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 3 Thu Jul 13 18:28:33 2006 MODEL 3 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 2.657 -19.356 32.240 1.00 0.00 ATOM 2 CA MET 1 1.492 -20.169 31.789 1.00 0.00 ATOM 3 CB MET 1 0.209 -19.667 32.461 1.00 0.00 ATOM 4 CG MET 1 -0.131 -18.219 32.144 1.00 0.00 ATOM 5 SD MET 1 -1.734 -17.723 32.808 1.00 0.00 ATOM 6 CE MET 1 -2.801 -18.096 31.414 1.00 0.00 ATOM 7 O MET 1 2.259 -19.739 29.561 1.00 0.00 ATOM 8 C MET 1 1.592 -20.461 30.299 1.00 0.00 ATOM 9 N LYS 2 0.924 -21.525 29.865 1.00 0.00 ATOM 10 CA LYS 2 0.951 -21.897 28.459 1.00 0.00 ATOM 11 CB LYS 2 0.172 -23.200 28.272 1.00 0.00 ATOM 12 CG LYS 2 0.211 -23.749 26.854 1.00 0.00 ATOM 13 CD LYS 2 -0.508 -25.085 26.761 1.00 0.00 ATOM 14 CE LYS 2 -0.500 -25.617 25.336 1.00 0.00 ATOM 15 NZ LYS 2 -1.248 -26.897 25.218 1.00 0.00 ATOM 16 O LYS 2 0.793 -20.493 26.513 1.00 0.00 ATOM 17 C LYS 2 0.282 -20.842 27.577 1.00 0.00 ATOM 18 N PHE 3 -0.877 -20.353 27.991 1.00 0.00 ATOM 19 CA PHE 3 -1.612 -19.340 27.239 1.00 0.00 ATOM 20 CB PHE 3 -2.908 -19.010 27.982 1.00 0.00 ATOM 21 CG PHE 3 -3.922 -20.118 27.953 1.00 0.00 ATOM 22 CD1 PHE 3 -3.799 -21.164 27.054 1.00 0.00 ATOM 23 CD2 PHE 3 -4.999 -20.114 28.823 1.00 0.00 ATOM 24 CE1 PHE 3 -4.733 -22.183 27.027 1.00 0.00 ATOM 25 CE2 PHE 3 -5.931 -21.134 28.795 1.00 0.00 ATOM 26 CZ PHE 3 -5.802 -22.166 27.903 1.00 0.00 ATOM 27 O PHE 3 -0.866 -17.425 26.007 1.00 0.00 ATOM 28 C PHE 3 -0.854 -18.042 27.082 1.00 0.00 ATOM 29 N LEU 4 -0.192 -17.620 28.149 1.00 0.00 ATOM 30 CA LEU 4 0.573 -16.385 28.115 1.00 0.00 ATOM 31 CB LEU 4 1.132 -16.062 29.503 1.00 0.00 ATOM 32 CG LEU 4 0.110 -15.667 30.570 1.00 0.00 ATOM 33 CD1 LEU 4 0.775 -15.549 31.933 1.00 0.00 ATOM 34 CD2 LEU 4 -0.526 -14.325 30.234 1.00 0.00 ATOM 35 O LEU 4 2.114 -15.580 26.431 1.00 0.00 ATOM 36 C LEU 4 1.741 -16.513 27.152 1.00 0.00 ATOM 37 N THR 5 2.374 -17.677 27.134 1.00 0.00 ATOM 38 CA THR 5 3.476 -17.919 26.210 1.00 0.00 ATOM 39 CB THR 5 4.114 -19.290 26.449 1.00 0.00 ATOM 40 CG2 THR 5 5.252 -19.540 25.474 1.00 0.00 ATOM 41 OG1 THR 5 4.623 -19.337 27.787 1.00 0.00 ATOM 42 O THR 5 3.638 -17.120 23.939 1.00 0.00 ATOM 43 C THR 5 3.004 -17.791 24.761 1.00 0.00 ATOM 44 N THR 6 1.879 -18.421 24.453 1.00 0.00 ATOM 45 CA THR 6 1.319 -18.356 23.107 1.00 0.00 ATOM 46 CB THR 6 0.030 -19.192 22.992 1.00 0.00 ATOM 47 CG2 THR 6 -0.556 -19.077 21.594 1.00 0.00 ATOM 48 OG1 THR 6 0.325 -20.568 23.260 1.00 0.00 ATOM 49 O THR 6 1.242 -16.379 21.691 1.00 0.00 ATOM 50 C THR 6 0.999 -16.877 22.797 1.00 0.00 ATOM 51 N ASN 7 0.544 -16.157 23.818 1.00 0.00 ATOM 52 CA ASN 7 0.231 -14.743 23.616 1.00 0.00 ATOM 53 CB ASN 7 -0.474 -14.189 24.853 1.00 0.00 ATOM 54 CG ASN 7 -1.860 -14.764 25.016 1.00 0.00 ATOM 55 ND2 ASN 7 -2.346 -14.799 26.253 1.00 0.00 ATOM 56 OD1 ASN 7 -2.497 -15.168 24.031 1.00 0.00 ATOM 57 O ASN 7 1.450 -13.027 22.439 1.00 0.00 ATOM 58 C ASN 7 1.454 -13.933 23.292 1.00 0.00 ATOM 59 N PHE 8 2.549 -14.238 23.975 1.00 0.00 ATOM 60 CA PHE 8 3.771 -13.504 23.729 1.00 0.00 ATOM 61 CB PHE 8 4.865 -13.939 24.705 1.00 0.00 ATOM 62 CG PHE 8 6.171 -13.226 24.510 1.00 0.00 ATOM 63 CD1 PHE 8 6.355 -11.942 24.996 1.00 0.00 ATOM 64 CD2 PHE 8 7.217 -13.837 23.842 1.00 0.00 ATOM 65 CE1 PHE 8 7.558 -11.286 24.816 1.00 0.00 ATOM 66 CE2 PHE 8 8.420 -13.180 23.661 1.00 0.00 ATOM 67 CZ PHE 8 8.592 -11.910 24.146 1.00 0.00 ATOM 68 O PHE 8 4.619 -12.778 21.601 1.00 0.00 ATOM 69 C PHE 8 4.259 -13.733 22.299 1.00 0.00 ATOM 70 N LEU 9 4.265 -14.979 21.875 1.00 0.00 ATOM 71 CA LEU 9 4.704 -15.311 20.524 1.00 0.00 ATOM 72 CB LEU 9 4.673 -16.821 20.283 1.00 0.00 ATOM 73 CG LEU 9 5.711 -17.651 21.041 1.00 0.00 ATOM 74 CD1 LEU 9 5.452 -19.137 20.853 1.00 0.00 ATOM 75 CD2 LEU 9 7.113 -17.345 20.538 1.00 0.00 ATOM 76 O LEU 9 4.334 -14.099 18.511 1.00 0.00 ATOM 77 C LEU 9 3.827 -14.664 19.476 1.00 0.00 ATOM 78 N LYS 10 2.510 -14.729 19.669 1.00 0.00 ATOM 79 CA LYS 10 1.594 -14.138 18.709 1.00 0.00 ATOM 80 CB LYS 10 0.176 -14.550 18.941 1.00 0.00 ATOM 81 CG LYS 10 -0.019 -16.066 18.846 1.00 0.00 ATOM 82 CD LYS 10 0.386 -16.593 17.471 1.00 0.00 ATOM 83 CE LYS 10 0.485 -18.108 17.459 1.00 0.00 ATOM 84 NZ LYS 10 0.894 -18.612 16.114 1.00 0.00 ATOM 85 O LYS 10 1.475 -11.981 17.672 1.00 0.00 ATOM 86 C LYS 10 1.689 -12.602 18.700 1.00 0.00 ATOM 87 N CYS 11 1.986 -12.019 19.863 1.00 0.00 ATOM 88 CA CYS 11 2.107 -10.566 19.972 1.00 0.00 ATOM 89 CB CYS 11 2.414 -10.161 21.415 1.00 0.00 ATOM 90 SG CYS 11 1.044 -10.410 22.569 1.00 0.00 ATOM 91 O CYS 11 3.053 -9.032 18.401 1.00 0.00 ATOM 92 C CYS 11 3.219 -10.041 19.096 1.00 0.00 ATOM 93 N SER 12 4.366 -10.717 19.103 1.00 0.00 ATOM 94 CA SER 12 5.470 -10.222 18.293 1.00 0.00 ATOM 95 CB SER 12 6.728 -11.061 18.532 1.00 0.00 ATOM 96 OG SER 12 7.196 -10.911 19.861 1.00 0.00 ATOM 97 O SER 12 5.462 -9.311 16.117 1.00 0.00 ATOM 98 C SER 12 5.170 -10.259 16.824 1.00 0.00 ATOM 99 N VAL 13 4.553 -11.347 16.365 1.00 0.00 ATOM 100 CA VAL 13 4.260 -11.489 14.948 1.00 0.00 ATOM 101 CB VAL 13 3.807 -12.922 14.610 1.00 0.00 ATOM 102 CG1 VAL 13 3.335 -13.003 13.166 1.00 0.00 ATOM 103 CG2 VAL 13 4.956 -13.901 14.795 1.00 0.00 ATOM 104 O VAL 13 3.249 -9.912 13.448 1.00 0.00 ATOM 105 C VAL 13 3.147 -10.546 14.497 1.00 0.00 ATOM 106 N LYS 14 2.107 -10.419 15.320 1.00 0.00 ATOM 107 CA LYS 14 0.992 -9.534 14.968 1.00 0.00 ATOM 108 CB LYS 14 -0.165 -9.712 15.953 1.00 0.00 ATOM 109 CG LYS 14 -1.390 -8.872 15.629 1.00 0.00 ATOM 110 CD LYS 14 -2.036 -9.315 14.327 1.00 0.00 ATOM 111 CE LYS 14 -3.325 -8.554 14.063 1.00 0.00 ATOM 112 NZ LYS 14 -3.965 -8.970 12.785 1.00 0.00 ATOM 113 O LYS 14 1.020 -7.298 14.124 1.00 0.00 ATOM 114 C LYS 14 1.435 -8.077 14.992 1.00 0.00 ATOM 115 N ALA 15 2.295 -7.736 15.950 1.00 0.00 ATOM 116 CA ALA 15 2.819 -6.360 16.074 1.00 0.00 ATOM 117 CB ALA 15 3.718 -6.243 17.295 1.00 0.00 ATOM 118 O ALA 15 3.412 -4.938 14.211 1.00 0.00 ATOM 119 C ALA 15 3.582 -6.011 14.800 1.00 0.00 ATOM 120 N CYS 16 4.387 -6.932 14.348 1.00 0.00 ATOM 121 CA CYS 16 5.126 -6.748 13.078 1.00 0.00 ATOM 122 CB CYS 16 6.077 -7.910 12.786 1.00 0.00 ATOM 123 SG CYS 16 7.470 -8.041 13.930 1.00 0.00 ATOM 124 O CYS 16 4.340 -5.654 11.065 1.00 0.00 ATOM 125 C CYS 16 4.192 -6.591 11.871 1.00 0.00 ATOM 126 N ASP 17 3.183 -7.553 11.795 1.00 0.00 ATOM 127 CA ASP 17 2.237 -7.603 10.692 1.00 0.00 ATOM 128 CB ASP 17 1.352 -8.846 10.800 1.00 0.00 ATOM 129 CG ASP 17 2.099 -10.123 10.471 1.00 0.00 ATOM 130 OD1 ASP 17 3.219 -10.032 9.924 1.00 0.00 ATOM 131 OD2 ASP 17 1.565 -11.215 10.759 1.00 0.00 ATOM 132 O ASP 17 0.718 -6.090 9.635 1.00 0.00 ATOM 