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 2 Sun Jul 9 13:35:28 2006 MODEL 2 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 -2.519 -4.945 13.062 1.00 0.00 ATOM 2 CA MET 1 -2.220 -6.383 13.279 1.00 0.00 ATOM 3 CB MET 1 -2.892 -7.262 12.218 1.00 0.00 ATOM 4 CG MET 1 -4.393 -7.160 12.115 1.00 0.00 ATOM 5 SD MET 1 -5.002 -8.244 10.802 1.00 0.00 ATOM 6 CE MET 1 -4.386 -7.417 9.328 1.00 0.00 ATOM 7 O MET 1 -0.110 -5.819 12.324 1.00 0.00 ATOM 8 C MET 1 -0.731 -6.555 13.095 1.00 0.00 ATOM 9 N SER 2 -0.187 -7.559 13.775 1.00 0.00 ATOM 10 CA SER 2 1.234 -7.864 13.711 1.00 0.00 ATOM 11 CB SER 2 1.524 -9.121 14.528 1.00 0.00 ATOM 12 OG SER 2 1.320 -8.914 15.898 1.00 0.00 ATOM 13 O SER 2 2.917 -8.099 12.036 1.00 0.00 ATOM 14 C SER 2 1.725 -8.225 12.316 1.00 0.00 ATOM 15 N ASP 3 0.824 -8.664 11.439 1.00 0.00 ATOM 16 CA ASP 3 1.217 -9.032 10.084 1.00 0.00 ATOM 17 CB ASP 3 0.708 -10.413 9.667 1.00 0.00 ATOM 18 CG ASP 3 -0.794 -10.552 9.815 1.00 0.00 ATOM 19 OD1 ASP 3 -1.420 -9.637 10.392 1.00 0.00 ATOM 20 OD2 ASP 3 -1.345 -11.572 9.354 1.00 0.00 ATOM 21 O ASP 3 1.070 -8.135 7.874 1.00 0.00 ATOM 22 C ASP 3 0.841 -7.957 9.068 1.00 0.00 ATOM 23 N THR 4 0.080 -6.880 9.566 1.00 0.00 ATOM 24 CA THR 4 -0.434 -5.847 8.706 1.00 0.00 ATOM 25 CB THR 4 -1.789 -6.272 8.075 1.00 0.00 ATOM 26 CG2 THR 4 -2.388 -5.165 7.222 1.00 0.00 ATOM 27 OG1 THR 4 -1.584 -7.433 7.262 1.00 0.00 ATOM 28 O THR 4 -0.897 -4.609 10.686 1.00 0.00 ATOM 29 C THR 4 -0.651 -4.580 9.486 1.00 0.00 ATOM 30 N LEU 5 -0.613 -3.429 8.771 1.00 0.00 ATOM 31 CA LEU 5 -0.832 -2.128 9.402 1.00 0.00 ATOM 32 CB LEU 5 0.524 -1.419 9.401 1.00 0.00 ATOM 33 CG LEU 5 1.607 -2.024 10.296 1.00 0.00 ATOM 34 CD1 LEU 5 2.954 -1.374 10.023 1.00 0.00 ATOM 35 CD2 LEU 5 1.266 -1.817 11.764 1.00 0.00 ATOM 36 O LEU 5 -1.756 -1.198 7.401 1.00 0.00 ATOM 37 C LEU 5 -1.788 -1.238 8.624 1.00 0.00 ATOM 38 N PRO 6 -2.703 -0.573 9.369 1.00 0.00 ATOM 39 CA PRO 6 -3.659 0.326 8.719 1.00 0.00 ATOM 40 CB PRO 6 -4.848 0.324 9.674 1.00 0.00 ATOM 41 CG PRO 6 -4.229 0.072 11.030 1.00 0.00 ATOM 42 CD PRO 6 -2.877 -0.584 10.832 1.00 0.00 ATOM 43 O PRO 6 -2.683 2.216 9.839 1.00 0.00 ATOM 44 C PRO 6 -3.081 1.741 8.770 1.00 0.00 ATOM 45 N GLY 7 -3.026 2.400 7.617 1.00 0.00 ATOM 46 CA GLY 7 -2.472 3.755 7.495 1.00 0.00 ATOM 47 O GLY 7 -4.153 4.283 5.850 1.00 0.00 ATOM 48 C GLY 7 -3.444 4.691 6.771 1.00 0.00 ATOM 49 N THR 8 -3.479 5.941 7.215 1.00 0.00 ATOM 50 CA THR 8 -4.339 6.963 6.627 1.00 0.00 ATOM 51 CB THR 8 -5.332 7.528 7.659 1.00 0.00 ATOM 52 CG2 THR 8 -6.221 8.583 7.022 1.00 0.00 ATOM 53 OG1 THR 8 -6.154 6.468 8.162 1.00 0.00 ATOM 54 O THR 8 -2.524 8.537 6.748 1.00 0.00 ATOM 55 C THR 8 -3.475 8.091 6.095 1.00 0.00 ATOM 56 N THR 9 -3.840 8.621 4.919 1.00 0.00 ATOM 57 CA THR 9 -3.304 9.857 4.389 1.00 0.00 ATOM 58 CB THR 9 -2.855 9.660 2.956 1.00 0.00 ATOM 59 CG2 THR 9 -2.121 10.904 2.463 1.00 0.00 ATOM 60 OG1 THR 9 -1.860 8.628 2.899 1.00 0.00 ATOM 61 O THR 9 -5.537 10.479 3.775 1.00 0.00 ATOM 62 C THR 9 -4.485 10.817 4.326 1.00 0.00 ATOM 63 N LEU 10 -4.340 12.007 4.841 1.00 0.00 ATOM 64 CA LEU 10 -5.400 13.001 4.937 1.00 0.00 ATOM 65 CB LEU 10 -5.680 13.395 6.390 1.00 0.00 ATOM 66 CG LEU 10 -6.048 12.255 7.342 1.00 0.00 ATOM 67 CD1 LEU 10 -6.127 12.756 8.775 1.00 0.00 ATOM 68 CD2 LEU 10 -7.398 11.659 6.971 1.00 0.00 ATOM 69 O LEU 10 -4.125 14.541 3.617 1.00 0.00 ATOM 70 C LEU 10 -5.167 14.333 4.225 1.00 0.00 ATOM 71 N PRO 11 -6.209 15.285 4.379 1.00 0.00 ATOM 72 CA PRO 11 -6.023 16.579 3.708 1.00 0.00 ATOM 73 CB PRO 11 -7.335 17.301 3.998 1.00 0.00 ATOM 74 CG PRO 11 -8.322 16.179 3.971 1.00 0.00 ATOM 75 CD PRO 11 -7.613 15.121 4.802 1.00 0.00 ATOM 76 O PRO 11 -4.499 18.341 3.545 1.00 0.00 ATOM 77 C PRO 11 -4.870 17.388 4.220 1.00 0.00 ATOM 78 N ASP 12 -4.338 17.068 5.408 1.00 0.00 ATOM 79 CA ASP 12 -3.237 17.850 5.995 1.00 0.00 ATOM 80 CB ASP 12 -3.256 17.692 7.516 1.00 0.00 ATOM 81 CG ASP 12 -3.016 16.261 7.956 1.00 0.00 ATOM 82 OD1 ASP 12 -2.856 15.388 7.077 1.00 0.00 ATOM 83 OD2 ASP 12 -2.989 16.013 9.181 1.00 0.00 ATOM 84 O ASP 12 -0.834 17.681 6.006 1.00 0.00 ATOM 85 C ASP 12 -1.889 17.337 5.472 1.00 0.00 ATOM 86 N ASP 13 -1.932 16.506 4.427 1.00 0.00 ATOM 87 CA ASP 13 -0.732 15.951 3.796 1.00 0.00 ATOM 88 CB ASP 13 0.103 17.073 3.175 1.00 0.00 ATOM 89 CG ASP 13 -0.576 17.710 1.979 1.00 0.00 ATOM 90 OD1 ASP 13 -1.530 17.105 1.444 1.00 0.00 ATOM 91 OD2 ASP 13 -0.154 18.814 1.575 1.00 0.00 ATOM 92 O ASP 13 1.368 15.128 4.586 1.00 0.00 ATOM 93 C ASP 13 0.141 15.171 4.733 1.00 0.00 ATOM 94 N ASN 14 -0.557 14.551 5.589 1.00 0.00 ATOM 95 CA ASN 14 0.115 13.673 6.518 1.00 0.00 ATOM 96 CB ASN 14 -0.075 14.223 7.932 1.00 0.00 ATOM 97 CG ASN 14 0.745 13.475 8.965 1.00 0.00 ATOM 98 ND2 ASN 14 0.303 13.519 10.216 1.00 0.00 ATOM 99 OD1 ASN 14 1.762 12.864 8.638 1.00 0.00 ATOM 100 O ASN 14 -1.643 12.065 6.241 1.00 0.00 ATOM 101 C ASN 14 -0.449 12.259 6.490 1.00 0.00 ATOM 102 N HIS 15 0.604 11.339 6.654 1.00 0.00 ATOM 103 CA HIS 15 0.336 9.913 6.770 1.00 0.00 ATOM 104 CB HIS 15 1.504 9.101 6.209 1.00 0.00 ATOM 105 CG HIS 15 1.249 7.627 6.166 1.00 0.00 ATOM 106 CD2 HIS 15 1.743 6.466 6.892 1.00 0.00 ATOM 107 ND1 HIS 15 0.361 7.049 5.283 1.00 0.00 ATOM 108 CE1 HIS 15 0.348 5.719 5.482 1.00 0.00 ATOM 109 NE2 HIS 15 1.174 5.363 6.446 1.00 0.00 ATOM 110 O HIS 15 0.887 10.491 9.020 1.00 0.00 ATOM 111 C HIS 15 0.280 9.721 8.281 1.00 0.00 ATOM 112 N ASP 16 -0.436 8.748 8.757 1.00 0.00 ATOM 113 CA ASP 16 -0.548 8.518 10.197 1.00 0.00 ATOM 114 CB ASP 16 -1.847 7.776 10.521 1.00 0.00 ATOM 115 CG ASP 16 -1.862 6.361 9.978 1.00 0.00 ATOM 116 OD1 ASP 16 -0.870 5.964 9.330 1.00 0.00 ATOM 117 OD2 ASP 16 -2.865 5.651 10.198 1.00 0.00 ATOM 118 O ASP 16 0.442 7.531 12.115 1.00 0.00 ATOM 119 C ASP 16 0.563 7.754 10.908 1.00 0.00 ATOM 120 N ARG 17 1.614 7.490 10.206 1.00 0.00 ATOM 121 CA ARG 17 2.792 6.780 10.775 1.00 0.00 ATOM 122 CB ARG 17 2.566 5.274 10.686 1.00 