PFRMAT TS TARGET T0319 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 chracteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting chracteristics 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 We still have nothing but junk for this target. METHOD Here's the best we came up with. Everything was created by repeated METHOD insertion of alignments, so it is difficult to tell what templates METHOD were used. METHOD METHOD Model 1 is try1-opt2, the automatic prediction, last insertion 1wdjA. METHOD METHOD Model 2 is try4-opt2, last insertion was 1wpuA. METHOD METHOD Model 3 is try6-opt2, last insertion was 1f2tB. METHOD METHOD Model 4 is try8-opt2, last insertion was 1wdjA. METHOD METHOD Model 5 is try3-opt2, last insertion was 1sqlA. METHOD REMARK 6 REMARK 6 T0319 model 1 Thu Jul 13 18:28:33 2006 MODEL 1 PARENT 1rly_A 1yk4_A 1vq0_A 1iro 1zin REMARK 7 REMARK 7 ALLPARENTS 1rly_A 1yk4_A 1vq0_A 1iro 1zin 1woy_A 1dx8_A REMARK 7 ALLPARENTS 1rb9 1rdg 1weo_A 1dl6_A 1brf_A 1wdj_A 1fp1_D REMARK 7 ALLPARENTS 2cc0_A 1w2l_A 1r5t_A 1y2q_A 1f2t_B 1jtk_A 1uwz_A REMARK 7 ALLPARENTS 2f2e_A 1kll_A 1o8x_A 1oni_A 1ir2_1 1i5g_A 1pf5_A REMARK 7 ALLPARENTS 1qah_A 1ewx_A 1wn5_A 1qk8_A 1vmf_A 1fjg_I 2anx_A REMARK 7 ALLPARENTS 1fjg_K 1f2t_B 1ewx_A 1srv_A 1y2q_A 1o8x_A 1qk8_A REMARK 7 ALLPARENTS 1i5g_A 1jke_A 1wpu_A 1pc6_A 1j7g_A 1sql_A 2a2l_A REMARK 7 ALLPARENTS 1f4p_A 1nme_A 1vmf_A 1em8_A 2fy6_A 1k2x_B 1th8_A ATOM 1 N MET 1 -1.368 11.627 22.156 1.00 0.00 ATOM 2 CA MET 1 -1.808 11.004 20.862 1.00 0.00 ATOM 3 CB MET 1 -0.987 11.673 19.725 1.00 0.00 ATOM 4 CG MET 1 -1.176 13.172 19.588 1.00 0.00 ATOM 5 SD MET 1 -2.889 13.596 19.282 1.00 0.00 ATOM 6 CE MET 1 -3.108 12.982 17.634 1.00 0.00 ATOM 7 O MET 1 -2.147 8.892 19.791 1.00 0.00 ATOM 8 C MET 1 -1.713 9.482 20.786 1.00 0.00 ATOM 9 N LYS 2 -1.156 8.851 21.832 1.00 0.00 ATOM 10 CA LYS 2 -1.037 7.398 21.885 1.00 0.00 ATOM 11 CB LYS 2 -0.149 6.914 22.933 1.00 0.00 ATOM 12 CG LYS 2 -0.537 7.184 24.368 1.00 0.00 ATOM 13 CD LYS 2 0.694 6.716 25.162 1.00 0.00 ATOM 14 CE LYS 2 0.305 5.743 26.265 1.00 0.00 ATOM 15 NZ LYS 2 0.520 6.478 27.538 1.00 0.00 ATOM 16 O LYS 2 -2.602 5.620 21.488 1.00 0.00 ATOM 17 C LYS 2 -2.408 6.734 21.974 1.00 0.00 ATOM 18 N PHE 3 -3.387 7.468 22.671 1.00 0.00 ATOM 19 CA PHE 3 -4.738 6.936 22.816 1.00 0.00 ATOM 20 CB PHE 3 -5.652 7.765 23.718 1.00 0.00 ATOM 21 CG PHE 3 -6.069 9.102 23.149 1.00 0.00 ATOM 22 CD1 PHE 3 -7.181 9.208 22.307 1.00 0.00 ATOM 23 CD2 PHE 3 -5.373 10.264 23.487 1.00 0.00 ATOM 24 CE1 PHE 3 -7.572 10.449 21.781 1.00 0.00 ATOM 25 CE2 PHE 3 -5.764 11.518 22.974 1.00 0.00 ATOM 26 CZ PHE 3 -6.861 11.607 22.118 1.00 0.00 ATOM 27 O PHE 3 -6.166 5.722 21.316 1.00 0.00 ATOM 28 C PHE 3 -5.357 6.639 21.455 1.00 0.00 ATOM 29 N LEU 4 -4.978 7.414 20.451 1.00 0.00 ATOM 30 CA LEU 4 -5.485 7.249 19.091 1.00 0.00 ATOM 31 CB LEU 4 -5.133 8.481 18.242 1.00 0.00 ATOM 32 CG LEU 4 -5.777 9.819 18.645 1.00 0.00 ATOM 33 CD1 LEU 4 -5.315 10.913 17.714 1.00 0.00 ATOM 34 CD2 LEU 4 -7.300 9.712 18.634 1.00 0.00 ATOM 35 O LEU 4 -5.767 5.289 17.736 1.00 0.00 ATOM 36 C LEU 4 -5.003 5.952 18.441 1.00 0.00 ATOM 37 N THR 5 -3.726 5.613 18.690 1.00 0.00 ATOM 38 CA THR 5 -3.198 4.371 18.111 1.00 0.00 ATOM 39 CB THR 5 -1.682 4.242 18.376 1.00 0.00 ATOM 40 CG2 THR 5 -1.088 3.019 17.695 1.00 0.00 ATOM 41 OG1 THR 5 -1.064 5.437 17.852 1.00 0.00 ATOM 42 O THR 5 -4.167 2.164 17.910 1.00 0.00 ATOM 43 C THR 5 -3.921 3.140 18.643 1.00 0.00 ATOM 44 N THR 6 -4.267 3.139 19.924 1.00 0.00 ATOM 45 CA THR 6 -4.995 1.999 20.487 1.00 0.00 ATOM 46 CB THR 6 -5.112 2.157 22.004 1.00 0.00 ATOM 47 CG2 THR 6 -5.880 1.011 22.582 1.00 0.00 ATOM 48 OG1 THR 6 -3.788 2.177 22.590 1.00 0.00 ATOM 49 O THR 6 -6.668 0.711 19.378 1.00 0.00 ATOM 50 C THR 6 -6.312 1.829 19.759 1.00 0.00 ATOM 51 N ASN 7 -7.094 2.904 19.522 1.00 0.00 ATOM 52 CA ASN 7 -8.387 2.800 18.851 1.00 0.00 ATOM 53 CB ASN 7 -9.112 4.133 18.924 1.00 0.00 ATOM 54 CG ASN 7 -9.710 4.450 20.296 1.00 0.00 ATOM 55 ND2 ASN 7 -10.325 5.618 20.372 1.00 0.00 ATOM 56 OD1 ASN 7 -9.666 3.676 21.233 1.00 0.00 ATOM 57 O ASN 7 -8.956 1.498 16.919 1.00 0.00 ATOM 58 C ASN 7 -8.218 2.362 17.397 1.00 0.00 ATOM 59 N PHE 8 -7.270 2.950 16.709 1.00 0.00 ATOM 60 CA PHE 8 -7.020 2.633 15.294 1.00 0.00 ATOM 61 CB PHE 8 -5.776 3.252 14.783 1.00 0.00 ATOM 62 CG PHE 8 -5.479 2.904 13.354 1.00 0.00 ATOM 63 CD1 PHE 8 -6.167 3.524 12.318 1.00 0.00 ATOM 64 CD2 PHE 8 -4.508 1.960 13.042 1.00 0.00 ATOM 65 CE1 PHE 8 -5.894 3.206 10.988 1.00 0.00 ATOM 66 CE2 PHE 8 -4.228 1.634 11.716 1.00 0.00 ATOM 67 CZ PHE 8 -4.923 2.261 10.687 1.00 0.00 ATOM 68 O PHE 8 -7.339 0.509 14.216 1.00 0.00 ATOM 69 C PHE 8 -6.738 1.145 15.090 1.00 0.00 ATOM 70 N LEU 9 -5.830 0.581 15.901 1.00 0.00 ATOM 71 CA LEU 9 -5.491 -0.833 15.798 1.00 0.00 ATOM 72 CB LEU 9 -4.298 -1.140 16.723 1.00 0.00 ATOM 73 CG LEU 9 -3.839 -2.605 16.758 1.00 0.00 ATOM 74 CD1 LEU 9 -3.428 -3.113 15.383 1.00 0.00 ATOM 75 CD2 LEU 9 -2.665 -2.736 17.728 1.00 0.00 ATOM 76 O LEU 9 -6.926 -2.693 15.322 1.00 0.00 ATOM 77 C LEU 9 -6.700 -1.731 16.058 1.00 0.00 ATOM 78 N LYS 10 -7.478 -1.398 17.084 1.00 0.00 ATOM 79 CA LYS 10 -8.667 -2.179 17.415 1.00 0.00 ATOM 80 CB LYS 10 -9.377 -1.582 18.632 1.00 0.00 ATOM 81 CG LYS 10 -10.606 -2.360 19.077 1.00 0.00 ATOM 82 CD LYS 10 -11.215 -1.759 20.333 1.00 0.00 ATOM 83 CE LYS 10 -12.458 -2.519 20.761 1.00 0.00 ATOM 84 NZ LYS 10 -13.076 -1.932 21.983 1.00 0.00 ATOM 85 O LYS 10 -10.244 -3.227 15.931 1.00 0.00 ATOM 86 C LYS 10 -9.657 -2.187 16.250 1.00 0.00 ATOM 87 N CYS 11 -9.825 -1.033 15.604 1.00 0.00 ATOM 88 CA CYS 11 -10.737 -0.910 14.471 1.00 0.00 ATOM 89 CB CYS 11 -10.899 0.556 14.066 1.00 0.00 ATOM 90 SG CYS 11 -11.818 1.562 15.255 1.00 0.00 ATOM 91 O CYS 11 -10.987 -2.315 12.537 1.00 0.00 ATOM 92 C CYS 11 -10.210 -1.696 13.272 1.00 0.00 ATOM 93 N SER 12 -8.896 -1.674 13.040 1.00 0.00 ATOM 94 CA SER 12 -8.308 -2.402 11.921 1.00 0.00 ATOM 95 CB SER 12 -6.823 -2.059 11.783 1.00 0.00 ATOM 96 OG SER 12 -6.643 -0.697 11.435 1.00 0.00 ATOM 97 O SER 12 -8.734 -4.654 11.190 1.00 0.00 ATOM 98 C SER 12 -8.446 -3.913 12.128 1.00 0.00 ATOM 99 N VAL 13 -8.261 -4.360 13.367 1.00 0.00 ATOM 100 CA VAL 13 -8.368 -5.778 13.699 1.00 0.00 ATOM 101 CB VAL 13 -7.964 -6.048 15.160 1.00 0.00 ATOM 102 CG1 VAL 13 -8.100 -7.527 15.487 1.00 0.00 ATOM 103 CG2 VAL 13 -6.518 -5.636 15.398 1.00 0.00 ATOM 104 O VAL 13 -10.294 -7.022 12.855 1.00 0.00 ATOM 105 C VAL 13 -9.885 -6.025 13.468 1.00 0.00 ATOM 106 N LYS 14 -10.877 -5.143 13.894 1.00 0.00 ATOM 107 CA LYS 14 -12.356 -5.408 13.655 1.00 0.00 ATOM 108 CB LYS 14 -13.278 -4.463 14.428 1.00 0.00 ATOM 109 CG LYS 14 -14.747 -4.850 14.377 1.00 0.00 ATOM 110 CD LYS 14 -15.594 -3.912 15.222 1.00 0.00 ATOM 111 CE LYS 14 -17.069 -4.269 15.132 1.00 0.00 ATOM 112 NZ LYS 14 -17.914 -3.344 15.936 1.00 0.00 ATOM 113 O LYS 14 -13.368 -6.399 11.710 1.00 0.00 ATOM 114 C LYS 14 -12.811 -5.411 12.189 1.00 0.00 ATOM 115 N ALA 15 -12.551 -4.316 11.477 1.00 0.00 ATOM 116 CA ALA 15 -12.951 -4.181 10.077 1.00 0.00 ATOM 117 CB ALA 15 -12.779 -2.743 9.614 1.00 0.00 ATOM 118 O ALA 15 -12.675 -5.520 8.096 1.00 0.00 ATOM 119 C ALA 15 -12.146 -5.052 9.105 1.00 0.00 ATOM 120 N CYS 16 -10.866 -5.255 9.402 1.00 0.00 ATOM 121 CA CYS 16 -9.988 -6.065 8.555 1.00 0.00 ATOM 122 CB CYS 16 -8.962 -5.180 7.846 1.00 0.00 ATOM 123 SG CYS 16 -9.679 -3.958 6.722 1.00 0.00 ATOM 124 O CYS 16 -8.106 -6.903 9.787 1.00 0.00 ATOM 125 C CYS 16 -9.300 -7.039 9.504 1.00 0.00 ATOM 126 N ASP 17 -10.034 -8.075 9.957 1.00 0.00 ATOM 127 CA ASP 17 -9.595 -9.122 10.887 1.00 0.00 ATOM 128 CB ASP 17 -10.622 -10.255 10.938 1.00 0.00 ATOM 129 CG ASP 17 -11.885 -9.862 11.677 1.00 0.00 ATOM 130 OD1 ASP 17 -11.887 -8.796 12.327 1.00 0.00 ATOM 131 OD2 ASP 17 -12.875 -10.622 11.607 1.00 0.00 ATOM 132 O ASP 17 -7.593 -10.265 11.491 1.00 0.00 ATOM 133 C ASP 17 -8.276 -9.811 10.579 1.00 0.00 ATOM 134 N THR 18 -7.918 -9.911 9.304 1.00 0.00 ATOM 135 CA THR 18 -6.664 -10.557 8.934 1.00 0.00 ATOM 136 CB THR 18 -6.477 -10.591 7.406 1.00 0.00 ATOM 137 CG2 THR 18 -7.616 -11.351 6.745 1.00 0.00 ATOM 138 OG1 THR 18 -6.456 -9.252 6.893 1.00 0.00 ATOM 139 O THR 18 -4.362 -10.418 9.605 1.00 0.00 ATOM 140 C THR 18 -5.444 -9.839 9.514 1.00 0.00 ATOM 141 N SER 19 -5.673 -8.529 9.929 1.00 0.00 ATOM 142 CA SER 19 -4.585 -7.752 10.512 1.00 0.00 ATOM 143 CB SER 19 -5.003 -6.292 10.689 1.00 0.00 ATOM 144 OG SER 19 -6.030 -6.169 11.657 1.00 0.00 ATOM 145 O SER 19 -3.112 -7.984 12.414 1.00 0.00 ATOM 146 C SER 19 -4.179 -8.307 11.885 1.00 0.00 ATOM 147 N ASN 20 -5.011 -9.183 12.437 1.00 0.00 ATOM 148 CA ASN 20 -4.734 -9.809 13.728 1.00 0.00 ATOM 149 CB ASN 20 -5.803 -10.989 14.003 1.00 0.00 ATOM 150 CG ASN 20 -5.987 -11.405 15.456 1.00 0.00 ATOM 151 ND2 ASN 20 -6.204 -12.697 15.670 1.00 0.00 ATOM 152 OD1 ASN 20 -5.938 -10.585 16.362 1.00 0.00 ATOM 153 O ASN 20 -2.943 -11.155 14.621 1.00 0.00 ATOM 154 C ASN 20 -3.555 -10.784 13.615 1.00 0.00 ATOM 155 N ASP 21 -3.231 -11.163 12.381 1.00 0.00 ATOM 156 CA ASP 21 -2.149 -12.097 12.064 1.00 0.00 ATOM 157 CB ASP 21 -1.504 -11.757 10.732 1.00 0.00 ATOM 158 CG ASP 21 -1.615 -10.293 10.353 1.00 0.00 ATOM 159 OD1 ASP 21 -1.403 -9.429 11.234 1.00 0.00 ATOM 160 OD2 ASP 21 -1.913 -10.010 9.170 1.00 0.00 ATOM 161 O ASP 21 -0.022 -12.637 12.964 1.00 0.00 ATOM 162 C ASP 21 -0.820 -11.768 12.688 1.00 0.00 ATOM 163 N ASN 22 -0.498 -10.550 12.960 1.00 0.00 ATOM 164 CA ASN 22 0.798 -10.215 13.572 1.00 0.00 ATOM 165 CB ASN 22 1.324 -8.921 12.949 1.00 0.00 ATOM 166 CG ASN 22 1.678 -9.081 11.484 1.00 0.00 ATOM 167 ND2 ASN 22 1.014 -8.314 10.628 1.00 0.00 ATOM 168 OD1 ASN 22 2.539 -9.886 11.128 1.00 0.00 ATOM 169 O ASN 22 1.831 -9.742 15.668 1.00 0.00 ATOM 170 C ASN 22 0.780 -9.974 15.072 1.00 0.00 ATOM 171 N PHE 23 -0.520 -10.113 15.656 1.00 0.00 ATOM 172 CA PHE 23 -0.408 -9.789 17.071 1.00 0.00 ATOM 173 CB PHE 23 -1.245 -8.452 17.466 1.00 0.00 ATOM 174 CG PHE 23 -1.264 -7.314 16.496 1.00 0.00 ATOM 175 CD1 PHE 23 -2.139 -7.294 15.431 1.00 0.00 ATOM 176 CD2 PHE 23 -0.398 -6.260 16.682 1.00 0.00 ATOM 177 CE1 PHE 23 -2.141 -6.214 14.540 1.00 0.00 ATOM 178 CE2 PHE 23 -0.391 -5.181 15.786 1.00 0.00 ATOM 179 CZ PHE 23 -1.260 -5.172 14.741 1.00 0.00 ATOM 180 O PHE 23 -1.276 -10.691 19.122 1.00 0.00 ATOM 181 C PHE 23 -0.720 -10.922 18.047 1.00 0.00 ATOM 182 N PRO 24 -0.297 -12.134 17.704 1.00 0.00 ATOM 183 CA PRO 24 -0.538 -13.281 18.561 1.00 0.00 ATOM 184 CB PRO 24 0.080 -14.452 17.793 1.00 0.00 ATOM 185 CG PRO 24 0.020 -14.034 16.363 1.00 0.00 ATOM 186 CD PRO 24 0.283 -12.554 16.349 1.00 0.00 ATOM 187 O PRO 24 -0.484 -13.581 20.918 1.00 0.00 ATOM 188 C PRO 24 0.094 -13.094 19.943 1.00 0.00 ATOM 189 N LEU 25 1.241 -12.422 20.020 1.00 0.00 ATOM 190 CA LEU 25 1.871 -12.267 21.318 1.00 0.00 ATOM 191 CB LEU 25 3.309 -11.793 21.098 1.00 0.00 ATOM 192 CG LEU 25 4.236 -12.762 20.359 1.00 0.00 ATOM 193 CD1 LEU 25 5.594 -12.125 20.114 1.00 0.00 ATOM 194 CD2 LEU 25 4.444 -14.031 21.170 1.00 0.00 ATOM 195 O LEU 25 1.147 -11.406 23.436 1.00 0.00 ATOM 196 C LEU 25 1.060 -11.333 22.210 1.00 0.00 ATOM 197 N GLN 26 0.137 -10.390 21.634 1.00 0.00 ATOM 198 CA GLN 26 -0.686 -9.447 22.384 1.00 0.00 ATOM 199 CB GLN 26 -1.610 -8.754 21.103 1.00 0.00 ATOM 200 CG GLN 26 -2.942 -9.457 21.081 1.00 0.00 ATOM 201 CD GLN 26 -3.772 -9.051 19.851 1.00 0.00 ATOM 202 OE1 GLN 26 -4.505 -9.875 19.294 1.00 0.00 ATOM 203 NE2 GLN 26 -3.629 -7.801 19.408 1.00 0.00 ATOM 204 O GLN 26 -2.185 -9.455 24.257 1.00 0.00 ATOM 205 C GLN 26 -1.668 -10.103 23.348 1.00 0.00 ATOM 206 N TYR 27 -1.928 -11.391 23.144 1.00 0.00 ATOM 207 CA TYR 27 -2.831 -12.109 24.020 1.00 0.00 ATOM 208 CB TYR 27 -2.826 -11.490 25.419 1.00 0.00 ATOM 209 CG TYR 27 -1.504 -11.623 26.142 1.00 0.00 ATOM 210 CD1 TYR 27 -0.595 -10.573 26.159 1.00 0.00 ATOM 211 CD2 TYR 27 -1.170 -12.796 26.803 1.00 0.00 ATOM 212 CE1 TYR 27 0.615 -10.684 26.817 1.00 0.00 ATOM 213 CE2 TYR 27 0.036 -12.926 27.467 1.00 0.00 ATOM 214 CZ TYR 27 0.930 -11.856 27.469 1.00 0.00 ATOM 215 OH TYR 27 2.135 -11.969 28.124 1.00 0.00 ATOM 216 O TYR 27 -4.607 -12.360 22.425 1.00 0.00 ATOM 217 C TYR 27 -4.286 -12.103 23.586 1.00 0.00 ATOM 218 N ASP 28 -5.165 -11.799 24.539 1.00 0.00 ATOM 219 CA ASP 28 -6.603 -11.789 24.279 1.00 0.00 ATOM 220 CB ASP 28 -7.377 -11.887 25.596 1.00 0.00 ATOM 221 CG ASP 28 -7.257 -13.253 26.242 1.00 0.00 ATOM 222 OD1 ASP 28 -6.823 -14.200 25.553 1.00 0.00 ATOM 223 OD2 ASP 28 -7.597 -13.377 27.437 1.00 0.00 ATOM 224 O ASP 28 -8.271 -10.426 23.287 1.00 0.00 ATOM 225 C ASP 28 -7.098 -10.541 23.561 1.00 0.00 ATOM 226 N GLY 29 -6.227 -9.601 23.269 1.00 0.00 ATOM 227 CA GLY 29 -6.597 -8.378 22.611 1.00 0.00 ATOM 228 O GLY 29 -7.886 -6.450 22.983 1.00 0.00 ATOM 229 C GLY 29 -7.329 -7.394 23.493 1.00 0.00 ATOM 230 N SER 30 -7.324 -7.616 24.813 1.00 0.00 ATOM 231 CA SER 30 -7.972 -6.702 25.742 1.00 0.00 ATOM 232 CB SER 30 -8.103 -7.351 27.121 1.00 0.00 ATOM 233 OG SER 30 -6.834 -7.511 27.731 1.00 0.00 ATOM 234 O SER 30 -6.181 -5.183 25.259 1.00 0.00 ATOM 235 C SER 30 -7.256 -5.358 25.827 1.00 0.00 ATOM 236 N LYS 31 -7.844 -4.424 26.536 1.00 0.00 ATOM 237 CA LYS 31 -7.213 -3.117 26.696 1.00 0.00 ATOM 238 CB LYS 31 -8.084 -2.250 27.607 1.00 0.00 ATOM 239 CG LYS 31 -7.555 -0.840 27.814 1.00 0.00 ATOM 240 CD LYS 31 -8.499 -0.016 28.675 1.00 0.00 ATOM 241 CE LYS 31 -7.946 1.377 28.924 1.00 0.00 ATOM 242 NZ LYS 31 -8.872 2.203 29.749 1.00 0.00 ATOM 243 O LYS 31 -4.919 -2.481 26.995 1.00 0.00 ATOM 244 C LYS 31 -5.845 -3.204 27.369 1.00 0.00 ATOM 245 N CYS 32 -5.542 -4.075 28.433 1.00 0.00 ATOM 246 CA CYS 32 -4.286 -4.175 29.169 1.00 0.00 ATOM 247 CB CYS 32 -4.395 -5.106 30.378 1.00 0.00 ATOM 248 SG CYS 32 -5.424 -4.467 31.721 1.00 0.00 ATOM 249 O CYS 32 -2.095 -4.101 28.191 1.00 0.00 ATOM 250 C CYS 32 -3.165 -4.708 28.281 1.00 0.00 ATOM 251 N GLN 33 -3.436 -5.819 27.590 1.00 0.00 ATOM 252 CA GLN 33 -2.444 -6.413 26.714 1.00 0.00 ATOM 253 CB GLN 33 -3.434 -7.609 25.979 1.00 0.00 ATOM 254 CG GLN 33 -4.585 -8.112 26.816 1.00 0.00 ATOM 255 CD GLN 33 -4.083 -8.981 27.948 1.00 0.00 ATOM 256 OE1 GLN 33 -3.190 -9.795 27.731 1.00 0.00 ATOM 257 NE2 GLN 33 -4.635 -8.812 29.154 1.00 0.00 ATOM 258 O GLN 33 -0.996 -5.304 25.169 1.00 0.00 ATOM 259 C GLN 33 -2.146 -5.454 25.570 1.00 0.00 ATOM 260 N LEU 34 -3.183 -4.799 25.054 1.00 0.00 ATOM 261 CA LEU 34 -3.000 -3.863 23.950 1.00 0.00 ATOM 262 CB LEU 34 -4.340 -3.314 23.481 1.00 0.00 ATOM 263 CG LEU 34 -4.286 -2.256 22.373 1.00 0.00 ATOM 264 CD1 LEU 34 -3.626 -2.835 21.133 1.00 0.00 ATOM 265 CD2 LEU 34 -5.695 -1.783 22.059 1.00 0.00 ATOM 266 O LEU 34 -1.248 -2.254 23.690 1.00 0.00 ATOM 267 C LEU 34 -2.130 -2.710 24.415 1.00 0.00 ATOM 268 N VAL 35 -2.427 -2.059 25.615 1.00 0.00 ATOM 269 CA VAL 35 -1.634 -0.967 26.175 1.00 0.00 ATOM 270 CB VAL 35 -2.190 -0.504 27.534 1.00 0.00 ATOM 271 CG1 VAL 35 -1.250 0.502 28.179 1.00 0.00 ATOM 272 CG2 VAL 35 -3.550 0.155 27.357 1.00 0.00 ATOM 273 O VAL 35 0.732 -0.577 26.234 1.00 0.00 ATOM 274 C VAL 35 -0.178 -1.385 26.383 1.00 0.00 ATOM 275 N GLN 36 0.026 -2.676 26.751 1.00 0.00 ATOM 276 CA GLN 36 1.375 -3.188 26.980 1.00 0.00 ATOM 277 CB GLN 36 1.340 -4.338 27.988 1.00 0.00 ATOM 278 CG GLN 36 0.816 -3.948 29.360 1.00 0.00 ATOM 279 CD GLN 36 0.765 -5.120 30.319 1.00 0.00 ATOM 280 OE1 GLN 36 1.180 -6.229 29.983 1.00 0.00 ATOM 281 NE2 GLN 36 0.254 -4.877 31.521 1.00 0.00 ATOM 282 O GLN 36 3.246 -4.047 25.734 1.00 0.00 ATOM 283 C GLN 36 2.054 -3.721 25.715 1.00 0.00 ATOM 284 N ASP 37 1.306 -3.813 24.622 1.00 0.00 ATOM 285 CA ASP 37 1.837 -4.342 23.369 1.00 0.00 ATOM 286 CB ASP 37 0.631 -4.937 22.567 1.00 0.00 ATOM 287 CG ASP 37 1.111 -5.695 21.338 1.00 0.00 ATOM 288 OD1 ASP 37 1.370 -5.068 20.297 1.00 0.00 ATOM 289 OD2 ASP 37 1.265 -6.934 21.399 1.00 0.00 ATOM 290 O ASP 37 2.307 -2.367 22.076 1.00 0.00 ATOM 291 C ASP 37 2.757 -3.378 22.617 1.00 0.00 ATOM 292 N GLU 38 4.152 -3.681 22.649 1.00 0.00 ATOM 293 CA GLU 38 5.139 -2.853 21.964 1.00 0.00 ATOM 294 CB GLU 38 6.529 -3.484 22.060 1.00 0.00 ATOM 295 CG GLU 38 7.132 -3.449 23.455 1.00 0.00 ATOM 296 CD GLU 38 8.466 -4.164 23.531 1.00 0.00 ATOM 297 OE1 GLU 38 8.890 -4.742 22.510 1.00 0.00 ATOM 298 OE2 GLU 38 9.088 -4.146 24.615 1.00 0.00 ATOM 299 O GLU 38 5.135 -1.604 19.919 1.00 0.00 ATOM 300 C GLU 38 4.845 -2.658 20.479 1.00 0.00 ATOM 301 N SER 39 4.275 -3.670 19.835 1.00 0.00 ATOM 302 CA SER 39 3.967 -3.557 18.416 1.00 0.00 ATOM 303 CB SER 39 3.540 -4.914 17.851 1.00 0.00 ATOM 304 OG SER 39 4.608 -5.845 17.897 1.00 0.00 ATOM 305 O SER 39 2.907 -1.810 17.184 1.00 0.00 ATOM 306 C SER 39 2.903 -2.509 18.188 1.00 0.00 ATOM 307 N ILE 40 1.942 -2.435 19.116 1.00 0.00 ATOM 308 CA ILE 40 0.882 -1.458 18.982 1.00 0.00 ATOM 309 CB ILE 40 -0.247 -1.680 19.974 1.00 0.00 ATOM 310 CG1 ILE 40 -0.890 -3.023 19.650 1.00 0.00 ATOM 311 CG2 ILE 40 -1.284 -0.556 19.914 1.00 0.00 ATOM 312 CD1 ILE 40 -1.893 -3.483 20.668 1.00 0.00 ATOM 313 O ILE 40 1.099 0.837 18.307 1.00 0.00 ATOM 314 C ILE 40 1.436 -0.040 19.103 1.00 0.00 ATOM 315 N GLU 41 2.308 0.167 20.086 1.00 0.00 ATOM 316 CA GLU 41 2.926 1.469 20.297 1.00 0.00 ATOM 317 CB GLU 41 3.884 1.420 21.489 1.00 0.00 ATOM 318 CG GLU 41 3.191 1.291 22.837 1.00 0.00 ATOM 319 CD GLU 41 4.171 1.122 23.982 1.00 0.00 ATOM 320 OE1 GLU 41 5.387 1.032 23.713 1.00 0.00 ATOM 321 OE2 GLU 41 3.721 1.080 25.145 1.00 0.00 ATOM 322 O GLU 41 3.595 3.055 18.623 1.00 0.00 ATOM 323 C GLU 41 3.708 1.908 19.061 1.00 0.00 ATOM 324 N PHE 42 4.510 1.007 18.515 1.00 0.00 ATOM 325 CA PHE 42 5.300 1.317 17.326 1.00 0.00 ATOM 326 CB PHE 42 6.110 0.095 16.886 1.00 0.00 ATOM 327 CG PHE 42 7.215 -0.271 17.835 1.00 0.00 ATOM 328 CD1 PHE 42 7.619 0.608 18.825 1.00 0.00 ATOM 329 CD2 PHE 42 7.852 -1.497 17.739 1.00 0.00 ATOM 330 CE1 PHE 42 8.635 0.270 19.698 1.00 0.00 ATOM 331 CE2 PHE 42 8.869 -1.834 18.611 1.00 0.00 ATOM 332 CZ PHE 42 9.261 -0.957 19.588 1.00 0.00 ATOM 333 O PHE 42 4.658 2.756 15.510 1.00 0.00 ATOM 334 C PHE 42 4.403 1.742 16.165 1.00 0.00 ATOM 335 N ASN 43 3.350 1.040 15.889 1.00 0.00 ATOM 336 CA ASN 43 2.380 1.292 14.808 1.00 0.00 ATOM 337 CB ASN 43 1.614 2.590 15.068 1.00 0.00 ATOM 338 CG ASN 43 0.384 2.726 14.190 1.00 0.00 ATOM 339 ND2 ASN 43 -0.051 3.962 13.973 1.00 0.00 ATOM 340 OD1 ASN 43 -0.164 1.732 13.716 1.00 0.00 ATOM 341 O ASN 43 3.153 2.490 12.822 1.00 0.00 ATOM 342 C ASN 43 3.118 1.421 13.459 1.00 0.00 ATOM 343 N PRO 44 3.782 0.350 13.058 1.00 0.00 ATOM 344 CA PRO 44 4.713 0.479 11.924 1.00 0.00 ATOM 345 CB PRO 44 5.301 -0.925 11.762 1.00 0.00 ATOM 346 CG PRO 44 5.173 -1.541 13.115 1.00 0.00 ATOM 347 CD PRO 44 3.874 -1.040 13.680 1.00 0.00 ATOM 348 O PRO 44 2.956 0.366 10.284 1.00 0.00 ATOM 349 C PRO 44 4.073 0.891 10.610 1.00 0.00 ATOM 350 N GLU 45 4.758 1.764 9.882 1.00 0.00 ATOM 351 CA GLU 45 4.394 2.067 8.506 1.00 0.00 ATOM 352 CB GLU 45 5.309 3.149 7.931 1.00 0.00 ATOM 353 CG GLU 45 5.143 4.514 8.580 1.00 0.00 ATOM 354 CD GLU 45 6.067 5.558 7.986 1.00 0.00 ATOM 355 OE1 GLU 45 7.285 5.294 7.898 1.00 0.00 ATOM 356 OE2 GLU 45 5.573 6.642 7.608 1.00 0.00 ATOM 357 O GLU 45 3.640 0.542 6.799 1.00 0.00 ATOM 358 C GLU 45 4.506 0.806 7.636 1.00 0.00 ATOM 359 N PHE 46 5.549 0.013 7.867 1.00 0.00 ATOM 360 CA PHE 46 5.783 -1.214 7.102 1.00 0.00 ATOM 361 CB PHE 46 7.153 -1.783 7.436 1.00 0.00 ATOM 362 CG PHE 46 7.420 -3.148 6.840 1.00 0.00 ATOM 363 CD1 PHE 46 7.973 -3.305 5.598 1.00 0.00 ATOM 364 CD2 PHE 46 7.195 -4.288 7.559 1.00 0.00 ATOM 365 CE1 PHE 46 8.256 -4.585 5.107 1.00 0.00 ATOM 366 CE2 PHE 46 7.407 -5.530 7.058 1.00 0.00 ATOM 367 CZ PHE 46 7.928 -5.637 5.817 1.00 0.00 ATOM 368 O PHE 46 4.058 -2.689 6.315 1.00 0.00 ATOM 369 C PHE 46 4.594 -2.155 7.284 1.00 0.00 ATOM 370 N LEU 47 4.192 -2.369 8.528 1.00 0.00 ATOM 371 CA LEU 47 3.075 -3.261 8.838 1.00 0.00 ATOM 372 CB LEU 47 2.940 -3.416 10.365 1.00 0.00 ATOM 373 CG LEU 47 4.102 -4.120 11.072 1.00 0.00 ATOM 374 CD1 LEU 47 3.875 -4.095 12.576 1.00 0.00 ATOM 375 CD2 LEU 47 4.213 -5.557 10.575 1.00 0.00 ATOM 376 O LEU 47 1.012 -3.492 7.629 1.00 0.00 ATOM 377 C LEU 47 1.766 -2.740 8.248 1.00 0.00 ATOM 378 N LEU 48 1.502 -1.453 8.448 1.00 0.00 ATOM 379 CA LEU 48 0.268 -0.846 7.959 1.00 0.00 