PFRMAT TS TARGET T0319 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD O_NOTOR2 an alphabet for predicting chracteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting chracteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD We still have nothing but junk for this target. METHOD Here's the best we came up with. Everything was created by repeated METHOD insertion of alignments, so it is difficult to tell what templates METHOD were used. METHOD METHOD Model 1 is try1-opt2, the automatic prediction, last insertion 1wdjA. METHOD METHOD Model 2 is try4-opt2, last insertion was 1wpuA. METHOD METHOD Model 3 is try6-opt2, last insertion was 1f2tB. METHOD METHOD Model 4 is try8-opt2, last insertion was 1wdjA. METHOD METHOD Model 5 is try3-opt2, last insertion was 1sqlA. METHOD REMARK 6 REMARK 6 T0319 model 5 Thu Jul 13 18:28:34 2006 MODEL 5 PARENT 1rly_A 1yk4_A 1vq0_A 1iro 1zin REMARK 7 REMARK 7 ALLPARENTS 1rly_A 1yk4_A 1vq0_A 1iro 1zin 1woy_A 1dx8_A REMARK 7 ALLPARENTS 1rb9 1rdg 1weo_A 1dl6_A 1brf_A 1wdj_A 1fp1_D REMARK 7 ALLPARENTS 2cc0_A 1w2l_A 1r5t_A 1y2q_A 1f2t_B 1jtk_A 1uwz_A REMARK 7 ALLPARENTS 2f2e_A 1kll_A 1o8x_A 1oni_A 1ir2_1 1i5g_A 1pf5_A REMARK 7 ALLPARENTS 1qah_A 1ewx_A 1wn5_A 1qk8_A 1vmf_A 1fjg_I 2anx_A REMARK 7 ALLPARENTS 1fjg_K 1f2t_B 1ewx_A 1srv_A 1y2q_A 1o8x_A 1qk8_A REMARK 7 ALLPARENTS 1i5g_A 1jke_A 1wpu_A 1pc6_A 1j7g_A 1sql_A 2a2l_A REMARK 7 ALLPARENTS 1f4p_A 1nme_A 1vmf_A 1em8_A 2fy6_A 1k2x_B 1th8_A ATOM 1 N MET 1 -10.341 -4.224 21.381 1.00 0.00 ATOM 2 CA MET 1 -9.390 -3.072 21.099 1.00 0.00 ATOM 3 CB MET 1 -7.932 -3.590 21.045 1.00 0.00 ATOM 4 CG MET 1 -7.452 -4.420 19.857 1.00 0.00 ATOM 5 SD MET 1 -5.856 -5.313 19.825 1.00 0.00 ATOM 6 CE MET 1 -4.559 -4.086 20.199 1.00 0.00 ATOM 7 O MET 1 -10.144 -2.913 18.889 1.00 0.00 ATOM 8 C MET 1 -9.844 -2.324 19.891 1.00 0.00 ATOM 9 N LYS 2 -9.918 -0.967 19.936 1.00 0.00 ATOM 10 CA LYS 2 -10.316 -0.167 18.792 1.00 0.00 ATOM 11 CB LYS 2 -10.513 1.297 19.204 1.00 0.00 ATOM 12 CG LYS 2 -9.277 1.953 19.800 1.00 0.00 ATOM 13 CD LYS 2 -9.434 3.467 19.905 1.00 0.00 ATOM 14 CE LYS 2 -10.624 3.855 20.766 1.00 0.00 ATOM 15 NZ LYS 2 -10.804 5.335 20.824 1.00 0.00 ATOM 16 O LYS 2 -9.579 0.217 16.547 1.00 0.00 ATOM 17 C LYS 2 -9.295 -0.227 17.660 1.00 0.00 ATOM 18 N PHE 3 -8.123 -0.793 17.919 1.00 0.00 ATOM 19 CA PHE 3 -7.116 -0.881 16.883 1.00 0.00 ATOM 20 CB PHE 3 -6.380 0.452 16.749 1.00 0.00 ATOM 21 CG PHE 3 -5.627 0.856 17.986 1.00 0.00 ATOM 22 CD1 PHE 3 -4.292 0.526 18.138 1.00 0.00 ATOM 23 CD2 PHE 3 -6.255 1.567 18.995 1.00 0.00 ATOM 24 CE1 PHE 3 -3.600 0.898 19.276 1.00 0.00 ATOM 25 CE2 PHE 3 -5.563 1.938 20.130 1.00 0.00 ATOM 26 CZ PHE 3 -4.241 1.607 20.275 1.00 0.00 ATOM 27 O PHE 3 -5.947 -2.371 18.345 1.00 0.00 ATOM 28 C PHE 3 -6.107 -1.957 17.191 1.00 0.00 ATOM 29 N LEU 4 -5.477 -2.455 16.139 1.00 0.00 ATOM 30 CA LEU 4 -4.448 -3.466 16.279 1.00 0.00 ATOM 31 CB LEU 4 -4.533 -4.486 15.142 1.00 0.00 ATOM 32 CG LEU 4 -5.834 -5.286 15.045 1.00 0.00 ATOM 33 CD1 LEU 4 -5.816 -6.198 13.827 1.00 0.00 ATOM 34 CD2 LEU 4 -6.028 -6.150 16.283 1.00 0.00 ATOM 35 O LEU 4 -3.052 -1.714 15.439 1.00 0.00 ATOM 36 C LEU 4 -3.162 -2.662 16.222 1.00 0.00 ATOM 37 N THR 5 -2.211 -3.004 17.074 1.00 0.00 ATOM 38 CA THR 5 -0.975 -2.260 17.104 1.00 0.00 ATOM 39 CB THR 5 -0.621 -1.787 18.530 1.00 0.00 ATOM 40 CG2 THR 5 0.686 -1.006 18.527 1.00 0.00 ATOM 41 OG1 THR 5 -1.671 -0.945 19.026 1.00 0.00 ATOM 42 O THR 5 0.451 -4.187 17.313 1.00 0.00 ATOM 43 C THR 5 0.255 -3.096 16.770 1.00 0.00 ATOM 44 N THR 6 1.050 -2.484 15.790 1.00 0.00 ATOM 45 CA THR 6 2.310 -3.122 15.422 1.00 0.00 ATOM 46 CB THR 6 2.334 -3.505 13.930 1.00 0.00 ATOM 47 CG2 THR 6 3.653 -4.169 13.571 1.00 0.00 ATOM 48 OG1 THR 6 1.263 -4.416 13.650 1.00 0.00 ATOM 49 O THR 6 3.403 -0.991 15.118 1.00 0.00 ATOM 50 C THR 6 3.355 -2.058 15.745 1.00 0.00 ATOM 51 N ASN 7 4.144 -2.330 16.780 1.00 0.00 ATOM 52 CA ASN 7 5.152 -1.389 17.257 1.00 0.00 ATOM 53 CB ASN 7 5.262 -1.528 18.707 1.00 0.00 ATOM 54 CG ASN 7 4.203 -0.587 19.246 1.00 0.00 ATOM 55 ND2 ASN 7 4.174 0.633 18.726 1.00 0.00 ATOM 56 OD1 ASN 7 3.413 -0.957 20.112 1.00 0.00 ATOM 57 O ASN 7 6.934 -2.983 17.222 1.00 0.00 ATOM 58 C ASN 7 6.573 -1.837 16.998 1.00 0.00 ATOM 59 N PHE 8 7.376 -0.894 16.607 1.00 0.00 ATOM 60 CA PHE 8 8.810 -1.023 16.408 1.00 0.00 ATOM 61 CB PHE 8 9.536 -1.288 17.729 1.00 0.00 ATOM 62 CG PHE 8 9.426 -0.163 18.716 1.00 0.00 ATOM 63 CD1 PHE 8 8.576 -0.258 19.805 1.00 0.00 ATOM 64 CD2 PHE 8 10.175 0.991 18.558 1.00 0.00 ATOM 65 CE1 PHE 8 8.476 0.779 20.714 1.00 0.00 ATOM 66 CE2 PHE 8 10.075 2.026 19.468 1.00 0.00 ATOM 67 CZ PHE 8 9.230 1.924 20.541 1.00 0.00 ATOM 68 O PHE 8 9.897 -3.110 15.946 1.00 0.00 ATOM 69 C PHE 8 9.193 -2.187 15.516 1.00 0.00 ATOM 70 N LEU 9 8.594 -2.155 14.260 1.00 0.00 ATOM 71 CA LEU 9 8.909 -3.232 13.339 1.00 0.00 ATOM 72 CB LEU 9 7.792 -3.398 12.307 1.00 0.00 ATOM 73 CG LEU 9 7.963 -4.536 11.298 1.00 0.00 ATOM 74 CD1 LEU 9 7.921 -5.886 11.997 1.00 0.00 ATOM 75 CD2 LEU 9 6.856 -4.503 10.258 1.00 0.00 ATOM 76 O LEU 9 10.332 -1.653 12.236 1.00 0.00 ATOM 77 C LEU 9 10.220 -2.792 12.682 1.00 0.00 ATOM 78 N LYS 10 11.215 -3.682 12.657 1.00 0.00 ATOM 79 CA LYS 10 12.502 -3.400 12.021 1.00 0.00 ATOM 80 CB LYS 10 13.653 -3.762 12.962 1.00 0.00 ATOM 81 CG LYS 10 13.700 -2.928 14.234 1.00 0.00 ATOM 82 CD LYS 10 14.858 -3.347 15.125 1.00 0.00 ATOM 83 CE LYS 10 14.917 -2.501 16.387 1.00 0.00 ATOM 84 NZ LYS 10 16.096 -2.842 17.229 1.00 0.00 ATOM 85 O LYS 10 12.563 -5.469 10.795 1.00 0.00 ATOM 86 C LYS 10 12.602 -4.239 10.744 1.00 0.00 ATOM 87 N CYS 11 12.726 -3.569 9.603 1.00 0.00 ATOM 88 CA CYS 11 12.831 -4.242 8.311 1.00 0.00 ATOM 89 CB CYS 11 11.579 -3.982 7.469 1.00 0.00 ATOM 90 SG CYS 11 10.051 -4.632 8.184 1.00 0.00 ATOM 91 O CYS 11 14.399 -2.537 7.725 1.00 0.00 ATOM 92 C CYS 11 14.051 -3.706 7.579 1.00 0.00 ATOM 93 N SER 12 14.715 -4.553 6.803 1.00 0.00 ATOM 94 CA SER 12 15.868 -4.090 6.044 1.00 0.00 ATOM 95 CB SER 12 16.928 -5.190 5.956 1.00 0.00 ATOM 96 OG SER 12 18.010 -4.792 5.132 1.00 0.00 ATOM 97 O SER 12 14.638 -4.531 4.029 1.00 0.00 ATOM 98 C SER 12 15.339 -3.736 4.653 1.00 0.00 ATOM 99 N VAL 13 15.645 -2.529 4.188 1.00 0.00 ATOM 100 CA VAL 13 15.151 -2.090 2.898 1.00 0.00 ATOM 101 CB VAL 13 13.877 -1.188 3.051 1.00 0.00 ATOM 102 CG1 VAL 13 12.803 -1.917 3.847 1.00 0.00 ATOM 103 CG2 VAL 13 14.257 0.118 3.732 1.00 0.00 ATOM 104 O VAL 13 17.283 -1.070 2.608 1.00 0.00 ATOM 105 C VAL 13 16.166 -1.276 2.135 1.00 0.00 ATOM 106 N LYS 14 15.795 -0.830 0.945 1.00 0.00 ATOM 107 CA LYS 14 16.736 -0.082 0.121 1.00 0.00 ATOM 108 CB LYS 14 17.862 -0.964 -0.350 1.00 0.00 ATOM 109 CG LYS 14 17.620 -1.914 -1.508 1.00 0.00 ATOM 110 CD LYS 14 18.902 -2.613 -1.975 1.00 0.00 ATOM 111 CE LYS 14 18.663 -3.531 -3.112 1.00 0.00 ATOM 112 NZ LYS 14 19.919 -4.191 -3.500 1.00 0.00 ATOM 113 O LYS 14 16.578 1.676 -1.490 1.00 0.00 ATOM 114 C LYS 14 16.214 1.252 -0.399 1.00 0.00 ATOM 115 N ALA 15 15.398 1.936 0.394 1.00 0.00 ATOM 116 CA ALA 15 14.849 3.225 -0.027 1.00 0.00 ATOM 117 CB ALA 15 13.556 3.520 0.719 1.00 0.00 ATOM 118 O ALA 15 16.611 4.349 1.170 1.00 0.00 ATOM 119 C ALA 15 15.809 4.390 0.241 1.00 0.00 ATOM 120 N CYS 16 15.729 5.625 -0.480 1.00 0.00 ATOM 121 CA CYS 16 16.595 6.768 -0.266 1.00 0.00 ATOM 122 CB CYS 16 17.960 6.314 0.257 1.00 0.00 ATOM 123 SG CYS 16 17.914 5.535 1.888 1.00 0.00 ATOM 124 O CYS 16 16.657 6.999 -2.637 1.00 0.00 ATOM 125 C CYS 16 16.834 7.537 -1.541 1.00 0.00 ATOM 126 N ASP 17 17.262 8.788 -1.396 1.00 0.00 ATOM 127 CA ASP 17 17.543 9.663 -2.532 1.00 0.00 ATOM 128 CB ASP 17 17.392 11.129 -2.124 1.00 0.00 ATOM 129 CG ASP 17 15.974 11.478 -1.716 1.00 0.00 ATOM 130 OD1 ASP 17 15.052 11.273 -2.535 1.00 0.00 ATOM 131 OD2 ASP 17 15.782 11.955 -0.578 1.00 0.00 ATOM 132 O ASP 17 19.187 9.433 -4.257 1.00 0.00 ATOM 133 C ASP 17 18.955 9.433 -3.051 1.00 0.00 ATOM 134 N THR 18 19.897 9.231 -2.135 1.00 0.00 ATOM 135 CA THR 18 21.282 9.005 -2.531 1.00 0.00 ATOM 136 CB THR 18 22.232 9.091 -1.323 1.00 0.00 ATOM 137 CG2 THR 18 23.673 8.875 -1.760 1.00 0.00 ATOM 138 OG1 THR 18 22.121 10.385 -0.716 1.00 0.00 ATOM 139 O THR 18 20.712 6.656 -2.796 1.00 0.00 ATOM 140 C THR 18 21.352 7.626 -3.221 1.00 0.00 ATOM 141 N SER 19 21.817 7.797 -4.555 1.00 0.00 ATOM 142 CA SER 19 21.862 6.581 -5.369 1.00 0.00 ATOM 143 CB SER 19 22.698 6.755 -6.638 1.00 0.00 ATOM 144 OG SER 19 22.041 7.597 -7.570 1.00 0.00 ATOM 145 O SER 19 22.035 4.351 -4.508 1.00 0.00 ATOM 146 C SER 19 22.521 5.478 -4.544 1.00 0.00 ATOM 147 N ASN 20 23.633 5.796 -3.895 1.00 0.00 ATOM 148 CA ASN 20 24.324 4.803 -3.081 1.00 0.00 ATOM 149 CB ASN 20 25.494 5.445 -2.332 1.00 0.00 ATOM 150 CG ASN 20 26.661 5.770 -3.243 1.00 0.00 ATOM 151 ND2 ASN 20 27.570 6.609 -2.760 1.00 0.00 ATOM 152 OD1 ASN 20 26.742 5.274 -4.368 1.00 0.00 ATOM 153 O ASN 20 23.523 3.018 -1.705 1.00 0.00 ATOM 154 C ASN 20 23.387 4.201 -2.070 1.00 0.00 ATOM 155 N ASP 21 22.493 5.046 -1.491 1.00 0.00 ATOM 156 CA ASP 21 21.600 4.609 -0.445 1.00 0.00 ATOM 157 CB ASP 21 20.724 5.771 0.030 1.00 0.00 ATOM 158 CG ASP 21 21.496 6.783 0.853 1.00 0.00 ATOM 159 OD1 ASP 21 22.637 6.476 1.256 1.00 0.00 ATOM 160 OD2 ASP 21 20.958 7.884 1.096 1.00 0.00 ATOM 161 O ASP 21 20.393 2.535 -0.246 1.00 0.00 ATOM 162 C ASP 21 20.695 3.481 -0.973 1.00 0.00 ATOM 163 N ASN 22 20.260 3.631 -2.199 1.00 0.00 ATOM 164 CA ASN 22 19.407 2.618 -2.783 1.00 0.00 ATOM 165 CB ASN 22 18.836 3.111 -4.115 1.00 0.00 ATOM 166 CG ASN 22 17.789 4.193 -3.934 1.00 0.00 ATOM 167 ND2 ASN 22 17.556 4.968 -4.986 1.00 0.00 ATOM 168 OD1 ASN 22 17.201 4.327 -2.861 1.00 0.00 ATOM 169 O ASN 22 19.574 0.215 -2.713 1.00 0.00 ATOM 170 C ASN 22 20.132 1.285 -2.983 1.00 0.00 ATOM 171 N PHE 23 21.324 1.300 -3.416 1.00 0.00 ATOM 172 CA PHE 23 22.073 0.071 -3.597 1.00 0.00 ATOM 173 CB PHE 23 23.288 0.312 -4.495 1.00 0.00 ATOM 174 CG PHE 23 22.937 0.750 -5.887 1.00 0.00 ATOM 175 CD1 PHE 23 23.044 2.079 -6.257 1.00 0.00 ATOM 176 CD2 PHE 23 22.498 -0.167 -6.827 1.00 0.00 ATOM 177 CE1 PHE 23 22.720 2.484 -7.539 1.00 0.00 ATOM 178 CE2 PHE 23 22.173 0.238 -8.109 1.00 0.00 ATOM 179 CZ PHE 23 22.283 1.556 -8.466 1.00 0.00 ATOM 180 O PHE 23 22.152 -1.822 -2.139 1.00 0.00 ATOM 181 C PHE 23 22.466 -0.644 -2.308 1.00 0.00 ATOM 182 N PRO 24 23.310 -0.089 -0.926 1.00 0.00 ATOM 183 CA PRO 24 23.667 -0.789 0.313 1.00 0.00 ATOM 184 CB PRO 24 24.631 0.182 1.005 1.00 0.00 ATOM 185 CG PRO 24 24.243 1.535 0.451 1.00 0.00 ATOM 186 CD PRO 24 23.971 1.226 -1.005 1.00 0.00 ATOM 187 O PRO 24 22.524 -2.159 1.925 1.00 0.00 ATOM 188 C PRO 24 22.491 -1.148 1.223 1.00 0.00 ATOM 189 N LEU 25 21.450 -0.322 1.207 1.00 0.00 ATOM 190 CA LEU 25 20.293 -0.577 2.051 1.00 0.00 ATOM 191 CB LEU 25 20.151 -2.090 2.267 1.00 0.00 ATOM 192 CG LEU 25 19.826 -2.888 0.996 1.00 0.00 ATOM 193 CD1 LEU 25 20.388 -4.277 1.053 1.00 0.00 ATOM 194 CD2 LEU 25 18.310 -2.945 0.758 1.00 0.00 ATOM 195 O LEU 25 21.671 0.063 3.895 1.00 0.00 ATOM 196 C LEU 25 20.532 -0.183 3.498 1.00 0.00 ATOM 197 N GLN 26 19.471 -0.197 4.302 1.00 0.00 ATOM 198 CA GLN 26 19.546 0.167 5.720 1.00 0.00 ATOM 199 CB GLN 26 19.210 1.634 5.902 1.00 0.00 ATOM 200 CG GLN 26 20.314 2.588 5.396 1.00 0.00 ATOM 201 CD GLN 26 21.663 2.431 6.065 1.00 0.00 ATOM 202 OE1 GLN 26 22.692 2.460 5.389 1.00 0.00 ATOM 203 NE2 GLN 26 21.676 2.306 7.392 1.00 0.00 ATOM 204 O GLN 26 17.413 -0.940 5.767 1.00 0.00 ATOM 205 C GLN 26 18.318 -0.413 6.419 1.00 0.00 ATOM 206 N TYR 27 18.303 -0.122 7.784 1.00 0.00 ATOM 207 CA TYR 27 17.211 -0.630 8.605 1.00 0.00 ATOM 208 CB TYR 27 17.699 -1.048 9.993 1.00 0.00 ATOM 209 CG TYR 27 18.513 -2.321 9.999 1.00 0.00 ATOM 210 CD1 TYR 27 19.900 -2.278 9.934 1.00 0.00 ATOM 211 CD2 TYR 27 17.892 -3.562 10.072 1.00 0.00 ATOM 212 CE1 TYR 27 20.653 -3.438 9.938 1.00 0.00 ATOM 213 CE2 TYR 27 18.628 -4.732 10.078 1.00 0.00 ATOM 214 CZ TYR 27 20.020 -4.660 10.010 1.00 0.00 ATOM 215 OH TYR 27 20.766 -5.816 10.015 1.00 0.00 ATOM 216 O TYR 27 16.456 1.566 9.169 1.00 0.00 ATOM 217 C TYR 27 16.146 0.428 8.820 1.00 0.00 ATOM 218 N ASP 28 14.883 0.047 8.602 1.00 0.00 ATOM 219 CA ASP 28 13.774 0.972 8.787 1.00 0.00 ATOM 220 CB ASP 28 12.898 1.004 7.532 1.00 0.00 ATOM 221 CG ASP 28 13.611 1.612 6.340 1.00 0.00 ATOM 222 OD1 ASP 28 14.672 2.240 6.539 1.00 0.00 ATOM 223 OD2 ASP 28 13.108 1.461 5.207 1.00 0.00 ATOM 224 O ASP 28 12.727 -0.627 10.238 1.00 0.00 ATOM 225 C ASP 28 12.898 0.561 9.964 1.00 0.00 ATOM 226 N GLY 29 12.356 1.552 10.658 1.00 0.00 ATOM 227 CA GLY 29 11.524 1.313 11.822 1.00 0.00 ATOM 228 O GLY 29 9.880 2.852 11.015 1.00 0.00 ATOM 229 C GLY 29 10.104 1.721 11.473 1.00 0.00 ATOM 230 N SER 30 9.156 0.800 11.671 1.00 0.00 ATOM 231 CA SER 30 7.766 1.071 11.340 1.00 0.00 ATOM 232 CB SER 30 7.298 0.158 10.205 1.00 0.00 ATOM 233 OG SER 30 5.942 0.405 9.878 1.00 0.00 ATOM 234 O SER 30 6.862 -0.164 13.179 1.00 0.00 ATOM 235 C SER 30 6.789 0.844 12.480 1.00 0.00 ATOM 236 N LYS 31 5.866 1.899 12.801 1.00 0.00 ATOM 237 CA LYS 31 4.849 1.821 13.837 1.00 0.00 ATOM 238 CB LYS 31 4.913 2.968 14.848 1.00 0.00 ATOM 239 CG LYS 31 6.154 2.952 15.726 1.00 0.00 ATOM 240 CD LYS 31 6.144 4.105 16.715 1.00 0.00 ATOM 241 CE LYS 31 7.395 4.103 17.579 1.00 0.00 ATOM 242 NZ LYS 31 7.421 5.255 18.523 1.00 0.00 ATOM 243 O LYS 31 3.431 2.748 12.134 1.00 0.00 ATOM 244 C LYS 31 3.565 1.894 13.019 1.00 0.00 ATOM 245 N CYS 32 2.640 0.988 13.300 1.00 0.00 ATOM 246 CA CYS 32 1.371 0.949 12.602 1.00 0.00 ATOM 247 CB CYS 32 1.359 -0.226 