0.00 ATOM 123 CG ARG 17 1.409 4.857 11.633 1.00 0.00 ATOM 124 CD ARG 17 1.407 3.402 11.956 1.00 0.00 ATOM 125 NE ARG 17 0.498 3.114 13.063 1.00 0.00 ATOM 126 CZ ARG 17 -0.830 3.274 13.030 1.00 0.00 ATOM 127 NH1 ARG 17 -1.448 3.724 11.931 1.00 0.00 ATOM 128 NH2 ARG 17 -1.554 2.987 14.105 1.00 0.00 ATOM 129 O ARG 17 4.035 7.686 8.946 1.00 0.00 ATOM 130 C ARG 17 4.037 7.345 10.129 1.00 0.00 ATOM 131 N PRO 18 5.191 7.290 10.968 1.00 0.00 ATOM 132 CA PRO 18 6.487 7.637 10.402 1.00 0.00 ATOM 133 CB PRO 18 7.020 8.724 11.337 1.00 0.00 ATOM 134 CG PRO 18 6.556 8.309 12.694 1.00 0.00 ATOM 135 CD PRO 18 5.188 7.718 12.503 1.00 0.00 ATOM 136 O PRO 18 8.506 6.530 9.786 1.00 0.00 ATOM 137 C PRO 18 7.420 6.442 10.355 1.00 0.00 ATOM 138 N TRP 19 6.992 5.327 10.939 1.00 0.00 ATOM 139 CA TRP 19 7.834 4.148 11.010 1.00 0.00 ATOM 140 CB TRP 19 8.899 4.364 12.125 1.00 0.00 ATOM 141 CG TRP 19 9.932 3.280 12.312 1.00 0.00 ATOM 142 CD1 TRP 19 11.219 3.278 11.841 1.00 0.00 ATOM 143 CD2 TRP 19 9.798 2.102 13.101 1.00 0.00 ATOM 144 CE2 TRP 19 11.011 1.386 13.015 1.00 0.00 ATOM 145 CE3 TRP 19 8.765 1.539 13.830 1.00 0.00 ATOM 146 NE1 TRP 19 11.869 2.143 12.272 1.00 0.00 ATOM 147 CZ2 TRP 19 11.215 0.171 13.674 1.00 0.00 ATOM 148 CZ3 TRP 19 8.963 0.321 14.474 1.00 0.00 ATOM 149 CH2 TRP 19 10.189 -0.347 14.401 1.00 0.00 ATOM 150 O TRP 19 6.160 2.732 11.963 1.00 0.00 ATOM 151 C TRP 19 6.990 2.873 11.073 1.00 0.00 ATOM 152 N TRP 20 7.340 1.864 10.298 1.00 0.00 ATOM 153 CA TRP 20 6.755 0.553 10.408 1.00 0.00 ATOM 154 CB TRP 20 6.016 0.173 9.122 1.00 0.00 ATOM 155 CG TRP 20 4.807 1.017 8.856 1.00 0.00 ATOM 156 CD1 TRP 20 4.302 2.001 9.656 1.00 0.00 ATOM 157 CD2 TRP 20 3.948 0.947 7.711 1.00 0.00 ATOM 158 CE2 TRP 20 2.944 1.920 7.884 1.00 0.00 ATOM 159 CE3 TRP 20 3.930 0.159 6.556 1.00 0.00 ATOM 160 NE1 TRP 20 3.181 2.551 9.080 1.00 0.00 ATOM 161 CZ2 TRP 20 1.933 2.126 6.946 1.00 0.00 ATOM 162 CZ3 TRP 20 2.926 0.365 5.631 1.00 0.00 ATOM 163 CH2 TRP 20 1.942 1.339 5.826 1.00 0.00 ATOM 164 O TRP 20 8.820 -0.531 10.053 1.00 0.00 ATOM 165 C TRP 20 7.792 -0.485 10.686 1.00 0.00 ATOM 166 N GLY 21 7.508 -1.286 11.714 1.00 0.00 ATOM 167 CA GLY 21 8.363 -2.425 11.946 1.00 0.00 ATOM 168 O GLY 21 6.527 -3.954 11.880 1.00 0.00 ATOM 169 C GLY 21 7.686 -3.717 11.535 1.00 0.00 ATOM 170 N LEU 22 8.379 -4.513 10.731 1.00 0.00 ATOM 171 CA LEU 22 7.848 -5.798 10.294 1.00 0.00 ATOM 172 CB LEU 22 8.206 -6.033 8.831 1.00 0.00 ATOM 173 CG LEU 22 7.829 -7.382 8.213 1.00 0.00 ATOM 174 CD1 LEU 22 6.331 -7.587 8.312 1.00 0.00 ATOM 175 CD2 LEU 22 8.284 -7.426 6.763 1.00 0.00 ATOM 176 O LEU 22 9.780 -7.033 11.001 1.00 0.00 ATOM 177 C LEU 22 8.561 -6.883 11.089 1.00 0.00 ATOM 178 N PRO 23 7.801 -7.586 11.921 1.00 0.00 ATOM 179 CA PRO 23 8.340 -8.660 12.753 1.00 0.00 ATOM 180 CB PRO 23 7.177 -9.028 13.677 1.00 0.00 ATOM 181 CG PRO 23 6.276 -7.838 13.636 1.00 0.00 ATOM 182 CD PRO 23 6.383 -7.283 12.244 1.00 0.00 ATOM 183 O PRO 23 8.129 -10.223 10.949 1.00 0.00 ATOM 184 C PRO 23 8.825 -9.810 11.880 1.00 0.00 ATOM 185 N CYS 24 10.019 -10.382 12.208 1.00 0.00 ATOM 186 CA CYS 24 10.563 -11.465 11.399 1.00 0.00 ATOM 187 CB CYS 24 12.155 -11.437 11.700 1.00 0.00 ATOM 188 SG CYS 24 13.087 -12.688 10.790 1.00 0.00 ATOM 189 O CYS 24 9.732 -13.525 10.503 1.00 0.00 ATOM 190 C CYS 24 9.668 -12.693 11.412 1.00 0.00 ATOM 191 N THR 25 8.925 -12.869 12.499 1.00 0.00 ATOM 192 CA THR 25 8.022 -14.007 12.627 1.00 0.00 ATOM 193 CB THR 25 7.317 -14.008 13.997 1.00 0.00 ATOM 194 CG2 THR 25 6.413 -15.225 14.128 1.00 0.00 ATOM 195 OG1 THR 25 8.297 -14.042 15.042 1.00 0.00 ATOM 196 O THR 25 6.314 -14.985 11.279 1.00 0.00 ATOM 197 C THR 25 6.927 -13.959 11.574 1.00 0.00 ATOM 198 N VAL 26 6.677 -12.779 11.006 1.00 0.00 ATOM 199 CA VAL 26 5.617 -12.623 10.009 1.00 0.00 ATOM 200 CB VAL 26 4.487 -11.707 10.514 1.00 0.00 ATOM 201 CG1 VAL 26 3.699 -12.391 11.621 1.00 0.00 ATOM 202 CG2 VAL 26 5.057 -10.407 11.063 1.00 0.00 ATOM 203 O VAL 26 5.379 -11.607 7.855 1.00 0.00 ATOM 204 C VAL 26 6.143 -12.027 8.706 1.00 0.00 ATOM 205 N THR 27 7.471 -12.017 8.541 1.00 0.00 ATOM 206 CA THR 27 8.041 -11.437 7.326 1.00 0.00 ATOM 207 CB THR 27 9.577 -11.528 7.265 1.00 0.00 ATOM 208 CG2 THR 27 10.203 -10.729 8.399 1.00 0.00 ATOM 209 OG1 THR 27 9.983 -12.896 7.382 1.00 0.00 ATOM 210 O THR 27 7.223 -11.356 5.120 1.00 0.00 ATOM 211 C THR 27 7.590 -12.090 6.043 1.00 0.00 ATOM 212 N PRO 28 7.510 -13.413 5.936 1.00 0.00 ATOM 213 CA PRO 28 6.990 -14.053 4.740 1.00 0.00 ATOM 214 CB PRO 28 6.846 -15.522 5.142 1.00 0.00 ATOM 215 CG PRO 28 6.595 -15.483 6.612 1.00 0.00 ATOM 216 CD PRO 28 7.439 -14.362 7.150 1.00 0.00 ATOM 217 O PRO 28 5.246 -13.671 3.225 1.00 0.00 ATOM 218 C PRO 28 5.718 -13.384 4.300 1.00 0.00 ATOM 219 N CYS 29 4.954 -12.355 4.984 1.00 0.00 ATOM 220 CA CYS 29 3.664 -11.815 4.597 1.00 0.00 ATOM 221 CB CYS 29 2.596 -12.882 4.845 1.00 0.00 ATOM 222 SG CYS 29 0.913 -12.360 4.444 1.00 0.00 ATOM 223 O CYS 29 3.012 -10.743 6.637 1.00 0.00 ATOM 224 C CYS 29 3.316 -10.608 5.451 1.00 0.00 ATOM 225 N PHE 30 3.362 -9.433 4.836 1.00 0.00 ATOM 226 CA PHE 30 3.040 -8.186 5.519 1.00 0.00 ATOM 227 CB PHE 30 4.320 -7.380 5.746 1.00 0.00 ATOM 228 CG PHE 30 4.093 -6.064 6.436 1.00 0.00 ATOM 229 CD1 PHE 30 3.963 -6.002 7.812 1.00 0.00 ATOM 230 CD2 PHE 30 4.011 -4.891 5.708 1.00 0.00 ATOM 231 CE1 PHE 30 3.755 -4.792 8.447 1.00 0.00 ATOM 232 CE2 PHE 30 3.803 -3.680 6.343 1.00 0.00 ATOM 233 CZ PHE 30 3.675 -3.628 7.706 1.00 0.00 ATOM 234 O PHE 30 2.281 -7.257 3.444 1.00 0.00 ATOM 235 C PHE 30 2.071 -7.384 4.646 1.00 0.00 ATOM 236 N GLY 31 1.037 -6.854 5.271 1.00 0.00 ATOM 237 CA GLY 31 0.059 -6.076 4.524 1.00 0.00 ATOM 238 O GLY 31 0.024 -4.317 6.111 1.00 0.00 ATOM 239 C GLY 31 -0.069 -4.622 4.930 1.00 0.00 ATOM 240 N ALA 32 -0.267 -3.753 3.944 1.00 0.00 ATOM 241 CA ALA 32 -0.446 -2.344 4.212 1.00 0.00 ATOM 242 CB ALA 32 0.615 -1.509 3.512 1.00 0.00 ATOM 243 O ALA 32 -2.179 -2.320 2.567 1.00 0.00 ATOM 244 C ALA 32 -1.833 -1.980 3.694 1.00 0.00 ATOM 245 N ARG 33 -2.658 -1.423 4.574 1.00 0.00 ATOM 246 CA ARG 33 -4.009 -1.013 4.200 1.00 0.00 ATOM 247 CB ARG 33 -5.008 -2.092 4.809 1.00 0.00 ATOM 248 CG ARG 33 -5.178 -1.904 6.311 1.00 0.00 ATOM 249 CD ARG 33 -6.126 -2.961 6.880 1.00 0.00 ATOM 250 NE ARG 33 -6.278 -2.875 8.336 1.00 0.00 ATOM 251 CZ ARG 33 -7.091 -2.034 8.972 1.00 0.00 ATOM 252 NH1 ARG 33 -7.855 -1.174 8.296 1.00 0.00 ATOM 253 NH2 ARG 33 -7.159 -2.049 10.296 1.00 0.00 ATOM 254 O ARG 33 -3.969 1.103 5.252 1.00 0.00 ATOM 255 C ARG 33 -3.982 0.489 4.183 1.00 0.00 ATOM 256 N LEU 34 -4.120 1.086 3.010 1.00 0.00 ATOM 257 CA LEU 34 -4.065 2.529 2.852 1.00 0.00 ATOM 258 CB LEU 34 -3.209 2.938 1.651 1.00 0.00 ATOM 259 CG LEU 34 -3.110 4.437 1.369 1.00 0.00 ATOM 260 CD1 LEU 34 -2.345 5.145 2.477 1.00 0.00 ATOM 261 CD2 LEU 34 -2.384 4.691 0.057 1.00 0.00 ATOM 262 O LEU 34 -6.078 2.766 1.563 1.00 0.00 ATOM 263 C LEU 34 -5.425 3.141 2.539 1.00 0.00 ATOM 264 N VAL 35 -5.839 4.077 3.383 1.00 0.00 ATOM 265 CA VAL 35 -7.103 4.790 3.224 1.00 0.00 ATOM 266 CB VAL 35 -7.865 4.861 4.543 1.00 0.00 ATOM 267 CG1 VAL 35 -9.013 5.864 4.415 1.00 0.00 ATOM 268 CG2 VAL 35 -8.411 3.446 4.863 1.00 0.00 ATOM 269 O VAL 35 -5.716 6.722 3.562 1.00 0.00 ATOM 270 C VAL 35 -6.713 6.250 3.013 1.00 0.00 ATOM 271 N GLN 36 -7.544 6.982 2.281 1.00 0.00 ATOM 272 CA GLN 36 -7.268 8.383 1.965 1.00 0.00 ATOM 273 CB GLN 36 -7.056 8.554 0.460 1.00 0.00 ATOM 274 CG GLN 36 -5.874 7.777 -0.095 1.00 0.00 ATOM 275 CD GLN 36 -4.553 8.231 0.493 1.00 0.00 ATOM 276 OE1 GLN 36 -4.308 9.427 0.643 1.00 0.00 ATOM 277 NE2 GLN 36 -3.694 7.274 0.827 1.00 0.00 ATOM 278 O GLN 36 -9.449 9.349 1.700 1.00 0.00 ATOM 279 C GLN 36 -8.449 9.236 2.412 1.00 0.00 ATOM 280 N GLU 37 -8.336 9.881 3.588 1.00 0.00 ATOM 281 CA GLU 37 -9.411 10.709 4.070 1.00 0.00 ATOM 282 CB GLU 37 -9.320 10.629 5.676 1.00 0.00 ATOM 283 CG GLU 37 -9.759 9.381 6.417 1.00 0.00 ATOM 284 CD GLU 37 -11.203 9.114 6.631 1.00 0.00 ATOM 285 OE1 GLU 37 -12.032 9.994 6.389 1.00 0.00 ATOM 286 OE2 GLU 37 -11.550 7.949 6.984 1.00 0.00 ATOM 287 O GLU 37 -10.594 12.592 3.196 1.00 0.00 ATOM 288 C GLU 37 -9.519 11.979 3.254 1.00 0.00 ATOM 289 N GLY 38 -8.404 12.365 2.629 1.00 0.00 ATOM 290 CA GLY 38 -8.384 13.557 1.796 1.00 0.00 ATOM 291 O GLY 38 -6.792 13.439 0.026 1.00 0.00 ATOM 292 C GLY 38 -6.995 13.680 1.211 1.00 0.00 ATOM 293 N ASN 39 -5.446 11.239 -2.409 1.00 0.00 ATOM 294 CA ASN 39 -4.665 11.470 -3.601 1.00 0.00 ATOM 295 CB ASN 39 -5.682 11.934 -4.775 1.00 0.00 ATOM 296 CG ASN 39 -5.418 13.337 -5.170 1.00 0.00 ATOM 297 ND2 ASN 39 -6.372 14.037 -5.752 1.00 0.00 ATOM 298 OD1 ASN 39 -4.297 13.839 -4.978 1.00 0.00 ATOM 299 O ASN 39 -2.291 11.715 -3.598 1.00 0.00 ATOM 300 C ASN 39 -3.243 10.976 -3.378 1.00 0.00 ATOM 301 N ARG 40 -3.111 9.719 -2.966 1.00 0.00 ATOM 302 CA ARG 40 -1.798 9.135 -2.690 1.00 0.00 ATOM 303 CB ARG 40 -2.108 9.365 -1.192 1.00 0.00 ATOM 304 CG ARG 40 -2.117 10.770 -0.728 1.00 0.00 ATOM 305 CD ARG 40 -0.742 11.417 -0.696 1.00 0.00 ATOM 306 NE ARG 40 -0.981 12.827 -0.581 1.00 0.00 ATOM 307 CZ ARG 40 -0.380 13.779 -1.265 1.00 0.00 ATOM 308 NH1 ARG 40 0.620 13.533 -2.110 1.00 0.00 ATOM 309 NH2 ARG 40 -0.777 15.005 -1.045 1.00 0.00 ATOM 310 O ARG 40 -2.564 6.949 -3.302 1.00 0.00 ATOM 311 C ARG 40 -1.605 7.666 -3.011 1.00 0.00 ATOM 312 N LEU 41 -0.354 7.237 -2.975 1.00 0.00 ATOM 313 CA LEU 41 -0.020 5.833 -3.127 1.00 0.00 ATOM 314 CB LEU 41 0.719 5.564 -4.432 1.00 0.00 ATOM 315 CG LEU 41 1.231 4.122 -4.552 1.00 0.00 ATOM 316 CD1 LEU 41 0.047 3.165 -4.542 1.00 0.00 ATOM 317 CD2 LEU 41 2.056 3.957 -5.820 1.00 0.00 ATOM 318 O LEU 41 2.218 6.072 -2.186 1.00 0.00 ATOM 319 C LEU 41 1.179 5.408 -2.232 1.00 0.00 ATOM 320 N HIS 42 1.014 4.272 -1.553 1.00 0.00 ATOM 321 CA HIS 42 2.124 3.781 -0.749 1.00 0.00 ATOM 322 CB HIS 42 2.000 3.487 0.555 1.00 0.00 ATOM 323 CG HIS 42 2.981 2.473 1.059 1.00 0.00 ATOM 324 CD2 HIS 42 4.327 2.525 1.199 1.00 0.00 ATOM 325 ND1 HIS 42 2.598 1.218 1.488 1.00 0.00 ATOM 326 CE1 HIS 42 3.667 0.543 1.870 1.00 0.00 ATOM 327 NE2 HIS 42 4.728 1.312 1.704 1.00 0.00 ATOM 328 O HIS 42 2.786 1.934 -2.122 1.00 0.00 ATOM 329 C HIS 42 3.126 2.971 -1.550 1.00 0.00 ATOM 330 N TYR 43 4.335 3.509 -1.674 1.00 0.00 ATOM 331 CA TYR 43 5.405 2.891 -2.452 1.00 0.00 ATOM 332 CB TYR 43 5.423 3.580 -3.857 1.00 0.00 ATOM 333 CG TYR 43 5.969 2.719 -4.972 1.00 0.00 ATOM 334 CD1 TYR 43 5.313 1.557 -5.310 1.00 0.00 ATOM 335 CD2 TYR 43 7.110 3.029 -5.706 1.00 0.00 ATOM 336 CE1 TYR 43 5.742 0.712 -6.328 1.00 0.00 ATOM 337 CE2 TYR 43 7.570 2.204 -6.740 1.00 0.00 ATOM 338 CZ TYR 43 6.886 1.043 -7.056 1.00 0.00 ATOM 339 OH TYR 43 7.352 0.239 -8.048 1.00 0.00 ATOM 340 O TYR 43 7.023 3.423 -0.774 1.00 0.00 ATOM 341 C TYR 43 6.576 2.567 -1.542 1.00 0.00 ATOM 342 N LEU 44 7.144 1.379 -1.711 1.00 0.00 ATOM 343 CA LEU 44 8.257 0.923 -0.898 1.00 0.00 ATOM 344 CB LEU 44 7.909 -0.395 -0.205 1.00 0.00 ATOM 345 CG LEU 44 9.016 -1.029 0.640 1.00 0.00 ATOM 346 CD1 LEU 44 9.335 -0.162 1.848 1.00 0.00 ATOM 347 CD2 LEU 44 8.591 -2.401 1.140 1.00 0.00 ATOM 348 O LEU 44 9.538 0.078 -2.749 1.00 0.00 ATOM 349 C LEU 44 9.554 0.700 -1.684 1.00 0.00 ATOM 350 N ALA 45 10.621 1.184 -1.169 1.00 0.00 ATOM 351 CA ALA 45 11.930 1.021 -1.813 1.00 0.00 ATOM 352 CB ALA 45 12.166 2.112 -2.846 1.00 0.00 ATOM 353 O ALA 45 12.630 1.334 0.453 1.00 0.00 ATOM 354 C ALA 45 12.967 1.119 -0.709 1.00 0.00 ATOM 355 N ASP 46 14.216 0.826 -1.035 1.00 0.00 ATOM 356 CA ASP 46 15.260 0.985 -0.033 1.00 0.00 ATOM 357 CB ASP 46 16.569 0.362 -0.524 1.00 0.00 ATOM 358 CG ASP 46 16.525 -1.153 -0.534 1.00 0.00 ATOM 359 OD1 ASP 46 15.569 -1.724 0.032 1.00 0.00 ATOM 360 OD2 ASP 46 17.446 -1.770 -1.109 1.00 0.00 ATOM 361 O ASP 46 15.057 3.265 -0.765 1.00 0.00 ATOM 362 C ASP 46 15.398 2.500 0.141 1.00 0.00 ATOM 363 N ARG 47 15.904 2.939 1.289 1.00 0.00 ATOM 364 CA ARG 47 16.096 4.372 