PFRMAT TS TARGET T0374 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD T0374 got moderate hits to 2f14A and 2fe7A, and the HMMs got lots of METHOD hits to the d.108.1.1 SCOP domain (top 2ge3A). All of the alignments METHOD were in agreement except for some disagreement over the C-terminal, where METHOD t2k was predicting a helix and all others predicting a strand in the METHOD secondary structure. In all models there is a bulge in the beta strand METHOD at residues D74-A84. We attempted to remove the bulge, but were unable METHOD to do so. METHOD METHOD Model 1 is T0374.try14-opt2, our highest scoring model using Undertaker's METHOD unconstrained.costfcn cost function. This model came from METHOD try12-opt2 < try11-opt2.gromacs0. try11-opt2.gromacs0 came from METHOD an Undertaker run deriving a model from alignments (top alignment METHOD 1tiqA), applying the sheet and helix constraints from try6-opt2, METHOD and then re-optimizing with gromacs0. We chose try6-opt2 sheet METHOD and helix constraints because it had formed a nicer beta-sheet than METHOD previous models. METHOD METHOD Model 2 is T0374.try15-opt2, our second highest scoring model using METHOD Undertaker's unconstrained.costfcn cost function. This model METHOD is a slight variation on try14-opt2, based also on the try12-opt2 METHOD model, but aimed at improving breaks, clashes, and hydrophobic METHOD packing. METHOD METHOD Model 3 is T0374.try13-opt2.gromacs0.repack-nonPC, is not a great scoring METHOD model according to Undertaker, but its Rosetta-optimized structure, METHOD T0374.try13-opt2.gromacs0.repack-nonPC, is the highest scoring METHOD model according to Rosetta. try13-opt2 came from an optimization METHOD from all models, coming up with the then best current model try2-opt2 METHOD to start its optimization, then re-optimized by gromacs and repacked METHOD (except for PRO and CYS) by Rosetta. try2-opt2 was made during an METHOD Undertaker run starting from alignments (top alignment 1tiqA) using METHOD the sheet and helix constraints of try1-opt2, which seemed like METHOD reasonable constraints. However, there was disagreement over the METHOD C-terminal strand where the t2k predicted a helix, but all others METHOD believed it to be a strand. METHOD METHOD Model 4 is T0374.try6-opt2, a not terribly great scoring model according to METHOD Undertaker, but was better liked by Rosetta after its repacking of METHOD the sidechains. try6-opt2 is included here since it was one of METHOD the first models that had the beginnings of a well-formed edge strand. METHOD try6-opt2 was made from an Undertaker optimization of try3-opt2 < METHOD try2-opt2. try2-opt2 was made during an Undertaker run starting METHOD from alignments (top alignment 1tiqA) using the try1-opt2 sheet and METHOD helix constraints. METHOD METHOD Model 5 is T0374.try3-opt2.gromacs0.repack-nonPC is included mainly for METHOD a little bit of variety. It has average scores according to both METHOD Undertaker's unconstrained.costfcn cost function and Rosetta's METHOD cost function. It has a C-terminal helix where most of our METHOD models have a strand. This helix is predicted by t2k but is METHOD predicted to be strand by the others. try3-opt2 was an optimization METHOD of try2-opt2, then re-optimized by gromacs and repacked (except for METHOD PRO and CYS) by rosetta. try2-opt2 was made by Undertaker from METHOD alignments (top alignment 1tiqA) using the sheet and helix constraints METHOD from the try1-opt2 automatic model. METHOD REMARK 6 REMARK 6 T0374 model 1 Thu Aug 3 06:46:33 2006 MODEL 1 PARENT 2ge3_A 1yvo_A 1vhs_A 1tiq_A 2fe7_A REMARK 7 REMARK 7 ALLPARENTS 2ge3_A 1yvo_A 1vhs_A 1tiq_A 2fe7_A 2ae6_A 2cy2_A REMARK 7 ALLPARENTS 2bei_A 1z4e_A 1wwz_A 1s3z_A 1ghe_A 1yr0_A 2b5g_A REMARK 7 ALLPARENTS 1s7k_A 2fck_A 1yre_A 1qsm_A 1i12_A 2bl1_A 2fl4_A REMARK 7 ALLPARENTS 1on0_A 1vkc_A 1mk4_A 1cjw_A 1n71_A 2c27_A 1p0h_A REMARK 7 ALLPARENTS 2bsw_A 1yx0_A 1q2y_A 1nsl_A 1qst_A 2fsr_A 1u6m_A REMARK 7 ALLPARENTS 1z4r_A 2atr_A 1xeb_A 1y9w_A 1bo4_A ATOM 1 N MET 1 15.235 -4.335 8.148 1.00 0.00 ATOM 2 CA MET 1 14.444 -4.926 9.263 1.00 0.00 ATOM 3 CB MET 1 13.571 -3.847 9.933 1.00 0.00 ATOM 4 CG MET 1 12.118 -3.790 9.456 1.00 0.00 ATOM 5 SD MET 1 11.052 -2.443 10.364 1.00 0.00 ATOM 6 CE MET 1 10.322 -3.516 11.791 1.00 0.00 ATOM 7 O MET 1 13.507 -6.269 7.505 1.00 0.00 ATOM 8 C MET 1 13.569 -6.052 8.713 1.00 0.00 ATOM 9 N GLN 2 12.897 -6.784 9.594 1.00 0.00 ATOM 10 CA GLN 2 12.045 -7.878 9.147 1.00 0.00 ATOM 11 CB GLN 2 11.363 -8.302 10.700 1.00 0.00 ATOM 12 CG GLN 2 12.112 -7.844 11.936 1.00 0.00 ATOM 13 CD GLN 2 13.464 -8.505 12.062 1.00 0.00 ATOM 14 OE1 GLN 2 14.392 -8.195 11.311 1.00 0.00 ATOM 15 NE2 GLN 2 13.581 -9.431 13.006 1.00 0.00 ATOM 16 O GLN 2 10.445 -8.087 7.433 1.00 0.00 ATOM 17 C GLN 2 10.902 -7.368 8.303 1.00 0.00 ATOM 18 N LEU 3 10.460 -6.136 8.525 1.00 0.00 ATOM 19 CA LEU 3 9.380 -5.553 7.749 1.00 0.00 ATOM 20 CB LEU 3 8.346 -4.898 8.697 1.00 0.00 ATOM 21 CG LEU 3 7.613 -5.873 9.624 1.00 0.00 ATOM 22 CD1 LEU 3 6.795 -5.080 10.643 1.00 0.00 ATOM 23 CD2 LEU 3 6.753 -6.854 8.839 1.00 0.00 ATOM 24 O LEU 3 10.785 -3.685 7.249 1.00 0.00 ATOM 25 C LEU 3 9.916 -4.456 6.845 1.00 0.00 ATOM 26 N SER 4 9.349 -4.368 5.657 1.00 0.00 ATOM 27 CA SER 4 9.739 -3.322 4.707 1.00 0.00 ATOM 28 CB SER 4 10.778 -3.892 3.740 1.00 0.00 ATOM 29 OG SER 4 11.945 -4.303 4.428 1.00 0.00 ATOM 30 O SER 4 7.586 -3.572 3.689 1.00 0.00 ATOM 31 C SER 4 8.535 -2.824 3.924 1.00 0.00 ATOM 32 N HIS 5 8.602 -1.576 3.481 1.00 0.00 ATOM 33 CA HIS 5 7.512 -0.978 2.733 1.00 0.00 ATOM 34 CB HIS 5 6.859 0.181 3.497 1.00 0.00 ATOM 35 CG HIS 5 7.826 1.260 3.883 1.00 0.00 ATOM 36 CD2 HIS 5 8.610 1.443 4.977 1.00 0.00 ATOM 37 ND1 HIS 5 8.149 2.310 3.040 1.00 0.00 ATOM 38 CE1 HIS 5 9.048 3.092 3.595 1.00 0.00 ATOM 39 NE2 HIS 5 9.327 2.570 4.780 1.00 0.00 ATOM 40 O HIS 5 9.223 0.039 1.395 1.00 0.00 ATOM 41 C HIS 5 8.077 -0.416 1.440 1.00 0.00 ATOM 42 N ARG 6 7.169 -0.869 0.260 1.00 0.00 ATOM 43 CA ARG 6 7.617 -0.459 -1.067 1.00 0.00 ATOM 44 CB ARG 6 8.058 -1.676 -1.881 1.00 0.00 ATOM 45 CG ARG 6 9.246 -2.420 -1.293 1.00 0.00 ATOM 46 CD ARG 6 10.523 -1.604 -1.415 1.00 0.00 ATOM 47 NE ARG 6 11.693 -2.346 -0.947 1.00 0.00 ATOM 48 CZ ARG 6 12.103 -2.375 0.318 1.00 0.00 ATOM 49 NH1 ARG 6 13.177 -3.077 0.650 1.00 0.00 ATOM 50 NH2 ARG 6 11.436 -1.702 1.244 1.00 0.00 ATOM 51 O ARG 6 5.353 -0.218 -1.816 1.00 0.00 ATOM 52 C ARG 6 6.501 0.231 -1.840 1.00 0.00 ATOM 53 N PRO 7 6.840 1.316 -2.529 1.00 0.00 ATOM 54 CA PRO 7 5.854 2.037 -3.327 1.00 0.00 ATOM 55 CB PRO 7 6.552 3.356 -3.671 1.00 0.00 ATOM 56 CG PRO 7 8.008 3.034 -3.612 1.00 0.00 ATOM 57 CD PRO 7 8.159 1.979 -2.549 1.00 0.00 ATOM 58 O PRO 7 6.445 0.686 -5.218 1.00 0.00 ATOM 59 C PRO 7 5.539 1.193 -4.556 1.00 0.00 ATOM 60 N ALA 8 4.253 1.035 -4.852 1.00 0.00 ATOM 61 CA ALA 8 3.830 0.230 -5.994 1.00 0.00 ATOM 62 CB ALA 8 2.340 -0.065 -5.912 1.00 0.00 ATOM 63 O ALA 8 3.894 2.104 -7.495 1.00 0.00 ATOM 64 C ALA 8 4.083 0.899 -7.341 1.00 0.00 ATOM 65 N GLU 9 4.511 0.105 -8.317 1.00 0.00 ATOM 66 CA GLU 9 4.765 0.617 -9.659 1.00 0.00 ATOM 67 CB GLU 9 6.225 0.388 -10.059 1.00 0.00 ATOM 68 CG GLU 9 7.232 1.076 -9.153 1.00 0.00 ATOM 69 CD GLU 9 7.228 2.584 -9.313 1.00 0.00 ATOM 70 OE1 GLU 9 6.588 3.077 -10.264 1.00 0.00 ATOM 71 OE2 GLU 9 7.862 3.268 -8.485 1.00 0.00 ATOM 72 O GLU 9 3.047 -0.944 -10.258 1.00 0.00 ATOM 73 C GLU 9 3.864 -0.104 -10.642 1.00 0.00 ATOM 74 N THR 10 4.003 0.264 -11.982 1.00 0.00 ATOM 75 CA THR 10 3.178 -0.330 -13.015 1.00 0.00 ATOM 76 CB THR 10 3.547 0.206 -14.411 1.00 0.00 ATOM 77 CG2 THR 10 2.697 -0.462 -15.481 1.00 0.00 ATOM 78 OG1 THR 10 3.324 1.621 -14.457 1.00 0.00 ATOM 79 O THR 10 2.384 -2.564 -13.348 1.00 0.00 ATOM 80 C THR 10 3.340 -1.848 -13.065 1.00 0.00 ATOM 81 N GLY 11 4.542 -2.338 -12.784 1.00 0.00 ATOM 82 CA GLY 11 4.790 -3.776 -12.815 1.00 0.00 ATOM 83 O GLY 11 4.059 -5.756 -11.678 1.00 0.00 ATOM 84 C GLY 11 4.153 -4.529 -11.652 1.00 0.00 ATOM 85 N ASP 12 3.706 -3.795 -10.638 1.00 0.00 ATOM 86 CA ASP 12 3.071 -4.408 -9.472 1.00 0.00 ATOM 87 CB ASP 12 3.314 -3.561 -8.221 1.00 0.00 ATOM 88 CG ASP 12 4.784 -3.466 -7.856 1.00 0.00 ATOM 89 OD1 ASP 12 5.455 -4.518 -7.818 1.00 0.00 ATOM 90 OD2 ASP 12 5.263 -2.340 -7.611 1.00 0.00 ATOM 91 O ASP 12 0.868 -4.956 -8.726 1.00 