USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -82:sc= 1.07 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.7 K(o=2.8,f=-1.8!) USER MOD Set 2.1: A 69 LYS NZ :NH3+ -141:sc= 0.253 (180deg=-0.0851) USER MOD Set 2.2: A 70 TYR OH : rot -155:sc= 0.514 USER MOD Set 3.1: A 59 ASN : amide:sc= 1.8 K(o=2.6,f=-6!) USER MOD Set 3.2: A 62 GLN : amide:sc= 0.785 K(o=2.6,f=-6) USER MOD Set 4.1: A 49 TYR OH : rot 130:sc= 1.16 USER MOD Set 4.2: A 100 LYS NZ :NH3+ -170:sc= 0.33 (180deg=-0.281) USER MOD Set 5.1: A 8 THR OG1 : rot 180:sc= 1.1 USER MOD Set 5.2: A 11 SER OG : rot -84:sc= 2 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -106:sc= 0.185 (180deg=-0.0154) USER MOD Set 6.2: A 50 GLN : amide:sc= 1.11 K(o=1.3,f=0.1) USER MOD Single : A 1 SER N :NH3+ -154:sc= -0.115 (180deg=-0.744) USER MOD Single : A 1 SER OG : rot 180:sc= 0.534 USER MOD Single : A 6 HIS : no HE2:sc= -0.118 X(o=-0.12,f=-0.58) USER MOD Single : A 14 THR OG1 : rot 44:sc= 1.18 USER MOD Single : A 18 LYS NZ :NH3+ -171:sc= -0.159 (180deg=-0.315) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 1.67 (180deg=1.25) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 0.824 (180deg=0.73) USER MOD Single : A 63 ASN : amide:sc= 1.42 K(o=1.4,f=-5.2!) USER MOD Single : A 66 THR OG1 : rot -48:sc= 1.29 USER MOD Single : A 77 THR OG1 : rot 131:sc= 1.22 USER MOD Single : A 82 LYS NZ :NH3+ 178:sc= -0.0141 (180deg=-0.0313) USER MOD Single : A 83 ASN : amide:sc= 0.91 K(o=0.91,f=0.043) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.01) USER MOD Single : A 96 LYS NZ :NH3+ -170:sc= 1.92 (180deg=1.7) USER MOD Single : A 106 ASN : amide:sc= 1.18 K(o=1.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 8.183 -9.257 3.574 1.00 0.00 N ATOM 2 CA SER A 1 8.526 -8.784 2.246 1.00 0.00 C ATOM 3 C SER A 1 7.312 -8.929 1.328 1.00 0.00 C ATOM 4 O SER A 1 6.639 -7.958 0.992 1.00 0.00 O ATOM 5 CB SER A 1 9.711 -9.623 1.754 1.00 0.00 C ATOM 6 OG SER A 1 9.450 -10.996 2.005 1.00 0.00 O ATOM 0 H1 SER A 1 8.787 -8.785 4.277 1.00 0.00 H new ATOM 0 H2 SER A 1 7.185 -9.040 3.773 1.00 0.00 H new ATOM 0 H3 SER A 1 8.331 -10.285 3.625 1.00 0.00 H new ATOM 0 HA SER A 1 8.806 -7.731 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 1 9.869 -9.460 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.625 -9.316 2.262 1.00 0.00 H new ATOM 0 HG SER A 1 10.205 -11.535 1.690 1.00 0.00 H new ATOM 12 N ASP A 2 7.039 -10.165 0.915 1.00 0.00 N ATOM 13 CA ASP A 2 5.928 -10.506 0.038 1.00 0.00 C ATOM 14 C ASP A 2 4.620 -10.428 0.824 1.00 0.00 C ATOM 15 O ASP A 2 3.980 -11.444 1.080 1.00 0.00 O ATOM 16 CB ASP A 2 6.159 -11.888 -0.585 1.00 0.00 C ATOM 17 CG ASP A 2 7.377 -11.891 -1.504 1.00 0.00 C ATOM 18 OD1 ASP A 2 8.495 -12.046 -0.965 1.00 0.00 O ATOM 19 OD2 ASP A 2 7.169 -11.726 -2.725 1.00 0.00 O ATOM 0 H ASP A 2 7.598 -10.973 1.189 1.00 0.00 H new ATOM 0 HA ASP A 2 5.861 -9.793 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.296 -12.626 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.275 -12.186 -1.149 1.00 0.00 H new ATOM 24 N LYS A 3 4.230 -9.209 1.201 1.00 0.00 N ATOM 25 CA LYS A 3 3.024 -8.908 1.956 1.00 0.00 C ATOM 26 C LYS A 3 2.228 -7.909 1.127 1.00 0.00 C ATOM 27 O LYS A 3 1.821 -6.852 1.603 1.00 0.00 O ATOM 28 CB LYS A 3 3.408 -8.368 3.342 1.00 0.00 C ATOM 29 CG LYS A 3 4.215 -9.416 4.123 1.00 0.00 C ATOM 30 CD LYS A 3 4.424 -9.022 5.591 1.00 0.00 C ATOM 31 CE LYS A 3 5.310 -7.779 5.733 1.00 0.00 C ATOM 32 NZ LYS A 3 5.647 -7.526 7.144 1.00 0.00 N ATOM 0 H LYS A 3 4.772 -8.374 0.977 1.00 0.00 H new ATOM 0 HA LYS A 3 2.410 -9.791 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.994 -7.456 3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.508 -8.105 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.699 -10.375 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.185 -9.553 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.457 -8.833 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.879 -9.854 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.225 -7.913 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.795 -6.912 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 5.101 -6.711 7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.415 -8.365 7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.663 -7.322 7.227 1.00 0.00 H new ATOM 46 N ILE A 4 2.042 -8.263 -0.146 1.00 0.00 N ATOM 47 CA ILE A 4 1.355 -7.462 -1.137 1.00 0.00 C ATOM 48 C ILE A 4 0.010 -8.106 -1.442 1.00 0.00 C ATOM 49 O ILE A 4 -0.073 -9.323 -1.600 1.00 0.00 O ATOM 50 CB ILE A 4 2.232 -7.352 -2.394 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.537 -6.621 -2.038 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.463 -6.633 -3.509 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.311 -6.163 -3.271 1.00 0.00 C ATOM 0 H ILE A 4 2.382 -9.149 -0.520 1.00 0.00 H new ATOM 0 HA ILE A 4 1.175 -6.453 -0.765 1.00 0.00 H new ATOM 0 HB ILE A 4 2.487 -8.346 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.306 -5.756 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.168 -7.281 -1.443 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.092 -6.560 -4.396 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.561 -7.195 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.189 -5.632 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.223 -5.653 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.569 -7.029 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.694 -5.479 -3.854 1.00 0.00 H new ATOM 65 N ILE A 5 -1.035 -7.285 -1.549 1.00 0.00 N ATOM 66 CA ILE A 5 -2.371 -7.763 -1.886 1.00 0.00 C ATOM 67 C ILE A 5 -2.501 -7.843 -3.402 1.00 0.00 C ATOM 68 O ILE A 5 -1.910 -7.048 -4.122 1.00 0.00 O ATOM 69 CB ILE A 5 -3.447 -6.881 -1.224 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.217 -6.850 0.298 1.00 0.00 C ATOM 71 CG2 ILE A 5 -4.861 -7.391 -1.551 1.00 0.00 C ATOM 72 CD1 ILE A 5 -4.294 -6.071 1.054 1.00 0.00 C ATOM 0 H ILE A 5 -0.978 -6.277 -1.405 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.528 -8.766 -1.490 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.365 -5.869 -1.621 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.185 -7.872 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.244 -6.404 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.599 -6.749 -1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.013 -7.374 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.974 -8.411 -1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.073 -6.087 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.311 -5.039 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.267 -6.530 0.878 1.00 0.00 H new ATOM 84 N HIS A 6 -3.272 -8.813 -3.888 1.00 0.00 N ATOM 85 CA HIS A 6 -3.484 -9.051 -5.306 1.00 0.00 C ATOM 86 C HIS A 6 -4.965 -8.841 -5.592 1.00 0.00 C ATOM 87 O HIS A 6 -5.788 -9.698 -5.287 1.00 0.00 O ATOM 88 CB HIS A 6 -2.932 -10.438 -5.641 1.00 0.00 C ATOM 89 CG HIS A 6 -1.433 -10.453 -5.444 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.742 -10.936 -4.344 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.580 -9.641 -6.134 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.515 -10.451 -4.407 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.637 -9.677 -5.495 1.00 0.00 N ATOM 0 H HIS A 6 -3.776 -9.468 -3.290 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.951 -8.358 -5.957 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.399 -11.189 -5.004 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.175 -10.697 -6.671 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.116 -11.547 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.818 -9.073 -7.021 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.300 -10.654 -3.693 1.00 0.00 H new ATOM 102 N LEU A 7 -5.288 -7.655 -6.113 1.00 0.00 N ATOM 103 CA LEU A 7 -6.646 -7.199 -6.336 1.00 0.00 C ATOM 104 C LEU A 7 -7.189 -7.571 -7.711 1.00 0.00 C ATOM 105 O LEU A 7 -6.442 -7.878 -8.639 1.00 0.00 O ATOM 106 CB LEU A 7 -6.665 -5.672 -6.207 1.00 0.00 C ATOM 107 CG LEU A 7 -6.165 -5.144 -4.855 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.147 -3.617 -4.919 1.00 0.00 C ATOM 109 CD2 LEU A 7 -7.097 -5.574 -3.723 1.00 0.00 C ATOM 0 H LEU A 7 -4.586 -6.972 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.280 -7.687 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.051 -5.245 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.684 -5.319 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.171 -5.546 -4.659 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.795 -3.217 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.480 -3.294 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.154 -3.249 -5.116 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.721 -5.188 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.097 -5.179 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.139 -6.662 -3.680 1.00 0.00 H new ATOM 121 N THR A 8 -8.513 -7.464 -7.829 1.00 0.00 N ATOM 122 CA THR A 8 -9.281 -7.635 -9.046 1.00 0.00 C ATOM 123 C THR A 8 -10.282 -6.483 -9.090 1.00 0.00 C ATOM 124 O THR A 8 -10.543 -5.864 -8.057 1.00 0.00 O ATOM 125 CB THR A 8 -10.006 -8.992 -9.061 1.00 0.00 C ATOM 126 OG1 THR A 8 -10.988 -9.055 -8.039 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.025 -10.156 -8.894 1.00 0.00 C ATOM 0 H THR A 8 -9.104 -7.243 -7.028 1.00 0.00 H new ATOM 0 HA THR A 8 -8.630 -7.625 -9.920 1.00 0.00 H new ATOM 0 HB THR A 8 -10.492 -9.082 -10.033 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.436 -9.926 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.573 -11.098 -8.909 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.302 -10.143 -9.710 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.501 -10.056 -7.944 1.00 0.00 H new ATOM 135 N ASP A 9 -10.869 -6.196 -10.254 1.00 0.00 N ATOM 136 CA ASP A 9 -11.864 -5.136 -10.376 1.00 0.00 C ATOM 137 C ASP A 9 -13.003 -5.383 -9.382 1.00 0.00 C ATOM 138 O ASP A 9 -13.449 -4.474 -8.688 1.00 0.00 O ATOM 139 CB ASP A 9 -12.396 -5.077 -11.810 1.00 0.00 C ATOM 140 CG ASP A 9 -13.276 -3.847 -12.005 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.687 -2.764 -12.226 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.512 -4.009 -11.930 1.00 0.00 O ATOM 0 H ASP A 9 -10.670 -6.686 -11.126 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.402 -4.176 -10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.563 -5.050 -12.512 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.968 -5.979 -12.029 1.00 0.00 H new ATOM 147 N ASP A 10 -13.447 -6.640 -9.319 1.00 0.00 N ATOM 148 CA ASP A 10 -14.517 -7.104 -8.449 1.00 0.00 C ATOM 149 C ASP A 10 -14.207 -6.842 -6.974 1.00 0.00 C ATOM 150 O ASP A 10 -15.074 -6.390 -6.232 1.00 0.00 O ATOM 151 CB ASP A 10 -14.751 -8.607 -8.666 1.00 0.00 C ATOM 152 CG ASP A 10 -14.992 -8.953 -10.131 1.00 0.00 C ATOM 153 OD1 ASP A 10 -13.984 -8.962 -10.874 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.166 -9.197 -10.481 1.00 0.00 O ATOM 0 H ASP A 10 -13.054 -7.385 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.417 -6.545 -8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.887 -9.163 -8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.608 -8.927 -8.074 1.00 0.00 H new ATOM 159 N SER A 11 -12.978 -7.134 -6.537 1.00 0.00 N ATOM 160 CA SER A 11 -12.604 -6.974 -5.136 1.00 0.00 C ATOM 161 C SER A 11 -12.319 -5.509 -4.803 1.00 0.00 C ATOM 162 O SER A 11 -12.564 -5.079 -3.674 1.00 0.00 O ATOM 163 CB SER A 11 -11.404 -7.873 -4.814 1.00 0.00 C ATOM 164 OG SER A 11 -10.353 -7.681 -5.741 1.00 0.00 O ATOM 0 H SER A 11 -12.229 -7.482 -7.136 1.00 0.00 H new ATOM 0 HA SER A 11 -13.441 -7.282 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.047 -7.659 -3.807 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.716 -8.917 -4.826 1.00 0.00 H new ATOM 0 HG SER A 11 -10.517 -8.226 -6.539 1.00 0.00 H new ATOM 170 N PHE A 12 -11.791 -4.762 -5.775 1.00 0.00 N ATOM 171 CA PHE A 12 -11.404 -3.361 -5.692 1.00 0.00 C ATOM 172 C PHE A 12 -12.251 -2.503 -4.750 1.00 0.00 C ATOM 173 O PHE A 12 -11.706 -1.816 -3.893 1.00 0.00 O ATOM 174 CB PHE A 12 -11.397 -2.741 -7.093 1.00 0.00 C ATOM 175 CG PHE A 12 -10.492 -1.538 -7.191 1.00 0.00 C ATOM 176 CD1 PHE A 12 -9.123 -1.739 -7.428 1.00 0.00 C ATOM 177 CD2 PHE A 12 -10.975 -0.245 -6.915 1.00 0.00 C ATOM 178 CE1 PHE A 12 -8.248 -0.645 -7.476 1.00 0.00 C ATOM 179 CE2 PHE A 12 -10.088 0.843 -6.902 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.730 0.646 -7.208 1.00 0.00 C ATOM 0 H PHE A 12 -11.612 -5.150 -6.701 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.405 -3.365 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.078 -3.491 -7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.412 -2.450 -7.363 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.743 -2.739 -7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.025 -0.090 -6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.206 -0.795 -7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.449 1.831 -6.657 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.056 1.490 -7.237 1.00 0.00 H new ATOM 190 N ASP A 13 -13.577 -2.499 -4.903 1.00 0.00 N ATOM 191 CA ASP A 13 -14.428 -1.669 -4.057 1.00 0.00 C ATOM 192 C ASP A 13 -14.176 -1.958 -2.574 1.00 0.00 C ATOM 193 O ASP A 13 -13.759 -1.089 -1.808 1.00 0.00 O ATOM 194 CB ASP A 13 -15.905 -1.882 -4.414 1.00 0.00 C ATOM 195 CG ASP A 13 -16.807 -1.112 -3.452 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.945 0.112 -3.661 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.321 -1.759 -2.514 1.00 0.00 O ATOM 0 H ASP A 13 -14.077 -3.055 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 13 -14.178 -0.624 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -16.089 -1.552 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.145 -2.945 -4.374 1.00 0.00 H new ATOM 202 N THR A 14 -14.432 -3.196 -2.170 1.00 0.00 N ATOM 203 CA THR A 14 -14.270 -3.645 -0.805 1.00 0.00 C ATOM 204 C THR A 14 -12.826 -3.540 -0.329 1.00 0.00 C ATOM 205 O THR A 14 -12.564 -3.146 0.806 1.00 0.00 O ATOM 206 CB THR A 14 -14.762 -5.100 -0.734 1.00 0.00 C ATOM 207 OG1 THR A 14 -14.641 -5.727 -2.003 1.00 0.00 O ATOM 208 CG2 THR A 14 -16.237 -5.134 -0.342 1.00 0.00 C ATOM 0 H THR A 14 -14.765 -3.926 -2.800 1.00 0.00 H new ATOM 0 HA THR A 14 -14.853 -3.004 -0.143 1.00 0.00 H new ATOM 0 HB THR A 14 -14.155 -5.623 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.772 -5.503 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.577 -6.169 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 14 -16.365 -4.664 0.633 1.00 0.00 H new ATOM 0 HG23 THR A 14 -16.823 -4.593 -1.085 1.00 0.00 H new ATOM 216 N ASP A 15 -11.888 -3.946 -1.179 1.00 0.00 N ATOM 217 CA ASP A 15 -10.490 -4.032 -0.805 1.00 0.00 C ATOM 218 C ASP A 15 -9.790 -2.679 -0.777 1.00 0.00 C ATOM 219 O ASP A 15 -8.842 -2.532 -0.015 1.00 0.00 O ATOM 220 CB ASP A 15 -9.758 -4.992 -1.743 1.00 0.00 C ATOM 221 CG ASP A 15 -10.124 -6.456 -1.507 1.00 0.00 C ATOM 222 OD1 ASP A 15 -11.338 -6.748 -1.435 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.178 -7.266 -1.421 1.00 0.00 O ATOM 0 H ASP A 15 -12.080 -4.223 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.459 -4.414 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.988 -4.728 -2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.683 -4.867 -1.614 1.00 0.00 H new ATOM 228 N VAL A 16 -10.195 -1.723 -1.619 1.00 0.00 N ATOM 229 CA VAL A 16 -9.558 -0.420 -1.737 1.00 0.00 C ATOM 230 C VAL A 16 -10.489 0.696 -1.284 1.00 0.00 C ATOM 231 O VAL A 16 -10.174 1.421 -0.342 1.00 0.00 O ATOM 232 CB VAL A 16 -9.090 -0.184 -3.184 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.319 1.136 -3.316 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.198 -1.331 -3.665 1.00 0.00 C ATOM 0 H VAL A 16 -10.990 -1.841 -2.247 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.688 -0.410 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.986 -0.135 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.003 1.271 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.963 1.965 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.442 1.111 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.881 -1.140 -4.690 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.321 -1.404 -3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.756 -2.267 -3.626 1.00 0.00 H new ATOM 244 N LEU A 17 -11.629 0.855 -1.961 1.00 0.00 N ATOM 245 CA LEU A 17 -12.528 1.965 -1.672 1.00 0.00 C ATOM 246 C LEU A 17 -13.010 1.947 -0.222 1.00 0.00 C ATOM 247 O LEU A 17 -13.152 3.002 0.390 1.00 0.00 O ATOM 248 CB LEU A 17 -13.661 2.070 -2.703 1.00 0.00 C ATOM 249 CG LEU A 17 -13.146 2.161 -4.154 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.331 2.352 -5.104 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.161 3.321 -4.361 1.00 0.00 C ATOM 0 H LEU A 17 -11.946 0.234 -2.705 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.957 2.888 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.313 1.202 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.266 2.949 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.617 1.231 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -13.968 2.416 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.011 1.505 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.859 3.271 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.831 3.337 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.653 4.264 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.298 3.187 -3.708 1.00 0.00 H new ATOM 263 N LYS A 18 -13.237 0.758 0.342 1.00 0.00 N ATOM 264 CA LYS A 18 -13.662 0.635 1.732 1.00 0.00 C ATOM 265 C LYS A 18 -12.482 0.457 2.705 1.00 0.00 C ATOM 266 O LYS A 18 -12.721 0.231 3.891 1.00 0.00 O ATOM 267 CB LYS A 18 -14.689 -0.498 1.868 1.00 0.00 C ATOM 268 CG LYS A 18 -15.897 -0.280 0.942 1.00 0.00 C ATOM 269 CD LYS A 18 -17.005 -1.323 1.170 1.00 0.00 C ATOM 270 CE LYS A 18 -18.086 -0.855 2.152 1.00 0.00 C ATOM 271 NZ LYS A 18 -17.553 -0.586 3.496 1.00 0.00 N ATOM 0 H LYS A 18 -13.133 -0.132 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 18 -14.137 1.574 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.215 -1.450 1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.029 -0.560 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.302 0.719 1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.568 -0.324 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.471 -1.562 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.557 -2.243 1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.557 0.049 1.765 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.864 -1.616 2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.340 -0.422 4.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.996 -1.403 3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.945 0.257 3.466 1.00 0.00 H new ATOM 285 N ALA A 19 -11.219 0.551 2.265 1.00 0.00 N ATOM 286 CA ALA A 19 -10.099 0.359 3.173 1.00 0.00 C ATOM 287 C ALA A 19 -9.793 1.627 3.964 1.00 0.00 C ATOM 288 O ALA A 19 -9.106 2.516 3.462 1.00 0.00 O ATOM 289 CB ALA A 19 -8.870 -0.076 2.384 1.00 0.00 C ATOM 0 H ALA A 19 -10.958 0.756 1.300 1.00 0.00 H new ATOM 0 HA ALA A 19 -10.371 -0.418 3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.032 -0.219 3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.082 -1.012 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.616 0.692 1.653 1.00 0.00 H new ATOM 295 N ASP A 20 -10.258 1.694 5.215 1.00 0.00 N ATOM 296 CA ASP A 20 -9.959 2.801 6.118 1.00 0.00 C ATOM 297 C ASP A 20 -8.490 2.701 6.552 1.00 0.00 C ATOM 298 O ASP A 20 -8.183 2.289 7.668 1.00 0.00 O ATOM 299 CB ASP A 20 -10.923 2.779 7.314 1.00 0.00 C ATOM 300 CG ASP A 20 -10.670 3.908 8.317 1.00 0.00 C ATOM 301 OD1 ASP A 20 -9.854 4.806 8.010 1.00 0.00 O ATOM 302 OD2 ASP A 20 -11.311 3.849 9.389 1.00 0.00 O ATOM 0 H ASP A 20 -10.855 0.977 5.628 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.101 3.757 5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -11.947 2.851 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.834 1.821 7.826 1.00 0.00 H new ATOM 307 N GLY A 21 -7.584 3.049 5.640 1.00 0.00 N ATOM 308 CA GLY A 21 -6.147 3.013 5.821 1.00 0.00 C ATOM 309 C GLY A 21 -5.503 3.582 4.559 1.00 0.00 C ATOM 310 O GLY A 21 -6.200 4.193 3.744 1.00 0.00 O ATOM 0 H GLY A 21 -7.852 3.378 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -5.857 3.597 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -5.809 1.991 5.995 1.00 0.00 H new ATOM 314 N ALA A 22 -4.194 3.369 4.392 1.00 0.00 N ATOM 315 CA ALA A 22 -3.429 3.822 3.239 1.00 0.00 C ATOM 316 C ALA A 22 -3.070 2.602 2.391 1.00 0.00 C ATOM 317 O ALA A 22 -2.254 1.780 2.808 1.00 0.00 O ATOM 318 CB ALA A 22 -2.180 4.567 3.717 1.00 0.00 C ATOM 0 H ALA A 22 -3.629 2.864 5.075 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.012 4.513 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.607 4.907 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.477 5.427 4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.566 3.898 4.320 1.00 0.00 H new ATOM 324 N ILE A 23 -3.679 2.482 1.210 1.00 0.00 N ATOM 325 CA ILE A 23 -3.471 1.389 0.273 1.00 0.00 C ATOM 326 C ILE A 23 -2.748 1.930 -0.958 1.00 0.00 C ATOM 327 O ILE A 23 -3.216 2.888 -1.570 1.00 0.00 O ATOM 328 CB ILE A 23 -4.814 0.707 -0.072 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.148 -0.341 1.001 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.804 0.044 -1.457 1.00 0.00 C ATOM 331 CD1 ILE A 23 -6.361 -1.206 0.696 1.00 0.00 C ATOM 0 H ILE A 23 -4.353 3.170 0.873 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.845 0.617 0.721 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.576 1.486 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.282 -0.989 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.314 0.171 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.773 -0.419 -1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.607 0.797 -2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.025 -0.718 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.517 -1.914 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.242 -0.573 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.195 -1.752 -0.233 1.00 0.00 H new ATOM 343 N LEU A 24 -1.634 1.303 -1.337 1.00 0.00 N ATOM 344 CA LEU A 24 -0.869 1.671 -2.522 1.00 0.00 C ATOM 345 C LEU A 24 -1.114 0.606 -3.583 1.00 0.00 C ATOM 346 O LEU A 24 -0.536 -0.475 -3.497 1.00 0.00 O ATOM 347 CB LEU A 24 0.615 1.779 -2.163 1.00 0.00 C ATOM 348 CG LEU A 24 1.479 2.260 -3.344 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.440 3.780 -3.499 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.924 1.775 -3.171 1.00 0.00 C ATOM 0 H LEU A 24 -1.236 0.517 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.182 2.641 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.733 2.469 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.975 0.807 -1.827 1.00 0.00 H new ATOM 0 HG LEU A 24 1.063 1.831 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.063 4.076 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.413 4.102 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.816 4.248 -2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.527 2.120 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.333 2.174 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.940 0.686 -3.136 1.00 0.00 H new ATOM 362 N VAL A 25 -1.953 0.899 -4.579 1.00 0.00 N ATOM 363 CA VAL A 25 -2.246 -0.040 -5.653 1.00 0.00 C ATOM 364 C VAL A 25 -1.262 0.172 -6.800 1.00 0.00 C ATOM 365 O VAL A 25 -1.252 1.241 -7.412 1.00 0.00 O ATOM 366 CB VAL A 25 -3.685 0.103 -6.175 1.00 0.00 C ATOM 367 CG1 VAL A 25 -3.960 -1.009 -7.199 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.723 0.016 -5.055 1.00 0.00 C ATOM 0 H VAL A 25 -2.444 1.790 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.143 -1.046 -5.247 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.773 1.089 -6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.979 -0.914 -7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.258 -0.921 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.838 -1.981 -6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.723 0.123 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.641 -0.950 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.547 0.813 -4.333 1.00 0.00 H new ATOM 378 N ASP A 26 -0.476 -0.860 -7.110 1.00 0.00 N ATOM 379 CA ASP A 26 0.445 -0.895 -8.230 1.00 0.00 C ATOM 380 C ASP A 26 -0.243 -1.598 -9.400 1.00 0.00 C ATOM 381 O ASP A 26 -0.420 -2.818 -9.387 1.00 0.00 O ATOM 382 CB ASP A 26 1.736 -1.619 -7.836 1.00 0.00 C ATOM 383 CG ASP A 26 2.554 -1.975 -9.071 1.00 0.00 C ATOM 384 OD1 ASP A 26 3.045 -3.092 -9.201 1.00 0.00 O ATOM 385 OD2 ASP A 26 2.692 -1.028 -10.036 1.00 0.00 O ATOM 0 H ASP A 26 -0.468 -1.722 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 26 0.715 0.119 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.326 -0.986 -7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.495 -2.525 -7.280 1.00 0.00 H new ATOM 391 N PHE A 27 -0.612 -0.837 -10.423 1.00 0.00 N ATOM 392 CA PHE A 27 -1.231 -1.380 -11.618 1.00 0.00 C ATOM 393 C PHE A 27 -0.109 -1.957 -12.479 1.00 0.00 C ATOM 394 O PHE A 27 0.830 -1.233 -12.817 1.00 0.00 O ATOM 395 CB PHE A 27 -2.026 -0.282 -12.329 1.00 0.00 C ATOM 396 CG PHE A 27 -3.303 0.097 -11.596 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.250 0.833 -10.396 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.552 -0.297 -12.109 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.434 1.155 -9.713 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.736 0.042 -11.431 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.679 0.764 -10.229 1.00 0.00 C ATOM 0 H PHE A 27 -0.489 0.175 -10.444 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.944 -2.173 -11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.398 0.603 -12.435 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.277 -0.617 -13.335 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.297 1.150 -10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.602 -0.862 -13.028 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.386 1.707 -8.786 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.692 -0.254 -11.836 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.588 1.017 -9.704 1.00 0.00 H new ATOM 411 N TRP A 28 -0.187 -3.254 -12.794 1.00 0.00 N ATOM 412 CA TRP A 28 0.833 -3.970 -13.547 1.00 0.00 C ATOM 413 C TRP A 28 0.215 -4.902 -14.592 1.00 0.00 C ATOM 414 O TRP A 28 -1.007 -4.975 -14.717 1.00 0.00 O ATOM 415 CB TRP A 28 1.754 -4.711 -12.564 1.00 0.00 C ATOM 416 CG TRP A 28 1.224 -5.971 -11.960 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.367 -6.069 -10.922 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.513 -7.336 -12.371 1.00 0.00 C ATOM 419 NE1 TRP A 28 0.085 -7.401 -10.686 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.715 -8.226 -11.597 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.388 -7.911 -13.316 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.718 -9.615 -11.819 1.00 0.00 C ATOM 423 CZ3 TRP A 28 2.416 -9.297 -13.529 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.535 -10.142 -12.836 1.00 0.00 C ATOM 0 H TRP A 28 -0.977 -3.841 -12.525 1.00 0.00 H new ATOM 0 HA TRP A 28 1.434 -3.257 -14.111 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.683 -4.948 -13.082 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.007 -4.027 -11.754 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.035 -5.237 -10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.515 -7.734 -9.931 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.048 -7.273 -13.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.102 -10.267 -11.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.121 -9.717 -14.231 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.485 -11.192 -13.082 1.00 0.00 H new ATOM 435 N ALA A 29 1.067 -5.602 -15.349 1.00 0.00 N ATOM 436 CA ALA A 29 0.687 -6.531 -16.409 1.00 0.00 C ATOM 437 C ALA A 29 1.795 -7.567 -16.603 1.00 0.00 C ATOM 438 O ALA A 29 2.959 -7.247 -16.365 1.00 0.00 O ATOM 439 CB ALA A 29 0.510 -5.743 -17.708 1.00 0.00 C ATOM 0 H ALA A 29 2.078 -5.531 -15.232 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.241 -7.037 -16.142 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.226 -6.424 -18.511 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.270 -4.993 -17.575 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.448 -5.250 -17.965 1.00 0.00 H new ATOM 445 N GLU A 30 1.472 -8.777 -17.075 1.00 0.00 N ATOM 446 CA GLU A 30 2.466 -9.826 -17.323 1.00 0.00 C ATOM 447 C GLU A 30 3.629 -9.329 -18.191 1.00 0.00 C ATOM 448 O GLU A 30 4.769 -9.733 -17.990 1.00 0.00 O ATOM 449 CB GLU A 30 1.822 -11.050 -17.989 1.00 0.00 C ATOM 450 CG GLU A 30 1.242 -12.076 -17.008 1.00 0.00 C ATOM 451 CD GLU A 30 0.037 -11.574 -16.231 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.808 -10.897 -16.855 1.00 0.00 O ATOM 453 OE2 GLU A 30 -0.036 -11.900 -15.028 1.00 0.00 O ATOM 0 H GLU A 30 0.516 -9.055 -17.295 1.00 0.00 H new ATOM 0 HA GLU A 30 2.864 -10.110 -16.349 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.027 -10.710 -18.652 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.568 -11.543 -18.612 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.958 -12.972 -17.560 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.020 -12.370 -16.303 1.00 0.00 H new ATOM 460 N TRP A 31 3.334 -8.474 -19.169 1.00 0.00 N ATOM 461 CA TRP A 31 4.314 -7.932 -20.103 1.00 0.00 C ATOM 462 C TRP A 31 5.031 -6.684 -19.565 1.00 0.00 C ATOM 463 O TRP A 31 5.945 -6.169 -20.207 1.00 0.00 O ATOM 464 CB TRP A 31 3.596 -7.640 -21.427 1.00 0.00 C ATOM 465 CG TRP A 31 2.335 -6.834 -21.319 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.088 -7.345 -21.197 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.177 -5.382 -21.290 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.174 -6.318 -21.102 1.00 0.00 N ATOM 469 CE2 TRP A 31 0.787 -5.084 -21.164 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.064 -4.287 -21.350 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.304 -3.767 -21.114 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.592 -2.962 -21.289 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.214 -2.701 -21.182 1.00 0.00 C ATOM 0 H TRP A 31 2.387 -8.133 -19.336 1.00 0.00 H new ATOM 0 HA TRP A 31 5.102 -8.670 -20.252 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.287 -7.113 -22.085 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.359 -8.589 -21.908 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.846 -8.397 -21.177 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.832 -6.454 -20.999 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.124 -4.468 -21.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.755 -3.576 -21.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.292 -2.141 -21.325 1.00 0.00 H new ATOM 0 HH2 TRP A 31 0.857 -1.682 -21.152 1.00 0.00 H new ATOM 484 N CYS A 32 4.645 -6.176 -18.392 1.00 0.00 N ATOM 485 CA CYS A 32 5.245 -4.968 -17.843 1.00 0.00 C ATOM 486 C CYS A 32 6.595 -5.271 -17.190 1.00 0.00 C ATOM 487 O CYS A 32 6.689 -5.381 -15.970 1.00 0.00 O ATOM 488 CB CYS A 32 4.302 -4.335 -16.824 1.00 0.00 C ATOM 489 SG CYS A 32 4.979 -2.852 -16.049 1.00 0.00 S ATOM 0 H CYS A 32 3.918 -6.587 -17.807 1.00 0.00 H new ATOM 0 HA CYS A 32 5.413 -4.269 -18.662 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.363 -4.083 -17.316 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.070 -5.067 -16.050 1.00 0.00 H new ATOM 494 N GLY A 33 7.649 -5.397 -18.000 1.00 0.00 N ATOM 495 CA GLY A 33 9.013 -5.638 -17.532 1.00 0.00 C ATOM 496 C GLY A 33 9.360 -4.827 -16.270 1.00 0.00 C ATOM 497 O GLY A 33 9.664 -5.409 -15.226 1.00 0.00 O ATOM 0 H GLY A 33 7.576 -5.333 -19.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.138 -6.700 -17.322 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.715 -5.385 -18.326 1.00 0.00 H new ATOM 501 N PRO A 34 9.298 -3.486 -16.332 1.00 0.00 N ATOM 502 CA PRO A 34 9.584 -2.617 -15.199 1.00 0.00 C ATOM 503 C PRO A 34 8.768 -2.945 -13.941 1.00 0.00 C ATOM 504 O PRO A 34 9.241 -2.723 -12.828 1.00 0.00 O ATOM 505 CB PRO A 34 9.306 -1.193 -15.686 1.00 0.00 C ATOM 506 CG PRO A 34 9.500 -1.293 -17.199 1.00 0.00 C ATOM 507 CD PRO A 34 8.973 -2.691 -17.507 1.00 0.00 C ATOM 0 HA PRO A 34 10.619 -2.754 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.297 -0.871 -15.431 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.993 -0.474 -15.239 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.942 -0.523 -17.732 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.547 -1.182 -17.482 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.898 -2.676 -17.688 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.441 -3.101 -18.402 1.00 0.00 H new ATOM 515 N CYS A 35 7.555 -3.491 -14.087 1.00 0.00 N ATOM 516 CA CYS A 35 6.738 -3.840 -12.932 1.00 0.00 C ATOM 517 C CYS A 35 7.457 -4.913 -12.112 1.00 0.00 C ATOM 518 O CYS A 35 7.524 -4.825 -10.885 1.00 0.00 O ATOM 519 CB CYS A 35 5.319 -4.277 -13.311 1.00 0.00 C ATOM 520 SG CYS A 35 4.260 -3.034 -14.110 1.00 0.00 S ATOM 0 H CYS A 35 7.125 -3.697 -14.989 1.00 0.00 H new ATOM 0 HA CYS A 35 6.612 -2.942 -12.326 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.395 -5.136 -13.978 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.817 -4.619 -12.406 1.00 0.00 H new ATOM 525 N LYS A 36 8.046 -5.907 -12.787 1.00 0.00 N ATOM 526 CA LYS A 36 8.815 -6.940 -12.102 1.00 0.00 C ATOM 527 C LYS A 36 10.062 -6.322 -11.472 1.00 0.00 C ATOM 528 O LYS A 36 10.462 -6.730 -10.386 1.00 0.00 O ATOM 529 CB LYS A 36 9.187 -8.100 -13.035 1.00 0.00 C ATOM 530 CG LYS A 36 7.951 -8.752 -13.670 1.00 0.00 C ATOM 531 CD LYS A 36 7.900 -8.418 -15.163 1.00 0.00 C ATOM 532 CE LYS A 36 6.549 -8.740 -15.804 1.00 0.00 C ATOM 533 NZ LYS A 36 5.477 -7.886 -15.265 1.00 0.00 N ATOM 0 H LYS A 36 8.003 -6.014 -13.800 1.00 0.00 H new ATOM 0 HA LYS A 36 8.187 -7.361 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.847 -7.734 -13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.744 -8.851 -12.474 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.986 -9.832 -13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.046 -8.396 -13.177 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.117 -7.359 -15.300 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.682 -8.973 -15.680 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.616 -8.604 -16.883 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.303 -9.787 -15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.631 -7.971 -15.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.247 -8.187 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.795 -6.896 -15.253 1.00 0.00 H new ATOM 547 N MET A 37 10.667 -5.328 -12.130 1.00 0.00 N ATOM 548 CA MET A 37 11.838 -4.650 -11.589 1.00 0.00 C ATOM 549 C MET A 37 11.482 -3.953 -10.272 1.00 0.00 C ATOM 550 O MET A 37 12.240 -4.052 -9.309 1.00 0.00 O ATOM 551 CB MET A 37 12.437 -3.676 -12.614 1.00 0.00 C ATOM 552 CG MET A 37 12.899 -4.398 -13.886 1.00 0.00 C ATOM 553 SD MET A 37 13.554 -3.302 -15.168 1.00 0.00 S ATOM 554 CE MET A 37 13.932 -4.516 -16.450 1.00 0.00 C ATOM 0 H MET A 37 10.361 -4.979 -13.038 1.00 0.00 H new ATOM 0 HA MET A 37 12.607 -5.393 -11.376 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.695 -2.921 -12.874 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.282 -3.152 -12.167 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.666 -5.125 -13.619 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.059 -4.958 -14.297 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.348 -4.009 -17.320 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.657 -5.235 -16.068 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.019 -5.038 -16.737 1.00 0.00 H new ATOM 564 N ILE A 38 10.341 -3.253 -10.208 1.00 0.00 N ATOM 565 CA ILE A 38 9.938 -2.593 -8.968 1.00 0.00 C ATOM 566 C ILE A 38 9.379 -3.580 -7.934 1.00 0.00 C ATOM 567 O ILE A 38 9.442 -3.288 -6.746 1.00 0.00 O ATOM 568 CB ILE A 38 9.020 -1.377 -9.191 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.643 -1.775 -9.738 1.00 0.00 C ATOM 570 CG2 ILE A 38 9.711 -0.351 -10.103 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.650 -0.611 -9.751 1.00 0.00 C ATOM 0 H ILE A 38 9.694 -3.133 -10.987 1.00 0.00 H new ATOM 0 HA ILE A 38 10.854 -2.185 -8.540 1.00 0.00 H new ATOM 0 HB ILE A 38 8.841 -0.917 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.757 -2.160 -10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.237 -2.586 -9.133 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.052 0.504 -10.253 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.638 -0.017 -9.638 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.933 -0.811 -11.066 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.694 -0.953 -10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.510 -0.241 -8.735 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.038 0.191 -10.379 1.00 0.00 H new ATOM 583 N ALA A 39 8.830 -4.734 -8.340 1.00 0.00 N ATOM 584 CA ALA A 39 8.284 -5.737 -7.420 1.00 0.00 C ATOM 585 C ALA A 39 9.077 -5.910 -6.105 1.00 0.00 C ATOM 586 O ALA A 39 8.493 -5.708 -5.040 1.00 0.00 O ATOM 587 CB ALA A 39 8.038 -7.068 -8.135 1.00 0.00 C ATOM 0 H ALA A 39 8.753 -4.997 -9.322 1.00 0.00 H new ATOM 0 HA ALA A 39 7.321 -5.342 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.633 -7.792 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.327 -6.918 -8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.978 -7.443 -8.540 1.00 0.00 H new ATOM 593 N PRO A 40 10.382 -6.245 -6.117 1.00 0.00 N ATOM 594 CA PRO A 40 11.165 -6.366 -4.893 1.00 0.00 C ATOM 595 C PRO A 40 11.142 -5.072 -4.072 1.00 0.00 C ATOM 596 O PRO A 40 11.041 -5.124 -2.849 1.00 0.00 O ATOM 597 CB PRO A 40 12.585 -6.745 -5.327 1.00 0.00 C ATOM 598 CG PRO A 40 12.656 -6.284 -6.781 1.00 0.00 C ATOM 599 CD PRO A 40 11.227 -6.514 -7.268 1.00 0.00 C ATOM 0 HA PRO A 40 10.745 -7.128 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.337 -6.249 -4.713 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.758 -7.818 -5.238 1.00 0.00 H new ATOM 0 HG2 PRO A 40 12.949 -5.237 -6.861 1.00 0.00 H new ATOM 0 HG3 PRO A 40 13.379 -6.863 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.983 -5.852 -8.098 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.093 -7.535 -7.625 1.00 0.00 H new ATOM 607 N ILE A 41 11.182 -3.907 -4.728 1.00 0.00 N ATOM 608 CA ILE A 41 11.097 -2.622 -4.051 1.00 0.00 C ATOM 609 C ILE A 41 9.750 -2.563 -3.324 1.00 0.00 C ATOM 610 O ILE A 41 9.701 -2.279 -2.128 1.00 0.00 O ATOM 611 CB ILE A 41 11.276 -1.446 -5.038 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.527 -1.627 -5.921 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.386 -0.127 -4.270 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.759 -0.442 -6.867 1.00 0.00 C ATOM 0 H ILE A 41 11.274 -3.836 -5.741 1.00 0.00 H new ATOM 0 HA ILE A 41 11.907 -2.526 -3.328 1.00 0.00 H new ATOM 0 HB ILE A 41 10.400 -1.427 -5.686 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.402 -1.754 -5.283 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.424 -2.540 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.512 0.695 -4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.479 0.031 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.246 -0.166 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.653 -0.623 -7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 41 11.898 -0.329 -7.526 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.891 0.469 -6.283 1.00 0.00 H new ATOM 626 N LEU A 42 8.657 -2.868 -4.034 1.00 0.00 N ATOM 627 CA LEU A 42 7.320 -2.893 -3.454 1.00 0.00 C ATOM 628 C LEU A 42 7.281 -3.839 -2.247 1.00 0.00 C ATOM 629 O LEU A 42 6.715 -3.492 -1.215 1.00 0.00 O ATOM 630 CB LEU A 42 6.260 -3.286 -4.498 1.00 0.00 C ATOM 631 CG LEU A 42 6.155 -2.339 -5.706 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.145 -2.899 -6.709 1.00 0.00 C ATOM 633 CD2 LEU A 42 5.712 -0.931 -5.294 1.00 0.00 C ATOM 0 H LEU A 42 8.681 -3.104 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 42 7.081 -1.886 -3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.483 -4.289 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.288 -3.333 -4.007 1.00 0.00 H new ATOM 0 HG LEU A 42 7.146 -2.268 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.071 -2.228 -7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.474 -3.882 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.169 -2.987 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.651 -0.296 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.734 -0.983 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.436 -0.512 -4.595 1.00 0.00 H new ATOM 645 N ASP A 43 7.886 -5.025 -2.362 1.00 0.00 N ATOM 646 CA ASP A 43 7.930 -5.996 -1.271 1.00 0.00 C ATOM 647 C ASP A 43 8.658 -5.403 -0.058 1.00 0.00 C ATOM 648 O ASP A 43 8.150 -5.410 1.063 1.00 0.00 O ATOM 649 CB ASP A 43 8.602 -7.299 -1.732 1.00 0.00 C ATOM 650 CG ASP A 43 7.828 -8.032 -2.826 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.604 -8.203 -2.648 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.482 -8.429 -3.814 1.00 0.00 O ATOM 0 H ASP A 43 8.357 -5.336 -3.212 1.00 0.00 H new ATOM 0 HA ASP A 43 6.908 -6.232 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.604 -7.072 -2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.718 -7.962 -0.874 1.00 0.00 H new ATOM 657 N GLU A 44 9.861 -4.868 -0.278 1.00 0.00 N ATOM 658 CA GLU A 44 10.649 -4.244 0.778 1.00 0.00 C ATOM 659 C GLU A 44 9.823 -3.156 1.464 1.00 0.00 C ATOM 660 O GLU A 44 9.726 -3.127 2.690 1.00 0.00 O ATOM 661 CB GLU A 44 11.939 -3.670 0.187 1.00 0.00 C ATOM 662 CG GLU A 44 12.889 -4.788 -0.260 1.00 0.00 C ATOM 663 CD GLU A 44 13.936 -4.275 -1.245 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.392 -3.127 -1.046 1.00 0.00 O ATOM 665 OE2 GLU A 44 14.263 -5.037 -2.183 1.00 0.00 O ATOM 0 H GLU A 44 10.312 -4.857 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 44 10.918 -4.989 1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.700 -3.031 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.434 -3.043 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.386 -5.214 0.611 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.315 -5.590 -0.723 1.00 0.00 H new ATOM 672 N ILE A 45 9.203 -2.283 0.667 1.00 0.00 N ATOM 673 CA ILE A 45 8.329 -1.236 1.173 1.00 0.00 C ATOM 674 C ILE A 45 7.208 -1.855 2.008 1.00 0.00 C ATOM 675 O ILE A 45 6.947 -1.380 3.109 1.00 0.00 O ATOM 676 CB ILE A 45 7.793 -0.388 0.007 1.00 0.00 C ATOM 677 CG1 ILE A 45 8.882 0.508 -0.615 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.564 0.440 0.400 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.445 1.601 0.298 1.00 0.00 C ATOM 0 H ILE A 45 9.297 -2.287 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 45 8.890 -0.567 1.826 1.00 0.00 H new ATOM 0 HB ILE A 45 7.477 -1.100 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.706 -0.127 -0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.471 0.981 -1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.226 1.020 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.765 -0.226 0.725 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.826 1.116 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.203 2.170 -0.240 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.640 2.268 0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.894 1.143 1.180 1.00 0.00 H new ATOM 691 N ALA A 46 6.545 -2.903 1.506 1.00 0.00 N ATOM 692 CA ALA A 46 5.467 -3.573 2.223 1.00 0.00 C ATOM 693 C ALA A 46 5.924 -3.973 3.622 1.00 0.00 C ATOM 694 O ALA A 46 5.204 -3.749 4.592 1.00 0.00 O ATOM 695 CB ALA A 46 4.951 -4.783 1.437 1.00 0.00 C ATOM 0 H ALA A 46 6.745 -3.307 0.591 1.00 0.00 H new ATOM 0 HA ALA A 46 4.637 -2.874 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.148 -5.264 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.574 -4.454 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.764 -5.493 1.287 1.00 0.00 H new ATOM 701 N ASP A 47 7.126 -4.543 3.738 1.00 0.00 N ATOM 702 CA ASP A 47 7.643 -4.900 5.050 1.00 0.00 C ATOM 703 C ASP A 47 7.950 -3.644 5.873 1.00 0.00 C ATOM 704 O ASP A 47 7.435 -3.469 6.974 1.00 0.00 O ATOM 705 CB ASP A 47 8.878 -5.792 4.920 1.00 0.00 C ATOM 706 CG ASP A 47 9.441 -6.132 6.295 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.786 -6.935 6.995 1.00 0.00 O ATOM 708 OD2 ASP A 47 10.501 -5.563 6.631 1.00 0.00 O ATOM 0 H ASP A 47 7.743 -4.761 2.956 1.00 0.00 H new ATOM 0 HA ASP A 47 6.876 -5.466 5.579 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.617 -6.709 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.638 -5.286 4.325 1.00 0.00 H new ATOM 713 N GLU A 48 8.812 -2.776 5.352 1.00 0.00 N ATOM 714 CA GLU A 48 9.271 -1.573 6.032 1.00 0.00 C ATOM 715 C GLU A 48 8.131 -0.694 6.555 1.00 0.00 C ATOM 716 O GLU A 48 8.208 -0.180 7.667 1.00 0.00 O ATOM 717 CB GLU A 48 10.177 -0.804 5.071 1.00 0.00 C ATOM 718 CG GLU A 48 11.512 -1.537 4.873 1.00 0.00 C ATOM 719 CD GLU A 48 12.297 -1.009 3.677 1.00 0.00 C ATOM 720 OE1 GLU A 48 11.945 0.084 3.184 1.00 0.00 O ATOM 721 OE2 GLU A 48 13.240 -1.720 3.268 1.00 0.00 O ATOM 0 H GLU A 48 9.219 -2.894 4.424 1.00 0.00 H new ATOM 0 HA GLU A 48 9.823 -1.870 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.677 -0.685 4.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.361 0.197 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.116 -1.434 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.321 -2.602 4.737 1.00 0.00 H new ATOM 728 N TYR A 49 7.090 -0.509 5.747 1.00 0.00 N ATOM 729 CA TYR A 49 5.939 0.329 6.069 1.00 0.00 C ATOM 730 C TYR A 49 4.762 -0.503 6.597 1.00 0.00 C ATOM 731 O TYR A 49 3.636 0.000 6.627 1.00 0.00 O ATOM 732 CB TYR A 49 5.540 1.174 4.843 1.00 0.00 C ATOM 733 CG TYR A 49 6.523 2.264 4.437 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.800 1.932 3.954 1.00 0.00 C ATOM 735 CD2 TYR A 49 6.140 3.620 4.496 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.721 2.942 3.638 1.00 0.00 C ATOM 737 CE2 TYR A 49 7.036 4.630 4.099 1.00 0.00 C ATOM 738 CZ TYR A 49 8.336 4.291 3.687 1.00 0.00 C ATOM 739 OH TYR A 49 9.233 5.247 3.305 1.00 0.00 O ATOM 0 H TYR A 49 7.022 -0.948 4.829 1.00 0.00 H new ATOM 0 HA TYR A 49 6.223 1.008 6.873 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.400 0.504 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.575 1.639 5.045 1.00 0.00 H new ATOM 0 HD1 TYR A 49 8.074 0.895 3.825 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.154 3.885 4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.730 2.681 3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.725 5.664 4.111 1.00 0.00 H new ATOM 0 HH TYR A 49 8.808 5.858 2.668 1.00 0.00 H new ATOM 749 N GLN A 50 4.982 -1.755 7.027 1.00 0.00 N ATOM 750 CA GLN A 50 3.906 -2.580 7.552 1.00 0.00 C ATOM 751 C GLN A 50 3.151 -1.829 8.653 1.00 0.00 C ATOM 752 O GLN A 50 3.766 -1.186 9.504 1.00 0.00 O ATOM 753 CB GLN A 50 4.451 -3.930 8.037 1.00 0.00 C ATOM 754 CG GLN A 50 5.303 -3.831 9.312 1.00 0.00 C ATOM 755 CD GLN A 50 6.013 -5.147 9.601 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.527 -5.975 10.365 1.00 0.00 O ATOM 757 NE2 GLN A 50 7.164 -5.360 8.975 1.00 0.00 N ATOM 0 H GLN A 50 5.896 -2.209 7.018 1.00 0.00 H new ATOM 0 HA GLN A 50 3.193 -2.791 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.615 -4.604 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.051 -4.376 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.039 -3.034 9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.669 -3.563 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.541 -4.651 8.346 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.671 -6.233 9.123 1.00 0.00 H new ATOM 766 N GLY A 51 1.818 -1.856 8.617 1.00 0.00 N ATOM 767 CA GLY A 51 0.998 -1.148 9.589 1.00 0.00 C ATOM 768 C GLY A 51 0.748 0.311 9.200 1.00 0.00 C ATOM 769 O GLY A 51 -0.268 0.871 9.604 1.00 0.00 O ATOM 0 H GLY A 51 1.283 -2.368 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.042 -1.661 9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.486 -1.182 10.563 1.00 0.00 H new ATOM 773 N LYS A 52 1.634 0.928 8.407 1.00 0.00 N ATOM 774 CA LYS A 52 1.474 2.308 7.963 1.00 0.00 C ATOM 775 C LYS A 52 0.897 2.330 6.550 1.00 0.00 C ATOM 776 O LYS A 52 0.050 3.164 6.240 1.00 0.00 O ATOM 777 CB LYS A 52 2.825 3.037 7.957 1.00 0.00 C ATOM 778 CG LYS A 52 3.537 2.997 9.313 1.00 0.00 C ATOM 779 CD LYS A 52 4.646 4.057 9.394 1.00 0.00 C ATOM 780 CE LYS A 52 5.677 3.923 8.267 1.00 0.00 C ATOM 781 NZ LYS A 52 6.805 4.851 8.452 1.00 0.00 N ATOM 0 H LYS A 52 2.481 0.479 8.058 1.00 0.00 H new ATOM 0 HA LYS A 52 0.798 2.813 8.654 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.470 2.588 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.669 4.076 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.813 3.163 10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.965 2.007 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.198 5.050 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.152 3.974 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.049 2.899 8.233 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.197 4.119 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.483 4.733 7.