1.532 1.00 0.00 ATOM 365 CB ARG 47 16.730 4.604 2.903 1.00 0.00 ATOM 366 CG ARG 47 16.969 6.066 3.239 1.00 0.00 ATOM 367 CD ARG 47 15.660 6.834 3.317 1.00 0.00 ATOM 368 NE ARG 47 15.868 8.233 3.693 1.00 0.00 ATOM 369 CZ ARG 47 14.925 9.166 3.645 1.00 0.00 ATOM 370 NH1 ARG 47 15.204 10.410 4.007 1.00 0.00 ATOM 371 NH2 ARG 47 13.703 8.854 3.235 1.00 0.00 ATOM 372 O ARG 47 16.806 6.068 -0.033 1.00 0.00 ATOM 373 C ARG 47 17.009 4.955 0.459 1.00 0.00 ATOM 374 N ALA 48 18.018 4.148 0.069 1.00 0.00 ATOM 375 CA ALA 48 18.977 4.564 -0.945 1.00 0.00 ATOM 376 CB ALA 48 20.008 3.466 -1.148 1.00 0.00 ATOM 377 O ALA 48 18.765 5.775 -3.001 1.00 0.00 ATOM 378 C ALA 48 18.354 4.846 -2.314 1.00 0.00 ATOM 379 N GLY 49 17.340 3.953 -2.685 1.00 0.00 ATOM 380 CA GLY 49 16.668 4.142 -3.973 1.00 0.00 ATOM 381 O GLY 49 14.633 4.949 -4.914 1.00 0.00 ATOM 382 C GLY 49 15.358 4.906 -3.915 1.00 0.00 ATOM 383 N ILE 50 15.058 5.534 -2.778 1.00 0.00 ATOM 384 CA ILE 50 13.788 6.246 -2.642 1.00 0.00 ATOM 385 CB ILE 50 13.575 6.760 -1.206 1.00 0.00 ATOM 386 CG1 ILE 50 13.330 5.590 -0.251 1.00 0.00 ATOM 387 CG2 ILE 50 12.372 7.691 -1.146 1.00 0.00 ATOM 388 CD1 ILE 50 12.065 4.813 -0.549 1.00 0.00 ATOM 389 O ILE 50 12.793 7.653 -4.292 1.00 0.00 ATOM 390 C ILE 50 13.742 7.485 -3.523 1.00 0.00 ATOM 391 N ARG 51 14.740 8.351 -3.417 1.00 0.00 ATOM 392 CA ARG 51 14.762 9.573 -4.210 1.00 0.00 ATOM 393 CB ARG 51 16.394 10.113 -4.025 1.00 0.00 ATOM 394 CG ARG 51 17.180 9.782 -2.765 1.00 0.00 ATOM 395 CD ARG 51 16.662 10.505 -1.532 1.00 0.00 ATOM 396 NE ARG 51 16.556 11.961 -1.679 1.00 0.00 ATOM 397 CZ ARG 51 17.582 12.807 -1.659 1.00 0.00 ATOM 398 NH1 ARG 51 18.817 12.355 -1.503 1.00 0.00 ATOM 399 NH2 ARG 51 17.378 14.115 -1.754 1.00 0.00 ATOM 400 O ARG 51 14.117 9.878 -6.502 1.00 0.00 ATOM 401 C ARG 51 14.811 9.248 -5.700 1.00 0.00 ATOM 402 N GLY 52 15.636 8.259 -6.061 1.00 0.00 ATOM 403 CA GLY 52 15.748 7.858 -7.452 1.00 0.00 ATOM 404 O GLY 52 13.988 7.549 -9.028 1.00 0.00 ATOM 405 C GLY 52 14.440 7.278 -7.903 1.00 0.00 ATOM 406 N LEU 53 13.806 6.472 -7.042 1.00 0.00 ATOM 407 CA LEU 53 12.469 5.905 -7.368 1.00 0.00 ATOM 408 CB LEU 53 11.978 5.025 -6.218 1.00 0.00 ATOM 409 CG LEU 53 10.609 4.367 -6.404 1.00 0.00 ATOM 410 CD1 LEU 53 10.618 3.438 -7.608 1.00 0.00 ATOM 411 CD2 LEU 53 10.234 3.551 -5.177 1.00 0.00 ATOM 412 O LEU 53 10.669 6.966 -8.546 1.00 0.00 ATOM 413 C LEU 53 11.434 7.011 -7.585 1.00 0.00 ATOM 414 N PHE 54 11.469 8.034 -6.737 1.00 0.00 ATOM 415 CA PHE 54 10.528 9.152 -6.836 1.00 0.00 ATOM 416 CB PHE 54 10.621 10.089 -5.701 1.00 0.00 ATOM 417 CG PHE 54 9.599 11.168 -5.695 1.00 0.00 ATOM 418 CD1 PHE 54 8.234 10.867 -5.683 1.00 0.00 ATOM 419 CD2 PHE 54 10.010 12.510 -5.663 1.00 0.00 ATOM 420 CE1 PHE 54 7.278 11.909 -5.635 1.00 0.00 ATOM 421 CE2 PHE 54 9.068 13.564 -5.612 1.00 0.00 ATOM 422 CZ PHE 54 7.698 13.258 -5.600 1.00 0.00 ATOM 423 O PHE 54 9.838 10.263 -8.886 1.00 0.00 ATOM 424 C PHE 54 10.789 9.876 -8.133 1.00 0.00 ATOM 425 N SER 55 12.063 10.185 -8.403 1.00 0.00 ATOM 426 CA SER 55 12.450 11.004 -9.561 1.00 0.00 ATOM 427 CB SER 55 13.971 11.154 -9.612 1.00 0.00 ATOM 428 OG SER 55 14.441 11.958 -8.544 1.00 0.00 ATOM 429 O SER 55 11.368 10.973 -11.695 1.00 0.00 ATOM 430 C SER 55 12.008 10.330 -10.861 1.00 0.00 ATOM 431 N ASP 56 12.360 9.091 -11.031 1.00 0.00 ATOM 432 CA ASP 56 11.983 8.348 -12.227 1.00 0.00 ATOM 433 CB ASP 56 12.694 6.995 -12.299 1.00 0.00 ATOM 434 CG ASP 56 14.167 7.127 -12.630 1.00 0.00 ATOM 435 OD1 ASP 56 14.588 8.229 -13.041 1.00 0.00 ATOM 436 OD2 ASP 56 14.902 6.128 -12.478 1.00 0.00 ATOM 437 O ASP 56 9.858 8.258 -13.356 1.00 0.00 ATOM 438 C ASP 56 10.472 8.145 -12.287 1.00 0.00 ATOM 439 N ALA 57 9.854 7.879 -11.158 1.00 0.00 ATOM 440 CA ALA 57 8.420 7.693 -11.081 1.00 0.00 ATOM 441 CB ALA 57 7.978 7.391 -9.633 1.00 0.00 ATOM 442 O ALA 57 6.636 8.764 -12.272 1.00 0.00 ATOM 443 C ALA 57 7.652 8.910 -11.573 1.00 0.00 ATOM 444 N ASP 58 8.106 10.096 -11.218 1.00 0.00 ATOM 445 CA ASP 58 7.460 11.328 -11.640 1.00 0.00 ATOM 446 CB ASP 58 8.206 12.541 -11.079 1.00 0.00 ATOM 447 CG ASP 58 7.994 12.716 -9.588 1.00 0.00 ATOM 448 OD1 ASP 58 7.093 12.053 -9.034 1.00 0.00 ATOM 449 OD2 ASP 58 8.730 13.517 -8.974 1.00 0.00 ATOM 450 O ASP 58 6.410 11.812 -13.739 1.00 0.00 ATOM 451 C ASP 58 7.431 11.438 -13.163 1.00 0.00 ATOM 452 N ALA 59 8.539 11.128 -13.813 1.00 0.00 ATOM 453 CA ALA 59 8.650 11.213 -15.268 1.00 0.00 ATOM 454 CB ALA 59 10.102 11.055 -15.694 1.00 0.00 ATOM 455 O ALA 59 7.417 10.409 -17.161 1.00 0.00 ATOM 456 C ALA 59 7.755 10.206 -15.997 1.00 0.00 ATOM 457 N TYR 60 7.401 9.147 -15.254 1.00 0.00 ATOM 458 CA TYR 60 6.574 8.080 -15.841 1.00 0.00 ATOM 459 CB TYR 60 6.512 6.908 -14.862 1.00 0.00 ATOM 460 CG TYR 60 7.850 6.248 -14.609 1.00 0.00 ATOM 461 CD1 TYR 60 8.927 6.481 -15.456 1.00 0.00 ATOM 462 CD2 TYR 60 8.032 5.396 -13.529 1.00 0.00 ATOM 463 CE1 TYR 60 10.153 5.882 -15.234 1.00 0.00 ATOM 464 CE2 TYR 60 9.250 4.790 -13.291 1.00 0.00 ATOM 465 CZ TYR 60 10.314 5.039 -14.158 1.00 0.00 ATOM 466 OH TYR 60 11.534 4.444 -13.934 1.00 0.00 ATOM 467 O TYR 60 4.546 7.770 -17.083 1.00 0.00 ATOM 468 C TYR 60 5.121 8.401 -16.194 1.00 0.00 ATOM 469 N HIS 61 4.675 9.537 -15.494 1.00 0.00 ATOM 470 CA HIS 61 3.296 9.970 -15.629 1.00 0.00 ATOM 471 CB HIS 61 2.820 9.764 -17.088 1.00 0.00 ATOM 472 CG HIS 61 3.567 10.576 -18.101 1.00 0.00 ATOM 473 CD2 HIS 61 3.644 11.915 -18.284 1.00 0.00 ATOM 474 ND1 HIS 61 4.367 10.009 -19.070 1.00 0.00 ATOM 475 CE1 HIS 61 4.906 10.965 -19.805 1.00 0.00 ATOM 476 NE2 HIS 61 4.484 12.130 -19.349 1.00 0.00 ATOM 477 O HIS 61 2.547 8.174 -14.224 1.00 0.00 ATOM 478 C HIS 61 2.289 9.260 -14.743 1.00 0.00 ATOM 479 N LEU 62 1.123 9.918 -14.601 1.00 0.00 ATOM 480 CA LEU 62 0.050 9.378 -13.771 1.00 0.00 ATOM 481 CB LEU 62 -1.131 10.351 -13.729 1.00 0.00 ATOM 482 CG LEU 62 -0.904 11.661 -12.971 1.00 0.00 ATOM 483 CD1 LEU 62 -2.083 12.603 -13.159 1.00 