ATOM 380 CB LEU 48 0.241 0.648 8.284 1.00 0.00 ATOM 381 CG LEU 48 0.075 1.018 9.760 1.00 0.00 ATOM 382 CD1 LEU 48 0.256 2.516 9.962 1.00 0.00 ATOM 383 CD2 LEU 48 -1.310 0.636 10.257 1.00 0.00 ATOM 384 O LEU 48 -0.901 -1.467 5.959 1.00 0.00 ATOM 385 C LEU 48 0.123 -0.995 6.454 1.00 0.00 ATOM 386 N ASN 49 1.156 -0.594 5.727 1.00 0.00 ATOM 387 CA ASN 49 1.101 -0.669 4.276 1.00 0.00 ATOM 388 CB ASN 49 2.320 0.017 3.656 1.00 0.00 ATOM 389 CG ASN 49 2.259 1.527 3.770 1.00 0.00 ATOM 390 ND2 ASN 49 3.415 2.174 3.665 1.00 0.00 ATOM 391 OD1 ASN 49 1.186 2.103 3.949 1.00 0.00 ATOM 392 O ASN 49 0.372 -2.323 2.710 1.00 0.00 ATOM 393 C ASN 49 1.020 -2.083 3.729 1.00 0.00 ATOM 394 N ILE 50 1.651 -3.023 4.416 1.00 0.00 ATOM 395 CA ILE 50 1.587 -4.420 4.011 1.00 0.00 ATOM 396 CB ILE 50 2.530 -5.267 4.883 1.00 0.00 ATOM 397 CG1 ILE 50 3.983 -4.864 4.581 1.00 0.00 ATOM 398 CG2 ILE 50 2.325 -6.761 4.608 1.00 0.00 ATOM 399 CD1 ILE 50 5.013 -5.516 5.482 1.00 0.00 ATOM 400 O ILE 50 -0.314 -5.623 3.163 1.00 0.00 ATOM 401 C ILE 50 0.154 -4.959 4.087 1.00 0.00 ATOM 402 N VAL 51 -0.549 -4.649 5.173 1.00 0.00 ATOM 403 CA VAL 51 -1.934 -5.100 5.324 1.00 0.00 ATOM 404 CB VAL 51 -2.518 -4.680 6.685 1.00 0.00 ATOM 405 CG1 VAL 51 -4.008 -4.981 6.741 1.00 0.00 ATOM 406 CG2 VAL 51 -1.834 -5.434 7.815 1.00 0.00 ATOM 407 O VAL 51 -3.596 -5.283 3.586 1.00 0.00 ATOM 408 C VAL 51 -2.789 -4.559 4.175 1.00 0.00 ATOM 409 N ASP 52 -2.621 -3.274 3.850 1.00 0.00 ATOM 410 CA ASP 52 -3.392 -2.641 2.787 1.00 0.00 ATOM 411 CB ASP 52 -3.130 -1.135 2.741 1.00 0.00 ATOM 412 CG ASP 52 -3.741 -0.401 3.919 1.00 0.00 ATOM 413 OD1 ASP 52 -4.570 -1.006 4.631 1.00 0.00 ATOM 414 OD2 ASP 52 -3.391 0.779 4.130 1.00 0.00 ATOM 415 O ASP 52 -3.851 -2.914 0.463 1.00 0.00 ATOM 416 C ASP 52 -3.101 -3.178 1.401 1.00 0.00 ATOM 417 N ARG 53 -1.999 -3.902 1.247 1.00 0.00 ATOM 418 CA ARG 53 -1.688 -4.495 -0.044 1.00 0.00 ATOM 419 CB ARG 53 -0.492 -3.715 -0.658 1.00 0.00 ATOM 420 CG ARG 53 -0.749 -2.252 -0.948 1.00 0.00 ATOM 421 CD ARG 53 0.563 -1.497 -1.087 1.00 0.00 ATOM 422 NE ARG 53 1.439 -2.101 -2.087 1.00 0.00 ATOM 423 CZ ARG 53 1.203 -2.093 -3.395 1.00 0.00 ATOM 424 NH1 ARG 53 0.111 -1.507 -3.874 1.00 0.00 ATOM 425 NH2 ARG 53 2.057 -2.678 -4.225 1.00 0.00 ATOM 426 O ARG 53 -1.179 -6.535 -1.164 1.00 0.00 ATOM 427 C ARG 53 -1.753 -6.015 -0.207 1.00 0.00 ATOM 428 N VAL 54 -2.423 -6.682 0.696 1.00 0.00 ATOM 429 CA VAL 54 -2.500 -8.141 0.658 1.00 0.00 ATOM 430 CB VAL 54 -1.724 -8.908 1.746 1.00 0.00 ATOM 431 CG1 VAL 54 -0.232 -8.638 1.625 1.00 0.00 ATOM 432 CG2 VAL 54 -2.180 -8.475 3.130 1.00 0.00 ATOM 433 O VAL 54 -4.884 -7.968 1.027 1.00 0.00 ATOM 434 C VAL 54 -3.922 -8.697 0.777 1.00 0.00 ATOM 435 N ASP 55 -4.028 -10.008 0.585 1.00 0.00 ATOM 436 CA ASP 55 -5.307 -10.703 0.655 1.00 0.00 ATOM 437 CB ASP 55 -5.548 -11.513 -0.622 1.00 0.00 ATOM 438 CG ASP 55 -5.595 -10.644 -1.862 1.00 0.00 ATOM 439 OD1 ASP 55 -6.421 -9.707 -1.899 1.00 0.00 ATOM 440 OD2 ASP 55 -4.810 -10.899 -2.799 1.00 0.00 ATOM 441 O ASP 55 -6.440 -11.847 2.422 1.00 0.00 ATOM 442 C ASP 55 -5.378 -11.669 1.827 1.00 0.00 ATOM 443 N TRP 56 -4.228 -12.300 2.143 1.00 0.00 ATOM 444 CA TRP 56 -4.222 -13.259 3.240 1.00 0.00 ATOM 445 CB TRP 56 -3.967 -14.674 2.714 1.00 0.00 ATOM 446 CG TRP 56 -5.064 -15.193 1.836 1.00 0.00 ATOM 447 CD1 TRP 56 -5.192 -15.011 0.490 1.00 0.00 ATOM 448 CD2 TRP 56 -6.190 -15.981 2.245 1.00 0.00 ATOM 449 CE2 TRP 56 -6.957 -16.239 1.091 1.00 0.00 ATOM 450 CE3 TRP 56 -6.623 -16.492 3.470 1.00 0.00 ATOM 451 NE1 TRP 56 -6.327 -15.636 0.031 1.00 0.00 ATOM 452 CZ2 TRP 56 -8.132 -16.988 1.129 1.00 0.00 ATOM 453 CZ3 TRP 56 -7.790 -17.233 3.503 1.00 0.00 ATOM 454 CH2 TRP 56 -8.532 -17.475 2.343 1.00 0.00 ATOM 455 O TRP 56 -2.034 -12.509 3.890 1.00 0.00 ATOM 456 C TRP 56 -3.137 -12.932 4.254 1.00 0.00 ATOM 457 N PRO 57 -3.470 -13.153 5.530 1.00 0.00 ATOM 458 CA PRO 57 -2.507 -12.897 6.604 1.00 0.00 ATOM 459 CB PRO 57 -3.265 -13.275 7.879 1.00 0.00 ATOM 460 CG PRO 57 -4.702 -13.083 7.529 1.00 0.00 ATOM 461 CD PRO 57 -4.843 -13.508 6.095 1.00 0.00 ATOM 462 O PRO 57 -0.140 -13.319 6.767 1.00 0.00 ATOM 463 C PRO 57 -1.239 -13.744 6.422 1.00 0.00 ATOM 464 N ALA 58 -1.403 -14.950 5.883 1.00 0.00 ATOM 465 CA ALA 58 -0.261 -15.837 5.650 1.00 0.00 ATOM 466 CB ALA 58 -0.735 -17.182 5.121 1.00 0.00 ATOM 467 O ALA 58 1.897 -15.167 4.818 1.00 0.00 ATOM 468 C ALA 58 0.677 -15.201 4.630 1.00 0.00 ATOM 469 N VAL 59 0.105 -14.701 3.539 1.00 0.00 ATOM 470 CA VAL 59 0.891 -14.057 2.501 1.00 0.00 ATOM 471 CB VAL 59 0.055 -13.834 1.223 1.00 0.00 ATOM 472 CG1 VAL 59 0.874 -13.065 0.199 1.00 0.00 ATOM 473 CG2 VAL 59 -0.379 -15.170 0.645 1.00 0.00 ATOM 474 O VAL 59 2.587 -12.454 2.833 1.00 0.00 ATOM 475 C VAL 59 1.488 -12.734 3.089 1.00 0.00 ATOM 476 N LEU 60 0.677 -11.933 3.777 1.00 0.00 ATOM 477 CA LEU 60 1.162 -10.661 4.325 1.00 0.00 ATOM 478 CB LEU 60 0.066 -9.979 5.148 1.00 0.00 ATOM 479 CG LEU 60 0.448 -8.659 5.822 1.00 0.00 ATOM 480 CD1 LEU 60 0.831 -7.616 4.784 1.00 0.00 ATOM 481 CD2 LEU 60 -0.716 -8.115 6.635 1.00 0.00 ATOM 482 O LEU 60 3.342 -10.171 5.259 1.00 0.00 ATOM 483 C LEU 60 2.340 -10.908 5.269 1.00 0.00 ATOM 484 N THR 61 2.218 -11.955 6.112 1.00 0.00 ATOM 485 CA THR 61 3.281 -12.295 7.052 1.00 0.00 ATOM 486 CB THR 61 2.891 -13.547 7.859 1.00 0.00 ATOM 487 CG2 THR 61 4.011 -13.936 8.812 1.00 0.00 ATOM 488 OG1 THR 61 1.706 -13.279 8.620 1.00 0.00 ATOM 489 O THR 61 5.667 -12.158 6.730 1.00 0.00 ATOM 490 C THR 61 4.588 -12.582 6.309 1.00 0.00 ATOM 491 N VAL 62 4.476 -13.309 5.205 1.00 0.00 ATOM 492 CA VAL 62 5.638 -13.647 4.388 1.00 0.00 ATOM 493 CB VAL 62 5.266 -14.622 3.255 1.00 0.00 ATOM 494 CG1 VAL 62 6.445 -14.820 2.314 1.00 0.00 ATOM 495 CG2 VAL 62 4.874 -15.977 3.826 1.00 0.00 ATOM 496 O VAL 62 7.463 -12.215 3.722 1.00 0.00 ATOM 497 C VAL 62 6.241 -12.389 3.748 1.00 0.00 ATOM 498 N ALA 63 5.380 -11.508 3.245 1.00 0.00 ATOM 499 CA ALA 63 5.835 -10.271 2.621 1.00 0.00 ATOM 500 CB ALA 63 4.648 -9.467 2.111 1.00 0.00 ATOM 501 O ALA 63 7.683 -8.918 3.335 1.00 0.00 ATOM 502 C ALA 63 6.598 -9.433 3.649 1.00 0.00 ATOM 503 N ALA 64 6.091 -9.392 4.866 1.00 0.00 ATOM 504 CA ALA 64 6.759 -8.602 5.873 1.00 0.00 ATOM 505 CB ALA 64 5.938 -8.625 7.152 1.00 0.00 ATOM 506 O ALA 64 9.133 -8.393 6.201 1.00 0.00 ATOM 507 C ALA 64 8.163 -9.147 6.177 1.00 0.00 ATOM 508 N GLU 65 8.261 -10.454 6.401 1.00 0.00 ATOM 509 CA GLU 65 9.543 -11.086 6.707 1.00 0.00 ATOM 510 CB GLU 65 9.345 -12.569 7.029 1.00 0.00 ATOM 511 CG GLU 65 8.629 -12.828 8.345 1.00 0.00 ATOM 512 CD GLU 65 8.387 -14.304 8.595 1.00 0.00 ATOM 513 OE1 GLU 65 8.744 -15.121 7.721 1.00 0.00 ATOM 514 OE2 GLU 65 7.842 -14.642 9.666 1.00 0.00 ATOM 515 O GLU 65 11.746 -11.061 5.748 1.00 