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 4 Thu Jul 13 18:28:33 2006 MODEL 4 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 8.222 -3.578 3.383 1.00 0.00 ATOM 2 CA MET 1 8.212 -2.098 3.215 1.00 0.00 ATOM 3 CB MET 1 8.311 -1.388 4.581 1.00 0.00 ATOM 4 CG MET 1 9.598 -1.435 5.401 1.00 0.00 ATOM 5 SD MET 1 9.709 -0.885 7.143 1.00 0.00 ATOM 6 CE MET 1 9.085 0.828 7.194 1.00 0.00 ATOM 7 O MET 1 10.458 -2.258 2.393 1.00 0.00 ATOM 8 C MET 1 9.366 -1.694 2.317 1.00 0.00 ATOM 9 N LYS 2 9.109 -0.706 1.473 1.00 0.00 ATOM 10 CA LYS 2 10.138 -0.198 0.546 1.00 0.00 ATOM 11 CB LYS 2 9.546 0.866 -0.380 1.00 0.00 ATOM 12 CG LYS 2 8.570 0.321 -1.409 1.00 0.00 ATOM 13 CD LYS 2 8.025 1.429 -2.295 1.00 0.00 ATOM 14 CE LYS 2 7.030 0.887 -3.309 1.00 0.00 ATOM 15 NZ LYS 2 6.463 1.968 -4.162 1.00 0.00 ATOM 16 O LYS 2 12.478 0.191 0.888 1.00 0.00 ATOM 17 C LYS 2 11.327 0.414 1.274 1.00 0.00 ATOM 18 N PHE 3 11.053 1.177 2.332 1.00 0.00 ATOM 19 CA PHE 3 12.104 1.804 3.117 1.00 0.00 ATOM 20 CB PHE 3 11.518 2.973 3.896 1.00 0.00 ATOM 21 CG PHE 3 12.449 3.479 4.978 1.00 0.00 ATOM 22 CD1 PHE 3 13.708 3.977 4.652 1.00 0.00 ATOM 23 CD2 PHE 3 12.092 3.421 6.314 1.00 0.00 ATOM 24 CE1 PHE 3 14.596 4.448 5.657 1.00 0.00 ATOM 25 CE2 PHE 3 12.959 3.892 7.325 1.00 0.00 ATOM 26 CZ PHE 3 14.211 4.403 6.997 1.00 0.00 ATOM 27 O PHE 3 11.620 0.014 4.643 1.00 0.00 ATOM 28 C PHE 3 12.482 0.754 4.149 1.00 0.00 ATOM 29 N LEU 4 13.758 0.655 4.456 1.00 0.00 ATOM 30 CA LEU 4 14.274 -0.318 5.420 1.00 0.00 ATOM 31 CB LEU 4 14.905 -1.523 4.719 1.00 0.00 ATOM 32 CG LEU 4 15.408 -2.692 5.588 1.00 0.00 ATOM 33 CD1 LEU 4 14.219 -3.457 6.186 1.00 0.00 ATOM 34 CD2 LEU 4 16.237 -3.661 4.732 1.00 0.00 ATOM 35 O LEU 4 16.222 1.059 5.661 1.00 0.00 ATOM 36 C LEU 4 15.360 0.384 6.230 1.00 0.00 ATOM 37 N THR 5 15.332 0.235 7.549 1.00 0.00 ATOM 38 CA THR 5 16.352 0.887 8.372 1.00 0.00 ATOM 39 CB THR 5 15.940 0.940 9.873 1.00 0.00 ATOM 40 CG2 THR 5 14.689 1.784 10.069 1.00 0.00 ATOM 41 OG1 THR 5 15.681 -0.389 10.345 1.00 0.00 ATOM 42 O THR 5 17.664 -1.089 7.954 1.00 0.00 ATOM 43 C THR 5 17.662 0.100 8.296 1.00 0.00 ATOM 44 N THR 6 18.769 0.782 8.596 1.00 0.00 ATOM 45 CA THR 6 20.098 0.165 8.695 1.00 0.00 ATOM 46 CB THR 6 21.237 1.067 8.167 1.00 0.00 ATOM 47 CG2 THR 6 20.907 1.593 6.813 1.00 0.00 ATOM 48 OG1 THR 6 21.439 2.162 9.077 1.00 0.00 ATOM 49 O THR 6 19.391 0.367 10.985 1.00 0.00 ATOM 50 C THR 6 20.229 -0.104 10.205 1.00 0.00 ATOM 51 N ASN 7 21.431 -0.703 10.585 1.00 0.00 ATOM 52 CA ASN 7 21.696 -0.905 12.003 1.00 0.00 ATOM 53 CB ASN 7 22.991 -1.699 12.196 1.00 0.00 ATOM 54 CG ASN 7 23.213 -2.110 13.638 1.00 0.00 ATOM 55 ND2 ASN 7 24.286 -1.606 14.236 1.00 0.00 ATOM 56 OD1 ASN 7 22.428 -2.870 14.206 1.00 0.00 ATOM 57 O ASN 7 21.331 0.519 13.911 1.00 0.00 ATOM 58 C ASN 7 21.839 0.394 12.789 1.00 0.00 ATOM 59 N PHE 8 22.527 1.369 12.207 1.00 0.00 ATOM 60 CA PHE 8 22.684 2.650 12.862 1.00 0.00 ATOM 61 CB PHE 8 23.559 3.579 12.019 1.00 0.00 ATOM 62 CG PHE 8 23.727 4.951 12.607 1.00 0.00 ATOM 63 CD1 PHE 8 24.627 5.173 13.635 1.00 0.00 ATOM 64 CD2 PHE 8 22.987 6.020 12.133 1.00 0.00 ATOM 65 CE1 PHE 8 24.783 6.436 14.176 1.00 0.00 ATOM 66 CE2 PHE 8 23.141 7.282 12.674 1.00 0.00 ATOM 67 CZ PHE 8 24.035 7.492 13.691 1.00 0.00 ATOM 68 O PHE 8 20.948 3.800 14.083 1.00 0.00 ATOM 69 C PHE 8 21.295 3.280 13.017 1.00 0.00 ATOM 70 N LEU 9 20.472 3.244 11.963 1.00 0.00 ATOM 71 CA LEU 9 19.137 3.826 12.038 1.00 0.00 ATOM 72 CB LEU 9 18.460 3.789 10.705 1.00 0.00 ATOM 73 CG LEU 9 18.967 4.771 9.634 1.00 0.00 ATOM 74 CD1 LEU 9 18.468 4.353 8.267 1.00 0.00 ATOM 75 CD2 LEU 9 18.563 6.184 10.003 1.00 0.00 ATOM 76 O LEU 9 17.593 3.735 13.905 1.00 0.00 ATOM 77 C LEU 9 18.332 3.127 13.101 1.00 0.00 ATOM 78 N LYS 10 18.461 1.781 13.134 1.00 0.00 ATOM 79 CA LYS 10 17.744 0.996 14.133 1.00 0.00 ATOM 80 CB LYS 10 17.943 -0.506 13.924 1.00 0.00 ATOM 81 CG LYS 10 17.161 -1.376 14.895 1.00 0.00 ATOM 82 CD LYS 10 15.663 -1.228 14.687 1.00 0.00 ATOM 83 CE LYS 10 14.885 -2.188 15.574 1.00 0.00 ATOM 84 NZ LYS 10 13.415 -2.038 15.397 1.00 0.00 ATOM 85 O LYS 10 17.333 1.534 16.443 1.00 0.00 ATOM 86 C LYS 10 18.181 1.321 15.565 1.00 0.00 ATOM 87 N CYS 11 19.492 1.359 15.809 1.00 0.00 ATOM 88 CA CYS 11 19.997 1.664 17.151 1.00 0.00 ATOM 89 CB CYS 11 21.523 1.552 17.188 1.00 0.00 ATOM 90 SG CYS 11 22.153 -0.134 17.019 1.00 0.00 ATOM 91 O CYS 11 19.228 3.369 18.694 1.00 0.00 ATOM 92 C CYS 11 19.584 3.106 17.546 1.00 0.00 ATOM 93 N SER 12 19.607 4.022 16.584 1.00 0.00 ATOM 94 CA SER 12 19.228 5.413 16.849 1.00 0.00 ATOM 95 CB SER 12 19.433 6.271 15.600 1.00 0.00 ATOM 96 OG SER 12 20.808 6.373 15.271 1.00 0.00 ATOM 97 O SER 12 17.399 6.140 18.264 1.00 0.00 ATOM 98 C SER 12 17.760 5.499 17.259 1.00 0.00 ATOM 99 N VAL 13 16.903 4.817 16.515 1.00 0.00 ATOM 100 CA VAL 13 15.495 4.870 16.848 1.00 0.00 ATOM 101 CB VAL 13 14.616 4.346 15.724 1.00 0.00 ATOM 102 CG1 VAL 13 14.787 2.834 15.569 1.00 0.00 ATOM 103 CG2 VAL 13 13.155 4.764 15.977 1.00 0.00 ATOM 104 O VAL 13 14.437 4.776 18.997 1.00 0.00 ATOM 105 C VAL 13 15.200 4.229 18.202 1.00 0.00 ATOM 106 N LYS 14 15.794 3.057 18.481 1.00 0.00 ATOM 107 CA LYS 14 15.568 2.386 19.756 1.00 0.00 ATOM 108 CB LYS 14 16.342 1.068 19.843 1.00 0.00 ATOM 109 CG LYS 14 16.089 0.286 21.122 1.00 0.00 ATOM 110 CD LYS 14 16.825 -1.043 21.109 1.00 0.00 ATOM 111 CE LYS 14 16.598 -1.813 22.400 1.00 0.00 ATOM 112 NZ LYS 14 17.324 -3.114 22.406 1.00 0.00 ATOM 113 O LYS 14 15.365 3.439 21.903 1.00 0.00 ATOM 114 C LYS 14 16.014 3.319 20.864 1.00 0.00 ATOM 115 N ALA 15 17.154 3.961 20.649 1.00 0.00 ATOM 116 CA ALA 15 17.693 4.887 21.644 1.00 0.00 ATOM 117 CB ALA 15 19.012 5.471 21.165 1.00 0.00 ATOM 118 O ALA 15 16.743 6.712 22.900 1.00 0.00 ATOM 119 C ALA 15 16.752 6.083 21.837 1.00 0.00 ATOM 120 N CYS 16 15.970 6.438 20.827 1.00 0.00 ATOM 121 CA CYS 16 15.049 7.563 20.930 1.00 0.00 ATOM 122 CB CYS 16 14.948 8.296 19.591 1.00 0.00 ATOM 123 SG CYS 16 16.482 9.094 19.060 1.00 0.00 ATOM 124 O CYS 16 12.659 7.708 21.100 1.00 0.00 ATOM 125 C CYS 16 13.672 7.051 21.355 1.00 0.00 ATOM 126 N ASP 17 13.535 5.799 21.911 1.00 0.00 ATOM 127 CA ASP 17 12.251 5.221 22.331 1.00 0.00 ATOM 128 CB ASP 17 11.437 6.289 23.065 1.00 0.00 ATOM 129 CG ASP 17 12.116 6.770 24.332 1.00 0.00 ATOM 130 OD1 ASP 17 12.611 5.919 25.101 1.00 0.00 ATOM 131 OD2 ASP 17 12.152 7.998 24.557 1.00 0.00 ATOM 132 O ASP 17 10.125 4.516 21.555 1.00 0.00 ATOM 133 C ASP 17 11.305 4.701 21.272 1.00 0.00 ATOM 134 N THR 18 11.717 4.504 19.951 1.00 0.00 ATOM 135 CA THR 18 10.854 3.967 