0.00 ATOM 484 CD2 LEU 62 -0.738 11.398 -11.480 1.00 0.00 ATOM 485 O LEU 62 -0.660 7.091 -13.487 1.00 0.00 ATOM 486 C LEU 62 -0.445 8.029 -14.281 1.00 0.00 ATOM 487 N ASP 63 -0.655 7.927 -15.607 1.00 0.00 ATOM 488 CA ASP 63 -1.122 6.691 -16.213 1.00 0.00 ATOM 489 CB ASP 63 -1.298 6.855 -17.724 1.00 0.00 ATOM 490 CG ASP 63 -2.510 7.694 -18.081 1.00 0.00 ATOM 491 OD1 ASP 63 -3.343 7.947 -17.185 1.00 0.00 ATOM 492 OD2 ASP 63 -2.629 8.097 -19.257 1.00 0.00 ATOM 493 O ASP 63 -0.458 4.439 -15.619 1.00 0.00 ATOM 494 C ASP 63 -0.103 5.573 -15.959 1.00 0.00 ATOM 495 N GLN 64 1.175 5.894 -16.109 1.00 0.00 ATOM 496 CA GLN 64 2.227 4.920 -15.881 1.00 0.00 ATOM 497 CB GLN 64 3.583 5.457 -16.309 1.00 0.00 ATOM 498 CG GLN 64 4.703 4.437 -16.216 1.00 0.00 ATOM 499 CD GLN 64 4.447 3.214 -17.079 1.00 0.00 ATOM 500 OE1 GLN 64 4.247 3.324 -18.289 1.00 0.00 ATOM 501 NE2 GLN 64 4.454 2.039 -16.458 1.00 0.00 ATOM 502 O GLN 64 2.508 3.377 -14.053 1.00 0.00 ATOM 503 C GLN 64 2.288 4.540 -14.404 1.00 0.00 ATOM 504 N ALA 65 2.036 5.517 -13.565 1.00 0.00 ATOM 505 CA ALA 65 2.019 5.296 -12.120 1.00 0.00 ATOM 506 CB ALA 65 1.852 6.638 -11.414 1.00 0.00 ATOM 507 O ALA 65 1.056 3.438 -10.921 1.00 0.00 ATOM 508 C ALA 65 0.875 4.344 -11.736 1.00 0.00 ATOM 509 N PHE 66 -0.308 4.549 -12.312 1.00 0.00 ATOM 510 CA PHE 66 -1.456 3.709 -11.973 1.00 0.00 ATOM 511 CB PHE 66 -2.740 4.241 -12.644 1.00 0.00 ATOM 512 CG PHE 66 -4.006 3.830 -11.944 1.00 0.00 ATOM 513 CD1 PHE 66 -4.483 4.547 -10.854 1.00 0.00 ATOM 514 CD2 PHE 66 -4.719 2.713 -12.371 1.00 0.00 ATOM 515 CE1 PHE 66 -5.647 4.160 -10.197 1.00 0.00 ATOM 516 CE2 PHE 66 -5.889 2.329 -11.705 1.00 0.00 ATOM 517 CZ PHE 66 -6.348 3.056 -10.619 1.00 0.00 ATOM 518 O PHE 66 -1.444 1.320 -11.645 1.00 0.00 ATOM 519 C PHE 66 -1.172 2.267 -12.390 1.00 0.00 ATOM 520 N PRO 67 -0.562 2.103 -13.561 1.00 0.00 ATOM 521 CA PRO 67 -0.195 0.767 -14.023 1.00 0.00 ATOM 522 CB PRO 67 0.253 1.033 -15.507 1.00 0.00 ATOM 523 CG PRO 67 -0.442 2.302 -15.875 1.00 0.00 ATOM 524 CD PRO 67 -0.483 3.141 -14.588 1.00 0.00 ATOM 525 O PRO 67 0.653 -1.071 -12.741 1.00 0.00 ATOM 526 C PRO 67 0.791 0.110 -13.071 1.00 0.00 ATOM 527 N LEU 68 1.900 0.794 -12.708 1.00 0.00 ATOM 528 CA LEU 68 2.849 0.229 -11.767 1.00 0.00 ATOM 529 CB LEU 68 4.012 1.262 -11.592 1.00 0.00 ATOM 530 CG LEU 68 5.208 0.786 -10.769 1.00 0.00 ATOM 531 CD1 LEU 68 5.871 -0.390 -11.470 1.00 0.00 ATOM 532 CD2 LEU 68 6.206 1.913 -10.559 1.00 0.00 ATOM 533 O LEU 68 2.480 -1.081 -9.791 1.00 0.00 ATOM 534 C LEU 68 2.188 -0.064 -10.423 1.00 0.00 ATOM 535 N LEU 69 1.285 0.823 -9.963 1.00 0.00 ATOM 536 CA LEU 69 0.598 0.608 -8.692 1.00 0.00 ATOM 537 CB LEU 69 -0.305 1.789 -8.411 1.00 0.00 ATOM 538 CG LEU 69 0.482 3.078 -8.314 1.00 0.00 ATOM 539 CD1 LEU 69 -0.582 4.258 -8.143 1.00 0.00 ATOM 540 CD2 LEU 69 1.497 3.107 -7.293 1.00 0.00 ATOM 541 O LEU 69 -0.159 -1.497 -7.810 1.00 0.00 ATOM 542 C LEU 69 -0.187 -0.701 -8.751 1.00 0.00 ATOM 543 N MET 70 -0.858 -0.949 -9.876 1.00 0.00 ATOM 544 CA MET 70 -1.629 -2.172 -10.052 1.00 0.00 ATOM 545 CB MET 70 -2.432 -2.160 -11.354 1.00 0.00 ATOM 546 CG MET 70 -3.672 -1.270 -11.318 1.00 0.00 ATOM 547 SD MET 70 -4.646 -1.366 -12.841 1.00 0.00 ATOM 548 CE MET 70 -3.835 -0.074 -13.810 1.00 0.00 ATOM 549 O MET 70 -0.977 -4.391 -9.395 1.00 0.00 ATOM 550 C MET 70 -0.686 -3.377 -10.035 1.00 0.00 ATOM 551 N LYS 71 0.422 -3.266 -10.754 1.00 0.00 ATOM 552 CA LYS 71 1.396 -4.357 -10.823 1.00 0.00 ATOM 553 CB LYS 71 2.528 -4.066 -11.801 1.00 0.00 ATOM 554 CG LYS 71 2.106 -3.991 -13.259 1.00 0.00 ATOM 555 CD LYS 71 3.350 -3.889 -14.167 1.00 0.00 ATOM 556 CE LYS 71 2.983 -4.020 -15.654 1.00 0.00 ATOM 557 NZ LYS 71 4.174 -4.035 -16.569 1.00 0.00 ATOM 558 O LYS 71 2.128 -5.814 -9.055 1.00 0.00 ATOM 559 C LYS 71 2.029 -4.654 -9.463 1.00 0.00 ATOM 560 N GLN 72 2.453 -3.627 -8.767 1.00 0.00 ATOM 561 CA GLN 72 3.117 -3.790 -7.472 1.00 0.00 ATOM 562 CB GLN 72 3.572 -2.419 -6.966 1.00 0.00 ATOM 563 CG GLN 72 4.296 -2.486 -5.633 1.00 0.00 ATOM 564 CD GLN 72 5.681 -3.085 -5.748 1.00 0.00 ATOM 565 OE1 GLN 72 6.202 -3.655 -4.786 1.00 0.00 ATOM 566 NE2 GLN 72 6.292 -2.950 -6.918 1.00 0.00 ATOM 567 O GLN 72 2.504 -5.286 -5.705 1.00 0.00 ATOM 568 C GLN 72 2.166 -4.343 -6.429 1.00 0.00 ATOM 569 N LEU 73 0.907 -3.699 -6.308 1.00 0.00 ATOM 570 CA LEU 73 -0.064 -4.249 -5.370 1.00 0.00 ATOM 571 CB LEU 73 0.441 -4.574 -4.051 1.00 0.00 ATOM 572 CG LEU 73 1.225 -5.893 -4.074 1.00 0.00 ATOM 573 CD1 LEU 73 1.854 -6.172 -2.721 1.00 0.00 ATOM 574 CD2 LEU 73 0.286 -7.014 -4.474 1.00 0.00 ATOM 575 O LEU 73 -2.282 -3.327 -5.568 1.00 0.00 ATOM 576 C LEU 73 -1.134 -3.176 -5.143 1.00 0.00 ATOM 577 N GLU 74 -0.752 -2.091 -4.486 1.00 0.00 ATOM 578 CA GLU 74 -1.725 -1.055 -4.144 1.00 0.00 ATOM 579 CB GLU 74 -1.913 -0.042 -3.027 1.00 0.00 ATOM 580 CG GLU 74 -1.928 -0.728 -1.678 1.00 0.00 ATOM 581 CD GLU 74 -2.135 0.212 -0.501 1.00 0.00 ATOM 582 OE1 GLU 74 -2.316 1.425 -0.708 1.00 0.00 ATOM 583 OE2 GLU 74 -2.093 -0.271 0.645 1.00 0.00 ATOM 584 O GLU 74 -1.004 0.539 -5.779 1.00 0.00 ATOM 585 C GLU 74 -1.956 0.004 -5.213 1.00 0.00 ATOM 586 N LEU 75 -3.189 0.326 -5.473 1.00 0.00 ATOM 587 CA LEU 75 -3.501 1.351 -6.456 1.00 0.00 ATOM 588 CB LEU 75 -4.969 1.249 -6.877 1.00 0.00 ATOM 589 CG LEU 75 -5.433 -0.117 -7.385 1.00 0.00 ATOM 590 CD1 LEU 75 -6.913 -0.087 -7.732 1.00 0.00 ATOM 591 CD2 LEU 75 -4.660 -0.519 -8.633 1.00 0.00 ATOM 592 O LEU 75 -3.046 2.902 -4.671 1.00 0.00 ATOM 593 C LEU 75 -3.165 2.722 -5.896 1.00 0.00 ATOM 594 N MET 76 -3.129 4.112 -6.651 1.00 0.00 ATOM 595 CA MET 76 -3.198 5.444 -6.092 1.00 0.00 ATOM 596 CB MET 76 -2.596 6.493 -7.025 1.00 0.00 ATOM 597 CG MET 76 -2.640 7.881 -6.413 1.00 0.00 ATOM 598 SD MET 76 -1.645 9.083 -7.282 1.00 0.00 ATOM 599 CE MET 76 -0.024 8.687 -6.624 1.00 0.00 ATOM 600 O MET 76 -5.483 5.576 -6.823 1.00 0.00 ATOM 601 C MET 76 -4.680 5.760 -5.900 1.00 0.00 ATOM 602 N LEU 77 -5.017 6.257 -4.700 