133 C ASP 17 1.322 -6.387 10.669 1.00 0.00 ATOM 134 N THR 18 1.157 -5.744 11.825 1.00 0.00 ATOM 135 CA THR 18 0.278 -4.571 11.909 1.00 0.00 ATOM 136 CB THR 18 -0.736 -4.708 13.060 1.00 0.00 ATOM 137 CG2 THR 18 -1.648 -5.902 12.829 1.00 0.00 ATOM 138 OG1 THR 18 -0.037 -4.890 14.298 1.00 0.00 ATOM 139 O THR 18 0.439 -2.249 12.515 1.00 0.00 ATOM 140 C THR 18 1.027 -3.266 12.140 1.00 0.00 ATOM 141 N SER 19 2.344 -3.322 11.924 1.00 0.00 ATOM 142 CA SER 19 3.174 -2.127 12.083 1.00 0.00 ATOM 143 CB SER 19 3.999 -1.735 10.973 1.00 0.00 ATOM 144 OG SER 19 3.289 -1.619 9.772 1.00 0.00 ATOM 145 O SER 19 2.206 -0.301 13.318 1.00 0.00 ATOM 146 C SER 19 2.750 -1.406 13.360 1.00 0.00 ATOM 147 N ASN 20 2.895 -2.251 14.487 1.00 0.00 ATOM 148 CA ASN 20 2.595 -1.721 15.817 1.00 0.00 ATOM 149 CB ASN 20 3.510 -0.521 16.066 1.00 0.00 ATOM 150 CG ASN 20 4.979 -0.897 16.061 1.00 0.00 ATOM 151 ND2 ASN 20 5.828 0.044 15.665 1.00 0.00 ATOM 152 OD1 ASN 20 5.343 -2.022 16.408 1.00 0.00 ATOM 153 O ASN 20 0.978 -0.857 17.343 1.00 0.00 ATOM 154 C ASN 20 1.202 -1.247 16.190 1.00 0.00 ATOM 155 N ASP 21 0.242 -1.390 15.276 1.00 0.00 ATOM 156 CA ASP 21 -1.124 -0.957 15.577 1.00 0.00 ATOM 157 CB ASP 21 -2.048 -1.241 14.392 1.00 0.00 ATOM 158 CG ASP 21 -1.809 -0.300 13.227 1.00 0.00 ATOM 159 OD1 ASP 21 -1.101 0.712 13.416 1.00 0.00 ATOM 160 OD2 ASP 21 -2.327 -0.575 12.125 1.00 0.00 ATOM 161 O ASP 21 -2.342 -1.030 17.657 1.00 0.00 ATOM 162 C ASP 21 -1.709 -1.664 16.784 1.00 0.00 ATOM 163 N ASN 22 -1.472 -2.971 16.848 1.00 0.00 ATOM 164 CA ASN 22 -1.910 -3.798 17.956 1.00 0.00 ATOM 165 CB ASN 22 -2.638 -5.042 17.441 1.00 0.00 ATOM 166 CG ASN 22 -3.891 -4.703 16.661 1.00 0.00 ATOM 167 ND2 ASN 22 -3.900 -5.050 15.378 1.00 0.00 ATOM 168 OD1 ASN 22 -4.839 -4.137 17.205 1.00 0.00 ATOM 169 O ASN 22 0.220 -4.859 18.199 1.00 0.00 ATOM 170 C ASN 22 -0.687 -4.194 18.729 1.00 0.00 ATOM 171 N PHE 23 -0.713 -3.897 20.019 1.00 0.00 ATOM 172 CA PHE 23 0.446 -4.162 20.859 1.00 0.00 ATOM 173 CB PHE 23 0.466 -3.220 22.065 1.00 0.00 ATOM 174 CG PHE 23 0.806 -1.799 21.717 1.00 0.00 ATOM 175 CD1 PHE 23 -0.189 -0.850 21.565 1.00 0.00 ATOM 176 CD2 PHE 23 2.123 -1.411 21.543 1.00 0.00 ATOM 177 CE1 PHE 23 0.124 0.457 21.246 1.00 0.00 ATOM 178 CE2 PHE 23 2.437 -0.104 21.224 1.00 0.00 ATOM 179 CZ PHE 23 1.444 0.829 21.075 1.00 0.00 ATOM 180 O PHE 23 1.569 -6.043 21.846 1.00 0.00 ATOM 181 C PHE 23 0.494 -5.578 21.420 1.00 0.00 ATOM 182 N PRO 24 -0.717 -6.342 21.513 1.00 0.00 ATOM 183 CA PRO 24 -0.773 -7.680 22.089 1.00 0.00 ATOM 184 CB PRO 24 -0.860 -7.425 23.612 1.00 0.00 ATOM 185 CG PRO 24 -0.509 -5.972 23.771 1.00 0.00 ATOM 186 CD PRO 24 -0.980 -5.292 22.499 1.00 0.00 ATOM 187 O PRO 24 -2.959 -7.906 21.207 1.00 0.00 ATOM 188 C PRO 24 -1.948 -8.481 21.633 1.00 0.00 ATOM 189 N LEU 25 -1.743 -9.802 21.580 1.00 0.00 ATOM 190 CA LEU 25 -2.793 -10.776 21.306 1.00 0.00 ATOM 191 CB LEU 25 -2.342 -11.720 20.211 1.00 0.00 ATOM 192 CG LEU 25 -3.362 -12.790 19.834 1.00 0.00 ATOM 193 CD1 LEU 25 -4.641 -12.215 19.205 1.00 0.00 ATOM 194 CD2 LEU 25 -2.683 -13.773 18.892 1.00 0.00 ATOM 195 O LEU 25 -2.048 -12.172 23.113 1.00 0.00 ATOM 196 C LEU 25 -2.999 -11.587 22.588 1.00 0.00 ATOM 197 N GLN 26 -4.216 -11.561 23.153 1.00 0.00 ATOM 198 CA GLN 26 -4.477 -12.289 24.384 1.00 0.00 ATOM 199 CB GLN 26 -5.380 -11.421 25.264 1.00 0.00 ATOM 200 CG GLN 26 -5.781 -12.075 26.577 1.00 0.00 ATOM 201 CD GLN 26 -4.651 -12.095 27.585 1.00 0.00 ATOM 202 OE1 GLN 26 -3.994 -11.081 27.819 1.00 0.00 ATOM 203 NE2 GLN 26 -4.419 -13.256 28.189 1.00 0.00 ATOM 204 O GLN 26 -6.077 -13.585 23.165 1.00 0.00 ATOM 205 C GLN 26 -5.165 -13.578 23.990 1.00 0.00 ATOM 206 N TYR 27 -4.708 -14.680 24.590 1.00 0.00 ATOM 207 CA TYR 27 -5.233 -15.996 24.263 1.00 0.00 ATOM 208 CB TYR 27 -4.115 -16.930 23.792 1.00 0.00 ATOM 209 CG TYR 27 -4.584 -18.325 23.448 1.00 0.00 ATOM 210 CD1 TYR 27 -5.241 -18.579 22.253 1.00 0.00 ATOM 211 CD2 TYR 27 -4.369 -19.382 24.323 1.00 0.00 ATOM 212 CE1 TYR 27 -5.675 -19.852 21.930 1.00 0.00 ATOM 213 CE2 TYR 27 -4.795 -20.661 24.017 1.00 0.00 ATOM 214 CZ TYR 27 -5.452 -20.889 22.810 1.00 0.00 ATOM 215 OH TYR 27 -5.883 -22.157 22.490 1.00 0.00 ATOM 216 O TYR 27 -5.275 -16.625 26.569 1.00 0.00 ATOM 217 C TYR 27 -5.891 -16.578 25.509 1.00 0.00 ATOM 218 N ASP 28 -7.148 -16.974 25.380 1.00 0.00 ATOM 219 CA ASP 28 -7.854 -17.574 26.504 1.00 0.00 ATOM 220 CB ASP 28 -8.942 -16.637 27.030 1.00 0.00 ATOM 221 CG ASP 28 -10.035 -16.382 26.012 1.00 0.00 ATOM 222 OD1 ASP 28 -10.640 -17.363 25.531 1.00 0.00 ATOM 223 OD2 ASP 28 -10.287 -15.200 25.694 1.00 0.00 ATOM 224 O ASP 28 -8.675 -19.091 24.838 1.00 0.00 ATOM 225 C ASP 28 -8.537 -18.849 26.037 1.00 0.00 ATOM 226 N GLY 29 -8.880 -19.713 26.978 1.00 0.00 ATOM 227 CA GLY 29 -9.536 -20.959 26.623 1.00 0.00 ATOM 228 O GLY 29 -11.182 -21.263 28.332 1.00 0.00 ATOM 229 C GLY 29 -10.956 -20.960 27.158 1.00 0.00 ATOM 230 N SER 30 -11.895 -20.555 26.302 1.00 0.00 ATOM 231 CA SER 30 -13.303 -20.511 26.675 1.00 0.00 ATOM 232 CB SER 30 -13.635 -18.945 26.725 1.00 0.00 ATOM 233 OG SER 30 -12.820 -18.329 27.723 1.00 0.00 ATOM 234 O SER 30 -15.333 -20.830 25.442 1.00 0.00 ATOM 235 C SER 30 -14.178 -21.206 25.642 1.00 0.00 ATOM 236 N LYS 31 -13.641 -22.218 24.985 1.00 0.00 ATOM 237 CA LYS 31 -14.374 -22.968 23.963 1.00 0.00 ATOM 238 CB LYS 31 -15.618 -23.624 24.567 1.00 0.00 ATOM 239 CG LYS 31 -15.314 -24.649 25.648 1.00 0.00 ATOM 240 CD LYS 31 -16.587 -25.306 26.157 1.00 0.00 ATOM 241 CE LYS 31 -16.281 -26.359 27.212 1.00 0.00 ATOM 242 NZ LYS 31 -17.522 -26.970 27.761 1.00 0.00 ATOM 243 O LYS 31 -16.007 -21.907 22.547 1.00 0.00 ATOM 244 C LYS 31 -14.821 -22.001 22.867 1.00 0.00 ATOM 245 N CYS 32 -11.382 -22.195 22.573 1.00 0.00 ATOM 246 CA CYS 32 -10.337 -21.168 22.448 1.00 0.00 ATOM 247 CB CYS 32 -9.013 -21.806 21.892 1.00 0.00 ATOM 248 SG CYS 32 -8.543 -23.419 22.599 1.00 0.00 ATOM 249 O CYS 32 -10.890 -19.757 20.605 1.00 0.00 ATOM 250 C CYS 32 -10.531 -19.821 21.780 1.00 0.00 ATOM 251 N GLN 33 -10.209 -18.693 22.537 1.00 0.00 ATOM 252 CA GLN 33 -10.630 -17.351 22.138 1.00 0.00 ATOM 253 CB GLN 33 -11.780 -16.889 23.035 1.00 0.00 ATOM 254 CG GLN 33 -12.921 -17.888 23.145 1.00 0.00 ATOM 255 CD GLN 33 -13.683 -18.048 21.845 1.00 0.00 ATOM 256 OE1 GLN 33 -13.916 -17.075 21.127 1.00 0.00 ATOM 257 NE2 GLN 33 -14.072 -19.280 21.537 1.00 0.00 ATOM 258 O GLN 33 -8.480 -16.537 22.828 1.00 0.00 ATOM 259 C GLN 33 -9.435 -16.408 22.064 1.00 0.00 ATOM 260 N LEU 34 -9.512 -15.424 21.146 1.00 0.00 ATOM 261 CA LEU 34 -8.471 -14.413 21.027 1.00 0.00 ATOM 262 CB LEU 34 -7.779 -14.453 