173 5.808 1.00
0.88 N
ATOM 1987 CA ASP B 123 2.362 -50.118 5.371 1.00
0.88 C
ATOM 1988 C ASP B 123 3.750 -50.305 5.996 1.00
0.88 C
ATOM 1989 O ASP B 123 3.862 -50.476 7.215 1.00
0.88 O
ATOM 1990 CB ASP B 123 1.679 -48.790 5.800 1.00
0.88 C
ATOM 1991 CG ASP B 123 2.254 -47.572 5.118 1.00
0.88 C
ATOM 1992 OD1 ASP B 123 1.510 -46.572 5.004 1.00
0.88 O
ATOM 1993 OD2 ASP B 123 3.440 -47.612 4.710 1.00
0.88 O
ATOM 1994 N ASP B 124 4.824 -50.290 5.184 1.00
0.87 N
101
ATOM 1995 CA ASP B 124 6.186 -50.438 5.635 1.00

0.87 C
ATOM 1996 C ASP B 124 6.816 -49.091 5.930 1.00
0.87 C
ATOM 1997 O ASP B 124 7.963 -49.018 6.378 1.00
0.87 O
ATOM 1998 CB ASP B 124 7.028 -51.248 4.601 1.00
0.87 C
ATOM 1999 CG ASP B 124 7.310 -50.593 3.247 1.00
0.87 C
ATOM 2000 OD1 ASP B 124 7.216 -49.349 3.098 1.00
0.87 O
ATOM 2001 OD2 ASP B 124 7.731 -51.367 2.352 1.00
0.87 O
ATOM 2002 N LEU B 125 6.056 -47.997 5.689 1.00
0.88 N
ATOM 2003 CA LEU B 125 6.387 -46.649 6.082 1.00
0.88 C
ATOM 2004 C LEU B 125 7.502 -46.045 5.246 1.00
0.88 C
ATOM 2005 O LEU B 125 8.170 -45.093 5.657 1.00
0.88 O
ATOM 2006 CB LEU B 125 6.692 -46.570 7.595 1.00
0.88 C
ATOM 2007 CG LEU B 125 5.573 -47.111 8.526 1.00
0.88 C
ATOM 2008 CD1 LEU B 125 5.995 -47.008 10.004 1.00
0.88 C
ATOM 2009 CD2 LEU B 125 4.134 -46.613 8.265 1.00
0.88 C
ATOM 2010 N GLY B 126 7.726 -46.577 4.030 1.00
0.88 N
ATOM 2011 CA GLY B 126 8.756 -46.082 3.121 1.00
0.88 C
ATOM 2012 C GLY B 126 10.127 -46.586 3.490 1.00
0.88 C
ATOM 2013 O GLY B 126 11.139 -45.970 3.084 1.00
0.88 O
ATOM 2014 N GLN B 127 10.208 -47.679 4.264 1.00
0.82 N
ATOM 2015 CA GLN B 127 11.418 -48.335 4.766 1.00
0.82 C
ATOM 2016 C GLN B 127 11.563 -49.739 4.203 1.00
0.82 C
ATOM 2017 O GLN B 127 12.494 -50.477 4.543 1.00
0.82 O
102
ATOM 2018 CB GLN B 127 11.442 -48.399 6.320 1.00

