USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 768 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 14 HIS : no HE2:sc= -6.68! C(o=-6.7!,f=-9.9!) USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0264 (180deg=0) USER MOD Single : A 3 MET CE :methyl 150:sc= -0.352 (180deg=-0.931) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= -0.295 (180deg=-0.323) USER MOD Single : A 12 CYS SG : rot 180:sc= -5.7! USER MOD Single : A 13 SER OG : rot 59:sc= -0.917 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.936 K(o=0.94,f=-0.26) USER MOD Single : A 27 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.18) USER MOD Single : A 31 LYS NZ :NH3+ -166:sc= 0.402 (180deg=0.13) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0371) USER MOD Single : A 44 SER OG : rot -166:sc= -6.04! USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.805) USER MOD Single : A 55 SER OG : rot 25:sc= 0.301 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -125:sc= -2.06 (180deg=-3.21!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.131 K(o=-0.13,f=-2!) USER MOD Single : A 81 SER OG : rot -130:sc= -0.483 USER MOD Single : A 85 LYS NZ :NH3+ -154:sc= -0.266 (180deg=-1.21) USER MOD Single : A 86 SER OG : rot 120:sc= -0.711 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-11!) USER MOD Single : A 94 LYS NZ :NH3+ -126:sc= -0.124 (180deg=-0.562) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.981 20.768 9.446 1.00 0.00 N ATOM 2 CA GLY A 1 16.515 19.408 9.057 1.00 0.00 C ATOM 3 C GLY A 1 17.345 18.807 7.937 1.00 0.00 C ATOM 4 O GLY A 1 17.907 19.535 7.120 1.00 0.00 O ATOM 0 H1 GLY A 1 16.159 21.387 9.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.535 20.707 10.324 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.575 21.161 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.554 18.752 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.472 19.461 8.744 1.00 0.00 H new ATOM 10 N PRO A 2 17.440 17.468 7.875 1.00 0.00 N ATOM 11 CA PRO A 2 18.215 16.781 6.836 1.00 0.00 C ATOM 12 C PRO A 2 17.569 16.901 5.459 1.00 0.00 C ATOM 13 O PRO A 2 16.405 16.546 5.275 1.00 0.00 O ATOM 14 CB PRO A 2 18.218 15.322 7.299 1.00 0.00 C ATOM 15 CG PRO A 2 16.993 15.188 8.135 1.00 0.00 C ATOM 16 CD PRO A 2 16.802 16.520 8.807 1.00 0.00 C ATOM 0 HA PRO A 2 19.212 17.207 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.196 14.637 6.451 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.116 15.090 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 2 16.128 14.933 7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.108 14.392 8.871 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.746 16.749 8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.272 16.545 9.790 1.00 0.00 H new ATOM 24 N MET A 3 18.335 17.403 4.496 1.00 0.00 N ATOM 25 CA MET A 3 17.839 17.570 3.134 1.00 0.00 C ATOM 26 C MET A 3 18.116 16.327 2.295 1.00 0.00 C ATOM 27 O MET A 3 19.216 15.776 2.331 1.00 0.00 O ATOM 28 CB MET A 3 18.484 18.794 2.481 1.00 0.00 C ATOM 29 CG MET A 3 19.988 18.665 2.299 1.00 0.00 C ATOM 30 SD MET A 3 20.434 17.900 0.728 1.00 0.00 S ATOM 31 CE MET A 3 21.781 16.836 1.241 1.00 0.00 C ATOM 0 H MET A 3 19.301 17.701 4.633 1.00 0.00 H new ATOM 0 HA MET A 3 16.760 17.718 3.184 1.00 0.00 H new ATOM 0 HB2 MET A 3 18.022 18.962 1.508 1.00 0.00 H new ATOM 0 HB3 MET A 3 18.274 19.673 3.090 1.00 0.00 H new ATOM 0 HG2 MET A 3 20.444 19.653 2.360 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.400 18.073 3.117 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.816 15.957 0.597 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.723 17.379 1.165 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.625 16.523 2.273 1.00 0.00 H new ATOM 41 N GLY A 4 17.112 15.891 1.542 1.00 0.00 N ATOM 42 CA GLY A 4 17.271 14.717 0.703 1.00 0.00 C ATOM 43 C GLY A 4 16.321 13.597 1.085 1.00 0.00 C ATOM 44 O GLY A 4 16.756 12.489 1.402 1.00 0.00 O ATOM 0 H GLY A 4 16.192 16.329 1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.103 14.993 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.298 14.359 0.776 1.00 0.00 H new ATOM 48 N SER A 5 15.025 13.882 1.050 1.00 0.00 N ATOM 49 CA SER A 5 14.015 12.887 1.394 1.00 0.00 C ATOM 50 C SER A 5 14.070 11.708 0.427 1.00 0.00 C ATOM 51 O SER A 5 14.680 11.795 -0.637 1.00 0.00 O ATOM 52 CB SER A 5 12.620 13.515 1.373 1.00 0.00 C ATOM 53 OG SER A 5 12.646 14.832 1.898 1.00 0.00 O ATOM 0 H SER A 5 14.648 14.793 0.787 1.00 0.00 H new ATOM 0 HA SER A 5 14.224 12.523 2.400 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.242 13.535 0.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.933 12.901 1.955 1.00 0.00 H new ATOM 0 HG SER A 5 11.743 15.212 1.872 1.00 0.00 H new ATOM 59 N MET A 6 13.428 10.606 0.803 1.00 0.00 N ATOM 60 CA MET A 6 13.411 9.413 -0.035 1.00 0.00 C ATOM 61 C MET A 6 12.304 8.454 0.390 1.00 0.00 C ATOM 62 O MET A 6 11.596 7.899 -0.450 1.00 0.00 O ATOM 63 CB MET A 6 14.766 8.705 0.020 1.00 0.00 C ATOM 64 CG MET A 6 15.252 8.433 1.436 1.00 0.00 C ATOM 65 SD MET A 6 14.997 6.720 1.941 1.00 0.00 S ATOM 66 CE MET A 6 15.333 6.832 3.697 1.00 0.00 C ATOM 0 H MET A 6 12.914 10.515 1.680 1.00 0.00 H new ATOM 0 HA MET A 6 13.213 9.728 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 6 14.695 7.760 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 6 15.506 9.314 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 6 16.313 8.674 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 6 14.730 9.093 2.128 1.00 0.00 H new ATOM 0 HE1 MET A 6 15.216 5.849 4.153 1.00 0.00 H new ATOM 0 HE2 MET A 6 16.353 7.185 3.851 1.00 0.00 H new ATOM 0 HE3 MET A 6 14.634 7.531 4.157 1.00 0.00 H new ATOM 76 N ALA A 7 12.163 8.256 1.697 1.00 0.00 N ATOM 77 CA ALA A 7 11.143 7.356 2.224 1.00 0.00 C ATOM 78 C ALA A 7 9.856 8.103 2.568 1.00 0.00 C ATOM 79 O ALA A 7 9.013 7.588 3.301 1.00 0.00 O ATOM 80 CB ALA A 7 11.667 6.618 3.446 1.00 0.00 C ATOM 0 H ALA A 7 12.740 8.705 2.408 1.00 0.00 H new ATOM 0 HA ALA A 7 10.908 6.631 1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.894 5.951 3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.546 6.035 3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.937 7.338 4.218 1.00 0.00 H new ATOM 86 N ASP A 8 9.704 9.312 2.032 1.00 0.00 N ATOM 87 CA ASP A 8 8.509 10.111 2.285 1.00 0.00 C ATOM 88 C ASP A 8 7.253 9.339 1.889 1.00 0.00 C ATOM 89 O ASP A 8 6.164 9.592 2.406 1.00 0.00 O ATOM 90 CB ASP A 8 8.581 11.431 1.514 1.00 0.00 C ATOM 91 CG ASP A 8 8.262 12.629 2.388 1.00 0.00 C ATOM 92 OD1 ASP A 8 8.544 12.569 3.603 1.00 0.00 O ATOM 93 OD2 ASP A 8 7.730 13.627 1.856 1.00 0.00 O ATOM 0 H ASP A 8 10.390 9.757 1.423 1.00 0.00 H new ATOM 0 HA ASP A 8 8.460 10.328 3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.579 11.548 1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.883 11.399 0.678 1.00 0.00 H new ATOM 98 N LYS A 9 7.417 8.404 0.958 1.00 0.00 N ATOM 99 CA LYS A 9 6.316 7.597 0.467 1.00 0.00 C ATOM 100 C LYS A 9 6.053 6.392 1.349 1.00 0.00 C ATOM 101 O LYS A 9 6.815 6.089 2.267 1.00 0.00 O ATOM 102 CB LYS A 9 6.642 7.105 -0.936 1.00 0.00 C ATOM 103 CG LYS A 9 6.541 8.172 -2.003 1.00 0.00 C ATOM 104 CD LYS A 9 7.521 9.300 -1.761 1.00 0.00 C ATOM 105 CE LYS A 9 7.417 10.352 -2.848 1.00 0.00 C ATOM 106 NZ LYS A 9 7.417 11.734 -2.292 1.00 0.00 N ATOM 0 H LYS A 9 8.316 8.188 0.527 1.00 0.00 H new ATOM 0 HA LYS A 9 5.424 8.223 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.652 6.696 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.966 6.288 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.731 7.728 -2.980 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.526 8.570 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.325 9.755 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.536 8.904 -1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.251 10.240 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.503 10.192 -3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.344 12.421 -3.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.607 11.850 -1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.300 11.897 -1.767 1.00 0.00 H new ATOM 120 N ILE A 10 4.977 5.690 1.025 1.00 0.00 N ATOM 121 CA ILE A 10 4.604 4.488 1.744 1.00 0.00 C ATOM 122 C ILE A 10 4.801 3.302 0.843 1.00 0.00 C ATOM 123 O ILE A 10 4.434 3.330 -0.330 1.00 0.00 O ATOM 124 CB ILE A 10 3.138 4.480 2.215 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.643 5.901 2.460 1.00 0.00 C ATOM 126 CG2 ILE A 10 2.986 3.634 3.470 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.152 5.986 2.668 1.00 0.00 C ATOM 0 H ILE A 10 4.345 5.937 0.263 1.00 0.00 H new ATOM 0 HA ILE A 10 5.237 4.449 2.631 1.00 0.00 H new ATOM 0 HB ILE A 10 2.527 4.039 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.149 6.309 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.921 6.526 1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.944 3.640 3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.295 2.610 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.610 4.045 4.264 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.867 7.024 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.639 5.608 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.871 5.387 3.534 1.00 0.00 H new ATOM 139 N LYS A 11 5.372 2.267 1.395 1.00 0.00 N ATOM 140 CA LYS A 11 5.618 1.059 0.645 1.00 0.00 C ATOM 141 C LYS A 11 4.685 -0.027 1.131 1.00 0.00 C ATOM 142 O LYS A 11 4.998 -0.745 2.074 1.00 0.00 O ATOM 143 CB LYS A 11 7.082 0.644 0.789 1.00 0.00 C ATOM 144 CG LYS A 11 8.048 1.821 0.679 1.00 0.00 C ATOM 145 CD LYS A 11 9.240 1.652 1.605 1.00 0.00 C ATOM 146 CE LYS A 11 10.376 0.914 0.915 1.00 0.00 C ATOM 147 NZ LYS A 11 11.664 1.656 1.017 1.00 0.00 N ATOM 0 H LYS A 11 5.679 2.233 2.367 1.00 0.00 H new ATOM 0 HA LYS A 11 5.425 1.232 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.222 0.155 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.323 -0.090 0.020 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.396 1.913 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.525 2.746 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.588 2.631 1.936 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.936 1.103 2.496 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.490 -0.074 1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.126 0.763 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.434 1.068 0.