18.906 1.00 0.00 ATOM 136 CB THR 18 11.637 3.699 17.607 1.00 0.00 ATOM 137 CG2 THR 18 10.721 3.113 16.544 1.00 0.00 ATOM 138 OG1 THR 18 12.192 4.927 17.119 1.00 0.00 ATOM 139 O THR 18 9.015 2.435 19.090 1.00 0.00 ATOM 140 C THR 18 10.206 2.645 19.319 1.00 0.00 ATOM 141 N SER 19 10.971 1.819 19.958 1.00 0.00 ATOM 142 CA SER 19 10.500 0.529 20.444 1.00 0.00 ATOM 143 CB SER 19 11.641 -0.243 21.110 1.00 0.00 ATOM 144 OG SER 19 12.632 -0.606 20.164 1.00 0.00 ATOM 145 O SER 19 8.350 -0.038 21.390 1.00 0.00 ATOM 146 C SER 19 9.372 0.648 21.482 1.00 0.00 ATOM 147 N ASN 20 9.632 1.588 22.550 1.00 0.00 ATOM 148 CA ASN 20 8.607 1.751 23.580 1.00 0.00 ATOM 149 CB ASN 20 9.070 2.751 24.642 1.00 0.00 ATOM 150 CG ASN 20 10.148 2.184 25.545 1.00 0.00 ATOM 151 ND2 ASN 20 10.880 3.065 26.215 1.00 0.00 ATOM 152 OD1 ASN 20 10.318 0.968 25.637 1.00 0.00 ATOM 153 O ASN 20 6.219 1.712 23.294 1.00 0.00 ATOM 154 C ASN 20 7.288 2.235 22.990 1.00 0.00 ATOM 155 N ASP 21 7.398 3.264 22.148 1.00 0.00 ATOM 156 CA ASP 21 6.213 3.851 21.524 1.00 0.00 ATOM 157 CB ASP 21 6.592 5.026 20.621 1.00 0.00 ATOM 158 CG ASP 21 6.976 6.265 21.408 1.00 0.00 ATOM 159 OD1 ASP 21 6.722 6.294 22.631 1.00 0.00 ATOM 160 OD2 ASP 21 7.527 7.207 20.801 1.00 0.00 ATOM 161 O ASP 21 4.225 2.809 20.689 1.00 0.00 ATOM 162 C ASP 21 5.449 2.867 20.645 1.00 0.00 ATOM 163 N ASN 22 6.166 1.928 19.843 1.00 0.00 ATOM 164 CA ASN 22 5.494 1.009 18.950 1.00 0.00 ATOM 165 CB ASN 22 6.486 0.413 17.949 1.00 0.00 ATOM 166 CG ASN 22 6.863 1.387 16.851 1.00 0.00 ATOM 167 ND2 ASN 22 8.135 1.765 16.807 1.00 0.00 ATOM 168 OD1 ASN 22 6.018 1.796 16.053 1.00 0.00 ATOM 169 O ASN 22 3.773 -0.587 19.430 1.00 0.00 ATOM 170 C ASN 22 4.865 -0.126 19.765 1.00 0.00 ATOM 171 N PHE 23 5.517 -0.547 20.840 1.00 0.00 ATOM 172 CA PHE 23 5.008 -1.597 21.724 1.00 0.00 ATOM 173 CB PHE 23 5.951 -1.801 22.911 1.00 0.00 ATOM 174 CG PHE 23 5.479 -2.837 23.890 1.00 0.00 ATOM 175 CD1 PHE 23 5.650 -4.186 23.630 1.00 0.00 ATOM 176 CD2 PHE 23 4.862 -2.463 25.072 1.00 0.00 ATOM 177 CE1 PHE 23 5.214 -5.140 24.531 1.00 0.00 ATOM 178 CE2 PHE 23 4.426 -3.418 25.973 1.00 0.00 ATOM 179 CZ PHE 23 4.601 -4.750 25.706 1.00 0.00 ATOM 180 O PHE 23 2.652 -1.929 22.154 1.00 0.00 ATOM 181 C PHE 23 3.629 -1.167 22.231 1.00 0.00 ATOM 182 N PRO 24 3.529 0.037 22.767 1.00 0.00 ATOM 183 CA PRO 24 2.288 0.600 23.277 1.00 0.00 ATOM 184 CB PRO 24 2.695 1.976 23.805 1.00 0.00 ATOM 185 CG PRO 24 4.129 1.822 24.184 1.00 0.00 ATOM 186 CD PRO 24 4.742 0.929 23.143 1.00 0.00 ATOM 187 O PRO 24 0.070 0.348 22.307 1.00 0.00 ATOM 188 C PRO 24 1.248 0.704 22.141 1.00 0.00 ATOM 189 N LEU 25 1.695 1.246 20.926 1.00 0.00 ATOM 190 CA LEU 25 0.786 1.340 19.793 1.00 0.00 ATOM 191 CB LEU 25 1.493 1.965 18.589 1.00 0.00 ATOM 192 CG LEU 25 0.650 2.142 17.324 1.00 0.00 ATOM 193 CD1 LEU 25 -0.527 3.069 17.590 1.00 0.00 ATOM 194 CD2 LEU 25 1.483 2.742 16.202 1.00 0.00 ATOM 195 O LEU 25 -0.922 -0.203 19.090 1.00 0.00 ATOM 196 C LEU 25 0.272 -0.033 19.352 1.00 0.00 ATOM 197 N GLN 26 1.151 -1.036 19.298 1.00 0.00 ATOM 198 CA GLN 26 0.764 -2.403 18.935 1.00 0.00 ATOM 199 CB GLN 26 2.144 -3.325 19.333 1.00 0.00 ATOM 200 CG GLN 26 2.340 -4.702 18.734 1.00 0.00 ATOM 201 CD GLN 26 3.362 -5.517 19.516 1.00 0.00 ATOM 202 OE1 GLN 26 3.004 -6.408 20.302 1.00 0.00 ATOM 203 NE2 GLN 26 4.643 -5.210 19.313 1.00 0.00 ATOM 204 O GLN 26 -1.147 -3.698 19.637 1.00 0.00 ATOM 205 C GLN 26 -0.208 -2.973 19.975 1.00 0.00 ATOM 206 N TYR 27 0.043 -2.583 21.297 1.00 0.00 ATOM 207 CA TYR 27 -0.800 -3.027 22.393 1.00 0.00 ATOM 208 CB TYR 27 -0.295 -2.463 23.722 1.00 0.00 ATOM 209 CG TYR 27 -1.138 -2.857 24.915 1.00 0.00 ATOM 210 CD1 TYR 27 -1.020 -4.120 25.481 1.00 0.00 ATOM 211 CD2 TYR 27 -2.046 -1.965 25.469 1.00 0.00 ATOM 212 CE1 TYR 27 -1.787 -4.488 26.572 1.00 0.00 ATOM 213 CE2 TYR 27 -2.820 -2.317 26.558 1.00 0.00 ATOM 214 CZ TYR 27 -2.683 -3.590 27.108 1.00 0.00 ATOM 215 OH TYR 27 -3.447 -3.955 28.194 1.00 0.00 ATOM 216 O TYR 27 -3.178 -3.429 22.241 1.00 0.00 ATOM 217 C TYR 27 -2.258 -2.610 22.156 1.00 0.00 ATOM 218 N ASP 28 -2.469 -1.340 21.865 1.00 0.00 ATOM 219 CA ASP 28 -3.801 -0.815 21.612 1.00 0.00 ATOM 220 CB ASP 28 -3.794 0.702 21.407 1.00 0.00 ATOM 221 CG ASP 28 -3.504 1.460 22.687 1.00 0.00 ATOM 222 OD1 ASP 28 -3.552 0.840 23.770 1.00 0.00 ATOM 223 OD2 ASP 28 -3.229 2.676 22.607 1.00 0.00 ATOM 224 O ASP 28 -5.621 -1.820 20.388 1.00 0.00 ATOM 225 C ASP 28 -4.436 -1.464 20.384 1.00 0.00 ATOM 226 N GLY 29 -3.640 -1.607 19.327 1.00 0.00 ATOM 227 CA GLY 29 -4.140 -2.223 18.107 1.00 0.00 ATOM 228 O GLY 29 -5.555 -4.169 18.010 1.00 0.00 ATOM 229 C GLY 29 -4.503 -3.691 18.413 1.00 0.00 ATOM 230 N SER 30 -3.620 -4.397 19.115 1.00 0.00 ATOM 231 CA SER 30 -3.844 -5.804 19.448 1.00 0.00 ATOM 232 CB SER 30 -2.567 -6.336 20.152 1.00 0.00 ATOM 233 OG SER 30 -2.640 -7.727 20.383 1.00 0.00 ATOM 234 O SER 30 -5.766 -7.048 20.310 1.00 0.00 ATOM 235 C SER 30 -5.036 -6.046 20.398 1.00 0.00 ATOM 236 N LYS 31 -5.225 -5.144 21.403 1.00 0.00 ATOM 237 CA LYS 31 -6.384 -5.178 22.258 1.00 0.00 ATOM 238 CB LYS 31 -6.307 -4.024 23.260 1.00 0.00 ATOM 239 CG LYS 31 -7.440 -4.007 24.276 1.00 0.00 ATOM 240 CD LYS 31 -7.263 -2.881 25.280 1.00 0.00 ATOM 241 CE LYS 31 -8.419 -2.834 26.265 1.00 0.00 ATOM 242 NZ LYS 31 -8.271 -1.721 27.242 1.00 0.00 ATOM 243 O LYS 31 -8.593 -5.823 21.625 1.00 0.00 ATOM 244 C LYS 31 -7.652 -5.052 21.448 1.00 0.00 ATOM 245 N CYS 32 -7.725 -4.052 20.469 1.00 0.00 ATOM 246 CA CYS 32 -8.887 -3.904 19.611 1.00 0.00 ATOM 247 CB CYS 32 -8.687 -2.742 18.637 1.00 0.00 ATOM 248 SG CYS 32 -8.691 -1.108 19.410 1.00 0.00 ATOM 249 O CYS 32 -10.201 -5.754 18.753 1.00 0.00 ATOM 250 C CYS 32 -9.100 -5.206 18.807 1.00 0.00 ATOM 251 N GLN 33 -8.079 -5.669 18.254 1.00 0.00 ATOM 252 CA GLN 33 -8.203 -6.859 17.419 1.00 0.00 ATOM 253 CB GLN 33 -6.878 -7.163 16.719 1.00 0.00 ATOM 254 CG GLN 33 -6.946 -8.317 15.732 1.00 0.00 ATOM 255 CD GLN 33 -7.895 -8.043 14.581 1.00 0.00 ATOM 256 OE1 GLN 33 -7.879 -6.960 13.997 1.00 0.00 ATOM 257 NE2 GLN 33 -8.724 -9.027 14.253 1.00 0.00 ATOM 258 O GLN 33 -9.332 -8.975 17.695 1.00 0.00 ATOM 259 C GLN 33 -8.587 -8.128 18.201 1.00 0.00 ATOM 260 N LEU 34 -8.085 -8.258 19.424 1.00 0.00 ATOM 261 CA LEU 34 -8.406 -9.433 20.223 1.00 0.00 ATOM 262 CB LEU 34 -7.662 -9.392 21.560 1.00 0.00 ATOM 263 CG LEU 34 -6.146 -9.587 21.498 1.00 0.00 ATOM 264 CD1 LEU 34 -5.516 -9.343 22.860 1.00 0.00 ATOM 265 CD2 LEU 34 -5.802 -11.003 21.062 1.00 0.00 ATOM 266 O LEU 34 -10.560 -10.483 20.330 1.00 0.00 ATOM 267 C LEU 34 -9.907 -9.454 20.481 