11.624 1.00 0.00 ATOM 248 SG CYS 32 -0.156 -0.375 10.651 1.00 0.00 ATOM 249 O CYS 32 0.268 -0.078 14.459 1.00 0.00 ATOM 250 C CYS 32 0.216 0.776 13.576 1.00 0.00 ATOM 251 N GLN 33 -0.755 1.709 13.517 1.00 0.00 ATOM 252 CA GLN 33 -1.942 1.596 14.345 1.00 0.00 ATOM 253 CB GLN 33 -2.129 2.859 15.189 1.00 0.00 ATOM 254 CG GLN 33 -3.336 2.816 16.112 1.00 0.00 ATOM 255 CD GLN 33 -3.471 4.071 16.951 1.00 0.00 ATOM 256 OE1 GLN 33 -2.771 5.058 16.728 1.00 0.00 ATOM 257 NE2 GLN 33 -4.377 4.036 17.922 1.00 0.00 ATOM 258 O GLN 33 -3.314 2.271 12.520 1.00 0.00 ATOM 259 C GLN 33 -3.085 1.414 13.365 1.00 0.00 ATOM 260 N LEU 34 -3.771 0.283 13.419 1.00 0.00 ATOM 261 CA LEU 34 -4.878 0.079 12.494 1.00 0.00 ATOM 262 CB LEU 34 -4.736 -1.266 11.777 1.00 0.00 ATOM 263 CG LEU 34 -3.469 -1.459 10.942 1.00 0.00 ATOM 264 CD1 LEU 34 -3.425 -2.857 10.348 1.00 0.00 ATOM 265 CD2 LEU 34 -3.419 -0.455 9.800 1.00 0.00 ATOM 266 O LEU 34 -6.461 -0.769 14.108 1.00 0.00 ATOM 267 C LEU 34 -6.203 0.092 13.256 1.00 0.00 ATOM 268 N VAL 35 -7.039 1.067 12.919 1.00 0.00 ATOM 269 CA VAL 35 -8.348 1.244 13.526 1.00 0.00 ATOM 270 CB VAL 35 -8.908 2.653 13.255 1.00 0.00 ATOM 271 CG1 VAL 35 -10.314 2.785 13.822 1.00 0.00 ATOM 272 CG2 VAL 35 -8.028 3.709 13.905 1.00 0.00 ATOM 273 O VAL 35 -9.725 0.264 11.811 1.00 0.00 ATOM 274 C VAL 35 -9.389 0.259 12.992 1.00 0.00 ATOM 275 N GLN 36 -10.072 -0.573 13.876 1.00 0.00 ATOM 276 CA GLN 36 -11.035 -1.609 13.507 1.00 0.00 ATOM 277 CB GLN 36 -10.332 -2.656 12.632 1.00 0.00 ATOM 278 CG GLN 36 -11.126 -3.816 12.079 1.00 0.00 ATOM 279 CD GLN 36 -11.044 -5.083 12.900 1.00 0.00 ATOM 280 OE1 GLN 36 -10.196 -5.236 13.776 1.00 0.00 ATOM 281 NE2 GLN 36 -11.961 -6.017 12.633 1.00 0.00 ATOM 282 O GLN 36 -11.059 -2.513 15.741 1.00 0.00 ATOM 283 C GLN 36 -11.728 -2.165 14.762 1.00 0.00 ATOM 284 N ASP 37 -13.046 -2.261 14.766 1.00 0.00 ATOM 285 CA ASP 37 -13.785 -2.756 15.906 1.00 0.00 ATOM 286 CB ASP 37 -15.275 -2.444 15.756 1.00 0.00 ATOM 287 CG ASP 37 -16.079 -2.834 16.981 1.00 0.00 ATOM 288 OD1 ASP 37 -15.484 -3.391 17.929 1.00 0.00 ATOM 289 OD2 ASP 37 -17.302 -2.584 16.994 1.00 0.00 ATOM 290 O ASP 37 -13.965 -5.032 15.175 1.00 0.00 ATOM 291 C ASP 37 -13.642 -4.253 16.071 1.00 0.00 ATOM 292 N GLU 38 -13.230 -4.682 17.232 1.00 0.00 ATOM 293 CA GLU 38 -13.041 -6.091 17.511 1.00 0.00 ATOM 294 CB GLU 38 -12.424 -6.286 18.898 1.00 0.00 ATOM 295 CG GLU 38 -12.137 -7.736 19.250 1.00 0.00 ATOM 296 CD GLU 38 -11.475 -7.886 20.606 1.00 0.00 ATOM 297 OE1 GLU 38 -11.232 -6.854 21.265 1.00 0.00 ATOM 298 OE2 GLU 38 -11.199 -9.036 21.009 1.00 0.00 ATOM 299 O GLU 38 -14.324 -8.022 17.025 1.00 0.00 ATOM 300 C GLU 38 -14.321 -6.863 17.479 1.00 0.00 ATOM 301 N SER 39 -15.474 -6.264 17.976 1.00 0.00 ATOM 302 CA SER 39 -16.740 -6.969 18.018 1.00 0.00 ATOM 303 CB SER 39 -17.806 -6.081 18.664 1.00 0.00 ATOM 304 OG SER 39 -17.527 -5.869 20.037 1.00 0.00 ATOM 305 O SER 39 -17.493 -8.484 16.294 1.00 0.00 ATOM 306 C SER 39 -17.195 -7.316 16.588 1.00 0.00 ATOM 307 N ILE 40 -17.117 -6.325 15.692 1.00 0.00 ATOM 308 CA ILE 40 -17.506 -6.516 14.303 1.00 0.00 ATOM 309 CB ILE 40 -17.421 -5.199 13.508 1.00 0.00 ATOM 310 CG1 ILE 40 -18.483 -4.212 13.995 1.00 0.00 ATOM 311 CG2 ILE 40 -17.646 -5.457 12.026 1.00 0.00 ATOM 312 CD1 ILE 40 -18.304 -2.808 13.459 1.00 0.00 ATOM 313 O ILE 40 -16.986 -8.454 12.948 1.00 0.00 ATOM 314 C ILE 40 -16.557 -7.540 13.681 1.00 0.00 ATOM 315 N GLU 41 -15.261 -7.433 13.974 1.00 0.00 ATOM 316 CA GLU 41 -14.333 -8.400 13.414 1.00 0.00 ATOM 317 CB GLU 41 -12.974 -8.292 14.393 1.00 0.00 ATOM 318 CG GLU 41 -11.690 -8.966 13.903 1.00 0.00 ATOM 319 CD GLU 41 -10.622 -9.070 14.989 1.00 0.00 ATOM 320 OE1 GLU 41 -10.988 -9.319 16.168 1.00 0.00 ATOM 321 OE2 GLU 41 -9.419 -8.920 14.668 1.00 0.00 ATOM 322 O GLU 41 -14.457 -10.768 13.080 1.00 0.00 ATOM 323 C GLU 41 -14.588 -9.819 13.861 1.00 0.00 ATOM 324 N PHE 42 -14.893 -9.996 15.144 1.00 0.00 ATOM 325 CA PHE 42 -15.157 -11.344 15.637 1.00 0.00 ATOM 326 CB PHE 42 -15.221 -11.352 17.166 1.00 0.00 ATOM 327 CG PHE 42 -15.331 -12.727 17.760 1.00 0.00 ATOM 328 CD1 PHE 42 -14.243 -13.581 17.774 1.00 0.00 ATOM 329 CD2 PHE 42 -16.525 -13.166 18.307 1.00 0.00 ATOM 330 CE1 PHE 42 -14.344 -14.845 18.321 1.00 0.00 ATOM 331 CE2 PHE 42 -16.626 -14.432 18.854 1.00 0.00 ATOM 332 CZ PHE 42 -15.543 -15.270 18.863 1.00 0.00 ATOM 333 O PHE 42 -16.584 -13.101 14.901 1.00 0.00 ATOM 334 C PHE 42 -16.477 -11.903 15.123 1.00 0.00 ATOM 335 N ASN 43 -17.453 -11.026 14.926 1.00 0.00 ATOM 336 CA ASN 43 -18.748 -11.454 14.421 1.00 0.00 ATOM 337 CB ASN 43 -19.717 -10.273 14.360 1.00 0.00 ATOM 338 CG ASN 43 -21.144 -10.703 14.080 1.00 0.00 ATOM 339 ND2 ASN 43 -21.939 -9.791 13.531 1.00 0.00 ATOM 340 OD1 ASN 43 -21.523 -11.841 14.355 1.00 0.00 ATOM 341 O ASN 43 -18.787 -13.182 12.767 1.00 0.00 ATOM 342 C ASN 43 -18.502 -12.018 13.018 1.00 0.00 ATOM 343 N PRO 44 -17.979 -11.228 11.969 1.00 0.00 ATOM 344 CA PRO 44 -17.755 -11.785 10.626 1.00 0.00 ATOM 345 CB PRO 44 -17.746 -10.558 9.712 1.00 0.00 ATOM 346 CG PRO 44 -18.574 -9.549 10.433 1.00 0.00 ATOM 347 CD PRO 44 -18.278 -9.733 11.896 1.00 0.00 ATOM 348 O PRO 44 -16.337 -13.414 9.569 1.00 0.00 ATOM 349 C PRO 44 -16.443 -12.566 10.459 1.00 0.00 ATOM 350 N GLU 45 -15.448 -12.246 11.288 1.00 0.00 ATOM 351 CA GLU 45 -14.117 -12.865 11.242 1.00 0.00 ATOM 352 CB GLU 45 -14.224 -14.380 11.429 1.00 0.00 ATOM 353 CG GLU 45 -14.837 -14.801 12.755 1.00 0.00 ATOM 354 CD GLU 45 -14.996 -16.303 12.872 1.00 0.00 ATOM 355 OE1 GLU 45 -14.475 -17.026 11.998 1.00 0.00 ATOM 356 OE2 GLU 45 -15.643 -16.759 13.840 1.00 0.00 ATOM 357 O GLU 45 -12.703 -13.388 9.384 1.00 0.00 ATOM 358 C GLU 45 -13.466 -12.580 9.897 1.00 0.00 ATOM 359 N PHE 46 -13.688 -11.170 9.294 1.00 0.00 ATOM 360 CA PHE 46 -13.198 -10.876 7.952 1.00 0.00 ATOM 361 CB PHE 46 -13.758 -9.542 7.457 1.00 0.00 ATOM 362 CG PHE 46 -13.293 -9.163 6.080 1.00 0.00 ATOM 363 CD1 PHE 46 -13.868 -9.734 4.958 1.00 0.00 ATOM 364 CD2 PHE 46 -12.281 -8.235 5.907 1.00 0.00 ATOM 365 CE1 PHE 46 -13.440 -9.384 3.691 1.00 0.00 ATOM 366 CE2 PHE 46 -11.852 -7.886 4.639 1.00 0.00 ATOM 367 CZ PHE 46 -12.429 -8.457 3.534 1.00 0.00 ATOM 368 O PHE 46 -11.066 -11.370 7.023 1.00 0.00 ATOM 369 C PHE 46 -11.679 -10.819 7.920 1.00 0.00 ATOM 370 N LEU 47 -11.100 -10.175 8.892 1.00 0.00 ATOM 371 CA LEU 47 -9.658 -9.991 8.905 1.00 0.00 ATOM 372 CB LEU 47 -9.238 -9.109 10.069 1.00 0.00 ATOM 373 CG LEU 47 -9.655 -7.642 9.933 1.00 0.00 ATOM 374 CD1 LEU 47 -9.409 -6.906 11.240 1.00 0.00 ATOM 375 CD2 LEU 47 -8.864 -6.998 8.798 1.00 0.00 ATOM 376 O LEU 47 -7.866 -11.499 8.473 1.00 0.00 ATOM 377 C LEU 47 -8.931 -11.321 9.056 1.00 0.00 ATOM 378 N LEU 48 -9.518 -12.232 9.833 1.00 0.00 ATOM 379 CA LEU 