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 2 Thu Jul 13 18:28:33 2006 MODEL 2 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 -19.146 10.197 22.292 1.00 0.00 ATOM 2 CA MET 1 -17.773 10.535 22.822 1.00 0.00 ATOM 3 CB MET 1 -17.354 9.410 23.766 1.00 0.00 ATOM 4 CG MET 1 -16.101 9.722 24.500 1.00 0.00 ATOM 5 SD MET 1 -15.688 8.333 25.520 1.00 0.00 ATOM 6 CE MET 1 -14.414 9.179 26.478 1.00 0.00 ATOM 7 O MET 1 -16.743 10.079 20.772 1.00 0.00 ATOM 8 C MET 1 -16.863 10.851 21.683 1.00 0.00 ATOM 9 N LYS 2 -16.153 12.022 21.686 1.00 0.00 ATOM 10 CA LYS 2 -15.223 12.383 20.632 1.00 0.00 ATOM 11 CB LYS 2 -14.212 13.524 21.337 1.00 0.00 ATOM 12 CG LYS 2 -14.844 14.671 22.143 1.00 0.00 ATOM 13 CD LYS 2 -15.746 15.493 21.195 1.00 0.00 ATOM 14 CE LYS 2 -16.492 16.658 21.846 1.00 0.00 ATOM 15 NZ LYS 2 -17.742 16.887 21.062 1.00 0.00 ATOM 16 O LYS 2 -13.625 11.016 19.487 1.00 0.00 ATOM 17 C LYS 2 -14.085 11.371 20.568 1.00 0.00 ATOM 18 N PHE 3 -13.625 10.882 21.730 1.00 0.00 ATOM 19 CA PHE 3 -12.551 9.897 21.759 1.00 0.00 ATOM 20 CB PHE 3 -12.121 9.653 23.207 1.00 0.00 ATOM 21 CG PHE 3 -11.398 10.811 23.830 1.00 0.00 ATOM 22 CD1 PHE 3 -10.890 11.832 23.044 1.00 0.00 ATOM 23 CD2 PHE 3 -11.225 10.883 25.200 1.00 0.00 ATOM 24 CE1 PHE 3 -10.223 12.899 23.617 1.00 0.00 ATOM 25 CE2 PHE 3 -10.559 11.950 25.774 1.00 0.00 ATOM 26 CZ PHE 3 -10.059 12.955 24.987 1.00 0.00 ATOM 27 O PHE 3 -12.176 7.904 20.483 1.00 0.00 ATOM 28 C PHE 3 -12.956 8.558 21.188 1.00 0.00 ATOM 29 N LEU 4 -14.178 8.143 21.488 1.00 0.00 ATOM 30 CA LEU 4 -14.680 6.874 20.989 1.00 0.00 ATOM 31 CB LEU 4 -16.059 6.572 21.583 1.00 0.00 ATOM 32 CG LEU 4 -16.097 6.257 23.079 1.00 0.00 ATOM 33 CD1 LEU 4 -17.533 6.156 23.571 1.00 0.00 ATOM 34 CD2 LEU 4 -15.401 4.936 23.369 1.00 0.00 ATOM 35 O LEU 4 -14.434 5.962 18.803 1.00 0.00 ATOM 36 C LEU 4 -14.791 6.922 19.479 1.00 0.00 ATOM 37 N THR 5 -15.234 8.056 18.944 1.00 0.00 ATOM 38 CA THR 5 -15.377 8.231 17.497 1.00 0.00 ATOM 39 CB THR 5 -16.029 9.580 17.146 1.00 0.00 ATOM 40 CG2 THR 5 -16.120 9.752 15.637 1.00 0.00 ATOM 41 OG1 THR 5 -17.352 9.634 17.698 1.00 0.00 ATOM 42 O THR 5 -13.899 7.530 15.718 1.00 0.00 ATOM 43 C THR 5 -14.043 8.193 16.744 1.00 0.00 ATOM 44 N THR 6 -13.071 8.928 17.265 1.00 0.00 ATOM 45 CA THR 6 -11.739 8.951 16.675 1.00 0.00 ATOM 46 CB THR 6 -10.799 9.901 17.440 1.00 0.00 ATOM 47 CG2 THR 6 -9.406 9.878 16.830 1.00 0.00 ATOM 48 OG1 THR 6 -11.311 11.237 17.379 1.00 0.00 ATOM 49 O THR 6 -10.514 7.043 15.793 1.00 0.00 ATOM 50 C THR 6 -11.169 7.517 16.728 1.00 0.00 ATOM 51 N ASN 7 -11.482 6.808 17.807 1.00 0.00 ATOM 52 CA ASN 7 -11.000 5.431 17.940 1.00 0.00 ATOM 53 CB ASN 7 -11.423 4.843 19.287 1.00 0.00 ATOM 54 CG ASN 7 -10.825 3.472 19.539 1.00 0.00 ATOM 55 ND2 ASN 7 -11.683 2.465 19.649 1.00 0.00 ATOM 56 OD1 ASN 7 -9.607 3.323 19.631 1.00 0.00 ATOM 57 O ASN 7 -10.924 3.730 16.229 1.00 0.00 ATOM 58 C ASN 7 -11.601 4.573 16.819 1.00 0.00 ATOM 59 N PHE 8 -12.892 4.776 16.538 1.00 0.00 ATOM 60 CA PHE 8 -13.574 4.062 15.477 1.00 0.00 ATOM 61 CB PHE 8 -15.026 4.530 15.366 1.00 0.00 ATOM 62 CG PHE 8 -15.791 3.873 14.253 1.00 0.00 ATOM 63 CD1 PHE 8 -16.300 2.595 14.403 1.00 0.00 ATOM 64 CD2 PHE 8 -16.000 4.534 13.054 1.00 0.00 ATOM 65 CE1 PHE 8 -17.003 1.991 13.378 1.00 0.00 ATOM 66 CE2 PHE 8 -16.703 3.929 12.029 1.00 0.00 ATOM 67 CZ PHE 8 -17.204 2.663 12.187 1.00 0.00 ATOM 68 O PHE 8 -12.655 3.404 13.358 1.00 0.00 ATOM 69 C PHE 8 -12.875 4.333 14.135 1.00 0.00 ATOM 70 N LEU 9 -12.513 5.590 13.874 1.00 0.00 ATOM 71 CA LEU 9 -11.831 5.905 12.615 1.00 0.00 ATOM 72 CB LEU 9 -11.698 7.419 12.443 1.00 0.00 ATOM 73 CG LEU 9 -12.995 8.189 12.186 1.00 0.00 ATOM 74 CD1 LEU 9 -12.745 9.689 12.212 1.00 0.00 ATOM 75 CD2 LEU 9 -13.575 7.828 10.826 1.00 0.00 ATOM 76 O LEU 9 -10.022 4.757 11.552 1.00 0.00 ATOM 77 C LEU 9 -10.442 5.266 12.577 1.00 0.00 ATOM 78 N LYS 10 -9.747 5.286 13.704 1.00 0.00 ATOM 79 CA LYS 10 -8.406 4.656 13.747 1.00 0.00 ATOM 80 CB LYS 10 -7.744 4.931 15.098 1.00 0.00 ATOM 81 CG LYS 10 -7.322 6.377 15.301 1.00 0.00 ATOM 82 CD LYS 10 -6.678 6.579 16.663 1.00 0.00 ATOM 83 CE LYS 10 -6.258 8.026 16.864 1.00 0.00 ATOM 84 NZ LYS 10 -5.649 8.246 18.206 1.00 0.00 ATOM 85 O LYS 10 -7.612 2.538 12.959 1.00 0.00 ATOM 86 C LYS 10 -8.490 3.132 13.562 1.00 0.00 ATOM 87 N CYS 11 -9.592 2.480 14.106 1.00 0.00 ATOM 88 CA CYS 11 -9.810 1.033 13.994 1.00 0.00 ATOM 89 CB CYS 11 -10.916 0.557 14.947 1.00 0.00 ATOM 90 SG CYS 11 -10.845 1.190 16.615 1.00 0.00 ATOM 91 O CYS 11 -9.738 -0.364 12.027 1.00 0.00 ATOM 92 C CYS 11 -10.198 0.659 12.580 1.00 0.00 ATOM 93 N SER 12 -11.146 1.395 12.000 1.00 0.00 ATOM 94 CA SER 12 -11.431 1.207 10.573 1.00 0.00 ATOM 95 CB SER 12 -12.477 2.218 10.098 1.00 0.00 ATOM 96 OG SER 12 -13.730 1.984 10.715 1.00 0.00 ATOM 97 O SER 12 -9.847 0.512 8.897 1.00 0.00 ATOM 98 C SER 12 -10.153 1.352 9.748 1.00 0.00 ATOM 99 N VAL 13 -9.366 2.391 10.071 1.00 0.00 ATOM 100 CA VAL 13 -8.083 2.580 9.407 1.00 0.00 ATOM 101 CB VAL 13 -7.550 4.024 9.849 1.00 0.00 ATOM 102 CG1 VAL 13 -6.143 4.288 9.384 1.00 0.00 ATOM 103 CG2 VAL 13 -8.511 5.101 9.255 1.00 0.00 ATOM 104 O VAL 13 -6.365 1.022 8.779 1.00 0.00 ATOM 105 C VAL 13 -7.068 1.472 9.681 1.00 0.00 ATOM 106 N LYS 14 -6.976 1.042 10.937 1.00 0.00 ATOM 107 CA LYS 14 -6.057 -0.016 11.319 1.00 0.00 ATOM 108 CB LYS 14 -6.125 -0.286 12.823 1.00 0.00 ATOM 109 CG LYS 14 -5.141 -1.337 13.311 1.00 0.00 ATOM 110 CD LYS 14 -3.705 -0.859 13.160 1.00 0.00 ATOM 111 CE LYS 14 -2.725 -1.860 13.754 1.00 0.00 ATOM 112 NZ LYS 14 -1.314 -1.410 13.605 1.00 0.00 ATOM 113 O LYS 14 -5.453 -2.005 10.136 1.00 0.00 ATOM 114 C LYS 14 -6.376 -1.299 10.565 1.00 0.00 ATOM 115 N ALA 15 -7.725 -1.560 10.331 1.00 0.00 ATOM 116 CA ALA 15 -8.175 -2.741 9.568 1.00 0.00 ATOM 117 CB ALA 15 -9.693 -2.811 9.545 1.00 0.00 ATOM 118 O ALA 15 -7.038 -3.574 7.633 1.00 0.00 ATOM 119 C ALA 15 -7.625 -2.637 8.148 1.00 0.00 ATOM 120 N CYS 16 -7.677 -1.441 7.565 1.00 0.00 ATOM 121 CA CYS 16 -7.120 -1.270 6.226 1.00 0.00 ATOM 122 CB CYS 16 -7.416 0.135 5.699 1.00 0.00 ATOM 123 SG CYS 16 -9.159 0.444 5.333 1.00 0.00 ATOM 124 O CYS 16 -5.066 -2.192 5.334 1.00 0.00 ATOM 125 C CYS 16 -5.599 -1.472 6.198 1.00 0.00 ATOM 126 N ASP 17 -4.897 -0.920 7.188 1.00 0.00 ATOM 127 CA ASP 17 -3.449 -1.029 7.271 1.00 0.00 ATOM 128 CB ASP 17 -2.973 0.143 8.215 1.00 0.00 ATOM 129 CG ASP 17 -3.171 1.513 7.637 1.00 0.00 ATOM 130 OD1 ASP 17 -3.348 1.663 6.407 1.00 0.00 ATOM 131 OD2 ASP 17 -3.159 2.466 8.431 1.00 0.00 ATOM 132 O ASP 17 -1.745 -2.659 7.591 1.00 0.00 ATOM 133 C ASP 17 -2.943 -2.400 7.665 1.00 0.00 ATOM 134 N THR 18 -3.910 -3.290 8.120 1.00 0.00 ATOM 135 CA THR 18 -3.498 -4.649 8.453 1.00 0.00 ATOM 136 CB THR 18 -3.829 -5.069 9.899 1.00 0.00 ATOM 137 CG2 THR 18 -3.048 -4.222 10.891 1.00 0.00 ATOM 138 OG1 THR 18 -5.230 -4.896 10.140 1.00 0.00 ATOM 139 O THR 18 -4.210 -6.855 7.811 1.00 0.00 ATOM 140 C THR 18 -4.197 -5.650 7.544 1.00 0.00 ATOM 141 N SER 19 -4.772 -5.143 6.469 1.00 0.00 ATOM 142 CA SER 19 -5.458 -5.983 5.486 1.00 0.00 ATOM 143 CB SER 19 -4.442 -6.732 4.622 1.00 0.00 ATOM 144 OG SER 19 -3.592 -5.831 3.936 1.00 0.00 ATOM 145 O SER 19 -6.046 -8.182 6.267 1.00 0.00 ATOM 146 C SER 19 -6.325 -6.982 6.246 1.00 0.00 ATOM 147 N ASN 20 -7.309 -6.312 7.015 1.00 0.00 ATOM 148 CA ASN 20 -8.280 -7.088 7.784 1.00 0.00 ATOM 149 CB ASN 20 -9.120 -7.966 6.777 1.00 0.00 ATOM 150 CG ASN 20 -9.858 -7.124 5.752 1.00 0.00 ATOM 151 ND2 ASN 20 -9.590 -7.352 4.479 1.00 0.00 ATOM 152 OD1 ASN 20 -10.617 -6.231 6.114 1.00 0.00 ATOM 153 O ASN 20 -8.728 -8.690 9.497 1.00 0.00 ATOM 154 C ASN 20 -7.864 -8.066 8.868 1.00 0.00 ATOM 155 N ASP 21 -6.563 -8.148 9.150 1.00 0.00 ATOM 156 CA ASP 21 -6.097 -9.069 10.189 1.00 0.00 ATOM 157 CB ASP 21 -4.579 -8.972 10.349 1.00 0.00 ATOM 158 CG ASP 21 -3.830 -9.603 9.192 1.00 0.00 ATOM 159 OD1 ASP 21 -4.467 -10.317 8.390 1.00 0.00 ATOM 160 OD2 ASP 21 -2.605 -9.383 9.086 1.00 0.00 ATOM 161 O ASP 21 -7.142 -9.706 12.266 1.00 0.00 ATOM 162 C ASP 21 -6.713 -8.780 11.545 1.00 0.00 ATOM 163 N ASN 22 -6.773 -7.510 11.863 1.00 0.00 ATOM 164 CA ASN 22 -7.378 -7.052 13.098 1.00 0.00 ATOM 165 CB ASN 22 -6.485 -6.012 13.779 1.00 0.00 ATOM 166 CG ASN 22 -5.131 -6.574 14.167 1.00 0.00 ATOM 167 ND2 ASN 22 -4.075 -6.033 13.568 1.00 0.00 ATOM 168 OD1 ASN 22 -5.036 -7.480 14.994 1.00 0.00 ATOM 169 O ASN 22 -8.781 -5.449 12.011 1.00 0.00 ATOM 170 C ASN 22 -8.705 -6.442 12.754 1.00 0.00 ATOM 171 N PHE 23 -9.744 -6.957 13.391 1.00 0.00 ATOM 172 CA PHE 23 -11.095 -6.501 13.087 1.00 0.00 ATOM 173 CB PHE 23 -12.117 -7.586 13.432 1.00 0.00 ATOM 174 CG PHE 23 -12.094 -8.761 12.496 1.00 0.00 ATOM 175 CD1 PHE 23 -11.425 -9.923 12.838 1.00 0.00 ATOM 176 CD2 PHE 23 -12.743 -8.705 11.276 1.00 0.00 ATOM 177 CE1 PHE 23 -11.404 -11.004 11.976 1.00 0.00 ATOM 178 CE2 PHE 23 -12.723 -9.785 10.414 1.00 0.00 ATOM 179 CZ PHE 23 -12.056 -10.931 10.761 1.00 0.00 ATOM 180 O PHE 23 -12.494 -4.583 13.459 1.00 0.00 ATOM 181 C PHE 23 -11.517 -5.253 13.848 1.00 0.00 ATOM 182 N PRO 24 -10.729 -4.668 14.928 1.00 0.00 ATOM 183 CA PRO 24 -11.174 -3.572 15.780 1.00 0.00 ATOM 184 CB PRO 24 -12.118 -4.234 16.807 1.00 0.00 ATOM 185 CG PRO 24 -11.829 -5.713 16.769 1.00 0.00 ATOM 186 CD PRO 24 -11.007 -5.989 15.518 1.00 0.00 ATOM 187 O PRO 24 -9.081 -3.679 16.964 1.00 0.00 ATOM 188 C PRO 24 -10.080 -3.027 16.661 1.00 0.00 ATOM 189 N LEU 25 -10.414 -1.718 17.243 1.00 0.00 ATOM 190 CA LEU 25 -9.568 -0.986 18.161 1.00 0.00 ATOM 191 CB LEU 25 -9.016 0.245 17.440 1.00 0.00 ATOM 192 CG LEU 25 -8.089 1.150 18.255 1.00 0.00 ATOM 193 CD1 LEU 25 -6.818 0.411 18.640 1.00 0.00 ATOM 194 CD2 LEU 25 -7.700 2.382 17.453 1.00 0.00 ATOM 195 O LEU 25 -11.573 -0.048 19.096 1.00 0.00 ATOM 196 C LEU 25 -10.511 -0.634 19.317 1.00 0.00 ATOM 197 N GLN 26 -10.169 -1.053 20.546 1.00 0.00 ATOM 198 CA GLN 26 -11.030 -0.777 21.685 1.00 0.00 ATOM 199 CB GLN 26 -11.135 -2.041 22.541 1.00 0.00 ATOM 200 CG GLN 26 -11.958 -1.867 23.807 1.00 0.00 ATOM 201 CD GLN 26 -13.448 -1.809 23.530 1.00 0.00 ATOM 202 OE1 GLN 26 -13.986 -2.644 22.804 1.00 0.00 ATOM 203 NE2 GLN 26 -14.119 -0.820 24.109 1.00 0.00 ATOM 204 O GLN 26 -9.159 0.299 22.719 1.00 0.00 ATOM 205 C GLN 26 -10.360 0.339 22.458 1.00 0.00 ATOM 206 N TYR 27 -11.157 1.347 22.820 1.00 0.00 ATOM 207 CA TYR 27 -10.639 2.515 23.513 1.00 0.00 ATOM 208 CB TYR 27 -10.887 3.770 22.661 1.00 0.00 ATOM 209 CG TYR 27 -10.587 5.088 23.349 1.00 0.00 ATOM 210 CD1 TYR 27 -9.316 5.368 23.856 1.00 0.00 ATOM 211 CD2 TYR 27 -11.570 6.069 23.464 1.00 0.00 ATOM 212 CE1 TYR 27 -9.034 6.597 24.458 1.00 0.00 ATOM 213 CE2 TYR 27 -11.300 7.296 24.060 1.00 0.00 ATOM 214 CZ TYR 27 -10.034 7.556 24.555 1.00 0.00 ATOM 215 OH TYR 27 -9.772 8.779 25.137 1.00 0.00 ATOM 216 O TYR 27 -12.465 2.504 25.055 1.00 0.00 ATOM 217 C TYR 27 -11.250 2.590 24.908 1.00 0.00 ATOM 218 N ASP 28 -10.414 2.638 25.923 1.00 0.00 ATOM 219 CA ASP 28 -10.875 2.745 27.308 1.00 0.00 ATOM 220 CB ASP 28 -9.767 2.326 28.276 1.00 0.00 ATOM 221 CG ASP 28 -9.508 0.833 28.253 1.00 0.00 ATOM 222 OD1 ASP 28 -10.353 0.092 27.709 1.00 0.00 ATOM 223 OD2 ASP 28 -8.460 0.403 28.779 1.00 0.00 ATOM 224 O ASP 28 -11.799 4.323 28.873 1.00 0.00 ATOM 225 C ASP 28 -11.313 4.154 27.749 1.00 0.00 ATOM 226 N GLY 29 -11.120 5.169 26.905 1.00 0.00 ATOM 227 CA GLY 29 -11.430 6.542 27.268 1.00 0.00 ATOM 228 O GLY 29 -10.730 8.153 28.922 1.00 0.00 ATOM 229 C GLY 29 -10.420 7.181 28.215 1.00 0.00 ATOM 230 N SER 30 -9.203 6.645 28.234 1.00 0.00 ATOM 231 CA SER 30 -8.126 7.141 29.076 1.00 0.00 ATOM 232 CB SER 30 -7.219 6.009 29.541 1.00 0.00 ATOM 233 OG SER 30 -6.310 6.480 30.519 1.00 0.00 ATOM 234 O SER 30 -7.263 8.196 27.100 1.00 0.00 ATOM 235 C SER 30 -7.270 8.160 28.323 1.00 0.00 ATOM 236 N LYS 31 -6.567 8.984 29.089 1.00 0.00 ATOM 237 CA LYS 31 -5.664 9.965 28.494 1.00 0.00 ATOM 238 CB LYS 31 -4.867 10.689 29.580 1.00 0.00 ATOM 239 CG LYS 31 -3.949 11.781 29.055 1.00 0.00 ATOM 240 CD LYS 31 -3.244 12.504 30.191 1.00 0.00 ATOM 241 CE LYS 31 -2.319 13.590 29.664 1.00 0.00 ATOM 242 NZ LYS 31 -1.622 14.308 30.766 1.00 0.00 ATOM 243 O LYS 31 -4.458 9.655 26.421 1.00 0.00 ATOM 244 C LYS 31 -4.698 9.253 27.556 1.00 0.00 ATOM 245 N CYS 32 -5.746 7.862 27.720 1.00 0.00 ATOM 246 CA CYS 32 -6.199 6.992 26.626 1.00 0.00 ATOM 247 CB CYS 32 -6.288 7.779 25.318 1.00 0.00 ATOM 248 SG CYS 32 -6.812 6.801 23.891 1.00 0.00 ATOM 249 O CYS 32 -4.180 5.933 25.905 1.00 0.00 ATOM 250 C CYS 32 -5.331 5.785 26.311 1.00 0.00 ATOM 251 N GLN 33 -5.867 4.567 26.435 1.00 0.00 ATOM 252 CA GLN 33 -5.158 3.343 26.109 1.00 0.00 ATOM 253 CB GLN 33 -5.129 2.462 27.360 1.00 0.00 ATOM 254 CG GLN 33 -4.349 3.058 28.520 1.00 0.00 ATOM 255 CD GLN 33 -4.366 2.171 29.751 1.00 0.00 ATOM 256 OE1 GLN 33 -4.942 1.084 29.735 1.00 0.00 ATOM 257 NE2 GLN 33 -3.733 2.635 30.822 1.00 0.00 ATOM 258 O GLN 33 -7.107 2.567 24.934 1.00 0.00 ATOM 259 C GLN 33 -5.876 2.601 24.982 1.00 0.00 ATOM 260 N LEU 34 -5.102 1.996 24.084 1.00 0.00 ATOM 261 CA LEU 34 -5.676 1.256 22.963 1.00 0.00 ATOM 262 CB LEU 34 -5.050 1.714 21.644 1.00 0.00 ATOM 263 CG LEU 34 -5.203 3.198 21.300 1.00 0.00 ATOM 264 CD1 LEU 34 -4.467 3.529 