PFRMAT TS TARGET TR432 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment settings on the SAM alignment software. METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD METHOD METHOD For this REFINEMENT model, we did a standard prediction for the METHOD residues included in the model, then tried optimizing both from the METHOD predicted model and from the provided starting point. Since we were METHOD directed to focus on Y85-G92, I also tried cutting and pasting that METHOD region from other models (particularly server models). This provided METHOD slightly different starting points and a bit more flexibility in METHOD rebuilding that loop. METHOD METHOD My tools are not optimized for fine-grain placement of atoms, so I'm METHOD not sure that I can make any improvement over a 1.34 Angstrom CA_RMSD METHOD model. METHOD METHOD All the models submitted have a disulfide constraint: C79-C101. The METHOD CYS residues seemed too close not to be interacting, though with this METHOD being part of a cytosolic human protein a disulfide somehow seems METHOD wrong. Since the cys are on the edge of the model, so I wonder if a METHOD metal-binding site in the protein has somehow been broken by taking METHOD out just this fragment. A disulfide here could correct for the METHOD missing metal. METHOD METHOD Model METHOD METHOD METHOD 1 TR432.try7-opt3.pdb # < chimera-try6-try5 METHOD # best undertaker score (with try3,try4,try7.costfcn) METHOD chimera-try6-try5: METHOD mostly from TR432.try6-opt3.gromacs0.repack-nonPC.pdb METHOD I111-R130 is from try5-opt3 METHOD chimera-try6-try5 was an attempt to use the tighter packing of METHOD the C-terminal helix in try5 with the more standard loop in try6. METHOD METHOD METHOD 2 TR432.try7-opt3.gromacs0.repack-nonPC.pdb # < chimera-try6-try5 METHOD # best rosetta energy METHOD Rosetta and undertaker disagree somewhat on clashes, so METHOD running an undertaker-produced model through gromacs energy METHOD minimization to relieve tiny clashes, then repacking the METHOD sidechains (except PRO and CYS) with Rosetta produces the best METHOD Rosetta energy scores, even though few atoms move much. METHOD METHOD 3 TR432.try6-opt3.pdb # < chimera-try4-MULTICOM METHOD chimera-try4-MULTICOM: METHOD mostly TR432.try4-opt3.repack-nonPC.pdb METHOD A82-L95 from MULTICOM-REFINE_TS2 METHOD This chimera was an attempt to get a slightly different loop METHOD as a starting point for further optimization. Sometimes doing METHOD this sort of cut-and-paste introduces breaks into the backbone METHOD and has slightly different shape to the fragments, kicking the METHOD optimization out of a local optimum and allowing it to find a METHOD different one. METHOD METHOD 4 TR432.try5-opt3.pdb # < try3-opt3 < try2-opt3.gromacs0.repack-nonPC < chimera-init-try1 METHOD chimera-init-try1: METHOD mostly TR432.pdb METHOD Y85-R97 from try1-opt3 METHOD try1-opt3 was the automatically generated prediction for TR432 METHOD It had a rather different idea of what the interesting loop should be. METHOD Initially I favored this model, but it looks like the loop now METHOD blocks access to the putative active site: Y43,N81,Y85,N86, so METHOD I downgraded the model. The try5 run had some extra METHOD constraints to try to pull the C-terminal helix in tighter, METHOD which were fairly successful, so I copied that portion of the METHOD model into chimera-try6-try5 to make the final model. METHOD METHOD 5 TR432.try4-opt3.repack-nonPC.pdb # < TR432 METHOD # optimized directly from provided model, using just undertaker. METHOD # helix constraints taken from the initial model and from try1-opt3 METHOD # disulfide C79-C101 METHOD REMARK 6 REMARK 6 TR432 model 3 Thu Jul 10 18:42:30 2008 MODEL 3 PARENT N/A ATOM 1 N SER 1 29.791 7.408 10.586 1.00 0.00 ATOM 2 CA SER 1 30.585 8.507 11.174 1.00 0.00 ATOM 3 CB SER 1 32.027 8.414 10.714 1.00 0.00 ATOM 4 OG SER 1 32.636 7.223 11.128 1.00 0.00 ATOM 5 O SER 1 29.819 10.727 11.664 1.00 0.00 ATOM 6 C SER 1 30.001 9.866 10.803 1.00 0.00 ATOM 7 N MET 2 29.707 10.055 9.520 1.00 0.00 ATOM 8 CA MET 2 29.142 11.314 9.053 1.00 0.00 ATOM 9 CB MET 2 29.139 11.367 7.527 1.00 0.00 ATOM 10 CG MET 2 30.523 11.444 6.896 1.00 0.00 ATOM 11 SD MET 2 31.449 12.898 7.429 1.00 0.00 ATOM 12 CE MET 2 30.492 14.205 6.668 1.00 0.00 ATOM 13 O MET 2 27.329 12.692 9.805 1.00 0.00 ATOM 14 C MET 2 27.738 11.549 9.596 1.00 0.00 ATOM 15 N GLN 3 27.001 10.467 9.824 1.00 0.00 ATOM 16 CA GLN 3 25.644 10.574 10.346 1.00 0.00 ATOM 17 CB GLN 3 24.980 9.193 10.371 1.00 0.00 ATOM 18 CG GLN 3 24.652 8.635 8.997 1.00 0.00 ATOM 19 CD GLN 3 24.116 7.219 9.061 1.00 0.00 ATOM 20 OE1 GLN 3 24.069 6.604 10.131 1.00 0.00 ATOM 21 NE2 GLN 3 23.709 6.687 7.914 1.00 0.00 ATOM 22 O GLN 3 24.884 12.080 12.075 1.00 0.00 ATOM 23 C GLN 3 25.676 11.188 11.766 1.00 0.00 ATOM 24 N GLU 4 26.586 10.710 12.608 1.00 0.00 ATOM 25 CA GLU 4 26.702 11.222 13.968 1.00 0.00 ATOM 26 CB GLU 4 27.728 10.354 14.751 1.00 0.00 ATOM 27 CG GLU 4 27.233 8.916 14.839 1.00 0.00 ATOM 28 CD GLU 4 28.148 8.010 15.640 1.00 0.00 ATOM 29 OE1 GLU 4 29.368 7.997 15.325 1.00 0.00 ATOM 30 OE2 GLU 4 27.644 7.298 16.519 1.00 0.00 ATOM 31 O GLU 4 26.642 13.518 14.663 1.00 0.00 ATOM 32 C GLU 4 27.148 12.679 13.917 1.00 0.00 ATOM 33 N GLU 5 28.096 12.979 13.035 1.00 0.00 ATOM 34 CA GLU 5 28.605 14.353 12.893 1.00 0.00 ATOM 35 CB GLU 5 29.816 14.399 11.959 1.00 0.00 ATOM 36 CG GLU 5 30.430 15.781 11.792 1.00 0.00 ATOM 37 CD GLU 5 31.644 15.736 10.906 1.00 0.00 ATOM 38 OE1 GLU 5 31.991 14.669 10.460 1.00 0.00 ATOM 39 OE2 GLU 5 32.160 16.781 10.585 1.00 0.00 ATOM 40 O GLU 5 27.218 16.303 13.037 1.00 0.00 ATOM 41 C GLU 5 27.439 15.235 12.466 1.00 0.00 ATOM 42 N ASP 6 26.693 14.786 11.461 1.00 0.00 ATOM 43 CA ASP 6 25.550 15.546 10.971 1.00 0.00 ATOM 44 CB ASP 6 24.813 14.786 9.881 1.00 0.00 ATOM 45 CG ASP 6 25.494 14.757 8.570 1.00 0.00 ATOM 46 OD1 ASP 6 26.444 15.548 8.335 1.00 0.00 ATOM 47 OD2 ASP 6 25.102 13.933 7.693 1.00 0.00 ATOM 48 O ASP 6 23.961 16.805 12.255 1.00 0.00 ATOM 49 C ASP 6 24.534 15.727 12.094 1.00 0.00 ATOM 50 N THR 7 24.313 14.671 12.872 1.00 0.00 ATOM 51 CA THR 7 23.353 14.728 13.993 1.00 0.00 ATOM 52 CB THR 7 23.202 13.349 14.662 1.00 0.00 ATOM 53 CG2 THR 7 22.232 13.427 15.831 1.00 0.00 ATOM 54 OG1 THR 7 22.716 12.399 13.704 1.00 0.00 ATOM 55 O THR 7 22.953 16.560 15.479 1.00 0.00 ATOM 56 C THR 7 23.770 15.758 15.023 1.00 0.00 ATOM 57 N PHE 8 25.046 15.741 15.394 1.00 0.00 ATOM 58 CA PHE 8 25.561 16.688 16.377 1.00 0.00 ATOM 59 CB PHE 8 26.992 16.313 16.796 1.00 0.00 ATOM 60 CG PHE 8 27.179 15.355 17.938 1.00 0.00 ATOM 61 CD1 PHE 8 27.704 14.091 17.743 1.00 0.00 ATOM 62 CD2 PHE 8 26.897 15.742 19.244 1.00 0.00 ATOM 63 CE1 PHE 8 27.919 13.208 18.790 1.00 0.00 ATOM 64 CE2 PHE 8 27.072 14.871 20.279 1.00 0.00 ATOM 65 CZ PHE 8 27.609 13.640 20.080 1.00 0.00 ATOM 66 O PHE 8 25.203 19.052 16.571 1.00 0.00 ATOM 67 C PHE 8 25.557 18.118 15.849 1.00 0.00 ATOM 68 N ARG 9 25.950 18.289 14.591 1.00 0.00 ATOM 69 CA ARG 9 25.982 19.612 13.983 1.00 0.00 ATOM 70 CB ARG 9 26.646 19.600 12.614 1.00 0.00 ATOM 71 CG ARG 9 28.145 19.342 12.633 1.00 0.00 ATOM 72 CD ARG 9 28.787 19.362 11.294 1.00 0.00 ATOM 73 NE ARG 9 30.209 19.061 11.302 1.00 0.00 ATOM 74 CZ ARG 9 