0.00 ATOM 92 C ASP 12 1.563 -4.532 -9.643 1.00 0.00 ATOM 93 N LEU 13 1.066 -4.161 -10.818 1.00 0.00 ATOM 94 CA LEU 13 -0.367 -4.200 -11.106 1.00 0.00 ATOM 95 CB LEU 13 -0.712 -3.914 -12.545 1.00 0.00 ATOM 96 CG LEU 13 -0.188 -2.557 -13.047 1.00 0.00 ATOM 97 CD1 LEU 13 -0.719 -2.346 -14.433 1.00 0.00 ATOM 98 CD2 LEU 13 -0.587 -1.428 -12.143 1.00 0.00 ATOM 99 O LEU 13 -2.055 -5.577 -10.110 1.00 0.00 ATOM 100 C LEU 13 -1.041 -5.533 -10.803 1.00 0.00 ATOM 101 N GLU 14 -0.486 -6.621 -11.331 1.00 0.00 ATOM 102 CA GLU 14 -1.070 -7.938 -11.113 1.00 0.00 ATOM 103 CB GLU 14 -0.284 -9.005 -11.878 1.00 0.00 ATOM 104 CG GLU 14 -0.457 -8.941 -13.388 1.00 0.00 ATOM 105 CD GLU 14 0.429 -9.931 -14.118 1.00 0.00 ATOM 106 OE1 GLU 14 1.231 -10.616 -13.449 1.00 0.00 ATOM 107 OE2 GLU 14 0.321 -10.023 -15.360 1.00 0.00 ATOM 108 O GLU 14 -2.080 -8.855 -9.139 1.00 0.00 ATOM 109 C GLU 14 -1.079 -8.345 -9.643 1.00 0.00 ATOM 110 N THR 15 0.037 -8.122 -8.959 1.00 0.00 ATOM 111 CA THR 15 0.136 -8.465 -7.542 1.00 0.00 ATOM 112 CB THR 15 1.642 -8.402 -7.124 1.00 0.00 ATOM 113 CG2 THR 15 1.810 -8.665 -5.626 1.00 0.00 ATOM 114 OG1 THR 15 2.341 -9.380 -7.881 1.00 0.00 ATOM 115 O THR 15 -1.426 -8.117 -5.757 1.00 0.00 ATOM 116 C THR 15 -0.800 -7.621 -6.692 1.00 0.00 ATOM 117 N VAL 16 -0.881 -6.356 -7.026 1.00 0.00 ATOM 118 CA VAL 16 -1.750 -5.459 -6.280 1.00 0.00 ATOM 119 CB VAL 16 -1.662 -4.010 -6.793 1.00 0.00 ATOM 120 CG1 VAL 16 -2.748 -3.154 -6.161 1.00 0.00 ATOM 121 CG2 VAL 16 -0.309 -3.405 -6.446 1.00 0.00 ATOM 122 O VAL 16 -3.951 -5.976 -5.485 1.00 0.00 ATOM 123 C VAL 16 -3.192 -5.935 -6.448 1.00 0.00 ATOM 124 N ALA 17 -3.557 -6.304 -7.672 1.00 0.00 ATOM 125 CA ALA 17 -4.914 -6.768 -7.957 1.00 0.00 ATOM 126 CB ALA 17 -5.082 -7.024 -9.450 1.00 0.00 ATOM 127 O ALA 17 -6.381 -8.119 -6.624 1.00 0.00 ATOM 128 C ALA 17 -5.268 -8.018 -7.179 1.00 0.00 ATOM 129 N GLY 18 -4.395 -8.995 -7.117 1.00 0.00 ATOM 130 CA GLY 18 -4.677 -10.215 -6.391 1.00 0.00 ATOM 131 O GLY 18 -5.632 -10.519 -4.217 1.00 0.00 ATOM 132 C GLY 18 -4.752 -9.986 -4.889 1.00 0.00 ATOM 133 N PHE 19 -3.808 -9.190 -4.310 1.00 0.00 ATOM 134 CA PHE 19 -3.817 -8.914 -2.875 1.00 0.00 ATOM 135 CB PHE 19 -2.580 -8.097 -2.497 1.00 0.00 ATOM 136 CG PHE 19 -1.291 -8.854 -2.631 1.00 0.00 ATOM 137 CD1 PHE 19 -1.286 -10.236 -2.710 1.00 0.00 ATOM 138 CD2 PHE 19 -0.079 -8.184 -2.678 1.00 0.00 ATOM 139 CE1 PHE 19 -0.100 -10.932 -2.833 1.00 0.00 ATOM 140 CE2 PHE 19 1.109 -8.880 -2.800 1.00 0.00 ATOM 141 CZ PHE 19 1.101 -10.249 -2.879 1.00 0.00 ATOM 142 O PHE 19 -5.673 -8.353 -1.449 1.00 0.00 ATOM 143 C PHE 19 -5.072 -8.120 -2.499 1.00 0.00 ATOM 144 N PRO 20 -5.460 -7.177 -3.357 1.00 0.00 ATOM 145 CA PRO 20 -6.656 -6.362 -3.106 1.00 0.00 ATOM 146 CB PRO 20 -6.703 -5.401 -4.296 1.00 0.00 ATOM 147 CG PRO 20 -5.278 -5.233 -4.699 1.00 0.00 ATOM 148 CD PRO 20 -4.643 -6.589 -4.559 1.00 0.00 ATOM 149 O PRO 20 -8.746 -7.070 -2.136 1.00 0.00 ATOM 150 C PRO 20 -7.919 -7.224 -3.038 1.00 0.00 ATOM 151 N GLN 21 -8.054 -8.139 -3.992 1.00 0.00 ATOM 152 CA GLN 21 -9.214 -9.021 -4.046 1.00 0.00 ATOM 153 CB GLN 21 -9.168 -9.920 -5.231 1.00 0.00 ATOM 154 CG GLN 21 -10.414 -10.744 -5.417 1.00 0.00 ATOM 155 CD GLN 21 -10.406 -11.474 -6.755 1.00 0.00 ATOM 156 OE1 GLN 21 -9.675 -12.438 -6.921 1.00 0.00 ATOM 157 NE2 GLN 21 -11.148 -10.970 -7.735 1.00 0.00 ATOM 158 O GLN 21 -10.377 -10.043 -2.208 1.00 0.00 ATOM 159 C GLN 21 -9.319 -9.949 -2.833 1.00 0.00 ATOM 160 N ASP 22 -8.213 -10.597 -2.480 1.00 0.00 ATOM 161 CA ASP 22 -8.188 -11.525 -1.354 1.00 0.00 ATOM 162 CB ASP 22 -6.800 -12.152 -1.206 1.00 0.00 ATOM 163 CG ASP 22 -6.504 -13.174 -2.284 1.00 0.00 ATOM 164 OD1 ASP 22 -7.448 -13.572 -3.000 1.00 0.00 ATOM 165 OD2 ASP 22 -5.330 -13.576 -2.416 1.00 0.00 ATOM 166 O ASP 22 -9.427 -11.269 0.687 1.00 0.00 ATOM 167 C ASP 22 -8.526 -10.838 -0.034 1.00 0.00 ATOM 168 N ARG 23 -7.810 -9.765 0.280 1.00 0.00 ATOM 169 CA ARG 23 -8.049 -9.065 1.536 1.00 0.00 ATOM 170 CB ARG 23 -7.021 -7.947 1.728 1.00 0.00 ATOM 171 CG ARG 23 -5.605 -8.442 1.972 1.00 0.00 ATOM 172 CD ARG 23 -4.657 -7.289 2.255 1.00 0.00 ATOM 173 NE ARG 23 -3.273 -7.737 2.381 1.00 0.00 ATOM 174 CZ ARG 23 -2.411 -7.797 1.372 1.00 0.00 ATOM 175 NH1 ARG 23 -1.172 -8.217 1.582 1.00 0.00 ATOM 176 NH2 ARG 23 -2.792 -7.437 0.153 1.00 0.00 ATOM 177 O ARG 23 -10.068 -8.484 2.688 1.00 0.00 ATOM 178 C ARG 23 -9.442 -8.442 1.628 1.00 0.00 ATOM 179 N ASP 24 -9.928 -7.851 0.518 1.00 0.00 ATOM 180 CA ASP 24 -11.251 -7.230 0.512 1.00 0.00 ATOM 181 CB ASP 24 -11.510 -6.545 -0.832 1.00 0.00 ATOM 182 CG ASP 24 -12.841 -5.813 -0.870 1.00 0.00 ATOM 183 OD1 ASP 24 -13.893 -6.484 -0.956 1.00 0.00 ATOM 184 OD2 ASP 24 -12.833 -4.565 -0.811 1.00 0.00 ATOM 185 O ASP 24 -13.223 -7.995 1.645 1.00 0.00 ATOM 186 C ASP 24 -12.341 -8.248 0.819 1.00 0.00 ATOM 187 N GLU 25 -12.280 -9.400 0.161 1.00 0.00 ATOM 188 CA GLU 25 -13.271 -10.452 0.385 1.00 0.00 ATOM 189 CB GLU 25 -12.878 -11.675 -0.430 1.00 0.00 ATOM 190 CG GLU 25 -13.698 -12.929 -0.270 1.00 0.00 ATOM 191 CD GLU 25 -13.332 -14.003 -1.303 1.00 0.00 ATOM 192 OE1 GLU 25 -12.142 -14.055 -1.757 1.00 0.00 ATOM 193 OE2 GLU 25 -14.233 -14.807 -1.660 1.00 0.00 ATOM 194 O GLU 25 -14.448 -11.063 2.380 1.00 0.00 ATOM 195 C GLU 25 -13.354 -10.873 1.844 1.00 0.00 ATOM 196 N LEU 26 -12.203 -11.014 2.485 1.00 0.00 ATOM 197 CA LEU 26 -12.169 -11.417 3.882 1.00 0.00 ATOM 198 CB LEU 26 -10.767 -11.914 4.263 1.00 0.00 ATOM 199 CG LEU 26 -10.267 -13.117 3.455 1.00 0.00 ATOM 200 CD1 LEU 26 -8.929 -13.582 4.004 1.00 0.00 ATOM 201 CD2 LEU 26 -11.285 -14.252 3.522 1.00 0.00 ATOM 202 O LEU 26 -13.286 -10.543 5.815 1.00 0.00 ATOM 203 C LEU 26 -12.619 -10.294 4.811 1.00 0.00 ATOM 204 N PHE 27 -12.280 -9.055 4.485 1.00 0.00 ATOM 205 CA PHE 27 -12.692 -7.929 5.314 1.00 0.00 ATOM 206 CB PHE 27 -11.576 -6.984 5.593 1.00 0.00 ATOM 207 CG PHE 27 -10.452 -7.614 6.371 1.00 0.00 ATOM 208 CD1 PHE 27 -10.720 -8.380 7.502 1.00 0.00 ATOM 209 CD2 PHE 27 -9.130 -7.446 5.975 1.00 0.00 ATOM 210 CE1 PHE 27 -9.689 -8.969 8.228 1.00 0.00 ATOM 211 CE2 PHE 27 -8.089 -8.033 6.695 1.00 0.00 ATOM 212 CZ PHE 27 -8.370 -8.797 7.823 1.00 0.00 ATOM 213 O PHE 27 -14.800 -6.800 5.318 1.00 0.00 ATOM 214 C PHE 27 -13.805 -7.133 4.671 1.00 0.00 ATOM 215 N TYR 28 -13.556 -6.585 3.411 1.00 0.00 ATOM 216 CA TYR 28 -14.495 -5.742 2.726 1.00 0.00 ATOM 217 CB TYR 28 -13.780 -4.605 1.979 1.00 0.00 ATOM 218 CG TYR 28 -13.326 -3.475 2.879 1.00 0.00 ATOM 219 CD1 TYR 28 -12.159 -3.561 3.623 1.00 0.00 ATOM 220 CD2 TYR 28 -14.058 -2.306 2.959 1.00 0.00 ATOM 221 CE1 TYR 28 -11.772 -2.534 4.471 1.00 0.00 ATOM 222 CE2 TYR 28 -13.678 -1.253 3.781 1.00 0.00 ATOM 223 CZ TYR 28 -12.531 -1.390 4.534 1.00 0.00 ATOM 224 OH TYR 28 -12.152 -0.345 5.360 1.00 0.00 ATOM 225 O TYR 28 -14.856 -7.714 1.448 1.00 0.00 ATOM 226 C TYR 28 -15.252 -6.598 1.738 1.00 0.00 ATOM 227 N CYS 29 -16.361 -6.046 1.250 1.00 0.00 ATOM 228 CA CYS 29 -17.155 -6.753 0.257 1.00 0.00 ATOM 229 CB CYS 29 -18.530 -6.126 0.162 1.00 0.00 ATOM 230 SG CYS 29 -19.522 -6.317 1.648 1.00 0.00 ATOM 231 O CYS 29 -16.420 -7.878 -1.693 1.00 0.00 ATOM 232 C CYS 29 -16.440 -6.791 -1.098 1.00 0.00 ATOM 233 N TYR 30 -18.078 -7.315 -2.254 1.00 0.00 ATOM 234 CA TYR 30 -18.076 -8.016 -3.532 1.00 0.00 ATOM 235 CB TYR 30 -19.403 -8.747 -3.745 1.00 0.00 ATOM 236 CG TYR 30 -19.500 -9.469 -5.070 1.00 0.00 ATOM 237 CD1 TYR 30 -18.896 -10.706 -5.251 1.00 0.00 ATOM 238 CD2 TYR 30 -20.197 -8.912 -6.134 1.00 0.00 ATOM 239 CE1 TYR 30 -18.979 -11.372 -6.459 1.00 0.00 ATOM 240 CE2 TYR 30 -20.290 -9.565 -7.349 1.00 0.00 ATOM 241 CZ TYR 30 -19.674 -10.805 -7.504 1.00 0.00 ATOM 242 OH TYR 30 -19.758 -11.468 -8.707 1.00 0.00 ATOM 243 O TYR 30 -17.084 -7.275 -5.593 1.00 0.00 ATOM 244 C TYR 30 -17.879 -7.033 -4.682 1.00 0.00 ATOM 245 N PRO 31 -18.613 -5.926 -4.638 1.00 0.00 ATOM 246 CA PRO 31 -18.522 -4.908 -5.681 1.00 0.00 ATOM 247 CB PRO 31 -19.563 -3.885 -5.327 1.00 0.00 ATOM 248 CG PRO 31 -20.618 -4.672 -4.629 1.00 0.00 ATOM 249 CD PRO 31 -19.806 -5.640 -3.767 1.00 0.00 ATOM 250 O PRO 31 -16.565 -4.157 -6.858 1.00 0.00 ATOM 251 C PRO 31 -17.124 -4.294 -5.769 1.00 0.00 ATOM 252 N LYS 32 -16.550 -3.942 -4.625 1.00 0.00 ATOM 253 CA LYS 32 -15.221 -3.341 -4.611 1.00 0.00 ATOM 254 CB LYS 32 -14.865 -2.901 -3.199 1.00 0.00 ATOM 255 CG LYS 32 -15.588 -1.665 -2.764 1.00 0.00 ATOM 256 CD LYS 32 -15.277 -1.294 -1.313 1.00 0.00 ATOM 257 CE LYS 32 -15.956 0.035 -1.000 1.00 0.00 ATOM 258 NZ LYS 32 -15.662 0.466 0.383 1.00 0.00 ATOM 259 O LYS 32 -13.188 -3.919 -5.776 1.00 0.00 ATOM 260 C LYS 32 -14.119 -4.306 -5.060 1.00 0.00 ATOM 261 N ALA 33 -14.217 -5.559 -4.622 1.00 0.00 ATOM 262 CA ALA 33 -13.244 -6.569 -5.012 1.00 0.00 ATOM 263 CB ALA 33 -13.597 -7.903 -4.371 1.00 0.00 ATOM 264 O ALA 33 -12.170 -6.865 -7.147 1.00 0.00 ATOM 265 C ALA 33 -13.234 -6.751 -6.529 1.00 0.00 ATOM 266 N ILE 34 -14.417 -6.719 -7.136 1.00 0.00 ATOM 267 CA ILE 34 -14.524 -6.882 -8.580 1.00 0.00 ATOM 268 CB ILE 34 -15.983 -7.122 -9.013 1.00 0.00 ATOM 269 CG1 ILE 34 -16.518 -8.415 -8.395 1.00 0.00 ATOM 270 CG2 ILE 34 -16.076 -7.236 -10.528 1.00 0.00 ATOM 271 CD1 ILE 34 -15.716 -9.643 -8.762 1.00 0.00 ATOM 272 O ILE 34 -13.463 -5.773 -10.443 1.00 0.00 ATOM 273 C ILE 34 -14.033 -5.658 -9.358 1.00 0.00 ATOM 274 N TRP 35 -14.693 -4.391 -9.050 1.00 0.00 ATOM 275 CA TRP 35 -14.519 -3.207 -9.886 1.00 0.00 ATOM 276 CB TRP 35 -15.906 -2.424 -9.889 1.00 0.00 ATOM 277 CG TRP 35 -15.850 -1.241 -10.787 1.00 0.00 ATOM 278 CD1 TRP 35 -16.007 -1.191 -12.150 1.00 0.00 ATOM 279 CD2 TRP 35 -15.531 0.102 -10.387 1.00 0.00 ATOM 280 CE2 TRP 35 -15.518 0.909 -11.546 1.00 0.00 ATOM 281 CE3 TRP 35 -15.248 0.687 -9.151 1.00 0.00 ATOM 282 NE1 TRP 35 -15.845 0.096 -12.599 1.00 0.00 ATOM 283 CZ2 TRP 35 -15.255 2.268 -11.521 1.00 0.00 ATOM 284 CZ3 TRP 35 -14.978 2.028 -9.130 1.00 0.00 ATOM 285 CH2 TRP 35 -14.962 2.838 -10.276 1.00 0.00 ATOM 286 O TRP 35 -12.606 -1.804 -10.236 1.00 0.00 ATOM 287 C TRP 35 -13.443 -2.211 -9.431 1.00 0.00 ATOM 288 N PRO 36 -13.438 -1.825 -8.139 1.00 0.00 ATOM 289 CA PRO 36 -12.423 -0.883 -7.651 1.00 0.00 ATOM 290 CB PRO 36 -12.938 -0.351 -6.262 1.00 0.00 ATOM 291 CG PRO 36 -14.317 -0.937 -6.183 1.00 0.00 ATOM 292 CD PRO 36 -14.558 -1.947 -7.289 1.00 0.00 ATOM 293 O PRO 36 -10.057 -0.547 -7.820 1.00 0.00 ATOM 294 C PRO 36 -10.981 -1.356 -7.720 1.00 0.00 ATOM 295 N PHE 37 -10.779 -2.665 -7.691 1.00 0.00 ATOM 296 CA PHE 37 -9.422 -3.185 -7.676 1.00 0.00 ATOM 297 CB PHE 37 -9.228 -3.985 -6.347 1.00 0.00 ATOM 298 CG PHE 37 -9.471 -3.179 -5.095 1.00 0.00 ATOM 299 CD1 PHE 37 -10.606 -3.380 -4.319 1.00 0.00 ATOM 300 CD2 PHE 37 -8.590 -2.175 -4.729 1.00 0.00 ATOM 301 CE1 PHE 37 -10.836 -2.611 -3.173 1.00 0.00 ATOM 302 CE2 PHE 37 -8.819 -1.404 -3.592 1.00 0.00 ATOM 303 CZ PHE 37 -9.944 -1.626 -2.814 1.00 0.00 ATOM 304 O PHE 37 -8.040 -4.793 -8.797 1.00 0.00 ATOM 305 C PHE 37 -8.973 -3.988 -8.890 1.00 0.00 ATOM 306 N SER 38 -9.638 -3.804 -10.026 1.00 0.00 ATOM 307 CA SER 38 -9.224 -4.523 -11.210 1.00 0.00 ATOM 308 CB SER 38 -10.261 -4.367 -12.324 1.00 0.00 ATOM 309 OG SER 38 -10.315 -3.031 -12.789 1.00 0.00 ATOM 310 O SER 38 -7.348 -3.054 -10.989 1.00 0.00 ATOM 311 C SER 38 -7.824 -4.033 -11.557 1.00 0.00 ATOM 312 N VAL 39 -7.143 -4.670 -12.481 1.00 0.00 ATOM 313 CA VAL 39 -5.807 -4.247 -12.879 1.00 0.00 ATOM 314 CB VAL 39 -5.221 -5.276 -13.919 1.00 0.00 ATOM 315 CG1 VAL 39 -3.986 -4.763 -14.620 1.00 0.00 ATOM 316 CG2 VAL 39 -4.955 -6.597 -13.299 1.00 0.00 ATOM 317 O VAL 39 -4.964 -2.013 -13.114 1.00 0.00 ATOM 318 C VAL 39 -5.782 -2.852 -13.502 1.00 0.00 ATOM 319 N ALA 40 -6.658 -2.604 -14.422 1.00 0.00 ATOM 320 CA ALA 40 -6.722 -1.302 -15.088 1.00 0.00 ATOM 321 CB ALA 40 -7.817 -1.309 -16.144 1.00 0.00 ATOM 322 O ALA 40 -6.444 0.879 -14.120 1.00 0.00 ATOM 323 C ALA 40 -7.019 -0.216 -14.073 1.00 0.00 ATOM 324 N GLN 41 -7.976 -0.497 -13.166 1.00 0.00 ATOM 325 CA GLN 41 -8.315 0.484 -12.178 1.00 0.00 ATOM 326 CB GLN 41 -9.424 -0.113 -11.309 1.00 0.00 ATOM 327 CG GLN 41 -9.933 0.822 -10.226 1.00 0.00 ATOM 328 CD GLN 41 -10.618 2.052 -10.791 1.00 0.00 ATOM 329 OE1 GLN 41 -11.438 1.953 -11.704 1.00 0.00 ATOM 330 NE2 GLN 41 -10.283 3.215 -10.249 1.00 0.00 ATOM 331 O GLN 41 -6.842 1.949 -10.992 1.00 0.00 ATOM 332 C GLN 41 -7.129 0.787 -11.272 1.00 0.00 ATOM 333 N LEU 42 -6.417 -0.254 -10.822 1.00 0.00 ATOM 334 CA LEU 42 -5.265 -0.048 -9.951 1.00 0.00 ATOM 335 CB LEU 42 -4.749 -1.391 -9.426 1.00 0.00 ATOM 336 CG LEU 42 -5.658 -2.126 -8.439 1.00 0.00 ATOM 337 CD1 LEU 42 -5.107 -3.510 -8.132 1.00 0.00 ATOM 338 CD2 LEU 42 -5.765 -1.356 -7.132 1.00 0.00 ATOM 339 O LEU 42 -3.441 1.486 -10.067 1.00 0.00 ATOM 340 C LEU 42 -4.140 0.651 -10.644 1.00 0.00 ATOM 341 N ALA 43 -3.962 0.353 -11.917 1.00 0.00 ATOM 342 CA ALA 43 -2.907 0.984 -12.688 1.00 0.00 ATOM 343 CB ALA 43 -2.880 0.424 -14.101 1.00 0.00 ATOM 344 O ALA 43 -2.225 3.294 -12.572 1.00 0.00 ATOM 345 C ALA 43 -3.154 2.496 -12.728 1.00 0.00 ATOM 346 N ALA 44 -4.413 2.885 -12.920 1.00 0.00 ATOM 347 CA ALA 44 -4.783 4.298 -12.962 1.00 0.00 ATOM 348 CB ALA 44 -6.262 4.451 -13.278 1.00 0.00 ATOM 349 O ALA 44 -3.917 6.055 -11.570 1.00 0.00 ATOM 350 C ALA 44 -4.514 4.976 -11.623 1.00 0.00 ATOM 351 N ALA 45 -4.946 4.332 -10.541 1.00 0.00 ATOM 352 CA ALA 45 -4.783 4.890 -9.201 1.00 0.00 ATOM 353 CB ALA 45 -5.420 3.977 -8.166 1.00 0.00 ATOM 354 O ALA 45 -2.889 5.998 -8.224 1.00 0.00 ATOM 355 C ALA 45 -3.298 5.032 -8.864 1.00 0.00 ATOM 356 N ILE 46 -2.521 4.047 -9.217 1.00 0.00 ATOM 357 CA ILE 46 -1.104 4.056 -8.898 1.00 0.00 ATOM 358 CB ILE 46 -0.432 2.742 -9.361 1.00 0.00 ATOM 359 CG1 ILE 46 -0.912 1.613 -8.420 1.00 0.00 ATOM 360 CG2 ILE 46 1.095 2.835 -9.342 1.00 0.00 ATOM 361 CD1 ILE 46 -0.772 0.221 -9.063 1.00 0.00 ATOM 362 O ILE 46 0.432 5.900 -8.931 1.00 0.00 ATOM 363 C ILE 46 -0.408 5.240 -9.548 1.00 0.00 ATOM 364 N ALA 47 -0.767 5.502 -10.791 1.00 0.00 ATOM 365 CA ALA 47 -0.133 6.639 -11.473 1.00 0.00 ATOM 366 CB ALA 47 -0.598 6.696 -12.940 1.00 0.00 ATOM 367 O ALA 47 0.426 8.775 -10.531 1.00 0.00 ATOM 368 C ALA 47 -0.451 7.927 -10.734 1.00 0.00 ATOM 369 N GLU 48 -1.705 8.074 -10.316 1.00 0.00 ATOM 370 CA GLU 48 -2.037 9.311 -9.594 1.00 0.00 ATOM 371 CB GLU 48 -3.560 9.374 -9.356 1.00 0.00 ATOM 372 CG GLU 48 -4.409 9.575 -10.621 1.00 0.00 ATOM 373 CD GLU 48 -4.389 10.966 -11.200 1.00 0.00 ATOM 374 OE1 GLU 48 -3.610 11.803 -10.728 1.00 0.00 ATOM 375 OE2 GLU 48 -5.196 11.184 -12.145 1.00 0.00 ATOM 376 O GLU 48 -0.828 10.481 -7.842 1.00 0.00 ATOM 377 C GLU 48 -1.278 9.387 -8.271 1.00 0.00 ATOM 378 N ARG 49 -2.815 11.165 -8.150 1.00 0.00 ATOM 379 CA ARG 49 -3.192 11.537 -6.791 1.00 0.00 ATOM 380 CB ARG 49 -4.013 12.875 -6.912 1.00 0.00 ATOM 381 CG ARG 49 -4.029 13.753 -5.678 1.00 0.00 ATOM 382 CD ARG 49 -4.734 15.063 -5.982 1.00 0.00 ATOM 383 NE ARG 49 -6.113 14.842 -6.406 1.00 0.00 ATOM 384 CZ ARG 49 -6.845 15.734 -7.063 1.00 0.00 ATOM 385 NH1 ARG 49 -6.330 16.913 -7.379 1.00 0.00 ATOM 386 NH2 ARG 49 -8.096 15.445 -7.406 1.00 0.00 ATOM 387 O ARG 49 -3.969 10.554 -4.744 1.00 0.00 ATOM 388 C ARG 49 -3.451 10.370 -5.848 1.00 0.00 ATOM 389 N ARG 50 -3.078 9.174 -6.293 1.00 0.00 ATOM 390 CA ARG 50 -3.235 7.955 -5.510 1.00 0.00 ATOM 391 CB ARG 50 -4.381 7.110 -6.056 1.00 0.00 ATOM 392 CG ARG 50 -5.708 7.830 -5.969 1.00 0.00 ATOM 393 CD ARG 50 -6.893 6.967 -6.341 1.00 0.00 ATOM 394 NE ARG 50 -8.108 7.769 -6.348 1.00 0.00 ATOM 395 CZ ARG 50 -9.288 7.329 -6.766 1.00 0.00 ATOM 396 NH1 ARG 50 -9.414 6.089 -7.226 1.00 0.00 ATOM 397 NH2 ARG 50 -10.338 8.140 -6.731 1.00 0.00 ATOM 398 O ARG 50 -1.140 7.203 -6.397 1.00 0.00 ATOM 399 C ARG 50 -1.907 7.217 -5.432 1.00 0.00 ATOM 400 N GLY 51 -1.633 6.611 -4.283 1.00 0.00 ATOM 401 CA GLY 51 -0.394 5.874 -4.118 1.00 0.00 ATOM 402 O GLY 51 -1.338 4.650 -2.269 1.00 0.00 ATOM 403 C GLY 51 -0.649 4.616 -3.294 1.00 0.00 ATOM 404 N SER 52 -0.113 3.498 -3.775 1.00 0.00 ATOM 405 CA SER 52 -0.253 2.206 -3.109 1.00 0.00 ATOM 406 CB SER 52 -0.788 1.163 -4.091 1.00 0.00 ATOM 407 OG SER 52 -0.814 -0.126 -3.503 1.00 0.00 ATOM 408 O SER 52 2.117 1.995 -3.250 1.00 0.00 ATOM 409 C SER 52 1.108 1.768 -2.591 1.00 0.00 ATOM 410 N THR 53 1.125 1.124 -1.427 1.00 0.00 ATOM 411 CA THR 53 2.358 0.609 -0.840 1.00 0.00 ATOM 412 CB THR 53 2.839 1.485 0.331 1.00 0.00 ATOM 413 CG2 THR 53 4.131 0.932 0.915 1.00 0.00 ATOM 414 OG1 THR 53 3.075 2.820 -0.134 1.00 0.00 ATOM 415 O THR 53 1.019 -1.145 0.098 1.00 0.00 ATOM 416 C THR 53 2.101 -0.819 -0.375 1.00 0.00 ATOM 417 N VAL 54 3.103 -1.675 -0.506 1.00 0.00 ATOM 418 CA VAL 54 3.005 -3.057 -0.055 1.00 0.00 ATOM 419 CB VAL 54 3.509 -4.093 -1.077 1.00 0.00 ATOM 420 CG1 VAL 54 3.494 -5.489 -0.471 1.00 0.00 ATOM 421 CG2 VAL 54 2.622 -4.096 -2.313 1.00 0.00 ATOM 422 O VAL 54 5.067 -2.619 