PFRMAT TS TARGET T0304 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 8 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 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 Our results for this model were awful. We did not get initially get a METHOD model that included the strongly predicted helix for D56-T78. We METHOD ended up looking at server models that scored well with our METHOD unconstrained cost function, and searching for even more remote fold METHOD recognition models. We did not have the time to do real "ab initio" METHOD modeling of this target. METHOD METHOD Model 1 is try34-opt2 from try20-opt2 from alignment to 1ew0A. METHOD METHOD Model 2 is try24-opt2 from try13-opt2 from alignment to 1jzgA. METHOD METHOD Model 3 is try31-opt2 from alignment to 1i1qA. METHOD METHOD Model 4 is try32-opt2 from try11-opt2 from alignment to 1cuoA. METHOD METHOD Model 5 is try6-opt2, optimized from SP3_TS2. It not only has the METHOD long helix, but it scores best with our cost functions. METHOD REMARK 6 REMARK 6 T0304 model 3 Sun Jul 9 13:35:28 2006 MODEL 3 PARENT 1ryb_A 1gul_A 1wom_A 1gum_A 2gai_A REMARK 7 REMARK 7 ALLPARENTS 1ryb_A 1gul_A 1wom_A 1gum_A 2gai_A 1z9l_A 1kae_A REMARK 7 ALLPARENTS 1zem_A 1lj2_A 1vpk_A 2f9l_A 1u69_A 1k3y_A 1rw2_A REMARK 7 ALLPARENTS 1i1q_A 1ew0_A 1kpf 1cc3_A 2aza_A 1cuo_A 1jzg_A REMARK 7 ALLPARENTS 1nwp_A 1ete_A 1reg_X 1qto_A 1ijx_A 8ruc_I 3rub_S REMARK 7 ALLPARENTS 1eo6_A 1gnu_A 1d4x_G 1poc 1h9d_A 1qd9_A 1qu9_A REMARK 7 ALLPARENTS 1poc 1qu9_A 1kpf 8ruc_I 3rub_S 1jd1_A 1ete_A REMARK 7 ALLPARENTS 1qd9_A 1fjg_K 1ew0_A 1nwp_A 1cuo_A 1cc3_A 3nul REMARK 7 ALLPARENTS 1ijx_A 2aza_A 1jzg_A 1acf 1jyo_A 1otg_A ATOM 1 N MET 1 22.425 15.050 16.690 1.00 0.00 ATOM 2 CA MET 1 22.001 14.263 15.516 1.00 0.00 ATOM 3 CB MET 1 22.962 14.485 14.347 1.00 0.00 ATOM 4 CG MET 1 22.892 15.878 13.742 1.00 0.00 ATOM 5 SD MET 1 21.266 16.259 13.060 1.00 0.00 ATOM 6 CE MET 1 21.220 15.148 11.656 1.00 0.00 ATOM 7 O MET 1 21.201 12.008 15.222 1.00 0.00 ATOM 8 C MET 1 22.017 12.733 15.794 1.00 0.00 ATOM 9 N SER 2 22.952 12.193 16.591 1.00 0.00 ATOM 10 CA SER 2 22.983 10.788 16.931 1.00 0.00 ATOM 11 CB SER 2 24.060 10.530 17.987 1.00 0.00 ATOM 12 OG SER 2 25.357 10.711 17.448 1.00 0.00 ATOM 13 O SER 2 21.122 9.286 17.104 1.00 0.00 ATOM 14 C SER 2 21.672 10.302 17.537 1.00 0.00 ATOM 15 N ASP 3 21.112 11.040 18.521 1.00 0.00 ATOM 16 CA ASP 3 19.851 10.661 19.152 1.00 0.00 ATOM 17 CB ASP 3 19.610 11.537 20.382 1.00 0.00 ATOM 18 CG ASP 3 20.581 11.239 21.509 1.00 0.00 ATOM 19 OD1 ASP 3 21.273 10.203 21.437 1.00 0.00 ATOM 20 OD2 ASP 3 20.648 12.043 22.463 1.00 0.00 ATOM 21 O ASP 3 17.730 9.954 18.317 1.00 0.00 ATOM 22 C ASP 3 18.656 10.747 18.210 1.00 0.00 ATOM 23 N THR 4 18.665 11.727 17.293 1.00 0.00 ATOM 24 CA THR 4 17.578 11.865 16.326 1.00 0.00 ATOM 25 CB THR 4 17.780 13.113 15.444 1.00 0.00 ATOM 26 CG2 THR 4 16.690 13.198 14.386 1.00 0.00 ATOM 27 OG1 THR 4 17.727 14.290 16.258 1.00 0.00 ATOM 28 O THR 4 16.552 10.044 15.128 1.00 0.00 ATOM 29 C THR 4 17.605 10.618 15.441 1.00 0.00 ATOM 30 N LEU 5 18.846 10.115 15.048 1.00 0.00 ATOM 31 CA LEU 5 18.996 8.910 14.228 1.00 0.00 ATOM 32 CB LEU 5 20.462 8.682 13.853 1.00 0.00 ATOM 33 CG LEU 5 21.093 9.718 12.922 1.00 0.00 ATOM 34 CD1 LEU 5 22.588 9.477 12.783 1.00 0.00 ATOM 35 CD2 LEU 5 20.469 9.648 11.536 1.00 0.00 ATOM 36 O LEU 5 17.666 6.926 14.360 1.00 0.00 ATOM 37 C LEU 5 18.459 7.676 14.932 1.00 0.00 ATOM 38 N PRO 6 18.875 7.476 16.184 1.00 0.00 ATOM 39 CA PRO 6 18.395 6.326 16.938 1.00 0.00 ATOM 40 CB PRO 6 19.161 6.408 18.261 1.00 0.00 ATOM 41 CG PRO 6 20.372 7.219 17.942 1.00 0.00 ATOM 42 CD PRO 6 19.941 8.225 16.912 1.00 0.00 ATOM 43 O PRO 6 16.212 5.341 16.880 1.00 0.00 ATOM 44 C PRO 6 16.883 6.356 17.099 1.00 0.00 ATOM 45 N GLY 7 16.276 7.481 17.478 1.00 0.00 ATOM 46 CA GLY 7 14.847 7.597 17.627 1.00 0.00 ATOM 47 O GLY 7 13.107 6.674 16.266 1.00 0.00 ATOM 48 C GLY 7 14.144 7.327 16.296 1.00 0.00 ATOM 49 N THR 8 14.716 7.832 15.212 1.00 0.00 ATOM 50 CA THR 8 14.040 7.628 13.914 1.00 0.00 ATOM 51 CB THR 8 14.726 8.425 12.790 1.00 0.00 ATOM 52 CG2 THR 8 14.037 8.170 11.458 1.00 0.00 ATOM 53 OG1 THR 8 14.659 9.827 13.084 1.00 0.00 ATOM 54 O THR 8 13.079 5.567 13.075 1.00 0.00 ATOM 55 C THR 8 14.071 6.158 13.540 1.00 0.00 ATOM 56 N THR 9 15.193 5.593 13.844 1.00 0.00 ATOM 57 CA THR 9 15.370 4.178 13.608 1.00 0.00 ATOM 58 CB THR 9 16.805 3.726 13.934 1.00 0.00 ATOM 59 CG2 THR 9 16.954 2.228 13.716 1.00 0.00 ATOM 60 OG1 THR 9 17.729 4.414 13.081 1.00 0.00 ATOM 61 O THR 9 13.874 2.362 13.987 1.00 0.00 ATOM 62 C THR 9 14.418 3.356 14.475 1.00 0.00 ATOM 63 N LEU 10 14.204 3.780 15.714 1.00 0.00 ATOM 64 CA LEU 10 13.319 3.079 16.648 1.00 0.00 ATOM 65 CB LEU 10 13.375 3.728 18.031 1.00 0.00 ATOM 66 CG LEU 10 12.489 3.105 19.110 1.00 0.00 ATOM 67 CD1 LEU 10 12.875 1.655 19.355 1.00 0.00 ATOM 68 CD2 LEU 10 12.625 3.863 20.423 1.00 0.00 ATOM 69 O LEU 10 11.202 2.095 16.027 1.00 0.00 ATOM 70 C LEU 10 11.876 3.122 16.145 1.00 0.00 ATOM 71 N PRO 11 11.336 4.356 15.740 1.00 0.00 ATOM 72 CA PRO 11 9.993 4.492 15.205 1.00 0.00 ATOM 73 CB PRO 11 9.844 5.995 14.960 1.00 0.00 ATOM 74 CG PRO 11 10.760 6.628 15.953 1.00 0.00 ATOM 75 CD PRO 11 11.972 5.743 16.026 1.00 0.00 ATOM 76 O PRO 11 8.786 3.094 13.655 1.00 0.00 ATOM 77 C PRO 11 9.835 3.691 13.905 1.00 0.00 ATOM 78 N ASP 12 10.899 3.703 13.076 1.00 0.00 ATOM 79 CA ASP 12 10.849 2.974 11.814 1.00 0.00 ATOM 80 CB ASP 12 12.057 3.325 10.943 1.00 0.00 ATOM 81 CG ASP 12 11.960 4.716 10.347 1.00 0.00 ATOM 82 OD1 ASP 12 10.864 5.311 10.402 1.00 0.00 ATOM 83 OD2 ASP 12 12.981 5.209 9.823 1.00 0.00 ATOM 84 O ASP 12 10.194 0.731 11.261 1.00 0.00 ATOM 85 C ASP 12 10.831 1.456 12.016 1.00 0.00 ATOM 86 N ASP 13 11.511 0.956 13.015 1.00 0.00 ATOM 87 CA ASP 13 11.364 -0.448 13.405 1.00 0.00 ATOM 88 CB ASP 13 12.271 -0.814 14.581 1.00 0.00 ATOM 89 CG ASP 13 13.739 -0.831 14.203 1.00 0.00 ATOM 90 OD1 ASP 13 14.039 -0.805 12.990 1.00 0.00 ATOM 91 OD2 ASP 13 14.589 -0.871 15.117 1.00 0.00 ATOM 92 O ASP 13 9.443 -1.883 13.381 1.00 0.00 ATOM 93 C ASP 13 9.931 -0.825 13.774 1.00 0.00 ATOM 94 N ASN 14 9.262 