20.011 1.00 0.00 ATOM 265 CD2 LEU 34 -6.669 3.559 21.119 1.00 0.00 ATOM 266 O LEU 34 -4.424 -0.672 23.631 1.00 0.00 ATOM 267 C LEU 34 -5.429 -0.239 23.078 1.00 0.00 ATOM 268 N VAL 35 -6.395 -1.003 22.576 1.00 0.00 ATOM 269 CA VAL 35 -6.326 -2.465 22.519 1.00 0.00 ATOM 270 CB VAL 35 -7.172 -3.105 23.636 1.00 0.00 ATOM 271 CG1 VAL 35 -6.638 -2.705 25.003 1.00 0.00 ATOM 272 CG2 VAL 35 -8.619 -2.651 23.533 1.00 0.00 ATOM 273 O VAL 35 -7.585 -2.068 20.529 1.00 0.00 ATOM 274 C VAL 35 -6.868 -2.839 21.153 1.00 0.00 ATOM 275 N GLN 36 -6.558 -4.016 20.650 1.00 0.00 ATOM 276 CA GLN 36 -7.002 -4.477 19.346 1.00 0.00 ATOM 277 CB GLN 36 -5.805 -4.670 18.410 1.00 0.00 ATOM 278 CG GLN 36 -4.968 -3.417 18.208 1.00 0.00 ATOM 279 CD GLN 36 -5.716 -2.330 17.462 1.00 0.00 ATOM 280 OE1 GLN 36 -6.411 -2.602 16.482 1.00 0.00 ATOM 281 NE2 GLN 36 -5.575 -1.092 17.921 1.00 0.00 ATOM 282 O GLN 36 -7.213 -6.702 20.209 1.00 0.00 ATOM 283 C GLN 36 -7.639 -5.833 19.432 1.00 0.00 ATOM 284 N ASP 37 -8.631 -6.073 18.599 1.00 0.00 ATOM 285 CA ASP 37 -9.293 -7.363 18.528 1.00 0.00 ATOM 286 CB ASP 37 -10.800 -7.149 18.366 1.00 0.00 ATOM 287 CG ASP 37 -11.584 -8.444 18.442 1.00 0.00 ATOM 288 OD1 ASP 37 -10.951 -9.518 18.521 1.00 0.00 ATOM 289 OD2 ASP 37 -12.832 -8.386 18.419 1.00 0.00 ATOM 290 O ASP 37 -8.760 -7.731 16.244 1.00 0.00 ATOM 291 C ASP 37 -8.774 -8.176 17.372 1.00 0.00 ATOM 292 N GLU 38 -8.167 -9.386 17.769 1.00 0.00 ATOM 293 CA GLU 38 -7.600 -10.263 16.771 1.00 0.00 ATOM 294 CB GLU 38 -6.088 -10.393 16.969 1.00 0.00 ATOM 295 CG GLU 38 -5.402 -11.279 15.942 1.00 0.00 ATOM 296 CD GLU 38 -3.895 -11.304 16.107 1.00 0.00 ATOM 297 OE1 GLU 38 -3.391 -10.669 17.058 1.00 0.00 ATOM 298 OE2 GLU 38 -3.217 -11.957 15.286 1.00 0.00 ATOM 299 O GLU 38 -8.289 -12.122 18.099 1.00 0.00 ATOM 300 C GLU 38 -8.315 -11.595 16.996 1.00 0.00 ATOM 301 N SER 39 -8.886 -12.131 15.925 1.00 0.00 ATOM 302 CA SER 39 -9.597 -13.402 16.007 1.00 0.00 ATOM 303 CB SER 39 -8.612 -14.556 16.201 1.00 0.00 ATOM 304 OG SER 39 -7.710 -14.644 15.112 1.00 0.00 ATOM 305 O SER 39 -10.675 -14.462 17.919 1.00 0.00 ATOM 306 C SER 39 -10.598 -13.466 17.177 1.00 0.00 ATOM 307 N ILE 40 -11.281 -12.033 17.454 1.00 0.00 ATOM 308 CA ILE 40 -12.279 -11.972 18.504 1.00 0.00 ATOM 309 CB ILE 40 -13.105 -13.270 18.573 1.00 0.00 ATOM 310 CG1 ILE 40 -12.204 -14.458 18.913 1.00 0.00 ATOM 311 CG2 ILE 40 -13.780 -13.543 17.237 1.00 0.00 ATOM 312 CD1 ILE 40 -12.963 -15.730 19.225 1.00 0.00 ATOM 313 O ILE 40 -12.626 -11.721 20.849 1.00 0.00 ATOM 314 C ILE 40 -11.813 -11.749 19.926 1.00 0.00 ATOM 315 N GLU 41 -10.511 -11.575 20.108 1.00 0.00 ATOM 316 CA GLU 41 -9.963 -11.319 21.444 1.00 0.00 ATOM 317 CB GLU 41 -9.001 -12.442 21.836 1.00 0.00 ATOM 318 CG GLU 41 -9.668 -13.798 22.011 1.00 0.00 ATOM 319 CD GLU 41 -8.695 -14.873 22.455 1.00 0.00 ATOM 320 OE1 GLU 41 -7.496 -14.561 22.607 1.00 0.00 ATOM 321 OE2 GLU 41 -9.133 -16.026 22.649 1.00 0.00 ATOM 322 O GLU 41 -8.399 -9.693 20.618 1.00 0.00 ATOM 323 C GLU 41 -9.194 -10.001 21.510 1.00 0.00 ATOM 324 N PHE 42 -9.377 -9.283 22.613 1.00 0.00 ATOM 325 CA PHE 42 -8.656 -8.025 22.834 1.00 0.00 ATOM 326 CB PHE 42 -9.322 -7.213 23.947 1.00 0.00 ATOM 327 CG PHE 42 -10.633 -6.601 23.548 1.00 0.00 ATOM 328 CD1 PHE 42 -11.829 -7.199 23.902 1.00 0.00 ATOM 329 CD2 PHE 42 -10.671 -5.423 22.820 1.00 0.00 ATOM 330 CE1 PHE 42 -13.036 -6.635 23.536 1.00 0.00 ATOM 331 CE2 PHE 42 -11.877 -4.858 22.455 1.00 0.00 ATOM 332 CZ PHE 42 -13.057 -5.459 22.808 1.00 0.00 ATOM 333 O PHE 42 -7.033 -9.290 24.077 1.00 0.00 ATOM 334 C PHE 42 -7.227 -8.410 23.230 1.00 0.00 ATOM 335 N ASN 43 -6.217 -7.685 22.608 1.00 0.00 ATOM 336 CA ASN 43 -4.823 -8.024 22.898 1.00 0.00 ATOM 337 CB ASN 43 -4.172 -8.694 21.688 1.00 0.00 ATOM 338 CG ASN 43 -4.829 -10.012 21.327 1.00 0.00 ATOM 339 ND2 ASN 43 -5.569 -10.020 20.225 1.00 0.00 ATOM 340 OD1 ASN 43 -4.672 -11.008 22.033 1.00 0.00 ATOM 341 O ASN 43 -4.377 -5.676 22.761 1.00 0.00 ATOM 342 C ASN 43 -4.051 -6.765 23.235 1.00 0.00 ATOM 343 N PRO 44 -2.989 -6.942 24.051 1.00 0.00 ATOM 344 CA PRO 44 -2.123 -5.821 24.443 1.00 0.00 ATOM 345 CB PRO 44 -1.025 -6.509 25.259 1.00 0.00 ATOM 346 CG PRO 44 -1.730 -7.693 25.855 1.00 0.00 ATOM 347 CD PRO 44 -2.563 -8.194 24.700 1.00 0.00 ATOM 348 O PRO 44 -1.344 -5.687 22.169 1.00 0.00 ATOM 349 C PRO 44 -1.520 -5.096 23.236 1.00 0.00 ATOM 350 N GLU 45 -1.220 -3.808 23.414 1.00 0.00 ATOM 351 CA GLU 45 -0.620 -3.020 22.337 1.00 0.00 ATOM 352 CB GLU 45 -0.527 -1.546 22.740 1.00 0.00 ATOM 353 CG GLU 45 -1.871 -0.839 22.820 1.00 0.00 ATOM 354 CD GLU 45 -1.751 0.580 23.339 1.00 0.00 ATOM 355 OE1 GLU 45 -0.628 0.987 23.704 1.00 0.00 ATOM 356 OE2 GLU 45 -2.782 1.285 23.381 1.00 0.00 ATOM 357 O GLU 45 1.160 -3.587 20.827 1.00 0.00 ATOM 358 C GLU 45 0.787 -3.506 22.001 1.00 0.00 ATOM 359 N PHE 46 1.568 -3.839 23.025 1.00 0.00 ATOM 360 CA PHE 46 2.917 -4.341 22.806 1.00 0.00 ATOM 361 CB PHE 46 3.625 -4.575 24.142 1.00 0.00 ATOM 362 CG PHE 46 5.015 -5.127 24.002 1.00 0.00 ATOM 363 CD1 PHE 46 6.075 -4.299 23.682 1.00 0.00 ATOM 364 CD2 PHE 46 5.262 -6.476 24.192 1.00 0.00 ATOM 365 CE1 PHE 46 7.354 -4.807 23.553 1.00 0.00 ATOM 366 CE2 PHE 46 6.540 -6.984 24.064 1.00 0.00 ATOM 367 CZ PHE 46 7.584 -6.155 23.746 1.00 0.00 ATOM 368 O PHE 46 3.543 -5.842 21.027 1.00 0.00 ATOM 369 C PHE 46 2.855 -5.663 22.036 1.00 0.00 ATOM 370 N LEU 47 2.017 -6.584 22.514 1.00 0.00 ATOM 371 CA LEU 47 1.872 -7.889 21.894 1.00 0.00 ATOM 372 CB LEU 47 0.980 -8.787 22.752 1.00 0.00 ATOM 373 CG LEU 47 0.704 -10.190 22.211 1.00 0.00 ATOM 374 CD1 LEU 47 1.991 -10.916 21.854 1.00 0.00 ATOM 375 CD2 LEU 47 -0.088 -10.982 23.241 1.00 0.00 ATOM 376 O LEU 47 1.795 -8.416 19.572 1.00 0.00 ATOM 377 C LEU 47 1.303 -7.771 20.497 1.00 0.00 ATOM 378 N LEU 48 0.274 -6.945 20.337 1.00 0.00 ATOM 379 CA LEU 48 -0.318 -6.735 19.017 1.00 0.00 ATOM 380 CB LEU 48 -1.507 -5.774 19.077 1.00 0.00 ATOM 381 CG LEU 48 -2.778 -6.343 19.735 1.00 0.00 ATOM 382 CD1 LEU 48 -3.698 -5.212 20.115 1.00 0.00 ATOM 383 CD2 LEU 48 -3.418 -7.319 18.759 1.00 0.00 ATOM 384 O LEU 48 0.854 -6.640 16.931 1.00 0.00 ATOM 385 C LEU 48 0.730 -6.173 18.061 1.00 0.00 ATOM 386 N ASN 49 1.498 -5.193 18.538 1.00 0.00 ATOM 387 CA ASN 49 2.622 -4.650 17.776 1.00 0.00 ATOM 388 CB ASN 49 3.340 -3.565 18.586 1.00 0.00 ATOM 389 CG ASN 49 2.556 -2.261 18.647 1.00 0.00 ATOM 390 ND2 ASN 49 2.589 -1.605 19.805 1.00 0.00 ATOM 391 OD1 ASN 49 1.945 -1.843 17.664 1.00 0.00 ATOM 392 O ASN 49 4.120 -5.717 16.229 1.00 0.00 ATOM 393 C ASN 49 3.622 -5.731 17.353 1.00 0.00 ATOM 394 N ILE 50 3.883 -6.649 