1.145 1.00 0.00 ATOM 423 C VAL 54 3.970 -3.194 1.148 1.00 0.00 ATOM 424 N ALA 55 3.506 -3.841 2.161 1.00 0.00 ATOM 425 CA ALA 55 4.341 -4.105 3.337 1.00 0.00 ATOM 426 CB ALA 55 3.567 -3.776 4.597 1.00 0.00 ATOM 427 O ALA 55 3.885 -6.448 3.065 1.00 0.00 ATOM 428 C ALA 55 4.717 -5.585 3.350 1.00 0.00 ATOM 429 N VAL 56 5.983 -5.861 3.637 1.00 0.00 ATOM 430 CA VAL 56 6.494 -7.229 3.658 1.00 0.00 ATOM 431 CB VAL 56 7.586 -7.436 2.591 1.00 0.00 ATOM 432 CG1 VAL 56 7.015 -7.225 1.197 1.00 0.00 ATOM 433 CG2 VAL 56 8.725 -6.449 2.798 1.00 0.00 ATOM 434 O VAL 56 7.709 -6.769 5.673 1.00 0.00 ATOM 435 C VAL 56 7.144 -7.609 4.976 1.00 0.00 ATOM 436 N HIS 57 7.056 -8.891 5.309 1.00 0.00 ATOM 437 CA HIS 57 7.672 -9.426 6.510 1.00 0.00 ATOM 438 CB HIS 57 6.587 -9.773 7.530 1.00 0.00 ATOM 439 CG HIS 57 7.122 -10.273 8.835 1.00 0.00 ATOM 440 CD2 HIS 57 7.260 -11.576 9.470 1.00 0.00 ATOM 441 ND1 HIS 57 7.653 -9.437 9.792 1.00 0.00 ATOM 442 CE1 HIS 57 8.049 -10.172 10.847 1.00 0.00 ATOM 443 NE2 HIS 57 7.815 -11.457 10.659 1.00 0.00 ATOM 444 O HIS 57 7.843 -11.600 5.510 1.00 0.00 ATOM 445 C HIS 57 8.435 -10.663 6.046 1.00 0.00 ATOM 446 N ASP 58 9.756 -10.631 6.186 1.00 0.00 ATOM 447 CA ASP 58 10.591 -11.747 5.764 1.00 0.00 ATOM 448 CB ASP 58 10.208 -13.007 6.544 1.00 0.00 ATOM 449 CG ASP 58 10.477 -12.877 8.028 1.00 0.00 ATOM 450 OD1 ASP 58 11.605 -12.489 8.397 1.00 0.00 ATOM 451 OD2 ASP 58 9.559 -13.164 8.826 1.00 0.00 ATOM 452 O ASP 58 10.482 -13.177 3.829 1.00 0.00 ATOM 453 C ASP 58 10.448 -12.023 4.265 1.00 0.00 ATOM 454 N GLY 59 10.284 -10.968 3.464 1.00 0.00 ATOM 455 CA GLY 59 10.152 -11.093 2.022 1.00 0.00 ATOM 456 O GLY 59 8.534 -11.713 0.364 1.00 0.00 ATOM 457 C GLY 59 8.770 -11.549 1.561 1.00 0.00 ATOM 458 N GLN 60 7.896 -11.760 2.476 1.00 0.00 ATOM 459 CA GLN 60 6.539 -12.195 2.158 1.00 0.00 ATOM 460 CB GLN 60 6.112 -13.221 3.210 1.00 0.00 ATOM 461 CG GLN 60 7.014 -14.460 3.105 1.00 0.00 ATOM 462 CD GLN 60 6.944 -15.030 1.697 1.00 0.00 ATOM 463 OE1 GLN 60 5.859 -15.378 1.217 1.00 0.00 ATOM 464 NE2 GLN 60 8.086 -15.116 1.024 1.00 0.00 ATOM 465 O GLN 60 5.526 -10.330 3.263 1.00 0.00 ATOM 466 C GLN 60 5.522 -11.063 2.279 1.00 0.00 ATOM 467 N VAL 61 4.660 -10.924 1.272 1.00 0.00 ATOM 468 CA VAL 61 3.641 -9.877 1.276 1.00 0.00 ATOM 469 CB VAL 61 2.822 -9.881 -0.028 1.00 0.00 ATOM 470 CG1 VAL 61 1.707 -8.850 0.038 1.00 0.00 ATOM 471 CG2 VAL 61 3.713 -9.549 -1.217 1.00 0.00 ATOM 472 O VAL 61 2.062 -11.181 2.588 1.00 0.00 ATOM 473 C VAL 61 2.704 -10.105 2.456 1.00 0.00 ATOM 474 N LEU 62 2.642 -9.108 3.335 1.00 0.00 ATOM 475 CA LEU 62 1.758 -9.171 4.505 1.00 0.00 ATOM 476 CB LEU 62 2.536 -8.789 5.766 1.00 0.00 ATOM 477 CG LEU 62 3.761 -9.647 6.093 1.00 0.00 ATOM 478 CD1 LEU 62 4.484 -9.107 7.319 1.00 0.00 ATOM 479 CD2 LEU 62 3.350 -11.084 6.378 1.00 0.00 ATOM 480 O LEU 62 -0.399 -8.464 5.257 1.00 0.00 ATOM 481 C LEU 62 0.530 -8.262 4.482 1.00 0.00 ATOM 482 N GLY 63 0.729 -7.110 3.646 1.00 0.00 ATOM 483 CA GLY 63 -0.433 -6.254 3.487 1.00 0.00 ATOM 484 O GLY 63 0.933 -4.946 2.040 1.00 0.00 ATOM 485 C GLY 63 -0.143 -5.053 2.618 1.00 0.00 ATOM 486 N PHE 64 -1.103 -4.146 2.499 1.00 0.00 ATOM 487 CA PHE 64 -0.881 -2.963 1.680 1.00 0.00 ATOM 488 CB PHE 64 -1.224 -3.169 0.200 1.00 0.00 ATOM 489 CG PHE 64 -2.685 -3.206 -0.168 1.00 0.00 ATOM 490 CD1 PHE 64 -3.515 -4.255 0.246 1.00 0.00 ATOM 491 CD2 PHE 64 -3.270 -2.182 -0.914 1.00 0.00 ATOM 492 CE1 PHE 64 -4.856 -4.267 -0.098 1.00 0.00 ATOM 493 CE2 PHE 64 -4.595 -2.201 -1.284 1.00 0.00 ATOM 494 CZ PHE 64 -5.372 -3.250 -0.854 1.00 0.00 ATOM 495 O PHE 64 -2.679 -1.967 2.920 1.00 0.00 ATOM 496 C PHE 64 -1.762 -1.808 2.112 1.00 0.00 ATOM 497 N ALA 65 -1.451 -0.637 1.572 1.00 0.00 ATOM 498 CA ALA 65 -2.214 0.567 1.845 1.00 0.00 ATOM 499 CB ALA 65 -1.545 1.390 2.939 1.00 0.00 ATOM 500 O ALA 65 -1.378 1.562 -0.145 1.00 0.00 ATOM 501 C ALA 65 -2.357 1.403 0.579 1.00 0.00 ATOM 502 N ASN 66 -3.550 1.933 0.368 1.00 0.00 ATOM 503 CA ASN 66 -3.790 2.838 -0.758 1.00 0.00 ATOM 504 CB ASN 66 -4.989 2.348 -1.545 1.00 0.00 ATOM 505 CG ASN 66 -5.241 3.216 -2.759 1.00 0.00 ATOM 506 ND2 ASN 66 -5.773 2.605 -3.815 1.00 0.00 ATOM 507 OD1 ASN 66 -4.981 4.414 -2.749 1.00 0.00 ATOM 508 O ASN 66 -5.220 4.254 0.527 1.00 0.00 ATOM 509 C ASN 66 -4.219 4.174 -0.189 1.00 0.00 ATOM 510 N PHE 67 -3.476 5.226 -0.518 1.00 0.00 ATOM 511 CA PHE 67 -3.803 6.566 -0.044 1.00 0.00 ATOM 512 CB PHE 67 -2.613 7.169 0.706 1.00 0.00 ATOM 513 CG PHE 67 -1.400 7.380 -0.151 1.00 0.00 ATOM 514 CD1 PHE 67 -1.213 8.574 -0.828 1.00 0.00 ATOM 515 CD2 PHE 67 -0.445 6.388 -0.282 1.00 0.00 ATOM 516 CE1 PHE 67 -0.095 8.769 -1.618 1.00 0.00 ATOM 517 CE2 PHE 67 0.672 6.583 -1.073 1.00 0.00 ATOM 518 CZ PHE 67 0.849 7.767 -1.739 1.00 0.00 ATOM 519 O PHE 67 -3.675 7.271 -2.337 1.00 0.00 ATOM 520 C PHE 67 -4.167 7.470 -1.223 1.00 0.00 ATOM 521 N TYR 68 -5.008 8.475 -0.957 1.00 0.00 ATOM 522 CA TYR 68 -5.434 9.433 -1.964 1.00 0.00 ATOM 523 CB TYR 68 -6.908 9.230 -2.340 1.00 0.00 ATOM 524 CG TYR 68 -7.426 10.263 -3.318 1.00 0.00 ATOM 525 CD1 TYR 68 -6.895 10.363 -4.607 1.00 0.00 ATOM 526 CD2 TYR 68 -8.445 11.142 -2.959 1.00 0.00 ATOM 527 CE1 TYR 68 -7.368 11.310 -5.513 1.00 0.00 ATOM 528 CE2 TYR 68 -8.927 12.099 -3.860 1.00 0.00 ATOM 529 CZ TYR 68 -8.386 12.174 -5.131 1.00 0.00 ATOM 530 OH TYR 68 -8.867 13.110 -6.016 1.00 0.00 ATOM 531 O TYR 68 -5.630 11.171 -0.333 1.00 0.00 ATOM 532 C TYR 68 -5.080 10.784 -1.359 1.00 0.00 ATOM 533 N GLN 69 -4.138 11.478 -1.982 1.00 0.00 ATOM 534 CA GLN 69 -3.680 12.762 -1.481 1.00 0.00 ATOM 535 CB GLN 69 -2.145 12.786 -1.458 1.00 0.00 ATOM 536 CG GLN 69 -1.514 13.692 -0.415 1.00 0.00 ATOM 537 CD GLN 69 -1.660 15.185 -0.675 1.00 0.00 ATOM 538 OE1 GLN 69 -1.823 15.960 0.268 1.00 0.00 ATOM 539 NE2 GLN 69 -1.569 15.603 -1.943 1.00 0.00 ATOM 540 O GLN 69 -3.967 14.077 -3.463 1.00 0.00 ATOM 541 C GLN 69 -4.211 13.946 -2.264 1.00 0.00 ATOM 542 N TRP 70 -5.136 14.830 -1.716 1.00 0.00 ATOM 543 CA TRP 70 -5.701 15.995 -2.374 1.00 0.00 ATOM 544 CB TRP 70 -7.079 16.198 -1.788 1.00 0.00 ATOM 545 CG TRP 70 -7.914 17.354 -2.325 1.00 0.00 ATOM 546 CD1 TRP 70 -7.469 18.342 -3.176 1.00 0.00 ATOM 547 CD2 TRP 70 -9.280 17.564 -2.062 1.00 0.00 ATOM 548 CE2 TRP 70 -9.650 18.755 -2.752 1.00 0.00 ATOM 549 CE3 TRP 70 -10.257 16.888 -1.322 1.00 0.00 ATOM 550 NE1 TRP 70 -8.544 19.216 -3.369 1.00 0.00 ATOM 551 CZ2 TRP 70 -10.918 19.297 -2.629 1.00 0.00 ATOM 552 CZ3 TRP 70 -11.545 17.371 -1.286 1.00 0.00 ATOM 553 CH2 TRP 70 -11.861 18.590 -1.932 1.00 0.00 ATOM 554 O TRP 70 -4.806 17.761 -1.022 1.00 0.00 ATOM 555 C TRP 70 -4.739 17.133 -2.080 1.00 0.00 ATOM 556 N GLN 71 -3.826 17.375 -3.012 1.00 0.00 ATOM 557 CA GLN 71 -2.818 18.414 -2.848 1.00 0.00 ATOM 558 CB GLN 71 -1.830 18.390 -4.025 1.00 0.00 ATOM 559 CG GLN 71 -1.132 17.056 -4.249 1.00 0.00 ATOM 560 CD GLN 71 -0.332 17.065 -5.541 1.00 0.00 ATOM 561 OE1 GLN 71 -0.032 16.012 -6.113 1.00 0.00 ATOM 562 NE2 GLN 71 0.008 18.265 -5.996 1.00 0.00 ATOM 563 O GLN 71 -2.789 20.719 -2.208 1.00 0.00 ATOM 564 C GLN 71 -3.391 19.827 -2.799 1.00 0.00 ATOM 565 N HIS 72 -4.563 20.017 -3.400 1.00 0.00 ATOM 566 CA HIS 72 -5.217 21.323 -3.433 1.00 0.00 ATOM 567 CB HIS 72 -6.204 21.346 -4.627 1.00 0.00 ATOM 568 CG HIS 72 -5.530 21.349 -5.963 1.00 0.00 ATOM 569 CD2 HIS 72 -5.027 20.340 -6.709 1.00 0.00 ATOM 570 ND1 HIS 72 -5.279 22.508 -6.664 1.00 0.00 ATOM 571 CE1 HIS 72 -4.662 22.210 -7.794 1.00 0.00 ATOM 572 NE2 HIS 72 -4.496 20.900 -7.845 1.00 0.00 ATOM 573 O HIS 72 -5.904 22.961 -1.826 1.00 0.00 ATOM 574 C HIS 72 -5.730 21.768 -2.067 1.00 0.00 ATOM 575 N GLY 73 -5.947 20.813 -1.165 1.00 0.00 ATOM 576 CA GLY 73 -6.443 21.133 0.174 1.00 0.00 ATOM 577 O GLY 73 -5.812 20.745 2.461 1.00 0.00 ATOM 578 C GLY 73 -5.578 20.514 1.275 1.00 0.00 ATOM 579 N ASP 74 -4.504 19.798 0.722 1.00 0.00 ATOM 580 CA ASP 74 -3.614 19.172 1.696 1.00 0.00 ATOM 581 CB ASP 74 -2.750 20.248 2.435 1.00 0.00 ATOM 582 CG ASP 74 -2.063 21.252 1.565 1.00 0.00 ATOM 583 OD1 ASP 74 -1.692 20.983 0.414 1.00 0.00 ATOM 584 OD2 ASP 74 -1.853 22.419 1.939 1.00 0.00 ATOM 585 O ASP 74 -4.231 18.336 3.870 1.00 0.00 ATOM 586 C ASP 74 -4.370 18.253 2.650 1.00 0.00 ATOM 587 N PHE 75 -5.205 17.401 2.066 1.00 0.00 ATOM 588 CA PHE 75 -5.988 16.417 2.806 1.00 0.00 ATOM 589 CB PHE 75 -7.482 16.694 2.153 1.00 0.00 ATOM 590 CG PHE 75 -8.179 17.831 2.835 1.00 0.00 ATOM 591 CD1 