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.601 2.537 0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.857 1.881 2.014 1.00 0.00 H new ATOM 161 N CYS A 12 3.517 -0.119 0.498 1.00 0.00 N ATOM 162 CA CYS A 12 2.520 -1.102 0.884 1.00 0.00 C ATOM 163 C CYS A 12 2.009 -1.873 -0.333 1.00 0.00 C ATOM 164 O CYS A 12 2.457 -1.649 -1.455 1.00 0.00 O ATOM 165 CB CYS A 12 1.365 -0.439 1.641 1.00 0.00 C ATOM 166 SG CYS A 12 1.890 0.718 2.925 1.00 0.00 S ATOM 0 H CYS A 12 3.243 0.477 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 12 2.995 -1.818 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.733 0.090 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.750 -1.216 2.096 1.00 0.00 H new ATOM 0 HG CYS A 12 0.844 1.227 3.505 1.00 0.00 H new ATOM 172 N SER A 13 1.086 -2.793 -0.094 1.00 0.00 N ATOM 173 CA SER A 13 0.508 -3.613 -1.154 1.00 0.00 C ATOM 174 C SER A 13 -1.010 -3.482 -1.140 1.00 0.00 C ATOM 175 O SER A 13 -1.584 -3.008 -0.161 1.00 0.00 O ATOM 176 CB SER A 13 0.910 -5.079 -0.979 1.00 0.00 C ATOM 177 OG SER A 13 0.083 -5.931 -1.751 1.00 0.00 O ATOM 0 H SER A 13 0.716 -2.993 0.835 1.00 0.00 H new ATOM 0 HA SER A 13 0.889 -3.263 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.951 -5.212 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.840 -5.355 0.073 1.00 0.00 H new ATOM 0 HG SER A 13 0.154 -5.686 -2.697 1.00 0.00 H new ATOM 183 N HIS A 14 -1.664 -3.882 -2.227 1.00 0.00 N ATOM 184 CA HIS A 14 -3.116 -3.777 -2.301 1.00 0.00 C ATOM 185 C HIS A 14 -3.758 -4.990 -2.968 1.00 0.00 C ATOM 186 O HIS A 14 -3.132 -5.689 -3.766 1.00 0.00 O ATOM 187 CB HIS A 14 -3.516 -2.499 -3.045 1.00 0.00 C ATOM 188 CG HIS A 14 -3.270 -2.552 -4.525 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.551 -3.556 -5.138 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.655 -1.711 -5.515 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.506 -3.333 -6.439 1.00 0.00 C ATOM 192 NE2 HIS A 14 -3.168 -2.221 -6.693 1.00 0.00 N ATOM 0 H HIS A 14 -1.219 -4.276 -3.056 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.485 -3.739 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.574 -2.305 -2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.964 -1.658 -2.625 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.121 -4.348 -4.661 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.236 -0.808 -5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.011 -3.955 -7.170 1.00 0.00 H new ATOM 201 N ILE A 15 -5.024 -5.213 -2.631 1.00 0.00 N ATOM 202 CA ILE A 15 -5.799 -6.319 -3.180 1.00 0.00 C ATOM 203 C ILE A 15 -7.248 -5.875 -3.383 1.00 0.00 C ATOM 204 O ILE A 15 -7.802 -5.151 -2.555 1.00 0.00 O ATOM 205 CB ILE A 15 -5.738 -7.561 -2.257 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.365 -8.228 -2.368 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.842 -8.560 -2.594 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.343 -7.677 -1.398 1.00 0.00 C ATOM 0 H ILE A 15 -5.541 -4.633 -1.970 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.368 -6.602 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.893 -7.228 -1.231 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.476 -9.299 -2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.992 -8.105 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.771 -9.420 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.814 -8.084 -2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.730 -8.891 -3.627 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.395 -8.197 -1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.203 -6.612 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.694 -7.824 -0.377 1.00 0.00 H new ATOM 220 N LEU A 16 -7.850 -6.285 -4.496 1.00 0.00 N ATOM 221 CA LEU A 16 -9.222 -5.892 -4.799 1.00 0.00 C ATOM 222 C LEU A 16 -10.118 -7.089 -5.111 1.00 0.00 C ATOM 223 O LEU A 16 -9.755 -7.960 -5.897 1.00 0.00 O ATOM 224 CB LEU A 16 -9.237 -4.922 -5.983 1.00 0.00 C ATOM 225 CG LEU A 16 -9.795 -3.532 -5.676 1.00 0.00 C ATOM 226 CD1 LEU A 16 -9.377 -2.545 -6.753 1.00 0.00 C ATOM 227 CD2 LEU A 16 -11.310 -3.582 -5.556 1.00 0.00 C ATOM 0 H LEU A 16 -7.414 -6.884 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.620 -5.407 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.219 -4.813 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.826 -5.363 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.386 -3.196 -4.723 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.782 -1.560 -6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.289 -2.490 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.760 -2.876 -7.718 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.691 -2.584 -5.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.738 -3.936 -6.494 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.589 -4.261 -4.751 1.00 0.00 H new ATOM 239 N VAL A 17 -11.302 -7.099 -4.503 1.00 0.00 N ATOM 240 CA VAL A 17 -12.280 -8.156 -4.730 1.00 0.00 C ATOM 241 C VAL A 17 -13.688 -7.656 -4.457 1.00 0.00 C ATOM 242 O VAL A 17 -13.941 -7.021 -3.434 1.00 0.00 O ATOM 243 CB VAL A 17 -12.039 -9.383 -3.836 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.739 -10.080 -4.193 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.069 -8.983 -2.372 1.00 0.00 C ATOM 0 H VAL A 17 -11.607 -6.381 -3.846 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.167 -8.448 -5.774 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.844 -10.096 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.598 -10.943 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.776 -10.410 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.907 -9.388 -4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.897 -9.862 -1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.290 -8.245 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.042 -8.554 -2.132 1.00 0.00 H new ATOM 255 N LYS A 18 -14.611 -7.969 -5.355 1.00 0.00 N ATOM 256 CA LYS A 18 -15.996 -7.570 -5.169 1.00 0.00 C ATOM 257 C LYS A 18 -16.577 -8.297 -3.959 1.00 0.00 C ATOM 258 O LYS A 18 -17.607 -7.901 -3.412 1.00 0.00 O ATOM 259 CB LYS A 18 -16.816 -7.876 -6.423 1.00 0.00 C ATOM 260 CG LYS A 18 -16.252 -7.243 -7.685 1.00 0.00 C ATOM 261 CD LYS A 18 -16.491 -8.121 -8.903 1.00 0.00 C ATOM 262 CE LYS A 18 -15.420 -7.910 -9.960 1.00 0.00 C ATOM 263 NZ LYS A 18 -15.096 -9.172 -10.681 1.00 0.00 N ATOM 0 H LYS A 18 -14.428 -8.493 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.037 -6.495 -4.993 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.867 -8.956 -6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.837 -7.525 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.713 -6.268 -7.842 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.182 -7.073 -7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.504 -9.168 -8.601 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.470 -7.899 -9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.758 -7.160 -10.675 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.518 -7.518 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.362 -8.986 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.749 -9.880 -10.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.951 -9.533 -11.151 1.00 0.00 H new ATOM 277 N LYS A 19 -15.888 -9.358 -3.539 1.00 0.00 N ATOM 278 CA LYS A 19 -16.284 -10.147 -2.397 1.00 0.00 C ATOM 279 C LYS A 19 -16.027 -9.363 -1.112 1.00 0.00 C ATOM 280 O LYS A 19 -15.028 -9.578 -0.428 1.00 0.00 O ATOM 281 CB LYS A 19 -15.469 -11.433 -2.408 1.00 0.00 C ATOM 282 CG LYS A 19 -16.277 -12.693 -2.178 1.00 0.00 C ATOM 283 CD LYS A 19 -17.231 -12.559 -0.998 1.00 0.00 C ATOM 284 CE LYS A 19 -18.265 -13.675 -0.991 1.00 0.00 C ATOM 285 NZ LYS A 19 -18.571 -14.138 0.391 1.00 0.00 N ATOM 0 H LYS A 19 -15.035 -9.687 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.348 -10.381 -2.444 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.957 -11.515 -3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.698 -11.366 -1.640 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.846 -12.927 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.600 -13.529 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.665 -12.579 -0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.735 -11.594 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.180 -13.325 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.898 -14.514 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.279 -14.899 0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.703 -14.496 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.945 -13.344 0.948 1.00 0.00 H new ATOM 299 N GLN A 20 -16.916 -8.427 -0.812 1.00 0.00 N ATOM 300 CA GLN A 20 -16.773 -7.577 0.364 1.00 0.00 C ATOM 301 C GLN A 20 -16.435 -8.370 1.625 1.00 0.00 C ATOM 302 O GLN A 20 -15.621 -7.926 2.436 1.00 0.00 O ATOM 303 CB GLN A 20 -18.050 -6.765 0.592 1.00 0.00 C ATOM 304 CG GLN A 20 -18.605 -6.131 -0.672 1.00 0.00 C ATOM 305 CD GLN A 20 -19.929 -6.736 -1.097 1.00 0.00 C ATOM 306 OE1 GLN A 20 -20.952 -6.542 -0.441 1.00 0.00 O ATOM 307 NE2 GLN A 20 -19.916 -7.474 -2.201 1.00 0.00 N ATOM 0 H GLN A 20 -17.749 -8.235 -1.369 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.937 -6.906 0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -18.810 -7.414 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.846 -5.981 1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.734 -5.061 -0.510 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -17.882 -6.246 -1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -19.045 -7.609 -2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.777 -7.906 -2.536 1.00 0.00 H new ATOM 316 N GLY A 21 -17.060 -9.526 1.801 1.00 0.00 N ATOM 317 CA GLY A 21 -16.791 -10.319 2.985 1.00 0.00 C ATOM 318 C GLY A 21 -15.401 -10.909 2.990 1.00 0.00 C ATOM 319 O GLY A 21 -14.790 -11.079 4.048 1.00 0.00 O ATOM 0 H GLY A 21 -17.740 -9.926 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.920 -9.697 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.523 -11.124 3.052 1.00 0.00 H new ATOM 323 N GLU A 22 -14.889 -11.209 1.809 1.00 0.00 N ATOM 324 CA GLU A 22 -13.557 -11.771 1.681 1.00 0.00 C ATOM 325 C GLU A 22 -12.507 -10.750 2.101 1.00 0.00 C ATOM 326 O GLU A 22 -11.556 -11.069 2.813 1.00 0.00 O ATOM 327 CB GLU A 22 -13.330 -12.220 0.239 1.00 0.00 C ATOM 328 CG GLU A 22 -12.589 -11.220 -0.620 1.00 0.00 C ATOM 329 CD GLU A 22 -11.088 -11.305 -0.442 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.504 -12.345 -0.813 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.496 -10.330 0.064 1.00 0.00 O ATOM 0 H GLU A 22 -15.377 -11.072 0.924 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.466 -12.636 2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.773 -13.157 