48 -8.993 -13.577 9.985 1.00 0.00 ATOM 380 CB LEU 48 -9.840 -14.373 10.980 1.00 0.00 ATOM 381 CG LEU 48 -9.392 -15.810 11.253 1.00 0.00 ATOM 382 CD1 LEU 48 -7.993 -15.834 11.850 1.00 0.00 ATOM 383 CD2 LEU 48 -10.337 -16.491 12.231 1.00 0.00 ATOM 384 O LEU 48 -8.061 -14.975 8.259 1.00 0.00 ATOM 385 C LEU 48 -9.003 -14.281 8.640 1.00 0.00 ATOM 386 N ASN 49 -10.049 -14.129 7.862 1.00 0.00 ATOM 387 CA ASN 49 -10.090 -14.674 6.516 1.00 0.00 ATOM 388 CB ASN 49 -11.455 -14.417 5.874 1.00 0.00 ATOM 389 CG ASN 49 -12.550 -15.281 6.467 1.00 0.00 ATOM 390 ND2 ASN 49 -13.798 -14.868 6.275 1.00 0.00 ATOM 391 OD1 ASN 49 -12.277 -16.306 7.090 1.00 0.00 ATOM 392 O ASN 49 -8.310 -14.750 4.863 1.00 0.00 ATOM 393 C ASN 49 -9.023 -14.058 5.604 1.00 0.00 ATOM 394 N ILE 50 -8.904 -12.732 5.641 1.00 0.00 ATOM 395 CA ILE 50 -7.921 -12.017 4.819 1.00 0.00 ATOM 396 CB ILE 50 -7.871 -10.519 5.174 1.00 0.00 ATOM 397 CG1 ILE 50 -9.199 -9.843 4.826 1.00 0.00 ATOM 398 CG2 ILE 50 -6.760 -9.824 4.401 1.00 0.00 ATOM 399 CD1 ILE 50 -9.513 -9.841 3.346 1.00 0.00 ATOM 400 O ILE 50 -5.728 -12.618 4.032 1.00 0.00 ATOM 401 C ILE 50 -6.504 -12.559 4.993 1.00 0.00 ATOM 402 N VAL 51 -6.232 -13.007 6.301 1.00 0.00 ATOM 403 CA VAL 51 -4.880 -13.502 6.660 1.00 0.00 ATOM 404 CB VAL 51 -4.154 -12.528 7.605 1.00 0.00 ATOM 405 CG1 VAL 51 -3.947 -11.182 6.926 1.00 0.00 ATOM 406 CG2 VAL 51 -4.967 -12.308 8.872 1.00 0.00 ATOM 407 O VAL 51 -6.004 -15.133 7.952 1.00 0.00 ATOM 408 C VAL 51 -4.972 -14.831 7.351 1.00 0.00 ATOM 409 N ASP 52 -3.902 -15.582 7.394 1.00 0.00 ATOM 410 CA ASP 52 -3.905 -16.872 8.052 1.00 0.00 ATOM 411 CB ASP 52 -2.602 -17.622 7.768 1.00 0.00 ATOM 412 CG ASP 52 -2.528 -18.143 6.346 1.00 0.00 ATOM 413 OD1 ASP 52 -3.570 -18.141 5.658 1.00 0.00 ATOM 414 OD2 ASP 52 -1.428 -18.549 5.919 1.00 0.00 ATOM 415 O ASP 52 -4.814 -17.453 10.183 1.00 0.00 ATOM 416 C ASP 52 -4.027 -16.731 9.560 1.00 0.00 ATOM 417 N ARG 53 -3.244 -15.781 10.141 1.00 0.00 ATOM 418 CA ARG 53 -3.393 -15.474 11.562 1.00 0.00 ATOM 419 CB ARG 53 -2.145 -16.114 12.183 1.00 0.00 ATOM 420 CG ARG 53 -2.003 -15.903 13.651 1.00 0.00 ATOM 421 CD ARG 53 -0.567 -16.455 14.057 1.00 0.00 ATOM 422 NE ARG 53 -0.257 -16.303 15.480 1.00 0.00 ATOM 423 CZ ARG 53 -0.905 -16.915 16.463 1.00 0.00 ATOM 424 NH1 ARG 53 -1.929 -17.708 16.192 1.00 0.00 ATOM 425 NH2 ARG 53 -0.525 -16.747 17.739 1.00 0.00 ATOM 426 O ARG 53 -2.622 -13.208 11.380 1.00 0.00 ATOM 427 C ARG 53 -3.503 -13.969 11.776 1.00 0.00 ATOM 428 N VAL 54 -4.567 -13.554 12.411 1.00 0.00 ATOM 429 CA VAL 54 -4.817 -12.142 12.664 1.00 0.00 ATOM 430 CB VAL 54 -6.016 -11.689 11.877 1.00 0.00 ATOM 431 CG1 VAL 54 -6.454 -10.355 12.382 1.00 0.00 ATOM 432 CG2 VAL 54 -5.643 -11.691 10.311 1.00 0.00 ATOM 433 O VAL 54 -6.074 -12.618 14.736 1.00 0.00 ATOM 434 C VAL 54 -5.103 -11.971 14.198 1.00 0.00 ATOM 435 N ASP 55 -4.375 -11.060 14.833 1.00 0.00 ATOM 436 CA ASP 55 -4.592 -10.787 16.237 1.00 0.00 ATOM 437 CB ASP 55 -3.261 -10.772 16.993 1.00 0.00 ATOM 438 CG ASP 55 -2.651 -12.153 17.124 1.00 0.00 ATOM 439 OD1 ASP 55 -3.350 -13.143 16.822 1.00 0.00 ATOM 440 OD2 ASP 55 -1.472 -12.246 17.528 1.00 0.00 ATOM 441 O ASP 55 -4.851 -8.470 15.651 1.00 0.00 ATOM 442 C ASP 55 -5.267 -9.416 16.317 1.00 0.00 ATOM 443 N TRP 56 -2.851 -9.126 14.356 1.00 0.00 ATOM 444 CA TRP 56 -1.862 -8.069 14.159 1.00 0.00 ATOM 445 CB TRP 56 -2.057 -7.320 15.850 1.00 0.00 ATOM 446 CG TRP 56 -1.078 -8.075 16.696 1.00 0.00 ATOM 447 CD1 TRP 56 -1.376 -9.130 17.500 1.00 0.00 ATOM 448 CD2 TRP 56 0.351 -7.857 16.845 1.00 0.00 ATOM 449 CE2 TRP 56 0.836 -8.831 17.765 1.00 0.00 ATOM 450 CE3 TRP 56 1.264 -6.964 16.259 1.00 0.00 ATOM 451 NE1 TRP 56 -0.243 -9.589 18.137 1.00 0.00 ATOM 452 CZ2 TRP 56 2.216 -8.920 18.105 1.00 0.00 ATOM 453 CZ3 TRP 56 2.634 -7.041 16.577 1.00 0.00 ATOM 454 CH2 TRP 56 3.064 -8.018 17.497 1.00 0.00 ATOM 455 O TRP 56 0.268 -7.928 13.083 1.00 0.00 ATOM 456 C TRP 56 -0.573 -8.650 13.599 1.00 0.00 ATOM 457 N PRO 57 -0.405 -9.961 13.715 1.00 0.00 ATOM 458 CA PRO 57 0.786 -10.592 13.183 1.00 0.00 ATOM 459 CB PRO 57 0.706 -12.027 13.707 1.00 0.00 ATOM 460 CG PRO 57 -0.739 -12.233 14.017 1.00 0.00 ATOM 461 CD PRO 57 -1.269 -10.890 14.437 1.00 0.00 ATOM 462 O PRO 57 1.768 -10.307 11.016 1.00 0.00 ATOM 463 C PRO 57 0.738 -10.506 11.661 1.00 0.00 ATOM 464 N ALA 58 -0.453 -10.642 11.085 1.00 0.00 ATOM 465 CA ALA 58 -0.568 -10.550 9.626 1.00 0.00 ATOM 466 CB ALA 58 -1.962 -10.959 9.179 1.00 0.00 ATOM 467 O ALA 58 0.414 -8.875 8.225 1.00 0.00 ATOM 468 C ALA 58 -0.302 -9.112 9.199 1.00 0.00 ATOM 469 N VAL 59 -0.871 -8.151 9.921 1.00 0.00 ATOM 470 CA VAL 59 -0.642 -6.746 9.601 1.00 0.00 ATOM 471 CB VAL 59 -1.414 -5.811 10.533 1.00 0.00 ATOM 472 CG1 VAL 59 -0.936 -4.380 10.356 1.00 0.00 ATOM 473 CG2 VAL 59 -2.902 -5.917 10.230 1.00 0.00 ATOM 474 O VAL 59 1.417 -5.754 8.854 1.00 0.00 ATOM 475 C VAL 59 0.860 -6.459 9.696 1.00 0.00 ATOM 476 N LEU 60 1.531 -7.021 10.711 1.00 0.00 ATOM 477 CA LEU 60 2.972 -6.824 10.874 1.00 0.00 ATOM 478 CB LEU 60 3.447 -7.587 12.112 1.00 0.00 ATOM 479 CG LEU 60 4.954 -7.580 12.375 1.00 0.00 ATOM 480 CD1 LEU 60 5.447 -6.165 12.634 1.00 0.00 ATOM 481 CD2 LEU 60 5.292 -8.432 13.589 1.00 0.00 ATOM 482 O LEU 60 4.601 -6.815 9.091 1.00 0.00 ATOM 483 C LEU 60 3.668 -7.416 9.642 1.00 0.00 ATOM 484 N THR 61 3.207 -8.598 9.227 1.00 0.00 ATOM 485 CA THR 61 3.773 -9.300 8.077 1.00 0.00 ATOM 486 CB THR 61 3.058 -10.642 7.826 1.00 0.00 ATOM 487 CG2 THR 61 3.636 -11.333 6.603 1.00 0.00 ATOM 488 OG1 THR 61 3.226 -11.495 8.967 1.00 0.00 ATOM 489 O THR 61 4.590 -8.420 5.987 1.00 0.00 ATOM 490 C THR 61 3.649 -8.494 6.785 1.00 0.00 ATOM 491 N VAL 62 2.486 -7.879 6.575 1.00 0.00 ATOM 492 CA VAL 62 2.262 -7.066 5.390 1.00 0.00 ATOM 493 CB VAL 62 0.831 -6.496 5.404 1.00 0.00 ATOM 494 CG1 VAL 62 0.636 -5.515 4.257 1.00 0.00 ATOM 495 CG2 VAL 62 -0.188 -7.617 5.255 1.00 0.00 ATOM 496 O VAL 62 3.872 -5.590 4.362 1.00 0.00 ATOM 497 C VAL 62 3.204 -5.882 5.366 1.00 0.00 ATOM 498 N ALA 63 3.270 -5.143 6.475 1.00 0.00 ATOM 499 CA ALA 63 4.134 -3.965 6.554 1.00 0.00 ATOM 500 CB ALA 63 4.040 -3.383 7.957 1.00 0.00 ATOM 501 O ALA 63 6.310 -3.645 5.613 1.00 0.00 ATOM 502 C ALA 63 5.581 -4.356 6.305 1.00 0.00 ATOM 503 N ALA 64 5.996 -5.488 6.863 1.00 0.00 ATOM 504 CA ALA 64 7.368 -5.957 6.680 1.00 0.00 ATOM 505 CB ALA 64 7.590 -7.257 7.436 1.00 0.00 ATOM 506 O ALA 64 8.702 -5.843 4.696 1.00 0.00 ATOM 507 C ALA 64 7.655 -6.231 5.212 1.00 0.00 ATOM 508 N GLU 65 6.715 -6.891 4.554 1.00 0.00 ATOM 509 CA GLU 65 6.886 -7.213 3.142 1.00 0.00 ATOM 510 CB GLU 65 5.634 -7.915 2.614 1.00 0.00 ATOM 511 CG GLU 65 5.711 -8.300 1.145 1.00 0.00 ATOM 512 CD GLU 65 4.471 -9.030 0.669 1.00 0.00 ATOM 513 OE1 GLU 65 3.564 -9.265 