1.00 0.00 ATOM 268 N VAL 35 -10.444 -8.306 20.853 1.00 0.00 ATOM 269 CA VAL 35 -11.870 -8.212 21.123 1.00 0.00 ATOM 270 CB VAL 35 -12.245 -6.841 21.715 1.00 0.00 ATOM 271 CG1 VAL 35 -13.756 -6.698 21.815 1.00 0.00 ATOM 272 CG2 VAL 35 -11.655 -6.683 23.108 1.00 0.00 ATOM 273 O VAL 35 -13.731 -9.069 19.907 1.00 0.00 ATOM 274 C VAL 35 -12.705 -8.398 19.870 1.00 0.00 ATOM 275 N GLN 36 -12.244 -7.754 18.700 1.00 0.00 ATOM 276 CA GLN 36 -12.977 -7.872 17.444 1.00 0.00 ATOM 277 CB GLN 36 -12.692 -6.670 16.543 1.00 0.00 ATOM 278 CG GLN 36 -13.237 -5.354 17.072 1.00 0.00 ATOM 279 CD GLN 36 -12.849 -4.171 16.207 1.00 0.00 ATOM 280 OE1 GLN 36 -12.074 -4.309 15.260 1.00 0.00 ATOM 281 NE2 GLN 36 -13.388 -3.001 16.528 1.00 0.00 ATOM 282 O GLN 36 -13.605 -9.667 15.973 1.00 0.00 ATOM 283 C GLN 36 -12.687 -9.098 16.559 1.00 0.00 ATOM 284 N ASP 37 -11.421 -9.488 16.444 1.00 0.00 ATOM 285 CA ASP 37 -11.070 -10.648 15.638 1.00 0.00 ATOM 286 CB ASP 37 -11.907 -11.861 16.051 1.00 0.00 ATOM 287 CG ASP 37 -11.632 -12.300 17.476 1.00 0.00 ATOM 288 OD1 ASP 37 -10.446 -12.481 17.822 1.00 0.00 ATOM 289 OD2 ASP 37 -12.602 -12.463 18.244 1.00 0.00 ATOM 290 O ASP 37 -11.497 -11.538 13.446 1.00 0.00 ATOM 291 C ASP 37 -11.263 -10.540 14.129 1.00 0.00 ATOM 292 N GLU 38 -11.146 -9.318 13.615 1.00 0.00 ATOM 293 CA GLU 38 -11.280 -9.063 12.182 1.00 0.00 ATOM 294 CB GLU 38 -11.853 -7.605 12.035 1.00 0.00 ATOM 295 CG GLU 38 -13.274 -7.409 12.544 1.00 0.00 ATOM 296 CD GLU 38 -13.815 -6.007 12.289 1.00 0.00 ATOM 297 OE1 GLU 38 -13.274 -5.276 11.424 1.00 0.00 ATOM 298 OE2 GLU 38 -14.795 -5.641 12.959 1.00 0.00 ATOM 299 O GLU 38 -10.039 -9.576 10.198 1.00 0.00 ATOM 300 C GLU 38 -10.003 -9.352 11.409 1.00 0.00 ATOM 301 N SER 39 -8.875 -9.417 12.097 1.00 0.00 ATOM 302 CA SER 39 -7.651 -9.656 11.358 1.00 0.00 ATOM 303 CB SER 39 -7.210 -8.401 10.603 1.00 0.00 ATOM 304 OG SER 39 -6.849 -7.366 11.502 1.00 0.00 ATOM 305 O SER 39 -6.633 -10.646 13.288 1.00 0.00 ATOM 306 C SER 39 -6.462 -10.076 12.214 1.00 0.00 ATOM 307 N ILE 40 -5.230 -9.655 11.625 1.00 0.00 ATOM 308 CA ILE 40 -3.973 -9.937 12.299 1.00 0.00 ATOM 309 CB ILE 40 -3.111 -10.929 11.496 1.00 0.00 ATOM 310 CG1 ILE 40 -1.832 -11.267 12.264 1.00 0.00 ATOM 311 CG2 ILE 40 -2.722 -10.329 10.153 1.00 0.00 ATOM 312 CD1 ILE 40 -1.077 -12.451 11.702 1.00 0.00 ATOM 313 O ILE 40 -3.088 -7.821 11.586 1.00 0.00 ATOM 314 C ILE 40 -3.141 -8.664 12.485 1.00 0.00 ATOM 315 N GLU 41 -2.506 -8.530 13.647 1.00 0.00 ATOM 316 CA GLU 41 -1.701 -7.346 13.944 1.00 0.00 ATOM 317 CB GLU 41 -2.163 -6.718 15.261 1.00 0.00 ATOM 318 CG GLU 41 -1.196 -5.666 15.791 1.00 0.00 ATOM 319 CD GLU 41 -1.496 -5.235 17.215 1.00 0.00 ATOM 320 OE1 GLU 41 -1.690 -6.114 18.086 1.00 0.00 ATOM 321 OE2 GLU 41 -1.525 -4.012 17.469 1.00 0.00 ATOM 322 O GLU 41 0.123 -8.794 14.481 1.00 0.00 ATOM 323 C GLU 41 -0.227 -7.719 14.005 1.00 0.00 ATOM 324 N PHE 42 0.629 -6.850 13.481 1.00 0.00 ATOM 325 CA PHE 42 2.069 -7.102 13.460 1.00 0.00 ATOM 326 CB PHE 42 2.575 -7.197 12.019 1.00 0.00 ATOM 327 CG PHE 42 2.004 -8.355 11.252 1.00 0.00 ATOM 328 CD1 PHE 42 0.867 -8.200 10.479 1.00 0.00 ATOM 329 CD2 PHE 42 2.605 -9.602 11.304 1.00 0.00 ATOM 330 CE1 PHE 42 0.342 -9.265 9.773 1.00 0.00 ATOM 331 CE2 PHE 42 2.080 -10.668 10.598 1.00 0.00 ATOM 332 CZ PHE 42 0.954 -10.503 9.835 1.00 0.00 ATOM 333 O PHE 42 2.359 -4.828 14.096 1.00 0.00 ATOM 334 C PHE 42 2.802 -5.975 14.157 1.00 0.00 ATOM 335 N ASN 43 3.919 -6.282 14.813 1.00 0.00 ATOM 336 CA ASN 43 4.657 -5.212 15.470 1.00 0.00 ATOM 337 CB ASN 43 5.489 -5.767 16.628 1.00 0.00 ATOM 338 CG ASN 43 6.620 -6.660 16.157 1.00 0.00 ATOM 339 ND2 ASN 43 7.275 -7.329 17.099 1.00 0.00 ATOM 340 OD1 ASN 43 6.899 -6.745 14.961 1.00 0.00 ATOM 341 O ASN 43 5.621 -4.841 13.296 1.00 0.00 ATOM 342 C ASN 43 5.589 -4.509 14.485 1.00 0.00 ATOM 343 N PRO 44 6.333 -3.533 14.981 1.00 0.00 ATOM 344 CA PRO 44 7.222 -2.689 14.171 1.00 0.00 ATOM 345 CB PRO 44 7.862 -1.759 15.206 1.00 0.00 ATOM 346 CG PRO 44 7.783 -2.540 16.483 1.00 0.00 ATOM 347 CD PRO 44 6.411 -3.145 16.402 1.00 0.00 ATOM 348 O PRO 44 8.666 -2.829 12.274 1.00 0.00 ATOM 349 C PRO 44 8.255 -3.385 13.291 1.00 0.00 ATOM 350 N GLU 45 8.663 -4.591 13.660 1.00 0.00 ATOM 351 CA GLU 45 9.639 -5.338 12.872 1.00 0.00 ATOM 352 CB GLU 45 9.950 -6.680 13.537 1.00 0.00 ATOM 353 CG GLU 45 10.755 -6.564 14.822 1.00 0.00 ATOM 354 CD GLU 45 10.938 -7.900 15.516 1.00 0.00 ATOM 355 OE1 GLU 45 10.375 -8.904 15.033 1.00 0.00 ATOM 356 OE2 GLU 45 11.647 -7.941 16.543 1.00 0.00 ATOM 357 O GLU 45 9.902 -5.591 10.493 1.00 0.00 ATOM 358 C GLU 45 9.135 -5.646 11.446 1.00 0.00 ATOM 359 N PHE 46 7.839 -5.925 11.321 1.00 0.00 ATOM 360 CA PHE 46 7.196 -6.140 10.019 1.00 0.00 ATOM 361 CB PHE 46 5.787 -6.604 10.115 1.00 0.00 ATOM 362 CG PHE 46 5.104 -6.812 8.768 1.00 0.00 ATOM 363 CD1 PHE 46 5.658 -7.626 7.811 1.00 0.00 ATOM 364 CD2 PHE 46 3.911 -6.193 8.476 1.00 0.00 ATOM 365 CE1 PHE 46 5.021 -7.825 6.578 1.00 0.00 ATOM 366 CE2 PHE 46 3.282 -6.396 7.232 1.00 0.00 ATOM 367 CZ PHE 46 3.843 -7.196 6.307 1.00 0.00 ATOM 368 O PHE 46 7.665 -4.846 8.032 1.00 0.00 ATOM 369 C PHE 46 7.249 -4.843 9.197 1.00 0.00 ATOM 370 N LEU 47 6.863 -3.725 9.823 1.00 0.00 ATOM 371 CA LEU 47 6.856 -2.438 9.138 1.00 0.00 ATOM 372 CB LEU 47 5.590 -2.309 8.289 1.00 0.00 ATOM 373 CG LEU 47 5.514 -1.093 7.363 1.00 0.00 ATOM 374 CD1 LEU 47 6.582 -1.172 6.283 1.00 0.00 ATOM 375 CD2 LEU 47 4.156 -1.018 6.685 1.00 0.00 ATOM 376 O LEU 47 5.831 -0.751 10.501 1.00 0.00 ATOM 377 C LEU 47 6.882 -1.297 10.148 1.00 0.00 ATOM 378 N LEU 48 4.605 -0.581 12.848 1.00 0.00 ATOM 379 CA LEU 48 3.537 -1.396 13.448 1.00 0.00 ATOM 380 CB LEU 48 3.090 -0.756 14.737 1.00 0.00 ATOM 381 CG LEU 48 4.160 -0.668 15.867 1.00 0.00 ATOM 382 CD1 LEU 48 3.465 0.186 16.932 1.00 0.00 ATOM 383 CD2 LEU 48 4.456 -2.060 16.347 1.00 0.00 ATOM 384 O LEU 48 1.643 -2.653 12.652 1.00 0.00 ATOM 385 C LEU 48 2.354 -1.639 12.563 1.00 0.00 ATOM 386 N ASN 49 1.538 -2.836 12.150 1.00 0.00 ATOM 387 CA ASN 49 0.679 -2.979 10.983 1.00 0.00 ATOM 388 CB ASN 49 1.489 -3.657 9.868 1.00 0.00 ATOM 389 CG ASN 49 1.122 -3.176 8.479 1.00 0.00 ATOM 390 ND2 ASN 49 2.015 -3.419 7.521 1.00 0.00 ATOM 391 OD1 ASN 49 0.055 -2.609 8.260 1.00 0.00 ATOM 392 O ASN 49 -0.522 -4.625 12.243 1.00 0.00 ATOM 393 C ASN 49 -0.557 -3.787 11.340 1.00 0.00 ATOM 394 N ILE 50 -1.664 -3.502 10.623 1.00 0.00 ATOM 395 CA ILE 50 -2.884 -4.274 10.835 1.00 0.00 ATOM 396 CB ILE 50 -4.016 -3.384 11.385 1.00 0.00 ATOM 397 CG1 ILE 50 -3.630 -2.818 12.753 1.00 0.00 ATOM 398 CG2 ILE 50 -5.297 -4.190 11.540 1.00 0.00 ATOM 399 CD1 ILE 50 -4.592 -1.771 13.271 1.00 0.00 ATOM 400 O ILE 50 -3.389 -4.067 8.506 1.00 0.00 ATOM 401 C ILE 50 -3.288 -4.822 9.478 1.00 0.00 ATOM 402 N VAL 51 -3.459 -6.150 9.279 1.00 0.00 ATOM 403 CA VAL 51 -3.862 -6.729 8.005 1.00 0.00 ATOM 404 CB VAL 51 -2.823 -7.741 7.487 1.00 0.00 ATOM 405 CG1 VAL 51 -3.291 -8.364 6.181 1.00 0.00 ATOM 406 CG2 VAL 51 -1.488 -7.055 7.241 1.00 0.00 ATOM 407 O VAL 51 -5.335 -8.190 9.195 1.00 0.00 ATOM 408 C VAL 51 -5.195 -7.415 8.245 1.00 0.00 ATOM 409 N ASP 52 -6.189 -7.060 7.295 1.00 0.00 ATOM 410 CA ASP 52 -7.447 -7.765 7.522 1.00 0.00 ATOM 411 CB ASP 52 -8.499 -7.266 6.530 1.00 0.00 ATOM 412 CG ASP 52 -8.980 -5.864 6.844 1.00 0.00 ATOM 413 OD1 ASP 52 -8.657 -5.357 7.940 1.00 0.00 ATOM 414 OD2 ASP 52 -9.682 -5.272 5.997 1.00 0.00 ATOM 415 O ASP 52 -6.390 -9.667 6.497 1.00 0.00 ATOM 416 C ASP 52 -7.223 -9.266 7.323 1.00 0.00 ATOM 417 N ARG 53 -7.971 -10.088 8.062 1.00 0.00 ATOM 418 CA ARG 53 -7.816 -11.542 7.978 1.00 0.00 ATOM 419 CB ARG 53 -8.900 -12.203 8.885 1.00 0.00 ATOM 420 CG ARG 53 -8.883 -13.708 8.872 1.00 0.00 ATOM 421 CD ARG 53 -7.648 -14.341 9.514 1.00 0.00 ATOM 422 NE ARG 53 -7.787 -15.784 9.511 1.00 0.00 ATOM 423 CZ ARG 53 -8.559 -16.463 10.362 1.00 0.00 ATOM 424 NH1 ARG 53 -9.136 -15.825 11.363 1.00 0.00 ATOM 425 NH2 ARG 53 -8.696 -17.759 10.193 1.00 0.00 ATOM 426 O ARG 53 -7.184 -13.068 6.240 1.00 0.00 ATOM 427 C ARG 53 -7.918 -12.140 6.579 1.00 0.00 ATOM 428 N VAL 54 -8.843 -11.606 5.776 1.00 0.00 ATOM 429 CA VAL 54 -9.013 -12.103 4.417 1.00 0.00 ATOM 430 CB VAL 54 -10.214 -11.487 3.679 1.00 0.00 ATOM 431 CG1 VAL 54 -10.259 -11.918 2.177 1.00 0.00 ATOM 432 CG2 VAL 54 -11.543 -11.933 4.335 1.00 0.00 ATOM 433 O VAL 54 -7.231 -12.848 2.991 1.00 0.00 ATOM 434 C VAL 54 -7.724 -11.918 3.655 1.00 0.00 ATOM 435 N ASP 55 -7.102 -10.581 3.620 1.00 0.00 ATOM 436 CA ASP 55 -5.888 -10.299 2.882 1.00 0.00 ATOM 437 CB ASP 55 -5.481 -8.834 3.060 1.00 0.00 ATOM 438 CG ASP 55 -6.386 -7.883 2.301 1.00 0.00 ATOM 439 OD1 ASP 55 -7.172 -8.357 1.457 1.00 0.00 ATOM 440 OD2 ASP 55 -6.306 -6.662 2.553 1.00 0.00 ATOM 441 O ASP 55 -3.914 -11.644 2.535 1.00 0.00 ATOM 442 C ASP 55 -4.719 -11.161 3.346 1.00 0.00 ATOM 443 N TRP 56 -4.650 -11.392 4.650 1.00 0.00 ATOM 444 CA TRP 56 -3.568 -12.180 5.232 1.00 0.00 ATOM 445 CB TRP 56 -3.796 -12.484 6.694 1.00 0.00 ATOM 446 CG TRP 56 -2.717 -13.333 7.306 1.00 0.00 ATOM 447 CD1 TRP 56 -2.895 -14.439 8.089 1.00 0.00 ATOM 448 CD2 TRP 56 -1.297 -13.149 7.193 1.00 0.00 ATOM 449 CE2 TRP 56 -0.683 -14.186 7.934 1.00 0.00 ATOM 450 CE3 TRP 56 -0.484 -12.211 6.537 1.00 0.00 ATOM 451 NE1 TRP 56 -1.682 -14.956 8.470 1.00 0.00 ATOM 452 CZ2 TRP 56 0.709 -14.314 8.038 1.00 0.00 ATOM 453 CZ3 TRP 56 0.901 -12.339 6.643 1.00 0.00 ATOM 454 CH2 TRP 56 1.482 -13.384 7.387 1.00 0.00 ATOM 455 O TRP 56 -2.430 -14.029 4.189 1.00 0.00 ATOM 456 C TRP 56 -3.486 -13.601 4.659 1.00 0.00 ATOM 457 N PRO 57 -4.598 -14.364 4.688 1.00 0.00 ATOM 458 CA PRO 57 -4.516 -15.716 4.139 1.00 0.00 ATOM 459 CB PRO 57 -5.894 -16.284 4.321 1.00 0.00 ATOM 460 CG PRO 57 -6.318 -15.657 5.621 1.00 0.00 ATOM 461 CD PRO 57 -5.897 -14.218 5.432 1.00 0.00 ATOM 462 O PRO 57 -3.479 -16.569 2.145 1.00 0.00 ATOM 463 C PRO 57 -4.208 -15.708 2.639 1.00 0.00 ATOM 464 N ALA 58 -4.773 -14.737 1.905 1.00 0.00 ATOM 465 CA ALA 58 -4.539 -14.646 0.468 1.00 0.00 ATOM 466 CB ALA 58 -5.329 -13.489 -0.125 1.00 0.00 ATOM 467 O ALA 58 -2.513 -15.009 -0.796 1.00 0.00 ATOM 468 C ALA 58 -3.052 -14.416 0.148 1.00 0.00 ATOM 469 N VAL 59 -2.399 -13.572 0.946 1.00 0.00 ATOM 470 CA VAL 59 -0.956 -13.353 0.837 1.00 0.00 ATOM 471 CB VAL 59 -0.434 -12.330 1.776 1.00 0.00 ATOM 472 CG1 VAL 59 1.098 -12.278 1.736 1.00 0.00 ATOM 473 CG2 VAL 59 -0.988 -10.999 1.329 1.00 0.00 ATOM 474 O VAL 59 0.642 -15.104 0.382 1.00 0.00 ATOM 475 C VAL 59 -0.208 -14.651 1.164 1.00 0.00 ATOM 476 N LEU 60 -0.561 -15.263 2.292 1.00 0.00 ATOM 477 CA LEU 60 0.056 -16.531 2.662 1.00 0.00 ATOM 478 CB LEU 60 -0.608 -17.108 3.913 1.00 0.00 ATOM 479 CG LEU 60 -0.047 -18.435 4.429 1.00 0.00 ATOM 480 CD1 LEU 60 1.407 -18.275 4.849 1.00 0.00 ATOM 481 CD2 LEU 60 -0.839 -18.922 5.633 1.00 0.00 ATOM 482 O LEU 60 0.902 -18.326 1.309 1.00 0.00 ATOM 483 C LEU 60 -0.054 -17.591 1.561 1.00 0.00 ATOM 484 N THR 61 -1.218 -17.671 0.917 1.00 0.00 ATOM 485 CA THR 61 -1.411 -18.578 -0.221 1.00 0.00 ATOM 486 CB THR 61 -2.861 -18.537 -0.737 1.00 0.00 ATOM 487 CG2 THR 61 -3.025 -19.452 -1.941 1.00 0.00 ATOM 488 OG1 THR 61 -3.752 -18.971 0.300 1.00 0.00 ATOM 489 O THR 61 0.201 -18.984 -1.968 1.00 0.00 ATOM 490 C THR 61 -0.491 -18.153 -1.363 1.00 0.00 ATOM 491 N VAL 62 -0.425 -16.885 -1.630 1.00 0.00 ATOM 492 CA VAL 62 0.431 -16.431 -2.680 1.00 0.00 ATOM 493 CB VAL 62 0.173 -14.939 -2.961 1.00 0.00 ATOM 494 CG1 VAL 62 1.241 -14.380 -3.889 1.00 0.00 ATOM 495 CG2 VAL 62 -1.184 -14.746 -3.618 1.00 0.00 ATOM 496 O VAL 62 2.745 -16.912 -3.099 1.00 0.00 ATOM 497 C VAL 62 1.896 -16.563 -2.279 1.00 0.00 ATOM 498 N ALA 63 2.186 -16.287 -1.010 1.00 0.00 ATOM 499 CA ALA 63 3.541 -16.399 -0.489 1.00 0.00 ATOM 500 CB ALA 63 3.569 -16.074 0.995 1.00 0.00 ATOM 501 O ALA 63 5.228 -18.015 -1.071 1.00 0.00 ATOM 502 C ALA 63 4.075 -17.818 -0.684 1.00 0.00 ATOM 503 N ALA 64 3.220 -18.806 -0.422 1.00 0.00 ATOM 504 CA ALA 64 3.579 -20.212 -0.566 1.00 0.00 ATOM 505 CB ALA 64 2.453 -21.101 -0.065 1.00 0.00 ATOM 506 O ALA 64 4.823 -21.320 -2.292 1.00 0.00 ATOM 507 C ALA 64 3.865 -20.599 -2.014 1.00 0.00 ATOM 508 N GLU 65 3.013 -20.130 -2.934 1.00 0.00 ATOM 509 CA GLU 65 3.185 -20.426 -4.349 1.00 0.00 ATOM 510 CB GLU 65 1.984 -19.944 -5.166 1.00 0.00 ATOM 511 CG GLU 65 0.711 -20.739 -4.924 1.00 0.00 ATOM 512 CD GLU 65 -0.479 -20.177 -5.679 1.00 0.00 ATOM 513 OE1 GLU 65 -0.321 -19.130 -6.340 1.00 0.00 ATOM 514 OE2 GLU 65 -1.567 -20.785 -5.609 1.00 0.00 ATOM 515 O GLU 65 5.105 -20.282 -5.792 1.00 0.00 ATOM 516 C GLU 65 4.443 -19.745 -4.908 1.00 0.00 ATOM 517 N LEU 66 4.771 -18.571 -4.381 1.00 0.00 ATOM 518 CA LEU 66 5.970 -17.841 -4.801 1.00 0.00 ATOM 519 CB LEU 66 5.855 -16.362 -4.424 1.00 0.00 ATOM 520 CG LEU 66 4.735 -15.574 -5.104 1.00 0.00 ATOM 521 CD1 LEU 66 4.670 -14.155 -4.560 1.00 0.00 ATOM 522 CD2 LEU 66 4.967 -15.497 -6.605 1.00 0.00 ATOM 523 O LEU 66 8.333 -18.161 -4.512 1.00 0.00 ATOM 524 C LEU 66 7.198 -18.438 -4.122 1.00 0.00 ATOM 525 N GLY 67 6.913 -19.240 -3.130 1.00 0.00 ATOM 526 CA GLY 67 8.024 -19.855 -2.425 1.00 0.00 ATOM 527 O GLY 67 9.989 -19.024 -1.353 1.00 0.00 ATOM 528 C GLY 67 8.797 -18.850 -1.572 1.00 