PHE 75 -8.866 17.624 4.030 1.00 0.00 ATOM 592 CD2 PHE 75 -8.119 19.115 2.307 1.00 0.00 ATOM 593 CE1 PHE 75 -9.480 18.690 4.689 1.00 0.00 ATOM 594 CE2 PHE 75 -8.728 20.185 2.961 1.00 0.00 ATOM 595 CZ PHE 75 -9.410 19.970 4.153 1.00 0.00 ATOM 596 O PHE 75 -5.901 14.823 1.036 1.00 0.00 ATOM 597 C PHE 75 -5.766 14.989 2.260 1.00 0.00 ATOM 598 N CYS 76 -5.603 14.057 3.341 1.00 0.00 ATOM 599 CA CYS 76 -5.369 12.717 2.797 1.00 0.00 ATOM 600 CB CYS 76 -3.917 12.266 3.100 1.00 0.00 ATOM 601 SG CYS 76 -2.648 13.517 2.860 1.00 0.00 ATOM 602 O CYS 76 -6.751 11.578 4.371 1.00 0.00 ATOM 603 C CYS 76 -6.318 11.613 3.226 1.00 0.00 ATOM 604 N ALA 77 -6.659 10.725 2.303 1.00 0.00 ATOM 605 CA ALA 77 -7.555 9.625 2.615 1.00 0.00 ATOM 606 CB ALA 77 -8.682 9.555 1.596 1.00 0.00 ATOM 607 O ALA 77 -6.069 7.987 1.683 1.00 0.00 ATOM 608 C ALA 77 -6.864 8.263 2.581 1.00 0.00 ATOM 609 N LEU 78 -7.151 7.431 3.580 1.00 0.00 ATOM 610 CA LEU 78 -6.643 6.068 3.594 1.00 0.00 ATOM 611 CB LEU 78 -6.015 5.791 4.978 1.00 0.00 ATOM 612 CG LEU 78 -5.031 6.807 5.555 1.00 0.00 ATOM 613 CD1 LEU 78 -4.599 6.321 6.951 1.00 0.00 ATOM 614 CD2 LEU 78 -3.841 6.997 4.597 1.00 0.00 ATOM 615 O LEU 78 -8.834 5.108 3.693 1.00 0.00 ATOM 616 C LEU 78 -7.853 5.358 2.995 1.00 0.00 ATOM 617 N GLY 79 -7.801 5.076 1.697 1.00 0.00 ATOM 618 CA GLY 79 -8.922 4.439 1.019 1.00 0.00 ATOM 619 O GLY 79 -10.059 2.372 1.460 1.00 0.00 ATOM 620 C GLY 79 -8.977 2.941 1.267 1.00 0.00 ATOM 621 N ASN 80 -7.805 2.311 1.260 1.00 0.00 ATOM 622 CA ASN 80 -7.686 0.875 1.473 1.00 0.00 ATOM 623 CB ASN 80 -7.466 0.151 0.144 1.00 0.00 ATOM 624 CG ASN 80 -8.626 0.334 -0.817 1.00 0.00 ATOM 625 ND2 ASN 80 -8.446 1.210 -1.799 1.00 0.00 ATOM 626 OD1 ASN 80 -9.669 -0.304 -0.674 1.00 0.00 ATOM 627 O ASN 80 -5.441 1.140 2.250 1.00 0.00 ATOM 628 C ASN 80 -6.506 0.547 2.373 1.00 0.00 ATOM 629 N MET 81 -6.718 -0.381 3.301 1.00 0.00 ATOM 630 CA MET 81 -5.658 -0.827 4.191 1.00 0.00 ATOM 631 CB MET 81 -5.652 0.050 5.436 1.00 0.00 ATOM 632 CG MET 81 -4.522 -0.216 6.391 1.00 0.00 ATOM 633 SD MET 81 -2.938 0.370 5.775 1.00 0.00 ATOM 634 CE MET 81 -3.026 2.139 6.054 1.00 0.00 ATOM 635 O MET 81 -7.065 -2.540 5.152 1.00 0.00 ATOM 636 C MET 81 -6.012 -2.259 4.568 1.00 0.00 ATOM 637 N MET 82 -5.133 -3.174 4.176 1.00 0.00 ATOM 638 CA MET 82 -5.370 -4.592 4.389 1.00 0.00 ATOM 639 CB MET 82 -6.253 -5.153 3.221 1.00 0.00 ATOM 640 CG MET 82 -7.632 -4.545 3.149 1.00 0.00 ATOM 641 SD MET 82 -8.699 -5.332 1.921 1.00 0.00 ATOM 642 CE MET 82 -7.913 -4.777 0.402 1.00 0.00 ATOM 643 O MET 82 -3.110 -5.271 4.129 1.00 0.00 ATOM 644 C MET 82 -4.148 -5.395 4.764 1.00 0.00 ATOM 645 N VAL 83 -4.300 -6.258 5.761 1.00 0.00 ATOM 646 CA VAL 83 -3.228 -7.144 6.172 1.00 0.00 ATOM 647 CB VAL 83 -2.811 -6.877 7.630 1.00 0.00 ATOM 648 CG1 VAL 83 -1.714 -7.841 8.056 1.00 0.00 ATOM 649 CG2 VAL 83 -2.288 -5.457 7.782 1.00 0.00 ATOM 650 O VAL 83 -4.906 -8.832 6.495 1.00 0.00 ATOM 651 C VAL 83 -3.794 -8.554 6.035 1.00 0.00 ATOM 652 N ALA 84 -3.032 -9.440 5.399 1.00 0.00 ATOM 653 CA ALA 84 -3.463 -10.823 5.226 1.00 0.00 ATOM 654 CB ALA 84 -2.376 -11.638 4.540 1.00 0.00 ATOM 655 O ALA 84 -3.226 -11.009 7.580 1.00 0.00 ATOM 656 C ALA 84 -3.858 -11.326 6.593 1.00 0.00 ATOM 657 N PRO 85 -4.842 -12.197 6.682 1.00 0.00 ATOM 658 CA PRO 85 -5.240 -12.758 7.961 1.00 0.00 ATOM 659 CB PRO 85 -6.245 -13.845 7.564 1.00 0.00 ATOM 660 CG PRO 85 -6.826 -13.336 6.366 1.00 0.00 ATOM 661 CD PRO 85 -5.727 -12.636 5.594 1.00 0.00 ATOM 662 O PRO 85 -3.873 -12.880 9.941 1.00 0.00 ATOM 663 C PRO 85 -4.080 -13.286 8.788 1.00 0.00 ATOM 664 N ALA 86 -3.284 -14.212 8.202 1.00 0.00 ATOM 665 CA ALA 86 -2.136 -14.769 8.922 1.00 0.00 ATOM 666 CB ALA 86 -1.410 -15.777 8.042 1.00 0.00 ATOM 667 O ALA 86 -0.477 -13.850 10.397 1.00 0.00 ATOM 668 C ALA 86 -1.135 -13.702 9.365 1.00 0.00 ATOM 669 N ALA 87 -1.117 -12.736 8.344 1.00 0.00 ATOM 670 CA ALA 87 -0.154 -11.667 8.586 1.00 0.00 ATOM 671 CB ALA 87 0.336 -10.899 7.368 1.00 0.00 ATOM 672 O ALA 87 0.090 -9.705 9.903 1.00 0.00 ATOM 673 C ALA 87 -0.645 -10.629 9.572 1.00 0.00 ATOM 674 N ARG 88 -1.873 -10.787 9.998 1.00 0.00 ATOM 675 CA ARG 88 -2.418 -9.821 10.957 1.00 0.00 ATOM 676 CB ARG 88 -3.555 -10.446 11.552 1.00 0.00 ATOM 677 CG ARG 88 -4.711 -9.819 10.821 1.00 0.00 ATOM 678 CD ARG 88 -4.820 -8.328 11.059 1.00 0.00 ATOM 679 NE ARG 88 -5.971 -7.816 10.324 1.00 0.00 ATOM 680 CZ ARG 88 -6.010 -6.650 9.696 1.00 0.00 ATOM 681 NH1 ARG 88 -4.960 -5.836 9.710 1.00 0.00 ATOM 682 NH2 ARG 88 -7.086 -6.327 8.998 1.00 0.00 ATOM 683 O ARG 88 -1.236 -11.103 12.614 1.00 0.00 ATOM 684 C ARG 88 -1.824 -10.052 12.349 1.00 0.00 ATOM 685 N GLY 89 -1.974 -9.060 13.223 1.00 0.00 ATOM 686 CA GLY 89 -1.481 -9.119 14.606 1.00 0.00 ATOM 687 O GLY 89 0.554 -9.776 15.693 1.00 0.00 ATOM 688 C GLY 89 0.039 -9.202 14.732 1.00 0.00 ATOM 689 N LEU 90 0.753 -8.592 13.789 1.00 0.00 ATOM 690 CA LEU 90 2.212 -8.592 13.807 1.00 0.00 ATOM 691 CB LEU 90 2.762 -9.481 12.690 1.00 0.00 ATOM 692 CG LEU 90 2.476 -10.980 12.813 1.00 0.00 ATOM 693 CD1 LEU 90 2.889 -11.711 11.544 1.00 0.00 ATOM 694 CD2 LEU 90 3.247 -11.579 13.980 1.00 0.00 ATOM 695 O LEU 90 4.006 -7.051 13.421 1.00 0.00 ATOM 696 C LEU 90 2.803 -7.199 13.644 1.00 0.00 ATOM 697 N GLY 91 1.955 -6.182 13.746 1.00 0.00 ATOM 698 CA GLY 91 2.429 -4.818 13.618 1.00 0.00 ATOM 699 O GLY 91 2.931 -3.162 11.984 1.00 0.00 ATOM 700 C GLY 91 2.470 -4.283 12.198 1.00 0.00 ATOM 701 N VAL 92 1.998 -5.041 11.223 1.00 0.00 ATOM 702 CA VAL 92 2.015 -4.596 9.827 1.00 0.00 ATOM 703 CB VAL 92 1.680 -5.752 8.897 1.00 0.00 ATOM 704 CG1 VAL 92 1.393 -5.276 7.476 1.00 0.00 ATOM 705 CG2 VAL 92 2.805 -6.760 8.885 1.00 0.00 ATOM 706 O VAL 92 1.426 -2.443 8.936 1.00 0.00 ATOM 707 C VAL 92 1.073 -3.413 9.622 1.00 0.00 ATOM 708 N ALA 93 -0.125 -3.485 10.163 1.00 0.00 ATOM 709 CA ALA 93 -1.078 -2.372 10.022 1.00 0.00 ATOM 710 CB ALA 93 -2.398 -2.733 10.647 1.00 0.00 ATOM 711 O ALA 93 -0.694 0.004 10.129 1.00 0.00 ATOM 712 C ALA 93 -0.505 -1.111 10.659 1.00 0.00 ATOM 713 N ARG 94 0.150 -1.233 11.801 1.00 0.00 ATOM 714 CA ARG 94 0.727 -0.070 12.468 1.00 0.00 ATOM 715 CB ARG 94 1.350 -0.479 13.794 1.00 0.00 ATOM 716 CG ARG 94 2.104 0.631 14.477 1.00 0.00 ATOM 717 CD ARG 94 2.806 0.111 15.738 1.00 0.00 ATOM 718 NE ARG 94 3.537 1.091 16.511 1.00 0.00 ATOM 719 CZ ARG 94 4.825 1.355 16.285 1.00 0.00 ATOM 720 NH1 ARG 94 5.500 0.719 15.323 1.00 0.00 ATOM 721 NH2 ARG 94 5.461 2.261 17.009 1.00 0.00 ATOM 722 O ARG 94 1.839 1.789 11.429 1.00 0.00 ATOM 723 C ARG 94 1.789 0.567 11.564 1.00 0.00 ATOM 724 N TYR 95 2.683 -0.235 11.011 1.00 0.00 ATOM 725 CA TYR 95 3.779 0.276 10.204 1.00 0.00 ATOM 726 CB TYR 95 4.307 -1.042 9.323 1.00 0.00 ATOM 727 CG TYR 95 5.719 -0.991 8.795 1.00 0.00 ATOM 728 CD1 TYR 95 6.729 -1.476 9.622 1.00 0.00 ATOM 729 CD2 TYR 95 6.045 -0.479 7.545 1.00 0.00 ATOM 730 CE1 TYR 95 8.041 -1.468 9.227 1.00 0.00 ATOM 731 CE2 TYR 95 7.372 -0.462 7.133 1.00 0.00 ATOM 732 CZ TYR 95 8.352 -0.962 7.976 1.00 0.00 ATOM 733 OH TYR 95 9.670 -0.931 7.574 1.00 0.00 ATOM 734 O TYR 95 3.667 2.020 8.546 1.00 0.00 ATOM 735 C TYR 95 3.270 0.909 8.910 1.00 0.00 ATOM 736 N LEU 96 2.382 0.222 8.221 1.00 0.00 ATOM 737 CA LEU 96 1.851 0.763 6.974 1.00 0.00 ATOM 738 CB LEU 96 0.921 -0.251 6.304 1.00 0.00 ATOM 739 CG LEU 96 1.584 -1.504 5.730 1.00 0.00 ATOM 740 CD1 LEU 96 0.535 -2.501 5.261 1.00 0.00 ATOM 741 CD2 LEU 96 2.466 -1.151 4.542 1.00 0.00 ATOM 742 O LEU 96 1.254 3.028 6.453 1.00 0.00 ATOM 743 C LEU 96 1.078 2.057 7.190 1.00 0.00 ATOM 744 N ILE 97 0.219 2.060 8.205 1.00 0.00 ATOM 745 CA ILE 97 -0.570 3.244 8.500 1.00 0.00 ATOM 746 CB ILE 97 -1.574 3.004 9.644 1.00 0.00 ATOM 747 CG1 ILE 97 -2.636 1.991 9.213 1.00 0.00 ATOM 748 CG2 ILE 97 -2.271 4.302 10.022 1.00 0.00 ATOM 749 CD1 ILE 97 -3.505 1.498 10.350 1.00 0.00 ATOM 750 O ILE 97 0.138 5.534 8.424 1.00 0.00 ATOM 751 C ILE 97 0.337 4.423 8.903 1.00 0.00 ATOM 752 N GLY 98 1.300 4.177 9.742 1.00 0.00 ATOM 753 CA GLY 98 2.205 5.246 10.157 1.00 0.00 ATOM 754 O GLY 98 3.269 6.983 8.879 1.00 0.00 ATOM 755 C GLY 98 2.961 5.789 8.949 1.00 0.00 ATOM 756 N VAL 99 3.282 4.920 7.998 1.00 0.00 ATOM 757 CA VAL 99 3.981 5.357 6.804 1.00 0.00 ATOM 758 CB VAL 99 4.333 4.146 5.919 1.00 0.00 ATOM 759 CG1 VAL 99 4.927 4.606 4.598 1.00 0.00 ATOM 760 CG2 VAL 99 5.347 3.255 6.617 1.00 0.00 ATOM 761 O VAL 99 3.519 7.340 5.537 1.00 0.00 