1.495 1.00 0.00 ATOM 514 OE2 GLU 65 4.405 -9.368 -0.533 1.00 0.00 ATOM 515 O GLU 65 7.977 -5.901 1.443 1.00 0.00 ATOM 516 C GLU 65 7.084 -5.962 2.295 1.00 0.00 ATOM 517 N LEU 66 6.245 -4.967 2.534 1.00 0.00 ATOM 518 CA LEU 66 6.336 -3.724 1.787 1.00 0.00 ATOM 519 CB LEU 66 5.220 -2.764 2.204 1.00 0.00 ATOM 520 CG LEU 66 3.806 -3.129 1.748 1.00 0.00 ATOM 521 CD1 LEU 66 2.779 -2.204 2.384 1.00 0.00 ATOM 522 CD2 LEU 66 3.683 -3.008 0.236 1.00 0.00 ATOM 523 O LEU 66 8.352 -2.649 1.084 1.00 0.00 ATOM 524 C LEU 66 7.676 -3.042 2.023 1.00 0.00 ATOM 525 N GLY 67 8.028 -2.911 3.246 1.00 0.00 ATOM 526 CA GLY 67 9.272 -2.260 3.605 1.00 0.00 ATOM 527 O GLY 67 11.521 -2.308 2.759 1.00 0.00 ATOM 528 C GLY 67 10.517 -2.968 3.056 1.00 0.00 ATOM 529 N ASN 68 10.436 -4.377 2.961 1.00 0.00 ATOM 530 CA ASN 68 11.563 -5.174 2.470 1.00 0.00 ATOM 531 CB ASN 68 11.617 -6.522 3.188 1.00 0.00 ATOM 532 CG ASN 68 11.985 -6.389 4.652 1.00 0.00 ATOM 533 ND2 ASN 68 11.501 -7.318 5.470 1.00 0.00 ATOM 534 OD1 ASN 68 12.695 -5.463 5.042 1.00 0.00 ATOM 535 O ASN 68 12.299 -6.175 0.417 1.00 0.00 ATOM 536 C ASN 68 11.458 -5.467 0.974 1.00 0.00 ATOM 537 N ASN 69 10.425 -4.912 0.354 1.00 0.00 ATOM 538 CA ASN 69 10.216 -5.125 -1.078 1.00 0.00 ATOM 539 CB ASN 69 8.744 -4.950 -1.455 1.00 0.00 ATOM 540 CG ASN 69 8.393 -5.628 -2.765 1.00 0.00 ATOM 541 ND2 ASN 69 7.428 -6.538 -2.718 1.00 0.00 ATOM 542 OD1 ASN 69 8.985 -5.336 -3.804 1.00 0.00 ATOM 543 O ASN 69 11.926 -3.511 -1.470 1.00 0.00 ATOM 544 C ASN 69 11.009 -4.173 -1.946 1.00 0.00 ATOM 545 N ALA 70 10.666 -4.121 -3.230 1.00 0.00 ATOM 546 CA ALA 70 11.353 -3.260 -4.190 1.00 0.00 ATOM 547 CB ALA 70 10.524 -3.111 -5.456 1.00 0.00 ATOM 548 O ALA 70 10.734 -1.214 -3.068 1.00 0.00 ATOM 549 C ALA 70 11.613 -1.850 -3.642 1.00 0.00 ATOM 550 N LEU 71 12.854 -1.382 -3.752 1.00 0.00 ATOM 551 CA LEU 71 13.216 -0.052 -3.261 1.00 0.00 ATOM 552 CB LEU 71 14.663 0.255 -3.617 1.00 0.00 ATOM 553 CG LEU 71 15.668 -0.808 -3.182 1.00 0.00 ATOM 554 CD1 LEU 71 17.070 -0.413 -3.612 1.00 0.00 ATOM 555 CD2 LEU 71 15.611 -1.032 -1.675 1.00 0.00 ATOM 556 O LEU 71 12.617 1.457 -5.024 1.00 0.00 ATOM 557 C LEU 71 12.553 1.205 -3.818 1.00 0.00 ATOM 558 N PRO 72 11.988 1.997 -2.952 1.00 0.00 ATOM 559 CA PRO 72 11.470 3.309 -3.346 1.00 0.00 ATOM 560 CB PRO 72 10.185 3.465 -2.530 1.00 0.00 ATOM 561 CG PRO 72 10.479 2.784 -1.236 1.00 0.00 ATOM 562 CD PRO 72 11.347 1.605 -1.573 1.00 0.00 ATOM 563 O PRO 72 13.333 4.288 -2.183 1.00 0.00 ATOM 564 C PRO 72 12.451 4.442 -3.033 1.00 0.00 ATOM 565 N PRO 73 12.285 5.583 -3.687 1.00 0.00 ATOM 566 CA PRO 73 13.164 6.719 -3.435 1.00 0.00 ATOM 567 CB PRO 73 12.817 7.710 -4.548 1.00 0.00 ATOM 568 CG PRO 73 12.278 6.860 -5.651 1.00 0.00 ATOM 569 CD PRO 73 11.513 5.751 -4.986 1.00 0.00 ATOM 570 O PRO 73 13.833 7.552 -1.294 1.00 0.00 ATOM 571 C PRO 73 12.901 7.308 -2.063 1.00 0.00 ATOM 572 N THR 74 11.627 7.532 -1.758 1.00 0.00 ATOM 573 CA THR 74 11.254 8.191 -0.510 1.00 0.00 ATOM 574 CB THR 74 10.357 9.417 -0.763 1.00 0.00 ATOM 575 CG2 THR 74 11.068 10.421 -1.658 1.00 0.00 ATOM 576 OG1 THR 74 9.145 9.000 -1.406 1.00 0.00 ATOM 577 O THR 74 9.763 6.437 0.202 1.00 0.00 ATOM 578 C THR 74 10.491 7.383 0.522 1.00 0.00 ATOM 579 N LYS 75 10.645 7.800 1.774 1.00 0.00 ATOM 580 CA LYS 75 9.946 7.173 2.872 1.00 0.00 ATOM 581 CB LYS 75 10.385 7.787 4.204 1.00 0.00 ATOM 582 CG LYS 75 11.801 7.423 4.618 1.00 0.00 ATOM 583 CD LYS 75 12.169 8.061 5.948 1.00 0.00 ATOM 584 CE LYS 75 13.593 7.717 6.349 1.00 0.00 ATOM 585 NZ LYS 75 13.980 8.363 7.635 1.00 0.00 ATOM 586 O LYS 75 7.647 6.537 2.911 1.00 0.00 ATOM 587 C LYS 75 8.462 7.413 2.643 1.00 0.00 ATOM 588 N PRO 76 8.120 8.605 2.157 1.00 0.00 ATOM 589 CA PRO 76 6.717 8.948 1.893 1.00 0.00 ATOM 590 CB PRO 76 6.794 10.289 1.160 1.00 0.00 ATOM 591 CG PRO 76 8.042 10.923 1.674 1.00 0.00 ATOM 592 CD PRO 76 9.049 9.816 1.807 1.00 0.00 ATOM 593 O PRO 76 4.869 7.502 1.374 1.00 0.00 ATOM 594 C PRO 76 5.971 7.943 1.008 1.00 0.00 ATOM 595 N SER 77 6.555 7.399 -0.200 1.00 0.00 ATOM 596 CA SER 77 5.901 6.456 -1.128 1.00 0.00 ATOM 597 CB SER 77 6.828 6.281 -2.332 1.00 0.00 ATOM 598 OG SER 77 6.889 7.468 -3.105 1.00 0.00 ATOM 599 O SER 77 4.645 4.447 -0.708 1.00 0.00 ATOM 600 C SER 77 5.681 5.085 -0.492 1.00 0.00 ATOM 601 N PHE 78 6.666 4.651 0.273 1.00 0.00 ATOM 602 CA PHE 78 6.620 3.369 0.971 1.00 0.00 ATOM 603 CB PHE 78 7.737 3.431 2.208 1.00 0.00 ATOM 604 CG PHE 78 8.441 2.184 2.663 1.00 0.00 ATOM 605 CD1 PHE 78 9.705 1.865 2.177 1.00 0.00 ATOM 606 CD2 PHE 78 7.826 1.308 3.554 1.00 0.00 ATOM 607 CE1 PHE 78 10.347 0.687 2.568 1.00 0.00 ATOM 608 CE2 PHE 78 8.459 0.129 3.948 1.00 0.00 ATOM 609 CZ PHE 78 9.724 -0.179 3.453 1.00 0.00 ATOM 610 O PHE 78 4.668 2.467 2.068 1.00 0.00 ATOM 611 C PHE 78 5.488 3.388 2.006 1.00 0.00 ATOM 612 N PRO 79 5.356 4.546 2.793 1.00 0.00 ATOM 613 CA PRO 79 4.292 4.671 3.788 1.00 0.00 ATOM 614 CB PRO 79 4.621 5.974 4.518 1.00 0.00 ATOM 615 CG PRO 79 6.080 6.179 4.278 1.00 0.00 ATOM 616 CD PRO 79 6.357 5.625 2.908 1.00 0.00 ATOM 617 O PRO 79 1.949 4.162 3.621 1.00 0.00 ATOM 618 C PRO 79 2.926 4.704 3.103 1.00 0.00 ATOM 619 N SER 80 2.878 5.339 1.919 1.00 0.00 ATOM 620 CA SER 80 1.648 5.419 1.151 1.00 0.00 ATOM 621 CB SER 80 1.863 6.261 -0.108 1.00 0.00 ATOM 622 OG SER 80 0.669 6.363 -0.865 1.00 0.00 ATOM 623 O SER 80 0.004 3.692 0.857 1.00 0.00 ATOM 624 C SER 80 1.187 4.021 0.746 1.00 0.00 ATOM 625 N SER 81 2.117 3.197 0.274 1.00 0.00 ATOM 626 CA SER 81 1.783 1.831 -0.135 1.00 0.00 ATOM 627 CB SER 81 2.996 1.150 -0.774 1.00 0.00 ATOM 628 OG SER 81 3.350 1.780 -1.994 1.00 0.00 ATOM 629 O SER 81 0.333 0.271 0.952 1.00 0.00 ATOM 630 C SER 81 1.306 1.001 1.053 1.00 0.00 ATOM 631 N ILE 82 2.027 1.087 2.249 1.00 0.00 ATOM 632 CA ILE 82 1.651 0.317 3.441 1.00 0.00 ATOM 633 CB ILE 82 2.551 0.661 4.642 1.00 0.00 ATOM 634 CG1 ILE 82 3.993 0.227 4.369 1.00 0.00 ATOM 635 CG2 ILE 82 2.062 -0.051 5.895 1.00 0.00 ATOM 636 CD1 ILE 82 4.992 0.765 5.370 1.00 0.00 ATOM 637 O ILE 82 -0.577 -0.358 3.991 1.00 0.00 ATOM 638 C ILE 82 0.200 0.576 3.817 1.00 0.00 ATOM 639 N GLN 83 -0.158 1.853 3.930 1.00 0.00 ATOM 640 CA GLN 83 -1.510 2.235 4.309 1.00 0.00 ATOM 641 CB GLN 83 -1.608 3.752 4.481 1.00 0.00 ATOM 642 CG GLN 83 -0.851 4.290 5.684 1.00 0.00 ATOM 643 CD GLN 83 -0.968 5.797 5.818 1.00 0.00 ATOM 644 OE1 GLN 83 -0.315 6.547 5.094 1.00 0.00 ATOM 645 NE2 GLN 83 -1.804 6.242 6.749 1.00 0.00 ATOM 646 O GLN 83 -3.568 1.212 3.577 1.00 0.00 ATOM 647 C GLN 83 -2.532 1.825 3.261 1.00 0.00 ATOM 648 N GLU 84 -2.245 2.199 2.017 1.00 0.00 ATOM 649 CA GLU 84 -3.120 1.900 0.897 1.00 0.00 ATOM 650 CB GLU 84 -2.515 2.415 -0.410 1.00 0.00 ATOM 651 CG GLU 84 -2.521 3.929 -0.543 1.00 0.00 ATOM 652 CD GLU 84 -1.802 