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.452 5.829 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.278 4.647 9.355 1.00 0.00 H new ATOM 795 N LEU A 53 1.378 1.429 5.689 1.00 0.00 N ATOM 796 CA LEU A 53 0.990 1.335 4.295 1.00 0.00 C ATOM 797 C LEU A 53 0.644 -0.110 3.953 1.00 0.00 C ATOM 798 O LEU A 53 1.332 -1.031 4.387 1.00 0.00 O ATOM 799 CB LEU A 53 2.183 1.785 3.448 1.00 0.00 C ATOM 800 CG LEU A 53 1.859 1.979 1.962 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.125 3.304 1.743 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.177 1.987 1.189 1.00 0.00 C ATOM 0 H LEU A 53 2.068 0.728 5.959 1.00 0.00 H new ATOM 0 HA LEU A 53 0.119 1.961 4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.567 2.722 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.980 1.047 3.542 1.00 0.00 H new ATOM 0 HG LEU A 53 1.214 1.172 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.903 3.426 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.195 3.303 2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.754 4.128 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.975 2.124 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.804 2.804 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.694 1.039 1.341 1.00 0.00 H new ATOM 814 N THR A 54 -0.406 -0.300 3.154 1.00 0.00 N ATOM 815 CA THR A 54 -0.844 -1.596 2.668 1.00 0.00 C ATOM 816 C THR A 54 -0.528 -1.636 1.170 1.00 0.00 C ATOM 817 O THR A 54 -1.187 -0.971 0.371 1.00 0.00 O ATOM 818 CB THR A 54 -2.333 -1.732 2.998 1.00 0.00 C ATOM 819 OG1 THR A 54 -2.487 -1.741 4.402 1.00 0.00 O ATOM 820 CG2 THR A 54 -2.961 -3.005 2.429 1.00 0.00 C ATOM 0 H THR A 54 -0.988 0.469 2.821 1.00 0.00 H new ATOM 0 HA THR A 54 -0.339 -2.442 3.134 1.00 0.00 H new ATOM 0 HB THR A 54 -2.844 -0.886 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.437 -1.826 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.017 -3.041 2.698 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.863 -3.005 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.452 -3.877 2.840 1.00 0.00 H new ATOM 828 N VAL A 55 0.500 -2.386 0.774 1.00 0.00 N ATOM 829 CA VAL A 55 0.893 -2.473 -0.622 1.00 0.00 C ATOM 830 C VAL A 55 -0.040 -3.452 -1.335 1.00 0.00 C ATOM 831 O VAL A 55 -0.344 -4.531 -0.820 1.00 0.00 O ATOM 832 CB VAL A 55 2.368 -2.887 -0.730 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.832 -2.920 -2.191 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.270 -1.900 0.017 1.00 0.00 C ATOM 0 H VAL A 55 1.074 -2.942 1.407 1.00 0.00 H new ATOM 0 HA VAL A 55 0.802 -1.501 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 55 2.445 -3.881 -0.290 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.880 -3.216 -2.233 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.229 -3.637 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.717 -1.930 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.309 -2.216 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.154 -0.905 -0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.990 -1.876 1.070 1.00 0.00 H new ATOM 844 N ALA A 56 -0.501 -3.079 -2.525 1.00 0.00 N ATOM 845 CA ALA A 56 -1.385 -3.889 -3.334 1.00 0.00 C ATOM 846 C ALA A 56 -0.932 -3.823 -4.787 1.00 0.00 C ATOM 847 O ALA A 56 -0.263 -2.880 -5.202 1.00 0.00 O ATOM 848 CB ALA A 56 -2.822 -3.392 -3.168 1.00 0.00 C ATOM 0 H ALA A 56 -0.262 -2.186 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.350 -4.930 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.490 -4.001 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.115 -3.468 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.887 -2.352 -3.488 1.00 0.00 H new ATOM 854 N LYS A 57 -1.300 -4.835 -5.563 1.00 0.00 N ATOM 855 CA LYS A 57 -1.023 -4.964 -6.975 1.00 0.00 C ATOM 856 C LYS A 57 -2.335 -5.304 -7.667 1.00 0.00 C ATOM 857 O LYS A 57 -3.179 -5.993 -7.091 1.00 0.00 O ATOM 858 CB LYS A 57 -0.023 -6.097 -7.210 1.00 0.00 C ATOM 859 CG LYS A 57 1.435 -5.639 -7.183 1.00 0.00 C ATOM 860 CD LYS A 57 2.315 -6.880 -7.375 1.00 0.00 C ATOM 861 CE LYS A 57 3.800 -6.566 -7.556 1.00 0.00 C ATOM 862 NZ LYS A 57 4.060 -5.721 -8.736 1.00 0.00 N ATOM 0 H LYS A 57 -1.828 -5.627 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.600 -4.038 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.169 -6.863 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.232 -6.561 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.622 -4.911 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.665 -5.149 -6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.195 -7.535 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.962 -7.432 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.173 -6.063 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.356 -7.499 -7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.086 -5.635 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.625 -6.154 -9.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.652 -4.777 -8.583 1.00 0.00 H new ATOM 876 N LEU A 58 -2.487 -4.845 -8.910 1.00 0.00 N ATOM 877 CA LEU A 58 -3.647 -5.149 -9.725 1.00 0.00 C ATOM 878 C LEU A 58 -3.169 -5.433 -11.142 1.00 0.00 C ATOM 879 O LEU A 58 -2.479 -4.607 -11.743 1.00 0.00 O ATOM 880 CB LEU A 58 -4.664 -4.007 -9.640 1.00 0.00 C ATOM 881 CG LEU A 58 -5.969 -4.343 -10.383 1.00 0.00 C ATOM 882 CD1 LEU A 58 -7.141 -3.695 -9.649 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.947 -3.812 -11.821 1.00 0.00 C ATOM 0 H LEU A 58 -1.802 -4.250 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.166 -6.036 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.886 -3.796 -8.594 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.229 -3.101 -10.062 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.073 -5.428 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.070 -3.928 -10.169 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.189 -4.079 -8.630 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.001 -2.614 -9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.884 -4.067 -12.317 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.826 -2.729 -11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.115 -4.263 -12.363 1.00 0.00 H new ATOM 895 N ASN A 59 -3.513 -6.611 -11.668 1.00 0.00 N ATOM 896 CA ASN A 59 -3.125 -7.007 -13.010 1.00 0.00 C ATOM 897 C ASN A 59 -4.161 -6.487 -14.004 1.00 0.00 C ATOM 898 O ASN A 59 -5.278 -7.007 -14.066 1.00 0.00 O ATOM 899 CB ASN A 59 -2.985 -8.525 -13.114 1.00 0.00 C ATOM 900 CG ASN A 59 -2.557 -8.933 -14.522 1.00 0.00 C ATOM 901 OD1 ASN A 59 -2.347 -8.101 -15.400 1.00 0.00 O ATOM 902 ND2 ASN A 59 -2.462 -10.227 -14.769 1.00 0.00 N ATOM 0 H ASN A 59 -4.066 -7.310 -11.172 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.152 -6.574 -13.244 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.251 -8.878 -12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.934 -9.000 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.210 -10.551 -15.703 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.640 -10.902 -14.026 1.00 0.00 H new ATOM 909 N ILE A 60 -3.787 -5.479 -14.792 1.00 0.00 N ATOM 910 CA ILE A 60 -4.665 -4.881 -15.786 1.00 0.00 C ATOM 911 C ILE A 60 -5.002 -5.859 -16.913 1.00 0.00 C ATOM 912 O ILE A 60 -6.058 -5.727 -17.521 1.00 0.00 O ATOM 913 CB ILE A 60 -4.092 -3.554 -16.314 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.818 -3.743 -17.152 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.823 -2.603 -15.142 1.00 0.00 C ATOM 916 CD1 ILE A 60 -3.103 -3.761 -18.655 1.00 0.00 C ATOM 0 H ILE A 60 -2.860 -5.055 -14.755 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.608 -4.646 -15.291 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.840 -3.122 -16.979 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.117 -2.939 -16.928 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.334 -4.677 -16.866 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.417 -1.665 -15.520 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.755 -2.408 -14.611 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.106 -3.060 -14.460 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.169 -3.897 -19.201 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.782 -4.582 -18.887 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.561 -2.817 -18.950 1.00 0.00 H new ATOM 928 N ASP A 61 -4.147 -6.852 -17.191 1.00 0.00 N ATOM 929 CA ASP A 61 -4.452 -7.833 -18.233 1.00 0.00 C ATOM 930 C ASP A 61 -5.716 -8.591 -17.830 1.00 0.00 C ATOM 931 O ASP A 61 -6.628 -8.773 -18.631 1.00 0.00 O ATOM 932 CB ASP A 61 -3.294 -8.815 -18.454 1.00 0.00 C ATOM 933 CG ASP A 61 -2.017 -8.161 -18.975 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.133 -7.250 -19.825 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.934 -8.599 -18.530 1.00 0.00 O ATOM 0 H ASP A 61 -3.255 -6.994 -16.717 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.606 -7.306 -19.175 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.074 -9.319 -17.513 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.611 -9.582 -19.160 1.00 0.00 H new ATOM 940 N GLN A 62 -5.766 -9.014 -16.564 1.00 0.00 N ATOM 941 CA GLN A 62 -6.915 -9.707 -16.007 1.00 0.00 C ATOM 942 C GLN A 62 -8.060 -8.726 -15.745 1.00 0.00 C ATOM 943 O GLN A 62 -9.224 -9.113 -15.819 1.00 0.00 O ATOM 944 CB GLN A 62 -6.514 -10.413 -14.706 1.00 0.00 C ATOM 945 CG GLN A 62 -5.590 -11.609 -14.959 1.00 0.00 C ATOM 946 CD GLN A 62 -5.091 -12.194 -13.641 1.00 0.00 C ATOM 947 OE1 GLN A 62 -3.943 -11.991 -13.256 1.00 0.00 O ATOM 948 NE2 GLN A 62 -5.951 -12.910 -12.925 1.00 0.00 N ATOM 0 H GLN A 62 -5.004 -8.881 -15.899 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.259 -10.450 -16.726 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.014 -9.702 -14.048 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.411 -10.752 -14.187 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.123 -12.374 -15.523 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.742 -11.297 -15.568 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.899 -13.063 -13.270 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.663 -13.307 -12.031 1.00 0.00 H new ATOM 957 N ASN A 63 -7.738 -7.478 -15.394 1.00 0.00 N ATOM 958 CA ASN A 63 -8.718 -6.462 -15.012 1.00 0.00 C ATOM 959 C ASN A 63 -8.577 -5.163 -15.817 1.00 0.00 C ATOM 960 O ASN A 63 -8.181 -4.147 -15.248 1.00 0.00 O ATOM 961 CB ASN A 63 -8.529 -6.163 -13.518 1.00 0.00 C ATOM 962 CG ASN A 63 -8.564 -7.410 -12.650 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.619 -7.810 -12.167 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.404 -8.023 -12.429 1.00 0.00 N ATOM 0 H ASN A 63 -6.775 -7.142 -15.367 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.714 -6.852 -15.223 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.576 -5.654 -13.373 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.310 -5.477 -13.189 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.371 -8.855 -11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.548 -7.660 -12.848 1.00 0.00 H new ATOM 971 N PRO A 64 -8.910 -5.149 -17.119 1.00 0.00 N ATOM 972 CA PRO A 64 -8.796 -3.953 -17.941 1.00 0.00 C ATOM 973 C PRO A 64 -9.518 -2.745 -17.337 1.00 0.00 C ATOM 974 O PRO A 64 -8.909 -1.699 -17.134 1.00 0.00 O ATOM 975 CB PRO A 64 -9.358 -4.332 -19.316 1.00 0.00 C ATOM 976 CG PRO A 64 -9.157 -5.844 -19.368 1.00 0.00 C ATOM 977 CD PRO A 64 -9.376 -6.271 -17.918 1.00 0.00 C ATOM 0 HA PRO A 64 -7.756 -3.635 -18.012 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.410 -4.062 -19.410 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.826 -3.827 -20.122 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.868 -6.323 -20.041 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.159 -6.106 -19.719 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.427 -6.484 -17.724 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.819 -7.179 -17.686 1.00 0.00 H new ATOM 985 N GLY A 65 -10.821 -2.896 -17.066 1.00 0.00 N ATOM 986 CA GLY A 65 -11.719 -1.862 -16.555 1.00 0.00 C ATOM 987 C GLY A 65 -11.134 -0.954 -15.472 1.00 0.00 C ATOM 988 O GLY A 65 -11.377 0.255 -15.476 1.00 0.00 O ATOM 0 H GLY A 65 -11.297 -3.787 -17.205 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.041 -1.240 -17.390 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.611 -2.345 -16.156 1.00 0.00 H new ATOM 992 N THR A 66 -10.375 -1.517 -14.530 1.00 0.00 N ATOM 993 CA THR A 66 -9.814 -0.743 -13.437 1.00 0.00 C ATOM 994 C THR A 66 -8.791 0.300 -13.905 1.00 0.00 C ATOM 995 O THR A 66 -8.558 1.273 -13.193 1.00 0.00 O ATOM 996 CB THR A 66 -9.265 -1.689 -12.361 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.963 -2.918 -12.407 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.452 -1.077 -10.969 1.00 0.00 C ATOM 0 H THR A 66 -10.138 -2.509 -14.508 1.00 0.00 H new ATOM 0 HA THR A 66 -10.615 -0.154 -12.990 1.00 0.00 H new ATOM 0 HB THR A 66 -8.204 -1.849 -12.552 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.927 -2.746 -12.430 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.058 -1.759 -10.216 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.918 -0.128 -10.914 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.513 -0.908 -10.786 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.184 0.133 -15.086 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.228 1.108 -15.595 1.00 0.00 C ATOM 1008 C ALA A 67 -7.936 2.379 -16.104 1.00 0.00 C ATOM 1009 O ALA A 67 -7.703 3.446 -15.528 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.229 0.466 -16.565 1.00 0.00 C ATOM 0 H ALA A 67 -8.341 -0.666 -15.700 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.606 1.461 -14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.532 1.223 -16.924 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.677 -0.321 -16.051 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.767 0.038 -17.411 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.810 2.319 -17.132 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.577 3.472 -17.596 1.00 0.00 C ATOM 1018 C PRO A 68 -10.255 4.218 -16.446 1.00 0.00 C ATOM 1019 O PRO A 68 -10.264 5.446 -16.449 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.616 2.929 -18.580 1.00 0.00 C ATOM 1021 CG PRO A 68 -9.928 1.693 -19.145 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.169 1.160 -17.931 1.00 0.00 C ATOM 0 HA PRO A 68 -8.916 4.199 -18.068 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.553 2.679 -18.082 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.852 3.653 -19.360 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.646 0.967 -19.527 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.257 1.941 -19.967 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.788 