31.179 19.955 11.576 1.00 0.00 ATOM 75 NH1 ARG 9 30.889 21.213 11.825 1.00 0.00 ATOM 76 NH2 ARG 9 32.434 19.540 11.562 1.00 0.00 ATOM 77 O ARG 9 24.432 21.443 14.047 1.00 0.00 ATOM 78 C ARG 9 24.588 20.228 13.922 1.00 0.00 ATOM 79 N GLU 10 23.576 19.387 13.731 1.00 0.00 ATOM 80 CA GLU 10 22.173 19.868 13.657 1.00 0.00 ATOM 81 CB GLU 10 21.233 18.718 13.288 1.00 0.00 ATOM 82 CG GLU 10 19.775 19.125 13.122 1.00 0.00 ATOM 83 CD GLU 10 18.924 17.954 12.719 1.00 0.00 ATOM 84 OE1 GLU 10 19.455 16.881 12.570 1.00 0.00 ATOM 85 OE2 GLU 10 17.725 18.106 12.671 1.00 0.00 ATOM 86 O GLU 10 21.150 21.598 14.951 1.00 0.00 ATOM 87 C GLU 10 21.752 20.512 14.944 1.00 0.00 ATOM 88 N LEU 11 22.021 19.847 16.058 1.00 0.00 ATOM 89 CA LEU 11 21.645 20.402 17.353 1.00 0.00 ATOM 90 CB LEU 11 22.024 19.430 18.484 1.00 0.00 ATOM 91 CG LEU 11 21.689 19.886 19.873 1.00 0.00 ATOM 92 CD1 LEU 11 20.217 20.244 20.030 1.00 0.00 ATOM 93 CD2 LEU 11 22.079 18.801 20.897 1.00 0.00 ATOM 94 O LEU 11 21.754 22.654 18.173 1.00 0.00 ATOM 95 C LEU 11 22.340 21.737 17.595 1.00 0.00 ATOM 96 N ARG 12 23.587 21.847 17.150 1.00 0.00 ATOM 97 CA ARG 12 24.349 23.083 17.324 1.00 0.00 ATOM 98 CB ARG 12 25.832 22.867 17.060 1.00 0.00 ATOM 99 CG ARG 12 26.599 22.235 18.211 1.00 0.00 ATOM 100 CD ARG 12 28.028 21.958 17.915 1.00 0.00 ATOM 101 NE ARG 12 28.761 21.341 19.009 1.00 0.00 ATOM 102 CZ ARG 12 30.035 20.908 18.927 1.00 0.00 ATOM 103 NH1 ARG 12 30.706 20.986 17.801 1.00 0.00 ATOM 104 NH2 ARG 12 30.584 20.380 20.008 1.00 0.00 ATOM 105 O ARG 12 23.732 25.377 17.031 1.00 0.00 ATOM 106 C ARG 12 23.777 24.248 16.539 1.00 0.00 ATOM 107 N ILE 13 23.337 23.977 15.314 1.00 0.00 ATOM 108 CA ILE 13 22.765 25.019 14.469 1.00 0.00 ATOM 109 CB ILE 13 22.287 24.471 13.112 1.00 0.00 ATOM 110 CG1 ILE 13 23.477 23.968 12.290 1.00 0.00 ATOM 111 CG2 ILE 13 21.519 25.537 12.347 1.00 0.00 ATOM 112 CD1 ILE 13 23.082 23.171 11.069 1.00 0.00 ATOM 113 O ILE 13 21.486 26.903 15.250 1.00 0.00 ATOM 114 C ILE 13 21.591 25.676 15.210 1.00 0.00 ATOM 115 N PHE 14 20.719 24.858 15.791 1.00 0.00 ATOM 116 CA PHE 14 19.569 25.376 16.523 1.00 0.00 ATOM 117 CB PHE 14 18.630 24.237 16.922 1.00 0.00 ATOM 118 CG PHE 14 17.743 23.764 15.806 1.00 0.00 ATOM 119 CD1 PHE 14 18.057 22.617 15.090 1.00 0.00 ATOM 120 CD2 PHE 14 16.594 24.462 15.468 1.00 0.00 ATOM 121 CE1 PHE 14 17.241 22.180 14.063 1.00 0.00 ATOM 122 CE2 PHE 14 15.776 24.028 14.443 1.00 0.00 ATOM 123 CZ PHE 14 16.102 22.886 13.740 1.00 0.00 ATOM 124 O PHE 14 19.457 27.277 18.008 1.00 0.00 ATOM 125 C PHE 14 19.969 26.182 17.770 1.00 0.00 ATOM 126 N LEU 15 20.865 25.619 18.563 1.00 0.00 ATOM 127 CA LEU 15 21.320 26.304 19.761 1.00 0.00 ATOM 128 CB LEU 15 22.263 25.421 20.587 1.00 0.00 ATOM 129 CG LEU 15 21.610 24.187 21.222 1.00 0.00 ATOM 130 CD1 LEU 15 22.674 23.302 21.856 1.00 0.00 ATOM 131 CD2 LEU 15 20.589 24.630 22.261 1.00 0.00 ATOM 132 O LEU 15 21.772 28.625 20.097 1.00 0.00 ATOM 133 C LEU 15 21.980 27.626 19.414 1.00 0.00 ATOM 134 N ARG 16 22.778 27.575 18.400 1.00 0.00 ATOM 135 CA ARG 16 23.432 28.821 17.981 1.00 0.00 ATOM 136 CB ARG 16 24.403 28.600 16.830 1.00 0.00 ATOM 137 CG ARG 16 25.659 27.825 17.191 1.00 0.00 ATOM 138 CD ARG 16 26.540 27.513 16.038 1.00 0.00 ATOM 139 NE ARG 16 27.133 28.679 15.401 1.00 0.00 ATOM 140 CZ ARG 16 27.743 28.666 14.199 1.00 0.00 ATOM 141 NH1 ARG 16 27.878 27.549 13.520 1.00 0.00 ATOM 142 NH2 ARG 16 28.227 29.803 13.733 1.00 0.00 ATOM 143 O ARG 16 22.530 31.049 18.044 1.00 0.00 ATOM 144 C ARG 16 22.382 29.893 17.666 1.00 0.00 ATOM 145 N ASN 17 21.358 29.464 17.008 1.00 0.00 ATOM 146 CA ASN 17 20.288 30.403 16.703 1.00 0.00 ATOM 147 CB ASN 17 19.158 29.731 15.946 1.00 0.00 ATOM 148 CG ASN 17 19.499 29.393 14.521 1.00 0.00 ATOM 149 ND2 ASN 17 18.687 28.557 13.929 1.00 0.00 ATOM 150 OD1 ASN 17 20.446 29.941 13.943 1.00 0.00 ATOM 151 O ASN 17 19.526 32.285 17.983 1.00 0.00 ATOM 152 C ASN 17 19.724 31.070 17.954 1.00 0.00 ATOM 153 N VAL 18 19.467 30.273 18.986 1.00 0.00 ATOM 154 CA VAL 18 18.941 30.799 20.202 1.00 0.00 ATOM 155 CB VAL 18 18.654 29.783 21.274 1.00 0.00 ATOM 156 CG1 VAL 18 18.092 30.409 22.525 1.00 0.00 ATOM 157 CG2 VAL 18 17.678 28.732 20.720 1.00 0.00 ATOM 158 O VAL 18 19.459 32.910 21.128 1.00 0.00 ATOM 159 C VAL 18 19.856 31.792 20.794 1.00 0.00 ATOM 160 N THR 19 21.119 31.403 20.939 1.00 0.00 ATOM 161 CA THR 19 22.123 32.293 21.510 1.00 0.00 ATOM 162 CB THR 19 23.624 31.648 21.058 1.00 0.00 ATOM 163 CG2 THR 19 24.797 31.952 21.993 1.00 0.00 ATOM 164 OG1 THR 19 23.564 30.235 20.829 1.00 0.00 ATOM 165 O THR 19 22.475 34.650 21.218 1.00 0.00 ATOM 166 C THR 19 22.330 33.552 20.676 1.00 0.00 ATOM 167 N HIS 20 22.322 33.339 19.402 1.00 0.00 ATOM 168 CA HIS 20 22.505 34.452 18.483 1.00 0.00 ATOM 169 CB HIS 20 22.435 33.972 17.030 1.00 0.00 ATOM 170 CG HIS 20 23.604 33.134 16.617 1.00 0.00 ATOM 171 CD2 HIS 20 24.796 32.907 17.219 1.00 0.00 ATOM 172 ND1 HIS 20 23.622 32.408 15.444 1.00 0.00 ATOM 173 CE1 HIS 20 24.776 31.771 15.343 1.00 0.00 ATOM 174 NE2 HIS 20 25.504 32.056 16.407 1.00 0.00 ATOM 175 O HIS 20 21.818 36.687 18.871 1.00 0.00 ATOM 176 C HIS 20 21.476 35.515 18.729 1.00 0.00 ATOM 177 N ARG 21 20.190 35.134 18.834 1.00 0.00 ATOM 178 CA ARG 21 19.176 36.135 18.998 1.00 0.00 ATOM 179 CB ARG 21 17.774 35.544 18.949 1.00 0.00 ATOM 180 CG ARG 21 17.331 35.062 17.577 1.00 0.00 ATOM 181 CD ARG 21 15.989 34.426 17.555 1.00 0.00 ATOM 182 NE ARG 21 15.573 33.939 16.250 1.00 0.00 ATOM 183 CZ ARG 21 14.430 33.268 16.012 1.00 0.00 ATOM 184 NH1 ARG 21 13.605 32.966 16.990 1.00 0.00 ATOM 185 NH2 ARG 21 14.170 32.897 14.770 1.00 0.00 ATOM 186 O ARG 21 19.166 38.113 20.303 1.00 0.00 ATOM 187 C ARG 21 19.392 36.904 20.260 1.00 0.00 ATOM 188 N LEU 22 19.839 36.216 21.326 1.00 0.00 ATOM 189 CA LEU 22 19.954 36.856 22.604 1.00 0.00 ATOM 190 CB LEU 22 20.252 35.823 23.696 1.00 0.00 ATOM 191 CG LEU 22 19.016 35.174 24.337 1.00 0.00 ATOM 192 CD1 LEU 22 17.808 35.343 23.427 1.00 0.00 ATOM 193 CD2 LEU 22 19.293 33.701 24.600 1.00 0.00 ATOM 194 O LEU 22 20.827 39.058 22.790 1.00 0.00 ATOM 195 C LEU 22 21.036 37.881 22.497 1.00 0.00 ATOM 196 N ALA 23 22.211 37.457 22.008 1.00 0.00 ATOM 197 CA ALA 23 23.364 38.309 21.978 1.00 0.00 ATOM 198 CB ALA 23 24.611 37.595 21.432 1.00 0.00 ATOM 199 O ALA 23 23.429 40.640 21.418 1.00 0.00 ATOM 200 C ALA 23 23.111 39.504 21.069 1.00 0.00 ATOM 201 N ILE 24 22.510 39.230 19.908 1.00 0.00 ATOM 202 CA ILE 24 22.233 40.285 18.940 1.00 0.00 ATOM 203 CB ILE 24 21.791 39.704 17.585 1.00 0.00 ATOM 204 CG1 ILE 24 22.947 38.948 16.924 1.00 0.00 ATOM 205 CG2 ILE 24 21.282 40.809 16.673 1.00 0.00 ATOM 206 CD1 ILE 24 22.533 38.126 15.725 1.00 0.00 ATOM 207 O ILE 24 21.355 42.468 19.407 1.00 0.00 ATOM 208 C ILE 24 21.167 41.251 19.446 1.00 0.00 ATOM 209 N ASP 25 20.051 40.708 19.921 1.00 0.00 ATOM 210 CA ASP 25 19.013 41.520 20.411 1.00 0.00 ATOM 211 CB ASP 25 17.663 40.889 20.101 1.00 0.00 ATOM 212 CG ASP 25 16.499 41.846 20.347 1.00 0.00 ATOM 213 OD1 ASP 25 16.372 42.849 19.610 1.00 0.00 ATOM 214 OD2 ASP 25 15.711 41.587 21.282 1.00 0.00 ATOM 215 O ASP 25 20.281 42.106 22.350 1.00 0.00 ATOM 216 C ASP 25 19.504 42.480 21.471 1.00 0.00 ATOM 217 N LYS 26 19.052 43.728 21.392 1.00 0.00 ATOM 218 CA LYS 26 19.455 44.741 22.360 1.00 0.00 ATOM 219 CB LYS 26 18.876 46.100 21.966 