4.407 -1.789 1.00 0.00 ATOM 653 OE1 GLU 84 -1.236 3.559 -2.511 1.00 0.00 ATOM 654 OE2 GLU 84 -1.807 5.630 -2.045 1.00 0.00 ATOM 655 O GLU 84 -4.514 -0.022 0.499 1.00 0.00 ATOM 656 C GLU 84 -3.368 0.404 0.712 1.00 0.00 ATOM 657 N LEU 85 -2.315 -0.397 0.855 1.00 0.00 ATOM 658 CA LEU 85 -2.454 -1.836 0.693 1.00 0.00 ATOM 659 CB LEU 85 -1.078 -2.501 0.607 1.00 0.00 ATOM 660 CG LEU 85 -1.069 -4.017 0.406 1.00 0.00 ATOM 661 CD1 LEU 85 -1.763 -4.392 -0.894 1.00 0.00 ATOM 662 CD2 LEU 85 0.356 -4.544 0.353 1.00 0.00 ATOM 663 O LEU 85 -4.018 -3.389 1.666 1.00 0.00 ATOM 664 C LEU 85 -3.203 -2.481 1.866 1.00 0.00 ATOM 665 N THR 86 -2.946 -1.996 3.071 1.00 0.00 ATOM 666 CA THR 86 -3.596 -2.536 4.259 1.00 0.00 ATOM 667 CB THR 86 -3.059 -1.881 5.545 1.00 0.00 ATOM 668 CG2 THR 86 -3.782 -2.429 6.766 1.00 0.00 ATOM 669 OG1 THR 86 -1.659 -2.154 5.674 1.00 0.00 ATOM 670 O THR 86 -5.910 -3.178 4.405 1.00 0.00 ATOM 671 C THR 86 -5.107 -2.283 4.161 1.00 0.00 ATOM 672 N ASP 87 -5.491 -1.068 3.810 1.00 0.00 ATOM 673 CA ASP 87 -6.906 -0.733 3.670 1.00 0.00 ATOM 674 CB ASP 87 -7.074 0.741 3.295 1.00 0.00 ATOM 675 CG ASP 87 -6.761 1.675 4.446 1.00 0.00 ATOM 676 OD1 ASP 87 -6.645 1.189 5.591 1.00 0.00 ATOM 677 OD2 ASP 87 -6.631 2.894 4.205 1.00 0.00 ATOM 678 O ASP 87 -8.641 -2.119 2.723 1.00 0.00 ATOM 679 C ASP 87 -7.523 -1.594 2.563 1.00 0.00 ATOM 680 N ASP 88 -6.810 -1.766 1.447 1.00 0.00 ATOM 681 CA ASP 88 -7.323 -2.581 0.348 1.00 0.00 ATOM 682 CB ASP 88 -6.398 -2.494 -0.867 1.00 0.00 ATOM 683 CG ASP 88 -6.476 -1.149 -1.564 1.00 0.00 ATOM 684 OD1 ASP 88 -7.412 -0.378 -1.263 1.00 0.00 ATOM 685 OD2 ASP 88 -5.602 -0.866 -2.408 1.00 0.00 ATOM 686 O ASP 88 -8.438 -4.692 0.213 1.00 0.00 ATOM 687 C ASP 88 -7.492 -4.070 0.668 1.00 0.00 ATOM 688 N ASP 89 -6.575 -4.651 1.433 1.00 0.00 ATOM 689 CA ASP 89 -6.681 -6.071 1.740 1.00 0.00 ATOM 690 CB ASP 89 -5.308 -6.636 2.108 1.00 0.00 ATOM 691 CG ASP 89 -4.382 -6.742 0.911 1.00 0.00 ATOM 692 OD1 ASP 89 -4.874 -6.634 -0.232 1.00 0.00 ATOM 693 OD2 ASP 89 -3.165 -6.934 1.117 1.00 0.00 ATOM 694 O ASP 89 -8.179 -7.468 2.978 1.00 0.00 ATOM 695 C ASP 89 -7.618 -6.379 2.905 1.00 0.00 ATOM 696 N MET 90 -7.784 -5.432 3.820 1.00 0.00 ATOM 697 CA MET 90 -8.649 -5.642 4.987 1.00 0.00 ATOM 698 CB MET 90 -7.843 -5.513 6.281 1.00 0.00 ATOM 699 CG MET 90 -6.757 -6.565 6.442 1.00 0.00 ATOM 700 SD MET 90 -5.854 -6.400 7.994 1.00 0.00 ATOM 701 CE MET 90 -4.657 -7.723 7.832 1.00 0.00 ATOM 702 O MET 90 -9.588 -3.507 5.527 1.00 0.00 ATOM 703 C MET 90 -9.771 -4.613 5.020 1.00 0.00 ATOM 704 N ALA 91 -10.935 -4.983 4.503 1.00 0.00 ATOM 705 CA ALA 91 -12.052 -4.047 4.461 1.00 0.00 ATOM 706 CB ALA 91 -13.254 -4.685 3.783 1.00 0.00 ATOM 707 O ALA 91 -13.150 -2.526 5.949 1.00 0.00 ATOM 708 C ALA 91 -12.527 -3.577 5.840 1.00 0.00 ATOM 709 N ILE 92 -12.193 -4.392 6.924 1.00 0.00 ATOM 710 CA ILE 92 -12.621 -3.993 8.263 1.00 0.00 ATOM 711 CB ILE 92 -12.390 -5.117 9.288 1.00 0.00 ATOM 712 CG1 ILE 92 -13.326 -6.295 9.008 1.00 0.00 ATOM 713 CG2 ILE 92 -12.657 -4.616 10.699 1.00 0.00 ATOM 714 CD1 ILE 92 -12.994 -7.541 9.797 1.00 0.00 ATOM 715 O ILE 92 -12.426 -2.040 9.614 1.00 0.00 ATOM 716 C ILE 92 -11.884 -2.769 8.796 1.00 0.00 ATOM 717 N LEU 93 -10.643 -2.557 8.365 1.00 0.00 ATOM 718 CA LEU 93 -9.893 -1.396 8.836 1.00 0.00 ATOM 719 CB LEU 93 -8.435 -1.479 8.380 1.00 0.00 ATOM 720 CG LEU 93 -7.602 -2.614 8.977 1.00 0.00 ATOM 721 CD1 LEU 93 -6.218 -2.657 8.345 1.00 0.00 ATOM 722 CD2 LEU 93 -7.433 -2.428 10.477 1.00 0.00 ATOM 723 O LEU 93 -10.756 -0.036 7.054 1.00 0.00 ATOM 724 C LEU 93 -10.534 -0.129 8.258 1.00 0.00 ATOM 725 N ASN 94 -10.809 0.851 9.114 1.00 0.00 ATOM 726 CA ASN 94 -11.428 2.100 8.672 1.00 0.00 ATOM 727 CB ASN 94 -12.410 2.612 9.727 1.00 0.00 ATOM 728 CG ASN 94 -13.595 1.685 9.919 1.00 0.00 ATOM 729 ND2 ASN 94 -14.169 1.702 11.116 1.00 0.00 ATOM 730 OD1 ASN 94 -13.986 0.963 9.002 1.00 0.00 ATOM 731 O ASN 94 -10.606 4.117 7.667 1.00 0.00 ATOM 732 C ASN 94 -10.387 3.174 8.439 1.00 0.00 ATOM 733 N ASP 95 -9.091 2.908 9.465 1.00 0.00 ATOM 734 CA ASP 95 -8.052 3.927 9.386 1.00 0.00 ATOM 735 CB ASP 95 -8.375 5.127 10.283 1.00 0.00 ATOM 736 CG ASP 95 -9.673 5.798 9.921 1.00 0.00 ATOM 737 OD1 ASP 95 -9.839 6.190 8.742 1.00 0.00 ATOM 738 OD2 ASP 95 -10.511 5.932 10.833 1.00 0.00 ATOM 739 O ASP 95 -6.649 2.371 10.547 1.00 0.00 ATOM 740 C ASP 95 -6.716 3.350 9.797 1.00 0.00 ATOM 741 N LEU 96 -5.650 3.966 9.309 1.00 0.00 ATOM 742 CA LEU 96 -4.313 3.495 9.606 1.00 0.00 ATOM 743 CB LEU 96 -3.755 2.647 8.461 1.00 0.00 ATOM 744 CG LEU 96 -2.313 2.161 8.619 1.00 0.00 ATOM 745 CD1 LEU 96 -2.211 1.135 9.738 1.00 0.00 ATOM 746 CD2 LEU 96 -1.821 1.512 7.333 1.00 0.00 ATOM 747 O LEU 96 -3.399 5.631 9.055 1.00 0.00 ATOM 748 C LEU 96 -3.375 4.665 9.816 1.00 0.00 ATOM 749 N HIS 97 -2.575 4.577 10.870 1.00 0.00 ATOM 750 CA HIS 97 -1.580 5.588 11.156 1.00 0.00 ATOM 751 CB HIS 97 -1.735 5.907 12.653 1.00 0.00 ATOM 752 CG HIS 97 -0.634 6.711 13.273 1.00 0.00 ATOM 753 CD2 HIS 97 0.216 6.451 14.300 1.00 0.00 ATOM 754 ND1 HIS 97 -0.368 7.996 12.861 1.00 0.00 ATOM 755 CE1 HIS 97 0.619 8.488 13.612 1.00 0.00 ATOM 756 NE2 HIS 97 1.014 7.589 14.469 1.00 0.00 ATOM 757 O HIS 97 -0.003 3.801 11.570 1.00 0.00 ATOM 758 C HIS 97 -0.244 4.860 10.974 1.00 0.00 ATOM 759 N THR 98 0.603 5.412 10.113 1.00 0.00 ATOM 760 CA THR 98 1.891 4.801 9.832 1.00 0.00 ATOM 761 CB THR 98 2.035 4.437 8.343 1.00 0.00 ATOM 762 CG2 THR 98 3.393 3.808 8.076 1.00 0.00 ATOM 763 OG1 THR 98 1.011 3.505 7.974 1.00 0.00 ATOM 764 O THR 98 3.075 6.888 9.694 1.00 0.00 ATOM 765 C THR 98 3.023 5.752 10.190 1.00 0.00 ATOM 766 N LEU 99 4.039 5.255 11.022 1.00 0.00 ATOM 767 CA LEU 99 5.255 5.991 11.354 1.00 0.00 ATOM 768 CB LEU 99 5.423 6.093 12.871 1.00 0.00 ATOM 769 CG LEU 99 6.691 6.789 13.368 1.00 0.00 ATOM 770 CD1 LEU 99 6.701 8.252 12.947 1.00 0.00 ATOM 771 CD2 LEU 99 6.779 6.731 14.884 1.00 0.00 ATOM 772 O LEU 99 6.598 4.026 11.124 1.00 0.00 ATOM 773 C LEU 99 6.374 5.164 10.725 1.00 0.00 ATOM 774 N LEU 100 7.062 5.748 9.747 1.00 0.00 ATOM 775 CA LEU 100 8.137 5.080 9.034 1.00 0.00 ATOM 776 CB LEU 100 7.780 4.960 7.552 1.00 0.00 ATOM 777 CG LEU 100 8.842 4.326 6.649 1.00 0.00 ATOM 778 CD1 LEU 100 9.041 2.860 7.001 1.00 0.00 ATOM 779 CD2 LEU 100 8.426 4.411 5.189 1.00 0.00 ATOM 780 O LEU 100 9.390 7.088 8.835 1.00 0.00 ATOM 781 C LEU 100 9.385 5.917 9.196 1.00 0.00 ATOM 782 N LEU 101 10.451 5.321 9.712 1.00 0.00 ATOM 783 CA LEU 101 11.667 6.083 9.931 1.00 0.00 ATOM 784 CB LEU 101 11.751 6.488 11.430 1.00 0.00 ATOM 785 CG LEU 101 10.580 7.277 12.028 1.00 0.00 ATOM 786 CD1 LEU 101 10.981 7.727 13.449 1.00 0.00 ATOM 787 CD2 LEU 101 10.226 8.491 11.160 1.00 0.00 ATOM 788 O LEU 101 12.896 4.080 9.478 1.00 0.00 ATOM 789 