0.00 ATOM 516 C GLU 65 10.532 -10.994 5.539 1.00 0.00 ATOM 517 N LEU 66 10.013 -10.840 4.323 1.00 0.00 ATOM 518 CA LEU 66 10.850 -10.719 3.128 1.00 0.00 ATOM 519 CB LEU 66 10.153 -11.351 1.920 1.00 0.00 ATOM 520 CG LEU 66 9.869 -12.852 2.010 1.00 0.00 ATOM 521 CD1 LEU 66 9.088 -13.327 0.795 1.00 0.00 ATOM 522 CD2 LEU 66 11.167 -13.642 2.080 1.00 0.00 ATOM 523 O LEU 66 12.018 -8.925 2.097 1.00 0.00 ATOM 524 C LEU 66 11.201 -9.248 2.935 1.00 0.00 ATOM 525 N GLY 67 10.563 -8.362 3.729 1.00 0.00 ATOM 526 CA GLY 67 10.807 -6.933 3.605 1.00 0.00 ATOM 527 O GLY 67 10.984 -5.426 1.764 1.00 0.00 ATOM 528 C GLY 67 10.373 -6.369 2.262 1.00 0.00 ATOM 529 N ASN 68 9.319 -6.930 1.682 1.00 0.00 ATOM 530 CA ASN 68 8.841 -6.471 0.379 1.00 0.00 ATOM 531 CB ASN 68 7.681 -7.343 -0.105 1.00 0.00 ATOM 532 CG ASN 68 8.137 -8.713 -0.568 1.00 0.00 ATOM 533 ND2 ASN 68 7.206 -9.659 -0.615 1.00 0.00 ATOM 534 OD1 ASN 68 9.309 -8.915 -0.881 1.00 0.00 ATOM 535 O ASN 68 8.593 -4.245 -0.502 1.00 0.00 ATOM 536 C ASN 68 8.359 -5.010 0.426 1.00 0.00 ATOM 537 N ASN 69 7.642 -4.636 1.448 1.00 0.00 ATOM 538 CA ASN 69 7.148 -3.287 1.551 1.00 0.00 ATOM 539 CB ASN 69 6.383 -2.999 2.777 1.00 0.00 ATOM 540 CG ASN 69 5.616 -1.701 2.659 1.00 0.00 ATOM 541 ND2 ASN 69 5.859 -0.772 3.577 1.00 0.00 ATOM 542 OD1 ASN 69 4.817 -1.532 1.734 1.00 0.00 ATOM 543 O ASN 69 8.231 -1.207 1.048 1.00 0.00 ATOM 544 C ASN 69 8.272 -2.265 1.677 1.00 0.00 ATOM 545 N ALA 70 9.280 -2.582 2.481 1.00 0.00 ATOM 546 CA ALA 70 10.405 -1.672 2.639 1.00 0.00 ATOM 547 CB ALA 70 11.390 -2.219 3.660 1.00 0.00 ATOM 548 O ALA 70 11.480 -0.447 0.861 1.00 0.00 ATOM 549 C ALA 70 11.082 -1.540 1.273 1.00 0.00 ATOM 550 N LEU 71 11.240 -2.670 0.593 1.00 0.00 ATOM 551 CA LEU 71 11.908 -2.688 -0.703 1.00 0.00 ATOM 552 CB LEU 71 11.905 -4.102 -1.288 1.00 0.00 ATOM 553 CG LEU 71 12.562 -4.268 -2.661 1.00 0.00 ATOM 554 CD1 LEU 71 14.037 -3.899 -2.599 1.00 0.00 ATOM 555 CD2 LEU 71 12.452 -5.708 -3.137 1.00 0.00 ATOM 556 O LEU 71 11.847 -0.890 -2.293 1.00 0.00 ATOM 557 C LEU 71 11.214 -1.759 -1.688 1.00 0.00 ATOM 558 N PRO 72 9.903 -1.910 -1.827 1.00 0.00 ATOM 559 CA PRO 72 9.155 -1.067 -2.746 1.00 0.00 ATOM 560 CB PRO 72 7.741 -1.671 -2.724 1.00 0.00 ATOM 561 CG PRO 72 7.912 -3.044 -2.351 1.00 0.00 ATOM 562 CD PRO 72 9.074 -3.090 -1.361 1.00 0.00 ATOM 563 O PRO 72 9.425 1.217 -3.141 1.00 0.00 ATOM 564 C PRO 72 9.241 0.400 -2.259 1.00 0.00 ATOM 565 N PRO 73 9.127 0.755 -0.907 1.00 0.00 ATOM 566 CA PRO 73 9.297 2.142 -0.432 1.00 0.00 ATOM 567 CB PRO 73 8.954 1.973 1.082 1.00 0.00 ATOM 568 CG PRO 73 7.959 0.867 1.078 1.00 0.00 ATOM 569 CD PRO 73 8.548 -0.117 0.076 1.00 0.00 ATOM 570 O PRO 73 10.782 4.002 -0.739 1.00 0.00 ATOM 571 C PRO 73 10.660 2.777 -0.707 1.00 0.00 ATOM 572 N THR 74 11.682 1.953 -0.913 1.00 0.00 ATOM 573 CA THR 74 13.013 2.485 -1.180 1.00 0.00 ATOM 574 CB THR 74 14.110 1.579 -0.590 1.00 0.00 ATOM 575 CG2 THR 74 13.956 1.468 0.919 1.00 0.00 ATOM 576 OG1 THR 74 14.013 0.270 -1.164 1.00 0.00 ATOM 577 O THR 74 14.524 2.851 -3.010 1.00 0.00 ATOM 578 C THR 74 13.361 2.639 -2.663 1.00 0.00 ATOM 579 N LYS 75 12.368 2.502 -3.538 1.00 0.00 ATOM 580 CA LYS 75 12.604 2.648 -4.971 1.00 0.00 ATOM 581 CB LYS 75 11.278 2.729 -5.729 1.00 0.00 ATOM 582 CG LYS 75 11.430 2.817 -7.238 1.00 0.00 ATOM 583 CD LYS 75 10.076 2.828 -7.930 1.00 0.00 ATOM 584 CE LYS 75 10.225 2.960 -9.436 1.00 0.00 ATOM 585 NZ LYS 75 8.908 2.936 -10.130 1.00 0.00 ATOM 586 O LYS 75 13.104 4.949 -4.688 1.00 0.00 ATOM 587 C LYS 75 13.434 3.882 -5.152 1.00 0.00 ATOM 588 N PRO 76 14.543 3.802 -5.982 1.00 0.00 ATOM 589 CA PRO 76 15.410 4.953 -6.147 1.00 0.00 ATOM 590 CB PRO 76 16.480 4.413 -7.101 1.00 0.00 ATOM 591 CG PRO 76 16.513 2.957 -6.774 1.00 0.00 ATOM 592 CD PRO 76 15.121 2.579 -6.577 1.00 0.00 ATOM 593 O PRO 76 14.608 7.140 -5.596 1.00 0.00 ATOM 594 C PRO 76 14.635 6.236 -6.433 1.00 0.00 ATOM 595 N SER 77 13.984 6.337 -7.604 1.00 0.00 ATOM 596 CA SER 77 13.249 7.588 -7.817 1.00 0.00 ATOM 597 CB SER 77 12.737 7.672 -9.257 1.00 0.00 ATOM 598 OG SER 77 11.959 8.840 -9.454 1.00 0.00 ATOM 599 O SER 77 11.180 6.739 -6.958 1.00 0.00 ATOM 600 C SER 77 12.070 7.581 -6.845 1.00 0.00 ATOM 601 N PHE 78 12.024 8.514 -5.891 1.00 0.00 ATOM 602 CA PHE 78 10.925 8.560 -4.923 1.00 0.00 ATOM 603 CB PHE 78 11.144 7.079 -4.112 1.00 0.00 ATOM 604 CG PHE 78 12.018 7.363 -2.925 1.00 0.00 ATOM 605 CD1 PHE 78 11.456 7.601 -1.672 1.00 0.00 ATOM 606 CD2 PHE 78 13.408 7.363 -3.048 1.00 0.00 ATOM 607 CE1 PHE 78 12.263 7.832 -0.559 1.00 0.00 ATOM 608 CE2 PHE 78 14.222 7.593 -1.941 1.00 0.00 ATOM 609 CZ PHE 78 13.648 7.828 -0.693 1.00 0.00 ATOM 610 O PHE 78 10.685 10.449 -3.453 1.00 0.00 ATOM 611 C PHE 78 10.235 9.831 -4.406 1.00 0.00 ATOM 612 N PRO 79 9.114 10.148 -4.866 1.00 0.00 ATOM 613 CA PRO 79 8.402 11.355 -4.438 1.00 0.00 ATOM 614 CB PRO 79 7.540 11.696 -5.662 1.00 0.00 ATOM 615 CG PRO 79 7.179 10.366 -6.186 1.00 0.00 ATOM 616 CD PRO 79 8.515 9.586 -6.090 1.00 0.00 ATOM 617 O PRO 79 7.202 10.056 -2.814 1.00 0.00 ATOM 618 C PRO 79 7.534 11.202 -3.224 1.00 0.00 ATOM 619 N SER 80 7.231 12.400 -2.563 1.00 0.00 ATOM 620 CA SER 80 6.442 12.356 -1.329 1.00 0.00 ATOM 621 CB SER 80 7.270 12.516 -0.052 1.00 0.00 ATOM 622 OG SER 80 7.957 13.755 -0.042 1.00 0.00 ATOM 623 O SER 80 5.796 14.582 -1.914 1.00 0.00 ATOM 624 C SER 80 5.445 13.505 -1.439 1.00 0.00 ATOM 625 N SER 81 4.208 13.278 -1.010 1.00 0.00 ATOM 626 CA SER 81 3.174 14.306 -1.083 1.00 0.00 ATOM 627 CB SER 81 2.162 14.011 -2.193 1.00 0.00 ATOM 628 OG SER 81 1.132 14.983 -2.217 1.00 0.00 ATOM 629 O SER 81 2.079 13.232 0.779 1.00 0.00 ATOM 630 C SER 81 2.464 14.287 0.277 1.00 0.00 ATOM 631 N ILE 82 2.314 15.447 0.890 1.00 0.00 ATOM 632 CA ILE 82 1.631 15.549 2.178 1.00 0.00 ATOM 633 CB ILE 82 1.578 17.006 2.675 1.00 0.00 ATOM 634 CG1 ILE 82 2.982 17.501 3.027 1.00 0.00 ATOM 635 CG2 ILE 82 0.703 17.115 3.915 1.00 0.00 ATOM 636 CD1 ILE 82 3.063 18.992 3.269 1.00 0.00 ATOM 637 O ILE 82 -0.339 14.446 3.016 1.00 0.00 ATOM 638 C ILE 82 0.187 15.040 2.072 1.00 0.00 ATOM 639 N GLN 83 -0.523 15.414 0.890 1.00 0.00 ATOM 640 CA GLN 83 -1.878 14.933 0.676 1.00 0.00 ATOM 641 CB GLN 83 -2.792 16.079 0.243 1.00 0.00 ATOM 642 CG GLN 83 -4.248 15.678 0.061 1.00 0.00 ATOM 643 CD GLN 83 -5.135 16.856 -0.293 1.00 0.00 ATOM 644 OE1 GLN 83 -4.658 17.979 -0.461 1.00 0.00 ATOM 645 NE2 GLN 83 -6.434 16.601 -0.408 1.00 0.00 ATOM 646 O GLN 83 -1.402 14.117 -1.520 1.00 0.00 ATOM 647 C GLN 83 -1.852 13.875 -0.408 1.00 0.00 ATOM 648 N GLU 84 -2.326 12.688 -0.068 1.00 0.00 ATOM 649 CA GLU 84 -2.314 11.611 -1.032 1.00 0.00 ATOM 650 CB GLU 84 -2.780 10.306 -0.383 1.00 0.00 ATOM 651 CG GLU 84 -2.644 9.085 -1.277 1.00 0.00 ATOM 652 CD GLU 84 -2.946 