1.00 0.00 ATOM 220 CG LYS 26 19.501 46.711 20.719 1.00 0.00 ATOM 221 CD LYS 26 18.876 48.059 20.391 1.00 0.00 ATOM 222 CE LYS 26 19.484 48.662 19.133 1.00 0.00 ATOM 223 NZ LYS 26 18.861 49.966 18.782 1.00 0.00 ATOM 224 O LYS 26 19.762 44.588 24.713 1.00 0.00 ATOM 225 C LYS 26 19.028 44.384 23.746 1.00 0.00 ATOM 226 N ARG 27 17.835 43.786 23.874 1.00 0.00 ATOM 227 CA ARG 27 17.289 43.537 25.173 1.00 0.00 ATOM 228 CB ARG 27 15.824 43.128 25.110 1.00 0.00 ATOM 229 CG ARG 27 15.158 42.926 26.463 1.00 0.00 ATOM 230 CD ARG 27 13.697 42.670 26.394 1.00 0.00 ATOM 231 NE ARG 27 13.062 42.451 27.683 1.00 0.00 ATOM 232 CZ ARG 27 11.768 42.114 27.851 1.00 0.00 ATOM 233 NH1 ARG 27 10.961 41.994 26.821 1.00 0.00 ATOM 234 NH2 ARG 27 11.326 41.932 29.084 1.00 0.00 ATOM 235 O ARG 27 18.222 42.594 27.147 1.00 0.00 ATOM 236 C ARG 27 18.101 42.529 25.923 1.00 0.00 ATOM 237 N PHE 28 18.674 41.578 25.192 1.00 0.00 ATOM 238 CA PHE 28 19.493 40.541 25.808 1.00 0.00 ATOM 239 CB PHE 28 19.017 39.112 25.250 1.00 0.00 ATOM 240 CG PHE 28 17.574 38.772 25.502 1.00 0.00 ATOM 241 CD1 PHE 28 17.161 38.319 26.752 1.00 0.00 ATOM 242 CD2 PHE 28 16.644 38.860 24.475 1.00 0.00 ATOM 243 CE1 PHE 28 15.831 37.998 26.971 1.00 0.00 ATOM 244 CE2 PHE 28 15.309 38.536 24.675 1.00 0.00 ATOM 245 CZ PHE 28 14.911 38.088 25.930 1.00 0.00 ATOM 246 O PHE 28 21.737 40.321 26.664 1.00 0.00 ATOM 247 C PHE 28 20.929 41.036 26.048 1.00 0.00 ATOM 248 N ARG 29 21.176 42.275 25.544 1.00 0.00 ATOM 249 CA ARG 29 22.597 42.672 25.490 1.00 0.00 ATOM 250 CB ARG 29 22.809 43.959 24.705 1.00 0.00 ATOM 251 CG ARG 29 24.263 44.365 24.524 1.00 0.00 ATOM 252 CD ARG 29 24.467 45.513 23.605 1.00 0.00 ATOM 253 NE ARG 29 25.839 45.988 23.529 1.00 0.00 ATOM 254 CZ ARG 29 26.252 47.016 22.763 1.00 0.00 ATOM 255 NH1 ARG 29 25.413 47.656 21.978 1.00 0.00 ATOM 256 NH2 ARG 29 27.530 47.351 22.802 1.00 0.00 ATOM 257 O ARG 29 24.428 42.640 26.978 1.00 0.00 ATOM 258 C ARG 29 23.214 42.775 26.857 1.00 0.00 ATOM 259 N VAL 30 22.443 43.023 27.926 1.00 0.00 ATOM 260 CA VAL 30 23.053 43.177 29.223 1.00 0.00 ATOM 261 CB VAL 30 21.999 43.437 30.315 1.00 0.00 ATOM 262 CG1 VAL 30 22.641 43.396 31.695 1.00 0.00 ATOM 263 CG2 VAL 30 21.315 44.778 30.089 1.00 0.00 ATOM 264 O VAL 30 24.909 42.070 30.228 1.00 0.00 ATOM 265 C VAL 30 23.857 41.963 29.597 1.00 0.00 ATOM 266 N PHE 31 23.364 40.769 29.241 1.00 0.00 ATOM 267 CA PHE 31 24.018 39.523 29.520 1.00 0.00 ATOM 268 CB PHE 31 23.282 38.339 28.930 1.00 0.00 ATOM 269 CG PHE 31 21.874 38.216 29.434 1.00 0.00 ATOM 270 CD1 PHE 31 20.804 38.122 28.542 1.00 0.00 ATOM 271 CD2 PHE 31 21.608 38.192 30.795 1.00 0.00 ATOM 272 CE1 PHE 31 19.490 38.011 29.014 1.00 0.00 ATOM 273 CE2 PHE 31 20.305 38.081 31.271 1.00 0.00 ATOM 274 CZ PHE 31 19.243 37.990 30.376 1.00 0.00 ATOM 275 O PHE 31 26.120 38.596 28.928 1.00 0.00 ATOM 276 C PHE 31 25.188 39.327 28.597 1.00 0.00 ATOM 277 N THR 32 25.165 39.952 27.403 1.00 0.00 ATOM 278 CA THR 32 26.136 39.661 26.381 1.00 0.00 ATOM 279 CB THR 32 25.916 40.531 25.128 1.00 0.00 ATOM 280 CG2 THR 32 26.982 40.239 24.084 1.00 0.00 ATOM 281 OG1 THR 32 24.623 40.256 24.575 1.00 0.00 ATOM 282 O THR 32 28.393 39.011 26.654 1.00 0.00 ATOM 283 C THR 32 27.537 39.868 26.867 1.00 0.00 ATOM 284 N LYS 33 27.836 40.991 27.530 1.00 0.00 ATOM 285 CA LYS 33 29.199 41.191 27.916 1.00 0.00 ATOM 286 CB LYS 33 29.585 42.665 27.781 1.00 0.00 ATOM 287 CG LYS 33 29.446 43.223 26.370 1.00 0.00 ATOM 288 CD LYS 33 30.413 42.547 25.410 1.00 0.00 ATOM 289 CE LYS 33 30.433 43.246 24.059 1.00 0.00 ATOM 290 NZ LYS 33 31.318 42.551 23.085 1.00 0.00 ATOM 291 O LYS 33 28.433 40.503 30.061 1.00 0.00 ATOM 292 C LYS 33 29.383 40.714 29.308 1.00 0.00 ATOM 293 N PRO 34 30.619 40.526 29.650 1.00 0.00 ATOM 294 CA PRO 34 30.933 40.172 30.994 1.00 0.00 ATOM 295 CB PRO 34 32.433 39.934 30.960 1.00 0.00 ATOM 296 CG PRO 34 32.897 40.706 29.779 1.00 0.00 ATOM 297 CD PRO 34 31.846 40.430 28.757 1.00 0.00 ATOM 298 O PRO 34 30.774 42.488 31.293 1.00 0.00 ATOM 299 C PRO 34 30.658 41.383 31.817 1.00 0.00 ATOM 300 N VAL 35 30.258 41.210 33.089 1.00 0.00 ATOM 301 CA VAL 35 30.004 42.368 33.885 1.00 0.00 ATOM 302 CB VAL 35 29.442 41.989 35.268 1.00 0.00 ATOM 303 CG1 VAL 35 29.288 43.227 36.139 1.00 0.00 ATOM 304 CG2 VAL 35 28.107 41.273 35.123 1.00 0.00 ATOM 305 O VAL 35 32.391 42.433 34.180 1.00 0.00 ATOM 306 C VAL 35 31.370 43.069 33.952 1.00 0.00 ATOM 307 N ASP 36 31.370 44.306 33.730 1.00 0.00 ATOM 308 CA ASP 36 32.620 45.048 33.870 1.00 0.00 ATOM 309 CB ASP 36 32.550 46.422 33.231 1.00 0.00 ATOM 310 CG ASP 36 33.851 47.176 33.093 1.00 0.00 ATOM 311 OD1 ASP 36 34.677 47.293 34.010 1.00 0.00 ATOM 312 OD2 ASP 36 34.168 47.716 32.009 1.00 0.00 ATOM 313 O ASP 36 32.247 45.606 36.158 1.00 0.00 ATOM 314 C ASP 36 33.027 45.189 35.299 1.00 0.00 ATOM 315 N PRO 37 34.244 44.808 35.565 1.00 0.00 ATOM 316 CA PRO 37 34.771 44.897 36.895 1.00 0.00 ATOM 317 CB PRO 37 36.074 44.099 36.882 1.00 0.00 ATOM 318 CG PRO 37 35.844 43.055 35.774 1.00 0.00 ATOM 319 CD PRO 37 34.871 43.742 34.800 1.00 0.00 ATOM 320 O PRO 37 34.812 46.514 38.668 1.00 0.00 ATOM 321 C PRO 37 34.927 46.306 37.459 1.00 0.00 ATOM 322 N ASP 38 35.186 47.271 36.583 1.00 0.00 ATOM 323 CA ASP 38 35.342 48.597 37.008 1.00 0.00 ATOM 324 CB ASP 38 35.868 49.559 35.941 1.00 0.00 ATOM 325 CG ASP 38 37.334 49.357 35.579 1.00 0.00 ATOM 326 OD1 ASP 38 38.011 48.656 36.295 1.00 0.00 ATOM 327 OD2 ASP 38 37.726 49.772 34.515 1.00 0.00 ATOM 328 O ASP 38 33.926 49.636 38.591 1.00 0.00 ATOM 329 C ASP 38 34.025 48.998 37.541 1.00 0.00 ATOM 330 N GLU 39 32.972 48.627 36.822 1.00 0.00 ATOM 331 CA GLU 39 31.615 48.958 37.242 1.00 0.00 ATOM 332 CB GLU 39 30.520 48.508 36.308 1.00 0.00 ATOM 333 CG GLU 39 30.469 49.259 34.988 1.00 0.00 ATOM 334 CD GLU 39 29.353 48.769 34.070 1.00 0.00 ATOM 335 OE1 GLU 39 28.795 47.664 34.299 1.00 0.00 ATOM 336 OE2 GLU 39 29.047 49.489 33.091 1.00 0.00 ATOM 337 O GLU 39 30.968 49.014 39.552 1.00 0.00 ATOM 338 C GLU 39 31.357 48.326 38.606 1.00 0.00 ATOM 339 N VAL 40 31.576 47.020 38.707 1.00 0.00 ATOM 340 CA VAL 40 31.367 46.335 39.942 1.00 0.00 ATOM 341 CB VAL 40 30.350 45.194 39.758 1.00 0.00 ATOM 342 CG1 VAL 40 30.159 44.435 41.062 1.00 0.00 ATOM 343 CG2 VAL 40 29.020 45.741 39.262 1.00 0.00 ATOM 344 O VAL 40 33.229 44.859 39.833 1.00 0.00 ATOM 345 C VAL 40 32.681 45.795 40.412 1.00 0.00 ATOM 346 N PRO 41 33.207 46.372 41.450 1.00 0.00 ATOM 347 CA PRO 41 34.493 45.933 41.921 1.00 0.00 ATOM 348 CB PRO 41 34.825 46.878 43.096 1.00 0.00 ATOM 349 CG PRO 41 33.551 47.616 43.403 1.00 0.00 ATOM 350 CD PRO 41 32.623 47.484 42.259 1.00 0.00 ATOM 351 O PRO 41 35.562 43.867 42.228 1.00 0.00 ATOM 352 C PRO 41 34.581 44.559 42.495 1.00 0.00 ATOM 353 N ASP 42 33.594 44.112 43.282 1.00 0.00 ATOM 354 CA ASP 42 33.812 42.822 43.855 1.00 0.00 ATOM 355 CB ASP 42 33.527 42.845 45.359 1.00 0.00 ATOM 356 CG ASP 42 34.433 43.771 46.157 1.00 0.00 ATOM 357 OD1 ASP 42 35.626 43.699 45.982 1.00 0.00 ATOM 358 OD2 ASP 42 33.924 44.647 46.814 1.00 0.00 ATOM 359 O ASP 42 32.620 40.741 43.771 1.00 0.00 ATOM 360 C ASP 42 32.976 41.751 43.162 1.00 0.00 ATOM 361 N TYR 43 32.665 41.972 41.889 1.00 0.00 ATOM 362 CA TYR 43 31.903 41.042 41.170 1.00 0.00 ATOM 363 CB TYR 43 31.633 41.460 39.711 1.00 0.00 ATOM 364 CG TYR 43 30.776 40.413 39.080 