18.263 1.00 0.00 ATOM 395 CA ILE 50 4.817 -7.720 17.941 1.00 0.00 ATOM 396 CB ILE 50 5.028 -8.665 19.138 1.00 0.00 ATOM 397 CG1 ILE 50 5.764 -7.939 20.267 1.00 0.00 ATOM 398 CG2 ILE 50 5.854 -9.874 18.723 1.00 0.00 ATOM 399 CD1 ILE 50 5.780 -8.703 21.573 1.00 0.00 ATOM 400 O ILE 50 5.103 -8.984 15.910 1.00 0.00 ATOM 401 C ILE 50 4.314 -8.567 16.772 1.00 0.00 ATOM 402 N VAL 51 3.019 -8.844 16.746 1.00 0.00 ATOM 403 CA VAL 51 2.478 -9.624 15.646 1.00 0.00 ATOM 404 CB VAL 51 0.984 -9.939 15.857 1.00 0.00 ATOM 405 CG1 VAL 51 0.393 -10.578 14.610 1.00 0.00 ATOM 406 CG2 VAL 51 0.803 -10.898 17.023 1.00 0.00 ATOM 407 O VAL 51 2.942 -9.476 13.289 1.00 0.00 ATOM 408 C VAL 51 2.633 -8.884 14.327 1.00 0.00 ATOM 409 N ASP 52 2.387 -7.580 14.354 1.00 0.00 ATOM 410 CA ASP 52 2.528 -6.771 13.152 1.00 0.00 ATOM 411 CB ASP 52 2.048 -5.341 13.413 1.00 0.00 ATOM 412 CG ASP 52 0.541 -5.247 13.545 1.00 0.00 ATOM 413 OD1 ASP 52 -0.149 -6.229 13.197 1.00 0.00 ATOM 414 OD2 ASP 52 0.050 -4.192 13.997 1.00 0.00 ATOM 415 O ASP 52 4.215 -6.551 11.466 1.00 0.00 ATOM 416 C ASP 52 3.972 -6.661 12.668 1.00 0.00 ATOM 417 N ARG 53 4.923 -6.695 13.604 1.00 0.00 ATOM 418 CA ARG 53 6.335 -6.628 13.231 1.00 0.00 ATOM 419 CB ARG 53 7.119 -7.207 14.598 1.00 0.00 ATOM 420 CG ARG 53 8.251 -6.463 15.295 1.00 0.00 ATOM 421 CD ARG 53 8.819 -7.320 16.444 1.00 0.00 ATOM 422 NE ARG 53 9.509 -8.494 15.893 1.00 0.00 ATOM 423 CZ ARG 53 9.835 -9.564 16.598 1.00 0.00 ATOM 424 NH1 ARG 53 9.522 -9.582 17.894 1.00 0.00 ATOM 425 NH2 ARG 53 10.457 -10.605 16.083 1.00 0.00 ATOM 426 O ARG 53 7.377 -7.760 11.375 1.00 0.00 ATOM 427 C ARG 53 6.698 -7.860 12.399 1.00 0.00 ATOM 428 N VAL 54 6.273 -9.038 12.853 1.00 0.00 ATOM 429 CA VAL 54 6.549 -10.274 12.134 1.00 0.00 ATOM 430 CB VAL 54 6.149 -11.547 12.903 1.00 0.00 ATOM 431 CG1 VAL 54 6.316 -12.775 12.024 1.00 0.00 ATOM 432 CG2 VAL 54 7.021 -11.717 14.139 1.00 0.00 ATOM 433 O VAL 54 6.347 -10.707 9.792 1.00 0.00 ATOM 434 C VAL 54 5.805 -10.281 10.810 1.00 0.00 ATOM 435 N ASP 55 4.553 -9.813 10.807 1.00 0.00 ATOM 436 CA ASP 55 3.823 -9.693 9.544 1.00 0.00 ATOM 437 CB ASP 55 2.430 -9.117 9.809 1.00 0.00 ATOM 438 CG ASP 55 1.513 -10.105 10.500 1.00 0.00 ATOM 439 OD1 ASP 55 1.865 -11.302 10.562 1.00 0.00 ATOM 440 OD2 ASP 55 0.439 -9.684 10.981 1.00 0.00 ATOM 441 O ASP 55 4.527 -9.052 7.331 1.00 0.00 ATOM 442 C ASP 55 4.526 -8.768 8.540 1.00 0.00 ATOM 443 N TRP 56 5.115 -7.673 9.025 1.00 0.00 ATOM 444 CA TRP 56 5.791 -6.701 8.167 1.00 0.00 ATOM 445 CB TRP 56 6.530 -5.657 9.026 1.00 0.00 ATOM 446 CG TRP 56 5.629 -4.616 9.599 1.00 0.00 ATOM 447 CD1 TRP 56 5.372 -4.394 10.919 1.00 0.00 ATOM 448 CD2 TRP 56 4.853 -3.661 8.867 1.00 0.00 ATOM 449 CE2 TRP 56 4.144 -2.888 9.815 1.00 0.00 ATOM 450 CE3 TRP 56 4.686 -3.376 7.505 1.00 0.00 ATOM 451 NE1 TRP 56 4.479 -3.359 11.054 1.00 0.00 ATOM 452 CZ2 TRP 56 3.276 -1.849 9.442 1.00 0.00 ATOM 453 CZ3 TRP 56 3.828 -2.344 7.133 1.00 0.00 ATOM 454 CH2 TRP 56 3.132 -1.595 8.102 1.00 0.00 ATOM 455 O TRP 56 6.890 -6.947 6.056 1.00 0.00 ATOM 456 C TRP 56 6.832 -7.321 7.235 1.00 0.00 ATOM 457 N PRO 57 7.704 -8.222 7.654 1.00 0.00 ATOM 458 CA PRO 57 8.701 -8.760 6.699 1.00 0.00 ATOM 459 CB PRO 57 9.439 -9.770 7.521 1.00 0.00 ATOM 460 CG PRO 57 9.553 -9.109 8.853 1.00 0.00 ATOM 461 CD PRO 57 8.094 -8.576 9.061 1.00 0.00 ATOM 462 O PRO 57 8.464 -9.222 4.357 1.00 0.00 ATOM 463 C PRO 57 8.047 -9.429 5.494 1.00 0.00 ATOM 464 N ALA 58 7.013 -10.242 5.719 1.00 0.00 ATOM 465 CA ALA 58 6.319 -10.930 4.640 1.00 0.00 ATOM 466 CB ALA 58 5.292 -11.909 5.187 1.00 0.00 ATOM 467 O ALA 58 5.699 -10.057 2.498 1.00 0.00 ATOM 468 C ALA 58 5.605 -9.958 3.722 1.00 0.00 ATOM 469 N VAL 59 4.891 -8.980 4.313 1.00 0.00 ATOM 470 CA VAL 59 4.156 -7.995 3.545 1.00 0.00 ATOM 471 CB VAL 59 3.427 -7.007 4.474 1.00 0.00 ATOM 472 CG1 VAL 59 2.832 -5.860 3.671 1.00 0.00 ATOM 473 CG2 VAL 59 2.301 -7.706 5.219 1.00 0.00 ATOM 474 O VAL 59 4.770 -6.888 1.502 1.00 0.00 ATOM 475 C VAL 59 5.088 -7.168 2.658 1.00 0.00 ATOM 476 N LEU 60 6.246 -6.785 3.203 1.00 0.00 ATOM 477 CA LEU 60 7.204 -5.994 2.440 1.00 0.00 ATOM 478 CB LEU 60 8.381 -5.639 3.351 1.00 0.00 ATOM 479 CG LEU 60 9.486 -4.785 2.725 1.00 0.00 ATOM 480 CD1 LEU 60 8.939 -3.438 2.277 1.00 0.00 ATOM 481 CD2 LEU 60 10.604 -4.535 3.727 1.00 0.00 ATOM 482 O LEU 60 7.811 -6.287 0.148 1.00 0.00 ATOM 483 C LEU 60 7.699 -6.816 1.238 1.00 0.00 ATOM 484 N THR 61 7.951 -8.112 1.440 1.00 0.00 ATOM 485 CA THR 61 8.421 -8.932 0.301 1.00 0.00 ATOM 486 CB THR 61 8.745 -10.373 0.739 1.00 0.00 ATOM 487 CG2 THR 61 9.201 -11.202 -0.450 1.00 0.00 ATOM 488 OG1 THR 61 9.790 -10.354 1.720 1.00 0.00 ATOM 489 O THR 61 7.599 -8.777 -1.935 1.00 0.00 ATOM 490 C THR 61 7.330 -8.990 -0.756 1.00 0.00 ATOM 491 N VAL 62 6.083 -9.219 -0.347 1.00 0.00 ATOM 492 CA VAL 62 5.053 -9.274 -1.374 1.00 0.00 ATOM 493 CB VAL 62 3.727 -9.770 -0.763 1.00 0.00 ATOM 494 CG1 VAL 62 2.600 -9.661 -1.779 1.00 0.00 ATOM 495 CG2 VAL 62 3.849 -11.224 -0.334 1.00 0.00 ATOM 496 O VAL 62 4.566 -7.905 -3.256 1.00 0.00 ATOM 497 C VAL 62 4.779 -7.947 -2.031 1.00 0.00 ATOM 498 N ALA 63 4.820 -6.845 -1.264 1.00 0.00 ATOM 499 CA ALA 63 4.548 -5.558 -1.897 1.00 0.00 ATOM 500 CB ALA 63 4.455 -4.466 -0.842 1.00 0.00 ATOM 501 O ALA 63 5.436 -4.710 -3.993 1.00 0.00 ATOM 502 C ALA 63 5.680 -5.227 -2.884 1.00 0.00 ATOM 503 N ALA 64 6.921 -5.540 -2.507 1.00 0.00 ATOM 504 CA ALA 64 8.041 -5.210 -3.403 1.00 0.00 ATOM 505 CB ALA 64 9.369 -5.519 -2.727 1.00 0.00 ATOM 506 O ALA 64 8.233 -5.482 -5.751 1.00 0.00 ATOM 507 C ALA 64 7.950 -6.016 -4.684 1.00 0.00 ATOM 508 N GLU 65 7.527 -7.287 -4.593 1.00 0.00 ATOM 509 CA GLU 65 7.384 -8.138 -5.792 1.00 0.00 ATOM 510 CB GLU 65 6.915 -9.542 -5.403 1.00 0.00 ATOM 511 CG GLU 65 6.798 -10.503 -6.575 1.00 0.00 ATOM 512 CD GLU 65 6.365 -11.892 -6.147 1.00 0.00 ATOM 513 OE1 GLU 65 6.169 -12.105 -4.931 1.00 0.00 ATOM 514 OE2 GLU 65 6.222 -12.766 -7.026 1.00 0.00 ATOM 515 O GLU 65 6.613 -7.450 -7.967 1.00 0.00 ATOM 516 C GLU 65 6.367 -7.545 -6.760 1.00 0.00 ATOM 517 N LEU 66 5.263 -7.180 -6.216 1.00 0.00 ATOM 518 CA LEU 66 4.216 -6.598 -7.042 1.00 0.00 ATOM 519 CB LEU 66 2.978 -6.299 -6.194 1.00 0.00 ATOM 520 CG LEU 66 1.797 -5.656 -6.923 1.00 0.00 ATOM 521 CD1 LEU 66 1.277 -6.572 -8.019 1.00 0.00 ATOM 522 CD2 LEU 66 0.657 -5.374 -5.957 1.00 0.00 ATOM 523 O LEU 66 4.601 -5.115 -8.889 1.00 0.00 ATOM 524 C LEU 66 4.702 -5.296 -7.665 1.00 0.00 ATOM 525 N GLY 67 5.189 -4.357 -6.888 1.00 0.00 ATOM 526 CA GLY 67 5.541 -3.055 -7.397 1.00 0.00 ATOM 527 O GLY 67 6.664 -2.419 -9.433 1.00 0.00 ATOM 528 C