7.791 -0.547 1.00 0.00 ATOM 653 OE1 GLU 84 -2.256 7.498 0.452 1.00 0.00 ATOM 654 OE2 GLU 84 -3.873 7.071 -0.973 1.00 0.00 ATOM 655 O GLU 84 -4.450 11.854 -2.036 1.00 0.00 ATOM 656 C GLU 84 -3.239 11.802 -2.223 1.00 0.00 ATOM 657 N LEU 85 -2.605 11.998 -3.449 1.00 0.00 ATOM 658 CA LEU 85 -3.411 12.158 -4.664 1.00 0.00 ATOM 659 CB LEU 85 -2.587 12.869 -5.739 1.00 0.00 ATOM 660 CG LEU 85 -2.012 14.236 -5.359 1.00 0.00 ATOM 661 CD1 LEU 85 -1.155 14.790 -6.486 1.00 0.00 ATOM 662 CD2 LEU 85 -3.129 15.228 -5.078 1.00 0.00 ATOM 663 O LEU 85 -3.426 9.775 -4.622 1.00 0.00 ATOM 664 C LEU 85 -3.899 10.801 -5.107 1.00 0.00 ATOM 665 N THR 86 -4.757 10.894 -5.902 1.00 0.00 ATOM 666 CA THR 86 -5.280 9.669 -6.413 1.00 0.00 ATOM 667 CB THR 86 -6.418 9.885 -7.427 1.00 0.00 ATOM 668 CG2 THR 86 -7.583 10.613 -6.774 1.00 0.00 ATOM 669 OG1 THR 86 -5.938 10.670 -8.527 1.00 0.00 ATOM 670 O THR 86 -4.436 7.658 -7.269 1.00 0.00 ATOM 671 C THR 86 -4.319 8.910 -7.145 1.00 0.00 ATOM 672 N ASP 87 -3.312 9.442 -7.817 1.00 0.00 ATOM 673 CA ASP 87 -2.319 8.669 -8.613 1.00 0.00 ATOM 674 CB ASP 87 -1.763 9.499 -9.772 1.00 0.00 ATOM 675 CG ASP 87 -1.007 10.724 -9.302 1.00 0.00 ATOM 676 OD1 ASP 87 -0.895 10.918 -8.072 1.00 0.00 ATOM 677 OD2 ASP 87 -0.524 11.492 -10.162 1.00 0.00 ATOM 678 O ASP 87 -0.123 7.710 -8.348 1.00 0.00 ATOM 679 C ASP 87 -1.098 8.231 -7.793 1.00 0.00 ATOM 680 N ASP 88 -1.129 8.439 -6.478 1.00 0.00 ATOM 681 CA ASP 88 -0.000 8.041 -5.646 1.00 0.00 ATOM 682 CB ASP 88 0.408 9.183 -4.712 1.00 0.00 ATOM 683 CG ASP 88 0.918 10.395 -5.466 1.00 0.00 ATOM 684 OD1 ASP 88 1.818 10.230 -6.317 1.00 0.00 ATOM 685 OD2 ASP 88 0.422 11.510 -5.205 1.00 0.00 ATOM 686 O ASP 88 -1.371 6.709 -4.171 1.00 0.00 ATOM 687 C ASP 88 -0.291 6.825 -4.757 1.00 0.00 ATOM 688 N ASP 89 0.685 5.922 -4.660 1.00 0.00 ATOM 689 CA ASP 89 0.545 4.737 -3.816 1.00 0.00 ATOM 690 CB ASP 89 1.524 3.648 -4.256 1.00 0.00 ATOM 691 CG ASP 89 1.129 3.002 -5.570 1.00 0.00 ATOM 692 OD1 ASP 89 -0.013 3.230 -6.022 1.00 0.00 ATOM 693 OD2 ASP 89 1.960 2.269 -6.145 1.00 0.00 ATOM 694 O ASP 89 1.771 5.881 -2.114 1.00 0.00 ATOM 695 C ASP 89 0.815 5.162 -2.378 1.00 0.00 ATOM 696 N MET 90 -0.085 4.671 -1.423 1.00 0.00 ATOM 697 CA MET 90 0.062 5.014 -0.015 1.00 0.00 ATOM 698 CB MET 90 -0.941 4.196 0.802 1.00 0.00 ATOM 699 CG MET 90 -2.389 4.609 0.600 1.00 0.00 ATOM 700 SD MET 90 -3.549 3.515 1.440 1.00 0.00 ATOM 701 CE MET 90 -3.114 3.813 3.153 1.00 0.00 ATOM 702 O MET 90 1.990 5.553 1.310 1.00 0.00 ATOM 703 C MET 90 1.434 4.719 0.599 1.00 0.00 ATOM 704 N ALA 91 1.976 3.538 0.320 1.00 0.00 ATOM 705 CA ALA 91 3.252 3.134 0.887 1.00 0.00 ATOM 706 CB ALA 91 3.560 1.689 0.524 1.00 0.00 ATOM 707 O ALA 91 5.389 4.166 1.173 1.00 0.00 ATOM 708 C ALA 91 4.437 3.969 0.425 1.00 0.00 ATOM 709 N ILE 92 4.399 4.450 -0.809 1.00 0.00 ATOM 710 CA ILE 92 5.497 5.278 -1.283 1.00 0.00 ATOM 711 CB ILE 92 5.340 5.617 -2.777 1.00 0.00 ATOM 712 CG1 ILE 92 5.485 4.355 -3.630 1.00 0.00 ATOM 713 CG2 ILE 92 6.402 6.615 -3.211 1.00 0.00 ATOM 714 CD1 ILE 92 5.086 4.546 -5.076 1.00 0.00 ATOM 715 O ILE 92 6.608 7.060 -0.092 1.00 0.00 ATOM 716 C ILE 92 5.536 6.576 -0.485 1.00 0.00 ATOM 717 N LEU 93 4.374 7.131 -0.260 1.00 0.00 ATOM 718 CA LEU 93 4.271 8.369 0.475 1.00 0.00 ATOM 719 CB LEU 93 2.834 8.894 0.441 1.00 0.00 ATOM 720 CG LEU 93 2.327 9.392 -0.914 1.00 0.00 ATOM 721 CD1 LEU 93 0.843 9.713 -0.848 1.00 0.00 ATOM 722 CD2 LEU 93 3.068 10.652 -1.337 1.00 0.00 ATOM 723 O LEU 93 5.366 9.085 2.493 1.00 0.00 ATOM 724 C LEU 93 4.738 8.185 1.916 1.00 0.00 ATOM 725 N ASN 94 4.457 7.024 2.497 1.00 0.00 ATOM 726 CA ASN 94 4.836 6.747 3.884 1.00 0.00 ATOM 727 CB ASN 94 4.259 5.432 4.372 1.00 0.00 ATOM 728 CG ASN 94 2.815 5.576 4.810 1.00 0.00 ATOM 729 ND2 ASN 94 1.962 4.649 4.385 1.00 0.00 ATOM 730 OD1 ASN 94 2.471 6.515 5.535 1.00 0.00 ATOM 731 O ASN 94 6.926 7.180 4.995 1.00 0.00 ATOM 732 C ASN 94 6.346 6.656 4.031 1.00 0.00 ATOM 733 N ASP 95 6.990 6.045 3.037 1.00 0.00 ATOM 734 CA ASP 95 8.440 5.914 3.029 1.00 0.00 ATOM 735 CB ASP 95 8.891 5.017 1.875 1.00 0.00 ATOM 736 CG ASP 95 10.384 4.753 1.889 1.00 0.00 ATOM 737 OD1 ASP 95 10.873 4.161 2.874 1.00 0.00 ATOM 738 OD2 ASP 95 11.065 5.140 0.917 1.00 0.00 ATOM 739 O ASP 95 10.106 7.594 3.455 1.00 0.00 ATOM 740 C ASP 95 9.074 7.298 2.858 1.00 0.00 ATOM 741 N LEU 96 8.462 8.138 2.030 1.00 0.00 ATOM 742 CA LEU 96 8.981 9.486 1.809 1.00 0.00 ATOM 743 CB LEU 96 8.266 10.177 0.675 1.00 0.00 ATOM 744 CG LEU 96 8.966 10.127 -0.684 1.00 0.00 ATOM 745 CD1 LEU 96 10.240 10.962 -0.623 1.00 0.00 ATOM 746 CD2 LEU 96 9.281 8.691 -1.071 1.00 0.00 ATOM 747 O LEU 96 9.745 11.192 3.314 1.00 0.00 ATOM 748 C LEU 96 8.929 10.295 3.102 1.00 0.00 ATOM 749 N HIS 97 7.968 9.986 4.009 1.00 0.00 ATOM 750 CA HIS 97 7.889 10.681 5.288 1.00 0.00 ATOM 751 CB HIS 97 6.521 10.339 5.965 1.00 0.00 ATOM 752 CG HIS 97 5.368 11.246 5.596 1.00 0.00 ATOM 753 CD2 HIS 97 4.376 11.101 4.690 1.00 0.00 ATOM 754 ND1 HIS 97 5.097 12.431 6.253 1.00 0.00 ATOM 755 CE1 HIS 97 3.981 12.960 5.761 1.00 0.00 ATOM 756 NE2 HIS 97 3.531 12.163 4.814 1.00 0.00 ATOM 757 O HIS 97 9.646 11.180 6.881 1.00 0.00 ATOM 758 C HIS 97 9.115 10.327 6.153 1.00 0.00 ATOM 759 N THR 98 9.587 9.084 6.031 1.00 0.00 ATOM 760 CA THR 98 10.761 8.646 6.768 1.00 0.00 ATOM 761 CB THR 98 11.011 7.137 6.587 1.00 0.00 ATOM 762 CG2 THR 98 12.266 6.712 7.332 1.00 0.00 ATOM 763 OG1 THR 98 9.893 6.401 7.098 1.00 0.00 ATOM 764 O THR 98 12.916 9.702 7.081 1.00 0.00 ATOM 765 C THR 98 12.008 9.383 6.290 1.00 0.00 ATOM 766 N LEU 99 12.090 9.641 5.007 1.00 0.00 ATOM 767 CA LEU 99 13.201 10.391 4.424 1.00 0.00 ATOM 768 CB LEU 99 13.074 10.440 2.900 1.00 0.00 ATOM 769 CG LEU 99 14.182 11.183 2.151 1.00 0.00 ATOM 770 CD1 LEU 99 15.530 10.522 2.394 1.00 0.00 ATOM 771 CD2 LEU 99 13.914 11.182 0.654 1.00 0.00 ATOM 772 O LEU 99 14.219 12.395 5.329 1.00 0.00 ATOM 773 C LEU 99 13.181 11.830 4.987 1.00 0.00 ATOM 774 N LEU 100 11.988 12.398 5.075 1.00 0.00 ATOM 775 CA LEU 100 11.844 13.733 5.654 1.00 0.00 ATOM 776 CB LEU 100 10.372 14.149 5.683 1.00 0.00 ATOM 777 CG LEU 100 9.724 14.446 4.330 1.00 0.00 ATOM 778 CD1 LEU 100 8.226 14.658 4.485 1.00 0.00 ATOM 779 CD2 LEU 100 10.319 15.701 3.713 1.00 0.00 ATOM 780 O LEU 100 13.111 14.685 7.475 1.00 0.00 ATOM 781 C LEU 100 12.365 13.772 7.082 1.00 0.00 ATOM 782 N LEU 101 11.915 12.806 7.871 1.00 0.00 ATOM 783 CA LEU 101 12.299 12.730 9.267 1.00 0.00 ATOM 784 CB LEU 101 11.514 11.576 9.936 1.00 0.00 ATOM 785 CG LEU 101 10.041 11.882 10.280 1.00 0.00 ATOM 786 CD1 LEU 101 9.290 10.605 10.519 1.00 0.00 ATOM 787 CD2 LEU 101 9.976 12.808 11.497 1.00 0.00 ATOM 788 O LEU 101 14.380 13.097 10.373 1.00 0.00 ATOM 789 C LEU 101 13.775 12.474 9.503 1.00 0.00 