19.664 1.00 0.00 ATOM 263 CG LEU 34 -7.071 -15.759 19.300 1.00 0.00 ATOM 264 CD1 LEU 34 -6.500 -15.688 17.892 1.00 0.00 ATOM 265 CD2 LEU 34 -5.927 -16.036 20.263 1.00 0.00 ATOM 266 O LEU 34 -10.212 -12.788 20.803 1.00 0.00 ATOM 267 C LEU 34 -9.072 -13.026 21.183 1.00 0.00 ATOM 268 N VAL 35 -8.277 -12.137 21.770 1.00 0.00 ATOM 269 CA VAL 35 -8.631 -10.728 21.952 1.00 0.00 ATOM 270 CB VAL 35 -9.078 -10.403 23.340 1.00 0.00 ATOM 271 CG1 VAL 35 -10.356 -11.202 23.706 1.00 0.00 ATOM 272 CG2 VAL 35 -8.003 -10.674 24.405 1.00 0.00 ATOM 273 O VAL 35 -6.286 -10.512 21.556 1.00 0.00 ATOM 274 C VAL 35 -7.376 -9.957 21.587 1.00 0.00 ATOM 275 N GLN 36 -7.509 -8.663 21.313 1.00 0.00 ATOM 276 CA GLN 36 -6.353 -7.870 20.937 1.00 0.00 ATOM 277 CB GLN 36 -6.453 -7.390 19.488 1.00 0.00 ATOM 278 CG GLN 36 -6.468 -8.514 18.462 1.00 0.00 ATOM 279 CD GLN 36 -6.566 -8.001 17.040 1.00 0.00 ATOM 280 OE1 GLN 36 -6.696 -6.799 16.809 1.00 0.00 ATOM 281 NE2 GLN 36 -6.502 -8.915 16.077 1.00 0.00 ATOM 282 O GLN 36 -7.224 -6.203 22.430 1.00 0.00 ATOM 283 C GLN 36 -6.234 -6.647 21.852 1.00 0.00 ATOM 284 N ASP 37 -5.025 -6.121 21.990 1.00 0.00 ATOM 285 CA ASP 37 -4.820 -4.939 22.833 1.00 0.00 ATOM 286 CB ASP 37 -3.701 -5.181 23.850 1.00 0.00 ATOM 287 CG ASP 37 -3.515 -4.014 24.798 1.00 0.00 ATOM 288 OD1 ASP 37 -4.187 -2.979 24.606 1.00 0.00 ATOM 289 OD2 ASP 37 -2.695 -4.134 25.733 1.00 0.00 ATOM 290 O ASP 37 -3.524 -3.876 21.151 1.00 0.00 ATOM 291 C ASP 37 -4.440 -3.788 21.942 1.00 0.00 ATOM 292 N GLU 38 -5.151 -2.675 22.109 1.00 0.00 ATOM 293 CA GLU 38 -4.938 -1.493 21.306 1.00 0.00 ATOM 294 CB GLU 38 -6.063 -1.338 20.280 1.00 0.00 ATOM 295 CG GLU 38 -5.922 -0.119 19.384 1.00 0.00 ATOM 296 CD GLU 38 -6.968 -0.079 18.286 1.00 0.00 ATOM 297 OE1 GLU 38 -7.755 -1.042 18.180 1.00 0.00 ATOM 298 OE2 GLU 38 -7.000 0.917 17.534 1.00 0.00 ATOM 299 O GLU 38 -5.885 -0.193 23.066 1.00 0.00 ATOM 300 C GLU 38 -4.933 -0.346 22.316 1.00 0.00 ATOM 301 N SER 39 -3.882 0.463 22.266 1.00 0.00 ATOM 302 CA SER 39 -3.763 1.601 23.171 1.00 0.00 ATOM 303 CB SER 39 -4.761 2.695 22.789 1.00 0.00 ATOM 304 OG SER 39 -4.520 3.170 21.477 1.00 0.00 ATOM 305 O SER 39 -4.800 1.912 25.351 1.00 0.00 ATOM 306 C SER 39 -4.035 1.233 24.641 1.00 0.00 ATOM 307 N ILE 40 -3.533 0.069 25.054 1.00 0.00 ATOM 308 CA ILE 40 -3.655 -0.365 26.432 1.00 0.00 ATOM 309 CB ILE 40 -2.524 0.683 27.185 1.00 0.00 ATOM 310 CG1 ILE 40 -1.142 0.595 26.550 1.00 0.00 ATOM 311 CG2 ILE 40 -2.397 0.378 28.672 1.00 0.00 ATOM 312 CD1 ILE 40 -0.620 -0.826 26.516 1.00 0.00 ATOM 313 O ILE 40 -5.119 -1.320 28.053 1.00 0.00 ATOM 314 C ILE 40 -4.955 -0.998 26.878 1.00 0.00 ATOM 315 N GLU 41 -5.965 -1.156 25.896 1.00 0.00 ATOM 316 CA GLU 41 -7.259 -1.775 26.204 1.00 0.00 ATOM 317 CB GLU 41 -8.401 -0.799 25.910 1.00 0.00 ATOM 318 CG GLU 41 -8.421 0.425 26.811 1.00 0.00 ATOM 319 CD GLU 41 -9.598 1.337 26.530 1.00 0.00 ATOM 320 OE1 GLU 41 -10.390 1.021 25.618 1.00 0.00 ATOM 321 OE2 GLU 41 -9.729 2.368 27.222 1.00 0.00 ATOM 322 O GLU 41 -7.089 -3.124 24.251 1.00 0.00 ATOM 323 C GLU 41 -7.498 -3.038 25.402 1.00 0.00 ATOM 324 N PHE 42 -8.067 -4.084 26.049 1.00 0.00 ATOM 325 CA PHE 42 -8.386 -5.301 25.324 1.00 0.00 ATOM 326 CB PHE 42 -8.627 -6.425 26.334 1.00 0.00 ATOM 327 CG PHE 42 -7.376 -6.919 27.001 1.00 0.00 ATOM 328 CD1 PHE 42 -7.030 -6.481 28.267 1.00 0.00 ATOM 329 CD2 PHE 42 -6.544 -7.823 26.362 1.00 0.00 ATOM 330 CE1 PHE 42 -5.879 -6.937 28.881 1.00 0.00 ATOM 331 CE2 PHE 42 -5.392 -8.278 26.975 1.00 0.00 ATOM 332 CZ PHE 42 -5.059 -7.839 28.230 1.00 0.00 ATOM 333 O PHE 42 -10.598 -4.405 25.033 1.00 0.00 ATOM 334 C PHE 42 -9.658 -5.022 24.517 1.00 0.00 ATOM 335 N ASN 43 -9.789 -5.542 23.212 1.00 0.00 ATOM 336 CA ASN 43 -10.943 -5.219 22.374 1.00 0.00 ATOM 337 CB ASN 43 -10.536 -4.271 21.244 1.00 0.00 ATOM 338 CG ASN 43 -10.037 -2.935 21.756 1.00 0.00 ATOM 339 ND2 ASN 43 -8.731 -2.713 21.653 1.00 0.00 ATOM 340 OD1 ASN 43 -10.817 -2.112 22.238 1.00 0.00 ATOM 341 O ASN 43 -10.775 -7.449 21.521 1.00 0.00 ATOM 342 C ASN 43 -11.502 -6.482 21.754 1.00 0.00 ATOM 343 N PRO 44 -12.803 -6.478 21.484 1.00 0.00 ATOM 344 CA PRO 44 -13.533 -7.603 20.889 1.00 0.00 ATOM 345 CB PRO 44 -14.989 -7.133 20.877 1.00 0.00 ATOM 346 CG PRO 44 -14.901 -5.647 20.782 1.00 0.00 ATOM 347 CD PRO 44 -13.693 -5.249 21.584 1.00 0.00 ATOM 348 O PRO 44 -12.477 -6.878 18.839 1.00 0.00 ATOM 349 C PRO 44 -12.953 -7.823 19.483 1.00 0.00 ATOM 350 N GLU 45 -13.050 -9.058 18.985 1.00 0.00 ATOM 351 CA GLU 45 -12.524 -9.362 17.654 1.00 0.00 ATOM 352 CB GLU 45 -12.701 -10.850 17.342 1.00 0.00 ATOM 353 CG GLU 45 -11.934 -11.770 18.286 1.00 0.00 ATOM 354 CD GLU 45 -12.220 -13.245 18.044 1.00 0.00 ATOM 355 OE1 GLU 45 -13.405 -13.633 18.043 1.00 0.00 ATOM 356 OE2 GLU 45 -11.254 -14.018 17.866 1.00 0.00 ATOM 357 O GLU 45 -12.573 -7.996 15.671 1.00 0.00 ATOM 358 C GLU 45 -13.217 -8.513 16.588 1.00 0.00 ATOM 359 N PHE 46 -14.529 -8.359 16.717 1.00 0.00 ATOM 360 CA PHE 46 -15.294 -7.579 15.754 1.00 0.00 ATOM 361 CB PHE 46 -16.799 -7.652 16.054 1.00 0.00 ATOM 362 CG PHE 46 -17.654 -6.926 15.050 1.00 0.00 ATOM 363 CD1 PHE 46 -17.899 -7.477 13.799 1.00 0.00 ATOM 364 CD2 PHE 46 -18.188 -5.676 15.351 1.00 0.00 ATOM 365 CE1 PHE 46 -18.667 -6.791 12.856 1.00 0.00 ATOM 366 CE2 PHE 46 -18.957 -4.981 14.418 1.00 0.00 ATOM 367 CZ PHE 46 -19.196 -5.540 13.167 1.00 0.00 ATOM 368 O PHE 46 -14.588 -5.561 14.659 1.00 0.00 ATOM 369 C PHE 46 -14.851 -6.116 15.730 1.00 0.00 ATOM 370 N LEU 47 -14.764 -5.503 16.913 1.00 0.00 ATOM 371 CA LEU 47 -14.357 -4.085 16.980 1.00 0.00 ATOM 372 CB LEU 47 -14.590 -3.510 18.403 1.00 0.00 ATOM 373 CG LEU 47 -16.064 -3.431 18.882 1.00 0.00 ATOM 374 CD1 LEU 47 -16.144 -2.892 20.363 1.00 0.00 ATOM 375 CD2 LEU 47 -16.953 -2.588 17.966 1.00 0.00 ATOM 376 O LEU 47 -12.598 -2.988 15.769 1.00 0.00 ATOM 377 C LEU 47 -12.923 -3.946 16.468 1.00 0.00 ATOM 378 N LEU 48 -12.067 -4.891 16.797 1.00 0.00 ATOM 379 CA LEU 48 -10.679 -4.851 16.349 1.00 0.00 ATOM 380 CB LEU 48 -9.874 -5.921 17.132 1.00 0.00 ATOM 381 CG LEU 48 -9.443 -5.510 18.539 1.00 0.00 ATOM 382 CD1 LEU 48 -9.162 -6.800 19.317 1.00 0.00 ATOM 383 CD2 LEU 48 -8.213 -4.599 18.495 1.00 0.00 ATOM 384 O LEU 48 -9.750 -4.340 14.183 1.00 0.00 ATOM 385 C LEU 48 -10.596 -4.990 14.828 1.00 0.00 ATOM 386 N ASN 49 -11.444 -5.844 14.263 1.00 0.00 ATOM 387 CA ASN 49 -11.488 -6.052 12.819 1.00 0.00 ATOM 388 CB ASN 49 -12.433 -7.202 12.390 1.00 0.00 ATOM 389 CG ASN 49 -11.867 -8.551 12.706 1.00 0.00 ATOM 390 ND2 ASN 49 -12.730 -9.550 12.769 1.00 0.00 ATOM 391 OD1 ASN 49 -10.669 -8.696 12.911 1.00 0.00 ATOM 392 