0.82 C
ATOM 2019 CG GLN B 127 11.377 -47.011 6.999 1.00
0.82 C
ATOM 2020 CD GLN B 127 12.611 -46.163 6.694 1.00
0.82 C
ATOM 2021 OE1 GLN B 127 13.722 -46.660 6.499 1.00
0.82 O
ATOM 2022 NE2 GLN B 127 12.439 -44.820 6.676 1.00
0.82 N
ATOM 2023 N GLY B 128 10.670 -50.131 3.276 1.00
0.85 N
ATOM 2024 CA GLY B 128 10.869 -51.282 2.398 1.00
0.85 C
ATOM 2025 C GLY B 128 11.947 -51.137 1.339 1.00
0.85 C
ATOM 2026 O GLY B 128 12.289 -50.035 0.905 1.00
0.85 O
ATOM 2027 N GLY B 129 12.457 -52.275 0.832 1.00
0.73 N
ATOM 2028 CA GLY B 129 13.554 -52.353 -0.138 1.00
0.73 C
ATOM 2029 C GLY B 129 13.144 -52.541 -1.576 1.00
0.73 C
ATOM 2030 O GLY B 129 13.730 -53.375 -2.265 1.00
0.73 O
ATOM 2031 N HIS B 130 12.144 -51.786 -2.062 1.00
0.69 N
ATOM 2032 CA HIS B 130 11.646 -51.841 -3.429 1.00
0.69 C
ATOM 2033 C HIS B 130 10.958 -50.538 -3.762 1.00
0.69 C
ATOM 2034 O HIS B 130 10.638 -49.754 -2.857 1.00
0.69 O
ATOM 2035 CB HIS B 130 10.623 -52.983 -3.679 1.00
0.69 C
ATOM 2036 CG HIS B 130 11.279 -54.306 -3.855 1.00
0.69 C
ATOM 2037 ND1 HIS B 130 11.883 -54.538 -5.068 1.00
0.69 N
ATOM 2038 CD2 HIS B 130 11.424 -55.383 -3.045 1.00
0.69 C
ATOM 2039 CE1 HIS B 130 12.390 -55.738 -4.982 1.00
0.69 C
ATOM 2040 NE2 HIS B 130 12.141 -56.309 -3.776 1.00
0.69 N
103
ATOM 2041 N GLU B 131 10.678 -50.241 -5.034 1.00

0.75 N
ATOM 2042 CA GLU B 131 10.045 -49.033 -5.553 1.00
0.75 C
ATOM 2043 C GLU B 131 8.656 -48.753 -4.986 1.00
0.75 C
ATOM 2044 O GLU B 131 8.299 -47.613 -4.706 1.00
0.75 O
ATOM 2045 CB GLU B 131 9.942 -49.092 -7.101 1.00
0.75 C
ATOM 2046 CG GLU B 131 11.310 -49.208 -7.828 1.00
0.75 C
ATOM 2047 CD GLU B 131 11.894 -50.621 -7.870 1.00
0.75 C
ATOM 2048 OE1 GLU B 131 11.248 -51.548 -7.317 1.00
0.75 O
ATOM 2049 OE2 GLU B 131 13.006 -50.758 -8.433 1.00
0.75 O
ATOM 2050 N LEU B 132 7.844 -49.813 -4.768 1.00
0.86 N
ATOM 2051 CA LEU B 132 6.523 -49.714 -4.148 1.00
0.86 C
ATOM 2052 C LEU B 132 6.517 -49.121 -2.747 1.00
0.86 C
ATOM 2053 O LEU B 132 5.573 -48.450 -2.353 1.00
0.86 O
ATOM 2054 CB LEU B 132 5.775 -51.068 -4.092 1.00
0.86 C
ATOM 2055 CG LEU B 132 5.097 -51.524 -5.399 1.00
0.86 C
ATOM 2056 CD1 LEU B 132 4.336 -52.832 -5.126 1.00
0.86 C
ATOM 2057 CD2 LEU B 132 4.120 -50.475 -5.963 1.00
0.86 C
ATOM 2058 N SER B 133 7.585 -49.320 -1.962 1.00
0.87 N
ATOM 2059 CA SER B 133 7.741 -48.772 -0.623 1.00
0.87 C
ATOM 2060 C SER B 133 7.671 -47.265 -0.617 1.00
0.87 C
ATOM 2061 O SER B 133 6.978 -46.651 0.189 1.00
0.87 O
ATOM 2062 CB SER B 133 9.106 -49.265 -0.088 1.00
0.87 C
ATOM 2063 OG SER B 133 9.709 -48.550 0.986 1.00
0.87 O
104
ATOM 2064 N LYS B 134 8.311 -46.616 -1.602 1.00