0.030 14.536 1.00 0.00 ATOM 95 CA ASN 14 7.895 -0.158 14.996 1.00 0.00 ATOM 96 CB ASN 14 7.867 1.378 15.875 1.00 0.00 ATOM 97 CG ASN 14 7.651 1.408 17.374 1.00 0.00 ATOM 98 ND2 ASN 14 8.371 2.273 18.075 1.00 0.00 ATOM 99 OD1 ASN 14 6.845 0.658 17.895 1.00 0.00 ATOM 100 O ASN 14 6.080 -1.006 13.693 1.00 0.00 ATOM 101 C ASN 14 6.951 -0.157 13.812 1.00 0.00 ATOM 102 N HIS 15 7.150 0.825 12.829 1.00 0.00 ATOM 103 CA HIS 15 6.282 0.891 11.661 1.00 0.00 ATOM 104 CB HIS 15 6.628 2.112 10.807 1.00 0.00 ATOM 105 CG HIS 15 6.219 3.414 11.421 1.00 0.00 ATOM 106 CD2 HIS 15 6.914 4.600 11.902 1.00 0.00 ATOM 107 ND1 HIS 15 4.902 3.742 11.663 1.00 0.00 ATOM 108 CE1 HIS 15 4.850 4.967 12.216 1.00 0.00 ATOM 109 NE2 HIS 15 6.052 5.487 12.362 1.00 0.00 ATOM 110 O HIS 15 5.443 -0.833 10.211 1.00 0.00 ATOM 111 C HIS 15 6.424 -0.353 10.781 1.00 0.00 ATOM 112 N ASP 16 7.641 -0.879 10.673 1.00 0.00 ATOM 113 CA ASP 16 7.866 -2.072 9.865 1.00 0.00 ATOM 114 CB ASP 16 9.347 -2.456 9.876 1.00 0.00 ATOM 115 CG ASP 16 10.201 -1.505 9.060 1.00 0.00 ATOM 116 OD1 ASP 16 9.629 -0.699 8.297 1.00 0.00 ATOM 117 OD2 ASP 16 11.443 -1.567 9.184 1.00 0.00 ATOM 118 O ASP 16 6.309 -3.907 9.713 1.00 0.00 ATOM 119 C ASP 16 7.052 -3.237 10.437 1.00 0.00 ATOM 120 N ARG 17 7.144 -3.427 11.855 1.00 0.00 ATOM 121 CA ARG 17 6.406 -4.499 12.511 1.00 0.00 ATOM 122 CB ARG 17 6.587 -4.422 14.028 1.00 0.00 ATOM 123 CG ARG 17 7.985 -4.780 14.504 1.00 0.00 ATOM 124 CD ARG 17 8.080 -4.737 16.021 1.00 0.00 ATOM 125 NE ARG 17 9.448 -4.945 16.492 1.00 0.00 ATOM 126 CZ ARG 17 10.020 -6.138 16.617 1.00 0.00 ATOM 127 NH1 ARG 17 11.269 -6.231 17.052 1.00 0.00 ATOM 128 NH2 ARG 17 9.341 -7.235 16.309 1.00 0.00 ATOM 129 O ARG 17 4.231 -5.316 12.006 1.00 0.00 ATOM 130 C ARG 17 4.896 -4.333 12.268 1.00 0.00 ATOM 131 N PRO 18 4.386 -3.142 12.329 1.00 0.00 ATOM 132 CA PRO 18 2.949 -2.989 11.974 1.00 0.00 ATOM 133 CB PRO 18 2.689 -1.496 12.194 1.00 0.00 ATOM 134 CG PRO 18 3.711 -1.086 13.202 1.00 0.00 ATOM 135 CD PRO 18 4.945 -1.885 12.858 1.00 0.00 ATOM 136 O PRO 18 1.521 -4.175 10.417 1.00 0.00 ATOM 137 C PRO 18 2.526 -3.461 10.571 1.00 0.00 ATOM 138 N TRP 19 3.320 -3.095 9.582 1.00 0.00 ATOM 139 CA TRP 19 3.030 -3.510 8.216 1.00 0.00 ATOM 140 CB TRP 19 3.991 -2.847 7.228 1.00 0.00 ATOM 141 CG TRP 19 3.667 -1.412 6.945 1.00 0.00 ATOM 142 CD1 TRP 19 2.633 -0.688 7.464 1.00 0.00 ATOM 143 CD2 TRP 19 4.383 -0.525 6.077 1.00 0.00 ATOM 144 CE2 TRP 19 3.725 0.720 6.118 1.00 0.00 ATOM 145 CE3 TRP 19 5.515 -0.661 5.267 1.00 0.00 ATOM 146 NE1 TRP 19 2.659 0.594 6.973 1.00 0.00 ATOM 147 CZ2 TRP 19 4.161 1.820 5.382 1.00 0.00 ATOM 148 CZ3 TRP 19 5.945 0.431 4.539 1.00 0.00 ATOM 149 CH2 TRP 19 5.272 1.658 4.600 1.00 0.00 ATOM 150 O TRP 19 2.932 -5.584 7.002 1.00 0.00 ATOM 151 C TRP 19 3.312 -5.001 8.024 1.00 0.00 ATOM 152 N TRP 20 3.959 -5.627 9.021 1.00 0.00 ATOM 153 CA TRP 20 4.288 -7.042 8.902 1.00 0.00 ATOM 154 CB TRP 20 5.347 -7.462 9.923 1.00 0.00 ATOM 155 CG TRP 20 5.695 -8.918 9.863 1.00 0.00 ATOM 156 CD1 TRP 20 5.289 -9.895 10.726 1.00 0.00 ATOM 157 CD2 TRP 20 6.518 -9.564 8.883 1.00 0.00 ATOM 158 CE2 TRP 20 6.569 -10.932 9.218 1.00 0.00 ATOM 159 CE3 TRP 20 7.218 -9.121 7.758 1.00 0.00 ATOM 160 NE1 TRP 20 5.811 -11.109 10.348 1.00 0.00 ATOM 161 CZ2 TRP 20 7.290 -11.859 8.468 1.00 0.00 ATOM 162 CZ3 TRP 20 7.933 -10.042 7.016 1.00 0.00 ATOM 163 CH2 TRP 20 7.966 -11.396 7.372 1.00 0.00 ATOM 164 O TRP 20 2.259 -7.597 10.068 1.00 0.00 ATOM 165 C TRP 20 3.061 -7.899 9.172 1.00 0.00 ATOM 166 N GLY 21 2.825 -9.086 8.443 1.00 0.00 ATOM 167 CA GLY 21 1.846 -10.142 8.747 1.00 0.00 ATOM 168 O GLY 21 -0.521 -10.484 8.780 1.00 0.00 ATOM 169 C GLY 21 0.422 -9.773 8.402 1.00 0.00 ATOM 170 N LEU 22 0.258 -8.671 7.666 1.00 0.00 ATOM 171 CA LEU 22 -1.065 -8.234 7.247 1.00 0.00 ATOM 172 CB LEU 22 -1.393 -6.867 7.847 1.00 0.00 ATOM 173 CG LEU 22 -1.411 -6.784 9.375 1.00 0.00 ATOM 174 CD1 LEU 22 -1.620 -5.349 9.833 1.00 0.00 ATOM 175 CD2 LEU 22 -2.534 -7.635 9.946 1.00 0.00 ATOM 176 O LEU 22 -0.061 -7.760 5.107 1.00 0.00 ATOM 177 C LEU 22 -1.059 -8.146 5.726 1.00 0.00 ATOM 178 N PRO 23 -2.195 -8.514 5.132 1.00 0.00 ATOM 179 CA PRO 23 -2.315 -8.567 3.687 1.00 0.00 ATOM 180 CB PRO 23 -3.662 -9.254 3.453 1.00 0.00 ATOM 181 CG PRO 23 -4.406 -9.061 4.732 1.00 0.00 ATOM 182 CD PRO 23 -3.370 -9.042 5.819 1.00 0.00 ATOM 183 O PRO 23 -1.720 -6.966 2.003 1.00 0.00 ATOM 184 C PRO 23 -2.291 -7.164 3.073 1.00 0.00 ATOM 185 N CYS 24 -2.884 -6.189 3.756 1.00 0.00 ATOM 186 CA CYS 24 -2.886 -4.818 3.251 1.00 0.00 ATOM 187 CB CYS 24 -3.909 -3.969 4.008 1.00 0.00 ATOM 188 SG CYS 24 -3.552 -3.764 5.769 1.00 0.00 ATOM 189 O CYS 24 -1.053 -3.389 2.623 1.00 0.00 ATOM 190 C CYS 24 -1.499 -4.202 3.434 1.00 0.00 ATOM 191 N THR 25 -0.816 -4.600 4.503 1.00 0.00 ATOM 192 CA THR 25 0.513 -4.084 4.795 1.00 0.00 ATOM 193 CB THR 25 0.849 -4.419 6.306 1.00 0.00 ATOM 194 CG2 THR 25 -0.123 -3.739 7.257 1.00 0.00 ATOM 195 OG1 THR 25 0.770 -5.839 6.490 1.00 0.00 ATOM 196 O THR 25 2.455 -3.834 3.466 1.00 0.00 ATOM 197 C THR 25 1.581 -4.610 3.842 1.00 0.00 ATOM 198 N VAL 26 1.363 -5.937 3.413 1.00 0.00 ATOM 199 CA VAL 26 2.277 -6.502 2.414 1.00 0.00 ATOM 200 CB VAL 26 1.830 -7.926 2.037 1.00 0.00 ATOM 201 CG1 VAL 26 2.642 -8.446 0.860 1.00 0.00 ATOM 202 CG2 VAL 26 2.021 -8.874 3.210 1.00 0.00 ATOM 203 O VAL 26 3.367 -5.305 0.641 1.00 0.00 ATOM 204 C VAL 26 2.302 -5.651 1.148 1.00 0.00 ATOM 205 N THR 27 1.119 -5.298 0.655 1.00 0.00 ATOM 206 CA THR 27 0.998 -4.483 -0.548 1.00 0.00 ATOM 207 CB THR 27 -0.468 -4.358 -0.998 1.00 0.00 ATOM 208 CG2 THR 27 -0.572 -3.481 -2.237 1.00 0.00 ATOM 209 OG1 THR 27 -0.990 -5.656 -1.303 1.00 0.00 ATOM 210 O THR 27 2.146 -2.507 -1.265 1.00 0.00 ATOM 211 C THR 27 1.524 -3.067 -0.360 1.00 0.00 ATOM 212 N PRO 28 1.293 -2.491 0.816 1.00 0.00 ATOM 213 CA PRO 28 1.745 -1.131 1.086 1.00 0.00 ATOM 214 CB PRO 28 1.286 -0.767 2.459 1.00 0.00 ATOM 215 CG PRO 28 0.139 -1.599 2.668 1.00 0.00 ATOM 216 CD PRO 28 0.293 -2.855 1.894 1.00 0.00 ATOM 217 O PRO 28 3.845 -0.138 0.495 1.00 0.00 ATOM 218 C PRO 28 3.263 -1.051 1.082 1.00 0.00 ATOM 219 N CYS 29 3.911 -2.015 1.730 1.00 0.00 ATOM 220 CA CYS 