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.297 -12.428 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.838 -11.390 -1.667 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.925 -10.213 -0.372 1.00 0.00 H new ATOM 338 N ALA A 23 -12.700 -9.518 1.648 1.00 0.00 N ATOM 339 CA ALA A 23 -11.789 -8.423 1.960 1.00 0.00 C ATOM 340 C ALA A 23 -11.464 -8.405 3.453 1.00 0.00 C ATOM 341 O ALA A 23 -10.327 -8.160 3.852 1.00 0.00 O ATOM 342 CB ALA A 23 -12.397 -7.095 1.528 1.00 0.00 C ATOM 0 H ALA A 23 -13.487 -9.250 1.057 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.860 -8.575 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.708 -6.285 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.581 -7.111 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.338 -6.937 2.055 1.00 0.00 H new ATOM 348 N LEU A 24 -12.482 -8.681 4.266 1.00 0.00 N ATOM 349 CA LEU A 24 -12.329 -8.716 5.718 1.00 0.00 C ATOM 350 C LEU A 24 -11.557 -9.954 6.159 1.00 0.00 C ATOM 351 O LEU A 24 -10.888 -9.950 7.191 1.00 0.00 O ATOM 352 CB LEU A 24 -13.701 -8.684 6.397 1.00 0.00 C ATOM 353 CG LEU A 24 -13.760 -7.902 7.710 1.00 0.00 C ATOM 354 CD1 LEU A 24 -12.657 -8.354 8.655 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.657 -6.408 7.445 1.00 0.00 C ATOM 0 H LEU A 24 -13.427 -8.885 3.941 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.762 -7.835 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.422 -8.252 5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.018 -9.709 6.589 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.720 -8.103 8.185 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.717 -7.785 9.583 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.776 -9.416 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.686 -8.186 8.188 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.701 -5.867 8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.712 -6.191 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.484 -6.094 6.808 1.00 0.00 H new ATOM 367 N ALA A 25 -11.671 -11.025 5.382 1.00 0.00 N ATOM 368 CA ALA A 25 -10.991 -12.274 5.701 1.00 0.00 C ATOM 369 C ALA A 25 -9.517 -12.222 5.312 1.00 0.00 C ATOM 370 O ALA A 25 -8.640 -12.488 6.133 1.00 0.00 O ATOM 371 CB ALA A 25 -11.682 -13.436 5.002 1.00 0.00 C ATOM 0 H ALA A 25 -12.227 -11.053 4.528 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.044 -12.421 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.167 -14.365 5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.718 -13.497 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.656 -13.279 3.924 1.00 0.00 H new ATOM 377 N VAL A 26 -9.251 -11.890 4.052 1.00 0.00 N ATOM 378 CA VAL A 26 -7.881 -11.817 3.550 1.00 0.00 C ATOM 379 C VAL A 26 -6.980 -10.995 4.461 1.00 0.00 C ATOM 380 O VAL A 26 -5.803 -11.296 4.597 1.00 0.00 O ATOM 381 CB VAL A 26 -7.815 -11.227 2.129 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.709 -12.010 1.184 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.184 -9.750 2.142 1.00 0.00 C ATOM 0 H VAL A 26 -9.966 -11.667 3.359 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.524 -12.847 3.527 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.790 -11.311 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.649 -11.578 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.381 -13.049 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.739 -11.966 1.537 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.131 -9.353 1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.197 -9.632 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.488 -9.207 2.781 1.00 0.00 H new ATOM 393 N GLN A 27 -7.524 -9.954 5.085 1.00 0.00 N ATOM 394 CA GLN A 27 -6.715 -9.126 5.971 1.00 0.00 C ATOM 395 C GLN A 27 -6.152 -9.976 7.106 1.00 0.00 C ATOM 396 O GLN A 27 -4.957 -9.926 7.395 1.00 0.00 O ATOM 397 CB GLN A 27 -7.522 -7.939 6.515 1.00 0.00 C ATOM 398 CG GLN A 27 -8.626 -8.319 7.483 1.00 0.00 C ATOM 399 CD GLN A 27 -9.162 -7.127 8.251 1.00 0.00 C ATOM 400 OE1 GLN A 27 -9.406 -7.209 9.455 1.00 0.00 O ATOM 401 NE2 GLN A 27 -9.346 -6.008 7.559 1.00 0.00 N ATOM 0 H GLN A 27 -8.499 -9.669 4.997 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.884 -8.715 5.398 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.840 -7.251 7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.962 -7.400 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.441 -8.789 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.248 -9.060 8.187 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.131 -5.984 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.702 -5.173 8.024 1.00 0.00 H new ATOM 410 N GLU A 28 -7.017 -10.772 7.726 1.00 0.00 N ATOM 411 CA GLU A 28 -6.609 -11.658 8.810 1.00 0.00 C ATOM 412 C GLU A 28 -5.808 -12.842 8.262 1.00 0.00 C ATOM 413 O GLU A 28 -4.958 -13.410 8.949 1.00 0.00 O ATOM 414 CB GLU A 28 -7.844 -12.149 9.583 1.00 0.00 C ATOM 415 CG GLU A 28 -8.423 -13.463 9.078 1.00 0.00 C ATOM 416 CD GLU A 28 -7.887 -14.664 9.832 1.00 0.00 C ATOM 417 OE1 GLU A 28 -6.737 -15.069 9.561 1.00 0.00 O ATOM 418 OE2 GLU A 28 -8.616 -15.200 10.692 1.00 0.00 O ATOM 0 H GLU A 28 -8.009 -10.821 7.495 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.968 -11.103 9.495 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.577 -12.264 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.617 -11.382 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.509 -13.436 9.169 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.195 -13.573 8.018 1.00 0.00 H new ATOM 425 N ARG A 29 -6.114 -13.212 7.022 1.00 0.00 N ATOM 426 CA ARG A 29 -5.464 -14.334 6.353 1.00 0.00 C ATOM 427 C ARG A 29 -4.081 -13.956 5.826 1.00 0.00 C ATOM 428 O ARG A 29 -3.157 -14.769 5.834 1.00 0.00 O ATOM 429 CB ARG A 29 -6.348 -14.797 5.193 1.00 0.00 C ATOM 430 CG ARG A 29 -6.237 -16.278 4.877 1.00 0.00 C ATOM 431 CD ARG A 29 -6.603 -17.136 6.079 1.00 0.00 C ATOM 432 NE ARG A 29 -5.427 -17.752 6.690 1.00 0.00 N ATOM 433 CZ ARG A 29 -4.834 -18.846 6.217 1.00 0.00 C ATOM 434 NH1 ARG A 29 -5.299 -19.445 5.127 1.00 0.00 N ATOM 435 NH2 ARG A 29 -3.771 -19.343 6.835 1.00 0.00 N ATOM 0 H ARG A 29 -6.819 -12.743 6.453 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.331 -15.137 7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.387 -14.564 5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.087 -14.226 4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.893 -16.523 4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.219 -16.508 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.117 -16.523 6.819 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.301 -17.914 5.770 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.038 -17.319 7.527 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.116 -19.067 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.840 -20.283 4.770 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.408 -18.887 7.672 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.316 -20.181 6.473 1.00 0.00 H new ATOM 449 N LEU A 30 -3.958 -12.722 5.357 1.00 0.00 N ATOM 450 CA LEU A 30 -2.705 -12.216 4.807 1.00 0.00 C ATOM 451 C LEU A 30 -1.548 -12.423 5.783 1.00 0.00 C ATOM 452 O LEU A 30 -0.558 -13.076 5.454 1.00 0.00 O ATOM 453 CB LEU A 30 -2.859 -10.731 4.453 1.00 0.00 C ATOM 454 CG LEU A 30 -1.783 -10.153 3.528 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.395 -10.390 4.100 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.903 -10.753 2.133 1.00 0.00 C ATOM 0 H LEU A 30 -4.720 -12.044 5.346 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.472 -12.776 3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.832 -10.588 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.864 -10.155 5.378 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.937 -9.076 3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.353 -9.971 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.316 -9.908 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.225 -11.461 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.132 -10.332 1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.778 -11.834 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.886 -10.523 1.721 1.00 0.00 H new ATOM 468 N LYS A 31 -1.679 -11.867 6.980 1.00 0.00 N ATOM 469 CA LYS A 31 -0.642 -11.997 7.999 1.00 0.00 C ATOM 470 C LYS A 31 -0.587 -13.419 8.557 1.00 0.00 C ATOM 471 O LYS A 31 0.331 -13.767 9.300 1.00 0.00 O ATOM 472 CB LYS A 31 -0.886 -10.999 9.134 1.00 0.00 C ATOM 473 CG LYS A 31 -2.125 -11.305 9.961 1.00 0.00 C ATOM 474 CD LYS A 31 -3.265 -10.350 9.641 1.00 0.00 C ATOM 475 CE LYS A 31 -3.884 -9.774 10.905 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.740 -8.591 10.615 1.00 0.00 N ATOM 0 H LYS A 31 -2.491 -11.322 7.270 1.00 0.00 H new ATOM 0 HA LYS A 31 0.317 -11.779 7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.016 -10.988 9.790 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.979 -9.998 8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.445 -12.330 9.772 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.881 -11.238 11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.896 -9.539 9.014 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.029 -10.874 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.480 -10.541 11.399 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.093 -9.489 11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.949 -8.088 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.240 -7.952 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.629 -8.905 10.177 1.00 0.00 H new ATOM 490 N ALA A 32 -1.575 -14.237 8.202 1.00 0.00 N ATOM 491 CA ALA A 32 -1.636 -15.613 8.673 1.00 0.00 C ATOM 492 C ALA A 32 -0.399 -16.396 8.248 1.00 0.00 C ATOM 493 O ALA A 32 -0.042 -17.398 8.867 1.00 0.00 O ATOM 494 CB ALA A 32 -2.893 -16.290 8.151 1.00 0.00 C ATOM 0 H ALA A 32 -2.344 -13.968 7.589 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.666 -15.597 9.762 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.928 -17.319 8.510 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.771 -15.751 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.883 -16.286 7.061 1.00 0.00 H new ATOM 500 N GLY A 33 0.247 -15.936 7.183 1.00 0.00 N ATOM 501 CA GLY A 33 1.427 -16.601 6.685 1.00 0.00 C ATOM 502 C GLY A 33 1.606 -16.412 5.191 1.00 0.00 C ATOM 503 O GLY A 33 2.705 -16.587 4.664 1.00 0.00 O ATOM 0 H GLY A 33 -0.031 -15.109 6.655 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.305 -16.217 7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.363 -17.666 6.909 1.00 0.00 H new ATOM 507 N GLU A 