0.470 -17.358 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.280 0.610 -18.239 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.796 3.484 -15.459 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.424 4.066 -14.274 1.00 0.00 C ATOM 1032 C LYS A 69 -10.593 5.194 -13.651 1.00 0.00 C ATOM 1033 O LYS A 69 -11.170 6.145 -13.130 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.696 2.974 -13.226 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.084 2.345 -13.405 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.325 1.120 -12.503 1.00 0.00 C ATOM 1037 CE LYS A 69 -12.827 1.280 -11.060 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.433 2.439 -10.380 1.00 0.00 N ATOM 0 H LYS A 69 -10.807 2.464 -15.467 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.365 4.507 -14.602 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.933 2.199 -13.302 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.617 3.402 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.845 3.097 -13.194 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.208 2.049 -14.447 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.393 0.905 -12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.834 0.255 -12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.053 0.374 -10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.743 1.391 -11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.717 2.908 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.790 3.110 -11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -14.220 2.118 -9.781 1.00 0.00 H new ATOM 1052 N TYR A 70 -9.259 5.100 -13.704 1.00 0.00 N ATOM 1053 CA TYR A 70 -8.371 6.128 -13.173 1.00 0.00 C ATOM 1054 C TYR A 70 -7.404 6.619 -14.258 1.00 0.00 C ATOM 1055 O TYR A 70 -6.291 7.041 -13.955 1.00 0.00 O ATOM 1056 CB TYR A 70 -7.649 5.593 -11.930 1.00 0.00 C ATOM 1057 CG TYR A 70 -8.572 5.056 -10.853 1.00 0.00 C ATOM 1058 CD1 TYR A 70 -9.318 5.946 -10.057 1.00 0.00 C ATOM 1059 CD2 TYR A 70 -8.753 3.667 -10.700 1.00 0.00 C ATOM 1060 CE1 TYR A 70 -10.268 5.453 -9.147 1.00 0.00 C ATOM 1061 CE2 TYR A 70 -9.717 3.176 -9.802 1.00 0.00 C ATOM 1062 CZ TYR A 70 -10.502 4.071 -9.056 1.00 0.00 C ATOM 1063 OH TYR A 70 -11.501 3.593 -8.259 1.00 0.00 O ATOM 0 H TYR A 70 -8.769 4.306 -14.118 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.953 6.996 -12.864 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.966 4.800 -12.235 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -7.041 6.392 -11.506 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.160 7.011 -10.146 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -8.150 2.978 -11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.818 6.137 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.854 2.111 -9.686 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.295 2.673 -7.992 1.00 0.00 H new ATOM 1073 N GLY A 71 -7.833 6.577 -15.526 1.00 0.00 N ATOM 1074 CA GLY A 71 -7.062 7.017 -16.681 1.00 0.00 C ATOM 1075 C GLY A 71 -5.650 6.430 -16.724 1.00 0.00 C ATOM 1076 O GLY A 71 -4.701 7.106 -17.118 1.00 0.00 O ATOM 0 H GLY A 71 -8.756 6.224 -15.777 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.592 6.737 -17.591 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.996 8.105 -16.672 1.00 0.00 H new ATOM 1080 N ILE A 72 -5.493 5.164 -16.329 1.00 0.00 N ATOM 1081 CA ILE A 72 -4.186 4.523 -16.310 1.00 0.00 C ATOM 1082 C ILE A 72 -3.854 4.069 -17.728 1.00 0.00 C ATOM 1083 O ILE A 72 -4.152 2.940 -18.116 1.00 0.00 O ATOM 1084 CB ILE A 72 -4.165 3.398 -15.261 1.00 0.00 C ATOM 1085 CG1 ILE A 72 -4.513 4.018 -13.897 1.00 0.00 C ATOM 1086 CG2 ILE A 72 -2.798 2.702 -15.220 1.00 0.00 C ATOM 1087 CD1 ILE A 72 -4.502 3.014 -12.749 1.00 0.00 C ATOM 0 H ILE A 72 -6.259 4.566 -16.019 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.402 5.215 -16.003 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.896 2.633 -15.521 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.803 4.815 -13.678 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -5.500 4.477 -13.957 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.814 1.912 -14.469 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.580 2.270 -16.197 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.027 3.429 -14.965 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.756 3.522 -11.819 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.232 2.229 -12.945 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.509 2.572 -12.661 1.00 0.00 H new ATOM 1099 N ARG A 73 -3.290 4.980 -18.525 1.00 0.00 N ATOM 1100 CA ARG A 73 -2.943 4.726 -19.923 1.00 0.00 C ATOM 1101 C ARG A 73 -1.554 4.090 -20.070 1.00 0.00 C ATOM 1102 O ARG A 73 -1.162 3.733 -21.179 1.00 0.00 O ATOM 1103 CB ARG A 73 -3.035 6.027 -20.738 1.00 0.00 C ATOM 1104 CG ARG A 73 -4.357 6.809 -20.627 1.00 0.00 C ATOM 1105 CD ARG A 73 -5.595 6.026 -21.084 1.00 0.00 C ATOM 1106 NE ARG A 73 -5.945 4.976 -20.123 1.00 0.00 N ATOM 1107 CZ ARG A 73 -6.622 3.858 -20.411 1.00 0.00 C ATOM 1108 NH1 ARG A 73 -7.410 3.808 -21.491 1.00 0.00 N ATOM 1109 NH2 ARG A 73 -6.477 2.790 -19.620 1.00 0.00 N ATOM 0 H ARG A 73 -3.060 5.924 -18.214 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.664 4.008 -20.314 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.222 6.683 -20.428 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.867 5.786 -21.788 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.498 7.116 -19.591 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.278 7.719 -21.221 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.436 6.709 -21.203 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.406 5.580 -22.061 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.648 5.108 -19.156 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.496 4.623 -22.098 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.925 2.954 -21.708 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.858 2.835 -18.811 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.986 1.930 -19.826 1.00 0.00 H new ATOM 1123 N GLY A 74 -0.807 3.941 -18.972 1.00 0.00 N ATOM 1124 CA GLY A 74 0.515 3.336 -18.951 1.00 0.00 C ATOM 1125 C GLY A 74 0.737 2.677 -17.594 1.00 0.00 C ATOM 1126 O GLY A 74 -0.030 2.929 -16.663 1.00 0.00 O ATOM 0 H GLY A 74 -1.120 4.249 -18.051 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.604 2.597 -19.747 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.278 4.093 -19.132 1.00 0.00 H new ATOM 1130 N ILE A 75 1.775 1.843 -17.481 1.00 0.00 N ATOM 1131 CA ILE A 75 2.157 1.110 -16.278 1.00 0.00 C ATOM 1132 C ILE A 75 3.692 0.996 -16.280 1.00 0.00 C ATOM 1133 O ILE A 75 4.274 1.092 -17.362 1.00 0.00 O ATOM 1134 CB ILE A 75 1.478 -0.277 -16.263 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.736 -1.048 -17.571 1.00 0.00 C ATOM 1136 CG2 ILE A 75 -0.024 -0.147 -15.974 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.097 -2.435 -17.556 1.00 0.00 C ATOM 0 H ILE A 75 2.399 1.654 -18.265 1.00 0.00 H new ATOM 0 HA ILE A 75 1.830 1.629 -15.377 1.00 0.00 H new ATOM 0 HB ILE A 75 1.925 -0.857 -15.456 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.342 -0.477 -18.412 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.810 -1.146 -17.728 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.480 -1.137 -15.969 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.168 0.324 -15.002 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.492 0.464 -16.746 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.305 -2.942 -18.498 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.510 -3.017 -16.732 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.019 -2.338 -17.427 1.00 0.00 H new ATOM 1149 N PRO A 76 4.375 0.801 -15.136 1.00 0.00 N ATOM 1150 CA PRO A 76 3.835 0.684 -13.785 1.00 0.00 C ATOM 1151 C PRO A 76 3.235 2.014 -13.347 1.00 0.00 C ATOM 1152 O PRO A 76 3.793 3.065 -13.653 1.00 0.00 O ATOM 1153 CB PRO A 76 5.025 0.329 -12.884 1.00 0.00 C ATOM 1154 CG PRO A 76 6.229 0.880 -13.644 1.00 0.00 C ATOM 1155 CD PRO A 76 5.824 0.712 -15.108 1.00 0.00 C ATOM 0 HA PRO A 76 3.050 -0.070 -13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.931 0.784 -11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.105 -0.747 -12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.418 1.924 -13.396 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.139 0.327 -13.412 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.274 1.487 -15.729 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.163 -0.247 -15.499 1.00 0.00 H new ATOM 1163 N THR A 77 2.106 1.959 -12.641 1.00 0.00 N ATOM 1164 CA THR A 77 1.426 3.142 -12.149 1.00 0.00 C ATOM 1165 C THR A 77 0.930 2.844 -10.739 1.00 0.00 C ATOM 1166 O THR A 77 0.188 1.882 -10.535 1.00 0.00 O ATOM 1167 CB THR A 77 0.312 3.545 -13.123 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.908 3.977 -14.328 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.533 4.692 -12.573 1.00 0.00 C ATOM 0 H THR A 77 1.640 1.085 -12.397 1.00 0.00 H new ATOM 0 HA THR A 77 2.095 4.001 -12.093 1.00 0.00 H new ATOM 0 HB THR A 77 -0.335 2.681 -13.277 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.481 3.524 -15.085 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.311 4.948 -13.292 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.994 4.387 -11.633 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.102 5.561 -12.400 1.00 0.00 H new ATOM 1177 N LEU A 78 1.373 3.658 -9.780 1.00 0.00 N ATOM 1178 CA LEU A 78 1.067 3.537 -8.369 1.00 0.00 C ATOM 1179 C LEU A 78 -0.027 4.541 -8.011 1.00 0.00 C ATOM 1180 O LEU A 78 0.133 5.726 -8.299 1.00 0.00 O ATOM 1181 CB LEU A 78 2.330 3.846 -7.546 1.00 0.00 C ATOM 1182 CG LEU A 78 3.604 3.110 -7.997 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.771 3.508 -7.087 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.427 1.591 -7.953 1.00 0.00 C ATOM 0 H LEU A 78 1.981 4.452 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 78 0.728 2.525 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.517 4.919 -7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.135 3.595 -6.503 1.00 0.00 H new ATOM 0 HG LEU A 78 3.809 3.397 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.674 2.987 -7.405 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.931 4.584 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.539 3.236 -6.057 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.348 1.108 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.195 1.281 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.611 1.300 -8.615 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.114 4.089 -7.376 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.193 4.941 -6.881 1.00 0.00 C ATOM 1198 C LEU A 79 -2.240 4.758 -5.366 1.00 0.00 C ATOM 1199 O LEU A 79 -2.465 3.641 -4.896 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.553 4.550 -7.476 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.894 5.201 -8.822 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.953 4.770 -9.945 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.340 4.872 -9.199 1.00 0.00 C ATOM 0 H LEU A 79 -1.268 3.098 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.001 5.975 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.579 3.467 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.332 4.809 -6.759 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.770 6.277 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.244 5.263 -10.873 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.931 5.050 -9.690 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.012 3.689 -10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.581 5.335 -10.156 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.458 3.791 -9.279 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.012 5.255 -8.431 1.00 0.00 H new ATOM 1215 N LEU A 80 -2.034 5.837 -4.608 1.00 0.00 N ATOM 1216 CA LEU A 80 -2.057 5.819 -3.154 1.00 0.00 C ATOM 1217 C LEU A 80 -3.427 6.299 -2.678 1.00 0.00 C ATOM 1218 O LEU A 80 -3.715 7.496 -2.689 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.884 6.654 -2.629 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.844 6.805 -1.101 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.925 5.456 -0.380 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.460 7.513 -0.718 1.00 0.00 C ATOM 0 H LEU A 80 -1.844 6.760 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.924 4.813 -2.755 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.048 6.197 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.930 7.646 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.713 7.387 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.893 5.617 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.857 4.957 -0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.082 