0.83 N
ATOM 2065 CA LYS B 134 8.401 -45.176 -1.625 1.00
0.83 C
ATOM 2066 C LYS B 134 7.171 -44.530 -2.233 1.00
0.83 C
ATOM 2067 O LYS B 134 7.019 -43.316 -2.177 1.00
0.83 O
ATOM 2068 CB LYS B 134 9.682 -44.750 -2.379 1.00
0.83 C
ATOM 2069 CG LYS B 134 10.983 -45.128 -1.641 1.00
0.83 C
ATOM 2070 CD LYS B 134 11.153 -44.364 -0.312 1.00
0.83 C
ATOM 2071 CE LYS B 134 12.443 -44.698 0.443 1.00
0.83 C
ATOM 2072 NZ LYS B 134 12.435 -44.034 1.768 1.00
0.83 N
ATOM 2073 N SER B 135 6.211 -45.327 -2.739 1.00
0.88 N
ATOM 2074 CA SER B 135 4.995 -44.788 -3.327 1.00
0.88 C
ATOM 2075 C SER B 135 3.716 -45.245 -2.650 1.00
0.88 C
ATOM 2076 O SER B 135 2.765 -44.461 -2.565 1.00
0.88 O
ATOM 2077 CB SER B 135 4.887 -45.185 -4.818 1.00
0.88 C
ATOM 2078 OG SER B 135 4.881 -46.607 -5.016 1.00
0.88 O
ATOM 2079 N THR B 136 3.637 -46.505 -2.180 1.00
0.88 N
ATOM 2080 CA THR B 136 2.440 -47.086 -1.580 1.00
0.88 C
ATOM 2081 C THR B 136 2.660 -47.625 -0.184 1.00
0.88 C
ATOM 2082 O THR B 136 1.698 -47.984 0.498 1.00
0.88 O
ATOM 2083 CB THR B 136 1.858 -48.268 -2.384 1.00
0.88 C
ATOM 2084 OG1 THR B 136 2.665 -49.444 -2.417 1.00
0.88 O
ATOM 2085 CG2 THR B 136 1.676 -47.863 -3.851 1.00
0.88 C
ATOM 2086 N GLY B 137 3.935 -47.772 0.233 1.00
0.90 N
105
ATOM 2087 CA GLY B 137 4.332 -48.427 1.477 1.00

0.90 C
ATOM 2088 C GLY B 137 4.130 -49.911 1.464 1.00
0.90 C
ATOM 2089 O GLY B 137 4.057 -50.551 2.504 1.00
0.90 O
ATOM 2090 N ASN B 138 3.938 -50.501 0.269 1.00
0.87 N
ATOM 2091 CA ASN B 138 3.668 -51.916 0.107 1.00
0.87 C
ATOM 2092 C ASN B 138 2.383 -52.386 0.796 1.00
0.87 C
ATOM 2093 O ASN B 138 2.210 -53.574 1.046 1.00
0.87 O
ATOM 2094 CB ASN B 138 4.902 -52.807 0.448 1.00
0.87 C
ATOM 2095 CG ASN B 138 5.908 -52.772 -0.686 1.00
0.87 C
ATOM 2096 OD1 ASN B 138 6.948 -52.093 -0.729 1.00
0.87 O
ATOM 2097 ND2 ASN B 138 5.620 -53.569 -1.736 1.00
0.87 N
ATOM 2098 N ALA B 139 1.401 -51.476 1.014 1.00
0.89 N
ATOM 2099 CA ALA B 139 0.197 -51.772 1.773 1.00
0.89 C
ATOM 2100 C ALA B 139 -0.805 -52.679 1.049 1.00
0.89 C
ATOM 2101 O ALA B 139 -1.712 -53.250 1.647 1.00
0.89 O
ATOM 2102 CB ALA B 139 -0.465 -50.439 2.193 1.00
0.89 C
ATOM 2103 N GLY B 140 -0.621 -52.862 -0.272 1.00
0.87 N
ATOM 2104 CA GLY B 140 -1.363 -53.823 -1.073 1.00
0.87 C
ATOM 2105 C GLY B 140 -2.776 -53.476 -1.448 1.00
0.87 C
ATOM 2106 O GLY B 140 -3.059 -52.384 -1.991 1.00
0.87 O
ATOM 2107 N ALA B 141 -3.693 -54.434 -1.307 1.00
0.88 N
ATOM 2108 CA ALA B 141 -5.092 -54.307 -1.657 1.00
0.88 C
ATOM 2109 C ALA B 141 -5.869 -53.292 -0.828 1.00
0.88 C
106
ATOM 2110 O ALA B 141 -5.710 -53.208 0.382 1.00