1.00 0.00 ATOM 603 CA LEU 77 -6.409 6.563 -4.391 1.00 0.00 ATOM 604 CB LEU 77 -6.952 5.632 -3.282 1.00 0.00 ATOM 605 CG LEU 77 -6.853 4.133 -3.574 1.00 0.00 ATOM 606 CD1 LEU 77 -7.258 3.365 -2.310 1.00 0.00 ATOM 607 CD2 LEU 77 -7.722 3.742 -4.799 1.00 0.00 ATOM 608 O LEU 77 -5.699 8.573 -3.272 1.00 0.00 ATOM 609 C LEU 77 -6.605 7.981 -3.862 1.00 0.00 ATOM 610 N THR 78 -7.808 8.502 -4.067 1.00 0.00 ATOM 611 CA THR 78 -8.155 9.825 -3.594 1.00 0.00 ATOM 612 CB THR 78 -9.165 10.497 -4.585 1.00 0.00 ATOM 613 CG2 THR 78 -8.533 10.655 -5.977 1.00 0.00 ATOM 614 OG1 THR 78 -10.264 9.611 -4.755 1.00 0.00 ATOM 615 O THR 78 -8.996 8.835 -1.580 1.00 0.00 ATOM 616 C THR 78 -9.049 9.776 -2.364 1.00 0.00 ATOM 617 N SER 79 -9.923 10.850 -2.143 1.00 0.00 ATOM 618 CA SER 79 -10.780 10.932 -0.964 1.00 0.00 ATOM 619 CB SER 79 -11.257 12.401 -0.811 1.00 0.00 ATOM 620 OG SER 79 -12.308 12.676 -1.735 1.00 0.00 ATOM 621 O SER 79 -12.508 9.559 -1.915 1.00 0.00 ATOM 622 C SER 79 -11.828 9.826 -0.924 1.00 0.00 ATOM 623 N GLY 80 -11.965 9.210 0.246 1.00 0.00 ATOM 624 CA GLY 80 -12.959 8.167 0.424 1.00 0.00 ATOM 625 O GLY 80 -13.441 5.879 -0.000 1.00 0.00 ATOM 626 C GLY 80 -12.629 6.795 -0.123 1.00 0.00 ATOM 627 N GLU 81 -11.471 6.648 -0.748 1.00 0.00 ATOM 628 CA GLU 81 -11.072 5.357 -1.293 1.00 0.00 ATOM 629 CB GLU 81 -10.205 5.565 -2.521 1.00 0.00 ATOM 630 CG GLU 81 -10.941 6.215 -3.685 1.00 0.00 ATOM 631 CD GLU 81 -12.164 5.427 -4.109 1.00 0.00 ATOM 632 OE1 GLU 81 -12.069 4.185 -4.202 1.00 0.00 ATOM 633 OE2 GLU 81 -13.222 6.048 -4.347 1.00 0.00 ATOM 634 O GLU 81 -9.621 5.243 0.613 1.00 0.00 ATOM 635 C GLU 81 -10.105 4.652 -0.354 1.00 0.00 ATOM 636 N LEU 82 -9.875 3.367 -0.615 1.00 0.00 ATOM 637 CA LEU 82 -8.979 2.550 0.194 1.00 0.00 ATOM 638 CB LEU 82 -9.752 1.898 1.342 1.00 0.00 ATOM 639 CG LEU 82 -10.921 0.991 0.944 1.00 0.00 ATOM 640 CD1 LEU 82 -10.428 -0.413 0.633 1.00 0.00 ATOM 641 CD2 LEU 82 -11.937 0.901 2.071 1.00 0.00 ATOM 642 O LEU 82 -8.944 1.129 -1.732 1.00 0.00 ATOM 643 C LEU 82 -8.392 1.455 -0.682 1.00 0.00 ATOM 644 N ASN 83 -7.206 0.981 -0.322 1.00 0.00 ATOM 645 CA ASN 83 -6.556 -0.095 -1.065 1.00 0.00 ATOM 646 CB ASN 83 -5.692 0.489 -2.172 1.00 0.00 ATOM 647 CG ASN 83 -5.122 -0.592 -3.066 1.00 0.00 ATOM 648 ND2 ASN 83 -5.379 -0.487 -4.365 1.00 0.00 ATOM 649 OD1 ASN 83 -4.458 -1.510 -2.596 1.00 0.00 ATOM 650 O ASN 83 -4.951 -0.168 0.707 1.00 0.00 ATOM 651 C ASN 83 -5.560 -0.790 -0.166 1.00 0.00 ATOM 652 N PRO 84 -5.238 -2.123 -0.470 1.00 0.00 ATOM 653 CA PRO 84 -4.301 -2.913 0.313 1.00 0.00 ATOM 654 CB PRO 84 -5.183 -3.954 1.004 1.00 0.00 ATOM 655 CG PRO 84 -6.315 -4.173 0.059 1.00 0.00 ATOM 656 CD PRO 84 -6.564 -2.846 -0.607 1.00 0.00 ATOM 657 O PRO 84 -3.465 -3.763 -1.762 1.00 0.00 ATOM 658 C PRO 84 -3.253 -3.558 -0.566 1.00 0.00 ATOM 659 N ARG 85 -2.105 -3.840 0.038 1.00 0.00 ATOM 660 CA ARG 85 -1.024 -4.522 -0.645 1.00 0.00 ATOM 661 CB ARG 85 0.011 -3.526 -1.147 1.00 0.00 ATOM 662 CG ARG 85 0.671 -2.699 -0.056 1.00 0.00 ATOM 663 CD ARG 85 1.722 -1.760 -0.625 1.00 0.00 ATOM 664 NE ARG 85 2.792 -2.503 -1.278 1.00 0.00 ATOM 665 CZ ARG 85 4.038 -2.077 -1.421 1.00 0.00 ATOM 666 NH1 ARG 85 4.397 -0.889 -0.949 1.00 0.00 ATOM 667 NH2 ARG 85 4.937 -2.837 -2.032 1.00 0.00 ATOM 668 O ARG 85 -0.125 -5.127 1.500 1.00 0.00 ATOM 669 C ARG 85 -0.358 -5.470 0.337 1.00 0.00 ATOM 670 N HIS 86 -0.181 -6.704 -0.114 1.00 0.00 ATOM 671 CA HIS 86 0.474 -7.739 0.667 1.00 0.00 ATOM 672 CB HIS 86 -0.453 -8.948 0.806 1.00 0.00 ATOM 673 CG HIS 86 -1.761 -8.635 1.461 1.00 0.00 ATOM 674 CD2 HIS 86 -3.095 -8.280 1.000 1.00 0.00 ATOM 675 ND1 HIS 86 -1.927 -8.637 2.829 1.00 0.00 ATOM 676 CE1 HIS 86 -3.203 -8.320 3.116 1.00 0.00 ATOM 677 NE2 HIS 86 -3.908 -8.105 2.024 1.00 0.00 ATOM 678 O HIS 86 1.642 -8.822 -1.096 1.00 0.00 ATOM 679 C HIS 86 1.710 -8.317 0.036 1.00 0.00 ATOM 680 N GLN 87 2.837 -8.321 0.722 1.00 0.00 ATOM 681 CA GLN 87 4.096 -8.668 0.102 1.00 0.00 ATOM 682 CB GLN 87 5.026 -7.462 0.067 1.00 0.00 ATOM 683 CG GLN 87 6.219 -7.627 -0.828 1.00 0.00 ATOM 684 CD GLN 87 5.873 -7.585 -2.306 1.00 0.00 ATOM 685 OE1 GLN 87 4.711 -7.401 -2.654 1.00 0.00 ATOM 686 NE2 GLN 87 6.885 -7.769 -3.173 1.00 0.00 ATOM 687 O GLN 87 4.628 -9.711 2.198 1.00 0.00 ATOM 688 C GLN 87 4.851 -9.647 0.984 1.00 0.00 ATOM 689 N HIS 88 5.747 -10.413 0.370 1.00 0.00 ATOM 690 CA HIS 88 6.546 -11.391 1.093 1.00 0.00 ATOM 691 CB HIS 88 7.192 -12.378 0.117 1.00 0.00 ATOM 692 CG HIS 88 6.211 -13.266 -0.581 1.00 0.00 ATOM 693 CD2 HIS 88 5.610 -13.310 -1.906 1.00 0.00 ATOM 694 ND1 HIS 88 5.630 -14.358 0.027 1.00 0.00 ATOM 695 CE1 HIS 88 4.799 -14.955 -0.846 1.00 0.00 ATOM 696 NE2 HIS 88 4.781 -14.331 -2.008 1.00 0.00 ATOM 697 O HIS 88 8.396 -9.898 1.368 1.00 0.00 ATOM 698 C HIS 88 7.655 -10.725 1.893 1.00 0.00 ATOM 699 N THR 89 7.724 -11.052 3.180 1.00 0.00 ATOM 700 CA THR 89 8.735 -10.479 4.060 1.00 0.00 ATOM 701 CB THR 89 8.484 -10.906 5.482 1.00 0.00 ATOM 702 CG2 THR 89 9.494 -10.320 6.407 1.00 0.00 ATOM 703 OG1 THR 89 7.233 -10.303 5.888 1.00 0.00 ATOM 704 O THR 89 11.102 -10.108 3.885 1.00 0.00 ATOM 705 C THR 89 10.160 -10.848 3.612 1.00 0.00 ATOM 706 N VAL 90 10.254 -12.095 2.985 1.00 0.00 ATOM 707 CA VAL 90 11.569 -12.506 2.504 1.00 0.00 ATOM 708 CB VAL 90 11.526 -13.914 1.878 1.00 0.00 ATOM 709 CG1 VAL 90 11.078 -14.940 2.908 1.00 0.00 ATOM 710 CG2 VAL 90 10.552 -13.949 0.710 1.00 0.00 ATOM 711 O VAL 90 13.201 -11.737 0.925 1.00 0.00 ATOM 712 C VAL 90 12.099 -11.550 1.438 1.00 0.00 ATOM 713 N THR 91 11.289 -10.566 1.054 1.00 0.00 ATOM 714 CA THR 91 11.737 -9.560 0.096 1.00 0.00 ATOM 715 CB THR 91 10.563 -9.300 -0.861 1.00 0.00 ATOM 716 CG2 THR 91 10.713 -8.160 -1.843 1.00 0.00 ATOM 717 OG1 THR 91 10.497 -10.502 -1.601 1.00 0.00 ATOM 718 O THR 91 13.120 -7.596 0.238 1.00 0.00 ATOM 719 C THR 91 12.531 -8.484 0.851 1.00 0.00 ATOM 720 N LEU 92 12.585 -8.608 2.180 1.00 0.00 ATOM 721 CA LEU 92 13.314 -7.668 3.035 1.00 