34 0.525 -16.050 4.507 1.00 0.00 N ATOM 508 CA GLU A 34 0.570 -15.836 3.066 1.00 0.00 C ATOM 509 C GLU A 34 1.125 -14.455 2.742 1.00 0.00 C ATOM 510 O GLU A 34 1.090 -13.549 3.575 1.00 0.00 O ATOM 511 CB GLU A 34 -0.823 -15.993 2.454 1.00 0.00 C ATOM 512 CG GLU A 34 -1.846 -15.015 3.004 1.00 0.00 C ATOM 513 CD GLU A 34 -3.261 -15.345 2.571 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.425 -16.198 1.672 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.207 -14.748 3.129 1.00 0.00 O ATOM 0 H GLU A 34 -0.392 -15.899 4.928 1.00 0.00 H new ATOM 0 HA GLU A 34 1.231 -16.588 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.752 -15.862 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.175 -17.010 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.794 -15.015 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.594 -14.007 2.673 1.00 0.00 H new ATOM 522 N LYS A 35 1.641 -14.303 1.529 1.00 0.00 N ATOM 523 CA LYS A 35 2.208 -13.032 1.096 1.00 0.00 C ATOM 524 C LYS A 35 1.237 -12.273 0.201 1.00 0.00 C ATOM 525 O LYS A 35 0.457 -12.872 -0.539 1.00 0.00 O ATOM 526 CB LYS A 35 3.537 -13.261 0.366 1.00 0.00 C ATOM 527 CG LYS A 35 3.384 -13.579 -1.113 1.00 0.00 C ATOM 528 CD LYS A 35 4.708 -13.991 -1.737 1.00 0.00 C ATOM 529 CE LYS A 35 4.525 -14.479 -3.164 1.00 0.00 C ATOM 530 NZ LYS A 35 5.467 -15.582 -3.500 1.00 0.00 N ATOM 0 H LYS A 35 1.679 -15.043 0.828 1.00 0.00 H new ATOM 0 HA LYS A 35 2.393 -12.427 1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.157 -12.371 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.069 -14.080 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.656 -14.380 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.991 -12.706 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.395 -13.145 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.164 -14.779 -1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.500 -14.823 -3.301 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.678 -13.649 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.309 -15.886 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.446 -15.247 -3.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.305 -16.385 -2.859 1.00 0.00 H new ATOM 544 N PHE A 36 1.298 -10.949 0.274 1.00 0.00 N ATOM 545 CA PHE A 36 0.431 -10.093 -0.530 1.00 0.00 C ATOM 546 C PHE A 36 0.474 -10.497 -2.001 1.00 0.00 C ATOM 547 O PHE A 36 -0.547 -10.488 -2.690 1.00 0.00 O ATOM 548 CB PHE A 36 0.844 -8.624 -0.389 1.00 0.00 C ATOM 549 CG PHE A 36 2.318 -8.418 -0.170 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.216 -8.576 -1.211 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.801 -8.067 1.081 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.571 -8.387 -1.012 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.156 -7.878 1.288 1.00 0.00 C ATOM 554 CZ PHE A 36 5.041 -8.039 0.239 1.00 0.00 C ATOM 0 H PHE A 36 1.940 -10.443 0.883 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.588 -10.216 -0.163 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.542 -8.085 -1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.299 -8.183 0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.854 -8.850 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.112 -7.940 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.261 -8.511 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.521 -7.605 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.099 -7.893 0.397 1.00 0.00 H new ATOM 564 N GLY A 37 1.665 -10.849 -2.476 1.00 0.00 N ATOM 565 CA GLY A 37 1.824 -11.249 -3.861 1.00 0.00 C ATOM 566 C GLY A 37 0.950 -12.430 -4.234 1.00 0.00 C ATOM 567 O GLY A 37 0.474 -12.522 -5.365 1.00 0.00 O ATOM 0 H GLY A 37 2.523 -10.864 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.583 -10.406 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.868 -11.503 -4.044 1.00 0.00 H new ATOM 571 N LYS A 38 0.743 -13.339 -3.286 1.00 0.00 N ATOM 572 CA LYS A 38 -0.076 -14.519 -3.531 1.00 0.00 C ATOM 573 C LYS A 38 -1.530 -14.131 -3.776 1.00 0.00 C ATOM 574 O LYS A 38 -2.115 -14.498 -4.794 1.00 0.00 O ATOM 575 CB LYS A 38 0.014 -15.482 -2.345 1.00 0.00 C ATOM 576 CG LYS A 38 1.113 -16.523 -2.488 1.00 0.00 C ATOM 577 CD LYS A 38 0.628 -17.740 -3.258 1.00 0.00 C ATOM 578 CE LYS A 38 -0.357 -18.562 -2.441 1.00 0.00 C ATOM 579 NZ LYS A 38 -0.024 -20.013 -2.466 1.00 0.00 N ATOM 0 H LYS A 38 1.130 -13.281 -2.344 1.00 0.00 H new ATOM 0 HA LYS A 38 0.304 -15.015 -4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.185 -14.908 -1.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.943 -15.990 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.968 -16.083 -3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.457 -16.829 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.154 -17.419 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.481 -18.361 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.358 -18.208 -1.410 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.364 -18.414 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.719 -20.538 -1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.047 -20.358 -3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.927 -20.158 -2.071 1.00 0.00 H new ATOM 593 N LEU A 39 -2.105 -13.379 -2.840 1.00 0.00 N ATOM 594 CA LEU A 39 -3.488 -12.932 -2.950 1.00 0.00 C ATOM 595 C LEU A 39 -3.703 -12.165 -4.245 1.00 0.00 C ATOM 596 O LEU A 39 -4.781 -12.209 -4.835 1.00 0.00 O ATOM 597 CB LEU A 39 -3.871 -12.037 -1.767 1.00 0.00 C ATOM 598 CG LEU A 39 -3.856 -12.703 -0.383 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.598 -14.028 -0.407 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.432 -12.901 0.116 1.00 0.00 C ATOM 0 H LEU A 39 -1.630 -13.066 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.121 -13.820 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.190 -11.186 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.870 -11.641 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.370 -12.035 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.572 -14.478 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.634 -13.860 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.122 -14.699 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.453 -13.374 1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.887 -13.537 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.935 -11.934 0.190 1.00 0.00 H new ATOM 612 N ALA A 40 -2.665 -11.460 -4.687 1.00 0.00 N ATOM 613 CA ALA A 40 -2.745 -10.675 -5.912 1.00 0.00 C ATOM 614 C ALA A 40 -3.269 -11.526 -7.062 1.00 0.00 C ATOM 615 O ALA A 40 -4.238 -11.167 -7.730 1.00 0.00 O ATOM 616 CB ALA A 40 -1.380 -10.100 -6.252 1.00 0.00 C ATOM 0 H ALA A 40 -1.762 -11.417 -4.215 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.442 -9.852 -5.754 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.450 -9.515 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.042 -9.459 -5.438 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.668 -10.913 -6.394 1.00 0.00 H new ATOM 622 N LYS A 41 -2.630 -12.665 -7.273 1.00 0.00 N ATOM 623 CA LYS A 41 -3.032 -13.590 -8.320 1.00 0.00 C ATOM 624 C LYS A 41 -4.120 -14.542 -7.826 1.00 0.00 C ATOM 625 O LYS A 41 -4.859 -15.121 -8.624 1.00 0.00 O ATOM 626 CB LYS A 41 -1.823 -14.390 -8.813 1.00 0.00 C ATOM 627 CG LYS A 41 -1.081 -15.115 -7.703 1.00 0.00 C ATOM 628 CD LYS A 41 -0.284 -16.291 -8.244 1.00 0.00 C ATOM 629 CE LYS A 41 1.126 -15.877 -8.634 1.00 0.00 C ATOM 630 NZ LYS A 41 1.197 -15.417 -10.048 1.00 0.00 N ATOM 0 H LYS A 41 -1.824 -12.973 -6.728 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.437 -13.007 -9.147 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.157 -15.118 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.133 -13.715 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.410 -14.420 -7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.793 -15.469 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.238 -17.078 -7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.794 -16.709 -9.111 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.466 -15.078 -7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.804 -16.718 -8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.192 -15.289 -10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.756 -16.127 -10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.693 -14.513 -10.145 1.00 0.00 H new ATOM 644 N GLU A 42 -4.180 -14.739 -6.509 1.00 0.00 N ATOM 645 CA GLU A 42 -5.141 -15.667 -5.916 1.00 0.00 C ATOM 646 C GLU A 42 -6.592 -15.180 -6.010 1.00 0.00 C ATOM 647 O GLU A 42 -7.392 -15.765 -6.741 1.00 0.00 O ATOM 648 CB GLU A 42 -4.760 -15.920 -4.454 1.00 0.00 C ATOM 649 CG GLU A 42 -4.359 -17.356 -4.173 1.00 0.00 C ATOM 650 CD GLU A 42 -4.718 -17.799 -2.769 1.00 0.00 C ATOM 651 OE1 GLU A 42 -4.681 -16.951 -1.852 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.037 -18.992 -2.585 1.00 0.00 O ATOM 0 H GLU A 42 -3.576 -14.269 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.094 -16.593 -6.489 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.935 -15.261 -4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.603 -15.655 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.847 -18.013 -4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.284 -17.464 -4.320 1.00 0.00 H new ATOM 659 N LEU A 43 -6.942 -14.124 -5.277 1.00 0.00 N ATOM 660 CA LEU A 43 -8.316 -13.609 -5.311 1.00 0.00 C ATOM 661 C LEU A 43 -8.390 -12.163 -5.792 1.00 0.00 C ATOM 662 O LEU A 43 -9.475 -11.660 -6.081 1.00 0.00 O ATOM 663 CB LEU A 43 -8.991 -13.734 -3.940 1.00 0.00 C ATOM 664 CG LEU A 43 -8.132 -13.362 -2.731 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.128 -14.462 -2.434 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.432 -12.029 -2.952 1.00 0.00 C ATOM 0 H LEU A 43 -6.308 -13.614 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.852 -14.226 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.880 -13.103 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.330 -14.763 -3.817 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.786 -13.255 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.525 -14.181 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.658 -15.390 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.480 -14.606 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.827 -11.786 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.790 -12.096 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.177 -11.248 -3.106 1.00 0.00 H new ATOM 678 N SER A 44 -7.251 -11.487 -5.863 1.00 0.00 N ATOM 679 CA SER