0.00 ATOM 529 N ASN 68 8.138 -17.828 -1.051 1.00 0.00 ATOM 530 CA ASN 68 8.799 -16.806 -0.246 1.00 0.00 ATOM 531 CB ASN 68 8.526 -15.414 -0.820 1.00 0.00 ATOM 532 CG ASN 68 9.291 -14.324 -0.094 1.00 0.00 ATOM 533 ND2 ASN 68 9.479 -13.190 -0.759 1.00 0.00 ATOM 534 OD1 ASN 68 9.706 -14.502 1.051 1.00 0.00 ATOM 535 O ASN 68 7.099 -16.457 1.396 1.00 0.00 ATOM 536 C ASN 68 8.201 -16.948 1.143 1.00 0.00 ATOM 537 N ASN 69 8.930 -17.609 2.045 1.00 0.00 ATOM 538 CA ASN 69 8.430 -17.822 3.401 1.00 0.00 ATOM 539 CB ASN 69 9.092 -19.053 4.021 1.00 0.00 ATOM 540 CG ASN 69 8.641 -20.347 3.372 1.00 0.00 ATOM 541 ND2 ASN 69 9.457 -21.386 3.498 1.00 0.00 ATOM 542 OD1 ASN 69 7.572 -20.407 2.765 1.00 0.00 ATOM 543 O ASN 69 7.819 -16.275 5.135 1.00 0.00 ATOM 544 C ASN 69 8.647 -16.589 4.277 1.00 0.00 ATOM 545 N ALA 70 9.731 -15.864 4.030 1.00 0.00 ATOM 546 CA ALA 70 10.067 -14.693 4.837 1.00 0.00 ATOM 547 CB ALA 70 11.368 -14.071 4.334 1.00 0.00 ATOM 548 O ALA 70 8.501 -13.206 5.828 1.00 0.00 ATOM 549 C ALA 70 9.230 -13.415 4.855 1.00 0.00 ATOM 550 N LEU 71 9.311 -12.583 3.719 1.00 0.00 ATOM 551 CA LEU 71 8.499 -11.355 3.732 1.00 0.00 ATOM 552 CB LEU 71 9.398 -10.328 3.041 1.00 0.00 ATOM 553 CG LEU 71 8.917 -8.877 3.068 1.00 0.00 ATOM 554 CD1 LEU 71 8.829 -8.367 4.499 1.00 0.00 ATOM 555 CD2 LEU 71 9.873 -7.978 2.301 1.00 0.00 ATOM 556 O LEU 71 7.148 -11.899 1.823 1.00 0.00 ATOM 557 C LEU 71 7.162 -11.579 3.024 1.00 0.00 ATOM 558 N PRO 72 6.034 -11.428 3.731 1.00 0.00 ATOM 559 CA PRO 72 4.731 -11.607 3.095 1.00 0.00 ATOM 560 CB PRO 72 3.748 -11.228 4.190 1.00 0.00 ATOM 561 CG PRO 72 4.444 -11.541 5.450 1.00 0.00 ATOM 562 CD PRO 72 5.881 -11.156 5.173 1.00 0.00 ATOM 563 O PRO 72 4.667 -9.515 1.912 1.00 0.00 ATOM 564 C PRO 72 4.524 -10.742 1.857 1.00 0.00 ATOM 565 N PRO 73 4.208 -11.378 0.714 1.00 0.00 ATOM 566 CA PRO 73 3.985 -10.668 -0.549 1.00 0.00 ATOM 567 CB PRO 73 4.188 -11.746 -1.615 1.00 0.00 ATOM 568 CG PRO 73 3.746 -13.010 -0.958 1.00 0.00 ATOM 569 CD PRO 73 4.162 -12.899 0.482 1.00 0.00 ATOM 570 O PRO 73 1.684 -10.664 -1.199 1.00 0.00 ATOM 571 C PRO 73 2.585 -10.079 -0.609 1.00 0.00 ATOM 572 N THR 74 2.393 -8.939 0.041 1.00 0.00 ATOM 573 CA THR 74 1.083 -8.295 0.030 1.00 0.00 ATOM 574 CB THR 74 0.023 -9.210 0.643 1.00 0.00 ATOM 575 CG2 THR 74 0.190 -9.275 2.155 1.00 0.00 ATOM 576 OG1 THR 74 -1.243 -8.641 0.307 1.00 0.00 ATOM 577 O THR 74 2.109 -6.709 1.504 1.00 0.00 ATOM 578 C THR 74 1.163 -6.959 0.753 1.00 0.00 ATOM 579 N LYS 75 0.194 -6.092 0.498 1.00 0.00 ATOM 580 CA LYS 75 0.168 -4.786 1.134 1.00 0.00 ATOM 581 CB LYS 75 -0.301 -3.718 0.144 1.00 0.00 ATOM 582 CG LYS 75 0.571 -3.591 -1.093 1.00 0.00 ATOM 583 CD LYS 75 1.960 -3.084 -0.741 1.00 0.00 ATOM 584 CE LYS 75 2.824 -2.932 -1.982 1.00 0.00 ATOM 585 NZ LYS 75 4.184 -2.424 -1.653 1.00 0.00 ATOM 586 O LYS 75 -2.003 -4.984 2.135 1.00 0.00 ATOM 587 C LYS 75 -0.796 -4.843 2.320 1.00 0.00 ATOM 588 N PRO 76 -0.278 -4.755 3.556 1.00 0.00 ATOM 589 CA PRO 76 -1.197 -4.807 4.705 1.00 0.00 ATOM 590 CB PRO 76 -0.305 -4.483 5.906 1.00 0.00 ATOM 591 CG PRO 76 1.058 -4.921 5.488 1.00 0.00 ATOM 592 CD PRO 76 1.176 -4.581 4.029 1.00 0.00 ATOM 593 O PRO 76 -2.156 -2.767 3.873 1.00 0.00 ATOM 594 C PRO 76 -2.338 -3.800 4.524 1.00 0.00 ATOM 595 N SER 77 -3.513 -4.113 5.043 1.00 0.00 ATOM 596 CA SER 77 -4.639 -3.189 4.905 1.00 0.00 ATOM 597 CB SER 77 -5.879 -3.756 5.600 1.00 0.00 ATOM 598 OG SER 77 -6.353 -4.913 4.932 1.00 0.00 ATOM 599 O SER 77 -4.429 -0.802 4.903 1.00 0.00 ATOM 600 C SER 77 -4.246 -1.844 5.529 1.00 0.00 ATOM 601 N PHE 78 -3.496 -1.587 7.019 1.00 0.00 ATOM 602 CA PHE 78 -3.099 -0.360 7.722 1.00 0.00 ATOM 603 CB PHE 78 -4.114 -0.111 8.839 1.00 0.00 ATOM 604 CG PHE 78 -3.898 1.179 9.578 1.00 0.00 ATOM 605 CD1 PHE 78 -4.429 2.364 9.100 1.00 0.00 ATOM 606 CD2 PHE 78 -3.165 1.207 10.751 1.00 0.00 ATOM 607 CE1 PHE 78 -4.231 3.551 9.780 1.00 0.00 ATOM 608 CE2 PHE 78 -2.966 2.393 11.431 1.00 0.00 ATOM 609 CZ PHE 78 -3.496 3.562 10.950 1.00 0.00 ATOM 610 O PHE 78 -1.625 -0.748 9.583 1.00 0.00 ATOM 611 C PHE 78 -1.778 -0.219 8.493 1.00 0.00 ATOM 612 N PRO 79 -0.879 0.501 8.056 1.00 0.00 ATOM 613 CA PRO 79 0.416 0.669 8.724 1.00 0.00 ATOM 614 CB PRO 79 1.372 0.823 7.505 1.00 0.00 ATOM 615 CG PRO 79 0.564 1.717 6.641 1.00 0.00 ATOM 616 CD PRO 79 -0.839 1.056 6.714 1.00 0.00 ATOM 617 O PRO 79 -0.411 2.687 9.723 1.00 0.00 ATOM 618 C PRO 79 0.473 1.789 9.719 1.00 0.00 ATOM 619 N SER 80 1.589 1.774 10.565 1.00 0.00 ATOM 620 CA SER 80 1.727 2.819 11.582 1.00 0.00 ATOM 621 CB SER 80 1.184 2.334 12.928 1.00 0.00 ATOM 622 OG SER 80 -0.197 2.030 12.840 1.00 0.00 ATOM 623 O SER 80 4.043 2.167 11.683 1.00 0.00 ATOM 624 C SER 80 3.232 3.099 11.660 1.00 0.00 ATOM 625 N SER 81 3.584 4.379 11.694 1.00 0.00 ATOM 626 CA SER 81 4.967 4.823 11.796 1.00 0.00 ATOM 627 CB SER 81 5.418 5.472 10.485 1.00 0.00 ATOM 628 OG SER 81 6.762 5.919 10.574 1.00 0.00 ATOM 629 O SER 81 4.260 6.778 13.019 1.00 0.00 ATOM 630 C SER 81 5.060 5.846 12.935 1.00 0.00 ATOM 631 N ILE 82 6.012 5.651 13.831 1.00 0.00 ATOM 632 CA ILE 82 6.176 6.570 14.947 1.00 0.00 ATOM 633 CB ILE 82 6.235 5.821 16.291 1.00 0.00 ATOM 634 CG1 ILE 82 4.940 5.041 16.524 1.00 0.00 ATOM 635 CG2 ILE 82 6.420 6.802 17.439 1.00 0.00 ATOM 636 CD1 ILE 82 4.994 4.109 17.716 1.00 0.00 ATOM 637 O ILE 82 8.539 6.756 14.630 1.00 0.00 ATOM 638 C ILE 82 7.467 7.337 14.755 1.00 0.00 ATOM 639 N GLN 83 7.358 8.653 14.713 1.00 0.00 ATOM 640 CA GLN 83 8.535 9.464 14.505 1.00 0.00 ATOM 641 CB GLN 83 8.150 10.937 14.354 1.00 0.00 ATOM 642 CG GLN 83 9.323 11.857 14.058 1.00 0.00 ATOM 643 CD GLN 83 8.891 13.287 13.798 1.00 0.00 ATOM 644 OE1 GLN 83 7.702 13.603 13.836 1.00 0.00 ATOM 645 NE2 GLN 83 9.858 14.158 13.531 1.00 0.00 ATOM 646 O GLN 83 9.195 9.809 16.732 1.00 0.00 ATOM 647 C GLN 83 9.521 9.399 15.632 1.00 0.00 ATOM 648 N GLU 84 10.738 8.827 15.248 1.00 0.00 ATOM 649 CA GLU 84 11.803 8.735 16.242 1.00 0.00 ATOM 650 CB GLU 84 12.746 7.594 15.855 1.00 0.00 ATOM 651 CG GLU 84 13.694 7.931 14.717 1.00 0.00 ATOM 652 CD GLU 84 13.008 7.928 13.365 1.00 0.00 ATOM 653 OE1 GLU 84 11.797 7.624 13.316 1.00 0.00 ATOM 654 OE2 GLU 84 13.679 8.227 12.357 1.00 0.00 ATOM 655 O GLU 84 12.491 10.852 15.309 1.00 0.00 ATOM 656 C GLU 84 12.565 10.068 16.265 1.00 0.00 ATOM 657 N LEU 85 13.302 10.327 17.341 1.00 0.00 ATOM 658 CA LEU 85 14.032 11.591 17.449 1.00 0.00 ATOM 659 CB LEU 85 14.780 11.663 18.782 1.00 0.00 ATOM 660 CG LEU 85 13.915 11.756 20.041 1.00 0.00 ATOM 661 CD1 LEU 85 14.777 11.686 21.292 1.00 0.00 ATOM 662 CD2 LEU 85 13.144 