0.88 O
ATOM 2111 CB ALA B 141 -5.816 -55.662 -1.555 1.00
0.88 C
ATOM 2112 N ARG B 142 -6.789 -52.541 -1.458 1.00
0.81 N
ATOM 2113 CA ARG B 142 -7.630 -51.573 -0.786 1.00
0.81 C
ATOM 2114 C ARG B 142 -8.919 -52.266 -0.387 1.00
0.81 C
ATOM 2115 O ARG B 142 -9.775 -52.502 -1.236 1.00
0.81 O
ATOM 2116 CB ARG B 142 -7.965 -50.415 -1.758 1.00
0.81 C
ATOM 2117 CG ARG B 142 -6.714 -49.741 -2.351 1.00
0.81 C
ATOM 2118 CD ARG B 142 -7.047 -48.622 -3.340 1.00
0.81 C
ATOM 2119 NE ARG B 142 -5.741 -48.114 -3.847 1.00
0.81 N
ATOM 2120 CZ ARG B 142 -5.592 -46.905 -4.430 1.00
0.81 C
ATOM 2121 NH1 ARG B 142 -6.592 -46.087 -4.702 1.00
0.81 N
ATOM 2122 NH2 ARG B 142 -4.378 -46.441 -4.701 1.00
0.81 N
ATOM 2123 N ILE B 143 -9.071 -52.617 0.905 1.00
0.85 N
ATOM 2124 CA ILE B 143 -10.141 -53.477 1.379 1.00
0.85 C
ATOM 2125 C ILE B 143 -11.340 -52.683 1.842 1.00
0.85 C
ATOM 2126 O ILE B 143 -12.449 -53.192 1.980 1.00
0.85 O
ATOM 2127 CB ILE B 143 -9.654 -54.372 2.519 1.00
0.85 C
ATOM 2128 CG1 ILE B 143 -9.156 -53.600 3.772 1.00
0.85 C
ATOM 2129 CG2 ILE B 143 -8.602 -55.335 1.926 1.00
0.85 C
ATOM 2130 CD1 ILE B 143 -8.894 -54.512 4.978 1.00
0.85 C
ATOM 2131 N GLY B 144 -11.183 -51.370 2.066 1.00
0.89 N
ATOM 2132 CA GLY B 144 -12.330 -50.571 2.417 1.00
0.89 C
107
ATOM 2133 C GLY B 144 -12.031 -49.136 2.202 1.00