29 5.366 -2.024 1.786 1.00 0.00 ATOM 221 CB CYS 29 5.860 -3.170 2.670 1.00 0.00 ATOM 222 SG CYS 29 7.653 -3.220 2.898 1.00 0.00 ATOM 223 O CYS 29 7.001 -1.613 0.087 1.00 0.00 ATOM 224 C CYS 29 5.969 -2.205 0.399 1.00 0.00 ATOM 225 N PHE 30 5.330 -3.020 -0.436 1.00 0.00 ATOM 226 CA PHE 30 5.844 -3.235 -1.774 1.00 0.00 ATOM 227 CB PHE 30 5.052 -4.285 -2.486 1.00 0.00 ATOM 228 CG PHE 30 5.440 -5.688 -2.099 1.00 0.00 ATOM 229 CD1 PHE 30 6.661 -6.173 -2.502 1.00 0.00 ATOM 230 CD2 PHE 30 4.603 -6.534 -1.389 1.00 0.00 ATOM 231 CE1 PHE 30 7.036 -7.466 -2.244 1.00 0.00 ATOM 232 CE2 PHE 30 5.010 -7.823 -1.098 1.00 0.00 ATOM 233 CZ PHE 30 6.228 -8.271 -1.537 1.00 0.00 ATOM 234 O PHE 30 6.705 -1.550 -3.230 1.00 0.00 ATOM 235 C PHE 30 5.758 -1.938 -2.561 1.00 0.00 ATOM 236 N GLY 31 4.622 -1.259 -2.468 1.00 0.00 ATOM 237 CA GLY 31 4.442 -0.005 -3.186 1.00 0.00 ATOM 238 O GLY 31 6.030 1.738 -3.588 1.00 0.00 ATOM 239 C GLY 31 5.454 1.036 -2.756 1.00 0.00 ATOM 240 N ALA 32 5.672 1.136 -1.445 1.00 0.00 ATOM 241 CA ALA 32 6.620 2.104 -0.905 1.00 0.00 ATOM 242 CB ALA 32 6.528 2.149 0.612 1.00 0.00 ATOM 243 O ALA 32 8.850 2.613 -1.623 1.00 0.00 ATOM 244 C ALA 32 8.047 1.741 -1.303 1.00 0.00 ATOM 245 N ARG 33 8.355 0.440 -1.289 1.00 0.00 ATOM 246 CA ARG 33 9.685 -0.019 -1.664 1.00 0.00 ATOM 247 CB ARG 33 9.782 -1.542 -1.539 1.00 0.00 ATOM 248 CG ARG 33 11.167 -2.100 -1.820 1.00 0.00 ATOM 249 CD ARG 33 11.169 -3.619 -1.769 1.00 0.00 ATOM 250 NE ARG 33 10.368 -4.205 -2.841 1.00 0.00 ATOM 251 CZ ARG 33 10.774 -4.314 -4.101 1.00 0.00 ATOM 252 NH1 ARG 33 9.977 -4.860 -5.009 1.00 0.00 ATOM 253 NH2 ARG 33 11.977 -3.878 -4.452 1.00 0.00 ATOM 254 O ARG 33 10.985 1.034 -3.383 1.00 0.00 ATOM 255 C ARG 33 9.966 0.404 -3.093 1.00 0.00 ATOM 256 N LEU 34 9.067 0.068 -3.984 1.00 0.00 ATOM 257 CA LEU 34 9.206 0.426 -5.399 1.00 0.00 ATOM 258 CB LEU 34 8.052 -0.158 -6.216 1.00 0.00 ATOM 259 CG LEU 34 8.080 0.113 -7.720 1.00 0.00 ATOM 260 CD1 LEU 34 9.326 -0.487 -8.352 1.00 0.00 ATOM 261 CD2 LEU 34 6.862 -0.494 -8.400 1.00 0.00 ATOM 262 O LEU 34 10.026 2.452 -6.366 1.00 0.00 ATOM 263 C LEU 34 9.209 1.934 -5.608 1.00 0.00 ATOM 264 N VAL 35 8.311 2.641 -4.914 1.00 0.00 ATOM 265 CA VAL 35 8.265 4.099 -5.030 1.00 0.00 ATOM 266 CB VAL 35 7.152 4.700 -4.152 1.00 0.00 ATOM 267 CG1 VAL 35 7.251 6.218 -4.132 1.00 0.00 ATOM 268 CG2 VAL 35 5.783 4.315 -4.690 1.00 0.00 ATOM 269 O VAL 35 10.096 5.646 -5.257 1.00 0.00 ATOM 270 C VAL 35 9.591 4.740 -4.595 1.00 0.00 ATOM 271 N GLN 36 10.154 4.240 -3.494 1.00 0.00 ATOM 272 CA GLN 36 11.380 4.796 -2.915 1.00 0.00 ATOM 273 CB GLN 36 11.602 4.298 -1.495 1.00 0.00 ATOM 274 CG GLN 36 10.530 4.796 -0.528 1.00 0.00 ATOM 275 CD GLN 36 10.789 4.398 0.919 1.00 0.00 ATOM 276 OE1 GLN 36 11.548 3.468 1.196 1.00 0.00 ATOM 277 NE2 GLN 36 10.136 5.096 1.848 1.00 0.00 ATOM 278 O GLN 36 13.514 5.243 -3.947 1.00 0.00 ATOM 279 C GLN 36 12.589 4.442 -3.784 1.00 0.00 ATOM 280 N GLU 37 12.626 3.218 -4.289 1.00 0.00 ATOM 281 CA GLU 37 13.734 2.804 -5.142 1.00 0.00 ATOM 282 CB GLU 37 13.634 1.313 -5.470 1.00 0.00 ATOM 283 CG GLU 37 13.872 0.398 -4.280 1.00 0.00 ATOM 284 CD GLU 37 13.675 -1.066 -4.621 1.00 0.00 ATOM 285 OE1 GLU 37 13.291 -1.361 -5.771 1.00 0.00 ATOM 286 OE2 GLU 37 13.904 -1.918 -3.737 1.00 0.00 ATOM 287 O GLU 37 14.782 3.933 -6.977 1.00 0.00 ATOM 288 C GLU 37 13.719 3.604 -6.432 1.00 0.00 ATOM 289 N GLY 38 12.499 3.909 -7.025 1.00 0.00 ATOM 290 CA GLY 38 12.354 4.732 -8.214 1.00 0.00 ATOM 291 O GLY 38 13.810 6.519 -8.892 1.00 0.00 ATOM 292 C GLY 38 13.032 6.080 -8.039 1.00 0.00 ATOM 293 N ASN 39 12.737 6.733 -6.920 1.00 0.00 ATOM 294 CA ASN 39 13.331 8.025 -6.614 1.00 0.00 ATOM 295 CB ASN 39 12.714 8.611 -5.342 1.00 0.00 ATOM 296 CG ASN 39 11.296 9.105 -5.557 1.00 0.00 ATOM 297 ND2 ASN 39 10.541 9.221 -4.471 1.00 0.00 ATOM 298 OD1 ASN 39 10.887 9.376 -6.686 1.00 0.00 ATOM 299 O ASN 39 15.633 8.682 -6.858 1.00 0.00 ATOM 300 C ASN 39 14.831 7.869 -6.398 1.00 0.00 ATOM 301 N ARG 40 15.175 6.833 -5.662 1.00 0.00 ATOM 302 CA ARG 40 16.567 6.540 -5.347 1.00 0.00 ATOM 303 CB ARG 40 16.680 5.210 -4.600 1.00 0.00 ATOM 304 CG ARG 40 18.099 4.844 -4.194 1.00 0.00 ATOM 305 CD ARG 40 18.137 3.516 -3.456 1.00 0.00 ATOM 306 NE ARG 40 19.491 3.162 -3.036 1.00 0.00 ATOM 307 CZ ARG 40 19.831 1.984 -2.526 1.00 0.00 ATOM 308 NH1 ARG 40 21.087 1.751 -2.172 1.00 0.00 ATOM 309 NH2 ARG 40 18.913 1.038 -2.371 1.00 0.00 ATOM 310 O ARG 40 18.448 7.053 -6.742 1.00 0.00 ATOM 311 C ARG 40 17.401 6.409 -6.616 1.00 0.00 ATOM 312 N LEU 41 16.927 5.588 -7.562 1.00 0.00 ATOM 313 CA LEU 41 17.678 5.396 -8.801 1.00 0.00 ATOM 314 CB LEU 41 16.952 4.384 -9.689 1.00 0.00 ATOM 315 CG LEU 41 17.011 2.924 -9.241 1.00 0.00 ATOM 316 CD1 LEU 41 16.097 2.061 -10.098 1.00 0.00 ATOM 317 CD2 LEU 41 18.426 2.380 -9.360 1.00 0.00 ATOM 318 O LEU 41 18.840 7.024 -10.124 1.00 0.00 ATOM 319 C LEU 41 17.782 6.701 -9.591 1.00 0.00 ATOM 320 N HIS 42 16.688 7.447 -9.685 1.00 0.00 ATOM 321 CA HIS 42 16.720 8.697 -10.437 1.00 0.00 ATOM 322 CB HIS 42 15.358 9.393 -10.376 1.00 0.00 ATOM 323 CG HIS 42 15.285 10.647 -11.190 1.00 0.00 ATOM 324 CD2 HIS 42 14.947 10.972 -12.568 1.00 0.00 ATOM 325 ND1 HIS 42 15.573 11.890 -10.670 1.00 0.00 ATOM 326 CE1 HIS 42 15.420 12.815 -11.634 1.00 0.00 ATOM 327 NE2 HIS 42 15.044 12.271 -12.775 1.00 0.00 ATOM 328 O HIS 42 18.477 10.312 -10.686 1.00 0.00 ATOM 329 C HIS 42 17.776 9.662 -9.908 1.00 0.00 ATOM 330 N TYR 43 17.922 9.759 -8.596 1.00 0.00 ATOM 331 CA TYR 43 18.932 10.642 -8.026 1.00 0.00 ATOM 332 CB TYR 43 18.702 10.806 -6.522 1.00 0.00 ATOM 333 CG TYR 43 17.469 11.608 -6.175 1.00 0.00 ATOM 334 CD1 TYR 43 16.309 10.979 -5.742 1.00 0.00 ATOM 335 CD2 TYR 43 17.468 12.994 -6.282 1.00 0.00 ATOM 336 CE1 TYR 43 15.176 11.704 -5.424 1.00 0.00 ATOM 337 CE2 TYR 43 16.345 13.736 -5.966 1.00 0.00 ATOM 338 CZ TYR 43 15.194 13.077 -5.535 1.00 0.00 ATOM 339 OH TYR 43 14.068 13.803 -5.218 1.00 0.00 ATOM 340 O TYR 43 21.297 10.872 -8.583 1.00 0.00 ATOM 341 C TYR 43 20.325 10.109 -8.301 1.00 0.00 ATOM 342 N LEU 44 20.463 8.824 -8.174 1.00 0.00 ATOM 343 CA LEU 44 21.766 8.256 -8.499 1.00 0.00 ATOM 344 CB LEU 44 21.737 6.746 -8.251 