GLY 67 6.684 -3.114 -8.411 1.00 0.00 ATOM 529 N ASN 68 7.706 -3.900 -8.123 1.00 0.00 ATOM 530 CA ASN 68 8.794 -3.974 -9.107 1.00 0.00 ATOM 531 CB ASN 68 9.830 -4.978 -8.599 1.00 0.00 ATOM 532 CG ASN 68 10.582 -4.474 -7.383 1.00 0.00 ATOM 533 ND2 ASN 68 11.185 -5.394 -6.639 1.00 0.00 ATOM 534 OD1 ASN 68 10.619 -3.273 -7.119 1.00 0.00 ATOM 535 O ASN 68 8.764 -3.791 -11.487 1.00 0.00 ATOM 536 C ASN 68 8.356 -4.400 -10.497 1.00 0.00 ATOM 537 N ASN 69 7.473 -5.491 -10.576 1.00 0.00 ATOM 538 CA ASN 69 6.997 -5.954 -11.878 1.00 0.00 ATOM 539 CB ASN 69 6.067 -7.159 -11.710 1.00 0.00 ATOM 540 CG ASN 69 6.812 -8.422 -11.329 1.00 0.00 ATOM 541 ND2 ASN 69 6.091 -9.388 -10.774 1.00 0.00 ATOM 542 OD1 ASN 69 8.022 -8.526 -11.533 1.00 0.00 ATOM 543 O ASN 69 6.441 -4.619 -13.798 1.00 0.00 ATOM 544 C ASN 69 6.224 -4.850 -12.602 1.00 0.00 ATOM 545 N ALA 70 5.402 -4.115 -11.858 1.00 0.00 ATOM 546 CA ALA 70 4.620 -3.012 -12.418 1.00 0.00 ATOM 547 CB ALA 70 3.651 -2.469 -11.380 1.00 0.00 ATOM 548 O ALA 70 5.373 -1.300 -13.977 1.00 0.00 ATOM 549 C ALA 70 5.537 -1.856 -12.883 1.00 0.00 ATOM 550 N LEU 71 6.520 -1.496 -12.065 1.00 0.00 ATOM 551 CA LEU 71 7.449 -0.436 -12.408 1.00 0.00 ATOM 552 CB LEU 71 8.347 -0.106 -11.213 1.00 0.00 ATOM 553 CG LEU 71 7.654 0.496 -9.990 1.00 0.00 ATOM 554 CD1 LEU 71 8.637 0.655 -8.839 1.00 0.00 ATOM 555 CD2 LEU 71 7.081 1.867 -10.317 1.00 0.00 ATOM 556 O LEU 71 8.810 -1.978 -13.605 1.00 0.00 ATOM 557 C LEU 71 8.339 -0.823 -13.582 1.00 0.00 ATOM 558 N PRO 72 8.503 0.046 -14.578 1.00 0.00 ATOM 559 CA PRO 72 9.313 -0.213 -15.750 1.00 0.00 ATOM 560 CB PRO 72 8.971 0.952 -16.702 1.00 0.00 ATOM 561 CG PRO 72 8.590 2.089 -15.787 1.00 0.00 ATOM 562 CD PRO 72 7.869 1.400 -14.627 1.00 0.00 ATOM 563 O PRO 72 11.379 0.742 -14.981 1.00 0.00 ATOM 564 C PRO 72 10.767 -0.232 -15.400 1.00 0.00 ATOM 565 N PRO 73 11.394 -1.393 -15.579 1.00 0.00 ATOM 566 CA PRO 73 12.818 -1.540 -15.177 1.00 0.00 ATOM 567 CB PRO 73 13.081 -3.043 -15.281 1.00 0.00 ATOM 568 CG PRO 73 12.076 -3.531 -16.271 1.00 0.00 ATOM 569 CD PRO 73 10.845 -2.695 -16.061 1.00 0.00 ATOM 570 O PRO 73 14.907 -0.537 -15.660 1.00 0.00 ATOM 571 C PRO 73 13.771 -0.772 -16.070 1.00 0.00 ATOM 572 N THR 74 13.201 -0.246 -17.252 1.00 0.00 ATOM 573 CA THR 74 14.105 0.428 -18.168 1.00 0.00 ATOM 574 CB THR 74 13.650 0.268 -19.630 1.00 0.00 ATOM 575 CG2 THR 74 13.603 -1.203 -20.016 1.00 0.00 ATOM 576 OG1 THR 74 12.342 0.831 -19.790 1.00 0.00 ATOM 577 O THR 74 15.038 2.597 -18.486 1.00 0.00 ATOM 578 C THR 74 14.220 1.920 -17.872 1.00 0.00 ATOM 579 N LYS 75 13.425 2.446 -16.967 1.00 0.00 ATOM 580 CA LYS 75 13.499 3.854 -16.555 1.00 0.00 ATOM 581 CB LYS 75 12.536 4.680 -17.387 1.00 0.00 ATOM 582 CG LYS 75 12.855 4.897 -18.845 1.00 0.00 ATOM 583 CD LYS 75 14.229 5.431 -18.915 1.00 0.00 ATOM 584 CE LYS 75 14.587 5.991 -20.277 1.00 0.00 ATOM 585 NZ LYS 75 16.025 6.244 -20.308 1.00 0.00 ATOM 586 O LYS 75 12.529 3.051 -14.549 1.00 0.00 ATOM 587 C LYS 75 13.195 3.924 -15.082 1.00 0.00 ATOM 588 N PRO 76 13.622 4.979 -14.402 1.00 0.00 ATOM 589 CA PRO 76 13.235 5.131 -13.001 1.00 0.00 ATOM 590 CB PRO 76 13.764 6.516 -12.620 1.00 0.00 ATOM 591 CG PRO 76 14.918 6.741 -13.537 1.00 0.00 ATOM 592 CD PRO 76 14.521 6.146 -14.860 1.00 0.00 ATOM 593 O PRO 76 10.940 5.636 -13.657 1.00 0.00 ATOM 594 C PRO 76 11.716 5.043 -12.874 1.00 0.00 ATOM 595 N SER 77 11.296 4.308 -11.873 1.00 0.00 ATOM 596 CA SER 77 9.886 4.146 -11.562 1.00 0.00 ATOM 597 CB SER 77 9.346 2.860 -12.192 1.00 0.00 ATOM 598 OG SER 77 7.973 2.683 -11.887 1.00 0.00 ATOM 599 O SER 77 10.445 3.319 -9.383 1.00 0.00 ATOM 600 C SER 77 9.728 4.075 -10.064 1.00 0.00 ATOM 601 N PHE 78 8.767 4.818 -9.555 1.00 0.00 ATOM 602 CA PHE 78 8.509 4.875 -8.110 1.00 0.00 ATOM 603 CB PHE 78 9.037 6.188 -7.523 1.00 0.00 ATOM 604 CG PHE 78 10.518 6.373 -7.688 1.00 0.00 ATOM 605 CD1 PHE 78 11.022 7.183 -8.688 1.00 0.00 ATOM 606 CD2 PHE 78 11.407 5.735 -6.840 1.00 0.00 ATOM 607 CE1 PHE 78 12.385 7.354 -8.839 1.00 0.00 ATOM 608 CE2 PHE 78 12.771 5.906 -6.991 1.00 0.00 ATOM 609 CZ PHE 78 13.261 6.712 -7.985 1.00 0.00 ATOM 610 O PHE 78 6.408 5.821 -7.424 1.00 0.00 ATOM 611 C PHE 78 7.065 4.806 -7.591 1.00 0.00 ATOM 612 N PRO 79 6.602 3.631 -7.322 1.00 0.00 ATOM 613 CA PRO 79 5.230 3.480 -6.830 1.00 0.00 ATOM 614 CB PRO 79 4.844 2.062 -7.278 1.00 0.00 ATOM 615 CG PRO 79 6.149 1.282 -7.240 1.00 0.00 ATOM 616 CD PRO 79 7.274 2.310 -7.448 1.00 0.00 ATOM 617 O PRO 79 5.846 3.113 -4.540 1.00 0.00 ATOM 618 C PRO 79 5.078 3.683 -5.334 1.00 0.00 ATOM 619 N SER 80 4.146 4.554 -4.940 1.00 0.00 ATOM 620 CA SER 80 3.947 4.811 -3.519 1.00 0.00 ATOM 621 CB SER 80 3.123 6.038 -3.271 1.00 0.00 ATOM 622 OG SER 80 1.783 5.882 -3.768 1.00 0.00 ATOM 623 O SER 80 3.464 3.642 -1.545 1.00 0.00 ATOM 624 C SER 80 3.378 3.634 -2.768 1.00 0.00 ATOM 625 N SER 81 2.831 2.650 -3.476 1.00 0.00 ATOM 626 CA SER 81 2.280 1.507 -2.754 1.00 0.00 ATOM 627 CB SER 81 1.501 0.600 -3.708 1.00 0.00 ATOM 628 OG SER 81 2.364 -0.012 -4.651 1.00 0.00 ATOM 629 O SER 81 3.026 -0.096 -1.195 1.00 0.00 ATOM 630 C SER 81 3.369 0.677 -2.104 1.00 0.00 ATOM 631 N ILE 82 4.768 0.690 -2.687 1.00 0.00 ATOM 632 CA ILE 82 5.860 -0.114 -2.177 1.00 0.00 ATOM 633 CB ILE 82 7.176 0.184 -2.919 1.00 0.00 ATOM 634 CG1 ILE 82 7.067 -0.230 -4.388 1.00 0.00 ATOM 635 CG2 ILE 82 8.330 -0.579 -2.286 1.00 0.00 ATOM 636 CD1 ILE 82 8.235 0.220 -5.238 1.00 0.00 ATOM 637 O ILE 82 6.146 1.332 -0.314 1.00 0.00 ATOM 638 C ILE 82 6.067 0.181 -0.692 1.00 0.00 ATOM 639 N GLN 83 6.165 -0.882 0.097 1.00 0.00 ATOM 640 CA GLN 83 6.496 -0.754 1.507 1.00 0.00 ATOM 641 CB GLN 83 6.544 -2.129 2.174 1.00 0.00 ATOM 642 CG GLN 83 6.720 -2.082 3.683 1.00 0.00 ATOM 643 CD GLN 83 5.563 -1.397 4.383 1.00 0.00 ATOM 644 OE1 GLN 83 4.400 -1.653 4.077 1.00 0.00 ATOM 645 NE2 GLN 83 5.881 -0.519 5.328 1.00 0.00 ATOM 646 O GLN 83 8.081 0.676 2.592 1.00 0.00 ATOM 647 C GLN 83 7.857 -0.087 1.656 1.00 0.00 ATOM 648 N GLU 84 8.758 -0.359 0.716 1.00 0.00 ATOM 649 CA GLU 84 10.086 0.242 0.755 1.00 0.00 ATOM 650 CB GLU 84 10.966 -0.329 -0.358 1.00 0.00 ATOM 651 CG GLU 84 11.365 -1.781 -0.151 1.00 0.00 ATOM 652 CD GLU 84 12.131 -2.349 -1.330 1.00 0.00 ATOM 653 OE1 GLU 84 12.286 -1.630 -2.339 1.00 0.00 ATOM 654 OE2 GLU 84 12.575 -3.514 -1.244 1.00 0.00 ATOM 655 O GLU 84 10.628 2.526 1.256 1.00 0.00 ATOM 656 C GLU 84 9.944 1.752 0.589 1.00 0.00 ATOM 657 N LEU 85 9.040 2.168 -0.302 1.00 0.00 ATOM 658 CA LEU 85 8.815 3.587 -0.542 1.00 0.00 ATOM 659 CB LEU 85 7.817 3.875 -1.548 1.00 0.00 ATOM 660 CG LEU 85 7.523 5.337 -1.817 1.00 0.00 ATOM 661 