13.067 20.068 1.00 0.00 ATOM 663 O LEU 85 15.494 12.975 16.157 1.00 0.00 ATOM 664 C LEU 85 15.081 11.833 16.367 1.00 0.00 ATOM 665 N THR 86 15.577 10.704 15.696 1.00 0.00 ATOM 666 CA THR 86 16.560 10.884 14.628 1.00 0.00 ATOM 667 CB THR 86 17.504 9.673 14.518 1.00 0.00 ATOM 668 CG2 THR 86 18.247 9.456 15.827 1.00 0.00 ATOM 669 OG1 THR 86 16.744 8.497 14.215 1.00 0.00 ATOM 670 O THR 86 16.581 11.315 12.265 1.00 0.00 ATOM 671 C THR 86 15.898 11.120 13.272 1.00 0.00 ATOM 672 N ASP 87 14.580 11.103 13.205 1.00 0.00 ATOM 673 CA ASP 87 13.875 11.313 11.947 1.00 0.00 ATOM 674 CB ASP 87 13.113 10.512 11.319 1.00 0.00 ATOM 675 CG ASP 87 14.042 9.785 10.369 1.00 0.00 ATOM 676 OD1 ASP 87 14.827 10.464 9.671 1.00 0.00 ATOM 677 OD2 ASP 87 13.985 8.535 10.316 1.00 0.00 ATOM 678 O ASP 87 12.639 13.228 12.743 1.00 0.00 ATOM 679 C ASP 87 13.234 12.698 11.799 1.00 0.00 ATOM 680 N ASP 88 13.373 13.288 10.604 1.00 0.00 ATOM 681 CA ASP 88 12.776 14.585 10.341 1.00 0.00 ATOM 682 CB ASP 88 13.231 15.118 8.982 1.00 0.00 ATOM 683 CG ASP 88 14.674 15.583 8.991 1.00 0.00 ATOM 684 OD1 ASP 88 15.261 15.673 10.090 1.00 0.00 ATOM 685 OD2 ASP 88 15.218 15.857 7.901 1.00 0.00 ATOM 686 O ASP 88 10.658 13.628 9.704 1.00 0.00 ATOM 687 C ASP 88 11.248 14.528 10.323 1.00 0.00 ATOM 688 N ASP 89 10.575 15.465 10.947 1.00 0.00 ATOM 689 CA ASP 89 9.141 15.440 11.076 1.00 0.00 ATOM 690 CB ASP 89 8.709 16.959 11.644 1.00 0.00 ATOM 691 CG ASP 89 9.374 17.533 12.868 1.00 0.00 ATOM 692 OD1 ASP 89 9.452 16.828 13.890 1.00 0.00 ATOM 693 OD2 ASP 89 9.793 18.704 12.813 1.00 0.00 ATOM 694 O ASP 89 7.418 15.085 9.464 1.00 0.00 ATOM 695 C ASP 89 8.453 15.692 9.738 1.00 0.00 ATOM 696 N MET 90 8.919 16.628 8.953 1.00 0.00 ATOM 697 CA MET 90 8.210 17.165 7.828 1.00 0.00 ATOM 698 CB MET 90 8.458 18.670 7.695 1.00 0.00 ATOM 699 CG MET 90 7.882 19.496 8.833 1.00 0.00 ATOM 700 SD MET 90 8.299 21.244 8.705 1.00 0.00 ATOM 701 CE MET 90 7.270 21.739 7.324 1.00 0.00 ATOM 702 O MET 90 7.788 16.498 5.572 1.00 0.00 ATOM 703 C MET 90 8.602 16.543 6.500 1.00 0.00 ATOM 704 N ALA 91 9.829 16.092 6.370 1.00 0.00 ATOM 705 CA ALA 91 10.349 15.614 5.097 1.00 0.00 ATOM 706 CB ALA 91 11.854 15.374 5.200 1.00 0.00 ATOM 707 O ALA 91 9.574 14.140 3.387 1.00 0.00 ATOM 708 C ALA 91 9.661 14.362 4.599 1.00 0.00 ATOM 709 N ILE 92 10.361 13.265 5.748 1.00 0.00 ATOM 710 CA ILE 92 10.647 11.868 5.463 1.00 0.00 ATOM 711 CB ILE 92 11.785 11.333 6.352 1.00 0.00 ATOM 712 CG1 ILE 92 13.093 12.063 6.041 1.00 0.00 ATOM 713 CG2 ILE 92 11.994 9.845 6.110 1.00 0.00 ATOM 714 CD1 ILE 92 14.205 11.772 7.025 1.00 0.00 ATOM 715 O ILE 92 9.035 10.146 4.943 1.00 0.00 ATOM 716 C ILE 92 9.393 11.041 5.724 1.00 0.00 ATOM 717 N LEU 93 8.708 11.375 6.809 1.00 0.00 ATOM 718 CA LEU 93 7.505 10.668 7.177 1.00 0.00 ATOM 719 CB LEU 93 6.965 11.042 8.527 1.00 0.00 ATOM 720 CG LEU 93 7.865 10.521 9.651 1.00 0.00 ATOM 721 CD1 LEU 93 7.253 10.997 10.939 1.00 0.00 ATOM 722 CD2 LEU 93 8.036 9.003 9.620 1.00 0.00 ATOM 723 O LEU 93 5.662 9.996 5.750 1.00 0.00 ATOM 724 C LEU 93 6.410 10.905 6.123 1.00 0.00 ATOM 725 N ASN 94 6.279 12.148 5.627 1.00 0.00 ATOM 726 CA ASN 94 5.288 12.450 4.617 1.00 0.00 ATOM 727 CB ASN 94 5.322 13.937 4.261 1.00 0.00 ATOM 728 CG ASN 94 4.737 14.811 5.354 1.00 0.00 ATOM 729 ND2 ASN 94 5.082 16.094 5.332 1.00 0.00 ATOM 730 OD1 ASN 94 3.987 14.338 6.207 1.00 0.00 ATOM 731 O ASN 94 4.633 11.140 2.708 1.00 0.00 ATOM 732 C ASN 94 5.562 11.644 3.357 1.00 0.00 ATOM 733 N ASP 95 6.846 11.471 3.045 1.00 0.00 ATOM 734 CA ASP 95 7.257 10.693 1.886 1.00 0.00 ATOM 735 CB ASP 95 8.759 10.851 1.639 1.00 0.00 ATOM 736 CG ASP 95 9.119 12.215 1.083 1.00 0.00 ATOM 737 OD1 ASP 95 8.198 12.945 0.658 1.00 0.00 ATOM 738 OD2 ASP 95 10.320 12.554 1.071 1.00 0.00 ATOM 739 O ASP 95 6.498 8.548 1.151 1.00 0.00 ATOM 740 C ASP 95 6.969 9.206 2.077 1.00 0.00 ATOM 741 N LEU 96 7.207 8.685 3.278 1.00 0.00 ATOM 742 CA LEU 96 6.941 7.275 3.534 1.00 0.00 ATOM 743 CB LEU 96 7.505 6.782 4.861 1.00 0.00 ATOM 744 CG LEU 96 7.290 5.319 5.268 1.00 0.00 ATOM 745 CD1 LEU 96 7.925 4.317 4.276 1.00 0.00 ATOM 746 CD2 LEU 96 7.815 5.012 6.656 1.00 0.00 ATOM 747 O LEU 96 5.090 5.852 2.912 1.00 0.00 ATOM 748 C LEU 96 5.458 6.881 3.488 1.00 0.00 ATOM 749 N HIS 97 4.609 7.709 4.095 1.00 0.00 ATOM 750 CA HIS 97 3.177 7.440 4.117 1.00 0.00 ATOM 751 CB HIS 97 2.410 8.298 5.038 1.00 0.00 ATOM 752 CG HIS 97 2.669 7.920 6.454 1.00 0.00 ATOM 753 CD2 HIS 97 3.416 8.488 7.429 1.00 0.00 ATOM 754 ND1 HIS 97 2.269 6.686 6.942 1.00 0.00 ATOM 755 CE1 HIS 97 2.663 6.575 8.206 1.00 0.00 ATOM 756 NE2 HIS 97 3.317 7.670 8.545 1.00 0.00 ATOM 757 O HIS 97 1.728 6.599 2.365 1.00 0.00 ATOM 758 C HIS 97 2.614 7.410 2.684 1.00 0.00 ATOM 759 N THR 98 3.145 8.275 1.819 1.00 0.00 ATOM 760 CA THR 98 2.722 8.312 0.429 1.00 0.00 ATOM 761 CB THR 98 3.210 9.651 -0.221 1.00 0.00 ATOM 762 CG2 THR 98 2.852 9.704 -1.697 1.00 0.00 ATOM 763 OG1 THR 98 2.607 10.762 0.456 1.00 0.00 ATOM 764 O THR 98 2.390 6.523 -1.166 1.00 0.00 ATOM 765 C THR 98 3.122 7.032 -0.297 1.00 0.00 ATOM 766 N LEU 99 4.294 6.509 0.043 1.00 0.00 ATOM 767 CA LEU 99 4.742 5.251 -0.550 1.00 0.00 ATOM 768 CB LEU 99 6.150 4.901 -0.065 1.00 0.00 ATOM 769 CG LEU 99 7.284 5.795 -0.573 1.00 0.00 ATOM 770 CD1 LEU 99 8.591 5.453 0.125 1.00 0.00 ATOM 771 CD2 LEU 99 7.481 5.614 -2.070 1.00 0.00 ATOM 772 O LEU 99 3.371 3.295 -0.952 1.00 0.00 ATOM 773 C LEU 99 3.766 4.127 -0.136 1.00 0.00 ATOM 774 N LEU 100 3.361 4.123 1.131 1.00 0.00 ATOM 775 CA LEU 100 2.420 3.111 1.611 1.00 0.00 ATOM 776 CB LEU 100 2.127 3.316 3.099 1.00 0.00 ATOM 777 CG LEU 100 3.275 3.017 4.064 1.00 0.00 ATOM 778 CD1 LEU 100 2.910 3.434 5.481 1.00 0.00 ATOM 779 CD2 LEU 100 3.597 1.531 4.073 1.00 0.00 ATOM 780 O LEU 100 0.569 2.179 0.428 1.00 0.00 ATOM 781 C LEU 100 1.109 3.193 0.850 1.00 0.00 ATOM 782 N LEU 101 0.613 4.396 0.693 1.00 0.00 ATOM 783 CA LEU 101 -0.667 4.578 0.025 1.00 0.00 ATOM 784 CB LEU 101 -1.174 6.013 0.192 1.00 0.00 ATOM 785 CG LEU 101 -2.528 6.332 -0.441 1.00 0.00 ATOM 786 CD1 LEU 101 -3.622 5.464 0.164 1.00 0.00 ATOM 787 CD2 LEU 101 -2.899 7.789 -0.212 1.00 0.00 ATOM 788 O LEU 101 -1.539 3.684 -2.007 1.00 0.00 ATOM 789 C LEU 101 -0.628 4.307 -1.466 1.00 0.00 ATOM 790 N GLN 102 0.422 4.766 -2.135 1.00 0.00 ATOM 791 CA GLN 102 0.545 4.550 -3.573 1.00 0.00 ATOM 792 CB GLN 102 1.695 5.381 -4.144 1.00 0.00 ATOM 793 CG GLN 102 1.444 6.880 -4.131 1.00 0.00 ATOM 794 CD GLN 102 2.615 7.672 -4.679 1.00 0.00 ATOM 795 OE1 GLN 102 3.617 7.099 -5.106 1.00 0.00 ATOM 796 NE2 GLN 102 2.490 8.994 -4.670 1.00 0.00 