1.00 0.00 ATOM 365 CD1 TYR 43 29.421 40.392 39.312 1.00 0.00 ATOM 366 CD2 TYR 43 31.321 39.467 38.245 1.00 0.00 ATOM 367 CE1 TYR 43 28.625 39.434 38.729 1.00 0.00 ATOM 368 CE2 TYR 43 30.531 38.506 37.658 1.00 0.00 ATOM 369 CZ TYR 43 29.180 38.490 37.901 1.00 0.00 ATOM 370 OH TYR 43 28.365 37.507 37.302 1.00 0.00 ATOM 371 O TYR 43 32.035 38.650 41.298 1.00 0.00 ATOM 372 C TYR 43 32.634 39.706 41.092 1.00 0.00 ATOM 373 N VAL 44 33.929 39.754 40.796 1.00 0.00 ATOM 374 CA VAL 44 34.699 38.563 40.703 1.00 0.00 ATOM 375 CB VAL 44 36.151 38.975 40.143 1.00 0.00 ATOM 376 CG1 VAL 44 37.054 37.745 40.108 1.00 0.00 ATOM 377 CG2 VAL 44 36.060 39.589 38.754 1.00 0.00 ATOM 378 O VAL 44 34.713 36.585 41.981 1.00 0.00 ATOM 379 C VAL 44 34.775 37.815 41.959 1.00 0.00 ATOM 380 N THR 45 34.913 38.549 43.059 1.00 0.00 ATOM 381 CA THR 45 34.998 37.929 44.376 1.00 0.00 ATOM 382 CB THR 45 35.176 38.902 45.555 1.00 0.00 ATOM 383 CG2 THR 45 35.261 38.138 46.869 1.00 0.00 ATOM 384 OG1 THR 45 36.376 39.664 45.373 1.00 0.00 ATOM 385 O THR 45 33.934 35.881 44.975 1.00 0.00 ATOM 386 C THR 45 33.799 37.052 44.620 1.00 0.00 ATOM 387 N VAL 46 32.611 37.617 44.432 1.00 0.00 ATOM 388 CA VAL 46 31.377 36.865 44.636 1.00 0.00 ATOM 389 CB VAL 46 30.180 37.834 44.605 1.00 0.00 ATOM 390 CG1 VAL 46 28.870 37.065 44.700 1.00 0.00 ATOM 391 CG2 VAL 46 30.285 38.846 45.737 1.00 0.00 ATOM 392 O VAL 46 30.751 34.662 44.027 1.00 0.00 ATOM 393 C VAL 46 31.135 35.768 43.648 1.00 0.00 ATOM 394 N ILE 47 31.364 36.029 42.347 1.00 0.00 ATOM 395 CA ILE 47 30.971 35.030 41.395 1.00 0.00 ATOM 396 CB ILE 47 30.244 35.655 40.190 1.00 0.00 ATOM 397 CG1 ILE 47 28.967 36.364 40.645 1.00 0.00 ATOM 398 CG2 ILE 47 29.926 34.591 39.150 1.00 0.00 ATOM 399 CD1 ILE 47 28.039 35.489 41.457 1.00 0.00 ATOM 400 O ILE 47 33.055 34.843 40.221 1.00 0.00 ATOM 401 C ILE 47 32.218 34.285 40.932 1.00 0.00 ATOM 402 N LYS 48 32.339 33.023 41.334 1.00 0.00 ATOM 403 CA LYS 48 33.450 32.259 40.956 1.00 0.00 ATOM 404 CB LYS 48 33.502 30.959 41.760 1.00 0.00 ATOM 405 CG LYS 48 34.717 30.088 41.468 1.00 0.00 ATOM 406 CD LYS 48 34.747 28.860 42.367 1.00 0.00 ATOM 407 CE LYS 48 35.945 27.975 42.059 1.00 0.00 ATOM 408 NZ LYS 48 35.971 26.756 42.911 1.00 0.00 ATOM 409 O LYS 48 34.478 31.995 38.804 1.00 0.00 ATOM 410 C LYS 48 33.442 31.931 39.466 1.00 0.00 ATOM 411 N GLN 49 32.272 31.583 38.942 1.00 0.00 ATOM 412 CA GLN 49 32.161 31.262 37.568 1.00 0.00 ATOM 413 CB GLN 49 31.539 29.874 37.397 1.00 0.00 ATOM 414 CG GLN 49 32.403 28.737 37.917 1.00 0.00 ATOM 415 CD GLN 49 33.687 28.578 37.126 1.00 0.00 ATOM 416 OE1 GLN 49 33.687 28.646 35.894 1.00 0.00 ATOM 417 NE2 GLN 49 34.792 28.361 37.830 1.00 0.00 ATOM 418 O GLN 49 30.112 32.009 36.557 1.00 0.00 ATOM 419 C GLN 49 31.306 32.232 36.766 1.00 0.00 ATOM 420 N PRO 50 31.970 33.250 36.376 1.00 0.00 ATOM 421 CA PRO 50 31.257 34.260 35.594 1.00 0.00 ATOM 422 CB PRO 50 32.223 35.437 35.594 1.00 0.00 ATOM 423 CG PRO 50 33.565 34.750 35.601 1.00 0.00 ATOM 424 CD PRO 50 33.355 33.684 36.652 1.00 0.00 ATOM 425 O PRO 50 31.672 33.066 33.626 1.00 0.00 ATOM 426 C PRO 50 30.870 33.753 34.255 1.00 0.00 ATOM 427 N MET 51 29.644 34.061 33.806 1.00 0.00 ATOM 428 CA MET 51 29.255 33.614 32.509 1.00 0.00 ATOM 429 CB MET 51 28.377 32.372 32.649 1.00 0.00 ATOM 430 CG MET 51 28.041 31.687 31.331 1.00 0.00 ATOM 431 SD MET 51 29.509 31.144 30.435 1.00 0.00 ATOM 432 CE MET 51 30.056 29.789 31.473 1.00 0.00 ATOM 433 O MET 51 27.874 35.558 32.471 1.00 0.00 ATOM 434 C MET 51 28.522 34.743 31.827 1.00 0.00 ATOM 435 N ASP 52 28.670 34.796 30.567 1.00 0.00 ATOM 436 CA ASP 52 28.103 35.879 29.767 1.00 0.00 ATOM 437 CB ASP 52 28.977 37.136 29.732 1.00 0.00 ATOM 438 CG ASP 52 30.383 36.908 29.191 1.00 0.00 ATOM 439 OD1 ASP 52 30.537 36.863 27.994 1.00 0.00 ATOM 440 OD2 ASP 52 31.308 36.941 29.966 1.00 0.00 ATOM 441 O ASP 52 28.456 34.266 28.027 1.00 0.00 ATOM 442 C ASP 52 27.867 35.289 28.381 1.00 0.00 ATOM 443 N LEU 53 27.009 35.934 27.599 1.00 0.00 ATOM 444 CA LEU 53 26.728 35.465 26.299 1.00 0.00 ATOM 445 CB LEU 53 25.600 36.304 25.656 1.00 0.00 ATOM 446 CG LEU 53 24.276 36.250 26.435 1.00 0.00 ATOM 447 CD1 LEU 53 23.236 37.119 25.743 1.00 0.00 ATOM 448 CD2 LEU 53 23.784 34.810 26.541 1.00 0.00 ATOM 449 O LEU 53 28.046 34.579 24.540 1.00 0.00 ATOM 450 C LEU 53 27.889 35.472 25.373 1.00 0.00 ATOM 451 N SER 54 28.732 36.493 25.503 1.00 0.00 ATOM 452 CA SER 54 29.912 36.611 24.654 1.00 0.00 ATOM 453 CB SER 54 30.650 37.897 24.971 1.00 0.00 ATOM 454 OG SER 54 31.805 38.045 24.194 1.00 0.00 ATOM 455 O SER 54 31.287 34.799 23.894 1.00 0.00 ATOM 456 C SER 54 30.828 35.409 24.859 1.00 0.00 ATOM 457 N SER 55 31.089 35.070 26.118 1.00 0.00 ATOM 458 CA SER 55 31.931 33.961 26.413 1.00 0.00 ATOM 459 CB SER 55 32.264 33.934 27.893 1.00 0.00 ATOM 460 OG SER 55 33.046 35.031 28.276 1.00 0.00 ATOM 461 O SER 55 31.942 31.749 25.552 1.00 0.00 ATOM 462 C SER 55 31.277 32.692 25.985 1.00 0.00 ATOM 463 N VAL 56 29.954 32.648 26.101 1.00 0.00 ATOM 464 CA VAL 56 29.200 31.462 25.713 1.00 0.00 ATOM 465 CB VAL 56 27.705 31.589 26.060 1.00 0.00 ATOM 466 CG1 VAL 56 26.908 30.470 25.404 1.00 0.00 ATOM 467 CG2 VAL 56 27.504 31.572 27.569 1.00 0.00 ATOM 468 O VAL 56 29.673 30.091 23.802 1.00 0.00 ATOM 469 C VAL 56 29.396 31.216 24.222 1.00 0.00 ATOM 470 N ILE 57 29.255 32.269 23.423 1.00 0.00 ATOM 471 CA ILE 57 29.416 32.140 22.021 1.00 0.00 ATOM 472 CB ILE 57 29.229 33.489 21.304 1.00 0.00 ATOM 473 CG1 ILE 57 27.772 33.951 21.407 1.00 0.00 ATOM 474 CG2 ILE 57 29.655 33.382 19.848 1.00 0.00 ATOM 475 CD1 ILE 57 27.551 35.380 20.970 1.00 0.00 ATOM 476 O ILE 57 30.889 30.660 20.838 1.00 0.00 ATOM 477 C ILE 57 30.783 31.560 21.674 1.00 0.00 ATOM 478 N SER 58 31.828 32.073 22.315 1.00 0.00 ATOM 479 CA SER 58 33.123 31.600 22.062 1.00 0.00 ATOM 480 CB SER 58 34.127 32.341 22.925 1.00 0.00 ATOM 481 OG SER 58 34.210 33.699 22.588 1.00 0.00 ATOM 482 O SER 58 33.930 29.422 21.547 1.00 0.00 ATOM 483 C SER 58 33.259 30.127 22.301 1.00 0.00 ATOM 484 N LYS 59 32.616 29.644 23.359 1.00 0.00 ATOM 485 CA LYS 59 32.672 28.225 23.693 1.00 0.00 ATOM 486 CB LYS 59 31.985 27.961 25.033 1.00 0.00 ATOM 487 CG LYS 59 32.757 28.465 26.245 1.00 0.00 ATOM 488 CD LYS 59 32.028 28.139 27.540 1.00 0.00 ATOM 489 CE LYS 59 32.748 28.726 28.745 1.00 0.00 ATOM 490 NZ LYS 59 34.087 28.107 28.948 1.00 0.00 ATOM 491 O LYS 59 32.532 26.256 22.320 1.00 0.00 ATOM 492 C LYS 59 32.033 27.351 22.617 1.00 0.00 ATOM 493 N ILE 60 30.980 27.869 22.079 1.00 0.00 ATOM 494 CA ILE 60 30.335 27.176 20.952 1.00 0.00 ATOM 495 CB ILE 60 29.124 27.965 20.422 1.00 0.00 ATOM 496 CG1 ILE 60 28.001 27.983 21.462 1.00 0.00 ATOM 497 CG2 ILE 60 28.631 27.368 19.112 1.00 0.00 ATOM 498 CD1 ILE 60 26.887 28.953 21.143 1.00 0.00 ATOM 499 O ILE 60 31.567 25.944 19.304 1.00 0.00 ATOM 500 C ILE 60 31.393 27.029 19.865 1.00 0.00 ATOM 501 N ASP 61 32.093 28.121 19.583 1.00 0.00 ATOM 502 CA ASP 61 33.141 28.076 18.567 1.00 0.00 ATOM 503 CB ASP 61 33.745 29.473 18.401 1.00 0.00 ATOM 504 CG ASP 61 32.854 30.460 17.661 1.00 0.00 ATOM 505 OD1 ASP 61 31.885 30.034 17.079 1.00 0.00 ATOM 506 OD2 ASP 61 33.057 31.641 17.812 1.00 0.00 ATOM 507 O ASP 61 34.806 26.421 18.145 1.00 0.00 ATOM 508 C ASP 61 34.189 27.077 18.984 1.00 0.00 ATOM 509 N LEU 62 34.446 26.975 20.300 1.00 