CD1 LEU 85 8.804 6.117 -2.230 1.00 0.00 ATOM 662 CD2 LEU 85 6.424 5.434 -2.897 1.00 0.00 ATOM 663 O LEU 85 8.617 5.337 1.116 1.00 0.00 ATOM 664 C LEU 85 8.223 4.242 0.697 1.00 0.00 ATOM 665 N THR 86 7.238 3.549 1.317 1.00 0.00 ATOM 666 CA THR 86 6.495 4.108 2.447 1.00 0.00 ATOM 667 CB THR 86 5.354 3.157 2.854 1.00 0.00 ATOM 668 CG2 THR 86 4.323 3.057 1.742 1.00 0.00 ATOM 669 OG1 THR 86 5.886 1.852 3.113 1.00 0.00 ATOM 670 O THR 86 7.346 5.238 4.374 1.00 0.00 ATOM 671 C THR 86 7.403 4.233 3.660 1.00 0.00 ATOM 672 N ASP 87 8.264 3.259 3.854 1.00 0.00 ATOM 673 CA ASP 87 9.163 3.300 4.997 1.00 0.00 ATOM 674 CB ASP 87 9.968 2.002 5.093 1.00 0.00 ATOM 675 CG ASP 87 9.130 0.831 5.563 1.00 0.00 ATOM 676 OD1 ASP 87 8.002 1.063 6.047 1.00 0.00 ATOM 677 OD2 ASP 87 9.600 -0.321 5.447 1.00 0.00 ATOM 678 O ASP 87 10.434 5.158 5.820 1.00 0.00 ATOM 679 C ASP 87 10.134 4.469 4.852 1.00 0.00 ATOM 680 N ASP 88 10.575 4.706 3.613 1.00 0.00 ATOM 681 CA ASP 88 11.527 5.789 3.418 1.00 0.00 ATOM 682 CB ASP 88 12.068 5.776 1.987 1.00 0.00 ATOM 683 CG ASP 88 13.023 4.625 1.737 1.00 0.00 ATOM 684 OD1 ASP 88 13.458 3.988 2.719 1.00 0.00 ATOM 685 OD2 ASP 88 13.336 4.359 0.556 1.00 0.00 ATOM 686 O ASP 88 11.522 8.033 4.318 1.00 0.00 ATOM 687 C ASP 88 10.932 7.182 3.651 1.00 0.00 ATOM 688 N ASP 89 9.762 7.407 3.075 1.00 0.00 ATOM 689 CA ASP 89 9.086 8.692 3.219 1.00 0.00 ATOM 690 CB ASP 89 7.798 8.713 2.395 1.00 0.00 ATOM 691 CG ASP 89 8.060 8.808 0.905 1.00 0.00 ATOM 692 OD1 ASP 89 9.214 9.093 0.521 1.00 0.00 ATOM 693 OD2 ASP 89 7.111 8.597 0.120 1.00 0.00 ATOM 694 O ASP 89 8.907 9.982 5.273 1.00 0.00 ATOM 695 C ASP 89 8.748 8.890 4.713 1.00 0.00 ATOM 696 N MET 90 8.405 7.792 5.380 1.00 0.00 ATOM 697 CA MET 90 8.084 7.886 6.802 1.00 0.00 ATOM 698 CB MET 90 8.049 6.254 7.245 1.00 0.00 ATOM 699 CG MET 90 7.127 5.755 8.332 1.00 0.00 ATOM 700 SD MET 90 7.302 3.985 8.497 1.00 0.00 ATOM 701 CE MET 90 9.050 3.866 8.657 1.00 0.00 ATOM 702 O MET 90 9.213 9.072 8.576 1.00 0.00 ATOM 703 C MET 90 9.282 8.271 7.624 1.00 0.00 ATOM 704 N ALA 91 10.430 7.705 7.275 1.00 0.00 ATOM 705 CA ALA 91 11.633 8.017 8.016 1.00 0.00 ATOM 706 CB ALA 91 12.796 7.172 7.520 1.00 0.00 ATOM 707 O ALA 91 12.357 10.155 8.853 1.00 0.00 ATOM 708 C ALA 91 11.997 9.496 7.877 1.00 0.00 ATOM 709 N ILE 92 11.909 10.000 6.654 1.00 0.00 ATOM 710 CA ILE 92 12.229 11.398 6.395 1.00 0.00 ATOM 711 CB ILE 92 12.167 11.748 4.896 1.00 0.00 ATOM 712 CG1 ILE 92 13.293 11.045 4.137 1.00 0.00 ATOM 713 CG2 ILE 92 12.310 13.248 4.692 1.00 0.00 ATOM 714 CD1 ILE 92 13.152 11.116 2.632 1.00 0.00 ATOM 715 O ILE 92 11.677 13.263 7.801 1.00 0.00 ATOM 716 C ILE 92 11.261 12.324 7.127 1.00 0.00 ATOM 717 N LEU 93 9.979 12.051 6.995 1.00 0.00 ATOM 718 CA LEU 93 8.983 12.883 7.658 1.00 0.00 ATOM 719 CB LEU 93 7.569 12.433 7.281 1.00 0.00 ATOM 720 CG LEU 93 7.156 12.649 5.824 1.00 0.00 ATOM 721 CD1 LEU 93 5.797 12.022 5.552 1.00 0.00 ATOM 722 CD2 LEU 93 7.068 14.133 5.503 1.00 0.00 ATOM 723 O LEU 93 8.857 13.800 9.867 1.00 0.00 ATOM 724 C LEU 93 9.108 12.818 9.189 1.00 0.00 ATOM 725 N ASN 94 9.484 11.646 9.706 1.00 0.00 ATOM 726 CA ASN 94 9.641 11.470 11.150 1.00 0.00 ATOM 727 CB ASN 94 10.619 10.071 11.234 1.00 0.00 ATOM 728 CG ASN 94 10.291 8.944 12.250 1.00 0.00 ATOM 729 ND2 ASN 94 9.268 8.186 11.960 1.00 0.00 ATOM 730 OD1 ASN 94 10.953 8.802 13.299 1.00 0.00 ATOM 731 O ASN 94 10.469 13.010 12.779 1.00 0.00 ATOM 732 C ASN 94 10.680 12.406 11.721 1.00 0.00 ATOM 733 N ASP 95 11.811 12.548 11.033 1.00 0.00 ATOM 734 CA ASP 95 12.847 13.418 11.570 1.00 0.00 ATOM 735 CB ASP 95 14.111 13.339 10.712 1.00 0.00 ATOM 736 CG ASP 95 14.857 12.032 10.893 1.00 0.00 ATOM 737 OD1 ASP 95 14.542 11.295 11.852 1.00 0.00 ATOM 738 OD2 ASP 95 15.757 11.743 10.077 1.00 0.00 ATOM 739 O ASP 95 12.566 15.544 12.645 1.00 0.00 ATOM 740 C ASP 95 12.400 14.873 11.625 1.00 0.00 ATOM 741 N LEU 96 11.778 15.324 10.565 1.00 0.00 ATOM 742 CA LEU 96 11.334 16.708 10.503 1.00 0.00 ATOM 743 CB LEU 96 10.847 17.059 9.095 1.00 0.00 ATOM 744 CG LEU 96 11.913 17.089 7.998 1.00 0.00 ATOM 745 CD1 LEU 96 11.271 17.272 6.631 1.00 0.00 ATOM 746 CD2 LEU 96 12.887 18.236 8.223 1.00 0.00 ATOM 747 O LEU 96 10.221 17.997 12.182 1.00 0.00 ATOM 748 C LEU 96 10.204 16.982 11.486 1.00 0.00 ATOM 749 N HIS 97 9.222 16.093 11.511 1.00 0.00 ATOM 750 CA HIS 97 8.108 16.309 12.426 1.00 0.00 ATOM 751 CB HIS 97 6.981 15.252 12.118 1.00 0.00 ATOM 752 CG HIS 97 6.052 15.621 10.998 1.00 0.00 ATOM 753 CD2 HIS 97 4.823 16.190 11.016 1.00 0.00 ATOM 754 ND1 HIS 97 6.365 15.424 9.670 1.00 0.00 ATOM 755 CE1 HIS 97 5.367 15.855 8.917 1.00 0.00 ATOM 756 NE2 HIS 97 4.421 16.325 9.708 1.00 0.00 ATOM 757 O HIS 97 8.017 17.039 14.700 1.00 0.00 ATOM 758 C HIS 97 8.541 16.269 13.885 1.00 0.00 ATOM 759 N THR 98 9.518 15.416 14.189 1.00 0.00 ATOM 760 CA THR 98 10.070 15.315 15.557 1.00 0.00 ATOM 761 CB THR 98 11.103 14.179 15.667 1.00 0.00 ATOM 762 CG2 THR 98 11.683 14.119 17.071 1.00 0.00 ATOM 763 OG1 THR 98 10.473 12.925 15.371 1.00 0.00 ATOM 764 O THR 98 10.507 17.208 16.949 1.00 0.00 ATOM 765 C THR 98 10.745 16.639 15.897 1.00 0.00 ATOM 766 N LEU 99 11.430 17.242 14.953 1.00 0.00 ATOM 767 CA LEU 99 12.073 18.536 15.164 1.00 0.00 ATOM 768 CB LEU 99 13.006 18.865 13.998 1.00 0.00 ATOM 769 CG LEU 99 14.266 18.007 13.874 1.00 0.00 ATOM 770 CD1 LEU 99 15.005 18.320 12.582 1.00 0.00 ATOM 771 CD2 LEU 99 15.211 18.265 15.037 1.00 0.00 ATOM 772 O LEU 99 11.099 20.466 16.212 1.00 0.00 ATOM 773 C LEU 99 11.019 19.630 15.312 1.00 0.00 ATOM 774 N LEU 100 10.030 19.647 14.404 1.00 0.00 ATOM 775 CA LEU 100 8.967 20.645 14.432 1.00 0.00 ATOM 776 CB LEU 100 8.031 20.451 13.239 1.00 0.00 ATOM 777 CG LEU 100 8.644 20.667 11.854 1.00 0.00 ATOM 778 CD1 LEU 100 7.642 20.326 10.762 1.00 0.00 ATOM 779 CD2 LEU 100 9.067 22.117 11.674 1.00 0.00 ATOM 780 O LEU 100 7.463 21.595 16.029 1.00 0.00 ATOM 781 C LEU 100 8.117 20.605 15.694 1.00 0.00 ATOM 782 N LEU 101 8.152 19.283 16.362 1.00 0.00 ATOM 783 CA LEU 101 7.382 19.125 17.601 1.00 0.00 ATOM 784 CB LEU 101 6.439 17.925 17.497 1.00 0.00 ATOM 785 CG LEU 101 5.380 17.989 16.392 1.00 0.00 ATOM 786 CD1 LEU 101 4.590 16.690 16.330 1.00 0.00 ATOM 787 CD2 LEU 101 4.405 19.127 16.648 1.00 0.00 ATOM 788 O LEU 101 7.793 18.564 19.899 1.00 0.00 ATOM 789 C LEU 101 8.271 18.942 18.828 1.00 0.00 ATOM 790 N GLN 102 9.536 19.188 18.688 1.00 0.00 ATOM 791 CA GLN 102 10.486 19.071 19.788 1.00 0.00 ATOM 792 CB GLN 102 10.188 20.090 20.889 1.00 0.00 ATOM 793 CG GLN 102 10.314 21.538 20.446 1.00 0.00 ATOM 794 CD GLN 102 10.043 22.518 21.569 1.00 0.00 