O ASN 49 -11.281 -4.416 11.085 1.00 0.00 ATOM 393 C ASN 49 -11.872 -4.768 12.099 1.00 0.00 ATOM 394 N ILE 50 -12.870 -4.073 12.609 1.00 0.00 ATOM 395 CA ILE 50 -13.300 -2.837 11.981 1.00 0.00 ATOM 396 CB ILE 50 -14.610 -2.318 12.648 1.00 0.00 ATOM 397 CG1 ILE 50 -15.772 -3.234 12.240 1.00 0.00 ATOM 398 CG2 ILE 50 -14.897 -0.873 12.240 1.00 0.00 ATOM 399 CD1 ILE 50 -17.066 -2.992 13.012 1.00 0.00 ATOM 400 O ILE 50 -11.815 -1.164 11.090 1.00 0.00 ATOM 401 C ILE 50 -12.166 -1.818 12.074 1.00 0.00 ATOM 402 N VAL 51 -11.579 -1.697 13.260 1.00 0.00 ATOM 403 CA VAL 51 -10.471 -0.781 13.477 1.00 0.00 ATOM 404 CB VAL 51 -10.122 -0.658 14.976 1.00 0.00 ATOM 405 CG1 VAL 51 -8.818 0.128 15.157 1.00 0.00 ATOM 406 CG2 VAL 51 -11.250 0.034 15.699 1.00 0.00 ATOM 407 O VAL 51 -8.521 -0.380 12.144 1.00 0.00 ATOM 408 C VAL 51 -9.234 -1.215 12.698 1.00 0.00 ATOM 409 N ASP 52 -8.975 -2.517 12.647 1.00 0.00 ATOM 410 CA ASP 52 -7.812 -3.015 11.927 1.00 0.00 ATOM 411 CB ASP 52 -7.615 -4.508 12.197 1.00 0.00 ATOM 412 CG ASP 52 -7.094 -4.784 13.593 1.00 0.00 ATOM 413 OD1 ASP 52 -6.657 -3.826 14.265 1.00 0.00 ATOM 414 OD2 ASP 52 -7.124 -5.958 14.017 1.00 0.00 ATOM 415 O ASP 52 -6.976 -2.568 9.727 1.00 0.00 ATOM 416 C ASP 52 -7.964 -2.806 10.423 1.00 0.00 ATOM 417 N ARG 53 -9.201 -2.870 9.902 1.00 0.00 ATOM 418 CA ARG 53 -9.433 -2.650 8.480 1.00 0.00 ATOM 419 CB ARG 53 -10.898 -2.924 8.146 1.00 0.00 ATOM 420 CG ARG 53 -11.212 -4.418 8.154 1.00 0.00 ATOM 421 CD ARG 53 -12.728 -4.658 8.072 1.00 0.00 ATOM 422 NE ARG 53 -13.001 -6.046 7.669 1.00 0.00 ATOM 423 CZ ARG 53 -14.201 -6.604 7.823 1.00 0.00 ATOM 424 NH1 ARG 53 -15.249 -6.011 8.395 1.00 0.00 ATOM 425 NH2 ARG 53 -14.395 -7.864 7.424 1.00 0.00 ATOM 426 O ARG 53 -8.449 -1.012 7.008 1.00 0.00 ATOM 427 C ARG 53 -9.070 -1.226 8.051 1.00 0.00 ATOM 428 N VAL 54 -9.511 -0.186 8.865 1.00 0.00 ATOM 429 CA VAL 54 -9.178 1.204 8.585 1.00 0.00 ATOM 430 CB VAL 54 -9.871 2.213 9.519 1.00 0.00 ATOM 431 CG1 VAL 54 -9.343 3.618 9.271 1.00 0.00 ATOM 432 CG2 VAL 54 -11.374 2.217 9.279 1.00 0.00 ATOM 433 O VAL 54 -7.051 2.074 7.893 1.00 0.00 ATOM 434 C VAL 54 -7.679 1.401 8.714 1.00 0.00 ATOM 435 N ASP 55 -7.077 0.725 9.675 1.00 0.00 ATOM 436 CA ASP 55 -5.622 0.828 9.832 1.00 0.00 ATOM 437 CB ASP 55 -5.403 1.507 11.268 1.00 0.00 ATOM 438 CG ASP 55 -4.000 2.042 11.508 1.00 0.00 ATOM 439 OD1 ASP 55 -3.198 2.156 10.553 1.00 0.00 ATOM 440 OD2 ASP 55 -3.645 2.411 12.664 1.00 0.00 ATOM 441 O ASP 55 -3.619 -0.351 9.182 1.00 0.00 ATOM 442 C ASP 55 -4.838 -0.264 9.074 1.00 0.00 ATOM 443 N TRP 56 -5.553 -1.099 8.326 1.00 0.00 ATOM 444 CA TRP 56 -4.926 -2.193 7.571 1.00 0.00 ATOM 445 CB TRP 56 -5.994 -3.101 6.957 1.00 0.00 ATOM 446 CG TRP 56 -5.429 -4.247 6.174 1.00 0.00 ATOM 447 CD1 TRP 56 -5.030 -5.457 6.665 1.00 0.00 ATOM 448 CD2 TRP 56 -5.200 -4.290 4.760 1.00 0.00 ATOM 449 CE2 TRP 56 -4.659 -5.558 4.463 1.00 0.00 ATOM 450 CE3 TRP 56 -5.397 -3.382 3.717 1.00 0.00 ATOM 451 NE1 TRP 56 -4.566 -6.252 5.643 1.00 0.00 ATOM 452 CZ2 TRP 56 -4.316 -5.939 3.169 1.00 0.00 ATOM 453 CZ3 TRP 56 -5.055 -3.764 2.433 1.00 0.00 ATOM 454 CH2 TRP 56 -4.521 -5.029 2.166 1.00 0.00 ATOM 455 O TRP 56 -2.920 -2.082 6.250 1.00 0.00 ATOM 456 C TRP 56 -4.059 -1.631 6.444 1.00 0.00 ATOM 457 N PRO 57 -4.599 -0.657 5.708 1.00 0.00 ATOM 458 CA PRO 57 -3.850 -0.080 4.588 1.00 0.00 ATOM 459 CB PRO 57 -4.817 0.941 3.984 1.00 0.00 ATOM 460 CG PRO 57 -6.173 0.411 4.310 1.00 0.00 ATOM 461 CD PRO 57 -6.070 -0.175 5.690 1.00 0.00 ATOM 462 O PRO 57 -1.498 0.356 4.543 1.00 0.00 ATOM 463 C PRO 57 -2.577 0.576 5.097 1.00 0.00 ATOM 464 N ALA 58 -2.675 1.307 6.187 1.00 0.00 ATOM 465 CA ALA 58 -1.521 1.974 6.800 1.00 0.00 ATOM 466 CB ALA 58 -1.912 2.827 7.940 1.00 0.00 ATOM 467 O ALA 58 0.685 1.080 7.099 1.00 0.00 ATOM 468 C ALA 58 -0.514 0.933 7.300 1.00 0.00 ATOM 469 N VAL 59 -0.998 -0.148 7.912 1.00 0.00 ATOM 470 CA VAL 59 -0.076 -1.161 8.401 1.00 0.00 ATOM 471 CB VAL 59 -0.809 -2.258 9.197 1.00 0.00 ATOM 472 CG1 VAL 59 0.137 -3.405 9.518 1.00 0.00 ATOM 473 CG2 VAL 59 -1.347 -1.698 10.503 1.00 0.00 ATOM 474 O VAL 59 1.855 -2.072 7.350 1.00 0.00 ATOM 475 C VAL 59 0.649 -1.847 7.249 1.00 0.00 ATOM 476 N LEU 60 -0.081 -2.176 6.194 1.00 0.00 ATOM 477 CA LEU 60 0.549 -2.840 5.050 1.00 0.00 ATOM 478 CB LEU 60 -0.526 -3.201 4.023 1.00 0.00 ATOM 479 CG LEU 60 -0.052 -3.952 2.778 1.00 0.00 ATOM 480 CD1 LEU 60 0.582 -5.281 3.161 1.00 0.00 ATOM 481 CD2 LEU 60 -1.217 -4.233 1.841 1.00 0.00 ATOM 482 O LEU 60 2.659 -2.347 4.040 1.00 0.00 ATOM 483 C LEU 60 1.583 -1.906 4.398 1.00 0.00 ATOM 484 N THR 61 1.292 -0.615 4.288 1.00 0.00 ATOM 485 CA THR 61 2.231 0.331 3.688 1.00 0.00 ATOM 486 CB THR 61 1.730 1.764 3.430 1.00 0.00 ATOM 487 CG2 THR 61 0.624 1.741 2.351 1.00 0.00 ATOM 488 OG1 THR 61 1.217 2.293 4.656 1.00 0.00 ATOM 489 O THR 61 4.609 0.440 4.022 1.00 0.00 ATOM 490 C THR 61 3.490 0.446 4.550 1.00 0.00 ATOM 491 N VAL 62 3.326 0.561 5.848 1.00 0.00 ATOM 492 CA VAL 62 4.482 0.639 6.751 1.00 0.00 ATOM 493 CB VAL 62 4.044 0.742 8.194 1.00 0.00 ATOM 494 CG1 VAL 62 5.291 0.685 9.119 1.00 0.00 ATOM 495 CG2 VAL 62 3.248 2.028 8.432 1.00 0.00 ATOM 496 O VAL 62 6.607 -0.479 6.562 1.00 0.00 ATOM 497 C VAL 62 5.371 -0.591 6.616 1.00 0.00 ATOM 498 N ALA 63 4.763 -1.777 6.577 1.00 0.00 ATOM 499 CA ALA 63 5.500 -3.029 6.463 1.00 0.00 ATOM 500 CB ALA 63 4.528 -4.197 6.525 1.00 0.00 ATOM 501 O ALA 63 7.421 -3.563 5.107 1.00 0.00 ATOM 502 C ALA 63 6.284 -3.098 5.139 1.00 0.00 ATOM 503 N ALA 64 5.668 -2.620 4.075 1.00 0.00 ATOM 504 CA ALA 64 6.291 -2.615 2.757 1.00 0.00 ATOM 505 CB ALA 64 5.328 -2.161 1.670 1.00 0.00 ATOM 506 O ALA 64 8.481 -1.979 2.093 1.00 0.00 ATOM 507 C ALA 64 7.489 -1.677 2.744 1.00 0.00 ATOM 508 N GLU 65 7.421 -0.551 3.459 1.00 0.00 ATOM 509 CA GLU 65 8.579 0.319 3.522 1.00 0.00 ATOM 510 CB GLU 65 8.252 1.653 4.202 1.00 0.00 ATOM 511 CG GLU 65 7.259 2.496 3.402 1.00 0.00 ATOM 512 CD GLU 65 7.731 2.872 2.016 1.00 0.00 ATOM 513 OE1 GLU 65 8.604 3.760 1.911 1.00 0.00 ATOM 514 OE2 GLU 65 7.268 2.313 0.996 1.00 0.00 ATOM 515 O GLU 65 10.888 -0.343 3.765 1.00 0.00 ATOM 516 C GLU 65 9.737 -0.399 4.212 1.00 0.00 ATOM 517 N LEU 66 9.454 -1.068 5.324 1.00 0.00 ATOM 518 CA LEU 66 10.515 -1.772 6.028 1.00 0.00 ATOM 519 CB LEU 66 9.984 -2.378 7.329 1.00 0.00 ATOM 520 CG LEU 66 9.611 -1.388 8.436 1.00 0.00 ATOM 521 CD1 LEU 66 8.931 -2.106 9.593 1.00 0.00 ATOM 522 CD2 LEU 66 10.850 -0.689 8.971 1.00 0.00 ATOM 523 O LEU 66 12.276 -3.123 5.123 1.00 0.00 ATOM 524 C LEU 66 11.074 -2.900 5.163 1.00 0.00 ATOM 525 N GLY 67 10.194 -3.622 4.489 1.00 0.00 ATOM 526 CA GLY 