0.00 ATOM 510 CA LEU 62 35.397 26.068 20.886 1.00 0.00 ATOM 511 CB LEU 62 35.596 26.395 22.371 1.00 0.00 ATOM 512 CG LEU 62 36.263 27.747 22.657 1.00 0.00 ATOM 513 CD1 LEU 62 36.290 28.008 24.157 1.00 0.00 ATOM 514 CD2 LEU 62 37.673 27.752 22.083 1.00 0.00 ATOM 515 O LEU 62 35.816 23.756 20.985 1.00 0.00 ATOM 516 C LEU 62 34.989 24.638 20.764 1.00 0.00 ATOM 517 N HIS 63 33.712 24.363 20.431 1.00 0.00 ATOM 518 CA HIS 63 33.221 23.012 20.386 1.00 0.00 ATOM 519 CB HIS 63 34.137 22.151 19.511 1.00 0.00 ATOM 520 CG HIS 63 34.306 22.676 18.120 1.00 0.00 ATOM 521 CD2 HIS 63 35.372 23.238 17.502 1.00 0.00 ATOM 522 ND1 HIS 63 33.290 22.652 17.187 1.00 0.00 ATOM 523 CE1 HIS 63 33.724 23.177 16.054 1.00 0.00 ATOM 524 NE2 HIS 63 34.983 23.540 16.220 1.00 0.00 ATOM 525 O HIS 63 33.247 21.235 21.998 1.00 0.00 ATOM 526 C HIS 63 33.119 22.443 21.798 1.00 0.00 ATOM 527 N LYS 64 32.890 23.316 22.775 1.00 0.00 ATOM 528 CA LYS 64 32.777 22.883 24.120 1.00 0.00 ATOM 529 CB LYS 64 32.903 24.070 25.076 1.00 0.00 ATOM 530 CG LYS 64 34.314 24.631 25.199 1.00 0.00 ATOM 531 CD LYS 64 35.255 23.630 25.851 1.00 0.00 ATOM 532 CE LYS 64 36.653 24.205 26.011 1.00 0.00 ATOM 533 NZ LYS 64 37.582 23.240 26.660 1.00 0.00 ATOM 534 O LYS 64 31.263 21.687 25.545 1.00 0.00 ATOM 535 C LYS 64 31.409 22.331 24.505 1.00 0.00 ATOM 536 N TYR 65 30.409 22.582 23.667 1.00 0.00 ATOM 537 CA TYR 65 29.082 22.105 23.935 1.00 0.00 ATOM 538 CB TYR 65 27.926 23.099 23.735 1.00 0.00 ATOM 539 CG TYR 65 28.139 24.317 24.561 1.00 0.00 ATOM 540 CD1 TYR 65 27.881 24.321 25.913 1.00 0.00 ATOM 541 CD2 TYR 65 28.583 25.469 23.960 1.00 0.00 ATOM 542 CE1 TYR 65 28.075 25.467 26.649 1.00 0.00 ATOM 543 CE2 TYR 65 28.778 26.616 24.689 1.00 0.00 ATOM 544 CZ TYR 65 28.524 26.612 26.035 1.00 0.00 ATOM 545 OH TYR 65 28.722 27.792 26.781 1.00 0.00 ATOM 546 O TYR 65 28.131 21.084 21.995 1.00 0.00 ATOM 547 C TYR 65 28.618 20.923 23.114 1.00 0.00 ATOM 548 N LEU 66 28.767 19.723 23.669 1.00 0.00 ATOM 549 CA LEU 66 28.354 18.511 22.971 1.00 0.00 ATOM 550 CB LEU 66 29.055 17.288 23.566 1.00 0.00 ATOM 551 CG LEU 66 30.555 17.173 23.286 1.00 0.00 ATOM 552 CD1 LEU 66 31.145 16.037 24.109 1.00 0.00 ATOM 553 CD2 LEU 66 30.784 16.938 21.798 1.00 0.00 ATOM 554 O LEU 66 26.273 17.813 22.072 1.00 0.00 ATOM 555 C LEU 66 26.861 18.395 22.984 1.00 0.00 ATOM 556 N THR 67 26.202 18.914 24.040 1.00 0.00 ATOM 557 CA THR 67 24.782 18.716 24.131 1.00 0.00 ATOM 558 CB THR 67 24.405 17.686 25.244 1.00 0.00 ATOM 559 CG2 THR 67 25.176 16.385 25.102 1.00 0.00 ATOM 560 OG1 THR 67 24.807 18.191 26.530 1.00 0.00 ATOM 561 O THR 67 24.681 21.024 24.802 1.00 0.00 ATOM 562 C THR 67 24.075 20.004 24.459 1.00 0.00 ATOM 563 N VAL 68 22.774 19.959 24.395 1.00 0.00 ATOM 564 CA VAL 68 21.940 21.086 24.796 1.00 0.00 ATOM 565 CB VAL 68 20.383 20.422 24.989 1.00 0.00 ATOM 566 CG1 VAL 68 19.169 21.418 24.875 1.00 0.00 ATOM 567 CG2 VAL 68 20.169 19.141 24.114 1.00 0.00 ATOM 568 O VAL 68 22.156 22.574 26.638 1.00 0.00 ATOM 569 C VAL 68 22.086 21.410 26.247 1.00 0.00 ATOM 570 N LYS 69 22.161 20.360 27.085 1.00 0.00 ATOM 571 CA LYS 69 22.167 20.509 28.508 1.00 0.00 ATOM 572 CB LYS 69 22.177 19.141 29.191 1.00 0.00 ATOM 573 CG LYS 69 20.876 18.360 29.053 1.00 0.00 ATOM 574 CD LYS 69 20.964 17.012 29.753 1.00 0.00 ATOM 575 CE LYS 69 19.674 16.221 29.596 1.00 0.00 ATOM 576 NZ LYS 69 19.756 14.886 30.248 1.00 0.00 ATOM 577 O LYS 69 23.262 22.200 29.841 1.00 0.00 ATOM 578 C LYS 69 23.371 21.325 28.960 1.00 0.00 ATOM 579 N ASP 70 24.533 21.016 28.400 1.00 0.00 ATOM 580 CA ASP 70 25.708 21.770 28.759 1.00 0.00 ATOM 581 CB ASP 70 26.936 21.231 28.023 1.00 0.00 ATOM 582 CG ASP 70 27.446 19.895 28.543 1.00 0.00 ATOM 583 OD1 ASP 70 27.016 19.486 29.596 1.00 0.00 ATOM 584 OD2 ASP 70 28.137 19.221 27.817 1.00 0.00 ATOM 585 O ASP 70 25.967 24.116 29.192 1.00 0.00 ATOM 586 C ASP 70 25.534 23.250 28.432 1.00 0.00 ATOM 587 N TYR 71 24.897 23.537 27.301 1.00 0.00 ATOM 588 CA TYR 71 24.683 24.882 26.911 1.00 0.00 ATOM 589 CB TYR 71 24.106 24.945 25.494 1.00 0.00 ATOM 590 CG TYR 71 23.595 26.314 25.102 1.00 0.00 ATOM 591 CD1 TYR 71 24.469 27.317 24.711 1.00 0.00 ATOM 592 CD2 TYR 71 22.237 26.598 25.122 1.00 0.00 ATOM 593 CE1 TYR 71 24.007 28.568 24.352 1.00 0.00 ATOM 594 CE2 TYR 71 21.763 27.845 24.763 1.00 0.00 ATOM 595 CZ TYR 71 22.652 28.828 24.380 1.00 0.00 ATOM 596 OH TYR 71 22.186 30.072 24.022 1.00 0.00 ATOM 597 O TYR 71 24.019 26.697 28.301 1.00 0.00 ATOM 598 C TYR 71 23.765 25.571 27.878 1.00 0.00 ATOM 599 N LEU 72 22.678 24.893 28.238 1.00 0.00 ATOM 600 CA LEU 72 21.713 25.457 29.174 1.00 0.00 ATOM 601 CB LEU 72 20.488 24.540 29.288 1.00 0.00 ATOM 602 CG LEU 72 19.385 25.038 30.229 1.00 0.00 ATOM 603 CD1 LEU 72 18.845 26.376 29.742 1.00 0.00 ATOM 604 CD2 LEU 72 18.273 24.002 30.303 1.00 0.00 ATOM 605 O LEU 72 21.934 26.651 31.243 1.00 0.00 ATOM 606 C LEU 72 22.274 25.674 30.575 1.00 0.00 ATOM 607 N ARG 73 23.133 24.762 31.019 1.00 0.00 ATOM 608 CA ARG 73 23.710 24.874 32.311 1.00 0.00 ATOM 609 CB ARG 73 24.610 23.699 32.668 1.00 0.00 ATOM 610 CG ARG 73 25.221 23.763 34.059 1.00 0.00 ATOM 611 CD ARG 73 26.099 22.612 34.395 1.00 0.00 ATOM 612 NE ARG 73 27.277 22.487 33.552 1.00 0.00 ATOM 613 CZ ARG 73 27.422 21.577 32.569 1.00 0.00 ATOM 614 NH1 ARG 73 26.485 20.688 32.327 1.00 0.00 ATOM 615 NH2 ARG 73 28.543 21.587 31.870 1.00 0.00 ATOM 616 O ARG 73 24.346 26.871 33.477 1.00 0.00 ATOM 617 C ARG 73 24.463 26.192 32.458 1.00 0.00 ATOM 618 N ASP 74 25.235 26.551 31.437 1.00 0.00 ATOM 619 CA ASP 74 25.979 27.768 31.475 1.00 0.00 ATOM 620 CB ASP 74 26.901 27.996 30.267 1.00 0.00 ATOM 621 CG ASP 74 28.081 27.054 30.440 1.00 0.00 ATOM 622 OD1 ASP 74 27.989 26.146 31.307 1.00 0.00 ATOM 623 OD2 ASP 74 29.098 27.234 29.719 1.00 0.00 ATOM 624 O ASP 74 25.279 29.917 32.277 1.00 0.00 ATOM 625 C ASP 74 25.009 28.939 31.580 1.00 0.00 ATOM 626 N ILE 75 23.879 28.838 30.886 1.00 0.00 ATOM 627 CA ILE 75 22.917 29.871 30.922 1.00 0.00 ATOM 628 CB ILE 75 21.798 29.713 29.863 1.00 0.00 ATOM 629 CG1 ILE 75 22.383 29.725 28.434 1.00 0.00 ATOM 630 CG2 ILE 75 20.748 30.820 30.015 1.00 0.00 ATOM 631 CD1 ILE 75 23.213 30.948 28.080 1.00 0.00 ATOM 632 O ILE 75 22.201 31.068 32.875 1.00 0.00 ATOM 633 C ILE 75 22.391 29.970 32.350 1.00 0.00 ATOM 634 N ASP 76 22.157 28.821 32.977 1.00 0.00 ATOM 635 CA ASP 76 21.673 28.811 34.298 1.00 0.00 ATOM 636 CB ASP 76 21.472 27.373 34.781 1.00 0.00 ATOM 637 CG ASP 76 21.037 27.254 36.236 1.00 0.00 ATOM 638 OD1 ASP 76 19.984 27.749 36.563 1.00 0.00 ATOM 639 OD2 ASP 76 21.677 26.539 36.970 1.00 0.00 ATOM 640 O ASP 76 22.197 30.127 36.210 1.00 0.00 ATOM 641 C ASP 76 22.615 29.523 35.222 1.00 0.00 ATOM 642 N LEU 77 23.905 29.458 34.907 1.00 0.00 ATOM 643 CA LEU 77 24.916 30.114 35.729 1.00 0.00 ATOM 644 CB LEU 77 26.322 29.774 35.217 1.00 0.00 ATOM 645 CG LEU 77 26.775 28.330 35.461 1.00 0.00 ATOM 646 CD1 LEU 77 28.100 28.072 34.756 1.00 0.00 ATOM 647 CD2 LEU 77 26.904 28.083 36.956 1.00 0.00 ATOM 648 O LEU 77 24.903 32.256 36.807 1.00 0.00 ATOM 649 C LEU 77 24.697 31.621 35.772 1.00 0.00 ATOM 650 N ILE 78 24.280 32.194 34.646 1.00 0.00 ATOM 651 CA ILE 78 24.052 33.570 34.593 1.00 0.00 ATOM 652 CB ILE 78 23.599 34.068 33.209 1.00 0.00 ATOM 653 CG1 ILE 78 24.734 33.841 32.205 1.00 0.00 ATOM 654 CG2 ILE 78 23.202 35.542 