0.89 C
ATOM 2134 O GLY B 144 -10.891 -48.689 2.358 1.00
0.89 O
ATOM 2135 N CYS B 145 -13.057 -48.359 1.849 1.00
0.87 N
ATOM 2136 CA CYS B 145 -12.873 -46.949 1.628 1.00
0.87 C
ATOM 2137 C CYS B 145 -14.161 -46.176 1.788 1.00
0.87 C
ATOM 2138 O CYS B 145 -15.256 -46.738 1.829 1.00
0.87 O
ATOM 2139 CB CYS B 145 -12.227 -46.626 0.248 1.00
0.87 C
ATOM 2140 SG CYS B 145 -13.181 -47.168 -1.204 1.00
0.87 S
ATOM 2141 N GLY B 146 -14.035 -44.844 1.916 1.00
0.86 N
ATOM 2142 CA GLY B 146 -15.165 -43.936 1.943 1.00
0.86 C
ATOM 2143 C GLY B 146 -14.693 -42.534 1.689 1.00
0.86 C
ATOM 2144 O GLY B 146 -13.519 -42.215 1.898 1.00
0.86 O
ATOM 2145 N VAL B 147 -15.601 -41.645 1.257 1.00
0.84 N
ATOM 2146 CA VAL B 147 -15.309 -40.243 1.008 1.00
0.84 C
ATOM 2147 C VAL B 147 -15.455 -39.488 2.316 1.00
0.84 C
ATOM 2148 O VAL B 147 -16.384 -39.724 3.090 1.00
0.84 O
ATOM 2149 CB VAL B 147 -16.227 -39.635 -0.055 1.00
0.84 C
ATOM 2150 CG1 VAL B 147 -15.876 -38.156 -0.344 1.00
0.84 C
ATOM 2151 CG2 VAL B 147 -16.107 -40.442 -1.363 1.00
0.84 C
ATOM 2152 N ILE B 148 -14.518 -38.568 2.602 1.00
0.85 N
ATOM 2153 CA ILE B 148 -14.518 -37.713 3.770 1.00
0.85 C
ATOM 2154 C ILE B 148 -15.424 -36.526 3.526 1.00
0.85 C
ATOM 2155 O ILE B 148 -15.190 -35.692 2.646 1.00
0.85 O
108
ATOM 2156 CB ILE B 148 -13.121 -37.198 4.082 1.00

0.85 C
ATOM 2157 CG1 ILE B 148 -12.120 -38.353 4.257 1.00
0.85 C
ATOM 2158 CG2 ILE B 148 -13.127 -36.296 5.340 1.00
0.85 C
ATOM 2159 CD1 ILE B 148 -10.680 -37.853 4.108 1.00
0.85 C
ATOM 2160 N GLY B 149 -16.498 -36.423 4.315 1.00
0.84 N
ATOM 2161 CA GLY B 149 -17.516 -35.409 4.178 1.00
0.84 C
ATOM 2162 C GLY B 149 -17.603 -34.539 5.392 1.00
0.84 C
ATOM 2163 O GLY B 149 -17.227 -34.939 6.494 1.00
0.84 O
ATOM 2164 N ILE B 150 -18.133 -33.315 5.223 1.00
0.77 N
ATOM 2165 CA ILE B 150 -18.447 -32.362 6.280 1.00
0.77 C
ATOM 2166 C ILE B 150 -19.488 -32.951 7.210 1.00
0.77 C
ATOM 2167 O ILE B 150 -20.485 -33.506 6.746 1.00
0.77 O
ATOM 2168 CB ILE B 150 -18.944 -31.031 5.705 1.00
0.77 C
ATOM 2169 CG1 ILE B 150 -17.804 -30.342 4.920 1.00
0.77 C
ATOM 2170 CG2 ILE B 150 -19.471 -30.089 6.817 1.00
0.77 C
ATOM 2171 CD1 ILE B 150 -18.271 -29.111 4.132 1.00
0.77 C
ATOM 2172 N ALA B 151 -19.305 -32.837 8.535 1.00
0.80 N
ATOM 2173 CA ALA B 151 -20.221 -33.392 9.494 1.00
0.80 C
ATOM 2174 C ALA B 151 -20.706 -32.260 10.361 1.00
0.80 C
ATOM 2175 O ALA B 151 -20.099 -31.193 10.433 1.00
0.80 O
ATOM 2176 CB ALA B 151 -19.540 -34.493 10.334 1.00
0.80 C
ATOM 2177 N LYS B 152 -21.871 -32.456 10.996 1.00
0.60 N
ATOM 2178 CA LYS B 152 -22.451 -31.499 11.906 1.00
0.60 C
109
ATOM 2179 C LYS B 152 -21.590 -31.261 13.142 1.00