1.00 0.00 ATOM 345 CG LEU 44 21.508 6.301 -6.806 1.00 0.00 ATOM 346 CD1 LEU 44 21.323 4.792 -6.731 1.00 0.00 ATOM 347 CD2 LEU 44 22.692 6.680 -5.932 1.00 0.00 ATOM 348 O LEU 44 23.291 8.891 -10.237 1.00 0.00 ATOM 349 C LEU 44 22.158 8.540 -9.945 1.00 0.00 ATOM 350 N ALA 45 21.217 8.346 -10.864 1.00 0.00 ATOM 351 CA ALA 45 21.504 8.558 -12.284 1.00 0.00 ATOM 352 CB ALA 45 20.241 8.282 -13.084 1.00 0.00 ATOM 353 O ALA 45 22.902 10.191 -13.339 1.00 0.00 ATOM 354 C ALA 45 21.987 9.980 -12.575 1.00 0.00 ATOM 355 N ASP 46 21.366 10.945 -11.875 1.00 0.00 ATOM 356 CA ASP 46 21.739 12.342 -12.040 1.00 0.00 ATOM 357 CB ASP 46 20.780 13.247 -11.264 1.00 0.00 ATOM 358 CG ASP 46 19.393 13.288 -11.877 1.00 0.00 ATOM 359 OD1 ASP 46 19.238 12.822 -13.026 1.00 0.00 ATOM 360 OD2 ASP 46 18.463 13.786 -11.209 1.00 0.00 ATOM 361 O ASP 46 23.731 13.631 -12.034 1.00 0.00 ATOM 362 C ASP 46 23.144 12.655 -11.586 1.00 0.00 ATOM 363 N ARG 47 23.689 11.833 -10.697 1.00 0.00 ATOM 364 CA ARG 47 25.034 12.078 -10.201 1.00 0.00 ATOM 365 CB ARG 47 25.234 11.399 -8.844 1.00 0.00 ATOM 366 CG ARG 47 24.389 11.985 -7.726 1.00 0.00 ATOM 367 CD ARG 47 24.593 11.228 -6.424 1.00 0.00 ATOM 368 NE ARG 47 23.742 11.741 -5.354 1.00 0.00 ATOM 369 CZ ARG 47 23.640 11.187 -4.150 1.00 0.00 ATOM 370 NH1 ARG 47 22.840 11.723 -3.238 1.00 0.00 ATOM 371 NH2 ARG 47 24.341 10.099 -3.859 1.00 0.00 ATOM 372 O ARG 47 27.299 11.691 -10.897 1.00 0.00 ATOM 373 C ARG 47 26.106 11.555 -11.160 1.00 0.00 ATOM 374 N ALA 48 25.674 10.970 -12.274 1.00 0.00 ATOM 375 CA ALA 48 26.596 10.429 -13.272 1.00 0.00 ATOM 376 CB ALA 48 25.985 9.209 -13.943 1.00 0.00 ATOM 377 O ALA 48 26.099 12.314 -14.637 1.00 0.00 ATOM 378 C ALA 48 26.927 11.461 -14.369 1.00 0.00 ATOM 379 N GLY 49 28.089 11.274 -14.995 1.00 0.00 ATOM 380 CA GLY 49 28.490 12.194 -16.074 1.00 0.00 ATOM 381 O GLY 49 28.097 12.635 -18.403 1.00 0.00 ATOM 382 C GLY 49 27.821 11.937 -17.427 1.00 0.00 ATOM 383 N ILE 50 26.948 10.936 -17.491 1.00 0.00 ATOM 384 CA ILE 50 26.248 10.613 -18.738 1.00 0.00 ATOM 385 CB ILE 50 25.135 9.573 -18.507 1.00 0.00 ATOM 386 CG1 ILE 50 24.116 10.099 -17.495 1.00 0.00 ATOM 387 CG2 ILE 50 25.721 8.276 -17.973 1.00 0.00 ATOM 388 CD1 ILE 50 22.881 9.236 -17.368 1.00 0.00 ATOM 389 O ILE 50 25.078 12.711 -18.654 1.00 0.00 ATOM 390 C ILE 50 25.596 11.850 -19.365 1.00 0.00 ATOM 391 N ARG 51 25.623 11.930 -20.695 1.00 0.00 ATOM 392 CA ARG 51 25.012 13.052 -21.406 1.00 0.00 ATOM 393 CB ARG 51 25.033 12.805 -22.914 1.00 0.00 ATOM 394 CG ARG 51 26.420 12.851 -23.533 1.00 0.00 ATOM 395 CD ARG 51 26.378 12.510 -25.013 1.00 0.00 ATOM 396 NE ARG 51 25.656 13.519 -25.786 1.00 0.00 ATOM 397 CZ ARG 51 26.217 14.608 -26.299 1.00 0.00 ATOM 398 NH1 ARG 51 25.482 15.470 -26.989 1.00 0.00 ATOM 399 NH2 ARG 51 27.512 14.832 -26.124 1.00 0.00 ATOM 400 O ARG 51 22.942 12.221 -20.532 1.00 0.00 ATOM 401 C ARG 51 23.563 13.195 -20.954 1.00 0.00 ATOM 402 N GLY 52 23.028 14.501 -20.986 1.00 0.00 ATOM 403 CA GLY 52 21.638 14.748 -20.589 1.00 0.00 ATOM 404 O GLY 52 19.604 13.473 -20.720 1.00 0.00 ATOM 405 C GLY 52 20.626 13.854 -21.304 1.00 0.00 ATOM 406 N LEU 53 20.906 13.519 -22.560 1.00 0.00 ATOM 407 CA LEU 53 20.007 12.666 -23.327 1.00 0.00 ATOM 408 CB LEU 53 20.463 12.582 -24.785 1.00 0.00 ATOM 409 CG LEU 53 20.316 13.859 -25.616 1.00 0.00 ATOM 410 CD1 LEU 53 20.974 13.694 -26.976 1.00 0.00 ATOM 411 CD2 LEU 53 18.848 14.190 -25.836 1.00 0.00 ATOM 412 O LEU 53 18.900 10.675 -22.600 1.00 0.00 ATOM 413 C LEU 53 19.970 11.259 -22.761 1.00 0.00 ATOM 414 N PHE 54 21.139 10.703 -22.457 1.00 0.00 ATOM 415 CA PHE 54 21.184 9.359 -21.898 1.00 0.00 ATOM 416 CB PHE 54 22.633 8.935 -21.641 1.00 0.00 ATOM 417 CG PHE 54 23.365 8.503 -22.879 1.00 0.00 ATOM 418 CD1 PHE 54 24.252 9.357 -23.510 1.00 0.00 ATOM 419 CD2 PHE 54 23.168 7.241 -23.413 1.00 0.00 ATOM 420 CE1 PHE 54 24.927 8.960 -24.649 1.00 0.00 ATOM 421 CE2 PHE 54 23.842 6.843 -24.551 1.00 0.00 ATOM 422 CZ PHE 54 24.719 7.697 -25.169 1.00 0.00 ATOM 423 O PHE 54 19.729 8.358 -20.282 1.00 0.00 ATOM 424 C PHE 54 20.442 9.312 -20.554 1.00 0.00 ATOM 425 N SER 55 20.552 10.452 -19.751 1.00 0.00 ATOM 426 CA SER 55 19.846 10.503 -18.451 1.00 0.00 ATOM 427 CB SER 55 20.370 11.678 -17.624 1.00 0.00 ATOM 428 OG SER 55 20.049 12.916 -18.236 1.00 0.00 ATOM 429 O SER 55 17.537 10.067 -17.966 1.00 0.00 ATOM 430 C SER 55 18.350 10.685 -18.657 1.00 0.00 ATOM 431 N ASP 56 17.982 11.554 -19.589 1.00 0.00 ATOM 432 CA ASP 56 16.572 11.782 -19.851 1.00 0.00 ATOM 433 CB ASP 56 16.393 12.822 -20.959 1.00 0.00 ATOM 434 CG ASP 56 16.725 14.227 -20.496 1.00 0.00 ATOM 435 OD1 ASP 56 16.863 14.433 -19.271 1.00 0.00 ATOM 436 OD2 ASP 56 16.849 15.123 -21.358 1.00 0.00 ATOM 437 O ASP 56 14.882 10.087 -19.838 1.00 0.00 ATOM 438 C ASP 56 15.963 10.459 -20.283 1.00 0.00 ATOM 439 N ALA 57 16.675 9.749 -21.148 1.00 0.00 ATOM 440 CA ALA 57 16.206 8.465 -21.648 1.00 0.00 ATOM 441 CB ALA 57 17.177 7.909 -22.678 1.00 0.00 ATOM 442 O ALA 57 15.052 6.693 -20.513 1.00 0.00 ATOM 443 C ALA 57 16.023 7.449 -20.530 1.00 0.00 ATOM 444 N ASP 58 16.959 7.428 -19.612 1.00 0.00 ATOM 445 CA ASP 58 16.885 6.496 -18.497 1.00 0.00 ATOM 446 CB ASP 58 18.204 6.419 -17.724 1.00 0.00 ATOM 447 CG ASP 58 19.296 5.718 -18.503 1.00 0.00 ATOM 448 OD1 ASP 58 18.979 5.078 -19.528 1.00 0.00 ATOM 449 OD2 ASP 58 20.472 5.807 -18.090 1.00 0.00 ATOM 450 O ASP 58 15.034 6.001 -17.082 1.00 0.00 ATOM 451 C ASP 58 15.784 6.867 -17.513 1.00 0.00 ATOM 452 N ALA 59 15.658 8.143 -17.175 1.00 0.00 ATOM 453 CA ALA 59 14.610 8.558 -16.240 1.00 0.00 ATOM 454 CB ALA 59 14.658 10.062 -16.022 1.00 0.00 ATOM 455 O ALA 59 12.323 7.863 -16.025 1.00 0.00 ATOM 456 C ALA 59 13.214 8.227 -16.787 1.00 0.00 ATOM 457 N TYR 60 13.049 8.385 -18.089 1.00 0.00 ATOM 458 CA TYR 60 11.786 8.037 -18.748 1.00 0.00 ATOM 459 CB TYR 60 11.923 8.239 -20.258 1.00 0.00 ATOM 460 CG TYR 60 10.683 7.870 -21.040 1.00 0.00 ATOM 461 CD1 TYR 60 9.603 8.741 -21.111 1.00 0.00 ATOM 462 CD2 TYR 60 10.597 6.654 -21.706 1.00 0.00 ATOM 463 CE1 TYR 60 8.466 8.412 -21.825 1.00 0.00 ATOM 464 CE2 TYR 60 9.467 6.310 -22.424 1.00 0.00 ATOM 465 CZ TYR 60 8.397 7.202 -22.477 1.00 