4.832 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.506 7.629 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.309 6.919 -1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.493 8.495 -1.190 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.267 5.351 -2.262 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.616 5.571 -1.767 1.00 0.00 C ATOM 1236 C PHE A 81 -5.605 5.663 -0.242 1.00 0.00 C ATOM 1237 O PHE A 81 -5.241 4.694 0.420 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.516 4.398 -2.178 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.826 4.298 -3.659 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.971 3.585 -4.518 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -8.038 4.812 -4.157 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.333 3.379 -5.860 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.397 4.613 -5.500 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.525 3.930 -6.362 1.00 0.00 C ATOM 0 H PHE A 81 -4.008 4.364 -2.263 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.995 6.501 -2.191 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.040 3.470 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.456 4.476 -1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.035 3.195 -4.146 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.696 5.363 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.694 2.796 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.342 4.985 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.769 3.828 -7.409 1.00 0.00 H new ATOM 1254 N LYS A 82 -6.057 6.789 0.314 1.00 0.00 N ATOM 1255 CA LYS A 82 -6.243 6.985 1.745 1.00 0.00 C ATOM 1256 C LYS A 82 -7.748 6.949 1.988 1.00 0.00 C ATOM 1257 O LYS A 82 -8.467 7.793 1.458 1.00 0.00 O ATOM 1258 CB LYS A 82 -5.652 8.323 2.198 1.00 0.00 C ATOM 1259 CG LYS A 82 -4.122 8.271 2.252 1.00 0.00 C ATOM 1260 CD LYS A 82 -3.589 9.573 2.864 1.00 0.00 C ATOM 1261 CE LYS A 82 -2.086 9.497 3.146 1.00 0.00 C ATOM 1262 NZ LYS A 82 -1.305 9.285 1.916 1.00 0.00 N ATOM 0 H LYS A 82 -6.309 7.609 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.731 6.210 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.966 9.111 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -6.043 8.580 3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.797 7.417 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.716 8.135 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.790 10.402 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.122 9.784 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.760 10.419 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.889 8.685 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.291 9.273 2.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.573 8.376 1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.499 10.055 1.245 1.00 0.00 H new ATOM 1276 N ASN A 83 -8.240 5.962 2.744 1.00 0.00 N ATOM 1277 CA ASN A 83 -9.672 5.795 3.007 1.00 0.00 C ATOM 1278 C ASN A 83 -10.455 5.842 1.688 1.00 0.00 C ATOM 1279 O ASN A 83 -11.443 6.562 1.552 1.00 0.00 O ATOM 1280 CB ASN A 83 -10.161 6.817 4.047 1.00 0.00 C ATOM 1281 CG ASN A 83 -11.484 6.404 4.699 1.00 0.00 C ATOM 1282 OD1 ASN A 83 -11.516 6.040 5.868 1.00 0.00 O ATOM 1283 ND2 ASN A 83 -12.592 6.446 3.968 1.00 0.00 N ATOM 0 H ASN A 83 -7.655 5.256 3.191 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.853 4.814 3.447 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -9.401 6.937 4.819 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -10.284 7.788 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -13.485 6.173 4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -12.550 6.751 2.996 1.00 0.00 H new ATOM 1290 N GLY A 84 -9.982 5.094 0.691 1.00 0.00 N ATOM 1291 CA GLY A 84 -10.609 5.027 -0.620 1.00 0.00 C ATOM 1292 C GLY A 84 -10.449 6.277 -1.491 1.00 0.00 C ATOM 1293 O GLY A 84 -10.815 6.232 -2.663 1.00 0.00 O ATOM 0 H GLY A 84 -9.147 4.515 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.195 4.175 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.673 4.833 -0.485 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.895 7.378 -0.971 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.700 8.602 -1.734 1.00 0.00 C ATOM 1299 C GLU A 85 -8.272 8.628 -2.278 1.00 0.00 C ATOM 1300 O GLU A 85 -7.324 8.484 -1.509 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.957 9.822 -0.837 1.00 0.00 C ATOM 1302 CG GLU A 85 -11.337 9.784 -0.163 1.00 0.00 C ATOM 1303 CD GLU A 85 -12.474 9.620 -1.168 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -12.566 10.488 -2.063 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -13.226 8.632 -1.028 1.00 0.00 O ATOM 0 H GLU A 85 -9.571 7.439 -0.006 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.401 8.635 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.184 9.873 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.874 10.730 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.366 8.961 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.487 10.703 0.403 1.00 0.00 H new ATOM 1312 N VAL A 86 -8.106 8.822 -3.589 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.786 8.912 -4.203 1.00 0.00 C ATOM 1314 C VAL A 86 -6.068 10.132 -3.617 1.00 0.00 C ATOM 1315 O VAL A 86 -6.416 11.266 -3.937 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.906 9.005 -5.735 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.521 9.149 -6.381 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.568 7.746 -6.311 1.00 0.00 C ATOM 0 H VAL A 86 -8.879 8.920 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.206 8.015 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.517 9.880 -5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.629 9.213 -7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.039 10.054 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.910 8.283 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.641 7.837 -7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.967 6.872 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.566 7.634 -5.888 1.00 0.00 H new ATOM 1328 N ALA A 87 -5.073 9.902 -2.759 1.00 0.00 N ATOM 1329 CA ALA A 87 -4.300 10.959 -2.130 1.00 0.00 C ATOM 1330 C ALA A 87 -3.251 11.475 -3.111 1.00 0.00 C ATOM 1331 O ALA A 87 -3.064 12.681 -3.246 1.00 0.00 O ATOM 1332 CB ALA A 87 -3.648 10.428 -0.853 1.00 0.00 C ATOM 0 H ALA A 87 -4.783 8.964 -2.482 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.954 11.788 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.069 11.223 -0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.421 10.087 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.989 9.596 -1.100 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.573 10.554 -3.802 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.556 10.874 -4.787 1.00 0.00 C ATOM 1340 C ALA A 88 -1.345 9.656 -5.676 1.00 0.00 C ATOM 1341 O ALA A 88 -1.819 8.563 -5.356 1.00 0.00 O ATOM 1342 CB ALA A 88 -0.252 11.272 -4.094 1.00 0.00 C ATOM 0 H ALA A 88 -2.723 9.552 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.879 11.719 -5.396 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.501 11.509 -4.845 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.426 12.146 -3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.099 10.445 -3.477 1.00 0.00 H new ATOM 1348 N THR A 89 -0.634 9.844 -6.786 1.00 0.00 N ATOM 1349 CA THR A 89 -0.334 8.794 -7.741 1.00 0.00 C ATOM 1350 C THR A 89 1.086 9.012 -8.266 1.00 0.00 C ATOM 1351 O THR A 89 1.654 10.087 -8.072 1.00 0.00 O ATOM 1352 CB THR A 89 -1.356 8.829 -8.891 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.181 9.999 -9.664 1.00 0.00 O ATOM 1354 CG2 THR A 89 -2.804 8.828 -8.396 1.00 0.00 C ATOM 0 H THR A 89 -0.245 10.750 -7.046 1.00 0.00 H new ATOM 0 HA THR A 89 -0.397 7.815 -7.265 1.00 0.00 H new ATOM 0 HB THR A 89 -1.179 7.928 -9.478 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.835 10.010 -10.394 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.481 8.853 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.989 7.925 -7.813 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.976 9.705 -7.771 1.00 0.00 H new ATOM 1362 N LYS A 90 1.653 8.003 -8.931 1.00 0.00 N ATOM 1363 CA LYS A 90 2.965 8.093 -9.551 1.00 0.00 C ATOM 1364 C LYS A 90 2.977 7.153 -10.753 1.00 0.00 C ATOM 1365 O LYS A 90 2.764 5.953 -10.595 1.00 0.00 O ATOM 1366 CB LYS A 90 4.070 7.781 -8.525 1.00 0.00 C ATOM 1367 CG LYS A 90 5.459 8.254 -8.983 1.00 0.00 C ATOM 1368 CD LYS A 90 6.173 7.247 -9.897 1.00 0.00 C ATOM 1369 CE LYS A 90 7.471 7.825 -10.473 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.211 8.881 -11.467 1.00 0.00 N ATOM 0 H LYS A 90 1.205 7.095 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 90 3.168 9.105 -9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.824 8.258 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.099 6.707 -8.344 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.357 9.203 -9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.079 8.441 -8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.396 6.340 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.509 6.961 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.078 8.230 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.050 7.026 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.105 9.162 -11.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.556 8.522 -12.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.787 9.705 -10.995 1.00 0.00 H new ATOM 1384 N VAL A 91 3.219 7.698 -11.949 1.00 0.00 N ATOM 1385 CA VAL A 91 3.295 6.952 -13.198 1.00 0.00 C ATOM 1386 C VAL A 91 4.775 6.715 -13.506 1.00 0.00 C ATOM 1387 O VAL A 91 5.567 7.652 -13.440 1.00 0.00 O ATOM 1388 CB VAL A 91 2.612 7.752 -14.324 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.696 7.008 -15.665 1.00 0.00 C ATOM 1390 CG2 VAL A 91 1.134 8.012 -14.002 1.00 0.00 C ATOM 0 H VAL A 91 3.371 8.699 -12.073 1.00 0.00 H new ATOM 0 HA VAL A 91 2.780 5.995 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 91 3.141 8.702 -14.401 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.205 7.598 -16.440 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.742 6.856 -15.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.200 6.041 -15.576 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.679 8.578 -14.815 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.614 7.061 -13.887 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.058 8.582 -13.076 1.00 0.00 H new ATOM 1400 N GLY A 92 5.147 5.478 -13.835 1.00 0.00 N ATOM 1401 CA GLY A 92 6.513 5.099 -14.152 1.00 0.00 C ATOM 1402 C GLY A 92 7.247 4.561 -12.924 1.00 0.00 C ATOM 1403 O GLY A 92 6.803 4.729 -11.789 1.00 0.00 O ATOM 0 H GLY A 92 4.490 4.700 -13.888 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.508 4.341 -14.935 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.048 5.962 -14.547 1.00 0.00 H new ATOM 1407 N ALA A 93 8.383 3.901 -13.161 1.00 0.00 N ATOM 1408 CA ALA A 93 9.214 3.340 -12.104 1.00 0.00 C ATOM 1409 C ALA A 93 9.984 4.453 -11.388 1.00 0.00 C ATOM 1410 O ALA A 93 10.057 5.581 -11.875 1.00 0.00 O ATOM 1411 CB ALA A 93 10.165 2.300 -12.702 1.00 0.00 C ATOM 0 H ALA A 93 8.751 3.742 -14.099 1.00 0.00 H new ATOM 0 HA ALA A 93 8.583 2.847 -11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.787 1.879 -11.912 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.586 1.504 -13.170 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.800 2.775 -13.450 1.00 0.00 H new ATOM 1417 N LEU A 94 10.576 4.130 -10.238 1.00 0.00 N ATOM 1418 CA LEU A 94 11.354 5.044 -9.417 1.00 0.00 C ATOM 1419 C LEU A 94 12.223 4.218 -8.475 1.00 0.00 C ATOM 1420 O LEU A 94 11.968 3.026 -8.295 1.00 0.00 O ATOM 1421 CB LEU A 94 10.440 6.026 -8.665 1.00 0.00 C ATOM 1422 CG LEU A 94 9.613 5.434 -7.508 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.762 6.550 -6.889 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.681 4.292 -7.933 1.00 0.00 C ATOM 0 H LEU A 94 10.522 3.191 -9.843 1.00 0.00 H new ATOM 0 HA LEU A 94 12.000 5.658 -10.044 1.00 0.00 H new ATOM 0 HB2 LEU A 94 11.056 6.833 -8.268 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.753 6.474 -9.383 1.00 0.00 H new ATOM 0 HG LEU A 94 10.325 5.016 -6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 94 8.171 6.144 -6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.414 7.338 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.095 6.962 -7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.133 3.927 -7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.976 4.657 -8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.271 3.479 -8.357 1.00 0.00 H new ATOM 1436 N SER A 95 13.254 4.830 -7.890 1.00 0.00 N ATOM 1437 CA SER A 95 14.155 4.132 -6.986 1.00 0.00 C ATOM 1438 C SER A 95 13.497 3.869 -5.633 1.00 0.00 C ATOM 1439 O SER A 95 12.507 4.508 -5.265 1.00 0.00 O ATOM 1440 CB SER A 95 15.433 4.957 -6.786 1.00 0.00 C ATOM 1441 OG SER A 95 15.122 6.186 -6.156 1.00 0.00 O ATOM 0 H SER A 95 13.482 5.814 -8.031 1.00 0.00 H new ATOM 0 HA SER A 95 14.402 3.170 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.145 4.398 -6.179 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.910 5.143 -7.748 1.00 0.00 H new ATOM 0 HG SER A 95 14.806 6.827 -6.827 1.00 0.00 H new ATOM 1447 N LYS A 96 14.105 2.961 -4.863 1.00 0.00 N ATOM 1448 CA LYS A 96 13.697 2.652 -3.502 1.00 0.00 C ATOM 1449 C LYS A 96 13.640 3.952 -2.699 1.00 0.00 C ATOM 1450 O LYS A 96 12.645 4.229 -2.040 1.00 0.00 O ATOM 1451 CB LYS A 96 14.700 1.647 -2.913 1.00 0.00 C ATOM 1452 CG LYS A 96 14.456 1.259 -1.447 1.00 0.00 C ATOM 1453 CD LYS A 96 13.193 0.407 -1.265 1.00 0.00 C ATOM 1454 CE LYS A 96 12.985 0.001 0.195 1.00 0.00 C ATOM 1455 NZ LYS A 96 14.102 -0.818 0.697 1.00 0.00 N ATOM 0 H LYS A 96 14.906 2.415 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 96 12.706 2.200 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.680 0.741 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.702 2.066 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 96 15.319 0.708 -1.072 1.00 0.00 H new ATOM 0 HG3 LYS A 96 14.370 2.164 -0.845 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.325 0.966 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.266 -0.487 -1.884 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.884 0.895 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.054 -0.557 0.