ATOM 762 C VAL 99 3.066 6.314 6.046 1.00 0.00 ATOM 763 N MET 100 1.770 6.002 6.011 1.00 0.00 ATOM 764 CA MET 100 0.804 6.870 5.326 1.00 0.00 ATOM 765 CB MET 100 -0.591 6.243 5.349 1.00 0.00 ATOM 766 CG MET 100 -0.717 4.978 4.513 1.00 0.00 ATOM 767 SD MET 100 -0.397 5.267 2.762 1.00 0.00 ATOM 768 CE MET 100 1.312 4.748 2.640 1.00 0.00 ATOM 769 O MET 100 0.669 9.264 5.391 1.00 0.00 ATOM 770 C MET 100 0.755 8.219 6.035 1.00 0.00 ATOM 771 N GLU 101 0.842 8.188 7.339 1.00 0.00 ATOM 772 CA GLU 101 0.820 9.430 8.114 1.00 0.00 ATOM 773 CB GLU 101 0.762 9.125 9.613 1.00 0.00 ATOM 774 CG GLU 101 -0.562 8.542 10.078 1.00 0.00 ATOM 775 CD GLU 101 -0.541 8.139 11.538 1.00 0.00 ATOM 776 OE1 GLU 101 0.530 8.250 12.169 1.00 0.00 ATOM 777 OE2 GLU 101 -1.597 7.714 12.052 1.00 0.00 ATOM 778 O GLU 101 1.923 11.538 7.842 1.00 0.00 ATOM 779 C GLU 101 2.045 10.315 7.916 1.00 0.00 ATOM 780 N ASN 102 3.271 9.738 7.792 1.00 0.00 ATOM 781 CA ASN 102 4.495 10.510 7.595 1.00 0.00 ATOM 782 CB ASN 102 5.653 9.519 7.726 1.00 0.00 ATOM 783 CG ASN 102 5.890 9.085 9.159 1.00 0.00 ATOM 784 ND2 ASN 102 6.568 7.958 9.331 1.00 0.00 ATOM 785 OD1 ASN 102 5.468 9.759 10.099 1.00 0.00 ATOM 786 O ASN 102 4.982 12.278 6.045 1.00 0.00 ATOM 787 C ASN 102 4.526 11.147 6.207 1.00 0.00 ATOM 788 N LEU 103 4.053 10.417 5.206 1.00 0.00 ATOM 789 CA LEU 103 4.017 10.934 3.842 1.00 0.00 ATOM 790 CB LEU 103 3.645 9.817 2.862 1.00 0.00 ATOM 791 CG LEU 103 4.684 8.702 2.709 1.00 0.00 ATOM 792 CD1 LEU 103 4.130 7.596 1.821 1.00 0.00 ATOM 793 CD2 LEU 103 5.965 9.277 2.117 1.00 0.00 ATOM 794 O LEU 103 3.182 12.886 2.724 1.00 0.00 ATOM 795 C LEU 103 3.061 12.111 3.675 1.00 0.00 ATOM 796 N ALA 104 2.096 12.225 4.585 1.00 0.00 ATOM 797 CA ALA 104 1.119 13.306 4.533 1.00 0.00 ATOM 798 CB ALA 104 -0.274 12.834 4.636 1.00 0.00 ATOM 799 O ALA 104 1.309 15.498 5.483 1.00 0.00 ATOM 800 C ALA 104 1.500 14.293 5.634 1.00 0.00 ATOM 801 N ARG 105 2.142 13.775 6.791 1.00 0.00 ATOM 802 CA ARG 105 2.542 14.635 7.903 1.00 0.00 ATOM 803 CB ARG 105 3.327 14.048 8.942 1.00 0.00 ATOM 804 CG ARG 105 3.676 15.027 10.053 1.00 0.00 ATOM 805 CD ARG 105 4.161 14.296 11.297 1.00 0.00 ATOM 806 NE ARG 105 5.227 13.361 11.002 1.00 0.00 ATOM 807 CZ ARG 105 5.647 12.398 11.833 1.00 0.00 ATOM 808 NH1 ARG 105 5.120 12.251 13.044 1.00 0.00 ATOM 809 NH2 ARG 105 6.620 11.589 11.445 1.00 0.00 ATOM 810 O ARG 105 3.294 16.798 7.182 1.00 0.00 ATOM 811 C ARG 105 3.603 15.642 7.470 1.00 0.00 ATOM 812 N GLU 106 4.854 15.191 7.411 1.00 0.00 ATOM 813 CA GLU 106 5.949 16.058 7.012 1.00 0.00 ATOM 814 CB GLU 106 7.237 15.644 7.729 1.00 0.00 ATOM 815 CG GLU 106 7.437 16.291 9.090 1.00 0.00 ATOM 816 CD GLU 106 8.270 15.429 10.032 1.00 0.00 ATOM 817 OE1 GLU 106 7.715 14.933 11.042 1.00 0.00 ATOM 818 OE2 GLU 106 9.478 15.243 9.763 1.00 0.00 ATOM 819 O GLU 106 6.825 16.923 4.972 1.00 0.00 ATOM 820 C GLU 106 6.189 16.029 5.515 1.00 0.00 ATOM 821 N GLN 107 5.638 15.030 4.840 1.00 0.00 ATOM 822 CA GLN 107 5.848 14.894 3.407 1.00 0.00 ATOM 823 CB GLN 107 5.866 13.334 3.161 1.00 0.00 ATOM 824 CG GLN 107 5.781 12.909 1.704 1.00 0.00 ATOM 825 CD GLN 107 7.004 13.104 0.815 1.00 0.00 ATOM 826 OE1 GLN 107 7.762 14.099 0.921 1.00 0.00 ATOM 827 NE2 GLN 107 7.113 12.153 -0.131 1.00 0.00 ATOM 828 O GLN 107 5.357 16.298 1.523 1.00 0.00 ATOM 829 C GLN 107 4.911 15.681 2.496 1.00 0.00 ATOM 830 N TYR 108 3.620 15.660 2.793 1.00 0.00 ATOM 831 CA TYR 108 2.669 16.358 1.943 1.00 0.00 ATOM 832 CB TYR 108 1.654 15.366 1.352 1.00 0.00 ATOM 833 CG TYR 108 2.225 14.573 0.170 1.00 0.00 ATOM 834 CD1 TYR 108 2.153 15.072 -1.151 1.00 0.00 ATOM 835 CD2 TYR 108 2.915 13.352 0.396 1.00 0.00 ATOM 836 CE1 TYR 108 2.757 14.391 -2.189 1.00 0.00 ATOM 837 CE2 TYR 108 3.523 12.653 -0.651 1.00 0.00 ATOM 838 CZ TYR 108 3.449 13.166 -1.912 1.00 0.00 ATOM 839 OH TYR 108 4.085 12.485 -2.907 1.00 0.00 ATOM 840 O TYR 108 1.204 18.253 1.949 1.00 0.00 ATOM 841 C TYR 108 2.015 17.577 2.581 1.00 0.00 ATOM 842 N LYS 109 2.331 17.856 3.827 1.00 0.00 ATOM 843 CA LYS 109 1.762 18.992 4.538 1.00 0.00 ATOM 844 CB LYS 109 2.641 20.192 4.556 1.00 0.00 ATOM 845 CG LYS 109 3.690 20.047 5.657 1.00 0.00 ATOM 846 CD LYS 109 4.817 21.058 5.460 1.00 0.00 ATOM 847 CE LYS 109 5.667 20.682 4.242 1.00 0.00 ATOM 848 NZ LYS 109 5.207 21.424 3.018 1.00 0.00 ATOM 849 O LYS 109 -0.403 20.036 4.405 1.00 0.00 ATOM 850 C LYS 109 0.229 18.992 4.572 1.00 0.00 ATOM 851 N ALA 110 -0.368 17.824 4.795 1.00 0.00 ATOM 852 CA ALA 110 -1.826 17.736 4.864 1.00 0.00 ATOM 853 CB ALA 110 -2.294 16.356 4.422 1.00 0.00 ATOM 854 O ALA 110 -1.739 17.411 7.241 1.00 0.00 ATOM 855 C ALA 110 -2.297 17.973 6.297 1.00 0.00 ATOM 856 N ARG 111 -3.345 18.781 6.450 1.00 0.00 ATOM 857 CA ARG 111 -3.902 19.121 7.760 1.00 0.00 ATOM 858 CB ARG 111 -4.784 20.448 7.616 1.00 0.00 ATOM 859 CG ARG 111 -5.454 20.826 8.875 1.00 0.00 ATOM 860 CD ARG 111 -6.111 22.229 8.843 1.00 0.00 ATOM 861 NE ARG 111 -6.885 22.438 10.061 1.00 0.00 ATOM 862 CZ ARG 111 -7.246 23.636 10.516 1.00 0.00 ATOM 863 NH1 ARG 111 -6.916 24.733 9.845 1.00 0.00 ATOM 864 NH2 ARG 111 -7.933 23.730 11.645 1.00 0.00 ATOM 865 O ARG 111 -4.367 17.784 9.692 1.00 0.00 ATOM 866 C ARG 111 -4.487 17.909 8.477 1.00 0.00 ATOM 867 N LEU 112 -5.186 17.047 7.748 1.00 0.00 ATOM 868 CA LEU 112 -5.753 15.877 8.392 1.00 0.00 ATOM 869 CB LEU 112 -7.211 16.184 8.736 1.00 0.00 ATOM 870 CG LEU 112 -8.122 16.552 7.563 1.00 0.00 ATOM 871 CD1 LEU 112 -8.668 15.300 6.895 1.00 0.00 ATOM 872 CD2 LEU 112 -9.299 17.390 8.037 1.00 0.00 ATOM 873 O LEU 112 -5.561 14.677 6.333 1.00 0.00 ATOM 874 C LEU 112 -5.757 14.624 7.543 1.00 0.00 ATOM 875 N MET 113 -5.919 13.488 8.210 1.00 0.00 ATOM 876 CA MET 113 -5.932 12.192 7.556 1.00 0.00 ATOM 877 CB MET 113 -4.801 11.314 8.090 1.00 0.00 ATOM 878 CG MET 113 -3.426 11.918 7.908 1.00 0.00 ATOM 879 SD MET 113 -2.964 12.053 6.173 1.00 0.00 ATOM 880 CE MET 113 -1.894 10.632 6.009 1.00 0.00 ATOM 881 O MET 113 -7.732 11.644 9.040 1.00 0.00 ATOM 882 C MET 113 -7.255 11.525 7.914 1.00 0.00 ATOM 883 N LYS 114 -7.851 10.827 6.952 1.00 0.00 ATOM 884 CA LYS 114 -9.145 10.195 7.188 1.00 0.00 ATOM 885 CB LYS 114 -10.270 11.126 6.729 1.00 0.00 ATOM 886 CG LYS 114 -10.289 11.384 5.231 1.00 0.00 ATOM 887 CD LYS 114 -11.417 12.326 4.847 1.00 0.00 ATOM 888 CE LYS 114 -11.415 12.613 3.354 1.00 0.00 ATOM 889 NZ LYS 114 -12.568 13.467 2.951 1.00 0.00 ATOM 890 O LYS 114 -8.887 8.953 5.162 1.00 0.00 ATOM 891 C LYS 114 -9.329 8.969 6.311 1.00 0.00 ATOM 892 N ILE 115 -9.907 7.806 6.819 1.00 0.00 ATOM 893 CA ILE 115 -10.081 6.558 6.092 1.00 0.00 ATOM 894 CB ILE 115 -9.088 5.514 6.636 1.00 0.00 ATOM 895 CG1 ILE 115 -9.063 4.279 5.732 1.00 0.00 ATOM 896 CG2 ILE 115 -9.489 5.075 8.037 1.00 0.00 ATOM 897 CD1 ILE 115 -7.883 3.365 5.980 1.00 0.00 ATOM 898 O ILE 115 -12.221 6.566 7.181 1.00 0.00 ATOM 899 C ILE 115 -11.502 6.054 6.321 1.00 0.00 ATOM 900 N SER 116 -11.855 5.077 5.520 1.00 0.00 ATOM 901 CA SER 116 -13.183 4.481 5.623 1.00 0.00 ATOM 902 CB SER 116 -13.939 4.537 4.293 1.00 0.00 ATOM 903 OG SER 116 -14.248 5.874 3.940 1.00 0.00 ATOM 904 O SER 116 -12.247 2.308 5.290 1.00 0.00 ATOM 905 C SER 116 -12.997 3.007 5.964 1.00 0.00 ATOM 906 N CYS 117 -13.650 2.531 7.021 1.00 0.00 ATOM 907 CA CYS 117 -13.519 1.136 7.427 1.00 0.00 ATOM 908 CB CYS 117 -12.652 1.081 8.688 1.00 0.00 ATOM 909 SG CYS 117 -12.343 -0.587 9.309 1.00 0.00 ATOM 910 O CYS 117 -15.731 1.039 8.358 1.00 0.00 ATOM 911 C CYS 117 -14.843 0.453 7.742 1.00 0.00 ATOM 912 N PHE 118 -15.013 -0.746 7.192 1.00 0.00 ATOM 913 CA PHE 118 -16.223 -1.541 7.398 1.00 0.00 ATOM 914 CB PHE 118 -16.028 -2.915 6.764 1.00 0.00 ATOM 915 CG PHE 118 -17.204 -3.844 6.867 1.00 0.00 ATOM 916 CD1 PHE 118 -18.466 -3.467 6.410 1.00 0.00 ATOM 917 CD2 PHE 118 -17.107 -5.107 7.422 1.00 0.00 ATOM 918 CE1 PHE 118 -19.581 -4.287 6.526 1.00 0.00 ATOM 919 CE2 PHE 118 -18.216 -5.903 7.506 1.00 0.00 ATOM 920 CZ PHE 118 -19.459 -5.552 7.019 1.00 0.00 ATOM 921 O PHE 118 -15.559 -2.191 9.615 1.00 0.00 ATOM 922 C PHE 118 -16.451 -1.735 8.896 1.00 0.00 ATOM 923 N ASN 119 -17.711 -1.378 9.371 1.00 0.00 ATOM 924 CA ASN 119 -18.038 -1.477 10.793 1.00 0.00 ATOM 925 CB ASN 119 -19.511 -1.134 11.029 1.00 0.00 ATOM 926 CG ASN 119 -19.851 -1.008 12.501 1.00 0.00 ATOM 927 ND2 ASN 119 -20.738 -1.872 12.979 1.00 0.00 ATOM 928 OD1 ASN 119 -19.320 -0.142 13.198 1.00 0.00 ATOM 929 O ASN 119 -17.470 -2.951 12.591 1.00 0.00 ATOM 930 C ASN 119 -17.778 -2.847 11.407 1.00 0.00 ATOM 931 N ALA 120 -17.938 -3.932 10.596 1.00 0.00 ATOM 932 CA ALA 120 -17.736 -5.293 11.070 1.00 0.00 ATOM 933 CB ALA 120 -18.408 -6.285 10.136 1.00 0.00 ATOM 934 O ALA 120 -16.102 -7.016 11.293 1.00 0.00 ATOM 935 C ALA 120 -16.324 -5.821 11.115 1.00 0.00 ATOM 936 N ASN 121 -15.325 -4.868 10.841 1.00 0.00 ATOM 937 CA ASN 121 -13.935 -5.144 10.857 1.00 0.00 ATOM 938 CB ASN 121 -13.141 -4.468 9.738 1.00 0.00 ATOM 939 CG ASN 121 -11.679 -4.865 9.739 1.00 0.00 ATOM 940 ND2 ASN 121 -10.843 -4.042 9.116 1.00 0.00 ATOM 941 OD1 ASN 121 -11.307 -5.898 10.294 1.00 0.00 ATOM 942 O ASN 121 -12.742 -3.602 12.283 1.00 0.00 ATOM 943 C ASN 121 -13.439 -4.615 12.208 1.00 0.00 ATOM 944 N ALA 122 -13.812 -5.319 13.275 1.00 0.00 ATOM 945 CA ALA 122 -13.437 -4.934 14.631 1.00 0.00 ATOM 946 CB ALA 122 -13.938 -6.008 15.680 1.00 0.00 ATOM 947 O ALA 122 -11.458 -4.007 15.575 1.00 0.00 ATOM 948 C ALA 122 -11.936 -4.882 14.858 1.00 0.00 ATOM 949 N ALA 123 -11.198 -5.814 14.263 1.00 0.00 ATOM 950 CA ALA 123 -9.746 -5.829 14.423 1.00 0.00 ATOM 951 CB ALA 123 -9.140 -7.001 13.666 1.00 0.00 ATOM 952 O ALA 123 -8.267 -3.940 14.552 1.00 0.00 ATOM 953 C ALA 123 -9.111 -4.544 13.891 1.00 0.00 ATOM 954 N GLY 124 -9.517 -4.126 12.696 1.00 0.00 ATOM 955 CA GLY 124 -8.974 -2.921 12.095 1.00 0.00 ATOM 956 O GLY 124 -8.590 -0.732 13.000 1.00 0.00 ATOM 957 C GLY 124 -9.383 -1.666 12.864 1.00 0.00 ATOM 958 N LEU 125 -10.632 -1.621 13.318 1.00 0.00 ATOM 959 CA LEU 125 -11.120 -0.472 14.074 1.00 0.00 ATOM 960 CB LEU 125 -12.589 -0.665 14.455 1.00 0.00 ATOM 961 CG LEU 125 -13.603 -0.603 13.310 1.00 0.00 ATOM 962 CD1 LEU 125 -14.988 -0.999 13.795 1.00 0.00 ATOM 963 CD2 LEU 125 -13.683 0.805 12.738 1.00 0.00 ATOM 964 O LEU 125 -9.876 0.817 15.676 1.00 0.00 ATOM 965 C LEU 125 -10.304 -0.293 15.348 1.00 0.00 ATOM 966 N LEU 126 -10.077 -1.393 16.057 1.00 0.00 ATOM 967 CA LEU 126 -9.304 -1.368 17.296 1.00 0.00 ATOM 968 CB LEU 126 -9.242 -2.764 17.918 1.00 0.00 ATOM 969 CG LEU 126 -10.553 -3.309 18.493 1.00 0.00 ATOM 970 CD1 LEU 126 -10.392 -4.764 18.909 1.00 0.00 ATOM 971 CD2 LEU 126 -10.976 -2.508 19.715 1.00 0.00 ATOM 972 O LEU 126 -7.307 -0.151 17.825 1.00 0.00 ATOM 973 C LEU 126 -7.874 -0.895 17.031 1.00 0.00 ATOM 974 N LEU 127 -7.298 -1.352 15.923 1.00 0.00 ATOM 975 CA LEU 127 -5.944 -0.958 15.533 1.00 0.00 ATOM 976 CB LEU 127 -5.442 -1.612 14.338 1.00 0.00 ATOM 977 CG LEU 127 -5.035 -3.059 14.429 1.00 0.00 ATOM 978 CD1 LEU 127 -4.632 -3.562 13.053 1.00 0.00 ATOM 979 CD2 LEU 127 -3.825 -3.293 15.365 1.00 0.00 ATOM 980 O LEU 127 -5.055 1.257 15.837 1.00 0.00 ATOM 981 C LEU 127 -5.900 0.552 15.281 1.00 0.00 ATOM 982 N TYR 128 -6.824 1.048 14.463 1.00 0.00 ATOM 983 CA TYR 128 -6.864 2.479 14.155 1.00 0.00 ATOM 984 CB TYR 128 -8.036 2.794 13.223 1.00 0.00 ATOM 985 CG TYR 128 -7.876 2.236 11.828 1.00 0.00 ATOM 986 CD1 TYR 128 -6.639 1.794 11.377 1.00 0.00 ATOM 987 CD2 TYR 128 -8.962 2.154 10.966 1.00 0.00 ATOM 988 CE1 TYR 128 -6.486 1.281 10.101 1.00 0.00 ATOM 989 CE2 TYR 128 -8.826 1.644 9.689 1.00 0.00 ATOM 990 CZ TYR 128 -7.574 1.206 9.261 1.00 0.00 ATOM 991 OH TYR 128 -7.422 0.698 7.992 1.00 0.00 ATOM 992 O TYR 128 -6.452 4.394 15.495 1.00 0.00 ATOM 993 C TYR 128 -7.075 3.334 15.379 1.00 0.00 ATOM 994 N THR 129 -7.904 2.964 16.313 1.00 0.00 ATOM 995 CA THR 129 -8.119 3.695 17.548 1.00 0.00 ATOM 996 CB THR 129 -9.231 3.071 18.410 1.00 0.00 ATOM 997 CG2 THR 129 -9.426 3.873 19.690 1.00 0.00 ATOM 998 OG1 THR 129 -10.462 3.063 17.677 1.00 0.00 ATOM 999 O THR 129 -6.525 4.787 18.984 1.00 0.00 ATOM 1000 C THR 129 -6.841 3.759 18.387 1.00 0.00 ATOM 1001 N GLN 130 -6.115 2.652 18.425 1.00 0.00 ATOM 1002 CA GLN 130 -4.856 2.611 19.159 1.00 0.00 ATOM 1003 CB GLN 130 -4.266 1.200 19.137 1.00 0.00 ATOM 1004 CG GLN 130 -5.057 0.184 19.944 1.00 0.00 ATOM 1005 CD GLN 130 -4.508 -1.224 19.809 1.00 0.00 ATOM 1006 OE1 GLN 130 -3.587 -1.468 19.028 1.00 0.00 ATOM 1007 NE2 GLN 130 -5.071 -2.153 20.570 1.00 0.00 ATOM 1008 O GLN 130 -2.946 4.069 19.200 1.00 0.00 ATOM 1009 C GLN 130 -3.826 3.537 18.518 1.00 0.00 ATOM 1010 N LEU 131 -3.948 3.727 17.210 1.00 0.00 ATOM 1011 CA LEU 131 -3.046 4.591 16.459 1.00 0.00 ATOM 1012 CB LEU 131 -2.851 4.120 15.025 1.00 0.00 ATOM 1013 CG LEU 131 -2.258 2.719 14.855 1.00 0.00 ATOM 1014 CD1 LEU 131 -2.183 2.393 13.362 1.00 0.00 ATOM 1015 CD2 LEU 131 -0.894 2.627 15.504 1.00 0.00 ATOM 1016 O LEU 131 -2.751 6.918 15.917 1.00 0.00 ATOM 1017 C LEU 131 -3.440 6.071 16.493 1.00 0.00 ATOM 1018 N GLY 132 -4.554 6.374 17.163 1.00 0.00 ATOM 1019 CA GLY 132 -4.968 7.748 17.404 1.00 0.00 ATOM 1020 O GLY 132 -6.426 9.426 16.548 1.00 0.00 ATOM 1021 C GLY 132 -6.097 8.235 16.524 1.00 0.00 ATOM 1022 N TYR 133 -6.681 7.353 15.724 1.00 0.00 ATOM 1023 CA TYR 133 -7.792 7.755 14.863 1.00 0.00 ATOM 1024 CB TYR 133 -7.905 6.810 13.666 1.00 0.00 ATOM 1025 CG TYR 133 -6.812 6.989 12.636 1.00 0.00 ATOM 1026 CD1 TYR 133 -5.705 6.152 12.623 1.00 0.00 ATOM 1027 CD2 TYR 133 -6.893 7.994 11.681 1.00 0.00 ATOM 1028 CE1 TYR 133 -4.701 6.309 11.687 1.00 0.00 ATOM 1029 CE2 TYR 133 -5.900 8.165 10.738 1.00 0.00 ATOM 1030 CZ TYR 133 -4.799 7.312 10.747 1.00 0.00 ATOM 1031 OH TYR 133 -3.800 7.471 9.811 1.00 0.00 ATOM 1032 O TYR 133 -9.252 6.865 16.538 1.00 0.00 ATOM 1033 C TYR 133 -9.100 7.698 15.648 1.00 0.00 ATOM 1034 N GLN 134 -10.045 8.563 15.288 1.00 0.00 ATOM 1035 CA GLN 134 -11.345 8.618 15.953 1.00 0.00 ATOM 1036 CB GLN 134 -11.449 9.875 16.819 1.00 0.00 ATOM 1037 CG GLN 134 -10.437 9.932 17.953 1.00 0.00 ATOM 1038 CD GLN 134 -10.602 11.165 18.818 1.00 0.00 ATOM 1039 OE1 GLN 134 -11.394 12.053 18.506 1.00 0.00 ATOM 1040 NE2 GLN 134 -9.852 11.222 19.915 1.00 0.00 ATOM 1041 O GLN 134 -12.341 9.213 13.843 1.00 0.00 ATOM 1042 C GLN 134 -12.476 8.647 14.927 1.00 0.00 ATOM 1043 N PRO 135 -13.610 8.056 15.278 1.00 0.00 ATOM 1044 CA PRO 135 -14.742 8.031 14.367 1.00 0.00 ATOM 1045 CB PRO 135 -15.669 6.967 14.960 1.00 0.00 ATOM 1046 CG PRO 135 -15.350 6.964 16.417 1.00 0.00 ATOM 1047 CD PRO 135 -13.881 7.263 16.523 1.00 0.00 ATOM 1048 O PRO 135 -15.859 9.921 15.345 1.00 0.00 ATOM 1049 C PRO 135 -15.407 9.401 14.320 1.00 0.00 ATOM 1050 N ARG 136 -15.468 9.980 13.125 1.00 0.00 ATOM 1051 CA ARG 136 -16.079 11.292 12.934 1.00 0.00 ATOM 1052 CB ARG 136 -15.066 12.238 12.254 1.00 0.00 ATOM 1053 CG ARG 136 -15.608 13.647 12.050 1.00 0.00 ATOM 1054 CD ARG 136 -14.554 14.587 11.496 1.00 0.00 ATOM 1055 NE ARG 136 -15.068 15.945 11.336 1.00 0.00 ATOM 1056 CZ ARG 136 -14.340 16.972 10.909 1.00 0.00 ATOM 1057 NH1 ARG 136 -13.062 16.794 10.596 1.00 0.00 ATOM 1058 NH2 ARG 136 -14.885 18.178 10.799 1.00 0.00 ATOM 1059 O ARG 136 -18.304 11.958 12.415 1.00 0.00 ATOM 1060 C ARG 136 -17.431 11.090 12.265 1.00 0.00 ATOM 1061 N ALA 137 -17.632 9.962 11.466 1.00 0.00 ATOM 1062 CA ALA 137 -18.890 9.740 10.767 1.00 0.00 ATOM 1063 CB ALA 137 -18.909 10.555 9.482 1.00 0.00 ATOM 1064 O ALA 137 -18.261 7.428 10.627 1.00 0.00 ATOM 1065 C ALA 137 -19.105 8.289 10.380 1.00 0.00 ATOM 1066 N ILE 138 -20.227 8.024 9.725 1.00 0.00 ATOM 1067 CA ILE 138 -20.560 6.676 9.296 1.00 0.00 ATOM 1068 CB ILE 138 -21.042 5.810 10.475 1.00 0.00 ATOM 1069 CG1 ILE 138 -21.226 4.357 10.032 1.00 0.00 ATOM 1070 CG2 ILE 138 -22.371 6.326 11.005 1.00 0.00 ATOM 1071 CD1 ILE 138 -21.381 3.384 11.179 1.00 0.00 ATOM 1072 O ILE 138 -22.599 7.574 8.434 1.00 0.00 ATOM 1073 C ILE 138 -21.659 6.799 8.257 1.00 0.00 ATOM 1074 N ALA 139 -21.556 6.027 7.188 1.00 0.00 ATOM 1075 CA ALA 139 -22.551 6.061 6.128 1.00 0.00 ATOM 1076 CB ALA 139 -21.932 6.591 4.814 1.00 0.00 ATOM 1077 O ALA 139 -22.480 3.659 6.186 1.00 0.00 ATOM 1078 C ALA 139 -23.110 4.659 5.921 1.00 0.00 ATOM 1079 N GLU 140 -24.306 4.614 5.435 1.00 0.00 ATOM 1080 CA GLU 140 -24.957 3.356 5.268 1.00 0.00 ATOM 1081 CB GLU 140 -26.507 3.938 4.623 1.00 0.00 ATOM 1082 CG GLU 140 -27.013 5.346 4.940 1.00 0.00 ATOM 1083 CD GLU 140 -27.641 5.458 6.318 1.00 0.00 ATOM 1084 OE1 GLU 140 -28.215 4.463 6.801 1.00 0.00 ATOM 1085 OE2 GLU 140 -27.575 6.553 6.918 1.00 0.00 ATOM 1086 O GLU 140 -24.765 1.163 4.302 1.00 0.00 ATOM 1087 C GLU 140 -24.438 2.332 4.224 1.00 0.00 ATOM 1088 N ARG 141 -23.737 2.949 3.130 1.00 0.00 ATOM 1089 CA ARG 141 -23.424 1.996 2.084 1.00 0.00 ATOM 1090 CB ARG 141 -24.233 2.308 0.844 1.00 0.00 ATOM 1091 CG