ATOM 795 OE1 GLN 102 9.915 22.127 22.729 1.00 0.00 ATOM 796 NE2 GLN 102 9.950 23.799 21.228 1.00 0.00 ATOM 797 O GLN 102 10.531 17.574 21.658 1.00 0.00 ATOM 798 C GLN 102 10.460 17.694 20.436 1.00 0.00 ATOM 799 N THR 103 10.278 16.702 19.682 1.00 0.00 ATOM 800 CA THR 103 10.250 15.338 20.182 1.00 0.00 ATOM 801 CB THR 103 11.335 15.098 21.272 1.00 0.00 ATOM 802 CG2 THR 103 12.643 15.767 20.885 1.00 0.00 ATOM 803 OG1 THR 103 10.909 15.704 22.507 1.00 0.00 ATOM 804 O THR 103 8.755 13.636 20.934 1.00 0.00 ATOM 805 C THR 103 8.907 14.835 20.704 1.00 0.00 ATOM 806 N SER 104 7.860 15.740 20.956 1.00 0.00 ATOM 807 CA SER 104 6.589 15.228 21.472 1.00 0.00 ATOM 808 CB SER 104 5.505 16.276 21.216 1.00 0.00 ATOM 809 OG SER 104 5.712 17.428 22.014 1.00 0.00 ATOM 810 O SER 104 5.640 13.012 21.382 1.00 0.00 ATOM 811 C SER 104 6.166 13.959 20.758 1.00 0.00 ATOM 812 N ILE 105 6.390 13.942 19.446 1.00 0.00 ATOM 813 CA ILE 105 6.097 12.793 18.612 1.00 0.00 ATOM 814 CB ILE 105 5.282 13.193 17.367 1.00 0.00 ATOM 815 CG1 ILE 105 3.996 13.911 17.779 1.00 0.00 ATOM 816 CG2 ILE 105 4.908 11.960 16.557 1.00 0.00 ATOM 817 CD1 ILE 105 3.081 13.074 18.647 1.00 0.00 ATOM 818 O ILE 105 8.210 12.847 17.491 1.00 0.00 ATOM 819 C ILE 105 7.405 12.199 18.180 1.00 0.00 ATOM 820 N ALA 106 7.569 10.918 18.478 1.00 0.00 ATOM 821 CA ALA 106 8.826 10.246 18.181 1.00 0.00 ATOM 822 CB ALA 106 9.020 9.053 19.103 1.00 0.00 ATOM 823 O ALA 106 10.049 9.506 16.262 1.00 0.00 ATOM 824 C ALA 106 8.945 9.689 16.767 1.00 0.00 ATOM 825 N GLU 107 7.830 9.486 16.122 1.00 0.00 ATOM 826 CA GLU 107 7.850 8.950 14.765 1.00 0.00 ATOM 827 CB GLU 107 7.937 7.400 14.841 1.00 0.00 ATOM 828 CG GLU 107 9.185 6.882 15.555 1.00 0.00 ATOM 829 CD GLU 107 9.437 5.371 15.289 1.00 0.00 ATOM 830 OE1 GLU 107 8.917 4.859 14.258 1.00 0.00 ATOM 831 OE2 GLU 107 10.155 4.715 16.088 1.00 0.00 ATOM 832 O GLU 107 5.575 9.529 14.451 1.00 0.00 ATOM 833 C GLU 107 6.653 9.227 13.919 1.00 0.00 ATOM 834 N GLY 108 6.892 9.277 12.603 1.00 0.00 ATOM 835 CA GLY 108 5.847 9.389 11.591 1.00 0.00 ATOM 836 O GLY 108 6.928 7.580 10.435 1.00 0.00 ATOM 837 C GLY 108 5.873 8.022 10.893 1.00 0.00 ATOM 838 N GLU 109 4.724 7.360 10.853 1.00 0.00 ATOM 839 CA GLU 109 4.596 6.054 10.207 1.00 0.00 ATOM 840 CB GLU 109 3.777 5.102 11.080 1.00 0.00 ATOM 841 CG GLU 109 4.448 4.725 12.390 1.00 0.00 ATOM 842 CD GLU 109 3.586 3.823 13.250 1.00 0.00 ATOM 843 OE1 GLU 109 2.450 3.513 12.833 1.00 0.00 ATOM 844 OE2 GLU 109 4.046 3.425 14.341 1.00 0.00 ATOM 845 O GLU 109 2.863 6.970 8.837 1.00 0.00 ATOM 846 C GLU 109 3.889 6.293 8.890 1.00 0.00 ATOM 847 N MET 110 4.479 5.764 7.817 1.00 0.00 ATOM 848 CA MET 110 3.945 5.966 6.478 1.00 0.00 ATOM 849 CB MET 110 5.027 6.535 5.561 1.00 0.00 ATOM 850 CG MET 110 4.594 6.693 4.112 1.00 0.00 ATOM 851 SD MET 110 3.285 7.917 3.907 1.00 0.00 ATOM 852 CE MET 110 4.202 9.436 4.148 1.00 0.00 ATOM 853 O MET 110 4.225 3.682 5.835 1.00 0.00 ATOM 854 C MET 110 3.461 4.637 5.909 1.00 0.00 ATOM 855 N LYS 111 2.202 4.595 5.502 1.00 0.00 ATOM 856 CA LYS 111 1.654 3.381 4.912 1.00 0.00 ATOM 857 CB LYS 111 0.606 2.761 5.838 1.00 0.00 ATOM 858 CG LYS 111 1.161 2.275 7.167 1.00 0.00 ATOM 859 CD LYS 111 0.062 1.712 8.051 1.00 0.00 ATOM 860 CE LYS 111 0.615 1.237 9.386 1.00 0.00 ATOM 861 NZ LYS 111 -0.435 0.603 10.228 1.00 0.00 ATOM 862 O LYS 111 0.853 4.902 3.240 1.00 0.00 ATOM 863 C LYS 111 1.010 3.730 3.581 1.00 0.00 ATOM 864 N CYS 112 0.724 2.716 2.780 1.00 0.00 ATOM 865 CA CYS 112 0.105 2.955 1.488 1.00 0.00 ATOM 866 CB CYS 112 1.086 2.591 0.333 1.00 0.00 ATOM 867 SG CYS 112 0.317 2.521 -1.327 1.00 0.00 ATOM 868 O CYS 112 -1.317 1.051 1.209 1.00 0.00 ATOM 869 C CYS 112 -1.241 2.254 1.472 1.00 0.00 ATOM 870 N ARG 113 -2.288 3.000 1.815 1.00 0.00 ATOM 871 CA ARG 113 -3.649 2.474 1.841 1.00 0.00 ATOM 872 CB ARG 113 -4.582 3.438 2.575 1.00 0.00 ATOM 873 CG ARG 113 -5.997 2.914 2.759 1.00 0.00 ATOM 874 CD ARG 113 -6.879 3.937 3.457 1.00 0.00 ATOM 875 NE ARG 113 -8.174 3.376 3.834 1.00 0.00 ATOM 876 CZ ARG 113 -9.122 4.051 4.476 1.00 0.00 ATOM 877 NH1 ARG 113 -10.269 3.458 4.778 1.00 0.00 ATOM 878 NH2 ARG 113 -8.920 5.316 4.816 1.00 0.00 ATOM 879 O ARG 113 -4.730 3.208 -0.178 1.00 0.00 ATOM 880 C ARG 113 -4.116 2.306 0.396 1.00 0.00 ATOM 881 N ASN 114 -3.793 1.152 -0.186 1.00 0.00 ATOM 882 CA ASN 114 -4.145 0.827 -1.568 1.00 0.00 ATOM 883 CB ASN 114 -5.666 0.783 -1.725 1.00 0.00 ATOM 884 CG ASN 114 -6.098 0.116 -3.018 1.00 0.00 ATOM 885 ND2 ASN 114 -7.298 0.449 -3.481 1.00 0.00 ATOM 886 OD1 ASN 114 -5.362 -0.690 -3.588 1.00 0.00 ATOM 887 O ASN 114 -4.329 2.500 -3.291 1.00 0.00 ATOM 888 C ASN 114 -3.587 1.876 -2.528 1.00 0.00 ATOM 889 N CYS 115 -2.195 2.077 -2.435 1.00 0.00 ATOM 890 CA CYS 115 -1.468 3.051 -3.246 1.00 0.00 ATOM 891 CB CYS 115 -1.467 2.623 -4.738 1.00 0.00 ATOM 892 SG CYS 115 -0.871 0.922 -4.992 1.00 0.00 ATOM 893 O CYS 115 -2.593 5.028 -4.050 1.00 0.00 ATOM 894 C CYS 115 -2.053 4.454 -3.104 1.00 0.00 ATOM 895 N GLY 116 -2.014 4.939 -1.867 1.00 0.00 ATOM 896 CA GLY 116 -2.503 6.259 -1.489 1.00 0.00 ATOM 897 O GLY 116 -2.515 6.055 0.906 1.00 0.00 ATOM 898 C GLY 116 -1.920 6.461 -0.096 1.00 0.00 ATOM 899 N HIS 117 -1.130 6.840 3.252 1.00 0.00 ATOM 900 CA HIS 117 -1.609 7.554 4.444 1.00 0.00 ATOM 901 CB HIS 117 -1.974 6.472 5.431 1.00 0.00 ATOM 902 CG HIS 117 -3.452 6.478 5.144 1.00 0.00 ATOM 903 CD2 HIS 117 -4.137 5.860 4.156 1.00 0.00 ATOM 904 ND1 HIS 117 -4.361 7.217 5.848 1.00 0.00 ATOM 905 CE1 HIS 117 -5.562 7.026 5.320 1.00 0.00 ATOM 906 NE2 HIS 117 -5.455 6.219 4.293 1.00 0.00 ATOM 907 O HIS 117 0.554 7.190 5.443 1.00 0.00 ATOM 908 C HIS 117 -0.400 7.957 5.289 1.00 0.00 ATOM 909 N ILE 118 -0.335 9.172 6.584 1.00 0.00 ATOM 910 CA ILE 118 0.564 9.350 7.720 1.00 0.00 ATOM 911 CB ILE 118 1.273 10.746 7.619 1.00 0.00 ATOM 912 CG1 ILE 118 1.980 10.901 6.272 1.00 0.00 ATOM 913 CG2 ILE 118 2.244 10.950 8.770 1.00 0.00 ATOM 914 CD1 ILE 118 2.408 12.330 5.976 1.00 0.00 ATOM 915 O ILE 118 -1.192 9.690 9.320 1.00 0.00 ATOM 916 C ILE 118 -0.075 9.212 9.090 1.00 0.00 ATOM 917 N TYR 119 0.586 8.507 9.829 1.00 0.00 ATOM 918 CA TYR 119 0.173 8.338 11.213 1.00 0.00 ATOM 919 CB TYR 119 -0.081 6.846 11.444 1.00 0.00 ATOM 920 CG TYR 119 -1.145 6.260 10.544 1.00 0.00 ATOM 921 CD1 TYR 119 -0.808 5.695 9.320 1.00 0.00 ATOM 922 CD2 TYR 119 -2.482 6.272 10.921 1.00 0.00 ATOM 923 CE1 TYR 119 -1.773 5.157 8.490 1.00 0.00 ATOM 924 CE2 TYR 119 -3.461 5.738 10.104 1.00 0.00 ATOM 925 CZ TYR 119 -3.096 5.178 8.880 1.00 0.00 ATOM 926 OH TYR 119 -4.058 4.642 8.056 1.00 0.00 ATOM 927 O TYR 119 2.455 