ATOM 797 O GLN 102 0.691 2.646 -5.028 1.00 0.00 ATOM 798 C GLN 102 0.819 3.070 -3.871 1.00 0.00 ATOM 799 N THR 103 1.202 2.382 -2.861 1.00 0.00 ATOM 800 CA THR 103 1.460 0.940 -2.990 1.00 0.00 ATOM 801 CB THR 103 2.628 0.493 -2.092 1.00 0.00 ATOM 802 CG2 THR 103 3.941 1.059 -2.607 1.00 0.00 ATOM 803 OG1 THR 103 2.412 0.961 -0.756 1.00 0.00 ATOM 804 O THR 103 0.305 -1.122 -2.681 1.00 0.00 ATOM 805 C THR 103 0.249 0.102 -2.597 1.00 0.00 ATOM 806 N SER 104 -0.922 0.708 -2.069 1.00 0.00 ATOM 807 CA SER 104 -2.132 -0.026 -1.727 1.00 0.00 ATOM 808 CB SER 104 -1.973 -1.509 -2.068 1.00 0.00 ATOM 809 OG SER 104 -1.807 -1.697 -3.463 1.00 0.00 ATOM 810 O SER 104 -3.661 -0.574 0.017 1.00 0.00 ATOM 811 C SER 104 -2.605 -0.031 -0.282 1.00 0.00 ATOM 812 N ILE 105 -1.832 0.543 0.629 1.00 0.00 ATOM 813 CA ILE 105 -2.262 0.594 2.023 1.00 0.00 ATOM 814 CB ILE 105 -1.155 1.154 2.934 1.00 0.00 ATOM 815 CG1 ILE 105 0.084 0.257 2.885 1.00 0.00 ATOM 816 CG2 ILE 105 -1.638 1.230 4.375 1.00 0.00 ATOM 817 CD1 ILE 105 -0.159 -1.146 3.398 1.00 0.00 ATOM 818 O ILE 105 -3.505 2.563 1.463 1.00 0.00 ATOM 819 C ILE 105 -3.503 1.504 2.086 1.00 0.00 ATOM 820 N ALA 106 -4.541 1.102 2.836 1.00 0.00 ATOM 821 CA ALA 106 -5.788 1.890 2.945 1.00 0.00 ATOM 822 CB ALA 106 -6.967 0.983 3.263 1.00 0.00 ATOM 823 O ALA 106 -6.190 4.039 3.869 1.00 0.00 ATOM 824 C ALA 106 -5.647 2.905 4.047 1.00 0.00 ATOM 825 N GLU 107 -5.154 2.304 5.282 1.00 0.00 ATOM 826 CA GLU 107 -5.025 3.279 6.367 1.00 0.00 ATOM 827 CB GLU 107 -5.910 2.883 7.551 1.00 0.00 ATOM 828 CG GLU 107 -7.401 2.948 7.259 1.00 0.00 ATOM 829 CD GLU 107 -8.246 2.622 8.474 1.00 0.00 ATOM 830 OE1 GLU 107 -7.666 2.374 9.552 1.00 0.00 ATOM 831 OE2 GLU 107 -9.489 2.616 8.350 1.00 0.00 ATOM 832 O GLU 107 -2.831 2.398 6.675 1.00 0.00 ATOM 833 C GLU 107 -3.557 3.406 6.712 1.00 0.00 ATOM 834 N GLY 108 -3.077 4.608 6.914 1.00 0.00 ATOM 835 CA GLY 108 -1.706 4.781 7.344 1.00 0.00 ATOM 836 O GLY 108 -2.390 6.844 8.326 1.00 0.00 ATOM 837 C GLY 108 -1.787 5.780 8.481 1.00 0.00 ATOM 838 N GLU 109 -1.196 5.431 9.620 1.00 0.00 ATOM 839 CA GLU 109 -1.230 6.290 10.795 1.00 0.00 ATOM 840 CB GLU 109 -1.918 5.566 11.955 1.00 0.00 ATOM 841 CG GLU 109 -2.064 6.409 13.211 1.00 0.00 ATOM 842 CD GLU 109 -2.751 5.659 14.337 1.00 0.00 ATOM 843 OE1 GLU 109 -3.048 4.460 14.158 1.00 0.00 ATOM 844 OE2 GLU 109 -2.993 6.272 15.398 1.00 0.00 ATOM 845 O GLU 109 1.086 5.824 11.267 1.00 0.00 ATOM 846 C GLU 109 0.214 6.677 11.148 1.00 0.00 ATOM 847 N MET 110 0.461 7.984 11.244 1.00 0.00 ATOM 848 CA MET 110 1.784 8.470 11.608 1.00 0.00 ATOM 849 CB MET 110 2.283 9.445 10.540 1.00 0.00 ATOM 850 CG MET 110 3.620 10.091 10.865 1.00 0.00 ATOM 851 SD MET 110 4.968 8.897 10.941 1.00 0.00 ATOM 852 CE MET 110 5.188 8.523 9.204 1.00 0.00 ATOM 853 O MET 110 0.932 10.143 13.079 1.00 0.00 ATOM 854 C MET 110 1.678 9.174 12.946 1.00 0.00 ATOM 855 N LYS 111 2.431 8.700 13.984 1.00 0.00 ATOM 856 CA LYS 111 2.362 9.308 15.295 1.00 0.00 ATOM 857 CB LYS 111 2.276 8.228 16.376 1.00 0.00 ATOM 858 CG LYS 111 2.241 8.772 17.794 1.00 0.00 ATOM 859 CD LYS 111 2.182 7.648 18.816 1.00 0.00 ATOM 860 CE LYS 111 2.166 8.191 20.235 1.00 0.00 ATOM 861 NZ LYS 111 2.083 7.102 21.246 1.00 0.00 ATOM 862 O LYS 111 4.752 9.614 15.141 1.00 0.00 ATOM 863 C LYS 111 3.673 10.097 15.474 1.00 0.00 ATOM 864 N CYS 112 3.558 11.340 15.925 1.00 0.00 ATOM 865 CA CYS 112 4.729 12.163 16.166 1.00 0.00 ATOM 866 CB CYS 112 4.662 13.453 15.344 1.00 0.00 ATOM 867 SG CYS 112 6.066 14.567 15.586 1.00 0.00 ATOM 868 O CYS 112 3.999 13.369 18.104 1.00 0.00 ATOM 869 C CYS 112 4.694 12.454 17.653 1.00 0.00 ATOM 870 N ARG 113 5.446 11.675 18.438 1.00 0.00 ATOM 871 CA ARG 113 5.457 11.882 19.883 1.00 0.00 ATOM 872 CB ARG 113 6.300 10.808 20.572 1.00 0.00 ATOM 873 CG ARG 113 6.303 10.901 22.090 1.00 0.00 ATOM 874 CD ARG 113 7.015 9.712 22.715 1.00 0.00 ATOM 875 NE ARG 113 7.106 9.830 24.167 1.00 0.00 ATOM 876 CZ ARG 113 7.774 8.984 24.945 1.00 0.00 ATOM 877 NH1 ARG 113 7.799 9.170 26.259 1.00 0.00 ATOM 878 NH2 ARG 113 8.412 7.954 24.409 1.00 0.00 ATOM 879 O ARG 113 5.637 13.784 21.304 1.00 0.00 ATOM 880 C ARG 113 6.063 13.210 20.309 1.00 0.00 ATOM 881 N ASN 114 6.964 13.719 19.525 1.00 0.00 ATOM 882 CA ASN 114 7.600 15.007 19.824 1.00 0.00 ATOM 883 CB ASN 114 8.755 15.248 18.850 1.00 0.00 ATOM 884 CG ASN 114 9.983 14.425 19.187 1.00 0.00 ATOM 885 ND2 ASN 114 10.852 14.230 18.201 1.00 0.00 ATOM 886 OD1 ASN 114 10.145 13.970 20.318 1.00 0.00 ATOM 887 O ASN 114 6.680 17.121 20.552 1.00 0.00 ATOM 888 C ASN 114 6.638 16.194 19.726 1.00 0.00 ATOM 889 N CYS 115 5.817 16.229 18.774 1.00 0.00 ATOM 890 CA CYS 115 4.756 17.231 18.588 1.00 0.00 ATOM 891 CB CYS 115 4.700 17.251 16.844 1.00 0.00 ATOM 892 SG CYS 115 6.098 16.554 15.971 1.00 0.00 ATOM 893 O CYS 115 2.517 17.581 19.361 1.00 0.00 ATOM 894 C CYS 115 3.456 16.798 19.261 1.00 0.00 ATOM 895 N GLY 116 3.432 15.525 19.738 1.00 0.00 ATOM 896 CA GLY 116 2.254 15.022 20.419 1.00 0.00 ATOM 897 O GLY 116 -0.013 15.634 19.900 1.00 0.00 ATOM 898 C GLY 116 1.060 15.157 19.508 1.00 0.00 ATOM 899 N HIS 117 1.259 14.717 18.273 1.00 0.00 ATOM 900 CA HIS 117 0.210 14.776 17.289 1.00 0.00 ATOM 901 CB HIS 117 0.112 15.454 16.205 1.00 0.00 ATOM 902 CG HIS 117 1.243 15.903 15.327 1.00 0.00 ATOM 903 CD2 HIS 117 1.548 15.543 14.050 1.00 0.00 ATOM 904 ND1 HIS 117 2.201 16.830 15.708 1.00 0.00 ATOM 905 CE1 HIS 117 3.033 17.013 14.697 1.00 0.00 ATOM 906 NE2 HIS 117 2.656 16.245 13.688 1.00 0.00 ATOM 907 O HIS 117 1.103 12.670 16.545 1.00 0.00 ATOM 908 C HIS 117 0.153 13.458 16.533 1.00 0.00 ATOM 909 N ILE 118 -0.970 13.224 15.872 1.00 0.00 ATOM 910 CA ILE 118 -1.126 12.028 15.075 1.00 0.00 ATOM 911 CB ILE 118 -1.978 10.972 15.804 1.00 0.00 ATOM 912 CG1 ILE 118 -1.307 10.556 17.115 1.00 0.00 ATOM 913 CG2 ILE 118 -2.148 9.735 14.936 1.00 0.00 ATOM 914 CD1 ILE 118 -2.161 9.658 17.980 1.00 0.00 ATOM 915 O ILE 118 -2.938 12.985 13.829 1.00 0.00 ATOM 916 C ILE 118 -1.886 12.344 13.797 1.00 0.00 ATOM 917 N TYR 119 -1.387 11.840 12.695 1.00 0.00 ATOM 918 CA TYR 119 -2.020 12.069 11.406 1.00 0.00 ATOM 919 CB TYR 119 -1.740 12.920 10.442 1.00 0.00 ATOM 920 CG TYR 119 -0.320 13.422 10.324 1.00 0.00 ATOM 921 CD1 TYR 119 0.609 12.785 9.503 1.00 0.00 ATOM 922 CD2 TYR 119 0.108 14.503 11.081 1.00 0.00 ATOM 923 CE1 TYR 119 1.932 13.235 9.422 1.00 0.00 ATOM 924 CE2 TYR 119 1.412 14.944 11.028 1.00 0.00 ATOM 925 CZ TYR 119 2.323 14.311 10.210 1.00 0.00 ATOM 926 OH TYR 119 3.598 14.777 10.182 1.00 0.00 ATOM 927 O TYR 119 -1.761 9.830 10.590 1.00 0.00 ATOM 