ATOM 790 N GLN 102 14.361 11.566 8.734 1.00 0.00 ATOM 791 CA GLN 102 15.776 11.258 8.890 1.00 0.00 ATOM 792 CB GLN 102 16.161 10.054 8.028 1.00 0.00 ATOM 793 CG GLN 102 15.561 8.738 8.493 1.00 0.00 ATOM 794 CD GLN 102 15.942 7.575 7.600 1.00 0.00 ATOM 795 OE1 GLN 102 16.690 7.739 6.635 1.00 0.00 ATOM 796 NE2 GLN 102 15.427 6.392 7.917 1.00 0.00 ATOM 797 O GLN 102 17.794 12.571 8.816 1.00 0.00 ATOM 798 C GLN 102 16.624 12.468 8.460 1.00 0.00 ATOM 799 N THR 103 16.033 13.384 7.698 1.00 0.00 ATOM 800 CA THR 103 16.767 14.575 7.279 1.00 0.00 ATOM 801 CB THR 103 16.347 15.028 5.869 1.00 0.00 ATOM 802 CG2 THR 103 16.601 13.922 4.855 1.00 0.00 ATOM 803 OG1 THR 103 14.952 15.352 5.862 1.00 0.00 ATOM 804 O THR 103 17.107 16.846 7.919 1.00 0.00 ATOM 805 C THR 103 16.561 15.779 8.188 1.00 0.00 ATOM 806 N SER 104 15.787 15.439 9.410 1.00 0.00 ATOM 807 CA SER 104 15.638 16.502 10.392 1.00 0.00 ATOM 808 CB SER 104 16.880 17.488 10.262 1.00 0.00 ATOM 809 OG SER 104 16.731 18.275 9.071 1.00 0.00 ATOM 810 O SER 104 14.164 18.151 11.316 1.00 0.00 ATOM 811 C SER 104 14.285 17.200 10.543 1.00 0.00 ATOM 812 N ILE 105 13.274 16.711 9.831 1.00 0.00 ATOM 813 CA ILE 105 11.905 17.198 10.012 1.00 0.00 ATOM 814 CB ILE 105 10.950 16.744 8.893 1.00 0.00 ATOM 815 CG1 ILE 105 11.434 17.260 7.537 1.00 0.00 ATOM 816 CG2 ILE 105 9.548 17.281 9.139 1.00 0.00 ATOM 817 CD1 ILE 105 11.454 18.768 7.428 1.00 0.00 ATOM 818 O ILE 105 11.548 15.471 11.637 1.00 0.00 ATOM 819 C ILE 105 11.389 16.655 11.341 1.00 0.00 ATOM 820 N ALA 106 10.763 17.541 12.199 1.00 0.00 ATOM 821 CA ALA 106 10.265 17.149 13.516 1.00 0.00 ATOM 822 CB ALA 106 10.379 18.310 14.492 1.00 0.00 ATOM 823 O ALA 106 8.585 15.597 14.155 1.00 0.00 ATOM 824 C ALA 106 8.888 16.559 13.380 1.00 0.00 ATOM 825 N GLU 107 8.030 17.268 12.480 1.00 0.00 ATOM 826 CA GLU 107 6.670 16.737 12.355 1.00 0.00 ATOM 827 CB GLU 107 5.752 17.810 12.943 1.00 0.00 ATOM 828 CG GLU 107 4.276 17.451 12.910 1.00 0.00 ATOM 829 CD GLU 107 3.412 18.471 13.626 1.00 0.00 ATOM 830 OE1 GLU 107 3.975 19.404 14.235 1.00 0.00 ATOM 831 OE2 GLU 107 2.171 18.337 13.575 1.00 0.00 ATOM 832 O GLU 107 6.330 17.430 10.072 1.00 0.00 ATOM 833 C GLU 107 6.266 16.514 10.904 1.00 0.00 ATOM 834 N GLY 108 5.863 15.291 10.600 1.00 0.00 ATOM 835 CA GLY 108 5.448 14.984 9.246 1.00 0.00 ATOM 836 O GLY 108 3.675 13.710 10.203 1.00 0.00 ATOM 837 C GLY 108 4.005 14.534 9.348 1.00 0.00 ATOM 838 N GLU 109 3.150 15.085 8.493 1.00 0.00 ATOM 839 CA GLU 109 1.730 14.759 8.512 1.00 0.00 ATOM 840 CB GLU 109 0.893 15.989 8.868 1.00 0.00 ATOM 841 CG GLU 109 -0.600 15.716 8.963 1.00 0.00 ATOM 842 CD GLU 109 -1.397 16.955 9.321 1.00 0.00 ATOM 843 OE1 GLU 109 -0.790 18.043 9.423 1.00 0.00 ATOM 844 OE2 GLU 109 -2.628 16.841 9.499 1.00 0.00 ATOM 845 O GLU 109 1.645 14.836 6.105 1.00 0.00 ATOM 846 C GLU 109 1.362 14.217 7.123 1.00 0.00 ATOM 847 N MET 110 0.780 13.015 7.103 1.00 0.00 ATOM 848 CA MET 110 0.353 12.412 5.850 1.00 0.00 ATOM 849 CB MET 110 0.995 11.030 5.708 1.00 0.00 ATOM 850 CG MET 110 0.610 10.296 4.435 1.00 0.00 ATOM 851 SD MET 110 1.358 8.658 4.325 1.00 0.00 ATOM 852 CE MET 110 0.426 7.776 5.574 1.00 0.00 ATOM 853 O MET 110 -1.714 11.616 6.735 1.00 0.00 ATOM 854 C MET 110 -1.157 12.282 5.864 1.00 0.00 ATOM 855 N LYS 111 -1.868 12.908 4.886 1.00 0.00 ATOM 856 CA LYS 111 -3.312 12.848 4.852 1.00 0.00 ATOM 857 CB LYS 111 -3.921 14.239 4.665 1.00 0.00 ATOM 858 CG LYS 111 -5.440 14.250 4.625 1.00 0.00 ATOM 859 CD LYS 111 -5.977 15.657 4.413 1.00 0.00 ATOM 860 CE LYS 111 -7.496 15.666 4.354 1.00 0.00 ATOM 861 NZ LYS 111 -8.036 17.041 4.170 1.00 0.00 ATOM 862 O LYS 111 -3.107 12.039 2.587 1.00 0.00 ATOM 863 C LYS 111 -3.693 11.947 3.663 1.00 0.00 ATOM 864 N CYS 112 -4.604 11.009 3.898 1.00 0.00 ATOM 865 CA CYS 112 -5.063 10.127 2.843 1.00 0.00 ATOM 866 CB CYS 112 -4.780 8.662 3.183 1.00 0.00 ATOM 867 SG CYS 112 -5.348 7.483 1.937 1.00 0.00 ATOM 868 O CYS 112 -7.344 9.826 3.518 1.00 0.00 ATOM 869 C CYS 112 -6.553 10.385 2.752 1.00 0.00 ATOM 870 N ARG 113 -6.958 11.268 1.830 1.00 0.00 ATOM 871 CA ARG 113 -8.377 11.582 1.690 1.00 0.00 ATOM 872 CB ARG 113 -8.568 12.779 0.737 1.00 0.00 ATOM 873 CG ARG 113 -8.054 12.560 -0.667 1.00 0.00 ATOM 874 CD ARG 113 -8.078 13.885 -1.410 1.00 0.00 ATOM 875 NE ARG 113 -7.773 13.762 -2.833 1.00 0.00 ATOM 876 CZ ARG 113 -6.545 13.734 -3.336 1.00 0.00 ATOM 877 NH1 ARG 113 -5.495 13.811 -2.525 1.00 0.00 ATOM 878 NH2 ARG 113 -6.366 13.678 -4.652 1.00 0.00 ATOM 879 O ARG 113 -10.436 10.301 1.659 1.00 0.00 ATOM 880 C ARG 113 -9.265 10.433 1.268 1.00 0.00 ATOM 881 N ASN 114 -8.576 9.514 0.428 1.00 0.00 ATOM 882 CA ASN 114 -9.219 8.304 -0.006 1.00 0.00 ATOM 883 CB ASN 114 -8.399 7.576 -1.072 1.00 0.00 ATOM 884 CG ASN 114 -8.266 8.378 -2.352 1.00 0.00 ATOM 885 ND2 ASN 114 -7.245 8.064 -3.142 1.00 0.00 ATOM 886 OD1 ASN 114 -9.071 9.268 -2.625 1.00 0.00 ATOM 887 O ASN 114 -10.716 6.767 1.106 1.00 0.00 ATOM 888 C ASN 114 -9.611 7.333 1.112 1.00 0.00 ATOM 889 N CYS 115 -8.792 7.111 2.037 1.00 0.00 ATOM 890 CA CYS 115 -9.042 6.297 3.236 1.00 0.00 ATOM 891 CB CYS 115 -7.487 5.615 3.491 1.00 0.00 ATOM 892 SG CYS 115 -6.316 5.721 2.141 1.00 0.00 ATOM 893 O CYS 115 -9.989 6.630 5.409 1.00 0.00 ATOM 894 C CYS 115 -9.559 7.154 4.387 1.00 0.00 ATOM 895 N GLY 116 -9.515 8.497 4.191 1.00 0.00 ATOM 896 CA GLY 116 -10.008 9.402 5.213 1.00 0.00 ATOM 897 O GLY 116 -9.888 8.943 7.571 1.00 0.00 ATOM 898 C GLY 116 -9.283 9.147 6.510 1.00 0.00 ATOM 899 N HIS 117 -7.962 9.113 6.403 1.00 0.00 ATOM 900 CA HIS 117 -7.130 8.883 7.557 1.00 0.00 ATOM 901 CB HIS 117 -6.521 7.484 7.600 1.00 0.00 ATOM 902 CG HIS 117 -5.528 7.158 6.528 1.00 0.00 ATOM 903 CD2 HIS 117 -5.267 5.996 5.883 1.00 0.00 ATOM 904 ND1 HIS 117 -4.600 8.064 6.059 1.00 0.00 ATOM 905 CE1 HIS 117 -3.815 7.476 5.176 1.00 0.00 ATOM 906 NE2 HIS 117 -4.199 6.218 5.051 1.00 0.00 ATOM 907 O HIS 117 -5.648 10.445 6.487 1.00 0.00 ATOM 908 C HIS 117 -5.953 9.843 7.521 1.00 0.00 ATOM 909 N ILE 118 -5.320 10.018 8.670 1.00 0.00 ATOM 910 CA ILE 118 -4.155 10.868 8.752 1.00 0.00 ATOM 911 CB ILE 118 -4.499 12.240 9.360 1.00 0.00 ATOM 912 CG1 ILE 118 -5.527 12.966 8.488 1.00 0.00 ATOM 913 CG2 ILE 118 -3.253 13.108 9.458 1.00 0.00 ATOM 914 CD1 ILE 118 -6.055 14.244 9.104 1.00 0.00 ATOM 915 O ILE 118 -3.485 9.493 10.611 1.00 0.00 ATOM 916 C ILE 118 -3.136 10.165 9.635 1.00 0.00 ATOM 917 N TYR 119 -1.868 10.281 9.266 1.00 0.00 ATOM 918 CA TYR 119 -0.823 9.655 10.050 1.00 0.00 ATOM 919 CB TYR 119 -0.286 8.473 9.214 1.00 0.00 ATOM 920 CG TYR 119 0.756 7.556 9.825 1.00 0.00 ATOM 921 CD1 TYR 119 2.035 8.015 10.148 1.00 0.00 ATOM 922 CD2 TYR 119 0.486 6.196 9.985 1.00 0.00 ATOM 923 CE1 TYR 119 3.021 7.133 10.609 1.00 0.00 ATOM 