8.921 11.608 1.00 0.00 ATOM 928 C TYR 119 1.326 8.829 12.069 1.00 0.00 ATOM 929 N TYR 120 1.060 9.142 13.335 1.00 0.00 ATOM 930 CA TYR 120 2.112 9.637 14.204 1.00 0.00 ATOM 931 CB TYR 120 1.792 11.059 14.666 1.00 0.00 ATOM 932 CG TYR 120 1.749 12.073 13.545 1.00 0.00 ATOM 933 CD1 TYR 120 0.560 12.345 12.879 1.00 0.00 ATOM 934 CD2 TYR 120 2.894 12.754 13.157 1.00 0.00 ATOM 935 CE1 TYR 120 0.511 13.270 11.853 1.00 0.00 ATOM 936 CE2 TYR 120 2.863 13.683 12.132 1.00 0.00 ATOM 937 CZ TYR 120 1.657 13.936 11.481 1.00 0.00 ATOM 938 OH TYR 120 1.610 14.857 10.459 1.00 0.00 ATOM 939 O TYR 120 1.312 8.111 15.876 1.00 0.00 ATOM 940 C TYR 120 2.267 8.755 15.448 1.00 0.00 ATOM 941 N ILE 121 3.455 8.752 16.032 1.00 0.00 ATOM 942 CA ILE 121 3.695 7.940 17.228 1.00 0.00 ATOM 943 CB ILE 121 4.960 7.074 17.078 1.00 0.00 ATOM 944 CG1 ILE 121 4.807 6.105 15.904 1.00 0.00 ATOM 945 CG2 ILE 121 5.202 6.265 18.344 1.00 0.00 ATOM 946 CD1 ILE 121 6.083 5.378 15.542 1.00 0.00 ATOM 947 O ILE 121 4.747 9.708 18.416 1.00 0.00 ATOM 948 C ILE 121 3.883 8.855 18.410 1.00 0.00 ATOM 949 N LYS 122 3.111 8.597 19.463 1.00 0.00 ATOM 950 CA LYS 122 3.142 9.406 20.661 1.00 0.00 ATOM 951 CB LYS 122 1.887 10.277 20.736 1.00 0.00 ATOM 952 CG LYS 122 1.886 11.263 21.893 1.00 0.00 ATOM 953 CD LYS 122 0.656 12.155 21.857 1.00 0.00 ATOM 954 CE LYS 122 0.605 13.076 23.065 1.00 0.00 ATOM 955 NZ LYS 122 -0.569 13.989 23.019 1.00 0.00 ATOM 956 O LYS 122 2.322 7.542 21.903 1.00 0.00 ATOM 957 C LYS 122 3.194 8.392 21.803 1.00 0.00 ATOM 958 N ASN 123 4.172 8.567 22.684 1.00 0.00 ATOM 959 CA ASN 123 4.325 7.671 23.827 1.00 0.00 ATOM 960 CB ASN 123 3.211 7.912 24.847 1.00 0.00 ATOM 961 CG ASN 123 3.292 9.284 25.486 1.00 0.00 ATOM 962 ND2 ASN 123 2.146 9.812 25.901 1.00 0.00 ATOM 963 OD1 ASN 123 4.373 9.862 25.605 1.00 0.00 ATOM 964 O ASN 123 3.601 5.391 24.168 1.00 0.00 ATOM 965 C ASN 123 4.239 6.187 23.471 1.00 0.00 ATOM 966 N GLY 124 4.902 5.859 22.381 1.00 0.00 ATOM 967 CA GLY 124 4.936 4.477 21.935 1.00 0.00 ATOM 968 O GLY 124 3.747 2.695 20.887 1.00 0.00 ATOM 969 C GLY 124 3.763 3.888 21.182 1.00 0.00 ATOM 970 N ILE 125 2.674 4.746 20.972 1.00 0.00 ATOM 971 CA ILE 125 1.522 4.284 20.191 1.00 0.00 ATOM 972 CB ILE 125 0.210 4.423 20.983 1.00 0.00 ATOM 973 CG1 ILE 125 0.259 3.569 22.252 1.00 0.00 ATOM 974 CG2 ILE 125 -0.973 3.969 20.141 1.00 0.00 ATOM 975 CD1 ILE 125 -0.878 3.836 23.213 1.00 0.00 ATOM 976 O ILE 125 1.463 6.315 18.906 1.00 0.00 ATOM 977 C ILE 125 1.354 5.085 18.901 1.00 0.00 ATOM 978 N PRO 126 1.035 4.383 17.822 1.00 0.00 ATOM 979 CA PRO 126 0.787 5.027 16.540 1.00 0.00 ATOM 980 CB PRO 126 1.298 4.011 15.515 1.00 0.00 ATOM 981 CG PRO 126 1.087 2.686 16.164 1.00 0.00 ATOM 982 CD PRO 126 1.239 2.914 17.642 1.00 0.00 ATOM 983 O PRO 126 -1.495 4.411 16.608 1.00 0.00 ATOM 984 C PRO 126 -0.674 5.300 16.389 1.00 0.00 ATOM 985 N ASN 127 -1.020 6.555 16.089 1.00 0.00 ATOM 986 CA ASN 127 -2.399 6.918 15.836 1.00 0.00 ATOM 987 CB ASN 127 -2.938 7.817 16.950 1.00 0.00 ATOM 988 CG ASN 127 -2.963 7.122 18.297 1.00 0.00 ATOM 989 ND2 ASN 127 -2.059 7.521 19.184 1.00 0.00 ATOM 990 OD1 ASN 127 -3.788 6.239 18.537 1.00 0.00 ATOM 991 O ASN 127 -1.661 8.486 14.209 1.00 0.00 ATOM 992 C ASN 127 -2.527 7.664 14.527 1.00 0.00 ATOM 993 N LEU 128 -3.638 7.462 13.832 1.00 0.00 ATOM 994 CA LEU 128 -3.952 8.247 12.650 1.00 0.00 ATOM 995 CB LEU 128 -5.082 7.620 11.872 1.00 0.00 ATOM 996 CG LEU 128 -5.444 8.360 10.582 1.00 0.00 ATOM 997 CD1 LEU 128 -4.263 8.417 9.616 1.00 0.00 ATOM 998 CD2 LEU 128 -6.647 7.709 9.929 1.00 0.00 ATOM 999 O LEU 128 -5.326 9.727 13.968 1.00 0.00 ATOM 1000 C LEU 128 -4.454 9.624 13.094 1.00 0.00 ATOM 1001 N LEU 129 -3.856 10.649 12.512 1.00 0.00 ATOM 1002 CA LEU 129 -4.249 12.022 12.792 1.00 0.00 ATOM 1003 CB LEU 129 -3.099 12.984 12.492 1.00 0.00 ATOM 1004 CG LEU 129 -3.368 14.468 12.753 1.00 0.00 ATOM 1005 CD1 LEU 129 -3.629 14.714 14.230 1.00 0.00 ATOM 1006 CD2 LEU 129 -2.175 15.313 12.332 1.00 0.00 ATOM 1007 O LEU 129 -5.305 12.564 10.711 1.00 0.00 ATOM 1008 C LEU 129 -5.442 12.382 11.915 1.00 0.00 ATOM 1009 N LEU 130 -6.611 12.527 12.527 1.00 0.00 ATOM 1010 CA LEU 130 -7.860 12.730 11.820 1.00 0.00 ATOM 1011 CB LEU 130 -8.989 11.939 12.484 1.00 0.00 ATOM 1012 CG LEU 130 -8.776 10.430 12.612 1.00 0.00 ATOM 1013 CD1 LEU 130 -9.937 9.783 13.353 1.00 0.00 ATOM 1014 CD2 LEU 130 -8.668 9.783 11.239 1.00 0.00 ATOM 1015 O LEU 130 -7.944 14.923 12.777 1.00 0.00 ATOM 1016 C LEU 130 -8.307 14.181 11.866 1.00 0.00 ATOM 1017 N PRO 131 -9.137 14.599 10.864 1.00 0.00 ATOM 1018 CA PRO 131 -9.620 15.983 10.832 1.00 0.00 ATOM 1019 CB PRO 131 -10.236 16.097 9.440 1.00 0.00 ATOM 1020 CG PRO 131 -10.733 14.694 9.173 1.00 0.00 ATOM 1021 CD PRO 131 -9.605 13.836 9.693 1.00 0.00 ATOM 1022 O PRO 131 -11.314 15.275 12.294 1.00 0.00 ATOM 1023 C PRO 131 -10.641 16.212 11.937 1.00 0.00 ATOM 1024 N PRO 132 -10.787 17.470 12.428 1.00 0.00 ATOM 1025 CA PRO 132 -11.811 17.758 13.426 1.00 0.00 ATOM 1026 CB PRO 132 -11.654 19.255 13.676 1.00 0.00 ATOM 1027 CG PRO 132 -10.349 19.580 13.218 1.00 0.00 ATOM 1028 CD PRO 132 -9.965 18.649 12.140 1.00 0.00 ATOM 1029 O PRO 132 -14.012 16.953 13.841 1.00 0.00 ATOM 1030 C PRO 132 -13.205 17.358 13.002 1.00 0.00 ATOM 1031 N HIS 133 -13.328 17.473 11.757 1.00 0.00 ATOM 1032 CA HIS 133 -14.626 17.045 11.245 1.00 0.00 ATOM 1033 CB HIS 133 -14.761 17.336 9.769 1.00 0.00 ATOM 1034 CG HIS 133 -14.726 18.840 9.627 1.00 0.00 ATOM 1035 CD2 HIS 133 -14.519 19.675 8.593 1.00 0.00 ATOM 1036 ND1 HIS 133 -14.921 19.641 10.735 1.00 0.00 ATOM 1037 CE1 HIS 133 -14.844 20.911 10.387 1.00 0.00 ATOM 1038 NE2 HIS 133 -14.601 20.957 9.088 1.00 0.00 ATOM 1039 O HIS 133 -15.882 15.073 11.827 1.00 0.00 ATOM 1040 C HIS 133 -14.812 15.533 11.391 1.00 0.00 ATOM 1041 N LEU 134 -13.828 14.763 10.956 1.00 0.00 ATOM 1042 CA LEU 134 -13.918 13.289 10.997 1.00 0.00 ATOM 1043 CB LEU 134 -12.689 12.659 10.338 1.00 0.00 ATOM 1044 CG LEU 134 -12.644 11.131 10.308 1.00 0.00 ATOM 1045 CD1 LEU 134 -13.823 10.574 9.525 1.00 0.00 ATOM 1046 CD2 LEU 134 -11.362 10.643 9.650 1.00 0.00 ATOM 1047 O LEU 134 -14.853 11.910 12.689 1.00 0.00 ATOM 1048 C LEU 134 -14.009 12.781 12.403 1.00 0.00 ATOM 1049 N VAL 135 -13.148 13.254 13.298 1.00 0.00 ATOM 1050 CA VAL 135 -13.217 12.794 14.682 1.00 0.00 ATOM 1051 CB VAL 135 -12.001 13.275 15.496 1.00 0.00 ATOM 1052 CG1 VAL 135 -12.099 12.794 16.936 1.00 0.00 ATOM 1053 CG2 VAL 135 -10.711 12.736 14.897 1.00 0.00 ATOM 1054 O VAL 135 -14.894 14.491 14.972 1.00 0.00 ATOM 1055 C VAL 135 -14.502 13.370 15.267 1.00 0.00 TER END