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.852 -1.214 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 14.292 -1.593 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.952 -0.226 0.791 1.00 0.00 H new ATOM 1469 N GLY A 97 14.704 4.757 -2.777 1.00 0.00 N ATOM 1470 CA GLY A 97 14.791 6.035 -2.089 1.00 0.00 C ATOM 1471 C GLY A 97 13.623 6.947 -2.465 1.00 0.00 C ATOM 1472 O GLY A 97 12.894 7.410 -1.588 1.00 0.00 O ATOM 0 H GLY A 97 15.533 4.532 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.795 5.871 -1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.732 6.523 -2.341 1.00 0.00 H new ATOM 1476 N GLN A 98 13.427 7.197 -3.764 1.00 0.00 N ATOM 1477 CA GLN A 98 12.328 8.045 -4.216 1.00 0.00 C ATOM 1478 C GLN A 98 10.994 7.533 -3.675 1.00 0.00 C ATOM 1479 O GLN A 98 10.198 8.311 -3.153 1.00 0.00 O ATOM 1480 CB GLN A 98 12.283 8.098 -5.744 1.00 0.00 C ATOM 1481 CG GLN A 98 13.418 8.934 -6.341 1.00 0.00 C ATOM 1482 CD GLN A 98 13.515 8.675 -7.840 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.925 7.589 -8.244 1.00 0.00 O ATOM 1484 NE2 GLN A 98 13.123 9.632 -8.673 1.00 0.00 N ATOM 0 H GLN A 98 14.012 6.826 -4.513 1.00 0.00 H new ATOM 0 HA GLN A 98 12.499 9.051 -3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.337 7.084 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 98 11.326 8.513 -6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 98 13.238 9.993 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.362 8.682 -5.857 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.788 10.522 -8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 98 13.157 9.477 -9.681 1.00 0.00 H new ATOM 1493 N LEU A 99 10.746 6.226 -3.799 1.00 0.00 N ATOM 1494 CA LEU A 99 9.508 5.631 -3.322 1.00 0.00 C ATOM 1495 C LEU A 99 9.355 5.857 -1.815 1.00 0.00 C ATOM 1496 O LEU A 99 8.313 6.338 -1.375 1.00 0.00 O ATOM 1497 CB LEU A 99 9.443 4.154 -3.735 1.00 0.00 C ATOM 1498 CG LEU A 99 8.119 3.460 -3.380 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.876 4.203 -3.889 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.114 2.059 -3.996 1.00 0.00 C ATOM 0 H LEU A 99 11.392 5.564 -4.228 1.00 0.00 H new ATOM 0 HA LEU A 99 8.653 6.120 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.601 4.082 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.262 3.618 -3.255 1.00 0.00 H new ATOM 0 HG LEU A 99 8.064 3.437 -2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.980 3.653 -3.600 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.845 5.202 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.919 4.282 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.178 1.557 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.210 2.137 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.950 1.484 -3.598 1.00 0.00 H new ATOM 1512 N LYS A 100 10.391 5.554 -1.027 1.00 0.00 N ATOM 1513 CA LYS A 100 10.372 5.770 0.414 1.00 0.00 C ATOM 1514 C LYS A 100 9.996 7.213 0.743 1.00 0.00 C ATOM 1515 O LYS A 100 9.108 7.448 1.567 1.00 0.00 O ATOM 1516 CB LYS A 100 11.732 5.457 1.051 1.00 0.00 C ATOM 1517 CG LYS A 100 11.990 3.957 1.242 1.00 0.00 C ATOM 1518 CD LYS A 100 13.194 3.730 2.170 1.00 0.00 C ATOM 1519 CE LYS A 100 12.785 3.510 3.636 1.00 0.00 C ATOM 1520 NZ LYS A 100 12.008 4.631 4.195 1.00 0.00 N ATOM 0 H LYS A 100 11.262 5.153 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 100 9.624 5.091 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.521 5.876 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.793 5.954 2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.104 3.481 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.175 3.488 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.757 2.864 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.861 4.590 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.196 2.596 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.681 3.361 4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.908 4.505 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.502 5.526 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.066 4.654 3.755 1.00 0.00 H new ATOM 1534 N GLU A 101 10.684 8.171 0.111 1.00 0.00 N ATOM 1535 CA GLU A 101 10.448 9.589 0.335 1.00 0.00 C ATOM 1536 C GLU A 101 9.009 9.954 -0.023 1.00 0.00 C ATOM 1537 O GLU A 101 8.318 10.578 0.776 1.00 0.00 O ATOM 1538 CB GLU A 101 11.458 10.431 -0.456 1.00 0.00 C ATOM 1539 CG GLU A 101 12.892 10.280 0.077 1.00 0.00 C ATOM 1540 CD GLU A 101 13.042 10.824 1.494 1.00 0.00 C ATOM 1541 OE1 GLU A 101 13.019 12.066 1.628 1.00 0.00 O ATOM 1542 OE2 GLU A 101 13.168 9.988 2.415 1.00 0.00 O ATOM 0 H GLU A 101 11.419 7.978 -0.569 1.00 0.00 H new ATOM 0 HA GLU A 101 10.591 9.808 1.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.430 10.136 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.166 11.480 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.174 9.227 0.062 1.00 0.00 H new ATOM 0 HG3 GLU A 101 13.581 10.804 -0.586 1.00 0.00 H new ATOM 1549 N PHE A 102 8.554 9.556 -1.214 1.00 0.00 N ATOM 1550 CA PHE A 102 7.194 9.810 -1.673 1.00 0.00 C ATOM 1551 C PHE A 102 6.190 9.305 -0.635 1.00 0.00 C ATOM 1552 O PHE A 102 5.321 10.048 -0.177 1.00 0.00 O ATOM 1553 CB PHE A 102 6.979 9.136 -3.038 1.00 0.00 C ATOM 1554 CG PHE A 102 5.558 9.198 -3.570 1.00 0.00 C ATOM 1555 CD1 PHE A 102 5.142 10.279 -4.370 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.660 8.143 -3.307 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.851 10.290 -4.928 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.362 8.167 -3.844 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.960 9.234 -4.665 1.00 0.00 C ATOM 0 H PHE A 102 9.125 9.046 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 102 7.038 10.882 -1.793 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.643 9.603 -3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.276 8.090 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.816 11.102 -4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.971 7.313 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.543 11.110 -5.559 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.673 7.365 -3.626 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.969 9.243 -5.093 1.00 0.00 H new ATOM 1569 N LEU A 103 6.308 8.031 -0.259 1.00 0.00 N ATOM 1570 CA LEU A 103 5.410 7.419 0.702 1.00 0.00 C ATOM 1571 C LEU A 103 5.455 8.156 2.032 1.00 0.00 C ATOM 1572 O LEU A 103 4.409 8.517 2.560 1.00 0.00 O ATOM 1573 CB LEU A 103 5.759 5.940 0.879 1.00 0.00 C ATOM 1574 CG LEU A 103 5.484 5.140 -0.401 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.137 3.768 -0.261 1.00 0.00 C ATOM 1576 CD2 LEU A 103 3.985 5.003 -0.684 1.00 0.00 C ATOM 0 H LEU A 103 7.028 7.402 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 103 4.391 7.489 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.810 5.843 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.177 5.524 1.701 1.00 0.00 H new ATOM 0 HG LEU A 103 5.910 5.675 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.952 3.183 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.211 3.889 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.715 3.250 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.838 4.430 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.503 4.489 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.545 5.993 -0.802 1.00 0.00 H new ATOM 1588 N ASP A 104 6.652 8.399 2.568 1.00 0.00 N ATOM 1589 CA ASP A 104 6.810 9.115 3.826 1.00 0.00 C ATOM 1590 C ASP A 104 6.104 10.469 3.758 1.00 0.00 C ATOM 1591 O ASP A 104 5.269 10.779 4.605 1.00 0.00 O ATOM 1592 CB ASP A 104 8.298 9.281 4.154 1.00 0.00 C ATOM 1593 CG ASP A 104 8.477 10.032 5.467 1.00 0.00 C ATOM 1594 OD1 ASP A 104 8.386 9.360 6.518 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.691 11.261 5.397 1.00 0.00 O ATOM 0 H ASP A 104 7.531 8.106 2.142 1.00 0.00 H new ATOM 0 HA ASP A 104 6.349 8.536 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.773 8.302 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.795 9.822 3.349 1.00 0.00 H new ATOM 1600 N ALA A 105 6.427 11.265 2.737 1.00 0.00 N ATOM 1601 CA ALA A 105 5.858 12.585 2.517 1.00 0.00 C ATOM 1602 C ALA A 105 4.331 12.541 2.427 1.00 0.00 C ATOM 1603 O ALA A 105 3.659 13.424 2.955 1.00 0.00 O ATOM 1604 CB ALA A 105 6.458 13.197 1.247 1.00 0.00 C ATOM 0 H ALA A 105 7.108 10.998 2.026 1.00 0.00 H new ATOM 0 HA ALA A 105 6.108 13.210 3.374 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.031 14.186 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 105 7.539 13.283 1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.232 12.558 0.393 1.00 0.00 H new ATOM 1610 N ASN A 106 3.775 11.520 1.765 1.00 0.00 N ATOM 1611 CA ASN A 106 2.332 11.432 1.582 1.00 0.00 C ATOM 1612 C ASN A 106 1.654 10.944 2.860 1.00 0.00 C ATOM 1613 O ASN A 106 0.615 11.476 3.241 1.00 0.00 O ATOM 1614 CB ASN A 106 1.991 10.485 0.425 1.00 0.00 C ATOM 1615 CG ASN A 106 2.048 11.183 -0.929 1.00 0.00 C ATOM 1616 OD1 ASN A 106 1.059 11.760 -1.365 1.00 0.00 O ATOM 1617 ND2 ASN A 106 3.187 11.139 -1.606 1.00 0.00 N ATOM 0 H ASN A 106 4.303 10.751 1.352 1.00 0.00 H new ATOM 0 HA ASN A 106 1.963 12.430 1.345 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.686 9.646 0.428 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.993 10.073 0.577 1.00 0.00 H new ATOM 0 HD21 ASN A 106 3.257 11.594 -2.516 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.993 10.651 -1.216 1.00 0.00 H new ATOM 1624 N LEU A 107 2.222 9.942 3.533 1.00 0.00 N ATOM 1625 CA LEU A 107 1.675 9.430 4.783 1.00 0.00 C ATOM 1626 C LEU A 107 1.714 10.535 5.839 1.00 0.00 C ATOM 1627 O LEU A 107 0.734 10.757 6.546 1.00 0.00 O ATOM 1628 CB LEU A 107 2.448 8.180 5.235 1.00 0.00 C ATOM 1629 CG LEU A 107 2.188 6.959 4.336 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.280 5.916 4.582 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.818 6.325 4.609 1.00 0.00 C ATOM 0 H LEU A 107 3.070 9.467 3.226 1.00 0.00 H new ATOM 0 HA LEU A 107 0.637 9.130 4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.515 8.401 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.168 7.937 6.260 1.00 0.00 H new ATOM 0 HG LEU A 107 2.200 7.297 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.103 5.047 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.253 6.345 4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.263 5.611 5.628 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.677 5.467 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.769 5.999 5.648 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.034 7.058 4.421 1.00 0.00 H new ATOM 1643 N ALA A 108 2.836 11.253 5.933 1.00 0.00 N ATOM 1644 CA ALA A 108 2.986 12.365 6.858 1.00 0.00 C ATOM 1645 C ALA A 108 1.962 13.451 6.528 1.00 0.00 C ATOM 1646 O ALA A 108 1.870 14.455 7.234 1.00 0.00 O ATOM 1647 CB ALA A 108 4.416 12.910 6.783 1.00 0.00 C ATOM 0 H ALA A 108 3.665 11.074 5.366 1.00 0.00 H new ATOM 0 HA ALA A 108 2.805 12.024 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.525 13.743 7.477 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.120 12.122 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.622 13.253 5.769 1.00 0.00 H new TER 1653 ALA A 108