0.60 C
ATOM 2180 O LYS B 152 -20.915 -32.194 13.593 1.00
0.60 O
ATOM 2181 CB LYS B 152 -23.878 -31.981 12.240 1.00
0.60 C
ATOM 2182 CG LYS B 152 -24.736 -30.998 13.045 1.00
0.60 C
ATOM 2183 CD LYS B 152 -26.229 -31.373 13.051 1.00
0.60 C
ATOM 2184 CE LYS B 152 -26.472 -32.845 13.397 1.00
0.60 C
ATOM 2185 NZ LYS B 152 -27.915 -33.112 13.586 1.00
0.60 N
ATOM 2186 N VAL B 153 -21.578 -30.023 13.663 1.00
0.77 N
ATOM 2187 CA VAL B 153 -20.970 -29.557 14.903 1.00
0.77 C
ATOM 2188 C VAL B 153 -21.396 -30.398 16.164 1.00
0.77 C
ATOM 2189 O VAL B 153 -22.578 -30.811 16.231 1.00
0.77 O
ATOM 2190 CB VAL B 153 -21.313 -28.063 15.075 1.00
0.77 C
ATOM 2191 CG1 VAL B 153 -20.719 -27.468 16.365 1.00
0.77 C
ATOM 2192 CG2 VAL B 153 -20.791 -27.243 13.872 1.00
0.77 C
ATOM 2193 OXT VAL B 153 -20.498 -30.614 17.007 1.00
0.77 O
TER 2194 VAL B 153
HETATM 2195 ZN ZN _ 1 -34.239 -26.662 -0.999 1.00
22.65 ZN
HETATM 2196 ZN ZN _ 3 1.900 -42.304 1.077 1.00
22.30 ZN
HETATM 2197 CU CU _ 2 -32.895 -33.296 -1.338 1.00
23.00 CU
HETATM 2198 CU CU _ 4 -3.908 -46.052 1.025 1.00
22.30 CU
END

Homology Modelling

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Homology Modelling

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Course title: Bioinformatics colloquium

Submitted by: Attique-ur-Rehman

Submitted to: Dr.Qaiser Fatmi

HOMOLOGY MODELLING USING SWISS MODEL AS A WORKBENCH

Steps in homology model building process

HOMOLOGY MODELLING OF SUPEROXIDE DISMUTASE [CU-ZN]