67 10.575 -4.731 3.650 1.00 0.00 ATOM 527 O GLY 67 12.457 -4.993 2.191 1.00 0.00 ATOM 528 C GLY 67 11.481 -4.323 2.492 1.00 0.00 ATOM 529 N ASN 68 11.201 -3.237 1.859 1.00 0.00 ATOM 530 CA ASN 68 11.903 -2.737 0.675 1.00 0.00 ATOM 531 CB ASN 68 13.263 -2.133 1.069 1.00 0.00 ATOM 532 CG ASN 68 13.930 -1.365 -0.076 1.00 0.00 ATOM 533 ND2 ASN 68 13.122 -0.775 -0.953 1.00 0.00 ATOM 534 OD1 ASN 68 15.158 -1.273 -0.143 1.00 0.00 ATOM 535 O ASN 68 13.155 -4.057 -0.933 1.00 0.00 ATOM 536 C ASN 68 12.078 -3.858 -0.366 1.00 0.00 ATOM 537 N ASN 69 10.988 -4.574 -0.616 1.00 0.00 ATOM 538 CA ASN 69 11.013 -5.685 -1.571 1.00 0.00 ATOM 539 CB ASN 69 9.683 -6.439 -1.551 1.00 0.00 ATOM 540 CG ASN 69 9.507 -7.276 -0.298 1.00 0.00 ATOM 541 ND2 ASN 69 8.260 -7.609 0.019 1.00 0.00 ATOM 542 OD1 ASN 69 10.479 -7.617 0.375 1.00 0.00 ATOM 543 O ASN 69 11.961 -5.865 -3.746 1.00 0.00 ATOM 544 C ASN 69 11.251 -5.215 -3.011 1.00 0.00 ATOM 545 N ALA 70 10.640 -4.088 -3.404 1.00 0.00 ATOM 546 CA ALA 70 10.889 -3.471 -4.703 1.00 0.00 ATOM 547 CB ALA 70 10.092 -2.157 -4.812 1.00 0.00 ATOM 548 O ALA 70 12.928 -3.277 -6.006 1.00 0.00 ATOM 549 C ALA 70 12.338 -3.012 -4.925 1.00 0.00 ATOM 550 N LEU 71 12.938 -2.297 -3.974 1.00 0.00 ATOM 551 CA LEU 71 14.192 -1.632 -4.164 1.00 0.00 ATOM 552 CB LEU 71 14.126 -0.228 -3.479 1.00 0.00 ATOM 553 CG LEU 71 13.188 0.744 -4.128 1.00 0.00 ATOM 554 CD1 LEU 71 13.052 1.966 -3.286 1.00 0.00 ATOM 555 CD2 LEU 71 13.545 1.140 -5.522 1.00 0.00 ATOM 556 O LEU 71 15.408 -2.571 -2.296 1.00 0.00 ATOM 557 C LEU 71 15.312 -2.441 -3.557 1.00 0.00 ATOM 558 N PRO 72 16.317 -2.849 -4.353 1.00 0.00 ATOM 559 CA PRO 72 17.488 -3.431 -3.778 1.00 0.00 ATOM 560 CB PRO 72 18.317 -3.931 -4.985 1.00 0.00 ATOM 561 CG PRO 72 17.358 -3.928 -6.006 1.00 0.00 ATOM 562 CD PRO 72 16.365 -2.816 -5.852 1.00 0.00 ATOM 563 O PRO 72 18.044 -1.227 -3.000 1.00 0.00 ATOM 564 C PRO 72 18.207 -2.458 -2.859 1.00 0.00 ATOM 565 N PRO 73 19.036 -2.966 -1.991 1.00 0.00 ATOM 566 CA PRO 73 19.700 -2.081 -1.047 1.00 0.00 ATOM 567 CB PRO 73 20.478 -3.023 -0.140 1.00 0.00 ATOM 568 CG PRO 73 20.326 -4.359 -0.850 1.00 0.00 ATOM 569 CD PRO 73 19.233 -4.404 -1.708 1.00 0.00 ATOM 570 O PRO 73 20.684 0.114 -1.192 1.00 0.00 ATOM 571 C PRO 73 20.574 -1.007 -1.690 1.00 0.00 ATOM 572 N THR 74 21.209 -1.304 -2.803 1.00 0.00 ATOM 573 CA THR 74 21.986 -0.295 -3.490 1.00 0.00 ATOM 574 CB THR 74 22.411 -0.847 -4.841 1.00 0.00 ATOM 575 CG2 THR 74 23.230 0.165 -5.602 1.00 0.00 ATOM 576 OG1 THR 74 23.292 -1.969 -4.652 1.00 0.00 ATOM 577 O THR 74 20.015 1.028 -3.925 1.00 0.00 ATOM 578 C THR 74 21.204 1.011 -3.611 1.00 0.00 ATOM 579 N LYS 75 21.939 2.090 -3.350 1.00 0.00 ATOM 580 CA LYS 75 21.328 3.416 -3.160 1.00 0.00 ATOM 581 CB LYS 75 22.397 4.455 -2.817 1.00 0.00 ATOM 582 CG LYS 75 23.005 4.287 -1.435 1.00 0.00 ATOM 583 CD LYS 75 24.059 5.349 -1.161 1.00 0.00 ATOM 584 CE LYS 75 24.684 5.165 0.211 1.00 0.00 ATOM 585 NZ LYS 75 25.745 6.176 0.478 1.00 0.00 ATOM 586 O LYS 75 19.449 4.266 -4.418 1.00 0.00 ATOM 587 C LYS 75 20.613 3.865 -4.433 1.00 0.00 ATOM 588 N PRO 76 21.334 3.786 -5.545 1.00 0.00 ATOM 589 CA PRO 76 20.814 4.181 -6.842 1.00 0.00 ATOM 590 CB PRO 76 21.979 3.928 -7.800 1.00 0.00 ATOM 591 CG PRO 76 23.199 4.081 -6.954 1.00 0.00 ATOM 592 CD PRO 76 22.856 3.486 -5.618 1.00 0.00 ATOM 593 O PRO 76 18.671 3.914 -7.878 1.00 0.00 ATOM 594 C PRO 76 19.591 3.379 -7.263 1.00 0.00 ATOM 595 N SER 77 19.572 2.019 -6.973 1.00 0.00 ATOM 596 CA SER 77 18.419 1.189 -7.329 1.00 0.00 ATOM 597 CB SER 77 18.716 -0.289 -7.080 1.00 0.00 ATOM 598 OG SER 77 19.702 -0.755 -7.985 1.00 0.00 ATOM 599 O SER 77 16.102 1.674 -7.043 1.00 0.00 ATOM 600 C SER 77 17.207 1.596 -6.511 1.00 0.00 ATOM 601 N PHE 78 17.431 1.836 -5.238 1.00 0.00 ATOM 602 CA PHE 78 16.354 2.236 -4.329 1.00 0.00 ATOM 603 CB PHE 78 17.055 2.952 -2.995 1.00 0.00 ATOM 604 CG PHE 78 16.575 2.662 -1.602 1.00 0.00 ATOM 605 CD1 PHE 78 17.161 1.649 -0.847 1.00 0.00 ATOM 606 CD2 PHE 78 15.515 3.375 -1.051 1.00 0.00 ATOM 607 CE1 PHE 78 16.692 1.349 0.439 1.00 0.00 ATOM 608 CE2 PHE 78 15.040 3.079 0.235 1.00 0.00 ATOM 609 CZ PHE 78 15.631 2.066 0.978 1.00 0.00 ATOM 610 O PHE 78 14.575 3.815 -4.739 1.00 0.00 ATOM 611 C PHE 78 15.793 3.597 -4.748 1.00 0.00 ATOM 612 N PRO 79 16.682 4.500 -5.149 1.00 0.00 ATOM 613 CA PRO 79 16.254 5.826 -5.595 1.00 0.00 ATOM 614 CB PRO 79 17.533 6.549 -5.903 1.00 0.00 ATOM 615 CG PRO 79 18.473 5.989 -4.872 1.00 0.00 ATOM 616 CD PRO 79 18.189 4.515 -4.962 1.00 0.00 ATOM 617 O PRO 79 14.319 6.453 -6.901 1.00 0.00 ATOM 618 C PRO 79 15.334 5.751 -6.822 1.00 0.00 ATOM 619 N SER 80 15.702 4.925 -7.852 1.00 0.00 ATOM 620 CA SER 80 14.902 4.770 -9.060 1.00 0.00 ATOM 621 CB SER 80 15.599 3.815 -10.032 1.00 0.00 ATOM 622 OG SER 80 16.794 4.385 -10.537 1.00 0.00 ATOM 623 O SER 80 12.510 4.614 -9.235 1.00 0.00 ATOM 624 C SER 80 13.536 4.186 -8.695 1.00 0.00 ATOM 625 N SER 81 13.536 3.212 -7.824 1.00 0.00 ATOM 626 CA SER 81 12.284 2.596 -7.393 1.00 0.00 ATOM 627 CB SER 81 12.567 1.296 -6.639 1.00 0.00 ATOM 628 OG SER 81 13.265 0.317 -7.406 1.00 0.00 ATOM 629 O SER 81 10.217 3.632 -6.781 1.00 0.00 ATOM 630 C SER 81 11.423 3.577 -6.601 1.00 0.00 ATOM 631 N ILE 82 12.047 4.343 -5.701 1.00 0.00 ATOM 632 CA ILE 82 11.312 5.332 -4.904 1.00 0.00 ATOM 633 CB ILE 82 12.205 6.125 -4.040 1.00 0.00 ATOM 634 CG1 ILE 82 12.830 5.140 -3.033 1.00 0.00 ATOM 635 CG2 ILE 82 11.342 7.207 -3.216 1.00 0.00 ATOM 636 CD1 ILE 82 13.842 5.859 -2.057 1.00 0.00 ATOM 637 O ILE 82 9.395 6.508 -5.616 1.00 0.00 ATOM 638 C ILE 82 10.580 6.314 -5.787 1.00 0.00 ATOM 639 N GLN 83 11.282 6.826 -6.804 1.00 0.00 ATOM 640 CA GLN 83 10.708 7.815 -7.723 1.00 0.00 ATOM 641 CB GLN 83 11.790 8.379 -8.648 1.00 0.00 ATOM 642 CG GLN 83 12.800 9.273 -7.947 1.00 0.00 ATOM 643 CD GLN 83 13.918 9.722 -8.867 1.00 0.00 ATOM 644 OE1 GLN 83 14.001 9.288 -10.015 1.00 0.00 ATOM 645 NE2 GLN 83 14.781 10.598 -8.365 1.00 0.00 ATOM 646 O GLN 83 8.552 7.903 -8.834 1.00 0.00 ATOM 647 C GLN 83 9.604 7.272 -8.637 1.00 0.00 ATOM 648 N GLU 84 9.853 6.021 -9.223 1.00 0.00 ATOM 649 CA GLU 84 8.869 5.447 -10.130 1.00 0.00 ATOM 650 CB GLU 84 9.554 4.560 -11.172 1.00 0.00 ATOM 651 CG GLU 84 10.512 5.305 -12.087 1.00 0.00 ATOM 652 CD GLU 84 11.203 4.388 -13.077 1.00 0.00 ATOM 653 OE1 GLU 84 10.949 3.166 -13.032 1.00 0.00 ATOM 654 OE2 GLU 84 12.000 4.892 -13.897 1.00 0.00 ATOM 655 O GLU 84 6.685 4.485 -10.200 1.00 0.00 ATOM 656 C GLU 84 7.748 4.584 -9.588 1.00 0.00 ATOM 657 N LEU 85 7.958 3.971 -8.435 1.00 0.00 ATOM 658 CA LEU 85 6.950 3.092 -7.872 1.00 0.00 ATOM 659 CB LEU 85 