33.262 1.00 0.00 ATOM 655 CD1 ILE 78 24.335 34.088 30.766 1.00 0.00 ATOM 656 O ILE 78 23.245 34.945 36.355 1.00 0.00 ATOM 657 C ILE 78 23.048 33.977 35.620 1.00 0.00 ATOM 658 N CYS 79 21.947 33.234 35.687 1.00 0.00 ATOM 659 CA CYS 79 20.894 33.529 36.652 1.00 0.00 ATOM 660 CB CYS 79 19.641 32.648 36.514 1.00 0.00 ATOM 661 SG CYS 79 18.319 33.102 37.669 1.00 0.00 ATOM 662 O CYS 79 21.001 34.065 38.981 1.00 0.00 ATOM 663 C CYS 79 21.331 33.289 38.083 1.00 0.00 ATOM 664 N SER 80 22.079 32.211 38.301 1.00 0.00 ATOM 665 CA SER 80 22.560 31.883 39.638 1.00 0.00 ATOM 666 CB SER 80 23.194 30.507 39.691 1.00 0.00 ATOM 667 OG SER 80 22.250 29.485 39.531 1.00 0.00 ATOM 668 O SER 80 23.355 33.471 41.185 1.00 0.00 ATOM 669 C SER 80 23.501 32.906 40.101 1.00 0.00 ATOM 670 N ASN 81 24.508 33.180 39.277 1.00 0.00 ATOM 671 CA ASN 81 25.513 34.181 39.616 1.00 0.00 ATOM 672 CB ASN 81 26.551 34.287 38.515 1.00 0.00 ATOM 673 CG ASN 81 27.322 33.017 38.286 1.00 0.00 ATOM 674 ND2 ASN 81 27.794 32.854 37.076 1.00 0.00 ATOM 675 OD1 ASN 81 27.551 32.230 39.211 1.00 0.00 ATOM 676 O ASN 81 25.163 36.318 40.654 1.00 0.00 ATOM 677 C ASN 81 24.810 35.571 39.761 1.00 0.00 ATOM 678 N ALA 82 23.862 35.814 38.844 1.00 0.00 ATOM 679 CA ALA 82 23.079 37.090 38.812 1.00 0.00 ATOM 680 CB ALA 82 22.081 37.406 37.684 1.00 0.00 ATOM 681 O ALA 82 22.411 38.192 40.803 1.00 0.00 ATOM 682 C ALA 82 22.323 37.187 40.100 1.00 0.00 ATOM 683 N LEU 83 21.554 36.145 40.461 1.00 0.00 ATOM 684 CA LEU 83 20.774 36.215 41.662 1.00 0.00 ATOM 685 CB LEU 83 19.776 35.066 41.729 1.00 0.00 ATOM 686 CG LEU 83 18.861 35.046 42.964 1.00 0.00 ATOM 687 CD1 LEU 83 18.084 36.354 43.134 1.00 0.00 ATOM 688 CD2 LEU 83 17.929 33.837 42.888 1.00 0.00 ATOM 689 O LEU 83 21.338 36.919 43.891 1.00 0.00 ATOM 690 C LEU 83 21.613 36.177 42.922 1.00 0.00 ATOM 691 N GLU 84 22.590 35.337 42.913 1.00 0.00 ATOM 692 CA GLU 84 23.462 35.148 44.071 1.00 0.00 ATOM 693 CB GLU 84 24.483 34.040 43.962 1.00 0.00 ATOM 694 CG GLU 84 24.366 33.137 45.188 1.00 0.00 ATOM 695 CD GLU 84 25.743 32.608 45.544 1.00 0.00 ATOM 696 OE1 GLU 84 26.588 32.611 44.624 1.00 0.00 ATOM 697 OE2 GLU 84 25.926 32.214 46.716 1.00 0.00 ATOM 698 O GLU 84 24.142 36.837 45.593 1.00 0.00 ATOM 699 C GLU 84 24.181 36.410 44.442 1.00 0.00 ATOM 700 N TYR 85 24.815 37.069 43.461 1.00 0.00 ATOM 701 CA TYR 85 25.549 38.275 43.713 1.00 0.00 ATOM 702 CB TYR 85 26.435 38.670 42.519 1.00 0.00 ATOM 703 CG TYR 85 26.991 40.021 42.793 1.00 0.00 ATOM 704 CD1 TYR 85 27.913 40.212 43.791 1.00 0.00 ATOM 705 CD2 TYR 85 26.601 41.100 42.033 1.00 0.00 ATOM 706 CE1 TYR 85 28.433 41.457 44.050 1.00 0.00 ATOM 707 CE2 TYR 85 27.116 42.351 42.284 1.00 0.00 ATOM 708 CZ TYR 85 28.032 42.531 43.292 1.00 0.00 ATOM 709 OH TYR 85 28.564 43.809 43.557 1.00 0.00 ATOM 710 O TYR 85 25.011 40.196 45.005 1.00 0.00 ATOM 711 C TYR 85 24.699 39.475 44.065 1.00 0.00 ATOM 712 N ASN 86 23.878 39.845 42.969 1.00 0.00 ATOM 713 CA ASN 86 23.258 41.153 42.941 1.00 0.00 ATOM 714 CB ASN 86 21.957 41.171 42.132 1.00 0.00 ATOM 715 CG ASN 86 22.332 40.978 40.673 1.00 0.00 ATOM 716 ND2 ASN 86 23.597 41.315 40.304 1.00 0.00 ATOM 717 OD1 ASN 86 21.515 40.527 39.876 1.00 0.00 ATOM 718 O ASN 86 22.494 41.383 45.237 1.00 0.00 ATOM 719 C ASN 86 23.004 41.885 44.235 1.00 0.00 ATOM 720 N PRO 87 23.408 43.141 44.149 1.00 0.00 ATOM 721 CA PRO 87 23.167 44.106 45.195 1.00 0.00 ATOM 722 CB PRO 87 24.218 45.170 44.915 1.00 0.00 ATOM 723 CG PRO 87 24.377 45.157 43.438 1.00 0.00 ATOM 724 CD PRO 87 24.236 43.699 43.051 1.00 0.00 ATOM 725 O PRO 87 21.160 44.660 44.003 1.00 0.00 ATOM 726 C PRO 87 21.757 44.674 45.080 1.00 0.00 ATOM 727 N ASP 88 21.226 45.174 46.191 1.00 0.00 ATOM 728 CA ASP 88 19.918 45.730 46.187 1.00 0.00 ATOM 729 CB ASP 88 19.097 45.439 47.462 1.00 0.00 ATOM 730 CG ASP 88 18.826 43.964 47.696 1.00 0.00 ATOM 731 OD1 ASP 88 19.326 43.118 46.911 1.00 0.00 ATOM 732 OD2 ASP 88 18.108 43.664 48.686 1.00 0.00 ATOM 733 O ASP 88 21.167 47.756 46.520 1.00 0.00 ATOM 734 C ASP 88 20.066 47.258 46.237 1.00 0.00 ATOM 735 N ARG 89 18.893 47.855 46.098 1.00 0.00 ATOM 736 CA ARG 89 18.728 49.314 46.315 1.00 0.00 ATOM 737 CB ARG 89 18.547 49.284 48.077 1.00 0.00 ATOM 738 CG ARG 89 17.644 50.303 48.773 1.00 0.00 ATOM 739 CD ARG 89 17.536 50.090 50.280 1.00 0.00 ATOM 740 NE ARG 89 16.780 48.889 50.622 1.00 0.00 ATOM 741 CZ ARG 89 15.459 48.770 50.502 1.00 0.00 ATOM 742 NH1 ARG 89 14.728 49.783 50.053 1.00 0.00 ATOM 743 NH2 ARG 89 14.867 47.622 50.811 1.00 0.00 ATOM 744 O ARG 89 19.873 51.272 45.639 1.00 0.00 ATOM 745 C ARG 89 19.506 50.135 45.350 1.00 0.00 ATOM 746 N ASP 90 19.775 49.579 44.164 1.00 0.00 ATOM 747 CA ASP 90 20.375 50.364 43.138 1.00 0.00 ATOM 748 CB ASP 90 21.815 49.899 42.814 1.00 0.00 ATOM 749 CG ASP 90 21.862 48.431 42.425 1.00 0.00 ATOM 750 OD1 ASP 90 20.786 47.792 42.311 1.00 0.00 ATOM 751 OD2 ASP 90 23.001 47.921 42.257 1.00 0.00 ATOM 752 O ASP 90 18.956 49.253 41.590 1.00 0.00 ATOM 753 C ASP 90 19.517 50.297 41.918 1.00 0.00 ATOM 754 N PRO 91 19.324 51.399 41.263 1.00 0.00 ATOM 755 CA PRO 91 18.486 51.333 40.106 1.00 0.00 ATOM 756 CB PRO 91 18.186 52.783 39.738 1.00 0.00 ATOM 757 CG PRO 91 18.301 53.518 41.091 1.00 0.00 ATOM 758 CD PRO 91 19.320 52.690 41.891 1.00 0.00 ATOM 759 O PRO 91 20.339 50.619 38.760 1.00 0.00 ATOM 760 C PRO 91 19.135 50.507 39.001 1.00 0.00 ATOM 761 N GLY 92 18.340 49.681 38.331 1.00 0.00 ATOM 762 CA GLY 92 18.852 48.865 37.274 1.00 0.00 ATOM 763 O GLY 92 18.782 46.523 36.822 1.00 0.00 ATOM 764 C GLY 92 18.891 47.410 37.669 1.00 0.00 ATOM 765 N ASP 93 19.048 47.156 38.964 1.00 0.00 ATOM 766 CA ASP 93 19.097 45.787 39.465 1.00 0.00 ATOM 767 CB ASP 93 19.351 45.672 40.977 1.00 0.00 ATOM 768 CG ASP 93 19.403 44.193 41.341 1.00 0.00 ATOM 769 OD1 ASP 93 19.669 43.361 40.431 1.00 0.00 ATOM 770 OD2 ASP 93 19.161 43.870 42.534 1.00 0.00 ATOM 771 O ASP 93 17.750 43.890 38.968 1.00 0.00 ATOM 772 C ASP 93 17.794 45.084 39.258 1.00 0.00 ATOM 773 N ARG 94 16.690 45.837 39.356 1.00 0.00 ATOM 774 CA ARG 94 15.379 45.261 39.372 1.00 0.00 ATOM 775 CB ARG 94 14.316 46.367 39.487 1.00 0.00 ATOM 776 CG ARG 94 12.880 45.864 39.538 1.00 0.00 ATOM 777 CD ARG 94 11.849 46.983 39.709 1.00 0.00 ATOM 778 NE ARG 94 11.542 47.543 38.360 1.00 0.00 ATOM 779 CZ ARG 94 11.798 48.854 38.077 1.00 0.00 ATOM 780 NH1 ARG 94 12.326 49.671 39.031 1.00 0.00 ATOM 781 NH2 ARG 94 11.518 49.347 36.835 1.00 0.00 ATOM 782 O ARG 94 14.656 43.386 38.115 1.00 0.00 ATOM 783 C ARG 94 15.154 44.511 38.099 1.00 0.00 ATOM 784 N LEU 95 15.519 45.104 36.952 1.00 0.00 ATOM 785 CA LEU 95 15.270 44.454 35.700 1.00 0.00 ATOM 786 CB LEU 95 15.246 45.426 34.518 1.00 0.00 ATOM 787 CG LEU 95 14.028 46.360 34.481 1.00 0.00 ATOM 788 CD1 LEU 95 14.066 47.273 33.258 1.00 0.00 ATOM 789 CD2 LEU 95 12.696 45.604 34.553 1.00 0.00 ATOM 790 O LEU 95 15.953 42.367 34.782 1.00 0.00 ATOM 791 C LEU 95 16.303 43.357 35.411 1.00 0.00 ATOM 792 N ILE 96 17.542 43.538 35.927 1.00 0.00 ATOM 793 CA ILE 96 18.650 42.651 35.487 1.00 0.00 ATOM 794 CB ILE 96 20.010 43.313 35.899 1.00 0.00 ATOM 795 CG1 ILE 96 20.258 44.565 35.053 1.00 0.00 ATOM 796 CG2 ILE 96 21.150 42.313 35.740 1.00 0.00 ATOM 797 CD1 ILE 96 21.384 45.439 35.552 1.00 0.00 ATOM 798 O ILE 96 18.757 40.257 35.374 1.00 0.00 ATOM 799 C ILE 96 18.428 41.245 36.033 