0.00 ATOM 466 OH TYR 60 7.265 6.873 -23.188 1.00 0.00 ATOM 467 O TYR 60 10.215 6.321 -18.187 1.00 0.00 ATOM 468 C TYR 60 11.380 6.603 -18.463 1.00 0.00 ATOM 469 N HIS 61 12.360 5.685 -18.539 1.00 0.00 ATOM 470 CA HIS 61 12.112 4.276 -18.293 1.00 0.00 ATOM 471 CB HIS 61 13.373 3.447 -18.548 1.00 0.00 ATOM 472 CG HIS 61 13.176 1.974 -18.363 1.00 0.00 ATOM 473 CD2 HIS 61 13.621 0.981 -17.397 1.00 0.00 ATOM 474 ND1 HIS 61 12.415 1.210 -19.223 1.00 0.00 ATOM 475 CE1 HIS 61 12.425 -0.065 -18.798 1.00 0.00 ATOM 476 NE2 HIS 61 13.147 -0.211 -17.704 1.00 0.00 ATOM 477 O HIS 61 10.781 3.255 -16.622 1.00 0.00 ATOM 478 C HIS 61 11.686 4.049 -16.871 1.00 0.00 ATOM 479 N LEU 62 12.375 4.696 -15.944 1.00 0.00 ATOM 480 CA LEU 62 12.043 4.573 -14.515 1.00 0.00 ATOM 481 CB LEU 62 13.053 5.331 -13.654 1.00 0.00 ATOM 482 CG LEU 62 14.463 4.738 -13.582 1.00 0.00 ATOM 483 CD1 LEU 62 15.405 5.680 -12.848 1.00 0.00 ATOM 484 CD2 LEU 62 14.450 3.407 -12.846 1.00 0.00 ATOM 485 O LEU 62 9.862 4.573 -13.517 1.00 0.00 ATOM 486 C LEU 62 10.647 5.156 -14.266 1.00 0.00 ATOM 487 N ASP 63 10.335 6.309 -14.852 1.00 0.00 ATOM 488 CA ASP 63 9.031 6.929 -14.664 1.00 0.00 ATOM 489 CB ASP 63 8.913 8.198 -15.511 1.00 0.00 ATOM 490 CG ASP 63 9.743 9.343 -14.963 1.00 0.00 ATOM 491 OD1 ASP 63 10.217 9.235 -13.812 1.00 0.00 ATOM 492 OD2 ASP 63 9.919 10.346 -15.685 1.00 0.00 ATOM 493 O ASP 63 6.843 5.952 -14.491 1.00 0.00 ATOM 494 C ASP 63 7.925 5.963 -15.079 1.00 0.00 ATOM 495 N GLN 64 8.195 5.189 -16.136 1.00 0.00 ATOM 496 CA GLN 64 7.207 4.222 -16.639 1.00 0.00 ATOM 497 CB GLN 64 7.606 3.523 -17.871 1.00 0.00 ATOM 498 CG GLN 64 7.542 4.429 -19.094 1.00 0.00 ATOM 499 CD GLN 64 8.049 3.737 -20.327 1.00 0.00 ATOM 500 OE1 GLN 64 9.118 3.126 -20.330 1.00 0.00 ATOM 501 NE2 GLN 64 7.315 3.901 -21.400 1.00 0.00 ATOM 502 O GLN 64 5.894 2.742 -15.267 1.00 0.00 ATOM 503 C GLN 64 7.044 3.158 -15.591 1.00 0.00 ATOM 504 N ALA 65 8.142 2.648 -15.025 1.00 0.00 ATOM 505 CA ALA 65 8.111 1.596 -14.029 1.00 0.00 ATOM 506 CB ALA 65 9.510 1.158 -13.621 1.00 0.00 ATOM 507 O ALA 65 6.564 1.324 -12.224 1.00 0.00 ATOM 508 C ALA 65 7.374 2.064 -12.761 1.00 0.00 ATOM 509 N PHE 66 7.655 3.291 -12.315 1.00 0.00 ATOM 510 CA PHE 66 7.019 3.795 -11.153 1.00 0.00 ATOM 511 CB PHE 66 7.586 5.167 -10.783 1.00 0.00 ATOM 512 CG PHE 66 6.956 5.775 -9.563 1.00 0.00 ATOM 513 CD1 PHE 66 7.331 5.363 -8.296 1.00 0.00 ATOM 514 CD2 PHE 66 5.991 6.758 -9.681 1.00 0.00 ATOM 515 CE1 PHE 66 6.753 5.922 -7.172 1.00 0.00 ATOM 516 CE2 PHE 66 5.412 7.316 -8.557 1.00 0.00 ATOM 517 CZ PHE 66 5.789 6.903 -7.308 1.00 0.00 ATOM 518 O PHE 66 4.711 3.612 -10.525 1.00 0.00 ATOM 519 C PHE 66 5.495 3.931 -11.424 1.00 0.00 ATOM 520 N PRO 67 5.101 4.362 -12.621 1.00 0.00 ATOM 521 CA PRO 67 3.651 4.517 -12.898 1.00 0.00 ATOM 522 CB PRO 67 3.622 5.094 -14.291 1.00 0.00 ATOM 523 CG PRO 67 4.790 6.010 -14.272 1.00 0.00 ATOM 524 CD PRO 67 5.865 5.138 -13.612 1.00 0.00 ATOM 525 O PRO 67 1.780 3.087 -12.301 1.00 0.00 ATOM 526 C PRO 67 2.926 3.168 -12.773 1.00 0.00 ATOM 527 N LEU 68 3.582 2.084 -13.205 1.00 0.00 ATOM 528 CA LEU 68 2.980 0.751 -13.177 1.00 0.00 ATOM 529 CB LEU 68 4.005 -0.307 -13.594 1.00 0.00 ATOM 530 CG LEU 68 4.412 -0.310 -15.069 1.00 0.00 ATOM 531 CD1 LEU 68 5.550 -1.291 -15.311 1.00 0.00 ATOM 532 CD2 LEU 68 3.241 -0.715 -15.950 1.00 0.00 ATOM 533 O LEU 68 1.483 -0.299 -11.625 1.00 0.00 ATOM 534 C LEU 68 2.505 0.374 -11.777 1.00 0.00 ATOM 535 N LEU 69 3.237 0.794 -10.630 1.00 0.00 ATOM 536 CA LEU 69 2.867 0.494 -9.250 1.00 0.00 ATOM 537 CB LEU 69 3.815 1.171 -8.258 1.00 0.00 ATOM 538 CG LEU 69 3.543 0.912 -6.775 1.00 0.00 ATOM 539 CD1 LEU 69 3.665 -0.571 -6.457 1.00 0.00 ATOM 540 CD2 LEU 69 4.536 1.668 -5.905 1.00 0.00 ATOM 541 O LEU 69 0.711 0.319 -8.218 1.00 0.00 ATOM 542 C LEU 69 1.459 0.977 -8.941 1.00 0.00 ATOM 543 N MET 70 1.102 2.139 -9.475 1.00 0.00 ATOM 544 CA MET 70 -0.219 2.689 -9.223 1.00 0.00 ATOM 545 CB MET 70 -0.316 4.120 -9.759 1.00 0.00 ATOM 546 CG MET 70 0.505 5.132 -8.976 1.00 0.00 ATOM 547 SD MET 70 0.180 6.832 -9.482 1.00 0.00 ATOM 548 CE MET 70 1.053 6.893 -11.045 1.00 0.00 ATOM 549 O MET 70 -2.363 1.635 -9.318 1.00 0.00 ATOM 550 C MET 70 -1.284 1.824 -9.874 1.00 0.00 ATOM 551 N LYS 71 -0.951 1.242 -11.018 1.00 0.00 ATOM 552 CA LYS 71 -1.892 0.383 -11.715 1.00 0.00 ATOM 553 CB LYS 71 -1.348 0.014 -13.097 1.00 0.00 ATOM 554 CG LYS 71 -1.285 1.179 -14.070 1.00 0.00 ATOM 555 CD LYS 71 -0.742 0.742 -15.421 1.00 0.00 ATOM 556 CE LYS 71 -0.647 1.914 -16.384 1.00 0.00 ATOM 557 NZ LYS 71 -0.094 1.505 -17.704 1.00 0.00 ATOM 558 O LYS 71 -3.284 -1.314 -10.744 1.00 0.00 ATOM 559 C LYS 71 -2.142 -0.893 -10.918 1.00 0.00 ATOM 560 N GLN 72 -1.047 -1.486 -10.428 1.00 0.00 ATOM 561 CA GLN 72 -1.172 -2.708 -9.667 1.00 0.00 ATOM 562 CB GLN 72 0.197 -3.363 -9.478 1.00 0.00 ATOM 563 CG GLN 72 0.789 -3.943 -10.754 1.00 0.00 ATOM 564 CD GLN 72 2.191 -4.484 -10.551 1.00 0.00 ATOM 565 OE1 GLN 72 2.774 -4.340 -9.478 1.00 0.00 ATOM 566 NE2 GLN 72 2.737 -5.110 -11.588 1.00 0.00 ATOM 567 O GLN 72 -2.512 -3.206 -7.701 1.00 0.00 ATOM 568 C GLN 72 -1.775 -2.404 -8.297 1.00 0.00 ATOM 569 N LEU 73 -1.313 -1.291 -7.715 1.00 0.00 ATOM 570 CA LEU 73 -1.665 -0.939 -6.344 1.00 0.00 ATOM 571 CB LEU 73 -0.836 0.256 -5.872 1.00 0.00 ATOM 572 CG LEU 73 -1.071 0.717 -4.431 1.00 0.00 ATOM 573 CD1 LEU 73 -0.740 -0.397 -3.450 1.00 0.00 ATOM 574 CD2 LEU 73 -0.198 1.918 -4.101 1.00 0.00 ATOM 575 O LEU 73 -3.791 -0.904 -5.237 1.00 0.00 ATOM 576 C LEU 73 -3.134 -0.560 -6.220 1.00 0.00 ATOM 577 N GLU 74 -3.664 0.114 -7.236 1.00 0.00 ATOM 578 CA GLU 74 -5.060 0.524 -7.204 1.00 0.00 ATOM 579 CB GLU 74 -5.269 1.581 -8.366 1.00 0.00 ATOM 580 CG GLU 74 -4.474 2.893 -8.071 1.00 0.00 ATOM 581 CD GLU 74 -4.616 3.781 -9.416 1.00 0.00 ATOM 582 OE1 GLU 74 -4.691 3.373 -10.596 1.00 0.00 ATOM 583 OE2 GLU 74 -4.757 4.980 -9.105 1.00 0.00 ATOM 584 O GLU 74 -7.084 -0.677 -6.748 1.00 0.00 ATOM 585 C GLU 74 -5.958 -0.703 -7.239 1.00 0.00 ATOM 586 N LEU 75 -5.656 -1.756 -8.034 1.00 0.00 ATOM 587 CA LEU 75 -6.432 -2.984 -8.125 1.00 0.00 ATOM 588 CB LEU 75 -5.756 -3.977 -9.071 1.00 0.00 ATOM 589 CG LEU 75 -5.730 -3.593 -10.552 1.00 0.00 ATOM 590 CD1 LEU 75 -4.899 -4.585 -11.351 1.00 0.00 ATOM 591 CD2 LEU 75 -7.137 -3.579 -11.129 1.00 0.00 ATOM 592 O LEU 75 -7.543 -4.176 -6.361 1.00 0.00 ATOM 593 C LEU 75 -6.526 -3.588 -6.730 1.00 0.00 ATOM 594 N MET 76 -5.462 -3.427 -5.950 1.00 0.00 ATOM 595 CA MET 76 -5.442 -3.944 -4.590 1.00 0.00 ATOM 596 CB MET 76 -4.028 -3.871 -4.010 1.00 0.00 ATOM 597 CG MET 76 -3.038 -4.817 -4.670 1.00 0.00 ATOM 598 SD MET 76 -3.536 -6.546 -4.544 1.00 0.00 ATOM 599 CE MET 76 -3.364 -6.819 -2.782 1.00 0.00 ATOM 600 O MET 76 -7.169 -3.630 -2.940 1.00 0.00 ATOM 601 C MET 76 -6.436 -3.107 -3.786 1.00 0.00 ATOM 602 N LEU 77 -6.476 -1.808 -4.061 1.00 0.00 ATOM 603 CA LEU 77 -7.396 -0.925 -3.356 1.00 0.00 ATOM 604 CB LEU 77 -7.138 0.526 -3.767 1.00 0.00 ATOM 605 CG LEU 77 -5.797 1.124 -3.337 1.00 0.00 ATOM 606 CD1 LEU 77 -5.592 2.493 -3.968 1.00 0.00 ATOM 607 CD2 LEU 77 -5.739 1.283 -1.826 1.00 0.00 ATOM 608 O LEU 77 -9.668 -1.370 -2.729 1.00 0.00 ATOM 609 C LEU 77 -8.855 -1.262 -3.649 1.00 0.00 ATOM 610 N THR 78 -9.182 -1.458 -4.922 1.00 0.00 ATOM 611 CA THR 78 -10.550 -1.815 -5.289 1.00 0.00 ATOM 612 CB THR 78 -10.703 -1.971 -6.812 1.00 0.00 ATOM 613 CG2 THR 78 -12.123 -2.389 -7.165 1.00 0.00 ATOM 614 OG1 THR 78 -10.413 -0.723 -7.455 1.00 0.00 ATOM 615 O THR 78 -11.997 -3.335 -4.110 1.00 0.00 ATOM 616 C THR 78 -10.884 -3.142 -4.596 1.00 0.00 ATOM 617 N SER 79 -9.901 -4.020 -4.524 1.00 0.00 ATOM 618 CA SER 79 -10.093 -5.315 -3.873 1.00 0.00 ATOM 619 CB SER 79 -8.891 -6.221 -4.147 1.00 0.00 ATOM 620 OG SER 79 -8.765 -6.497 -5.530 1.00 0.00 ATOM 621 O SER 79 -10.505 -6.132 -1.653 1.00 0.00 ATOM 622 C SER 79 -10.247 -5.159 -2.361 1.00 0.00 ATOM 623 N GLY 80 -10.078 -3.933 -1.874 1.00 0.00 ATOM 624 CA GLY 80 -10.213 -3.676 -0.451 1.00 0.00 ATOM 625 O GLY 80 -9.340 -4.552 1.588 1.00 0.00 ATOM 626 C GLY 80 -9.100 -4.209 0.431 1.00 0.00 ATOM 627 N GLU 81 -7.895 -4.325 -0.117 1.00 0.00 ATOM 628 CA GLU 81 -6.754 -4.813 0.657 1.00 0.00 ATOM 629 CB GLU 81 -5.753 -5.501 -0.273 1.00 0.00 ATOM 630 CG GLU 81 -6.285 -6.763 -0.934 1.00 0.00 ATOM 631 CD GLU 81 -6.675 -7.827 0.073 1.00 0.00 ATOM 632 OE1 GLU 81 -5.837 -8.165 0.935 1.00 0.00 ATOM 633 OE2 GLU 81 -7.819 -8.324 -0.001 1.00 0.00 ATOM 634 O GLU 81 -5.455 -3.857 2.434 1.00 0.00 ATOM 635 C GLU 81 -6.054 -3.667 1.376 1.00 0.00 ATOM 636 N LEU 82 -6.126 -2.487 0.773 1.00 0.00 ATOM 637 CA LEU 82 -5.511 -1.282 1.317 1.00 0.00 ATOM 638 CB LEU 82 -4.303 -0.904 0.485 1.00 0.00 ATOM 639 CG LEU 82 -3.461 0.261 0.997 1.00 0.00 ATOM 640 CD1 LEU 82 -2.793 -0.099 2.311 1.00 0.00 ATOM 641 CD2 LEU 82 -2.421 0.626 -0.046 1.00 0.00 ATOM 642 O LEU 82 -7.232 -0.159 0.086 1.00 0.00 ATOM 643 C LEU 82 -6.386 -0.084 0.981 1.00 0.00 ATOM 644 N ASN 83 -6.174 1.016 1.707 1.00 0.00 ATOM 645 CA ASN 83 -6.936 2.244 1.487 1.00 0.00 ATOM 646 CB ASN 83 -6.368 3.385 2.333 1.00 0.00 ATOM 647 CG ASN 83 -6.653 3.211 3.812 1.00 0.00 ATOM 648 ND2 ASN 83 -5.846 3.854 4.648 1.00 0.00 ATOM 649 OD1 ASN 83 -7.587 2.508 4.195 1.00 0.00 ATOM 650 O ASN 83 -5.885 2.257 -0.666 1.00 0.00 ATOM 651 C ASN 83 -6.843 2.624 0.013 1.00 0.00 ATOM 652 N PRO 84 -7.838 3.364 -0.503 1.00 0.00 ATOM 653 CA PRO 84 -7.859 3.794 -1.905 1.00 0.00 ATOM 654 CB PRO 84 -9.121 4.651 -2.010 1.00 0.00 ATOM 655 CG PRO 84 -10.014 4.136 -0.932 1.00 0.00 ATOM 656 CD PRO 84 -9.115 3.782 0.220 1.00 0.00 ATOM 657 O PRO 84 -6.238 4.589 -3.490 1.00 0.00 ATOM 658 C PRO 84 -6.629 4.603 -2.318 1.00 0.00 ATOM 659 N ARG 85 -6.079 5.372 -1.386 1.00 0.00 ATOM 660 CA ARG 85 -4.898 6.181 -1.675 1.00 0.00 ATOM 661 CB ARG 85 -4.641 7.177 -0.543 1.00 0.00 ATOM 662 CG ARG 85 -5.799 8.128 -0.278 1.00 0.00 ATOM 663 CD ARG 85 -5.900 9.189 -1.361 1.00 0.00 ATOM 664 NE ARG 85 -6.934 10.178 -1.063 1.00 0.00 ATOM 665 CZ ARG 85 -7.217 11.221 -1.836 1.00 0.00 ATOM 666 NH1 ARG 85 -8.174 12.068 -1.485 1.00 0.00 ATOM 667 NH2 ARG 85 -6.541 11.413 -2.962 1.00 0.00 ATOM 668 O ARG 85 -3.522 4.275 -1.269 1.00 0.00 ATOM 669 C ARG 85 -3.625 5.353 -1.831 1.00 0.00 ATOM 670 N HIS 86 -2.657 5.882 -2.573 1.00 0.00 ATOM 671 CA HIS 86 -1.400 5.196 -2.831 1.00 0.00 ATOM 672 CB HIS 86 -0.799 5.910 -4.147 1.00 0.00 ATOM 673 CG HIS 86 -1.540 5.688 -5.428 1.00 0.00 ATOM 674 CD2 HIS 86 -2.360 4.686 -5.829 1.00 0.00 ATOM 675 ND1 HIS 86 -1.409 6.533 -6.510 1.00 0.00 ATOM 676 CE1 HIS 86 -2.112 6.057 -7.524 1.00 0.00 ATOM 677 NE2 HIS 86 -2.698 4.936 -7.136 1.00 0.00 ATOM 678 O HIS 86 0.352 4.277 -1.545 1.00 0.00 ATOM 679 C HIS 86 -0.499 5.162 -1.630 1.00 0.00 ATOM 680 N GLN 87 -0.667 6.158 -0.746 1.00 0.00 ATOM 681 CA GLN 87 0.074 6.290 0.489 1.00 0.00 ATOM 682 CB GLN 87 0.841 7.615 0.514 1.00 0.00 ATOM 683 CG GLN 87 1.813 7.792 -0.641 1.00 0.00 ATOM 684 CD GLN 87 2.970 6.815 -0.582 1.00 0.00 ATOM 685 OE1 GLN 87 3.536 6.571 0.484 1.00 0.00 ATOM 686 NE2 GLN 87 3.329 6.254 -1.731 1.00 0.00 ATOM 687 O GLN 87 -1.955 6.806 1.648 1.00 0.00 ATOM 688 C GLN 87 -0.857 6.269 1.685 1.00 0.00 ATOM 689 N HIS 88 -0.371 5.689 2.761 1.00 0.00 ATOM 690 CA HIS 88 -1.099 5.630 4.020 1.00 0.00 ATOM 691 CB HIS 88 -1.688 4.269 4.287 1.00 0.00 ATOM 692 CG HIS 88 -0.731 3.132 4.529 1.00 0.00 ATOM 693 CD2 HIS 88 -0.910 2.045 5.310 1.00 0.00 ATOM 694 ND1 HIS 88 0.475 2.919 3.894 1.00 0.00 ATOM 695 CE1 HIS 88 1.011 1.783 4.326 1.00 0.00 ATOM 696 NE2 HIS 88 0.184 1.240 5.184 1.00 0.00 ATOM 697 O HIS 88 1.031 6.315 4.975 1.00 0.00 ATOM 698 C HIS 88 -0.203 6.172 5.149 1.00 0.00 ATOM 699 N THR 89 -0.832 6.483 6.281 1.00 0.00 ATOM 700 CA THR 89 -0.097 6.754 7.500 1.00 0.00 ATOM 701 CB THR 89 -0.439 8.133 8.092 1.00 0.00 ATOM 702 CG2 THR 89 0.331 8.365 9.383 1.00 0.00 ATOM 703 OG1 THR 89 -0.090 9.159 7.154 1.00 0.00 ATOM 704 O THR 89 -1.542 5.273 8.688 1.00 0.00 ATOM 705 C THR 89 -0.408 5.734 8.557 1.00 0.00 ATOM 706 N VAL 90 0.629 5.385 9.308 1.00 0.00 ATOM 707 CA VAL 90 0.531 4.577 10.492 1.00 0.00 ATOM 708 CB VAL 90 1.224 3.219 10.304 1.00 0.00 ATOM 709 CG1 VAL 90 1.153 2.359 11.547 1.00 0.00 ATOM 710 CG2 VAL 90 0.618 2.477 9.100 1.00 0.00 ATOM 711 O VAL 90 2.358 5.702 11.569 1.00 0.00 ATOM 712 C VAL 90 1.203 5.309 11.660 1.00 0.00 ATOM 713 N THR 91 0.457 5.499 12.732 1.00 0.00 ATOM 714 CA