7.487 1.659 -7.832 1.00 0.00 ATOM 660 CG LEU 85 7.791 1.011 -9.182 1.00 0.00 ATOM 661 CD1 LEU 85 8.453 -0.345 -8.993 1.00 0.00 ATOM 662 CD2 LEU 85 6.513 0.808 -9.982 1.00 0.00 ATOM 663 O LEU 85 5.322 3.531 -6.155 1.00 0.00 ATOM 664 C LEU 85 6.515 3.433 -6.437 1.00 0.00 ATOM 665 N THR 86 7.469 3.583 -5.524 1.00 0.00 ATOM 666 CA THR 86 7.097 3.853 -4.137 1.00 0.00 ATOM 667 CB THR 86 8.338 3.965 -3.231 1.00 0.00 ATOM 668 CG2 THR 86 7.927 4.286 -1.803 1.00 0.00 ATOM 669 OG1 THR 86 9.053 2.725 -3.242 1.00 0.00 ATOM 670 O THR 86 5.501 5.243 -3.027 1.00 0.00 ATOM 671 C THR 86 6.324 5.138 -3.943 1.00 0.00 ATOM 672 N ASP 87 6.596 6.135 -4.780 1.00 0.00 ATOM 673 CA ASP 87 5.864 7.409 -4.628 1.00 0.00 ATOM 674 CB ASP 87 6.364 8.439 -5.643 1.00 0.00 ATOM 675 CG ASP 87 7.744 8.968 -5.305 1.00 0.00 ATOM 676 OD1 ASP 87 8.218 8.715 -4.176 1.00 0.00 ATOM 677 OD2 ASP 87 8.354 9.635 -6.167 1.00 0.00 ATOM 678 O ASP 87 3.588 8.162 -4.472 1.00 0.00 ATOM 679 C ASP 87 4.356 7.265 -4.842 1.00 0.00 ATOM 680 N ASP 88 3.925 6.171 -5.467 1.00 0.00 ATOM 681 CA ASP 88 2.510 5.940 -5.700 1.00 0.00 ATOM 682 CB ASP 88 2.307 5.079 -6.948 1.00 0.00 ATOM 683 CG ASP 88 2.785 5.763 -8.213 1.00 0.00 ATOM 684 OD1 ASP 88 2.438 6.945 -8.417 1.00 0.00 ATOM 685 OD2 ASP 88 3.507 5.117 -9.003 1.00 0.00 ATOM 686 O ASP 88 0.556 5.121 -4.584 1.00 0.00 ATOM 687 C ASP 88 1.780 5.247 -4.559 1.00 0.00 ATOM 688 N ASP 89 2.532 4.737 -3.581 1.00 0.00 ATOM 689 CA ASP 89 1.899 4.089 -2.438 1.00 0.00 ATOM 690 CB ASP 89 2.953 3.424 -1.550 1.00 0.00 ATOM 691 CG ASP 89 3.549 2.182 -2.184 1.00 0.00 ATOM 692 OD1 ASP 89 2.990 1.702 -3.193 1.00 0.00 ATOM 693 OD2 ASP 89 4.577 1.690 -1.674 1.00 0.00 ATOM 694 O ASP 89 0.015 4.907 -1.199 1.00 0.00 ATOM 695 C ASP 89 1.122 5.170 -1.661 1.00 0.00 ATOM 696 N MET 90 1.730 6.352 -1.539 1.00 0.00 ATOM 697 CA MET 90 1.052 7.420 -0.802 1.00 0.00 ATOM 698 CB MET 90 2.063 8.610 -0.690 1.00 0.00 ATOM 699 CG MET 90 1.511 9.800 0.092 1.00 0.00 ATOM 700 SD MET 90 2.514 11.292 -0.120 1.00 0.00 ATOM 701 CE MET 90 2.065 11.734 -1.790 1.00 0.00 ATOM 702 O MET 90 -1.262 8.105 -0.765 1.00 0.00 ATOM 703 C MET 90 -0.246 7.837 -1.435 1.00 0.00 ATOM 704 N ALA 91 -0.244 7.922 -2.757 1.00 0.00 ATOM 705 CA ALA 91 -1.451 8.323 -3.448 1.00 0.00 ATOM 706 CB ALA 91 -1.187 8.470 -4.938 1.00 0.00 ATOM 707 O ALA 91 -3.678 7.628 -3.006 1.00 0.00 ATOM 708 C ALA 91 -2.555 7.290 -3.280 1.00 0.00 ATOM 709 N ILE 92 -2.204 6.009 -3.346 1.00 0.00 ATOM 710 CA ILE 92 -3.195 4.964 -3.170 1.00 0.00 ATOM 711 CB ILE 92 -2.604 3.570 -3.453 1.00 0.00 ATOM 712 CG1 ILE 92 -2.280 3.420 -4.941 1.00 0.00 ATOM 713 CG2 ILE 92 -3.594 2.483 -3.063 1.00 0.00 ATOM 714 CD1 ILE 92 -1.457 2.193 -5.266 1.00 0.00 ATOM 715 O ILE 92 -4.947 4.907 -1.530 1.00 0.00 ATOM 716 C ILE 92 -3.739 4.972 -1.744 1.00 0.00 ATOM 717 N LEU 93 -2.847 5.071 -0.779 1.00 0.00 ATOM 718 CA LEU 93 -3.275 5.087 0.612 1.00 0.00 ATOM 719 CB LEU 93 -2.097 4.985 1.556 1.00 0.00 ATOM 720 CG LEU 93 -1.389 3.624 1.448 1.00 0.00 ATOM 721 CD1 LEU 93 -0.063 3.649 2.197 1.00 0.00 ATOM 722 CD2 LEU 93 -2.295 2.528 1.999 1.00 0.00 ATOM 723 O LEU 93 -4.996 6.259 1.798 1.00 0.00 ATOM 724 C LEU 93 -4.106 6.332 0.967 1.00 0.00 ATOM 725 N ASN 94 -3.776 7.464 0.342 1.00 0.00 ATOM 726 CA ASN 94 -4.500 8.708 0.595 1.00 0.00 ATOM 727 CB ASN 94 -4.030 9.825 -0.275 1.00 0.00 ATOM 728 CG ASN 94 -2.772 10.447 0.292 1.00 0.00 ATOM 729 ND2 ASN 94 -1.952 11.101 -0.561 1.00 0.00 ATOM 730 OD1 ASN 94 -2.529 10.318 1.504 1.00 0.00 ATOM 731 O ASN 94 -6.843 8.980 1.062 1.00 0.00 ATOM 732 C ASN 94 -5.988 8.582 0.271 1.00 0.00 ATOM 733 N ASP 95 -6.263 8.032 -0.869 1.00 0.00 ATOM 734 CA ASP 95 -7.649 7.857 -1.293 1.00 0.00 ATOM 735 CB ASP 95 -7.767 7.329 -2.723 1.00 0.00 ATOM 736 CG ASP 95 -7.363 8.357 -3.761 1.00 0.00 ATOM 737 OD1 ASP 95 -7.231 9.545 -3.398 1.00 0.00 ATOM 738 OD2 ASP 95 -7.181 7.977 -4.936 1.00 0.00 ATOM 739 O ASP 95 -9.512 7.272 0.032 1.00 0.00 ATOM 740 C ASP 95 -8.421 6.936 -0.396 1.00 0.00 ATOM 741 N LEU 96 -7.838 5.803 -0.048 1.00 0.00 ATOM 742 CA LEU 96 -8.509 4.817 0.781 1.00 0.00 ATOM 743 CB LEU 96 -7.699 3.521 0.832 1.00 0.00 ATOM 744 CG LEU 96 -7.617 2.719 -0.468 1.00 0.00 ATOM 745 CD1 LEU 96 -6.642 1.561 -0.327 1.00 0.00 ATOM 746 CD2 LEU 96 -8.979 2.151 -0.835 1.00 0.00 ATOM 747 O LEU 96 -9.748 5.110 2.804 1.00 0.00 ATOM 748 C LEU 96 -8.696 5.327 2.203 1.00 0.00 ATOM 749 N HIS 97 -7.643 5.955 2.770 1.00 0.00 ATOM 750 CA HIS 97 -7.758 6.457 4.134 1.00 0.00 ATOM 751 CB HIS 97 -6.491 6.834 4.763 1.00 0.00 ATOM 752 CG HIS 97 -5.699 5.626 5.121 1.00 0.00 ATOM 753 CD2 HIS 97 -4.610 5.049 4.564 1.00 0.00 ATOM 754 ND1 HIS 97 -6.157 4.739 6.083 1.00 0.00 ATOM 755 CE1 HIS 97 -5.301 3.727 6.177 1.00 0.00 ATOM 756 NE2 HIS 97 -4.328 3.912 5.305 1.00 0.00 ATOM 757 O HIS 97 -9.617 7.625 5.116 1.00 0.00 ATOM 758 C HIS 97 -8.804 7.558 4.172 1.00 0.00 ATOM 759 N THR 98 -8.841 8.446 3.164 1.00 0.00 ATOM 760 CA THR 98 -9.861 9.496 3.120 1.00 0.00 ATOM 761 CB THR 98 -9.601 10.354 1.868 1.00 0.00 ATOM 762 CG2 THR 98 -10.633 11.464 1.759 1.00 0.00 ATOM 763 OG1 THR 98 -8.295 10.939 1.949 1.00 0.00 ATOM 764 O THR 98 -12.166 9.316 3.738 1.00 0.00 ATOM 765 C THR 98 -11.261 8.894 3.040 1.00 0.00 ATOM 766 N LEU 99 -11.422 7.811 2.311 1.00 0.00 ATOM 767 CA LEU 99 -12.714 7.136 2.214 1.00 0.00 ATOM 768 CB LEU 99 -12.676 6.064 1.122 1.00 0.00 ATOM 769 CG LEU 99 -12.569 6.567 -0.318 1.00 0.00 ATOM 770 CD1 LEU 99 -12.363 5.406 -1.279 1.00 0.00 ATOM 771 CD2 LEU 99 -13.838 7.301 -0.726 1.00 0.00 ATOM 772 O LEU 99 -14.214 6.657 4.053 1.00 0.00 ATOM 773 C LEU 99 -13.093 6.474 3.544 1.00 0.00 ATOM 774 N LEU 100 -12.144 5.771 4.165 1.00 0.00 ATOM 775 CA LEU 100 -12.379 5.086 5.426 1.00 0.00 ATOM 776 CB LEU 100 -11.142 4.286 5.837 1.00 0.00 ATOM 777 CG LEU 100 -10.760 3.114 4.932 1.00 0.00 ATOM 778 CD1 LEU 100 -9.451 2.486 5.387 1.00 0.00 ATOM 779 CD2 LEU 100 -11.836 2.040 4.958 1.00 0.00 ATOM 780 O LEU 100 -13.273 5.623 7.576 1.00 0.00 ATOM 781 C LEU 100 -12.708 6.042 6.563 1.00 0.00 ATOM 782 N LEU 101 -12.278 7.296 6.427 1.00 0.00 ATOM 783 CA LEU 101 -12.528 8.290 7.480 1.00 0.00 ATOM 784 CB LEU 101 -11.227 8.997 7.870 1.00 0.00 ATOM 785 CG LEU 101 -10.118 8.109 8.435 1.00 0.00 ATOM 786 CD1 LEU 101 -8.851 8.917 8.673 1.00 0.00 ATOM 787 CD2 LEU 101 -10.543 7.493 9.759 1.00 0.00 ATOM 788 O LEU 101 -13.671 10.389 7.706 1.00 0.00 ATOM 789 C LEU 101 -13.541 9.350 7.056 1.00 0.00 ATOM 790 N GLN 102 -14.237 9.115 5.988 1.00 0.00 ATOM 791 CA GLN 102 -15.250 10.039 5.491 1.00 0.00 ATOM 792 CB GLN 102 -16.417 10.147 6.474 1.00 0.00 ATOM 793 CG GLN 102 -17.168 8.843 