1.00 0.00 ATOM 800 N ARG 97 17.869 41.156 37.235 1.00 0.00 ATOM 801 CA ARG 97 17.617 39.886 37.832 1.00 0.00 ATOM 802 CB ARG 97 17.205 40.010 39.292 1.00 0.00 ATOM 803 CG ARG 97 18.318 40.437 40.236 1.00 0.00 ATOM 804 CD ARG 97 17.891 40.606 41.649 1.00 0.00 ATOM 805 NE ARG 97 18.945 41.045 42.548 1.00 0.00 ATOM 806 CZ ARG 97 18.773 41.310 43.858 1.00 0.00 ATOM 807 NH1 ARG 97 17.586 41.217 44.417 1.00 0.00 ATOM 808 NH2 ARG 97 19.825 41.687 44.562 1.00 0.00 ATOM 809 O ARG 97 16.772 37.946 36.750 1.00 0.00 ATOM 810 C ARG 97 16.602 39.131 37.037 1.00 0.00 ATOM 811 N HIS 98 15.524 39.814 36.665 1.00 0.00 ATOM 812 CA HIS 98 14.464 39.188 35.883 1.00 0.00 ATOM 813 CB HIS 98 13.293 40.157 35.690 1.00 0.00 ATOM 814 CG HIS 98 12.167 39.585 34.886 1.00 0.00 ATOM 815 CD2 HIS 98 11.749 39.847 33.626 1.00 0.00 ATOM 816 ND1 HIS 98 11.319 38.614 35.377 1.00 0.00 ATOM 817 CE1 HIS 98 10.427 38.305 34.451 1.00 0.00 ATOM 818 NE2 HIS 98 10.666 39.038 33.380 1.00 0.00 ATOM 819 O HIS 98 14.670 37.615 34.048 1.00 0.00 ATOM 820 C HIS 98 14.995 38.717 34.492 1.00 0.00 ATOM 821 N ARG 99 15.796 39.551 33.837 1.00 0.00 ATOM 822 CA ARG 99 16.347 39.203 32.533 1.00 0.00 ATOM 823 CB ARG 99 17.166 40.324 31.922 1.00 0.00 ATOM 824 CG ARG 99 16.331 41.471 31.431 1.00 0.00 ATOM 825 CD ARG 99 17.214 42.621 30.989 1.00 0.00 ATOM 826 NE ARG 99 16.414 43.751 30.532 1.00 0.00 ATOM 827 CZ ARG 99 16.913 44.899 30.084 1.00 0.00 ATOM 828 NH1 ARG 99 18.228 45.079 30.036 1.00 0.00 ATOM 829 NH2 ARG 99 16.093 45.869 29.695 1.00 0.00 ATOM 830 O ARG 99 17.203 37.045 31.865 1.00 0.00 ATOM 831 C ARG 99 17.273 38.007 32.635 1.00 0.00 ATOM 832 N ALA 100 18.260 38.104 33.546 1.00 0.00 ATOM 833 CA ALA 100 19.239 37.033 33.686 1.00 0.00 ATOM 834 CB ALA 100 20.186 37.271 34.855 1.00 0.00 ATOM 835 O ALA 100 18.922 34.698 33.366 1.00 0.00 ATOM 836 C ALA 100 18.601 35.714 33.984 1.00 0.00 ATOM 837 N CYS 101 17.682 35.713 34.945 1.00 0.00 ATOM 838 CA CYS 101 16.988 34.488 35.324 1.00 0.00 ATOM 839 CB CYS 101 16.131 34.792 36.559 1.00 0.00 ATOM 840 SG CYS 101 17.163 34.807 38.059 1.00 0.00 ATOM 841 O CYS 101 16.071 32.623 34.105 1.00 0.00 ATOM 842 C CYS 101 16.197 33.846 34.169 1.00 0.00 ATOM 843 N ALA 102 15.675 34.673 33.270 1.00 0.00 ATOM 844 CA ALA 102 14.910 34.171 32.134 1.00 0.00 ATOM 845 CB ALA 102 13.782 35.203 31.838 1.00 0.00 ATOM 846 O ALA 102 15.246 33.467 29.867 1.00 0.00 ATOM 847 C ALA 102 15.750 33.939 30.890 1.00 0.00 ATOM 848 N LEU 103 16.912 34.350 31.039 1.00 0.00 ATOM 849 CA LEU 103 17.793 34.049 29.901 1.00 0.00 ATOM 850 CB LEU 103 19.165 34.502 30.035 1.00 0.00 ATOM 851 CG LEU 103 20.048 34.152 28.826 1.00 0.00 ATOM 852 CD1 LEU 103 19.570 34.856 27.549 1.00 0.00 ATOM 853 CD2 LEU 103 21.492 34.493 29.086 1.00 0.00 ATOM 854 O LEU 103 17.685 31.899 28.835 1.00 0.00 ATOM 855 C LEU 103 17.785 32.531 29.896 1.00 0.00 ATOM 856 N ARG 104 17.863 31.961 31.087 1.00 0.00 ATOM 857 CA ARG 104 17.738 30.524 31.181 1.00 0.00 ATOM 858 CB ARG 104 18.000 30.082 32.656 1.00 0.00 ATOM 859 CG ARG 104 17.884 28.579 32.864 1.00 0.00 ATOM 860 CD ARG 104 17.597 28.206 34.310 1.00 0.00 ATOM 861 NE ARG 104 16.217 28.497 34.682 1.00 0.00 ATOM 862 CZ ARG 104 15.778 28.504 35.931 1.00 0.00 ATOM 863 NH1 ARG 104 16.622 28.229 36.915 1.00 0.00 ATOM 864 NH2 ARG 104 14.502 28.780 36.172 1.00 0.00 ATOM 865 O ARG 104 16.336 29.095 29.922 1.00 0.00 ATOM 866 C ARG 104 16.423 30.037 30.709 1.00 0.00 ATOM 867 N ASP 105 15.361 30.678 31.188 1.00 0.00 ATOM 868 CA ASP 105 14.010 30.295 30.800 1.00 0.00 ATOM 869 CB ASP 105 12.905 31.174 31.401 1.00 0.00 ATOM 870 CG ASP 105 12.893 30.929 32.899 1.00 0.00 ATOM 871 OD1 ASP 105 13.484 29.903 33.334 1.00 0.00 ATOM 872 OD2 ASP 105 12.294 31.760 33.631 1.00 0.00 ATOM 873 O ASP 105 13.228 29.476 28.675 1.00 0.00 ATOM 874 C ASP 105 13.795 30.384 29.292 1.00 0.00 ATOM 875 N THR 106 14.264 31.459 28.741 1.00 0.00 ATOM 876 CA THR 106 14.099 31.675 27.312 1.00 0.00 ATOM 877 CB THR 106 14.617 33.033 26.820 1.00 0.00 ATOM 878 CG2 THR 106 14.294 33.272 25.376 1.00 0.00 ATOM 879 OG1 THR 106 14.012 34.078 27.603 1.00 0.00 ATOM 880 O THR 106 14.250 30.000 25.598 1.00 0.00 ATOM 881 C THR 106 14.828 30.619 26.491 1.00 0.00 ATOM 882 N ALA 107 16.063 30.423 26.792 1.00 0.00 ATOM 883 CA ALA 107 16.841 29.434 26.065 1.00 0.00 ATOM 884 CB ALA 107 18.254 29.365 26.509 1.00 0.00 ATOM 885 O ALA 107 16.148 27.284 25.258 1.00 0.00 ATOM 886 C ALA 107 16.267 28.032 26.230 1.00 0.00 ATOM 887 N TYR 108 15.911 27.677 27.460 1.00 0.00 ATOM 888 CA TYR 108 15.364 26.392 27.715 1.00 0.00 ATOM 889 CB TYR 108 15.106 26.175 29.208 1.00 0.00 ATOM 890 CG TYR 108 14.264 24.957 29.514 1.00 0.00 ATOM 891 CD1 TYR 108 14.817 23.685 29.495 1.00 0.00 ATOM 892 CD2 TYR 108 12.918 25.082 29.822 1.00 0.00 ATOM 893 CE1 TYR 108 14.054 22.569 29.773 1.00 0.00 ATOM 894 CE2 TYR 108 12.142 23.972 30.102 1.00 0.00 ATOM 895 CZ TYR 108 12.715 22.717 30.077 1.00 0.00 ATOM 896 OH TYR 108 11.949 21.609 30.358 1.00 0.00 ATOM 897 O TYR 108 13.838 25.148 26.344 1.00 0.00 ATOM 898 C TYR 108 14.078 26.213 26.915 1.00 0.00 ATOM 899 N ALA 109 13.255 27.255 26.872 1.00 0.00 ATOM 900 CA ALA 109 12.046 27.185 26.157 1.00 0.00 ATOM 901 CB ALA 109 11.194 28.467 26.200 1.00 0.00 ATOM 902 O ALA 109 11.560 26.027 24.148 1.00 0.00 ATOM 903 C ALA 109 12.252 26.868 24.722 1.00 0.00 ATOM 904 N ILE 110 13.220 27.545 24.110 1.00 0.00 ATOM 905 CA ILE 110 13.523 27.323 22.702 1.00 0.00 ATOM 906 CB ILE 110 14.592 28.280 22.143 1.00 0.00 ATOM 907 CG1 ILE 110 14.142 29.736 22.303 1.00 0.00 ATOM 908 CG2 ILE 110 14.878 27.964 20.683 1.00 0.00 ATOM 909 CD1 ILE 110 12.867 30.064 21.558 1.00 0.00 ATOM 910 O ILE 110 13.561 25.261 21.535 1.00 0.00 ATOM 911 C ILE 110 13.976 25.926 22.485 1.00 0.00 ATOM 912 N ILE 111 14.846 25.451 23.370 1.00 0.00 ATOM 913 CA ILE 111 15.364 24.093 23.268 1.00 0.00 ATOM 914 CB ILE 111 16.345 23.711 24.323 1.00 0.00 ATOM 915 CG1 ILE 111 17.643 24.509 24.074 1.00 0.00 ATOM 916 CG2 ILE 111 16.625 22.201 24.280 1.00 0.00 ATOM 917 CD1 ILE 111 18.571 24.589 25.259 1.00 0.00 ATOM 918 O ILE 111 14.162 22.169 22.503 1.00 0.00 ATOM 919 C ILE 111 14.236 23.065 23.351 1.00 0.00 ATOM 920 N LYS 112 13.431 23.275 24.327 1.00 0.00 ATOM 921 CA LYS 112 12.335 22.308 24.473 1.00 0.00 ATOM 922 CB LYS 112 11.526 22.506 25.756 1.00 0.00 ATOM 923 CG LYS 112 10.421 21.478 25.966 1.00 0.00 ATOM 924 CD LYS 112 9.713 21.692 27.295 1.00 0.00 ATOM 925 CE LYS 112 8.587 20.687 27.492 1.00 0.00 ATOM 926 NZ LYS 112 7.874 20.895 28.783 1.00 0.00 ATOM 927 O LYS 112 11.072 21.240 22.712 1.00 0.00 ATOM 928 C LYS 112 11.416 22.295 23.268 1.00 0.00 ATOM 929 N GLU 113 11.004 23.456 22.915 1.00 0.00 ATOM 930 CA GLU 113 10.084 23.515 21.770 1.00 0.00 ATOM 931 CB GLU 113 9.558 24.926 21.497 1.00 0.00 ATOM 932 CG GLU 113 8.646 25.477 22.583 1.00 0.00 ATOM 933 CD GLU 113 8.278 26.910 22.311 1.00 0.00 ATOM 934 OE1 GLU 113 8.775 27.460 21.358 1.00 0.00 ATOM 935 OE2 GLU 113 7.415 27.420 22.988 1.00 0.00 ATOM 936 O GLU 113 10.203 22.336 19.697 1.00 0.00 ATOM 937 C GLU 113 10.798 23.001 20.516 1.00 0.00 ATOM 938 N GLU 114 12.147 23.173 20.308 1.00 0.00 ATOM 939 CA GLU 114 12.866 22.851 19.099 1.00 0.00 ATOM 940 CB GLU 114 14.020 23.811 18.800 1.00 0.00 ATOM 941 CG GLU 114 13.585 25.214 18.403 1.00 0.00 ATOM 942 CD GLU 114 12.719 25.190 17.175 