928 C TYR 119 -2.530 10.760 10.837 1.00 0.00 ATOM 929 N TYR 120 -3.836 10.728 10.619 1.00 0.00 ATOM 930 CA TYR 120 -4.489 9.542 10.097 1.00 0.00 ATOM 931 CB TYR 120 -5.841 9.250 10.748 1.00 0.00 ATOM 932 CG TYR 120 -5.743 8.787 12.184 1.00 0.00 ATOM 933 CD1 TYR 120 -5.808 9.699 13.231 1.00 0.00 ATOM 934 CD2 TYR 120 -5.586 7.441 12.489 1.00 0.00 ATOM 935 CE1 TYR 120 -5.719 9.284 14.546 1.00 0.00 ATOM 936 CE2 TYR 120 -5.494 7.010 13.798 1.00 0.00 ATOM 937 CZ TYR 120 -5.563 7.946 14.831 1.00 0.00 ATOM 938 OH TYR 120 -5.473 7.532 16.140 1.00 0.00 ATOM 939 O TYR 120 -5.393 10.715 8.205 1.00 0.00 ATOM 940 C TYR 120 -4.763 9.739 8.622 1.00 0.00 ATOM 941 N ILE 121 -4.255 8.795 7.786 1.00 0.00 ATOM 942 CA ILE 121 -4.367 8.835 6.338 1.00 0.00 ATOM 943 CB ILE 121 -3.001 8.688 5.643 1.00 0.00 ATOM 944 CG1 ILE 121 -2.075 9.841 6.038 1.00 0.00 ATOM 945 CG2 ILE 121 -3.168 8.702 4.131 1.00 0.00 ATOM 946 CD1 ILE 121 -0.643 9.656 5.585 1.00 0.00 ATOM 947 O ILE 121 -5.018 6.529 6.145 1.00 0.00 ATOM 948 C ILE 121 -5.261 7.706 5.847 1.00 0.00 ATOM 949 N LYS 122 -6.274 8.073 5.066 1.00 0.00 ATOM 950 CA LYS 122 -7.199 7.108 4.483 1.00 0.00 ATOM 951 CB LYS 122 -8.577 7.223 5.139 1.00 0.00 ATOM 952 CG LYS 122 -8.596 6.840 6.610 1.00 0.00 ATOM 953 CD LYS 122 -10.001 6.932 7.186 1.00 0.00 ATOM 954 CE LYS 122 -10.017 6.576 8.663 1.00 0.00 ATOM 955 NZ LYS 122 -11.385 6.672 9.243 1.00 0.00 ATOM 956 O LYS 122 -7.184 8.578 2.601 1.00 0.00 ATOM 957 C LYS 122 -7.298 7.426 3.002 1.00 0.00 ATOM 958 N ASN 123 -7.481 6.396 2.163 1.00 0.00 ATOM 959 CA ASN 123 -7.590 6.600 0.721 1.00 0.00 ATOM 960 CB ASN 123 -7.732 5.258 0.001 1.00 0.00 ATOM 961 CG ASN 123 -7.741 5.405 -1.508 1.00 0.00 ATOM 962 ND2 ASN 123 -6.680 4.934 -2.154 1.00 0.00 ATOM 963 OD1 ASN 123 -8.690 5.937 -2.086 1.00 0.00 ATOM 964 O ASN 123 -9.898 7.146 0.883 1.00 0.00 ATOM 965 C ASN 123 -8.803 7.449 0.413 1.00 0.00 ATOM 966 N GLY 124 -8.522 8.502 -0.458 1.00 0.00 ATOM 967 CA GLY 124 -9.626 9.347 -0.859 1.00 0.00 ATOM 968 O GLY 124 -11.220 10.859 0.074 1.00 0.00 ATOM 969 C GLY 124 -10.137 10.287 0.214 1.00 0.00 ATOM 970 N ILE 125 -9.346 10.500 1.255 1.00 0.00 ATOM 971 CA ILE 125 -9.774 11.391 2.320 1.00 0.00 ATOM 972 CB ILE 125 -10.206 10.604 3.572 1.00 0.00 ATOM 973 CG1 ILE 125 -11.429 9.739 3.264 1.00 0.00 ATOM 974 CG2 ILE 125 -10.563 11.558 4.703 1.00 0.00 ATOM 975 CD1 ILE 125 -11.768 8.750 4.357 1.00 0.00 ATOM 976 O ILE 125 -7.517 11.964 2.864 1.00 0.00 ATOM 977 C ILE 125 -8.682 12.350 2.818 1.00 0.00 ATOM 978 N PRO 126 -9.124 13.569 3.171 1.00 0.00 ATOM 979 CA PRO 126 -8.039 14.469 3.637 1.00 0.00 ATOM 980 CB PRO 126 -8.787 15.758 3.960 1.00 0.00 ATOM 981 CG PRO 126 -10.018 15.667 3.172 1.00 0.00 ATOM 982 CD PRO 126 -10.421 14.247 3.146 1.00 0.00 ATOM 983 O PRO 126 -8.058 13.236 5.672 1.00 0.00 ATOM 984 C PRO 126 -7.384 13.867 4.864 1.00 0.00 ATOM 985 N ASN 127 -6.055 14.008 4.998 1.00 0.00 ATOM 986 CA ASN 127 -5.395 13.443 6.182 1.00 0.00 ATOM 987 CB ASN 127 -3.873 13.482 6.014 1.00 0.00 ATOM 988 CG ASN 127 -3.384 12.620 4.874 1.00 0.00 ATOM 989 ND2 ASN 127 -2.354 13.083 4.171 1.00 0.00 ATOM 990 OD1 ASN 127 -3.923 11.544 4.637 1.00 0.00 ATOM 991 O ASN 127 -6.041 15.419 7.367 1.00 0.00 ATOM 992 C ASN 127 -5.869 14.208 7.419 1.00 0.00 ATOM 993 N LEU 128 -6.116 13.481 8.498 1.00 0.00 ATOM 994 CA LEU 128 -6.607 14.047 9.746 1.00 0.00 ATOM 995 CB LEU 128 -7.465 13.073 10.358 1.00 0.00 ATOM 996 CG LEU 128 -8.877 13.408 9.885 1.00 0.00 ATOM 997 CD1 LEU 128 -9.840 12.657 10.763 1.00 0.00 ATOM 998 CD2 LEU 128 -9.196 14.904 9.880 1.00 0.00 ATOM 999 O LEU 128 -5.015 13.116 11.274 1.00 0.00 ATOM 1000 C LEU 128 -5.498 14.135 10.789 1.00 0.00 ATOM 1001 N LEU 129 -5.123 15.357 11.156 1.00 0.00 ATOM 1002 CA LEU 129 -4.079 15.593 12.152 1.00 0.00 ATOM 1003 CB LEU 129 -3.141 16.703 11.673 1.00 0.00 ATOM 1004 CG LEU 129 -2.013 17.098 12.629 1.00 0.00 ATOM 1005 CD1 LEU 129 -1.046 15.940 12.825 1.00 0.00 ATOM 1006 CD2 LEU 129 -1.234 18.282 12.078 1.00 0.00 ATOM 1007 O LEU 129 -5.377 17.024 13.573 1.00 0.00 ATOM 1008 C LEU 129 -4.678 16.012 13.493 1.00 0.00 ATOM 1009 N LEU 130 -4.470 15.223 14.624 1.00 0.00 ATOM 1010 CA LEU 130 -4.933 15.369 16.015 1.00 0.00 ATOM 1011 CB LEU 130 -5.489 14.042 16.538 1.00 0.00 ATOM 1012 CG LEU 130 -6.662 13.445 15.758 1.00 0.00 ATOM 1013 CD1 LEU 130 -7.056 12.094 16.334 1.00 0.00 ATOM 1014 CD2 LEU 130 -7.873 14.362 15.822 1.00 0.00 ATOM 1015 O LEU 130 -2.606 15.476 16.532 1.00 0.00 ATOM 1016 C LEU 130 -3.750 15.812 16.866 1.00 0.00 ATOM 1017 N PRO 131 -4.005 16.515 17.983 1.00 0.00 ATOM 1018 CA PRO 131 -5.287 16.891 18.564 1.00 0.00 ATOM 1019 CB PRO 131 -4.926 17.420 19.953 1.00 0.00 ATOM 1020 CG PRO 131 -3.530 17.925 19.809 1.00 0.00 ATOM 1021 CD PRO 131 -2.846 16.994 18.848 1.00 0.00 ATOM 1022 O PRO 131 -5.374 18.723 17.004 1.00 0.00 ATOM 1023 C PRO 131 -6.026 17.975 17.759 1.00 0.00 ATOM 1024 N PRO 132 -7.361 18.042 17.903 1.00 0.00 ATOM 1025 CA PRO 132 -8.221 18.905 17.090 1.00 0.00 ATOM 1026 CB PRO 132 -9.580 18.837 17.789 1.00 0.00 ATOM 1027 CG PRO 132 -9.605 17.489 18.427 1.00 0.00 ATOM 1028 CD PRO 132 -8.218 17.250 18.951 1.00 0.00 ATOM 1029 O PRO 132 -7.866 21.018 16.018 1.00 0.00 ATOM 1030 C PRO 132 -7.766 20.342 17.075 1.00 0.00 ATOM 1031 N HIS 133 -7.246 20.891 18.131 1.00 0.00 ATOM 1032 CA HIS 133 -6.784 22.276 18.107 1.00 0.00 ATOM 1033 CB HIS 133 -6.367 22.721 19.511 1.00 0.00 ATOM 1034 CG HIS 133 -7.514 22.890 20.457 1.00 0.00 ATOM 1035 CD2 HIS 133 -7.937 22.258 21.699 1.00 0.00 ATOM 1036 ND1 HIS 133 -8.510 23.822 20.262 1.00 0.00 ATOM 1037 CE1 HIS 133 -9.396 23.735 21.271 1.00 0.00 ATOM 1038 NE2 HIS 133 -9.057 22.797 22.137 1.00 0.00 ATOM 1039 O HIS 133 -5.416 23.600 16.657 1.00 0.00 ATOM 1040 C HIS 133 -5.580 22.504 17.194 1.00 0.00 ATOM 1041 N LEU 134 -4.742 21.505 16.995 1.00 0.00 ATOM 1042 CA LEU 134 -3.561 21.620 16.134 1.00 0.00 ATOM 1043 CB LEU 134 -2.701 20.357 16.232 1.00 0.00 ATOM 1044 CG LEU 134 -1.437 20.330 15.371 1.00 0.00 ATOM 1045 CD1 LEU 134 -0.497 21.461 15.760 1.00 0.00 ATOM 1046 CD2 LEU 134 -0.695 19.014 15.546 1.00 0.00 ATOM 1047 O LEU 134 -3.516 22.722 14.003 1.00 0.00 ATOM 1048 C LEU 134 -4.001 21.817 14.680 1.00 0.00 ATOM 1049 N VAL 135 -4.942 21.014 14.187 1.00 0.00 ATOM 1050 CA VAL 135 -5.475 21.135 12.839 1.00 0.00 ATOM 1051 CB VAL 135 -5.192 19.910 12.000 1.00 0.00 ATOM 1052 CG1 VAL 135 -5.767 20.071 10.585 1.00 0.00 ATOM 1053 CG2 VAL 135 -3.716 19.726 11.863 1.00 0.00 ATOM 1054 O VAL 135 -7.726 20.655 13.469 1.00 0.00 ATOM 1055 C VAL 135 -6.955 21.412 12.913 1.00 0.00 TER END