0.00 ATOM 722 CB LEU 92 12.369 -7.045 4.064 1.00 0.00 ATOM 723 CG LEU 92 11.172 -6.273 3.506 1.00 0.00 ATOM 724 CD1 LEU 92 10.253 -5.820 4.630 1.00 0.00 ATOM 725 CD2 LEU 92 11.636 -5.041 2.743 1.00 0.00 ATOM 726 O LEU 92 14.397 -9.590 3.976 1.00 0.00 ATOM 727 C LEU 92 14.440 -8.379 3.782 1.00 0.00 ATOM 728 N TYR 93 15.431 -7.610 4.228 1.00 0.00 ATOM 729 CA TYR 93 16.541 -8.165 4.990 1.00 0.00 ATOM 730 CB TYR 93 17.771 -8.341 4.095 1.00 0.00 ATOM 731 CG TYR 93 17.545 -9.263 2.918 1.00 0.00 ATOM 732 CD1 TYR 93 17.098 -8.766 1.700 1.00 0.00 ATOM 733 CD2 TYR 93 17.781 -10.627 3.029 1.00 0.00 ATOM 734 CE1 TYR 93 16.890 -9.601 0.620 1.00 0.00 ATOM 735 CE2 TYR 93 17.577 -11.478 1.958 1.00 0.00 ATOM 736 CZ TYR 93 17.127 -10.953 0.747 1.00 0.00 ATOM 737 OH TYR 93 16.920 -11.786 -0.327 1.00 0.00 ATOM 738 O TYR 93 16.705 -6.017 6.048 1.00 0.00 ATOM 739 C TYR 93 16.930 -7.229 6.122 1.00 0.00 ATOM 740 N ALA 94 17.469 -7.803 7.189 1.00 0.00 ATOM 741 CA ALA 94 17.911 -7.019 8.330 1.00 0.00 ATOM 742 CB ALA 94 18.246 -7.934 9.499 1.00 0.00 ATOM 743 O ALA 94 19.937 -6.646 7.104 1.00 0.00 ATOM 744 C ALA 94 19.144 -6.216 7.947 1.00 0.00 ATOM 745 N LYS 95 19.284 -4.918 8.629 1.00 0.00 ATOM 746 CA LYS 95 20.430 -4.067 8.362 1.00 0.00 ATOM 747 CB LYS 95 21.683 -4.913 8.122 1.00 0.00 ATOM 748 CG LYS 95 22.128 -5.719 9.330 1.00 0.00 ATOM 749 CD LYS 95 23.393 -6.509 9.034 1.00 0.00 ATOM 750 CE LYS 95 23.826 -7.332 10.234 1.00 0.00 ATOM 751 NZ LYS 95 25.116 -8.035 9.991 1.00 0.00 ATOM 752 O LYS 95 20.928 -2.036 7.210 1.00 0.00 ATOM 753 C LYS 95 20.198 -3.024 7.289 1.00 0.00 ATOM 754 N GLY 96 19.225 -3.267 6.421 1.00 0.00 ATOM 755 CA GLY 96 18.899 -2.322 5.364 1.00 0.00 ATOM 756 O GLY 96 16.685 -1.875 6.163 1.00 0.00 ATOM 757 C GLY 96 17.718 -1.418 5.675 1.00 0.00 ATOM 758 N LEU 97 17.887 -0.126 5.412 1.00 0.00 ATOM 759 CA LEU 97 16.824 0.843 5.663 1.00 0.00 ATOM 760 CB LEU 97 17.419 2.230 5.918 1.00 0.00 ATOM 761 CG LEU 97 16.419 3.356 6.193 1.00 0.00 ATOM 762 CD1 LEU 97 15.691 3.119 7.507 1.00 0.00 ATOM 763 CD2 LEU 97 17.129 4.698 6.277 1.00 0.00 ATOM 764 O LEU 97 16.326 1.100 3.325 1.00 0.00 ATOM 765 C LEU 97 15.897 0.924 4.474 1.00 0.00 ATOM 766 N THR 98 14.689 0.707 4.748 1.00 0.00 ATOM 767 CA THR 98 13.684 0.824 3.712 1.00 0.00 ATOM 768 CB THR 98 12.798 -0.443 3.591 1.00 0.00 ATOM 769 CG2 THR 98 13.624 -1.663 3.218 1.00 0.00 ATOM 770 OG1 THR 98 12.125 -0.687 4.832 1.00 0.00 ATOM 771 O THR 98 12.790 2.529 5.135 1.00 0.00 ATOM 772 C THR 98 12.889 2.080 3.991 1.00 0.00 ATOM 773 N CYS 99 12.298 2.631 2.935 1.00 0.00 ATOM 774 CA CYS 99 11.471 3.831 3.040 1.00 0.00 ATOM 775 CB CYS 99 12.220 5.031 2.457 1.00 0.00 ATOM 776 SG CYS 99 11.306 6.590 2.536 1.00 0.00 ATOM 777 O CYS 99 10.199 3.099 1.147 1.00 0.00 ATOM 778 C CYS 99 10.190 3.657 2.246 1.00 0.00 ATOM 779 N LYS 100 9.093 4.139 2.812 1.00 0.00 ATOM 780 CA LYS 100 7.804 4.112 2.136 1.00 0.00 ATOM 781 CB LYS 100 6.753 3.511 2.984 1.00 0.00 ATOM 782 CG LYS 100 6.281 4.076 4.063 1.00 0.00 ATOM 783 CD LYS 100 5.103 3.285 4.604 1.00 0.00 ATOM 784 CE LYS 100 4.322 4.153 5.577 1.00 0.00 ATOM 785 NZ LYS 100 5.232 4.803 6.546 1.00 0.00 ATOM 786 O LYS 100 7.974 6.446 2.693 1.00 0.00 ATOM 787 C LYS 100 7.559 5.595 1.893 1.00 0.00 ATOM 788 N ALA 101 6.915 5.914 0.781 1.00 0.00 ATOM 789 CA ALA 101 6.664 7.300 0.405 1.00 0.00 ATOM 790 CB ALA 101 7.941 7.943 -0.109 1.00 0.00 ATOM 791 O ALA 101 5.183 6.336 -1.213 1.00 0.00 ATOM 792 C ALA 101 5.604 7.362 -0.680 1.00 0.00 ATOM 793 N ASP 102 5.129 8.577 -0.939 1.00 0.00 ATOM 794 CA ASP 102 4.149 8.840 -1.979 1.00 0.00 ATOM 795 CB ASP 102 3.068 9.795 -1.473 1.00 0.00 ATOM 796 CG ASP 102 1.948 9.994 -2.476 1.00 0.00 ATOM 797 OD1 ASP 102 1.988 9.346 -3.545 1.00 0.00 ATOM 798 OD2 ASP 102 1.032 10.794 -2.196 1.00 0.00 ATOM 799 O ASP 102 5.461 10.542 -3.066 1.00 0.00 ATOM 800 C ASP 102 4.854 9.486 -3.184 1.00 0.00 ATOM 801 N THR 103 4.773 8.829 -4.340 1.00 0.00 ATOM 802 CA THR 103 5.412 9.340 -5.544 1.00 0.00 ATOM 803 CB THR 103 5.717 8.229 -6.567 1.00 0.00 ATOM 804 CG2 THR 103 6.591 7.155 -5.938 1.00 0.00 ATOM 805 OG1 THR 103 4.494 7.633 -7.009 1.00 0.00 ATOM 806 O THR 103 5.127 10.767 -7.437 1.00 0.00 ATOM 807 C THR 103 4.680 10.398 -6.352 1.00 0.00 ATOM 808 N LEU 104 3.512 10.910 -5.796 1.00 0.00 ATOM 809 CA LEU 104 2.798 11.953 -6.511 1.00 0.00 ATOM 810 CB LEU 104 1.493 12.270 -5.778 1.00 0.00 ATOM 811 CG LEU 104 0.586 13.313 -6.431 1.00 0.00 ATOM 812 CD1 LEU 104 0.041 12.798 -7.756 1.00 0.00 ATOM 813 CD2 LEU 104 -0.593 13.642 -5.528 1.00 0.00 ATOM 814 O LEU 104 4.492 13.307 -5.489 1.00 0.00 ATOM 815 C LEU 104 3.772 13.134 -6.474 1.00 0.00 ATOM 816 N SER 105 3.833 13.946 -7.541 1.00 0.00 ATOM 817 CA SER 105 4.755 15.088 -7.569 1.00 0.00 ATOM 818 CB SER 105 4.349 16.079 -8.662 1.00 0.00 ATOM 819 OG SER 105 5.255 17.166 -8.728 1.00 0.00 ATOM 820 O SER 105 3.751 16.298 -5.743 1.00 0.00 ATOM 821 C SER 105 4.791 15.895 -6.276 1.00 0.00 ATOM 822 N SER 106 6.059 16.078 -5.736 1.00 0.00 ATOM 823 CA SER 106 6.243 16.843 -4.521 1.00 0.00 ATOM 824 CB SER 106 5.343 18.124 -4.626 1.00 0.00 ATOM 825 OG SER 106 5.511 18.812 -5.859 1.00 0.00 ATOM 826 O SER 106 6.388 16.695 -2.143 1.00 0.00 ATOM 827 C SER 106 5.861 16.270 -3.175 1.00 0.00 ATOM 828 N CYS 107 4.989 15.271 -3.173 1.00 0.00 ATOM 829 CA CYS 107 4.534 14.693 -1.919 1.00 0.00 ATOM 830 CB CYS 107 4.069 13.252 -2.059 1.00 0.00 ATOM 831 SG CYS 107 3.087 12.660 -0.618 1.00 0.00 ATOM 832 O CYS 107 5.412 14.130 0.206 1.00 0.00 ATOM 833 C CYS 107 5.557 14.050 -1.009 1.00 0.00 ATOM 834 N ASP 108 6.687 13.410 -1.581 1.00 0.00 ATOM 835 CA ASP 108 7.666 12.722 -0.736 1.00 0.00 ATOM 836 CB ASP 108 8.848 12.246 -1.606 1.00 0.00 ATOM 837 CG ASP 108 9.781 13.379 -1.979 1.00 0.00 ATOM 838 OD1 ASP 108 9.395 14.556 -1.824 1.00 0.00 ATOM 839 OD2 ASP 108 10.901 13.077 -2.440 1.00 0.00 ATOM 840 O ASP 108 8.967 13.117 1.224 1.00 0.00 ATOM 841 C ASP 108 8.410 13.615 0.249 1.00 