1.00 0.00 ATOM 943 OE1 GLU 114 13.125 24.613 16.196 1.00 0.00 ATOM 944 OE2 GLU 114 11.604 25.652 17.250 1.00 0.00 ATOM 945 O GLU 114 13.717 20.798 18.125 1.00 0.00 ATOM 946 C GLU 114 13.562 21.474 19.146 1.00 0.00 ATOM 947 N LEU 115 13.945 21.061 20.242 1.00 0.00 ATOM 948 CA LEU 115 14.777 19.865 20.326 1.00 0.00 ATOM 949 CB LEU 115 15.316 19.572 21.712 1.00 0.00 ATOM 950 CG LEU 115 16.803 19.945 21.789 1.00 0.00 ATOM 951 CD1 LEU 115 16.969 21.434 21.531 1.00 0.00 ATOM 952 CD2 LEU 115 17.395 19.564 23.140 1.00 0.00 ATOM 953 O LEU 115 14.564 17.879 19.071 1.00 0.00 ATOM 954 C LEU 115 14.054 18.620 19.906 1.00 0.00 ATOM 955 N ASP 116 12.847 18.351 20.423 1.00 0.00 ATOM 956 CA ASP 116 12.168 17.133 20.081 1.00 0.00 ATOM 957 CB ASP 116 12.094 16.776 18.583 1.00 0.00 ATOM 958 CG ASP 116 10.931 17.555 17.979 1.00 0.00 ATOM 959 OD1 ASP 116 10.128 18.107 18.776 1.00 0.00 ATOM 960 OD2 ASP 116 10.817 17.595 16.724 1.00 0.00 ATOM 961 O ASP 116 13.984 15.875 20.978 1.00 0.00 ATOM 962 C ASP 116 12.769 16.011 20.850 1.00 0.00 ATOM 963 N GLU 117 11.867 15.183 21.393 1.00 0.00 ATOM 964 CA GLU 117 12.162 14.079 22.253 1.00 0.00 ATOM 965 CB GLU 117 10.871 13.436 22.761 1.00 0.00 ATOM 966 CG GLU 117 10.095 14.284 23.760 1.00 0.00 ATOM 967 CD GLU 117 8.780 13.646 24.113 1.00 0.00 ATOM 968 OE1 GLU 117 8.462 12.630 23.544 1.00 0.00 ATOM 969 OE2 GLU 117 8.145 14.111 25.030 1.00 0.00 ATOM 970 O GLU 117 14.046 12.624 22.140 1.00 0.00 ATOM 971 C GLU 117 13.053 13.078 21.571 1.00 0.00 ATOM 972 N ASP 118 12.702 12.723 20.339 1.00 0.00 ATOM 973 CA ASP 118 13.490 11.762 19.576 1.00 0.00 ATOM 974 CB ASP 118 12.830 11.453 18.230 1.00 0.00 ATOM 975 CG ASP 118 11.561 10.619 18.330 1.00 0.00 ATOM 976 OD1 ASP 118 11.306 10.082 19.382 1.00 0.00 ATOM 977 OD2 ASP 118 10.777 10.653 17.411 1.00 0.00 ATOM 978 O ASP 118 15.868 11.531 19.489 1.00 0.00 ATOM 979 C ASP 118 14.897 12.246 19.299 1.00 0.00 ATOM 980 N PHE 119 15.006 13.458 18.854 1.00 0.00 ATOM 981 CA PHE 119 16.298 14.016 18.577 1.00 0.00 ATOM 982 CB PHE 119 16.220 15.423 17.957 1.00 0.00 ATOM 983 CG PHE 119 17.569 16.031 17.735 1.00 0.00 ATOM 984 CD1 PHE 119 18.330 15.685 16.630 1.00 0.00 ATOM 985 CD2 PHE 119 18.112 16.857 18.667 1.00 0.00 ATOM 986 CE1 PHE 119 19.582 16.207 16.450 1.00 0.00 ATOM 987 CE2 PHE 119 19.366 17.390 18.493 1.00 0.00 ATOM 988 CZ PHE 119 20.096 17.059 17.377 1.00 0.00 ATOM 989 O PHE 119 18.368 13.612 19.720 1.00 0.00 ATOM 990 C PHE 119 17.210 14.023 19.799 1.00 0.00 ATOM 991 N GLU 120 16.686 14.490 20.929 1.00 0.00 ATOM 992 CA GLU 120 17.471 14.542 22.171 1.00 0.00 ATOM 993 CB GLU 120 16.623 15.140 23.295 1.00 0.00 ATOM 994 CG GLU 120 17.351 15.280 24.625 1.00 0.00 ATOM 995 CD GLU 120 16.488 15.964 25.651 1.00 0.00 ATOM 996 OE1 GLU 120 15.407 15.490 25.899 1.00 0.00 ATOM 997 OE2 GLU 120 16.956 16.892 26.267 1.00 0.00 ATOM 998 O GLU 120 19.134 12.955 22.891 1.00 0.00 ATOM 999 C GLU 120 17.967 13.134 22.538 1.00 0.00 ATOM 1000 N GLN 121 17.082 12.146 22.450 1.00 0.00 ATOM 1001 CA GLN 121 17.449 10.772 22.772 1.00 0.00 ATOM 1002 CB GLN 121 16.252 9.852 22.634 1.00 0.00 ATOM 1003 CG GLN 121 15.251 9.917 23.719 1.00 0.00 ATOM 1004 CD GLN 121 13.947 9.304 23.275 1.00 0.00 ATOM 1005 OE1 GLN 121 13.942 8.280 22.591 1.00 0.00 ATOM 1006 NE2 GLN 121 12.828 9.923 23.665 1.00 0.00 ATOM 1007 O GLN 121 19.463 9.589 22.220 1.00 0.00 ATOM 1008 C GLN 121 18.509 10.251 21.808 1.00 0.00 ATOM 1009 N LEU 122 18.342 10.551 20.523 1.00 0.00 ATOM 1010 CA LEU 122 19.288 10.111 19.529 1.00 0.00 ATOM 1011 CB LEU 122 18.778 10.522 18.143 1.00 0.00 ATOM 1012 CG LEU 122 19.685 10.128 16.971 1.00 0.00 ATOM 1013 CD1 LEU 122 19.826 8.613 16.905 1.00 0.00 ATOM 1014 CD2 LEU 122 19.104 10.671 15.673 1.00 0.00 ATOM 1015 O LEU 122 21.683 10.014 19.626 1.00 0.00 ATOM 1016 C LEU 122 20.672 10.704 19.766 1.00 0.00 ATOM 1017 N CYS 123 20.716 11.983 20.127 1.00 0.00 ATOM 1018 CA CYS 123 21.953 12.620 20.371 1.00 0.00 ATOM 1019 CB CYS 123 21.746 14.106 20.662 1.00 0.00 ATOM 1020 SG CYS 123 23.273 15.031 20.910 1.00 0.00 ATOM 1021 O CYS 123 23.939 11.827 21.458 1.00 0.00 ATOM 1022 C CYS 123 22.718 11.975 21.521 1.00 0.00 ATOM 1023 N GLU 124 22.000 11.589 22.571 1.00 0.00 ATOM 1024 CA GLU 124 22.622 10.971 23.701 1.00 0.00 ATOM 1025 CB GLU 124 21.600 10.645 24.792 1.00 0.00 ATOM 1026 CG GLU 124 21.053 11.862 25.526 1.00 0.00 ATOM 1027 CD GLU 124 19.963 11.478 26.485 1.00 0.00 ATOM 1028 OE1 GLU 124 19.599 10.326 26.512 1.00 0.00 ATOM 1029 OE2 GLU 124 19.568 12.307 27.270 1.00 0.00 ATOM 1030 O GLU 124 24.515 9.493 23.642 1.00 0.00 ATOM 1031 C GLU 124 23.356 9.698 23.278 1.00 0.00 ATOM 1032 N GLU 125 22.681 8.847 22.513 1.00 0.00 ATOM 1033 CA GLU 125 23.285 7.603 22.050 1.00 0.00 ATOM 1034 CB GLU 125 22.245 6.758 21.311 1.00 0.00 ATOM 1035 CG GLU 125 21.159 6.172 22.205 1.00 0.00 ATOM 1036 CD GLU 125 20.115 5.455 21.395 1.00 0.00 ATOM 1037 OE1 GLU 125 20.203 5.479 20.192 1.00 0.00 ATOM 1038 OE2 GLU 125 19.294 4.788 21.981 1.00 0.00 ATOM 1039 O GLU 125 25.487 7.151 21.214 1.00 0.00 ATOM 1040 C GLU 125 24.499 7.884 21.172 1.00 0.00 ATOM 1041 N ILE 126 24.424 8.947 20.376 1.00 0.00 ATOM 1042 CA ILE 126 25.530 9.313 19.493 1.00 0.00 ATOM 1043 CB ILE 126 25.171 10.495 18.575 1.00 0.00 ATOM 1044 CG1 ILE 126 24.036 10.107 17.624 1.00 0.00 ATOM 1045 CG2 ILE 126 26.392 10.954 17.793 1.00 0.00 ATOM 1046 CD1 ILE 126 24.382 8.965 16.695 1.00 0.00 ATOM 1047 O ILE 126 27.857 9.173 20.062 1.00 0.00 ATOM 1048 C ILE 126 26.756 9.653 20.335 1.00 0.00 ATOM 1049 N GLN 127 26.563 10.480 21.358 1.00 0.00 ATOM 1050 CA GLN 127 27.670 10.877 22.236 1.00 0.00 ATOM 1051 CB GLN 127 27.167 11.859 23.293 1.00 0.00 ATOM 1052 CG GLN 127 28.216 12.313 24.303 1.00 0.00 ATOM 1053 CD GLN 127 29.346 13.093 23.663 1.00 0.00 ATOM 1054 OE1 GLN 127 29.120 13.937 22.795 1.00 0.00 ATOM 1055 NE2 GLN 127 30.572 12.829 24.101 1.00 0.00 ATOM 1056 O GLN 127 29.471 9.576 23.131 1.00 0.00 ATOM 1057 C GLN 127 28.255 9.676 22.959 1.00 0.00 ATOM 1058 N GLU 128 27.388 8.761 23.385 1.00 0.00 ATOM 1059 CA GLU 128 27.837 7.568 24.093 1.00 0.00 ATOM 1060 CB GLU 128 26.645 6.789 24.652 1.00 0.00 ATOM 1061 CG GLU 128 25.949 7.462 25.827 1.00 0.00 ATOM 1062 CD GLU 128 24.713 6.710 26.233 1.00 0.00 ATOM 1063 OE1 GLU 128 24.378 5.753 25.576 1.00 0.00 ATOM 1064 OE2 GLU 128 24.165 7.019 27.265 1.00 0.00 ATOM 1065 O GLU 128 29.781 6.299 23.532 1.00 0.00 ATOM 1066 C GLU 128 28.674 6.709 23.177 1.00 0.00 ATOM 1067 N SER 129 28.149 6.427 21.989 1.00 0.00 ATOM 1068 CA SER 129 28.866 5.608 21.019 1.00 0.00 ATOM 1069 CB SER 129 28.088 5.443 19.706 1.00 0.00 ATOM 1070 OG SER 129 28.805 4.604 18.813 1.00 0.00 ATOM 1071 O SER 129 31.230 5.640 20.878 1.00 0.00 ATOM 1072 C SER 129 30.175 6.240 20.678 1.00 0.00 ATOM 1073 N ARG 130 30.157 7.484 20.169 1.00 0.00 ATOM 1074 CA ARG 130 31.410 8.069 19.818 1.00 0.00 ATOM 1075 CB ARG 130 31.241 9.368 19.044 1.00 0.00 ATOM 1076 CG ARG 130 30.713 9.204 17.627 1.00 0.00 ATOM 1077 CD ARG 130 30.624 10.471 16.856 1.00 0.00 ATOM 1078 NE ARG 130 31.891 11.170 16.696 1.00 0.00 ATOM 1079 CZ ARG 130 32.015 12.441 16.271 1.00 0.00 ATOM 1080 NH1 ARG 130 30.959 13.146 15.924 1.00 0.00 ATOM 1081 NH2 ARG 130 33.229 12.955 16.185 1.00 0.00 ATOM 1082 O ARG 130 31.818 9.079 21.940 1.00 0.00 ATOM 1083 C ARG 130 32.209 8.226 21.101 1.00 0.00 TER END