6.692 1.00 0.00 ATOM 794 CD GLN 102 -18.335 8.997 7.648 1.00 0.00 ATOM 795 OE1 GLN 102 -18.695 10.109 8.031 1.00 0.00 ATOM 796 NE2 GLN 102 -18.930 7.874 8.036 1.00 0.00 ATOM 797 O GLN 102 -15.356 12.427 5.657 1.00 0.00 ATOM 798 C GLN 102 -14.708 11.448 5.291 1.00 0.00 ATOM 799 N THR 103 -13.480 11.522 4.779 1.00 0.00 ATOM 800 CA THR 103 -12.829 12.782 4.466 1.00 0.00 ATOM 801 CB THR 103 -13.821 13.787 3.849 1.00 0.00 ATOM 802 CG2 THR 103 -14.595 13.139 2.712 1.00 0.00 ATOM 803 OG1 THR 103 -14.748 14.224 4.851 1.00 0.00 ATOM 804 O THR 103 -11.620 14.605 5.424 1.00 0.00 ATOM 805 C THR 103 -12.197 13.529 5.627 1.00 0.00 ATOM 806 N SER 104 -12.106 12.833 6.975 1.00 0.00 ATOM 807 CA SER 104 -11.501 13.499 8.129 1.00 0.00 ATOM 808 CB SER 104 -11.605 12.614 9.374 1.00 0.00 ATOM 809 OG SER 104 -12.956 12.443 9.767 1.00 0.00 ATOM 810 O SER 104 -9.545 14.898 8.297 1.00 0.00 ATOM 811 C SER 104 -10.033 13.811 7.921 1.00 0.00 ATOM 812 N ILE 105 -9.321 12.898 7.376 1.00 0.00 ATOM 813 CA ILE 105 -7.914 12.967 7.026 1.00 0.00 ATOM 814 CB ILE 105 -7.132 11.753 7.563 1.00 0.00 ATOM 815 CG1 ILE 105 -7.233 11.707 9.094 1.00 0.00 ATOM 816 CG2 ILE 105 -5.663 11.853 7.149 1.00 0.00 ATOM 817 CD1 ILE 105 -6.647 10.460 9.720 1.00 0.00 ATOM 818 O ILE 105 -8.317 12.209 4.793 1.00 0.00 ATOM 819 C ILE 105 -7.843 13.088 5.533 1.00 0.00 ATOM 820 N ALA 106 -7.138 14.116 5.083 1.00 0.00 ATOM 821 CA ALA 106 -7.055 14.384 3.655 1.00 0.00 ATOM 822 CB ALA 106 -6.803 15.861 3.397 1.00 0.00 ATOM 823 O ALA 106 -6.192 13.247 1.734 1.00 0.00 ATOM 824 C ALA 106 -6.012 13.571 2.904 1.00 0.00 ATOM 825 N GLU 107 -4.901 13.263 3.696 1.00 0.00 ATOM 826 CA GLU 107 -3.817 12.521 3.070 1.00 0.00 ATOM 827 CB GLU 107 -2.789 13.565 2.557 1.00 0.00 ATOM 828 CG GLU 107 -3.344 14.518 1.499 1.00 0.00 ATOM 829 CD GLU 107 -2.226 15.282 0.741 1.00 0.00 ATOM 830 OE1 GLU 107 -1.067 14.778 0.735 1.00 0.00 ATOM 831 OE2 GLU 107 -2.504 16.356 0.146 1.00 0.00 ATOM 832 O GLU 107 -3.088 11.779 5.199 1.00 0.00 ATOM 833 C GLU 107 -3.031 11.626 3.971 1.00 0.00 ATOM 834 N GLY 108 -2.430 10.599 3.359 1.00 0.00 ATOM 835 CA GLY 108 -1.499 9.692 4.020 1.00 0.00 ATOM 836 O GLY 108 -0.064 10.072 2.132 1.00 0.00 ATOM 837 C GLY 108 -0.155 10.027 3.360 1.00 0.00 ATOM 838 N GLU 109 0.841 10.347 4.177 1.00 0.00 ATOM 839 CA GLU 109 2.179 10.675 3.688 1.00 0.00 ATOM 840 CB GLU 109 2.738 11.884 4.419 1.00 0.00 ATOM 841 CG GLU 109 4.214 12.143 4.083 1.00 0.00 ATOM 842 CD GLU 109 4.818 13.339 4.820 1.00 0.00 ATOM 843 OE1 GLU 109 4.448 13.579 5.996 1.00 0.00 ATOM 844 OE2 GLU 109 5.683 14.036 4.223 1.00 0.00 ATOM 845 O GLU 109 2.977 8.898 5.079 1.00 0.00 ATOM 846 C GLU 109 3.021 9.452 3.982 1.00 0.00 ATOM 847 N MET 110 3.779 9.020 2.970 1.00 0.00 ATOM 848 CA MET 110 4.592 7.820 3.089 1.00 0.00 ATOM 849 CB MET 110 4.225 6.803 2.005 1.00 0.00 ATOM 850 CG MET 110 4.999 5.497 2.092 1.00 0.00 ATOM 851 SD MET 110 4.504 4.310 0.829 1.00 0.00 ATOM 852 CE MET 110 2.917 3.779 1.466 1.00 0.00 ATOM 853 O MET 110 6.443 8.818 1.949 1.00 0.00 ATOM 854 C MET 110 6.062 8.198 2.938 1.00 0.00 ATOM 855 N LYS 111 6.865 7.848 3.930 1.00 0.00 ATOM 856 CA LYS 111 8.291 8.134 3.866 1.00 0.00 ATOM 857 CB LYS 111 8.742 8.782 5.149 1.00 0.00 ATOM 858 CG LYS 111 10.259 8.872 5.238 1.00 0.00 ATOM 859 CD LYS 111 10.726 9.969 6.191 1.00 0.00 ATOM 860 CE LYS 111 10.353 9.670 7.635 1.00 0.00 ATOM 861 NZ LYS 111 11.084 10.585 8.569 1.00 0.00 ATOM 862 O LYS 111 8.493 5.844 4.550 1.00 0.00 ATOM 863 C LYS 111 9.062 6.855 4.140 1.00 0.00 ATOM 864 N CYS 112 10.348 6.863 3.827 1.00 0.00 ATOM 865 CA CYS 112 11.166 5.685 4.059 1.00 0.00 ATOM 866 CB CYS 112 11.539 5.005 2.718 1.00 0.00 ATOM 867 SG CYS 112 12.466 3.458 2.983 1.00 0.00 ATOM 868 O CYS 112 13.277 6.630 4.667 1.00 0.00 ATOM 869 C CYS 112 12.258 6.047 5.047 1.00 0.00 ATOM 870 N ARG 113 11.994 5.791 6.326 1.00 0.00 ATOM 871 CA ARG 113 12.945 6.076 7.396 1.00 0.00 ATOM 872 CB ARG 113 12.299 6.061 8.706 1.00 0.00 ATOM 873 CG ARG 113 11.380 4.927 9.137 1.00 0.00 ATOM 874 CD ARG 113 10.845 5.162 10.541 1.00 0.00 ATOM 875 NE ARG 113 11.918 5.344 11.515 1.00 0.00 ATOM 876 CZ ARG 113 12.768 4.388 11.882 1.00 0.00 ATOM 877 NH1 ARG 113 12.673 3.173 11.359 1.00 0.00 ATOM 878 NH2 ARG 113 13.715 4.650 12.774 1.00 0.00 ATOM 879 O ARG 113 14.044 4.027 8.011 1.00 0.00 ATOM 880 C ARG 113 14.076 5.052 7.326 1.00 0.00 ATOM 881 N ASN 114 15.064 5.339 6.479 1.00 0.00 ATOM 882 CA ASN 114 16.220 4.464 6.273 1.00 0.00 ATOM 883 CB ASN 114 17.001 4.294 7.576 1.00 0.00 ATOM 884 CG ASN 114 18.395 3.739 7.352 1.00 0.00 ATOM 885 ND2 ASN 114 18.928 3.060 8.361 1.00 0.00 ATOM 886 OD1 ASN 114 18.980 3.919 6.286 1.00 0.00 ATOM 887 O ASN 114 15.758 3.444 4.149 1.00 0.00 ATOM 888 C ASN 114 15.499 3.481 5.352 1.00 0.00 ATOM 889 N CYS 115 14.338 2.719 5.824 1.00 0.00 ATOM 890 CA CYS 115 13.613 1.741 5.029 1.00 0.00 ATOM 891 CB CYS 115 14.597 0.666 4.561 1.00 0.00 ATOM 892 SG CYS 115 13.941 -0.447 3.296 1.00 0.00 ATOM 893 O CYS 115 12.552 -0.163 6.069 1.00 0.00 ATOM 894 C CYS 115 12.509 1.043 5.820 1.00 0.00 ATOM 895 N GLY 116 11.558 1.856 6.264 1.00 0.00 ATOM 896 CA GLY 116 10.399 1.419 7.032 1.00 0.00 ATOM 897 O GLY 116 9.554 3.566 7.731 1.00 0.00 ATOM 898 C GLY 116 9.452 2.611 6.956 1.00 0.00 ATOM 899 N HIS 117 7.449 4.693 6.846 1.00 0.00 ATOM 900 CA HIS 117 6.743 5.332 7.966 1.00 0.00 ATOM 901 CB HIS 117 7.665 6.278 8.740 1.00 0.00 ATOM 902 CG HIS 117 7.094 6.748 10.041 1.00 0.00 ATOM 903 CD2 HIS 117 7.282 6.403 11.443 1.00 0.00 ATOM 904 ND1 HIS 117 6.145 7.744 10.121 1.00 0.00 ATOM 905 CE1 HIS 117 5.829 7.945 11.413 1.00 0.00 ATOM 906 NE2 HIS 117 6.507 7.143 12.211 1.00 0.00 ATOM 907 O HIS 117 5.679 6.775 6.364 1.00 0.00 ATOM 908 C HIS 117 5.562 6.122 7.405 1.00 0.00 ATOM 909 N ILE 118 4.427 6.065 8.095 1.00 0.00 ATOM 910 CA ILE 118 3.233 6.779 7.656 1.00 0.00 ATOM 911 CB ILE 118 2.005 5.850 7.603 1.00 0.00 ATOM 912 CG1 ILE 118 1.720 5.263 8.986 1.00 0.00 ATOM 913 CG2 ILE 118 2.251 4.702 6.635 1.00 0.00 ATOM 914 CD1 ILE 118 0.413 4.505 9.070 1.00 0.00 ATOM 915 O ILE 118 3.096 7.843 9.796 1.00 0.00 ATOM 916 C ILE 118 2.870 7.918 8.593 1.00 0.00 ATOM 917 N TYR 119 2.308 8.968 8.003 1.00 0.00 ATOM 918 CA TYR 119 1.817 10.143 8.730 1.00 0.00 ATOM 919 CB TYR 119 2.653 11.337 8.346 1.00 0.00 ATOM 920 CG TYR 119 4.073 11.234 8.858 1.00 0.00 ATOM 921 CD1 TYR 119 5.037 10.508 8.159 1.00 0.00 ATOM 922 CD2 TYR 119 4.438 11.818 10.076 1.00 0.00 ATOM 923 CE1 TYR 119 6.330 10.357 8.658 1.00 0.00 ATOM 924 CE2 TYR 119 5.729 11.669 10.583 1.00 0.00 ATOM 925 CZ TYR 119 6.665 10.935 9.865 1.00 0.00 ATOM 926 OH TYR 119 7.934 