C LEU 101 12.924 5.312 9.615 1.00 0.00 ATOM 790 N GLN 102 13.997 6.081 9.426 1.00 0.00 ATOM 791 CA GLN 102 15.348 5.582 9.185 1.00 0.00 ATOM 792 CB GLN 102 15.942 6.309 7.977 1.00 0.00 ATOM 793 CG GLN 102 17.305 5.789 7.548 1.00 0.00 ATOM 794 CD GLN 102 17.826 6.481 6.304 1.00 0.00 ATOM 795 OE1 GLN 102 17.195 7.398 5.780 1.00 0.00 ATOM 796 NE2 GLN 102 18.985 6.043 5.826 1.00 0.00 ATOM 797 O GLN 102 16.311 7.019 10.836 1.00 0.00 ATOM 798 C GLN 102 16.151 5.855 10.472 1.00 0.00 ATOM 799 N THR 103 16.679 4.824 11.065 1.00 0.00 ATOM 800 CA THR 103 17.477 5.041 12.281 1.00 0.00 ATOM 801 CB THR 103 17.483 3.793 13.181 1.00 0.00 ATOM 802 CG2 THR 103 16.063 3.410 13.573 1.00 0.00 ATOM 803 OG1 THR 103 18.082 2.696 12.481 1.00 0.00 ATOM 804 O THR 103 19.676 5.937 12.630 1.00 0.00 ATOM 805 C THR 103 18.909 5.360 11.861 1.00 0.00 ATOM 806 N SER 104 19.271 5.014 10.560 1.00 0.00 ATOM 807 CA SER 104 20.609 5.269 10.045 1.00 0.00 ATOM 808 CB SER 104 21.334 3.952 9.764 1.00 0.00 ATOM 809 OG SER 104 22.621 4.185 9.217 1.00 0.00 ATOM 810 O SER 104 20.426 5.502 7.669 1.00 0.00 ATOM 811 C SER 104 20.545 6.064 8.752 1.00 0.00 ATOM 812 N ILE 105 20.620 7.380 8.871 1.00 0.00 ATOM 813 CA ILE 105 20.569 8.241 7.704 1.00 0.00 ATOM 814 CB ILE 105 19.968 9.616 8.051 1.00 0.00 ATOM 815 CG1 ILE 105 18.537 9.457 8.567 1.00 0.00 ATOM 816 CG2 ILE 105 19.940 10.510 6.822 1.00 0.00 ATOM 817 CD1 ILE 105 17.949 10.728 9.142 1.00 0.00 ATOM 818 O ILE 105 22.871 8.898 7.875 1.00 0.00 ATOM 819 C ILE 105 21.980 8.447 7.157 1.00 0.00 ATOM 820 N ALA 106 22.173 8.098 5.887 1.00 0.00 ATOM 821 CA ALA 106 23.471 8.220 5.224 1.00 0.00 ATOM 822 CB ALA 106 23.354 7.838 3.757 1.00 0.00 ATOM 823 O ALA 106 23.276 10.566 5.691 1.00 0.00 ATOM 824 C ALA 106 24.032 9.619 5.483 1.00 0.00 ATOM 825 N GLU 107 25.360 9.720 5.451 1.00 0.00 ATOM 826 CA GLU 107 26.094 10.970 5.650 1.00 0.00 ATOM 827 CB GLU 107 25.602 11.952 4.585 1.00 0.00 ATOM 828 CG GLU 107 25.854 11.495 3.157 1.00 0.00 ATOM 829 CD GLU 107 25.323 12.475 2.130 1.00 0.00 ATOM 830 OE1 GLU 107 24.729 13.497 2.535 1.00 0.00 ATOM 831 OE2 GLU 107 25.501 12.223 0.919 1.00 0.00 ATOM 832 O GLU 107 27.000 12.535 7.299 1.00 0.00 ATOM 833 C GLU 107 26.040 11.759 6.944 1.00 0.00 ATOM 834 N GLY 108 24.847 11.585 7.689 1.00 0.00 ATOM 835 CA GLY 108 24.708 12.210 8.982 1.00 0.00 ATOM 836 O GLY 108 25.447 10.404 10.388 1.00 0.00 ATOM 837 C GLY 108 25.610 11.576 10.038 1.00 0.00 ATOM 838 N GLU 109 26.560 12.344 10.548 1.00 0.00 ATOM 839 CA GLU 109 27.488 11.805 11.532 1.00 0.00 ATOM 840 CB GLU 109 28.933 12.083 11.112 1.00 0.00 ATOM 841 CG GLU 109 29.372 11.335 9.864 1.00 0.00 ATOM 842 CD GLU 109 30.814 11.619 9.490 1.00 0.00 ATOM 843 OE1 GLU 109 31.476 12.385 10.221 1.00 0.00 ATOM 844 OE2 GLU 109 31.280 11.078 8.466 1.00 0.00 ATOM 845 O GLU 109 27.599 11.412 13.876 1.00 0.00 ATOM 846 C GLU 109 27.116 12.092 12.985 1.00 0.00 ATOM 847 N MET 110 26.369 13.112 13.282 1.00 0.00 ATOM 848 CA MET 110 25.966 13.403 14.665 1.00 0.00 ATOM 849 CB MET 110 25.108 14.663 14.545 1.00 0.00 ATOM 850 CG MET 110 25.750 15.778 13.734 1.00 0.00 ATOM 851 SD MET 110 27.300 16.355 14.453 1.00 0.00 ATOM 852 CE MET 110 26.708 17.139 15.949 1.00 0.00 ATOM 853 O MET 110 23.893 12.378 14.186 1.00 0.00 ATOM 854 C MET 110 24.842 12.466 14.972 1.00 0.00 ATOM 855 N LYS 111 24.739 11.430 16.228 1.00 0.00 ATOM 856 CA LYS 111 23.739 10.459 16.640 1.00 0.00 ATOM 857 CB LYS 111 24.412 10.355 18.010 1.00 0.00 ATOM 858 CG LYS 111 25.770 9.673 17.985 1.00 0.00 ATOM 859 CD LYS 111 26.383 9.613 19.374 1.00 0.00 ATOM 860 CE LYS 111 27.752 8.952 19.345 1.00 0.00 ATOM 861 NZ LYS 111 28.374 8.902 20.698 1.00 0.00 ATOM 862 O LYS 111 22.126 12.104 17.335 1.00 0.00 ATOM 863 C LYS 111 22.319 11.008 16.830 1.00 0.00 ATOM 864 N CYS 112 21.329 10.236 16.409 1.00 0.00 ATOM 865 CA CYS 112 19.927 10.624 16.528 1.00 0.00 ATOM 866 CB CYS 112 19.499 11.464 15.323 1.00 0.00 ATOM 867 SG CYS 112 19.543 10.584 13.744 1.00 0.00 ATOM 868 O CYS 112 19.669 8.291 16.110 1.00 0.00 ATOM 869 C CYS 112 19.164 9.313 16.568 1.00 0.00 ATOM 870 N ARG 113 17.971 9.342 17.168 1.00 0.00 ATOM 871 CA ARG 113 17.186 8.123 17.294 1.00 0.00 ATOM 872 CB ARG 113 15.896 8.194 17.886 1.00 0.00 ATOM 873 CG ARG 113 14.916 9.110 17.134 1.00 0.00 ATOM 874 CD ARG 113 13.764 9.522 18.065 1.00 0.00 ATOM 875 NE ARG 113 12.815 10.347 17.367 1.00 0.00 ATOM 876 CZ ARG 113 13.068 11.625 17.081 1.00 0.00 ATOM 877 NH1 ARG 113 14.167 12.250 17.540 1.00 0.00 ATOM 878 NH2 ARG 113 12.224 12.339 16.319 1.00 0.00 ATOM 879 O ARG 113 17.074 6.610 15.421 1.00 0.00 ATOM 880 C ARG 113 16.773 7.711 15.875 1.00 0.00 ATOM 881 N ASN 114 16.144 8.639 15.159 1.00 0.00 ATOM 882 CA ASN 114 15.707 8.398 13.787 1.00 0.00 ATOM 883 CB ASN 114 14.677 7.267 13.749 1.00 0.00 ATOM 884 CG ASN 114 13.500 7.521 14.671 1.00 0.00 ATOM 885 ND2 ASN 114 13.370 6.695 15.703 1.00 0.00 ATOM 886 OD1 ASN 114 12.719 8.446 14.455 1.00 0.00 ATOM 887 O ASN 114 14.703 10.595 13.873 1.00 0.00 ATOM 888 C ASN 114 15.058 9.639 13.170 1.00 0.00 ATOM 889 N CYS 115 14.988 9.587 11.624 1.00 0.00 ATOM 890 CA CYS 115 14.332 10.669 10.892 1.00 0.00 ATOM 891 CB CYS 115 15.347 11.452 10.056 1.00 0.00 ATOM 892 SG CYS 115 16.721 12.283 10.931 1.00 0.00 ATOM 893 O CYS 115 13.594 8.820 9.557 1.00 0.00 ATOM 894 C CYS 115 13.283 9.869 10.132 1.00 0.00 ATOM 895 N GLY 116 12.068 10.392 10.078 1.00 0.00 ATOM 896 CA GLY 116 11.004 9.706 9.360 1.00 0.00 ATOM 897 O GLY 116 9.849 11.809 9.288 1.00 0.00 ATOM 898 C GLY 116 9.764 10.578 9.242 1.00 0.00 ATOM 899 N HIS 117 8.670 9.848 8.780 1.00 0.00 ATOM 900 CA HIS 117 7.410 10.511 8.473 1.00 0.00 ATOM 901 CB HIS 117 6.989 10.414 7.006 1.00 0.00 ATOM 902 CG HIS 117 7.925 11.105 6.063 1.00 0.00 ATOM 903 CD2 HIS 117 7.997 12.423 5.451 1.00 0.00 ATOM 904 ND1 HIS 117 9.047 10.493 5.546 1.00 0.00 ATOM 905 CE1 HIS 117 9.683 11.357 4.735 1.00 0.00 ATOM 906 NE2 HIS 117 9.058 12.518 4.673 1.00 0.00 ATOM 907 O HIS 117 6.171 8.528 9.043 1.00 0.00 ATOM 908 C HIS 117 6.233 9.760 9.091 1.00 0.00 ATOM 909 N ILE 118 5.371 10.516 9.645 1.00 0.00 ATOM 910 CA ILE 118 4.192 9.935 10.266 1.00 0.00 ATOM 911 CB ILE 118 4.193 10.181 11.801 1.00 0.00 ATOM 912 CG1 ILE 118 5.367 9.446 12.448 1.00 0.00 ATOM 913 CG2 ILE 118 2.873 9.725 12.419 1.00 0.00 ATOM 914 CD1 ILE 118 5.562 9.759 13.919 1.00 0.00 ATOM 915 O ILE 118 2.614 11.657 9.693 1.00 0.00 ATOM 916 C ILE 118 2.895 10.455 9.640 1.00 0.00 ATOM 917 N TYR 119 2.145 9.562 8.994 1.00 0.00 ATOM 918 CA TYR 119 0.884 9.942 8.339 1.00 0.00 ATOM 919 CB TYR 119 0.954 9.653 6.838 1.00 0.00 ATOM 920 CG TYR 119 1.992 10.470 6.103 1.00 0.00 ATOM 921 CD1 TYR 119 3.287 9.995 5.943 1.00 0.00 ATOM 922 CD2 TYR 119 1.674 11.713 5.574 1.00 0.00 ATOM 923 CE1 TYR 