THR 91 0.979 5.986 14.000 1.00 0.00 ATOM 715 CB THR 91 0.965 7.269 14.416 1.00 0.00 ATOM 716 CG2 THR 91 1.064 7.347 15.941 1.00 0.00 ATOM 717 OG1 THR 91 2.149 7.835 13.839 1.00 0.00 ATOM 718 O THR 91 -0.314 4.494 15.322 1.00 0.00 ATOM 719 C THR 91 0.804 4.928 15.093 1.00 0.00 ATOM 720 N LEU 92 1.811 4.647 15.897 1.00 0.00 ATOM 721 CA LEU 92 1.771 3.796 17.063 1.00 0.00 ATOM 722 CB LEU 92 3.022 2.916 17.096 1.00 0.00 ATOM 723 CG LEU 92 3.202 1.947 15.926 1.00 0.00 ATOM 724 CD1 LEU 92 4.511 1.184 16.055 1.00 0.00 ATOM 725 CD2 LEU 92 2.064 0.936 15.886 1.00 0.00 ATOM 726 O LEU 92 2.687 5.357 18.678 1.00 0.00 ATOM 727 C LEU 92 1.752 4.602 18.348 1.00 0.00 ATOM 728 N TYR 93 0.691 4.368 19.100 1.00 0.00 ATOM 729 CA TYR 93 0.514 4.997 20.399 1.00 0.00 ATOM 730 CB TYR 93 -0.795 5.789 20.437 1.00 0.00 ATOM 731 CG TYR 93 -0.834 6.953 19.472 1.00 0.00 ATOM 732 CD1 TYR 93 -1.304 6.787 18.176 1.00 0.00 ATOM 733 CD2 TYR 93 -0.400 8.214 19.861 1.00 0.00 ATOM 734 CE1 TYR 93 -1.344 7.845 17.288 1.00 0.00 ATOM 735 CE2 TYR 93 -0.433 9.285 18.987 1.00 0.00 ATOM 736 CZ TYR 93 -0.910 9.089 17.692 1.00 0.00 ATOM 737 OH TYR 93 -0.948 10.144 16.809 1.00 0.00 ATOM 738 O TYR 93 -0.521 3.169 21.533 1.00 0.00 ATOM 739 C TYR 93 0.442 3.930 21.477 1.00 0.00 ATOM 740 N ALA 94 1.467 3.850 22.295 1.00 0.00 ATOM 741 CA ALA 94 1.611 2.700 23.191 1.00 0.00 ATOM 742 CB ALA 94 2.947 2.769 23.916 1.00 0.00 ATOM 743 O ALA 94 -0.155 1.689 24.474 1.00 0.00 ATOM 744 C ALA 94 0.444 2.723 24.187 1.00 0.00 ATOM 745 N LYS 95 0.138 4.164 24.550 1.00 0.00 ATOM 746 CA LYS 95 -1.070 4.358 25.359 1.00 0.00 ATOM 747 CB LYS 95 -1.312 5.840 25.637 1.00 0.00 ATOM 748 CG LYS 95 -0.359 6.473 26.679 1.00 0.00 ATOM 749 CD LYS 95 -0.434 7.999 26.686 1.00 0.00 ATOM 750 CE LYS 95 -1.849 8.541 26.983 1.00 0.00 ATOM 751 NZ LYS 95 -1.939 10.031 26.950 1.00 0.00 ATOM 752 O LYS 95 -3.112 3.145 25.306 1.00 0.00 ATOM 753 C LYS 95 -2.313 3.815 24.683 1.00 0.00 ATOM 754 N GLY 96 -2.492 4.117 23.419 1.00 0.00 ATOM 755 CA GLY 96 -3.678 3.696 22.709 1.00 0.00 ATOM 756 O GLY 96 -4.873 1.616 22.827 1.00 0.00 ATOM 757 C GLY 96 -3.778 2.191 22.675 1.00 0.00 ATOM 758 N LEU 97 -2.643 1.526 22.483 1.00 0.00 ATOM 759 CA LEU 97 -2.621 0.068 22.427 1.00 0.00 ATOM 760 CB LEU 97 -0.893 -0.166 22.293 1.00 0.00 ATOM 761 CG LEU 97 -0.210 -0.605 23.591 1.00 0.00 ATOM 762 CD1 LEU 97 -0.512 -2.070 23.901 1.00 0.00 ATOM 763 CD2 LEU 97 1.294 -0.421 23.422 1.00 0.00 ATOM 764 O LEU 97 -3.684 -1.511 23.874 1.00 0.00 ATOM 765 C LEU 97 -2.939 -0.548 23.791 1.00 0.00 ATOM 766 N THR 98 -2.404 1.070 20.673 1.00 0.00 ATOM 767 CA THR 98 -2.943 0.881 19.330 1.00 0.00 ATOM 768 CB THR 98 -4.414 1.333 19.243 1.00 0.00 ATOM 769 CG2 THR 98 -4.522 2.837 19.437 1.00 0.00 ATOM 770 OG1 THR 98 -4.947 0.991 17.958 1.00 0.00 ATOM 771 O THR 98 -1.532 2.705 18.597 1.00 0.00 ATOM 772 C THR 98 -2.168 1.679 18.282 1.00 0.00 ATOM 773 N CYS 99 -2.245 1.221 17.038 1.00 0.00 ATOM 774 CA CYS 99 -1.757 1.971 15.885 1.00 0.00 ATOM 775 CB CYS 99 -1.047 1.049 14.917 1.00 0.00 ATOM 776 SG CYS 99 -0.337 1.936 13.505 1.00 0.00 ATOM 777 O CYS 99 -3.838 1.567 14.765 1.00 0.00 ATOM 778 C CYS 99 -2.924 2.362 14.992 1.00 0.00 ATOM 779 N LYS 100 -2.884 3.592 14.519 1.00 0.00 ATOM 780 CA LYS 100 -3.949 4.140 13.690 1.00 0.00 ATOM 781 CB LYS 100 -4.320 5.550 14.156 1.00 0.00 ATOM 782 CG LYS 100 -5.477 6.172 13.392 1.00 0.00 ATOM 783 CD LYS 100 -5.767 7.582 13.882 1.00 0.00 ATOM 784 CE LYS 100 -6.921 8.206 13.114 1.00 0.00 ATOM 785 NZ LYS 100 -7.236 9.576 13.601 1.00 0.00 ATOM 786 O LYS 100 -2.271 4.697 12.082 1.00 0.00 ATOM 787 C LYS 100 -3.345 4.142 12.301 1.00 0.00 ATOM 788 N ALA 101 -4.027 3.493 11.370 1.00 0.00 ATOM 789 CA ALA 101 -3.707 3.546 9.970 1.00 0.00 ATOM 790 CB ALA 101 -3.643 2.142 9.386 1.00 0.00 ATOM 791 O ALA 101 -5.954 4.309 9.643 1.00 0.00 ATOM 792 C ALA 101 -4.786 4.350 9.260 1.00 0.00 ATOM 793 N ASP 102 -4.385 5.126 8.297 1.00 0.00 ATOM 794 CA ASP 102 -5.312 5.924 7.504 1.00 0.00 ATOM 795 CB ASP 102 -5.596 7.267 8.184 1.00 0.00 ATOM 796 CG ASP 102 -4.364 8.146 8.272 1.00 0.00 ATOM 797 OD1 ASP 102 -3.369 7.848 7.580 1.00 0.00 ATOM 798 OD2 ASP 102 -4.395 9.136 9.033 1.00 0.00 ATOM 799 O ASP 102 -3.574 6.026 5.899 1.00 0.00 ATOM 800 C ASP 102 -4.759 6.148 6.111 1.00 0.00 ATOM 801 N THR 103 -5.628 6.502 5.158 1.00 0.00 ATOM 802 CA THR 103 -5.132 6.934 3.853 1.00 0.00 ATOM 803 CB THR 103 -6.270 7.018 2.819 1.00 0.00 ATOM 804 CG2 THR 103 -6.890 5.647 2.598 1.00 0.00 ATOM 805 OG1 THR 103 -7.284 7.915 3.290 1.00 0.00 ATOM 806 O THR 103 -4.992 9.056 4.879 1.00 0.00 ATOM 807 C THR 103 -4.536 8.312 4.020 1.00 0.00 ATOM 808 N LEU 104 -3.533 8.643 3.201 1.00 0.00 ATOM 809 CA LEU 104 -2.877 9.921 3.293 1.00 0.00 ATOM 810 CB LEU 104 -1.590 9.926 2.466 1.00 0.00 ATOM 811 CG LEU 104 -0.738 11.195 2.542 1.00 0.00 ATOM 812 CD1 LEU 104 -0.183 11.385 3.945 1.00 0.00 ATOM 813 CD2 LEU 104 0.432 11.115 1.575 1.00 0.00 ATOM 814 O LEU 104 -4.230 10.921 1.639 1.00 0.00 ATOM 815 C LEU 104 -3.802 10.972 2.774 1.00 0.00 ATOM 816 N SER 105 -4.039 11.971 3.607 1.00 0.00 ATOM 817 CA SER 105 -4.768 13.187 3.247 1.00 0.00 ATOM 818 CB SER 105 -4.098 13.882 2.058 1.00 0.00 ATOM 819 OG SER 105 -2.763 14.245 2.367 1.00 0.00 ATOM 820 O SER 105 -6.790 13.750 2.081 1.00 0.00 ATOM 821 C SER 105 -6.234 12.987 2.855 1.00 0.00 ATOM 822 N SER 106 -6.831 11.937 3.367 1.00 0.00 ATOM 823 CA SER 106 -8.227 11.599 3.074 1.00 0.00 ATOM 824 CB SER 106 -8.292 10.305 2.260 1.00 0.00 ATOM 825 OG SER 106 -9.635 9.933 2.001 1.00 0.00 ATOM 826 O SER 106 -8.466 10.580 5.172 1.00 0.00 ATOM 827 C SER 106 -8.879 11.416 4.396 1.00 0.00 ATOM 828 N CYS 107 -9.862 12.261 4.679 1.00 0.00 ATOM 829 CA CYS 107 -10.600 12.156 5.911 1.00 0.00 ATOM 830 CB CYS 107 -11.129 13.531 6.322 1.00 0.00 ATOM 831 SG CYS 107 -9.845 14.763 6.639 1.00 0.00 ATOM 832 O CYS 107 -12.247 10.935 4.570 1.00 0.00 ATOM 833 C CYS 107 -11.793 11.198 5.700 1.00 0.00 ATOM 834 N ASP 108 -12.240 10.528 6.876 1.00 0.00 ATOM 835 CA ASP 108 -13.472 9.775 6.863 1.00 0.00 ATOM 836 CB ASP 108 -14.191 9.945 5.523 1.00 0.00 ATOM 837 CG ASP 108 -14.809 11.322 5.366 1.00 0.00 ATOM 838 OD1 ASP 108 -14.913 