ARG 141 -23.762 1.565 -0.387 1.00 0.00 ATOM 1092 CD ARG 141 -24.775 1.632 -1.506 1.00 0.00 ATOM 1093 NE ARG 141 -24.269 0.953 -2.693 1.00 0.00 ATOM 1094 CZ ARG 141 -25.023 0.530 -3.705 1.00 0.00 ATOM 1095 NH1 ARG 141 -26.336 0.710 -3.693 1.00 0.00 ATOM 1096 NH2 ARG 141 -24.455 -0.084 -4.733 1.00 0.00 ATOM 1097 O ARG 141 -21.498 3.354 1.917 1.00 0.00 ATOM 1098 C ARG 141 -22.017 2.269 1.674 1.00 0.00 ATOM 1099 N HIS 142 -22.140 0.833 1.967 1.00 0.00 ATOM 1100 CA HIS 142 -21.429 0.087 0.933 1.00 0.00 ATOM 1101 CB HIS 142 -20.245 -0.580 1.587 1.00 0.00 ATOM 1102 CG HIS 142 -19.578 -1.591 0.661 1.00 0.00 ATOM 1103 CD2 HIS 142 -19.266 -2.887 0.829 1.00 0.00 ATOM 1104 ND1 HIS 142 -19.170 -1.240 -0.623 1.00 0.00 ATOM 1105 CE1 HIS 142 -18.618 -2.312 -1.185 1.00 0.00 ATOM 1106 NE2 HIS 142 -18.649 -3.317 -0.328 1.00 0.00 ATOM 1107 O HIS 142 -23.177 -1.451 1.390 1.00 0.00 ATOM 1108 C HIS 142 -22.256 -1.138 0.620 1.00 0.00 ATOM 1109 N ASP 143 -21.938 -1.721 -0.538 1.00 0.00 ATOM 1110 CA ASP 143 -22.636 -2.947 -0.925 1.00 0.00 ATOM 1111 CB ASP 143 -23.307 -2.725 -2.303 1.00 0.00 ATOM 1112 CG ASP 143 -24.208 -3.860 -2.731 1.00 0.00 ATOM 1113 OD1 ASP 143 -24.837 -4.490 -1.862 1.00 0.00 ATOM 1114 OD2 ASP 143 -24.295 -4.103 -3.955 1.00 0.00 ATOM 1115 O ASP 143 -21.598 -4.876 -1.909 1.00 0.00 ATOM 1116 C ASP 143 -22.079 -4.366 -0.896 1.00 0.00 ATOM 1117 N PRO 144 -22.127 -4.984 0.281 1.00 0.00 ATOM 1118 CA PRO 144 -21.685 -6.363 0.459 1.00 0.00 ATOM 1119 CB PRO 144 -21.626 -6.394 1.988 1.00 0.00 ATOM 1120 CG PRO 144 -22.798 -5.580 2.423 1.00 0.00 ATOM 1121 CD PRO 144 -22.993 -4.530 1.366 1.00 0.00 ATOM 1122 O PRO 144 -23.789 -7.533 0.370 1.00 0.00 ATOM 1123 C PRO 144 -22.643 -7.417 -0.094 1.00 0.00 ATOM 1124 N ASP 145 -22.149 -8.084 -1.146 1.00 0.00 ATOM 1125 CA ASP 145 -22.974 -9.039 -1.892 1.00 0.00 ATOM 1126 CB ASP 145 -23.587 -9.993 -0.865 1.00 0.00 ATOM 1127 CG ASP 145 -22.568 -10.950 -0.276 1.00 0.00 ATOM 1128 OD1 ASP 145 -21.453 -11.045 -0.830 1.00 0.00 ATOM 1129 OD2 ASP 145 -22.883 -11.604 0.740 1.00 0.00 ATOM 1130 O ASP 145 -23.857 -7.789 -3.721 1.00 0.00 ATOM 1131 C ASP 145 -24.089 -8.347 -2.651 1.00 0.00 ATOM 1132 N GLY 146 -25.375 -8.404 -1.993 1.00 0.00 ATOM 1133 CA GLY 146 -26.513 -7.778 -2.655 1.00 0.00 ATOM 1134 O GLY 146 -28.386 -6.460 -1.939 1.00 0.00 ATOM 1135 C GLY 146 -27.257 -6.871 -1.678 1.00 0.00 ATOM 1136 N ARG 147 -26.388 -6.382 -0.592 1.00 0.00 ATOM 1137 CA ARG 147 -26.960 -5.888 0.661 1.00 0.00 ATOM 1138 CB ARG 147 -26.815 -6.945 1.746 1.00 0.00 ATOM 1139 CG ARG 147 -27.167 -6.471 3.149 1.00 0.00 ATOM 1140 CD ARG 147 -27.240 -7.640 4.123 1.00 0.00 ATOM 1141 NE ARG 147 -26.039 -8.475 4.101 1.00 0.00 ATOM 1142 CZ ARG 147 -24.961 -8.269 4.854 1.00 0.00 ATOM 1143 NH1 ARG 147 -24.918 -7.247 5.701 1.00 0.00 ATOM 1144 NH2 ARG 147 -23.923 -9.089 4.768 1.00 0.00 ATOM 1145 O ARG 147 -25.002 -4.528 0.922 1.00 0.00 ATOM 1146 C ARG 147 -26.190 -4.678 1.188 1.00 0.00 ATOM 1147 N ARG 148 -26.871 -3.792 1.908 1.00 0.00 ATOM 1148 CA ARG 148 -26.196 -2.619 2.443 1.00 0.00 ATOM 1149 CB ARG 148 -27.180 -1.404 2.398 1.00 0.00 ATOM 1150 CG ARG 148 -27.685 -1.044 1.018 1.00 0.00 ATOM 1151 CD ARG 148 -28.847 -0.083 1.099 1.00 0.00 ATOM 1152 NE ARG 148 -29.456 0.104 -0.214 1.00 0.00 ATOM 1153 CZ ARG 148 -29.160 1.101 -1.038 1.00 0.00 ATOM 1154 NH1 ARG 148 -28.265 2.013 -0.684 1.00 0.00 ATOM 1155 NH2 ARG 148 -29.755 1.182 -2.220 1.00 0.00 ATOM 1156 O ARG 148 -25.963 -3.678 4.600 1.00 0.00 ATOM 1157 C ARG 148 -25.482 -2.908 3.758 1.00 0.00 ATOM 1158 N VAL 149 -24.334 -2.263 3.921 1.00 0.00 ATOM 1159 CA VAL 149 -23.530 -2.380 5.127 1.00 0.00 ATOM 1160 CB VAL 149 -22.238 -3.182 4.929 1.00 0.00 ATOM 1161 CG1 VAL 149 -22.549 -4.650 4.643 1.00 0.00 ATOM 1162 CG2 VAL 149 -21.354 -2.598 3.829 1.00 0.00 ATOM 1163 O VAL 149 -23.143 -0.067 4.707 1.00 0.00 ATOM 1164 C VAL 149 -23.110 -0.977 5.531 1.00 0.00 ATOM 1165 N ALA 150 -22.548 -0.834 6.725 1.00 0.00 ATOM 1166 CA ALA 150 -22.127 0.483 7.191 1.00 0.00 ATOM 1167 CB ALA 150 -22.571 0.671 8.634 1.00 0.00 ATOM 1168 O ALA 150 -19.842 -0.164 7.533 1.00 0.00 ATOM 1169 C ALA 150 -20.619 0.691 7.106 1.00 0.00 ATOM 1170 N LEU 151 -20.232 1.852 6.587 1.00 0.00 ATOM 1171 CA LEU 151 -18.823 2.211 6.471 1.00 0.00 ATOM 1172 CB LEU 151 -18.530 2.716 5.058 1.00 0.00 ATOM 1173 CG LEU 151 -17.104 3.202 4.793 1.00 0.00 ATOM 1174 CD1 LEU 151 -16.113 2.053 4.922 1.00 0.00 ATOM 1175 CD2 LEU 151 -16.983 3.778 3.390 1.00 0.00 ATOM 1176 O LEU 151 -19.224 4.356 7.439 1.00 0.00 ATOM 1177 C LEU 151 -18.563 3.325 7.485 1.00 0.00 ATOM 1178 N ILE 152 -17.615 3.130 8.395 1.00 0.00 ATOM 1179 CA ILE 152 -17.313 4.165 9.374 1.00 0.00 ATOM 1180 CB ILE 152 -16.826 3.528 10.697 1.00 0.00 ATOM 1181 CG1 ILE 152 -17.989 2.700 11.298 1.00 0.00 ATOM 1182 CG2 ILE 152 -16.399 4.624 11.655 1.00 0.00 ATOM 1183 CD1 ILE 152 -17.596 1.812 12.386 1.00 0.00 ATOM 1184 O ILE 152 -15.171 4.542 8.342 1.00 0.00 ATOM 1185 C ILE 152 -16.178 5.046 8.857 1.00 0.00 ATOM 1186 N GLN 153 -16.347 6.357 8.970 1.00 0.00 ATOM 1187 CA GLN 153 -15.314 7.288 8.535 1.00 0.00 ATOM 1188 CB GLN 153 -15.945 8.533 7.907 1.00 0.00 ATOM 1189 CG GLN 153 -14.938 9.531 7.361 1.00 0.00 ATOM 1190 CD GLN 153 -15.599 10.723 6.699 1.00 0.00 ATOM 1191 OE1 GLN 153 -16.820 10.761 6.542 1.00 0.00 ATOM 1192 NE2 GLN 153 -14.792 11.704 6.306 1.00 0.00 ATOM 1193 O GLN 153 -15.090 8.223 10.729 1.00 0.00 ATOM 1194 C GLN 153 -14.535 7.654 9.791 1.00 0.00 ATOM 1195 N MET 154 -13.245 7.341 9.795 1.00 0.00 ATOM 1196 CA MET 154 -12.399 7.618 10.942 1.00 0.00 ATOM 1197 CB MET 154 -11.818 6.318 11.500 1.00 0.00 ATOM 1198 CG MET 154 -12.853 5.374 12.086 1.00 0.00 ATOM 1199 SD MET 154 -12.117 3.907 12.828 1.00 0.00 ATOM 1200 CE MET 154 -11.240 4.630 14.212 1.00 0.00 ATOM 1201 O MET 154 -10.577 8.216 9.512 1.00 0.00 ATOM 1202 C MET 154 -11.274 8.525 10.486 1.00 0.00 ATOM 1203 N ASP 155 -10.939 9.492 11.430 1.00 0.00 ATOM 1204 CA ASP 155 -9.837 10.382 11.011 1.00 0.00 ATOM 1205 CB ASP 155 -10.439 11.597 10.303 1.00 0.00 ATOM 1206 CG ASP 155 -11.327 12.420 11.214 1.00 0.00 ATOM 1207 OD1 ASP 155 -11.274 12.209 12.444 1.00 0.00 ATOM 1208 OD2 ASP 155 -12.078 13.275 10.698 1.00 0.00 ATOM 1209 O ASP 155 -9.291 10.560 13.333 1.00 0.00 ATOM 1210 C ASP 155 -9.035 10.904 12.182 1.00 0.00 ATOM 1211 N LYS 156 -8.006 11.674 11.853 1.00 0.00 ATOM 1212 CA LYS 156 -7.124 12.252 12.844 1.00 0.00 ATOM 1213 CB LYS 156 -6.011 11.272 13.220 1.00 0.00 ATOM 1214 CG LYS 156 -5.123 11.747 14.360 1.00 0.00 ATOM 1215 CD LYS 156 -4.101 10.687 14.742 1.00 0.00 ATOM 1216 CE LYS 156 -3.277 11.125 15.941 1.00 0.00 ATOM 1217 NZ LYS 156 -2.258 10.106 16.315 1.00 0.00 ATOM 1218 O LYS 156 -6.025 13.507 11.116 1.00 0.00 ATOM 1219 C LYS 156 -6.512 13.509 12.251 1.00 0.00 ATOM 1220 N PRO 157 -6.513 14.574 13.042 1.00 0.00 ATOM 1221 CA PRO 157 -5.948 15.838 12.609 1.00 0.00 ATOM 1222 CB PRO 157 -6.713 16.879 13.427 1.00 0.00 ATOM 1223 CG PRO 157 -7.003 16.200 14.723 1.00 0.00 ATOM 1224 CD PRO 157 -7.248 14.754 14.390 1.00 0.00 ATOM 1225 O PRO 157 -4.005 15.404 13.968 1.00 0.00 ATOM 1226 C PRO 157 -4.453 15.819 12.895 1.00 0.00 ATOM 1227 N LEU 158 -3.605 16.301 11.941 1.00 0.00 ATOM 1228 CA LEU 158 -2.154 16.352 12.053 1.00 0.00 ATOM 1229 CB LEU 158 -1.546 15.720 10.799 1.00 0.00 ATOM 1230 CG LEU 158 -1.840 14.234 10.578 1.00 0.00 ATOM 1231 CD1 LEU 158 -1.279 13.768 9.245 1.00 0.00 ATOM 1232 CD2 LEU 158 -1.215 13.392 11.680 1.00 0.00 ATOM 1233 O LEU 158 -2.260 18.622 12.842 1.00 0.00 ATOM 1234 C LEU 158 -1.676 17.803 12.131 1.00 0.00 ATOM 1235 N GLU 159 -0.614 18.107 11.387 1.00 0.00 ATOM 1236 CA GLU 159 -0.043 19.460 11.373 1.00 0.00 ATOM 1237 CB GLU 159 1.475 19.388 11.491 1.00 0.00 ATOM 1238 CG GLU 159 1.970 18.454 12.577 1.00 0.00 ATOM 1239 CD GLU 159 1.753 18.976 13.975 1.00 0.00 ATOM 1240 OE1 GLU 159 1.593 20.195 14.142 1.00 0.00 ATOM 1241 OE2 GLU 159 1.735 18.156 14.906 1.00 0.00 ATOM 1242 O GLU 159 -0.683 19.594 9.063 1.00 0.00 ATOM 1243 C GLU 159 -0.485 20.217 10.113 1.00 0.00 ATOM 1244 N PRO 160 -0.646 21.541 10.202 1.00 0.00 ATOM 1245 CA PRO 160 -0.939 22.344 9.010 1.00 0.00 ATOM 1246 CB PRO 160 -0.917 23.784 9.538 1.00 0.00 ATOM 1247 CG PRO 160 -1.245 23.663 10.969 1.00 0.00 ATOM 1248 CD PRO 160 -0.590 22.381 11.414 1.00 0.00 ATOM 1249 O PRO 160 1.316 22.114 8.276 1.00 0.00 ATOM 1250 C PRO 160 0.126 22.153 7.939 1.00 0.00 TER END