A 44 -7.230 -10.094 -6.294 1.00 0.00 C ATOM 680 C SER A 44 -7.700 -9.950 -7.740 1.00 0.00 C ATOM 681 O SER A 44 -7.239 -10.667 -8.629 1.00 0.00 O ATOM 682 CB SER A 44 -5.822 -9.524 -6.149 1.00 0.00 C ATOM 683 OG SER A 44 -5.758 -8.564 -5.112 1.00 0.00 O ATOM 0 H SER A 44 -6.337 -11.875 -5.630 1.00 0.00 H new ATOM 0 HA SER A 44 -7.917 -9.536 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.120 -10.332 -5.943 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.514 -9.067 -7.089 1.00 0.00 H new ATOM 0 HG SER A 44 -4.920 -8.061 -5.183 1.00 0.00 H new ATOM 689 N ILE A 45 -8.612 -9.007 -7.962 1.00 0.00 N ATOM 690 CA ILE A 45 -9.146 -8.748 -9.296 1.00 0.00 C ATOM 691 C ILE A 45 -8.468 -7.537 -9.929 1.00 0.00 C ATOM 692 O ILE A 45 -8.664 -7.251 -11.109 1.00 0.00 O ATOM 693 CB ILE A 45 -10.666 -8.502 -9.262 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.010 -7.466 -8.192 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.409 -9.804 -9.008 1.00 0.00 C ATOM 696 CD1 ILE A 45 -11.994 -6.416 -8.652 1.00 0.00 C ATOM 0 H ILE A 45 -8.998 -8.408 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.944 -9.637 -9.893 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.979 -8.114 -10.231 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.421 -7.979 -7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.093 -6.974 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.482 -9.613 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.183 -10.513 -9.804 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.096 -10.221 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.188 -5.718 -7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.578 -5.876 -9.503 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.927 -6.896 -8.948 1.00 0.00 H new ATOM 708 N ASP A 46 -7.667 -6.827 -9.133 1.00 0.00 N ATOM 709 CA ASP A 46 -6.954 -5.646 -9.607 1.00 0.00 C ATOM 710 C ASP A 46 -6.294 -5.912 -10.959 1.00 0.00 C ATOM 711 O ASP A 46 -5.689 -6.961 -11.173 1.00 0.00 O ATOM 712 CB ASP A 46 -5.904 -5.212 -8.583 1.00 0.00 C ATOM 713 CG ASP A 46 -4.839 -6.265 -8.367 1.00 0.00 C ATOM 714 OD1 ASP A 46 -5.154 -7.464 -8.508 1.00 0.00 O ATOM 715 OD2 ASP A 46 -3.688 -5.891 -8.055 1.00 0.00 O ATOM 0 H ASP A 46 -7.497 -7.053 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.678 -4.841 -9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.434 -4.287 -8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.394 -4.995 -7.634 1.00 0.00 H new ATOM 720 N GLY A 47 -6.437 -4.958 -11.871 1.00 0.00 N ATOM 721 CA GLY A 47 -5.874 -5.103 -13.201 1.00 0.00 C ATOM 722 C GLY A 47 -4.362 -5.219 -13.189 1.00 0.00 C ATOM 723 O GLY A 47 -3.752 -5.243 -12.123 1.00 0.00 O ATOM 0 H GLY A 47 -6.935 -4.082 -11.712 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.298 -5.988 -13.676 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.163 -4.246 -13.809 1.00 0.00 H new ATOM 727 N GLY A 48 -3.781 -5.319 -14.390 1.00 0.00 N ATOM 728 CA GLY A 48 -2.333 -5.461 -14.578 1.00 0.00 C ATOM 729 C GLY A 48 -1.480 -5.212 -13.340 1.00 0.00 C ATOM 730 O GLY A 48 -0.523 -5.940 -13.091 1.00 0.00 O ATOM 0 H GLY A 48 -4.306 -5.304 -15.264 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.129 -6.468 -14.941 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.017 -4.770 -15.360 1.00 0.00 H new ATOM 734 N SER A 49 -1.812 -4.188 -12.560 1.00 0.00 N ATOM 735 CA SER A 49 -1.048 -3.874 -11.357 1.00 0.00 C ATOM 736 C SER A 49 -0.871 -5.110 -10.466 1.00 0.00 C ATOM 737 O SER A 49 0.053 -5.171 -9.658 1.00 0.00 O ATOM 738 CB SER A 49 -1.740 -2.763 -10.566 1.00 0.00 C ATOM 739 OG SER A 49 -1.020 -2.448 -9.388 1.00 0.00 O ATOM 0 H SER A 49 -2.600 -3.565 -12.737 1.00 0.00 H new ATOM 0 HA SER A 49 -0.060 -3.536 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.832 -1.873 -11.188 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.751 -3.075 -10.305 1.00 0.00 H new ATOM 0 HG SER A 49 -1.484 -1.734 -8.902 1.00 0.00 H new ATOM 745 N ALA A 50 -1.752 -6.095 -10.623 1.00 0.00 N ATOM 746 CA ALA A 50 -1.670 -7.323 -9.839 1.00 0.00 C ATOM 747 C ALA A 50 -0.488 -8.183 -10.281 1.00 0.00 C ATOM 748 O ALA A 50 -0.021 -9.045 -9.537 1.00 0.00 O ATOM 749 CB ALA A 50 -2.966 -8.114 -9.945 1.00 0.00 C ATOM 0 H ALA A 50 -2.528 -6.066 -11.284 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.515 -7.043 -8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.885 -9.026 -9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.792 -7.510 -9.570 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.150 -8.373 -10.988 1.00 0.00 H new ATOM 755 N LYS A 51 -0.021 -7.950 -11.504 1.00 0.00 N ATOM 756 CA LYS A 51 1.091 -8.712 -12.061 1.00 0.00 C ATOM 757 C LYS A 51 2.406 -8.408 -11.341 1.00 0.00 C ATOM 758 O LYS A 51 3.392 -9.124 -11.515 1.00 0.00 O ATOM 759 CB LYS A 51 1.228 -8.418 -13.554 1.00 0.00 C ATOM 760 CG LYS A 51 0.834 -9.589 -14.436 1.00 0.00 C ATOM 761 CD LYS A 51 -0.065 -9.150 -15.583 1.00 0.00 C ATOM 762 CE LYS A 51 -1.390 -9.896 -15.574 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.538 -8.992 -15.862 1.00 0.00 N ATOM 0 H LYS A 51 -0.397 -7.237 -12.129 1.00 0.00 H new ATOM 0 HA LYS A 51 0.874 -9.770 -11.917 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.608 -7.558 -13.806 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.260 -8.141 -13.769 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.731 -10.061 -14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.319 -10.340 -13.836 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.250 -8.078 -15.511 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.444 -9.323 -16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.362 -10.695 -16.315 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.534 -10.368 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.330 -9.548 -16.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.837 -8.520 -14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.250 -8.276 -16.559 1.00 0.00 H new ATOM 777 N ARG A 52 2.415 -7.359 -10.527 1.00 0.00 N ATOM 778 CA ARG A 52 3.613 -6.984 -9.782 1.00 0.00 C ATOM 779 C ARG A 52 3.478 -7.383 -8.316 1.00 0.00 C ATOM 780 O ARG A 52 4.105 -6.787 -7.444 1.00 0.00 O ATOM 781 CB ARG A 52 3.892 -5.482 -9.898 1.00 0.00 C ATOM 782 CG ARG A 52 2.643 -4.617 -9.905 1.00 0.00 C ATOM 783 CD ARG A 52 2.985 -3.148 -10.092 1.00 0.00 C ATOM 784 NE ARG A 52 3.603 -2.891 -11.391 1.00 0.00 N ATOM 785 CZ ARG A 52 4.245 -1.765 -11.695 1.00 0.00 C ATOM 786 NH1 ARG A 52 4.357 -0.792 -10.800 1.00 0.00 N ATOM 787 NH2 ARG A 52 4.780 -1.613 -12.900 1.00 0.00 N ATOM 0 H ARG A 52 1.610 -6.754 -10.366 1.00 0.00 H new ATOM 0 HA ARG A 52 4.457 -7.520 -10.217 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.528 -5.176 -9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.454 -5.297 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.978 -4.942 -10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.102 -4.749 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.079 -2.550 -9.997 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.662 -2.830 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 52 3.539 -3.616 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.950 -0.904 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.850 0.068 -11.040 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.699 -2.358 -13.592 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.272 -0.751 -13.134 1.00 0.00 H new ATOM 801 N ASP A 53 2.641 -8.391 -8.060 1.00 0.00 N ATOM 802 CA ASP A 53 2.397 -8.888 -6.706 1.00 0.00 C ATOM 803 C ASP A 53 1.699 -7.831 -5.848 1.00 0.00 C ATOM 804 O ASP A 53 1.733 -7.894 -4.619 1.00 0.00 O ATOM 805 CB ASP A 53 3.707 -9.371 -6.054 1.00 0.00 C ATOM 806 CG ASP A 53 4.488 -8.277 -5.340 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.046 -7.836 -4.259 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.550 -7.875 -5.858 1.00 0.00 O ATOM 0 H ASP A 53 2.116 -8.883 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 53 1.727 -9.745 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.475 -10.161 -5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.341 -9.812 -6.823 1.00 0.00 H new ATOM 813 N GLY A 54 1.057 -6.872 -6.505 1.00 0.00 N ATOM 814 CA GLY A 54 0.353 -5.825 -5.788 1.00 0.00 C ATOM 815 C GLY A 54 1.287 -4.929 -5.000 1.00 0.00 C ATOM 816 O GLY A 54 0.855 -4.217 -4.096 1.00 0.00 O ATOM 0 H GLY A 54 1.011 -6.801 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.212 -5.220 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.370 -6.277 -5.109 1.00 0.00 H new ATOM 820 N SER A 55 2.571 -4.965 -5.344 1.00 0.00 N ATOM 821 CA SER A 55 3.564 -4.147 -4.659 1.00 0.00 C ATOM 822 C SER A 55 3.352 -2.669 -4.969 1.00 0.00 C ATOM 823 O SER A 55 3.965 -2.122 -5.885 1.00 0.00 O ATOM 824 CB SER A 55 4.974 -4.568 -5.069 1.00 0.00 C ATOM 825 OG SER A 55 5.380 -5.737 -4.378 1.00 0.00 O ATOM 0 H SER A 55 2.946 -5.550 -6.090 1.00 0.00 H new ATOM 0 HA SER A 55 3.447 -4.298 -3.586 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.005 -4.748 -6.144 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.673 -3.758 -4.861 1.00 0.00 H new ATOM 0 HG SER A 55 4.589 -6.242 -4.097 1.00 0.00 H new ATOM 831 N LEU A 56 2.482 -2.027 -4.196 1.00 0.00 N ATOM 832 CA LEU A 56 2.191 -0.609 -4.386 1.00 0.00 C ATOM 833 C LEU A 56 3.476 0.215 -4.351 1.00 0.00 C ATOM 834 O LEU A 56 3.539 1.308 -4.912 1.00 0.00 O ATOM 835 CB LEU A 56 1.218 -0.113 -3.308 1.00 0.00 C ATOM 836 CG LEU A 56 -0.195 -0.703 -3.370 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.130 0.067 -2.451 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.728 -0.701 -4.798 1.00 0.00 C ATOM 0 H LEU A 56 1.966 -2.465 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 56 1.726 -0.485 -5.364 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.643 -0.336 -2.