10.770 10.356 1.00 0.00 ATOM 927 O TYR 119 0.227 10.111 6.947 1.00 0.00 ATOM 928 C TYR 119 0.491 10.492 8.080 1.00 0.00 ATOM 929 N TYR 120 -0.361 11.231 8.784 1.00 0.00 ATOM 930 CA TYR 120 -1.656 11.586 8.230 1.00 0.00 ATOM 931 CB TYR 120 -2.805 10.922 9.036 1.00 0.00 ATOM 932 CG TYR 120 -2.952 9.441 8.857 1.00 0.00 ATOM 933 CD1 TYR 120 -2.199 8.564 9.621 1.00 0.00 ATOM 934 CD2 TYR 120 -3.835 8.911 7.920 1.00 0.00 ATOM 935 CE1 TYR 120 -2.315 7.191 9.458 1.00 0.00 ATOM 936 CE2 TYR 120 -3.958 7.526 7.749 1.00 0.00 ATOM 937 CZ TYR 120 -3.191 6.676 8.522 1.00 0.00 ATOM 938 OH TYR 120 -3.287 5.311 8.387 1.00 0.00 ATOM 939 O TYR 120 -1.162 13.828 8.928 1.00 0.00 ATOM 940 C TYR 120 -1.830 13.106 8.192 1.00 0.00 ATOM 941 N ILE 121 -2.647 13.648 7.270 1.00 0.00 ATOM 942 CA ILE 121 -2.896 15.091 7.190 1.00 0.00 ATOM 943 CB ILE 121 -2.733 15.630 5.758 1.00 0.00 ATOM 944 CG1 ILE 121 -1.299 15.416 5.269 1.00 0.00 ATOM 945 CG2 ILE 121 -3.041 17.118 5.710 1.00 0.00 ATOM 946 CD1 ILE 121 -1.107 15.705 3.795 1.00 0.00 ATOM 947 O ILE 121 -5.244 14.730 7.164 1.00 0.00 ATOM 948 C ILE 121 -4.310 15.335 7.647 1.00 0.00 ATOM 949 N LYS 122 -4.457 16.277 8.577 1.00 0.00 ATOM 950 CA LYS 122 -5.743 16.605 9.149 1.00 0.00 ATOM 951 CB LYS 122 -5.866 16.025 10.559 1.00 0.00 ATOM 952 CG LYS 122 -7.236 16.211 11.190 1.00 0.00 ATOM 953 CD LYS 122 -7.315 15.536 12.550 1.00 0.00 ATOM 954 CE LYS 122 -8.653 15.802 13.221 1.00 0.00 ATOM 955 NZ LYS 122 -8.762 15.108 14.534 1.00 0.00 ATOM 956 O LYS 122 -4.864 18.750 9.713 1.00 0.00 ATOM 957 C LYS 122 -5.766 18.133 9.165 1.00 0.00 ATOM 958 N ASN 123 -6.820 18.700 8.591 1.00 0.00 ATOM 959 CA ASN 123 -6.964 20.151 8.550 1.00 0.00 ATOM 960 CB ASN 123 -7.459 20.666 9.919 1.00 0.00 ATOM 961 CG ASN 123 -8.034 22.082 9.867 1.00 0.00 ATOM 962 ND2 ASN 123 -8.544 22.491 8.710 1.00 0.00 ATOM 963 OD1 ASN 123 -8.013 22.794 10.871 1.00 0.00 ATOM 964 O ASN 123 -5.319 21.863 8.668 1.00 0.00 ATOM 965 C ASN 123 -5.701 20.837 8.098 1.00 0.00 ATOM 966 N GLY 124 -5.045 20.280 7.054 1.00 0.00 ATOM 967 CA GLY 124 -3.873 20.900 6.456 1.00 0.00 ATOM 968 O GLY 124 -1.520 21.197 6.655 1.00 0.00 ATOM 969 C GLY 124 -2.535 20.691 7.133 1.00 0.00 ATOM 970 N ILE 125 -2.511 19.926 8.224 1.00 0.00 ATOM 971 CA ILE 125 -1.256 19.670 8.920 1.00 0.00 ATOM 972 CB ILE 125 -1.332 20.210 10.361 1.00 0.00 ATOM 973 CG1 ILE 125 -1.558 21.724 10.350 1.00 0.00 ATOM 974 CG2 ILE 125 -0.039 19.920 11.107 1.00 0.00 ATOM 975 CD1 ILE 125 -1.894 22.300 11.708 1.00 0.00 ATOM 976 O ILE 125 -1.834 17.352 9.200 1.00 0.00 ATOM 977 C ILE 125 -0.937 18.177 8.997 1.00 0.00 ATOM 978 N PRO 126 0.339 17.852 8.829 1.00 0.00 ATOM 979 CA PRO 126 0.792 16.462 8.938 1.00 0.00 ATOM 980 CB PRO 126 2.161 16.460 8.255 1.00 0.00 ATOM 981 CG PRO 126 2.668 17.853 8.433 1.00 0.00 ATOM 982 CD PRO 126 1.459 18.746 8.385 1.00 0.00 ATOM 983 O PRO 126 1.371 16.967 11.215 1.00 0.00 ATOM 984 C PRO 126 0.854 16.156 10.438 1.00 0.00 ATOM 985 N ASN 127 0.367 15.003 10.850 1.00 0.00 ATOM 986 CA ASN 127 0.334 14.647 12.272 1.00 0.00 ATOM 987 CB ASN 127 -0.818 14.817 12.938 1.00 0.00 ATOM 988 CG ASN 127 -0.661 16.178 13.546 1.00 0.00 ATOM 989 ND2 ASN 127 -1.699 16.993 13.457 1.00 0.00 ATOM 990 OD1 ASN 127 0.401 16.509 14.059 1.00 0.00 ATOM 991 O ASN 127 0.418 12.279 11.886 1.00 0.00 ATOM 992 C ASN 127 0.929 13.248 12.451 1.00 0.00 ATOM 993 N LEU 128 2.049 13.184 13.172 1.00 0.00 ATOM 994 CA LEU 128 2.736 11.895 13.397 1.00 0.00 ATOM 995 CB LEU 128 4.095 12.196 14.100 1.00 0.00 ATOM 996 CG LEU 128 4.884 10.944 14.522 1.00 0.00 ATOM 997 CD1 LEU 128 5.293 10.055 13.346 1.00 0.00 ATOM 998 CD2 LEU 128 6.113 11.383 15.241 1.00 0.00 ATOM 999 O LEU 128 1.837 9.725 13.841 1.00 0.00 ATOM 1000 C LEU 128 1.900 10.907 14.160 1.00 0.00 ATOM 1001 N LEU 129 1.217 11.465 15.162 1.00 0.00 ATOM 1002 CA LEU 129 0.482 10.600 16.056 1.00 0.00 ATOM 1003 CB LEU 129 0.566 11.224 17.447 1.00 0.00 ATOM 1004 CG LEU 129 1.930 11.296 18.113 1.00 0.00 ATOM 1005 CD1 LEU 129 1.775 11.981 19.465 1.00 0.00 ATOM 1006 CD2 LEU 129 2.553 9.914 18.285 1.00 0.00 ATOM 1007 O LEU 129 -1.652 9.649 16.356 1.00 0.00 ATOM 1008 C LEU 129 -0.971 10.389 15.648 1.00 0.00 ATOM 1009 N LEU 130 -1.415 11.021 14.567 1.00 0.00 ATOM 1010 CA LEU 130 -2.787 10.825 14.115 1.00 0.00 ATOM 1011 CB LEU 130 -3.080 11.389 12.740 1.00 0.00 ATOM 1012 CG LEU 130 -2.993 12.915 12.719 1.00 0.00 ATOM 1013 CD1 LEU 130 -3.152 13.520 11.301 1.00 0.00 ATOM 1014 CD2 LEU 130 -4.034 13.536 13.630 1.00 0.00 ATOM 1015 O LEU 130 -4.272 8.990 14.559 1.00 0.00 ATOM 1016 C LEU 130 -3.205 9.370 14.017 1.00 0.00 ATOM 1017 N PRO 131 -2.579 8.179 13.520 1.00 0.00 ATOM 1018 CA PRO 131 -3.098 6.814 13.361 1.00 0.00 ATOM 1019 CB PRO 131 -2.069 6.173 12.443 1.00 0.00 ATOM 1020 CG PRO 131 -0.839 6.995 12.576 1.00 0.00 ATOM 1021 CD PRO 131 -1.317 8.402 12.792 1.00 0.00 ATOM 1022 O PRO 131 -3.877 4.923 14.596 1.00 0.00 ATOM 1023 C PRO 131 -3.198 5.972 14.632 1.00 0.00 ATOM 1024 N PRO 132 -2.632 6.357 15.772 1.00 0.00 ATOM 1025 CA PRO 132 -2.775 5.553 16.989 1.00 0.00 ATOM 1026 CB PRO 132 -2.167 6.449 18.065 1.00 0.00 ATOM 1027 CG PRO 132 -1.091 7.169 17.315 1.00 0.00 ATOM 1028 CD PRO 132 -1.790 7.542 16.023 1.00 0.00 ATOM 1029 O PRO 132 -4.445 4.071 17.868 1.00 0.00 ATOM 1030 C PRO 132 -4.199 5.174 17.378 1.00 0.00 ATOM 1031 N HIS 133 -5.153 6.090 17.152 1.00 0.00 ATOM 1032 CA HIS 133 -6.540 5.817 17.498 1.00 0.00 ATOM 1033 CB HIS 133 -7.365 7.041 17.418 1.00 0.00 ATOM 1034 CG HIS 133 -6.848 8.112 18.328 1.00 0.00 ATOM 1035 CD2 HIS 133 -6.366 9.353 18.071 1.00 0.00 ATOM 1036 ND1 HIS 133 -6.713 7.925 19.692 1.00 0.00 ATOM 1037 CE1 HIS 133 -6.169 9.003 20.233 1.00 0.00 ATOM 1038 NE2 HIS 133 -5.957 9.882 19.274 1.00 0.00 ATOM 1039 O HIS 133 -8.098 4.051 17.120 1.00 0.00 ATOM 1040 C HIS 133 -7.118 4.661 16.694 1.00 0.00 ATOM 1041 N LEU 134 -6.531 4.357 15.542 1.00 0.00 ATOM 1042 CA LEU 134 -6.993 3.342 14.605 1.00 0.00 ATOM 1043 CB LEU 134 -6.799 4.203 13.165 1.00 0.00 ATOM 1044 CG LEU 134 -7.852 5.298 12.965 1.00 0.00 ATOM 1045 CD1 LEU 134 -7.533 6.115 11.717 1.00 0.00 ATOM 1046 CD2 LEU 134 -9.230 4.664 12.851 1.00 0.00 ATOM 1047 O LEU 134 -6.401 1.147 13.854 1.00 0.00 ATOM 1048 C LEU 134 -6.148 2.069 14.632 1.00 0.00 ATOM 1049 N VAL 135 -5.151 2.010 15.512 1.00 0.00 ATOM 1050 CA VAL 135 -4.287 0.827 15.594 1.00 0.00 ATOM 1051 CB VAL 135 -3.221 1.007 16.713 1.00 0.00 ATOM 1052 CG1 VAL 135 -2.252 2.116 16.342 1.00 0.00 ATOM 1053 CG2 VAL 135 -3.910 1.330 18.032 1.00 0.00 ATOM 1054 O VAL 135 -4.682 -1.532 15.339 1.00 0.00 ATOM 1055 C VAL 135 -5.047 -0.468 15.854 1.00 0.00 TER END