0.00 ATOM 842 N TYR 109 8.418 14.925 0.002 1.00 0.00 ATOM 843 CA TYR 109 9.069 15.869 0.909 1.00 0.00 ATOM 844 CB TYR 109 8.856 17.307 0.433 1.00 0.00 ATOM 845 CG TYR 109 9.561 18.343 1.276 1.00 0.00 ATOM 846 CD1 TYR 109 10.934 18.532 1.174 1.00 0.00 ATOM 847 CD2 TYR 109 8.853 19.131 2.176 1.00 0.00 ATOM 848 CE1 TYR 109 11.588 19.477 1.942 1.00 0.00 ATOM 849 CE2 TYR 109 9.491 20.081 2.952 1.00 0.00 ATOM 850 CZ TYR 109 10.868 20.249 2.827 1.00 0.00 ATOM 851 OH TYR 109 11.517 21.190 3.593 1.00 0.00 ATOM 852 O TYR 109 9.248 15.828 3.309 1.00 0.00 ATOM 853 C TYR 109 8.515 15.696 2.329 1.00 0.00 ATOM 854 N VAL 110 7.231 15.355 2.430 1.00 0.00 ATOM 855 CA VAL 110 6.558 15.154 3.712 1.00 0.00 ATOM 856 CB VAL 110 5.285 16.014 3.806 1.00 0.00 ATOM 857 CG1 VAL 110 4.555 15.747 5.114 1.00 0.00 ATOM 858 CG2 VAL 110 5.635 17.492 3.744 1.00 0.00 ATOM 859 O VAL 110 6.538 13.025 4.819 1.00 0.00 ATOM 860 C VAL 110 6.178 13.698 3.852 1.00 0.00 ATOM 861 N TYR 111 5.382 13.175 2.806 1.00 0.00 ATOM 862 CA TYR 111 4.949 11.796 2.830 1.00 0.00 ATOM 863 CB TYR 111 3.471 11.627 2.901 1.00 0.00 ATOM 864 CG TYR 111 3.019 10.194 2.704 1.00 0.00 ATOM 865 CD1 TYR 111 3.269 9.222 3.674 1.00 0.00 ATOM 866 CD2 TYR 111 2.366 9.808 1.538 1.00 0.00 ATOM 867 CE1 TYR 111 2.874 7.892 3.480 1.00 0.00 ATOM 868 CE2 TYR 111 1.971 8.490 1.334 1.00 0.00 ATOM 869 CZ TYR 111 2.226 7.539 2.307 1.00 0.00 ATOM 870 OH TYR 111 1.827 6.240 2.097 1.00 0.00 ATOM 871 O TYR 111 6.055 10.084 1.561 1.00 0.00 ATOM 872 C TYR 111 5.964 10.691 2.628 1.00 0.00 ATOM 873 N LEU 112 6.708 10.430 3.694 1.00 0.00 ATOM 874 CA LEU 112 7.728 9.398 3.711 1.00 0.00 ATOM 875 CB LEU 112 9.015 9.928 3.075 1.00 0.00 ATOM 876 CG LEU 112 9.805 10.950 3.895 1.00 0.00 ATOM 877 CD1 LEU 112 11.203 11.131 3.327 1.00 0.00 ATOM 878 CD2 LEU 112 9.110 12.302 3.882 1.00 0.00 ATOM 879 O LEU 112 7.717 9.714 6.078 1.00 0.00 ATOM 880 C LEU 112 7.947 8.965 5.129 1.00 0.00 ATOM 881 N ALA 113 8.335 7.715 5.252 1.00 0.00 ATOM 882 CA ALA 113 8.580 7.116 6.520 1.00 0.00 ATOM 883 CB ALA 113 7.324 6.619 7.223 1.00 0.00 ATOM 884 O ALA 113 9.721 5.389 5.298 1.00 0.00 ATOM 885 C ALA 113 9.528 5.937 6.393 1.00 0.00 ATOM 886 N VAL 114 10.010 5.502 7.583 1.00 0.00 ATOM 887 CA VAL 114 10.982 4.410 7.577 1.00 0.00 ATOM 888 CB VAL 114 11.983 4.556 8.739 1.00 0.00 ATOM 889 CG1 VAL 114 12.885 3.336 8.820 1.00 0.00 ATOM 890 CG2 VAL 114 12.852 5.786 8.540 1.00 0.00 ATOM 891 O VAL 114 9.258 2.931 8.364 1.00 0.00 ATOM 892 C VAL 114 10.340 3.042 7.792 1.00 0.00 ATOM 893 N TYR 115 10.959 2.020 7.216 1.00 0.00 ATOM 894 CA TYR 115 10.505 0.650 7.402 1.00 0.00 ATOM 895 CB TYR 115 9.694 0.244 6.178 1.00 0.00 ATOM 896 CG TYR 115 8.994 -1.078 6.239 1.00 0.00 ATOM 897 CD1 TYR 115 7.824 -1.155 6.992 1.00 0.00 ATOM 898 CD2 TYR 115 9.437 -2.209 5.571 1.00 0.00 ATOM 899 CE1 TYR 115 7.133 -2.358 7.074 1.00 0.00 ATOM 900 CE2 TYR 115 8.746 -3.426 5.647 1.00 0.00 ATOM 901 CZ TYR 115 7.596 -3.474 6.404 1.00 0.00 ATOM 902 OH TYR 115 6.857 -4.618 6.538 1.00 0.00 ATOM 903 O TYR 115 12.812 0.096 7.118 1.00 0.00 ATOM 904 C TYR 115 11.766 -0.116 7.730 1.00 0.00 ATOM 905 N PRO 116 11.675 -1.037 8.829 1.00 0.00 ATOM 906 CA PRO 116 12.832 -1.818 9.227 1.00 0.00 ATOM 907 CB PRO 116 13.378 -1.076 10.447 1.00 0.00 ATOM 908 CG PRO 116 12.906 0.328 10.274 1.00 0.00 ATOM 909 CD PRO 116 11.532 0.233 9.670 1.00 0.00 ATOM 910 O PRO 116 11.384 -3.477 10.164 1.00 0.00 ATOM 911 C PRO 116 12.440 -3.243 9.575 1.00 0.00 ATOM 912 N THR 117 13.355 -4.191 9.219 1.00 0.00 ATOM 913 CA THR 117 13.110 -5.583 9.548 1.00 0.00 ATOM 914 CB THR 117 13.940 -6.527 8.658 1.00 0.00 ATOM 915 CG2 THR 117 13.634 -6.283 7.188 1.00 0.00 ATOM 916 OG1 THR 117 15.336 -6.297 8.885 1.00 0.00 ATOM 917 O THR 117 14.025 -4.911 11.644 1.00 0.00 ATOM 918 C THR 117 13.458 -5.801 11.009 1.00 0.00 ATOM 919 N PRO 118 13.058 -6.943 11.540 1.00 0.00 ATOM 920 CA PRO 118 13.313 -7.271 12.944 1.00 0.00 ATOM 921 CB PRO 118 12.772 -8.638 13.145 1.00 0.00 ATOM 922 CG PRO 118 12.815 -9.259 11.791 1.00 0.00 ATOM 923 CD PRO 118 12.354 -8.137 10.891 1.00 0.00 ATOM 924 O PRO 118 15.256 -6.767 14.266 1.00 0.00 ATOM 925 C PRO 118 14.816 -7.277 13.235 1.00 0.00 ATOM 926 N GLU 119 15.600 -7.815 12.309 1.00 0.00 ATOM 927 CA GLU 119 17.048 -7.871 12.485 1.00 0.00 ATOM 928 CB GLU 119 17.714 -8.802 11.412 1.00 0.00 ATOM 929 CG GLU 119 17.443 -10.268 11.659 1.00 0.00 ATOM 930 CD GLU 119 17.861 -11.152 10.501 1.00 0.00 ATOM 931 OE1 GLU 119 18.369 -10.698 9.466 1.00 0.00 ATOM 932 OE2 GLU 119 17.680 -12.419 10.616 1.00 0.00 ATOM 933 O GLU 119 18.530 -6.110 13.297 1.00 0.00 ATOM 934 C GLU 119 17.636 -6.439 12.480 1.00 0.00 ATOM 935 N MET 120 17.105 -5.566 11.625 1.00 0.00 ATOM 936 CA MET 120 17.604 -4.199 11.550 1.00 0.00 ATOM 937 CB MET 120 16.906 -3.437 10.423 1.00 0.00 ATOM 938 CG MET 120 17.451 -2.038 10.188 1.00 0.00 ATOM 939 SD MET 120 16.692 -1.223 8.770 1.00 0.00 ATOM 940 CE MET 120 17.494 0.377 8.829 1.00 0.00 ATOM 941 O MET 120 18.297 -2.877 13.458 1.00 0.00 ATOM 942 C MET 120 17.366 -3.444 12.884 1.00 0.00 ATOM 943 N LYS 121 15.978 -3.420 13.356 1.00 0.00 ATOM 944 CA LYS 121 15.702 -2.728 14.598 1.00 0.00 ATOM 945 CB LYS 121 16.442 -3.390 15.761 1.00 0.00 ATOM 946 CG LYS 121 15.973 -4.804 16.074 1.00 0.00 ATOM 947 CD LYS 121 16.749 -5.396 17.238 1.00 0.00 ATOM 948 CE LYS 121 16.281 -6.808 17.549 1.00 0.00 ATOM 949 NZ LYS 121 17.009 -7.393 18.709 1.00 0.00 ATOM 950 O LYS 121 15.763 -0.538 15.539 1.00 0.00 ATOM 951 C LYS 121 16.109 -1.272 14.608 1.00 0.00 ATOM 952 N ASN 122 16.867 -0.845 13.598 1.00 0.00 ATOM 953 CA ASN 122 17.281 0.555 13.523 1.00 0.00 ATOM 954 CB ASN 122 18.809 0.651 13.280 1.00 0.00 ATOM 955 CG ASN 122 19.631 -0.031 14.348 1.00 0.00 ATOM 956 ND2 ASN 122 20.928 -0.175 14.088 1.00 0.00 ATOM 957 OD1 ASN 122 19.119 -0.416 15.398 1.00 0.00 ATOM 958 O ASN 122 16.072 0.759 11.447 1.00 0.00 ATOM 959 C ASN 122 16.410 1.294 12.509 1.00 0.00 TER END