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.143 0.972 -3.383 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.146 -1.738 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.130 -0.363 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.764 0.006 -1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.167 1.111 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.732 -1.125 -4.812 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.761 0.322 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.073 -1.299 -5.432 1.00 0.00 H new ATOM 850 N GLY A 57 4.497 -0.319 -3.686 1.00 0.00 N ATOM 851 CA GLY A 57 5.766 0.380 -3.591 1.00 0.00 C ATOM 852 C GLY A 57 5.626 1.734 -2.928 1.00 0.00 C ATOM 853 O GLY A 57 4.602 2.021 -2.312 1.00 0.00 O ATOM 0 H GLY A 57 4.468 -1.222 -3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.472 -0.228 -3.026 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.184 0.508 -4.590 1.00 0.00 H new ATOM 857 N TYR A 58 6.657 2.565 -3.045 1.00 0.00 N ATOM 858 CA TYR A 58 6.633 3.891 -2.433 1.00 0.00 C ATOM 859 C TYR A 58 5.602 4.801 -3.089 1.00 0.00 C ATOM 860 O TYR A 58 5.779 5.241 -4.224 1.00 0.00 O ATOM 861 CB TYR A 58 8.007 4.587 -2.492 1.00 0.00 C ATOM 862 CG TYR A 58 9.173 3.679 -2.828 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.505 3.403 -4.148 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.940 3.102 -1.824 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.568 2.576 -4.458 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.005 2.276 -2.125 1.00 0.00 C ATOM 867 CZ TYR A 58 11.315 2.016 -3.444 1.00 0.00 C ATOM 868 OH TYR A 58 12.375 1.192 -3.749 1.00 0.00 O ATOM 0 H TYR A 58 7.514 2.347 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 58 6.362 3.725 -1.390 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.962 5.384 -3.234 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.200 5.059 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.923 3.842 -4.945 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.699 3.303 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 58 10.812 2.370 -5.490 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.592 1.836 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 58 12.797 0.881 -2.921 1.00 0.00 H new ATOM 878 N PHE A 59 4.554 5.122 -2.341 1.00 0.00 N ATOM 879 CA PHE A 59 3.526 6.031 -2.821 1.00 0.00 C ATOM 880 C PHE A 59 3.502 7.255 -1.928 1.00 0.00 C ATOM 881 O PHE A 59 3.931 7.202 -0.778 1.00 0.00 O ATOM 882 CB PHE A 59 2.148 5.380 -2.838 1.00 0.00 C ATOM 883 CG PHE A 59 1.860 4.614 -4.098 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.156 5.159 -5.338 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.288 3.354 -4.044 1.00 0.00 C ATOM 886 CE1 PHE A 59 1.890 4.462 -6.499 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.020 2.651 -5.202 1.00 0.00 C ATOM 888 CZ PHE A 59 1.320 3.206 -6.433 1.00 0.00 C ATOM 0 H PHE A 59 4.395 4.765 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 59 3.767 6.307 -3.848 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.063 4.706 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.389 6.152 -2.711 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.600 6.142 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.049 2.916 -3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.127 4.898 -7.458 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.576 1.668 -5.147 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.109 2.659 -7.340 1.00 0.00 H new ATOM 898 N GLY A 60 3.010 8.351 -2.461 1.00 0.00 N ATOM 899 CA GLY A 60 2.958 9.579 -1.691 1.00 0.00 C ATOM 900 C GLY A 60 1.554 10.148 -1.599 1.00 0.00 C ATOM 901 O GLY A 60 0.594 9.521 -2.048 1.00 0.00 O ATOM 0 H GLY A 60 2.644 8.421 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.337 9.391 -0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.617 10.318 -2.147 1.00 0.00 H new ATOM 905 N ARG A 61 1.435 11.335 -1.017 1.00 0.00 N ATOM 906 CA ARG A 61 0.143 11.986 -0.866 1.00 0.00 C ATOM 907 C ARG A 61 -0.271 12.640 -2.172 1.00 0.00 C ATOM 908 O ARG A 61 -0.120 13.849 -2.350 1.00 0.00 O ATOM 909 CB ARG A 61 0.197 13.030 0.251 1.00 0.00 C ATOM 910 CG ARG A 61 1.384 13.974 0.146 1.00 0.00 C ATOM 911 CD ARG A 61 2.510 13.561 1.081 1.00 0.00 C ATOM 912 NE ARG A 61 3.160 14.714 1.698 1.00 0.00 N ATOM 913 CZ ARG A 61 2.659 15.380 2.738 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.505 15.010 3.277 1.00 0.00 N ATOM 915 NH2 ARG A 61 3.317 16.416 3.240 1.00 0.00 N ATOM 0 H ARG A 61 2.221 11.866 -0.642 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.596 11.230 -0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.723 13.614 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.234 12.519 1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.749 13.988 -0.881 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.065 14.989 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.114 12.909 1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.249 12.983 0.526 1.00 0.00 H new ATOM 0 HE ARG A 61 4.050 15.028 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.997 14.212 2.896 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.126 15.523 4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.206 16.703 2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.934 16.926 4.036 1.00 0.00 H new ATOM 929 N GLY A 62 -0.794 11.833 -3.084 1.00 0.00 N ATOM 930 CA GLY A 62 -1.221 12.353 -4.362 1.00 0.00 C ATOM 931 C GLY A 62 -1.041 11.360 -5.498 1.00 0.00 C ATOM 932 O GLY A 62 -0.699 11.746 -6.615 1.00 0.00 O ATOM 0 H GLY A 62 -0.929 10.830 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.271 12.638 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.657 13.259 -4.586 1.00 0.00 H new ATOM 936 N LYS A 63 -1.270 10.082 -5.213 1.00 0.00 N ATOM 937 CA LYS A 63 -1.129 9.038 -6.222 1.00 0.00 C ATOM 938 C LYS A 63 -2.293 8.053 -6.161 1.00 0.00 C ATOM 939 O LYS A 63 -2.897 7.726 -7.183 1.00 0.00 O ATOM 940 CB LYS A 63 0.194 8.294 -6.035 1.00 0.00 C ATOM 941 CG LYS A 63 1.358 8.926 -6.781 1.00 0.00 C ATOM 942 CD LYS A 63 2.110 7.903 -7.619 1.00 0.00 C ATOM 943 CE LYS A 63 1.521 7.784 -9.016 1.00 0.00 C ATOM 944 NZ LYS A 63 2.420 8.369 -10.049 1.00 0.00 N ATOM 0 H LYS A 63 -1.554 9.745 -4.293 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.136 9.516 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.432 8.255 -4.972 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.073 7.265 -6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.988 9.723 -7.426 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.042 9.385 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.159 8.189 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.077 6.932 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.339 6.734 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.555 8.289 -9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.983 8.268 -10.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.573 9.377 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.333 7.871 -10.037 1.00 0.00 H new ATOM 958 N MET A 64 -2.601 7.579 -4.958 1.00 0.00 N ATOM 959 CA MET A 64 -3.693 6.627 -4.766 1.00 0.00 C ATOM 960 C MET A 64 -4.981 7.342 -4.367 1.00 0.00 C ATOM 961 O MET A 64 -4.973 8.540 -4.082 1.00 0.00 O ATOM 962 CB MET A 64 -3.316 5.598 -3.699 1.00 0.00 C ATOM 963 CG MET A 64 -1.907 5.048 -3.855 1.00 0.00 C ATOM 964 SD MET A 64 -1.459 3.902 -2.536 1.00 0.00 S ATOM 965 CE MET A 64 -1.160 5.040 -1.185 1.00 0.00 C ATOM 0 H MET A 64 -2.111 7.837 -4.101 1.00 0.00 H new ATOM 0 HA MET A 64 -3.864 6.115 -5.713 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.411 6.056 -2.715 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.026 4.772 -3.736 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.824 4.540 -4.816 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.198 5.875 -3.869 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.160 4.874 -0.784 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.239 6.065 -1.548 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.898 4.875 -0.400 1.00 0.00 H new ATOM 975 N VAL A 65 -6.084 6.600 -4.347 1.00 0.00 N ATOM 976 CA VAL A 65 -7.377 7.166 -3.980 1.00 0.00 C ATOM 977 C VAL A 65 -7.339 7.744 -2.566 1.00 0.00 C ATOM 978 O VAL A 65 -6.473 7.390 -1.764 1.00 0.00 O ATOM 979 CB VAL A 65 -8.502 6.114 -4.078 1.00 0.00 C ATOM 980 CG1 VAL A 65 -8.631 5.597 -5.504 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.248 4.970 -3.110 1.00 0.00 C ATOM 0 H VAL A 65 -6.108 5.607 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.589 7.968 -4.688 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.443 6.590 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.429 4.856 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.865 6.426 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.691 5.138 -5.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.051 4.238 -3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.297 4.494 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.213 5.356 -2.091 1.00 0.00 H new ATOM 991 N LYS A 66 -8.271 8.644 -2.271 1.00 0.00 N ATOM 992 CA LYS A 66 -8.337 9.288 -0.961 1.00 0.00 C ATOM 993 C LYS A 66 -8.559 8.285 0.178 1.00 0.00 C ATOM 994 O LYS A 66 -7.865 8.338 1.193 1.00 0.00 O ATOM 995 CB LYS A 66 -9.449 10.339 -0.948 1.00 0.00 C ATOM 996 CG LYS A 66 -9.004 11.688 -0.405 1.00 0.00 C ATOM 997 CD LYS A 66 -8.385 12.549 -1.494 1.00 0.00 C ATOM 998 CE LYS A 66 -8.896 13.979 -1.432 1.00 0.00 C ATOM 999 NZ LYS A 66 -8.255 14.753 -0.333 1.00 0.00 N ATOM 0 H LYS A 66 -8.995 8.946 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.371 9.764 -0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.825 10.471 -1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.279 9.970 -0.346 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.859 12.207 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.281 11.538 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.300 12.545 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.613 12.122 -2.471 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -8.704 14.474 -2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.976 13.972 -1.