HOMOLOGY MODEL OF SUPEROXIDE DISMUTASE

REMARK 1 TITL TOWARD THE ESTIMATION OF THE ABSOLUTE QUALITY

REMARK 2 Biology Group at the SIB Swiss Institute of

REMARK 3 MODT FALSE

REMARK 3 OSTAT homo-dimer

ATOM 16 CA LYS A 4 -13.644 -31.128 -10.851 1.00

ATOM 39 O CYS A 7 -21.338 -39.436 -8.523 1.00

ATOM 62 CG ASN A 10 -23.286 -45.387 -2.612 1.00

ATOM 85 O LYS A 14 -27.615 -44.243 -10.851 1.00

ATOM 108 CG2 VAL A 17 -24.822 -37.566 -10.737 1.00

ATOM 131 N GLU A 20 -18.040 -29.886 -12.968 1.00

ATOM 154 CG GLU A 22 -14.499 -24.091 -17.434 1.00

ATOM 177 O THR A 26 -18.696 -20.789 -11.751 1.00

ATOM 200 CG LYS A 29 -21.655 -28.655 -17.355 1.00

ATOM 223 C GLU A 33 -26.544 -40.957 -14.368 1.00

ATOM 246 O GLY A 36 -34.705 -46.819 -10.845 1.00

ATOM 269 N GLY A 40 -40.710 -40.351 -14.442 1.00

ATOM 292 CA GLY A 43 -36.012 -34.100 -6.683 1.00

ATOM 315 NE2 HIS A 45 -34.822 -30.839 -4.107 1.00

ATOM 338 CG GLU A 48 -24.893 -28.401 5.892 1.00

ATOM 361 CB ASP A 51 -22.909 -37.014 7.748 1.00

ATOM 384 CB ASN A 54 -28.258 -42.096 9.948 1.00

ATOM 407 CA SER A 58 -27.675 -37.855 8.122 1.00

ATOM 430 CA HIS A 62 -30.674 -28.779 1.735 1.00

ATOM 453 O ASN A 64 -27.901 -21.670 4.301 1.00

ATOM 476 OH TYR A 66 -23.054 -15.884 -1.871 1.00

ATOM 499 N HIS A 70 -36.855 -23.012 0.491 1.00

ATOM 522 CB PRO A 73 -32.187 -24.569 -10.358 1.00

ATOM 545 CG GLU A 76 -36.929 -14.230 -8.291 1.00

ATOM 568 N HIS A 79 -32.735 -22.443 -1.814 1.00

ATOM 591 CA ASP A 82 -31.600 -26.563 -5.068 1.00

ATOM 614 CB ASN A 85 -37.025 -32.394 -11.475 1.00

ATOM 637 C ALA A 88 -37.747 -40.307 -17.186 1.00

ATOM 660 CA CYS A 92 -33.706 -44.328 -21.596 1.00

ATOM 683 CB LYS A 95 -28.953 -37.403 -19.765 1.00

ATOM 706 O ILE A 98 -25.036 -28.435 -15.335 1.00

ATOM 729 O SER A 101 -23.647 -19.223 -8.703 1.00

ATOM 752 O THR A 104 -19.138 -25.679 -5.176 1.00

ATOM 775 N GLY A 107 -14.716 -21.842 -1.872 1.00

ATOM 798 N ILE A 111 -19.601 -27.106 -2.424 1.00

ATOM 821 O ARG A 114 -21.376 -34.278 -0.395 1.00

ATOM 844 CA VAL A 117 -29.465 -36.576 -2.867 1.00

ATOM 867 N ALA A 120 -37.538 -39.578 -4.228 1.00

ATOM 890 CG ASP A 123 -37.949 -29.626 -5.749 1.00

ATOM 913 N GLN A 127 -43.778 -24.396 -4.526 1.00

ATOM 936 ND1 HIS A 130 -50.390 -26.702 3.355 1.00

ATOM 959 C SER A 133 -41.866 -26.107 0.349 1.00

ATOM 982 CB THR A 136 -38.844 -31.287 1.593 1.00

ATOM 1005 O GLY A 140 -38.332 -37.193 0.674 1.00

ATOM 1028 CG2 ILE A 143 -36.091 -42.768 -3.415 1.00

ATOM 1051 N ILE A 148 -19.997 -35.692 -2.292 1.00

ATOM 1074 O ALA A 151 -10.318 -34.514 -9.353 1.00

ATOM 1098 CB MET B 1 -15.694 -21.692 13.726 1.00

ATOM 1121 CG LYS B 4 -17.014 -33.456 13.442 1.00

ATOM 1144 CA VAL B 8 -18.035 -44.210 6.441 1.00

ATOM 1167 CA GLY B 11 -15.861 -52.825 1.478 1.00

ATOM 1190 CE LYS B 14 -20.718 -53.458 5.428 1.00

ATOM 1213 O PHE B 18 -12.244 -38.697 13.038 1.00