119 4.244 10.735 5.274 1.00 0.00 ATOM 924 CE2 TYR 119 2.618 12.468 4.900 1.00 0.00 ATOM 925 CZ TYR 119 3.910 11.967 4.753 1.00 0.00 ATOM 926 OH TYR 119 4.861 12.706 4.087 1.00 0.00 ATOM 927 O TYR 119 -0.160 8.091 9.460 1.00 0.00 ATOM 928 C TYR 119 -0.309 9.188 8.890 1.00 0.00 ATOM 929 N TYR 120 -1.492 9.777 8.703 1.00 0.00 ATOM 930 CA TYR 120 -2.741 9.171 9.159 1.00 0.00 ATOM 931 CB TYR 120 -3.352 9.995 10.294 1.00 0.00 ATOM 932 CG TYR 120 -4.653 9.435 10.825 1.00 0.00 ATOM 933 CD1 TYR 120 -4.663 8.329 11.663 1.00 0.00 ATOM 934 CD2 TYR 120 -5.869 10.017 10.484 1.00 0.00 ATOM 935 CE1 TYR 120 -5.847 7.811 12.152 1.00 0.00 ATOM 936 CE2 TYR 120 -7.063 9.514 10.965 1.00 0.00 ATOM 937 CZ TYR 120 -7.042 8.402 11.806 1.00 0.00 ATOM 938 OH TYR 120 -8.223 7.888 12.292 1.00 0.00 ATOM 939 O TYR 120 -3.900 10.156 7.316 1.00 0.00 ATOM 940 C TYR 120 -3.699 9.140 7.981 1.00 0.00 ATOM 941 N ILE 121 -4.240 7.941 7.704 1.00 0.00 ATOM 942 CA ILE 121 -5.190 7.787 6.615 1.00 0.00 ATOM 943 CB ILE 121 -4.727 6.678 5.653 1.00 0.00 ATOM 944 CG1 ILE 121 -3.319 6.975 5.135 1.00 0.00 ATOM 945 CG2 ILE 121 -5.668 6.579 4.462 1.00 0.00 ATOM 946 CD1 ILE 121 -3.209 8.281 4.378 1.00 0.00 ATOM 947 O ILE 121 -6.657 6.367 7.875 1.00 0.00 ATOM 948 C ILE 121 -6.524 7.412 7.240 1.00 0.00 ATOM 949 N LYS 122 -7.503 8.287 7.064 1.00 0.00 ATOM 950 CA LYS 122 -8.829 8.126 7.638 1.00 0.00 ATOM 951 CB LYS 122 -8.981 8.997 8.887 1.00 0.00 ATOM 952 CG LYS 122 -10.336 8.876 9.565 1.00 0.00 ATOM 953 CD LYS 122 -10.400 9.725 10.826 1.00 0.00 ATOM 954 CE LYS 122 -11.667 9.444 11.618 1.00 0.00 ATOM 955 NZ LYS 122 -12.885 9.919 10.906 1.00 0.00 ATOM 956 O LYS 122 -9.848 9.670 6.094 1.00 0.00 ATOM 957 C LYS 122 -9.887 8.566 6.620 1.00 0.00 ATOM 958 N ASN 123 -10.810 7.633 6.384 1.00 0.00 ATOM 959 CA ASN 123 -11.899 7.912 5.445 1.00 0.00 ATOM 960 CB ASN 123 -12.844 8.967 6.027 1.00 0.00 ATOM 961 CG ASN 123 -13.573 8.478 7.262 1.00 0.00 ATOM 962 ND2 ASN 123 -13.928 9.406 8.143 1.00 0.00 ATOM 963 OD1 ASN 123 -13.813 7.282 7.422 1.00 0.00 ATOM 964 O ASN 123 -12.057 9.331 3.525 1.00 0.00 ATOM 965 C ASN 123 -11.447 8.426 4.084 1.00 0.00 ATOM 966 N GLY 124 -10.323 7.822 3.602 1.00 0.00 ATOM 967 CA GLY 124 -9.872 8.158 2.264 1.00 0.00 ATOM 968 O GLY 124 -8.518 9.758 1.116 1.00 0.00 ATOM 969 C GLY 124 -8.969 9.383 2.200 1.00 0.00 ATOM 970 N ILE 125 -8.699 10.007 3.343 1.00 0.00 ATOM 971 CA ILE 125 -7.963 11.268 3.387 1.00 0.00 ATOM 972 CB ILE 125 -8.752 12.357 4.135 1.00 0.00 ATOM 973 CG1 ILE 125 -10.089 12.622 3.439 1.00 0.00 ATOM 974 CG2 ILE 125 -7.962 13.657 4.172 1.00 0.00 ATOM 975 CD1 ILE 125 -11.013 13.533 4.216 1.00 0.00 ATOM 976 O ILE 125 -6.531 10.677 5.234 1.00 0.00 ATOM 977 C ILE 125 -6.606 11.126 4.080 1.00 0.00 ATOM 978 N PRO 126 -5.540 11.480 3.427 1.00 0.00 ATOM 979 CA PRO 126 -4.209 11.473 4.038 1.00 0.00 ATOM 980 CB PRO 126 -3.261 11.165 2.877 1.00 0.00 ATOM 981 CG PRO 126 -3.948 11.725 1.676 1.00 0.00 ATOM 982 CD PRO 126 -5.421 11.602 1.944 1.00 0.00 ATOM 983 O PRO 126 -3.944 13.864 4.103 1.00 0.00 ATOM 984 C PRO 126 -3.802 12.795 4.695 1.00 0.00 ATOM 985 N ASN 127 -3.316 12.714 5.929 1.00 0.00 ATOM 986 CA ASN 127 -2.802 13.876 6.641 1.00 0.00 ATOM 987 CB ASN 127 -3.757 14.281 7.766 1.00 0.00 ATOM 988 CG ASN 127 -5.135 14.649 7.257 1.00 0.00 ATOM 989 ND2 ASN 127 -6.109 13.783 7.510 1.00 0.00 ATOM 990 OD1 ASN 127 -5.321 15.700 6.643 1.00 0.00 ATOM 991 O ASN 127 -1.254 12.461 7.786 1.00 0.00 ATOM 992 C ASN 127 -1.438 13.530 7.221 1.00 0.00 ATOM 993 N LEU 128 -0.472 14.426 7.057 1.00 0.00 ATOM 994 CA LEU 128 0.790 14.320 7.767 1.00 0.00 ATOM 995 CB LEU 128 1.858 15.184 7.093 1.00 0.00 ATOM 996 CG LEU 128 3.249 15.159 7.728 1.00 0.00 ATOM 997 CD1 LEU 128 3.870 13.776 7.612 1.00 0.00 ATOM 998 CD2 LEU 128 4.172 16.154 7.040 1.00 0.00 ATOM 999 O LEU 128 0.051 15.922 9.396 1.00 0.00 ATOM 1000 C LEU 128 0.543 14.813 9.198 1.00 0.00 ATOM 1001 N LEU 129 0.905 13.890 10.186 1.00 0.00 ATOM 1002 CA LEU 129 0.571 14.348 11.537 1.00 0.00 ATOM 1003 CB LEU 129 -0.179 13.258 12.303 1.00 0.00 ATOM 1004 CG LEU 129 -1.524 12.821 11.720 1.00 0.00 ATOM 1005 CD1 LEU 129 -2.107 11.665 12.519 1.00 0.00 ATOM 1006 CD2 LEU 129 -2.520 13.969 11.749 1.00 0.00 ATOM 1007 O LEU 129 1.722 15.406 13.372 1.00 0.00 ATOM 1008 C LEU 129 1.817 14.836 12.278 1.00 0.00 ATOM 1009 N LEU 130 3.016 14.624 11.719 1.00 0.00 ATOM 1010 CA LEU 130 4.259 15.076 12.334 1.00 0.00 ATOM 1011 CB LEU 130 5.454 14.256 11.847 1.00 0.00 ATOM 1012 CG LEU 130 5.549 12.780 12.222 1.00 0.00 ATOM 1013 CD1 LEU 130 6.767 12.187 11.551 1.00 0.00 ATOM 1014 CD2 LEU 130 5.648 12.627 13.723 1.00 0.00 ATOM 1015 O LEU 130 4.005 17.053 11.057 1.00 0.00 ATOM 1016 C LEU 130 4.505 16.534 12.042 1.00 0.00 ATOM 1017 N PRO 131 5.281 17.191 12.913 1.00 0.00 ATOM 1018 CA PRO 131 5.582 18.628 12.768 1.00 0.00 ATOM 1019 CB PRO 131 6.175 19.021 14.123 1.00 0.00 ATOM 1020 CG PRO 131 5.720 17.949 15.055 1.00 0.00 ATOM 1021 CD PRO 131 5.640 16.691 14.235 1.00 0.00 ATOM 1022 O PRO 131 7.360 18.056 11.186 1.00 0.00 ATOM 1023 C PRO 131 6.577 18.909 11.635 1.00 0.00 ATOM 1024 N PRO 132 6.557 20.144 11.151 1.00 0.00 ATOM 1025 CA PRO 132 7.469 20.539 10.062 1.00 0.00 ATOM 1026 CB PRO 132 7.080 21.987 9.759 1.00 0.00 ATOM 1027 CG PRO 132 6.448 22.476 11.020 1.00 0.00 ATOM 1028 CD PRO 132 5.719 21.299 11.603 1.00 0.00 ATOM 1029 O PRO 132 9.820 20.413 9.529 1.00 0.00 ATOM 1030 C PRO 132 8.966 20.463 10.418 1.00 0.00 ATOM 1031 N HIS 133 9.273 20.476 11.709 1.00 0.00 ATOM 1032 CA HIS 133 10.647 20.428 12.189 1.00 0.00 ATOM 1033 CB HIS 133 10.797 21.247 13.472 1.00 0.00 ATOM 1034 CG HIS 133 10.566 22.714 13.283 1.00 0.00 ATOM 1035 CD2 HIS 133 9.545 23.666 13.696 1.00 0.00 ATOM 1036 ND1 HIS 133 11.429 23.517 12.570 1.00 0.00 ATOM 1037 CE1 HIS 133 10.959 24.777 12.575 1.00 0.00 ATOM 1038 NE2 HIS 133 9.830 24.873 13.248 1.00 0.00 ATOM 1039 O HIS 133 12.231 18.750 12.925 1.00 0.00 ATOM 1040 C HIS 133 11.092 18.993 12.494 1.00 0.00 ATOM 1041 N LEU 134 10.201 18.037 12.266 1.00 0.00 ATOM 1042 CA LEU 134 10.479 16.648 12.606 1.00 0.00 ATOM 1043 CB LEU 134 9.482 16.143 13.651 1.00 0.00 ATOM 1044 CG LEU 134 9.496 16.860 15.002 1.00 0.00 ATOM 1045 CD1 LEU 134 8.380 16.340 15.898 1.00 0.00 ATOM 1046 CD2 LEU 134 10.821 16.638 15.715 1.00 0.00 ATOM 1047 O LEU 134 11.271 14.842 11.263 1.00 0.00 ATOM 1048 C LEU 134 10.423 15.714 11.398 1.00 0.00 ATOM 1049 N VAL 135 9.423 15.889 10.533 1.00 0.00 ATOM 1050 CA VAL 135 9.234 14.995 9.399 1.00 0.00 ATOM 1051 CB VAL 135 7.874 14.265 9.634 1.00 0.00 ATOM 1052 CG1 VAL 135 7.443 13.503 8.435 1.00 0.00 ATOM 1053 CG2 VAL 135 8.025 13.337 10.837 1.00 0.00 ATOM 1054 O VAL 135 8.766 16.943 8.102 1.00 0.00 ATOM 1055 C VAL 135 9.110 15.761 8.099 1.00 0.00 TER END