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.631 15.722 -0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.459 14.296 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.226 14.782 -0.483 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.530 7.364 0.041 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.816 6.380 1.084 1.00 0.00 C ATOM 1015 C PRO A 67 -8.642 5.444 1.315 1.00 0.00 C ATOM 1016 O PRO A 67 -8.310 5.107 2.451 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.019 5.594 0.555 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.117 5.909 -0.899 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.418 7.220 -1.124 1.00 0.00 C ATOM 0 HA PRO A 67 -10.009 6.862 2.042 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -10.884 4.524 0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.931 5.881 1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.655 5.121 -1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.160 5.972 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.853 7.215 -2.056 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.129 8.044 -1.187 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.019 5.031 0.224 1.00 0.00 N ATOM 1028 CA PHE A 68 -6.874 4.129 0.294 1.00 0.00 C ATOM 1029 C PHE A 68 -5.628 4.870 0.763 1.00 0.00 C ATOM 1030 O PHE A 68 -4.967 4.453 1.715 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.617 3.478 -1.065 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.793 2.226 -0.990 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.428 2.293 -0.765 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.383 0.982 -1.150 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.666 1.140 -0.699 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.627 -0.172 -1.085 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.266 -0.093 -0.860 1.00 0.00 C ATOM 0 H PHE A 68 -8.284 5.304 -0.722 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.106 3.348 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.574 3.245 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.113 4.196 -1.712 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.954 3.255 -0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.446 0.914 -1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.603 1.204 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.099 -1.135 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.673 -0.994 -0.810 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.314 5.979 0.096 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.146 6.777 0.451 1.00 0.00 C ATOM 1049 C GLU A 69 -4.198 7.182 1.919 1.00 0.00 C ATOM 1050 O GLU A 69 -3.165 7.310 2.579 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.066 8.024 -0.431 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.685 8.659 -0.463 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.537 9.786 0.541 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.499 10.566 0.703 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.460 9.888 1.165 1.00 0.00 O ATOM 0 H GLU A 69 -5.851 6.343 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.256 6.170 0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.359 7.760 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.787 8.759 -0.073 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.934 7.896 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.488 9.042 -1.465 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.411 7.378 2.425 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.605 7.765 3.817 1.00 0.00 C ATOM 1064 C ASP A 70 -5.149 6.652 4.756 1.00 0.00 C ATOM 1065 O ASP A 70 -4.343 6.879 5.660 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.077 8.093 4.074 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.314 8.625 5.474 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.971 9.798 5.729 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.844 7.869 6.315 1.00 0.00 O ATOM 0 H ASP A 70 -6.274 7.275 1.892 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.002 8.652 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.415 8.830 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.678 7.197 3.922 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.668 5.449 4.533 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.316 4.298 5.356 1.00 0.00 C ATOM 1076 C ALA A 71 -3.920 3.773 5.020 1.00 0.00 C ATOM 1077 O ALA A 71 -3.387 2.914 5.723 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.348 3.193 5.183 1.00 0.00 C ATOM 0 H ALA A 71 -6.335 5.246 3.788 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.309 4.623 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.074 2.339 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.329 3.561 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.381 2.887 4.137 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.334 4.288 3.943 1.00 0.00 N ATOM 1085 CA ALA A 72 -2.007 3.859 3.519 1.00 0.00 C ATOM 1086 C ALA A 72 -0.945 4.241 4.545 1.00 0.00 C ATOM 1087 O ALA A 72 -0.100 3.424 4.909 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.673 4.458 2.161 1.00 0.00 C ATOM 0 H ALA A 72 -3.757 5.002 3.350 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.013 2.772 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.680 4.131 1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.407 4.127 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.692 5.546 2.228 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.990 5.486 5.004 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.028 5.975 5.986 1.00 0.00 C ATOM 1096 C PHE A 73 -0.557 5.815 7.410 1.00 0.00 C ATOM 1097 O PHE A 73 -0.037 6.425 8.344 1.00 0.00 O ATOM 1098 CB PHE A 73 0.299 7.444 5.718 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.920 8.294 5.512 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.718 8.655 6.585 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.272 8.727 4.245 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.844 9.432 6.399 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.398 9.504 4.051 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.185 9.857 5.130 1.00 0.00 C ATOM 0 H PHE A 73 -1.682 6.176 4.712 1.00 0.00 H new ATOM 0 HA PHE A 73 0.879 5.378 5.890 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.873 7.840 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.935 7.513 4.835 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.456 8.325 7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.659 8.454 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.457 9.707 7.244 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.662 9.835 3.057 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.066 10.464 4.981 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.590 4.993 7.573 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.179 4.762 8.885 1.00 0.00 C ATOM 1116 C ARG A 74 -1.648 3.473 9.501 1.00 0.00 C ATOM 1117 O ARG A 74 -1.544 3.353 10.721 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.704 4.698 8.781 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.421 5.207 10.020 1.00 0.00 C ATOM 1120 CD ARG A 74 -4.784 6.678 9.891 1.00 0.00 C ATOM 1121 NE ARG A 74 -3.706 7.549 10.349 1.00 0.00 N ATOM 1122 CZ ARG A 74 -3.736 8.877 10.252 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -4.786 9.487 9.716 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -2.712 9.597 10.692 1.00 0.00 N ATOM 0 H ARG A 74 -2.035 4.477 6.813 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.900 5.595 9.530 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.026 5.283 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.004 3.667 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.326 4.621 10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.785 5.064 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.016 6.904 8.850 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.685 6.881 10.470 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.883 7.116 10.767 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.576 8.938 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.803 10.504 9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -1.902 9.133 11.104 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -2.734 10.614 10.618 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.314 2.509 8.649 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.795 1.229 9.110 1.00 0.00 C ATOM 1140 C LEU A 75 0.726 1.195 9.041 1.00 0.00 C ATOM 1141 O LEU A 75 1.312 0.317 8.407 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.381 0.085 8.284 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.886 -0.130 8.424 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.228 -1.555 8.050 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.358 0.169 9.841 1.00 0.00 C ATOM 0 H LEU A 75 -1.394 2.591 7.635 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.093 1.104 10.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.155 0.267 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.873 -0.838 8.564 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.398 0.558 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.302 -1.709 8.150 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.929 -1.742 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.700 -2.242 8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.434 0.007 9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.847 -0.491 10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.132 1.206 10.089 1.00 0.00 H new ATOM 1157 N GLN A 76 1.359 2.145 9.711 1.00 0.00 N ATOM 1158 CA GLN A 76 2.812 2.214 9.743 1.00 0.00 C ATOM 1159 C GLN A 76 3.371 0.977 10.433 1.00 0.00 C ATOM 1160 O GLN A 76 4.510 0.576 10.194 1.00 0.00 O ATOM 1161 CB GLN A 76 3.273 3.481 10.463 1.00 0.00 C ATOM 1162 CG GLN A 76 3.202 4.726 9.595 1.00 0.00 C ATOM 1163 CD GLN A 76 4.155 5.814 10.050 1.00 0.00 C ATOM 1164 OE1 GLN A 76 4.961 5.608 10.958 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.066 6.980 9.421 1.00 0.00 N ATOM 0 H GLN A 76 0.889 2.880 10.240 1.00 0.00 H new ATOM 0 HA GLN A 76 3.186 2.249 8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.658 3.630 11.351 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.299 3.343 10.805 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.430 4.458 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.183 5.114 9.606 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.383 7.106 8.674 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.681 7.750 9.685 1.00 0.00 H new ATOM 1174 N VAL A 77 2.542 0.362 11.272 1.00 0.00 N ATOM 1175 CA VAL A 77 2.927 -0.848 11.982 1.00 0.00 C ATOM 1176 C VAL A 77 3.226 -1.961 10.984 1.00 0.00 C ATOM 1177 O VAL A 77 4.001 -2.874 11.264 1.00 0.00 O ATOM 1178 CB VAL A 77 1.809 -1.311 12.944 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.460 -1.293 12.242 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.104 -2.698 13.504 1.00 0.00 C ATOM 0 H VAL A 77 1.596 0.685 11.475 1.00 0.00 H new ATOM 0 HA VAL A 77 3.819 -0.625 12.568 1.00 0.00 H new ATOM 0 HB VAL A 77 1.774 -0.613 13.780 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.315 -1.622 12.934 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.239 -0.280 11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.488 -1.964 11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.301 -2.997 14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.176 -3.413 12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.047 -2.677 14.051 1.00 0.00 H new ATOM 1190 N GLY A 78 2.597 -1.873 9.816 1.00 0.00 N ATOM 1191 CA GLY A 78 2.796 -2.870 8.791 1.00 0.00 C ATOM 1192 C GLY A 78 1.799 -3.985 8.887 1.00 0.00 C ATOM 1193 O GLY A 78 2.157 -5.135 9.141 1.00 0.00 O