12.045 6.379 1.00 0.00 ATOM 839 OD2 ASP 108 -15.189 11.676 4.230 1.00 0.00 ATOM 840 O ASP 108 -14.271 7.603 7.377 1.00 0.00 ATOM 841 C ASP 108 -13.290 8.287 7.061 1.00 0.00 ATOM 842 N TYR 109 -12.042 7.816 6.940 1.00 0.00 ATOM 843 CA TYR 109 -11.693 6.397 7.039 1.00 0.00 ATOM 844 CB TYR 109 -11.365 5.832 5.656 1.00 0.00 ATOM 845 CG TYR 109 -12.527 5.862 4.690 1.00 0.00 ATOM 846 CD1 TYR 109 -12.729 6.954 3.854 1.00 0.00 ATOM 847 CD2 TYR 109 -13.420 4.800 4.617 1.00 0.00 ATOM 848 CE1 TYR 109 -13.789 6.991 2.968 1.00 0.00 ATOM 849 CE2 TYR 109 -14.485 4.820 3.737 1.00 0.00 ATOM 850 CZ TYR 109 -14.664 5.927 2.909 1.00 0.00 ATOM 851 OH TYR 109 -15.721 5.962 2.027 1.00 0.00 ATOM 852 O TYR 109 -9.424 6.764 7.701 1.00 0.00 ATOM 853 C TYR 109 -10.486 6.164 7.927 1.00 0.00 ATOM 854 N VAL 110 -10.615 5.269 8.914 1.00 0.00 ATOM 855 CA VAL 110 -9.473 4.967 9.767 1.00 0.00 ATOM 856 CB VAL 110 -9.486 5.783 11.031 1.00 0.00 ATOM 857 CG1 VAL 110 -9.491 7.279 10.690 1.00 0.00 ATOM 858 CG2 VAL 110 -10.588 5.489 11.923 1.00 0.00 ATOM 859 O VAL 110 -10.522 2.842 10.110 1.00 0.00 ATOM 860 C VAL 110 -9.491 3.512 10.186 1.00 0.00 ATOM 861 N TYR 111 -8.316 3.033 10.629 1.00 0.00 ATOM 862 CA TYR 111 -8.213 1.684 11.152 1.00 0.00 ATOM 863 CB TYR 111 -7.555 0.811 10.082 1.00 0.00 ATOM 864 CG TYR 111 -8.384 0.651 8.828 1.00 0.00 ATOM 865 CD1 TYR 111 -8.257 1.544 7.772 1.00 0.00 ATOM 866 CD2 TYR 111 -9.290 -0.395 8.703 1.00 0.00 ATOM 867 CE1 TYR 111 -9.009 1.405 6.622 1.00 0.00 ATOM 868 CE2 TYR 111 -10.052 -0.549 7.560 1.00 0.00 ATOM 869 CZ TYR 111 -9.905 0.363 6.516 1.00 0.00 ATOM 870 OH TYR 111 -10.656 0.222 5.372 1.00 0.00 ATOM 871 O TYR 111 -6.405 2.414 12.397 1.00 0.00 ATOM 872 C TYR 111 -7.348 1.696 12.368 1.00 0.00 ATOM 873 N LEU 112 -7.664 0.841 13.333 1.00 0.00 ATOM 874 CA LEU 112 -6.855 0.700 14.558 1.00 0.00 ATOM 875 CB LEU 112 -7.660 1.138 15.784 1.00 0.00 ATOM 876 CG LEU 112 -8.140 2.590 15.796 1.00 0.00 ATOM 877 CD1 LEU 112 -9.033 2.851 17.000 1.00 0.00 ATOM 878 CD2 LEU 112 -6.958 3.546 15.865 1.00 0.00 ATOM 879 O LEU 112 -7.328 -1.682 14.383 1.00 0.00 ATOM 880 C LEU 112 -6.476 -0.793 14.659 1.00 0.00 ATOM 881 N ALA 113 -5.197 -1.064 14.935 1.00 0.00 ATOM 882 CA ALA 113 -4.713 -2.408 15.250 1.00 0.00 ATOM 883 CB ALA 113 -3.771 -2.903 14.162 1.00 0.00 ATOM 884 O ALA 113 -3.133 -1.462 16.804 1.00 0.00 ATOM 885 C ALA 113 -3.965 -2.334 16.592 1.00 0.00 ATOM 886 N VAL 114 -4.287 -3.240 17.510 1.00 0.00 ATOM 887 CA VAL 114 -3.655 -3.304 18.806 1.00 0.00 ATOM 888 CB VAL 114 -4.560 -3.997 19.842 1.00 0.00 ATOM 889 CG1 VAL 114 -3.816 -4.196 21.152 1.00 0.00 ATOM 890 CG2 VAL 114 -5.797 -3.155 20.115 1.00 0.00 ATOM 891 O VAL 114 -2.390 -5.122 17.927 1.00 0.00 ATOM 892 C VAL 114 -2.379 -4.120 18.639 1.00 0.00 ATOM 893 N TYR 115 -1.305 -3.760 19.319 1.00 0.00 ATOM 894 CA TYR 115 -0.039 -4.473 19.233 1.00 0.00 ATOM 895 CB TYR 115 0.948 -3.701 18.337 1.00 0.00 ATOM 896 CG TYR 115 0.507 -3.478 16.910 1.00 0.00 ATOM 897 CD1 TYR 115 -0.291 -2.366 16.564 1.00 0.00 ATOM 898 CD2 TYR 115 0.883 -4.373 15.891 1.00 0.00 ATOM 899 CE1 TYR 115 -0.707 -2.157 15.229 1.00 0.00 ATOM 900 CE2 TYR 115 0.467 -4.172 14.542 1.00 0.00 ATOM 901 CZ TYR 115 -0.328 -3.060 14.227 1.00 0.00 ATOM 902 OH TYR 115 -0.756 -2.865 12.936 1.00 0.00 ATOM 903 O TYR 115 0.351 -3.855 21.517 1.00 0.00 ATOM 904 C TYR 115 0.618 -4.621 20.596 1.00 0.00 ATOM 905 N PRO 116 1.488 -5.608 20.729 1.00 0.00 ATOM 906 CA PRO 116 2.171 -5.840 22.000 1.00 0.00 ATOM 907 CB PRO 116 2.859 -7.195 21.813 1.00 0.00 ATOM 908 CG PRO 116 3.129 -7.276 20.348 1.00 0.00 ATOM 909 CD PRO 116 1.965 -6.608 19.672 1.00 0.00 ATOM 910 O PRO 116 3.996 -4.377 21.481 1.00 0.00 ATOM 911 C PRO 116 3.223 -4.801 22.338 1.00 0.00 ATOM 912 N THR 117 3.336 -4.522 23.665 1.00 0.00 ATOM 913 CA THR 117 4.354 -3.570 24.111 1.00 0.00 ATOM 914 CB THR 117 4.253 -3.321 25.627 1.00 0.00 ATOM 915 CG2 THR 117 5.352 -2.376 26.087 1.00 0.00 ATOM 916 OG1 THR 117 2.980 -2.736 25.934 1.00 0.00 ATOM 917 O THR 117 6.576 -3.404 23.269 1.00 0.00 ATOM 918 C THR 117 5.733 -4.148 23.779 1.00 0.00 ATOM 919 N PRO 118 6.188 -5.504 23.941 1.00 0.00 ATOM 920 CA PRO 118 7.531 -5.980 23.564 1.00 0.00 ATOM 921 CB PRO 118 7.532 -7.449 23.996 1.00 0.00 ATOM 922 CG PRO 118 6.149 -7.827 24.116 1.00 0.00 ATOM 923 CD PRO 118 5.399 -6.570 24.603 1.00 0.00 ATOM 924 O PRO 118 9.012 -5.500 21.794 1.00 0.00 ATOM 925 C PRO 118 7.864 -5.839 22.098 1.00 0.00 ATOM 926 N GLU 119 6.923 -6.000 21.213 1.00 0.00 ATOM 927 CA GLU 119 7.130 -5.833 19.773 1.00 0.00 ATOM 928 CB GLU 119 5.906 -6.322 18.995 1.00 0.00 ATOM 929 CG GLU 119 6.057 -6.240 17.485 1.00 0.00 ATOM 930 CD GLU 119 4.850 -6.784 16.748 1.00 0.00 ATOM 931 OE1 GLU 119 3.898 -7.237 17.420 1.00 0.00 ATOM 932 OE2 GLU 119 4.855 -6.761 15.500 1.00 0.00 ATOM 933 O GLU 119 8.274 -4.028 18.670 1.00 0.00 ATOM 934 C GLU 119 7.364 -4.362 19.433 1.00 0.00 ATOM 935 N MET 120 6.567 -3.491 20.041 1.00 0.00 ATOM 936 CA MET 120 6.698 -2.054 19.828 1.00 0.00 ATOM 937 CB MET 120 5.521 -1.308 20.463 1.00 0.00 ATOM 938 CG MET 120 4.192 -1.539 19.764 1.00 0.00 ATOM 939 SD MET 120 2.829 -0.665 20.558 1.00 0.00 ATOM 940 CE MET 120 3.246 1.034 20.174 1.00 0.00 ATOM 941 O MET 120 8.599 -0.595 19.868 1.00 0.00 ATOM 942 C MET 120 7.987 -1.504 20.432 1.00 0.00 ATOM 943 N LYS 121 8.401 -2.068 21.564 1.00 0.00 ATOM 944 CA LYS 121 9.655 -1.682 22.208 1.00 0.00 ATOM 945 CB LYS 121 9.781 -2.350 23.578 1.00 0.00 ATOM 946 CG LYS 121 11.035 -1.965 24.345 1.00 0.00 ATOM 947 CD LYS 121 11.057 -2.602 25.726 1.00 0.00 ATOM 948 CE LYS 121 12.326 -2.240 26.480 1.00 0.00 ATOM 949 NZ LYS 121 12.367 -2.868 27.830 1.00 0.00 ATOM 950 O LYS 121 11.801 -1.321 21.200 1.00 0.00 ATOM 951 C LYS 121 10.862 -2.099 21.371 1.00 0.00 ATOM 952 N ASN 122 10.824 -3.318 20.837 1.00 0.00 ATOM 953 CA ASN 122 11.928 -3.839 20.031 1.00 0.00 ATOM 954 CB ASN 122 11.706 -5.317 19.696 1.00 0.00 ATOM 955 CG ASN 122 11.959 -6.228 20.882 1.00 0.00 ATOM 956 ND2 ASN 122 11.135 -7.261 21.022 1.00 0.00 ATOM 957 OD1 ASN 122 12.887 -6.009 21.660 1.00 0.00 ATOM 958 O ASN 122 13.266 -2.823 18.320 1.00 0.00 ATOM 959 C ASN 122 12.134 -3.031 18.753 1.00 0.00 TER END