924 CE2 TYR 119 1.460 5.310 10.441 1.00 0.00 ATOM 925 CZ TYR 119 2.723 5.783 10.748 1.00 0.00 ATOM 926 OH TYR 119 3.691 4.896 11.174 1.00 0.00 ATOM 927 O TYR 119 0.513 11.609 9.646 1.00 0.00 ATOM 928 C TYR 119 0.127 10.767 10.460 1.00 0.00 ATOM 929 N TYR 120 0.528 10.777 11.745 1.00 0.00 ATOM 930 CA TYR 120 1.456 11.768 12.276 1.00 0.00 ATOM 931 CB TYR 120 0.924 12.428 13.550 1.00 0.00 ATOM 932 CG TYR 120 -0.260 13.338 13.320 1.00 0.00 ATOM 933 CD1 TYR 120 -1.559 12.855 13.421 1.00 0.00 ATOM 934 CD2 TYR 120 -0.078 14.677 13.001 1.00 0.00 ATOM 935 CE1 TYR 120 -2.649 13.680 13.212 1.00 0.00 ATOM 936 CE2 TYR 120 -1.154 15.517 12.789 1.00 0.00 ATOM 937 CZ TYR 120 -2.447 15.007 12.897 1.00 0.00 ATOM 938 OH TYR 120 -3.530 15.831 12.688 1.00 0.00 ATOM 939 O TYR 120 2.807 10.087 13.329 1.00 0.00 ATOM 940 C TYR 120 2.782 11.089 12.606 1.00 0.00 ATOM 941 N ILE 121 3.876 11.647 12.076 1.00 0.00 ATOM 942 CA ILE 121 5.228 11.126 12.295 1.00 0.00 ATOM 943 CB ILE 121 5.940 10.821 10.964 1.00 0.00 ATOM 944 CG1 ILE 121 5.173 9.753 10.182 1.00 0.00 ATOM 945 CG2 ILE 121 7.350 10.311 11.219 1.00 0.00 ATOM 946 CD1 ILE 121 5.672 9.558 8.766 1.00 0.00 ATOM 947 O ILE 121 6.188 13.300 12.655 1.00 0.00 ATOM 948 C ILE 121 6.077 12.133 13.054 1.00 0.00 ATOM 949 N LYS 122 6.674 11.671 14.150 1.00 0.00 ATOM 950 CA LYS 122 7.525 12.509 14.989 1.00 0.00 ATOM 951 CB LYS 122 6.841 12.798 16.326 1.00 0.00 ATOM 952 CG LYS 122 5.580 13.637 16.210 1.00 0.00 ATOM 953 CD LYS 122 4.979 13.923 17.577 1.00 0.00 ATOM 954 CE LYS 122 3.702 14.738 17.460 1.00 0.00 ATOM 955 NZ LYS 122 3.097 15.019 18.790 1.00 0.00 ATOM 956 O LYS 122 8.819 10.521 15.257 1.00 0.00 ATOM 957 C LYS 122 8.816 11.746 15.216 1.00 0.00 ATOM 958 N ASN 123 9.857 12.666 15.353 1.00 0.00 ATOM 959 CA ASN 123 11.155 12.044 15.601 1.00 0.00 ATOM 960 CB ASN 123 12.052 13.129 16.069 1.00 0.00 ATOM 961 CG ASN 123 12.877 13.445 14.843 1.00 0.00 ATOM 962 ND2 ASN 123 13.458 14.670 14.784 1.00 0.00 ATOM 963 OD1 ASN 123 13.054 12.588 13.990 1.00 0.00 ATOM 964 O ASN 123 10.721 11.911 17.936 1.00 0.00 ATOM 965 C ASN 123 11.133 11.329 16.934 1.00 0.00 ATOM 966 N GLY 124 11.598 10.089 16.950 1.00 0.00 ATOM 967 CA GLY 124 11.662 9.340 18.186 1.00 0.00 ATOM 968 O GLY 124 10.228 8.443 19.872 1.00 0.00 ATOM 969 C GLY 124 10.328 8.849 18.711 1.00 0.00 ATOM 970 N ILE 125 9.305 8.868 17.871 1.00 0.00 ATOM 971 CA ILE 125 7.996 8.412 18.310 1.00 0.00 ATOM 972 CB ILE 125 7.036 9.599 18.517 1.00 0.00 ATOM 973 CG1 ILE 125 7.544 10.506 19.639 1.00 0.00 ATOM 974 CG2 ILE 125 5.647 9.102 18.891 1.00 0.00 ATOM 975 CD1 ILE 125 6.804 11.821 19.742 1.00 0.00 ATOM 976 O ILE 125 7.229 7.875 16.092 1.00 0.00 ATOM 977 C ILE 125 7.271 7.536 17.291 1.00 0.00 ATOM 978 N PRO 126 6.677 6.458 17.764 1.00 0.00 ATOM 979 CA PRO 126 5.857 5.655 16.878 1.00 0.00 ATOM 980 CB PRO 126 5.219 4.647 17.827 1.00 0.00 ATOM 981 CG PRO 126 6.213 4.508 18.957 1.00 0.00 ATOM 982 CD PRO 126 6.732 5.900 19.139 1.00 0.00 ATOM 983 O PRO 126 3.977 7.222 16.780 1.00 0.00 ATOM 984 C PRO 126 4.752 6.461 16.169 1.00 0.00 ATOM 985 N ASN 127 4.711 6.332 14.857 1.00 0.00 ATOM 986 CA ASN 127 3.765 7.086 14.036 1.00 0.00 ATOM 987 CB ASN 127 4.273 7.100 12.570 1.00 0.00 ATOM 988 CG ASN 127 5.730 7.550 12.441 1.00 0.00 ATOM 989 ND2 ASN 127 6.564 6.713 11.812 1.00 0.00 ATOM 990 OD1 ASN 127 6.099 8.640 12.894 1.00 0.00 ATOM 991 O ASN 127 1.998 5.638 14.748 1.00 0.00 ATOM 992 C ASN 127 2.325 6.779 14.452 1.00 0.00 ATOM 993 N LEU 128 1.500 7.814 14.515 1.00 0.00 ATOM 994 CA LEU 128 0.109 7.703 14.927 1.00 0.00 ATOM 995 CB LEU 128 -0.260 8.857 15.861 1.00 0.00 ATOM 996 CG LEU 128 -1.711 8.898 16.345 1.00 0.00 ATOM 997 CD1 LEU 128 -2.020 7.693 17.220 1.00 0.00 ATOM 998 CD2 LEU 128 -1.968 10.156 17.164 1.00 0.00 ATOM 999 O LEU 128 -0.900 8.755 13.029 1.00 0.00 ATOM 1000 C LEU 128 -0.821 7.744 13.720 1.00 0.00 ATOM 1001 N LEU 129 -1.539 6.652 13.485 1.00 0.00 ATOM 1002 CA LEU 129 -2.471 6.549 12.363 1.00 0.00 ATOM 1003 CB LEU 129 -2.222 5.259 11.554 1.00 0.00 ATOM 1004 CG LEU 129 -3.175 5.052 10.367 1.00 0.00 ATOM 1005 CD1 LEU 129 -2.916 6.122 9.314 1.00 0.00 ATOM 1006 CD2 LEU 129 -2.999 3.655 9.794 1.00 0.00 ATOM 1007 O LEU 129 -4.351 5.774 13.636 1.00 0.00 ATOM 1008 C LEU 129 -3.915 6.623 12.858 1.00 0.00 ATOM 1009 N LEU 130 -4.641 7.594 12.435 1.00 0.00 ATOM 1010 CA LEU 130 -6.025 7.816 12.817 1.00 0.00 ATOM 1011 CB LEU 130 -6.180 9.014 13.757 1.00 0.00 ATOM 1012 CG LEU 130 -7.658 9.354 14.024 1.00 0.00 ATOM 1013 CD1 LEU 130 -8.336 8.181 14.730 1.00 0.00 ATOM 1014 CD2 LEU 130 -7.768 10.616 14.862 1.00 0.00 ATOM 1015 O LEU 130 -6.799 9.073 10.926 1.00 0.00 ATOM 1016 C LEU 130 -6.918 8.047 11.605 1.00 0.00 ATOM 1017 N PRO 131 -7.774 7.064 11.274 1.00 0.00 ATOM 1018 CA PRO 131 -8.678 7.199 10.126 1.00 0.00 ATOM 1019 CB PRO 131 -9.056 5.762 9.830 1.00 0.00 ATOM 1020 CG PRO 131 -9.078 5.150 11.199 1.00 0.00 ATOM 1021 CD PRO 131 -7.784 5.697 11.820 1.00 0.00 ATOM 1022 O PRO 131 -10.418 7.838 11.639 1.00 0.00 ATOM 1023 C PRO 131 -9.689 8.180 10.710 1.00 0.00 ATOM 1024 N PRO 132 -9.820 9.526 10.265 1.00 0.00 ATOM 1025 CA PRO 132 -10.755 10.493 10.864 1.00 0.00 ATOM 1026 CB PRO 132 -10.483 11.783 10.084 1.00 0.00 ATOM 1027 CG PRO 132 -9.110 11.622 9.542 1.00 0.00 ATOM 1028 CD PRO 132 -8.955 10.155 9.249 1.00 0.00 ATOM 1029 O PRO 132 -13.075 10.576 11.527 1.00 0.00 ATOM 1030 C PRO 132 -12.241 10.104 10.749 1.00 0.00 ATOM 1031 N HIS 133 -12.558 9.240 9.793 1.00 0.00 ATOM 1032 CA HIS 133 -13.914 8.748 9.600 1.00 0.00 ATOM 1033 CB HIS 133 -14.323 8.705 8.156 1.00 0.00 ATOM 1034 CG HIS 133 -14.275 10.073 7.509 1.00 0.00 ATOM 1035 CD2 HIS 133 -13.636 10.491 6.430 1.00 0.00 ATOM 1036 ND1 HIS 133 -14.969 11.149 8.027 1.00 0.00 ATOM 1037 CE1 HIS 133 -14.717 12.185 7.245 1.00 0.00 ATOM 1038 NE2 HIS 133 -13.894 11.830 6.266 1.00 0.00 ATOM 1039 O HIS 133 -15.262 6.862 10.305 1.00 0.00 ATOM 1040 C HIS 133 -14.160 7.434 10.349 1.00 0.00 ATOM 1041 N LEU 134 -13.146 6.963 11.064 1.00 0.00 ATOM 1042 CA LEU 134 -13.232 5.678 11.742 1.00 0.00 ATOM 1043 CB LEU 134 -12.221 4.696 11.146 1.00 0.00 ATOM 1044 CG LEU 134 -12.457 4.272 9.694 1.00 0.00 ATOM 1045 CD1 LEU 134 -11.266 3.486 9.175 1.00 0.00 ATOM 1046 CD2 LEU 134 -13.751 3.465 9.587 1.00 0.00 ATOM 1047 O LEU 134 -13.630 4.996 13.995 1.00 0.00 ATOM 1048 C LEU 134 -13.003 5.741 13.251 1.00 0.00 ATOM 1049 N VAL 135 -12.102 6.616 13.699 1.00 0.00 ATOM 1050 CA VAL 135 -11.750 6.690 15.111 1.00 0.00 ATOM 1051 CB VAL 135 -10.274 6.180 15.319 1.00 0.00 ATOM 1052 CG1 VAL 135 -9.858 6.233 16.776 1.00 0.00 ATOM 1053 CG2 VAL 135 -10.126 4.745 14.802 1.00 0.00 ATOM 1054 O VAL 135 -11.545 9.043 14.764 1.00 0.00 ATOM 1055 C VAL 135 -11.724 8.132 15.573 1.00 0.00 TER END