ATOM 0 H GLY A 78 1.951 -1.124 9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.721 -2.401 7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.804 -3.277 8.873 1.00 0.00 H new ATOM 1197 N GLU A 79 0.546 -3.642 8.708 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.517 -4.615 8.797 1.00 0.00 C ATOM 1199 C GLU A 79 -1.568 -4.353 7.743 1.00 0.00 C ATOM 1200 O GLU A 79 -1.491 -3.364 7.013 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.139 -4.533 10.180 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.804 -5.815 10.640 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.304 -5.671 10.809 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.744 -5.308 11.920 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.038 -5.920 9.830 1.00 0.00 O ATOM 0 H GLU A 79 0.236 -2.693 8.499 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.109 -5.612 8.629 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.366 -4.260 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.877 -3.731 10.187 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.599 -6.605 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.365 -6.127 11.587 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.564 -5.219 7.674 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.628 -5.026 6.717 1.00 0.00 C ATOM 1214 C VAL A 80 -4.604 -3.999 7.269 1.00 0.00 C ATOM 1215 O VAL A 80 -4.770 -3.890 8.484 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.373 -6.333 6.382 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.459 -6.071 5.347 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.399 -7.391 5.884 1.00 0.00 C ATOM 0 H VAL A 80 -2.654 -6.048 8.261 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.181 -4.674 5.787 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.845 -6.707 7.291 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.977 -7.003 5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.171 -5.347 5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.007 -5.676 4.437 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.943 -8.307 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.898 -7.030 4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.657 -7.595 6.656 1.00 0.00 H new ATOM 1228 N SER A 81 -5.221 -3.223 6.391 1.00 0.00 N ATOM 1229 CA SER A 81 -6.138 -2.184 6.834 1.00 0.00 C ATOM 1230 C SER A 81 -7.590 -2.576 6.612 1.00 0.00 C ATOM 1231 O SER A 81 -7.901 -3.498 5.860 1.00 0.00 O ATOM 1232 CB SER A 81 -5.838 -0.873 6.108 1.00 0.00 C ATOM 1233 OG SER A 81 -6.891 0.060 6.282 1.00 0.00 O ATOM 0 H SER A 81 -5.106 -3.291 5.380 1.00 0.00 H new ATOM 0 HA SER A 81 -5.989 -2.052 7.906 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.907 -0.450 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.692 -1.067 5.045 1.00 0.00 H new ATOM 0 HG SER A 81 -7.154 0.422 5.410 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.468 -1.857 7.299 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.901 -2.092 7.231 1.00 0.00 C ATOM 1241 C GLU A 82 -10.389 -2.156 5.779 1.00 0.00 C ATOM 1242 O GLU A 82 -9.697 -1.725 4.852 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.620 -0.974 7.992 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.501 0.370 7.308 1.00 0.00 C ATOM 1245 CD GLU A 82 -11.849 0.990 6.991 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -12.822 0.696 7.716 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -11.930 1.767 6.016 1.00 0.00 O ATOM 0 H GLU A 82 -8.204 -1.093 7.920 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.126 -3.056 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.674 -1.231 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.208 -0.902 8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.935 1.049 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.934 0.254 6.385 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.596 -2.696 5.561 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.174 -2.818 4.226 1.00 0.00 C ATOM 1256 C PRO A 83 -12.471 -1.464 3.599 1.00 0.00 C ATOM 1257 O PRO A 83 -13.455 -0.810 3.946 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.473 -3.591 4.457 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.805 -3.364 5.890 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.491 -3.225 6.601 1.00 0.00 C ATOM 0 HA PRO A 83 -11.489 -3.312 3.536 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.269 -3.230 3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.344 -4.652 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.412 -2.467 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.381 -4.196 6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.564 -2.547 7.451 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.139 -4.182 6.986 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.622 -1.053 2.669 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.803 0.220 1.987 1.00 0.00 C ATOM 1270 C VAL A 84 -12.398 0.002 0.602 1.00 0.00 C ATOM 1271 O VAL A 84 -11.689 -0.339 -0.344 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.471 0.984 1.835 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.672 2.251 1.020 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.878 1.311 3.195 1.00 0.00 C ATOM 0 H VAL A 84 -10.802 -1.581 2.370 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.481 0.814 2.600 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.769 0.341 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.722 2.776 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.045 1.991 0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.394 2.896 1.522 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.940 1.849 3.063 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.576 1.931 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.692 0.387 3.743 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.705 0.202 0.492 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.395 0.027 -0.776 1.00 0.00 C ATOM 1286 C LYS A 85 -14.532 1.354 -1.513 1.00 0.00 C ATOM 1287 O LYS A 85 -15.210 2.270 -1.050 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.773 -0.605 -0.551 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.805 0.354 0.025 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.613 1.022 -1.075 1.00 0.00 C ATOM 1291 CE LYS A 85 -19.020 0.455 -1.162 1.00 0.00 C ATOM 1292 NZ LYS A 85 -19.029 -1.031 -1.046 1.00 0.00 N ATOM 0 H LYS A 85 -14.307 0.485 1.266 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.799 -0.643 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.143 -0.994 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -15.666 -1.456 0.122 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.475 -0.188 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.304 1.114 0.624 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.664 2.095 -0.889 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -17.107 0.888 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.634 0.885 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -19.471 0.748 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.868 -1.412 -1.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -18.171 -1.419 -1.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -19.054 -1.301 -0.042 1.00 0.00 H new ATOM 1306 N SER A 86 -13.881 1.447 -2.665 1.00 0.00 N ATOM 1307 CA SER A 86 -13.931 2.657 -3.473 1.00 0.00 C ATOM 1308 C SER A 86 -14.824 2.446 -4.689 1.00 0.00 C ATOM 1309 O SER A 86 -15.442 1.391 -4.839 1.00 0.00 O ATOM 1310 CB SER A 86 -12.521 3.056 -3.918 1.00 0.00 C ATOM 1311 OG SER A 86 -11.828 3.727 -2.880 1.00 0.00 O ATOM 0 H SER A 86 -13.312 0.698 -3.061 1.00 0.00 H new ATOM 0 HA SER A 86 -14.349 3.461 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.965 2.167 -4.215 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.582 3.701 -4.795 1.00 0.00 H new ATOM 0 HG SER A 86 -11.019 3.225 -2.649 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.885 3.447 -5.559 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.701 3.359 -6.765 1.00 0.00 C ATOM 1319 C GLU A 87 -15.296 2.154 -7.612 1.00 0.00 C ATOM 1320 O GLU A 87 -16.064 1.689 -8.455 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.573 4.643 -7.587 1.00 0.00 C ATOM 1322 CG GLU A 87 -14.141 5.126 -7.741 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.811 6.277 -6.810 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -14.731 7.054 -6.478 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.632 6.402 -6.415 1.00 0.00 O ATOM 0 H GLU A 87 -14.381 4.327 -5.453 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.740 3.232 -6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.999 4.475 -8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -16.163 5.428 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -13.459 4.298 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.976 5.438 -8.772 1.00 0.00 H new ATOM 1332 N PHE A 88 -14.082 1.653 -7.388 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.575 0.508 -8.133 1.00 0.00 C ATOM 1334 C PHE A 88 -13.962 -0.810 -7.463 1.00 0.00 C ATOM 1335 O PHE A 88 -14.303 -1.780 -8.139 1.00 0.00 O ATOM 1336 CB PHE A 88 -12.053 0.601 -8.266 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.602 1.231 -9.553 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.655 0.523 -10.743 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -11.123 2.531 -9.572 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -11.239 1.099 -11.927 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.705 3.113 -10.754 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.763 2.396 -11.933 1.00 0.00 C ATOM 0 H PHE A 88 -13.433 2.025 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 88 -14.027 0.526 -9.125 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.658 1.178 -7.430 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.628 -0.400 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.026 -0.491 -10.744 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.076 3.096 -8.653 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.286 0.536 -12.848 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.334 4.127 -10.756 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.437 2.848 -12.858 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.901 -0.843 -6.133 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.246 -2.055 -5.408 1.00 0.00 C ATOM 1354 C GLY A 89 -13.672 -2.090 -4.010 1.00 0.00 C ATOM 1355 O GLY A 89 -13.119 -1.099 -3.529 1.00 0.00 O ATOM 0 H GLY A 89 -13.620 -0.056 -5.547 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.331 -2.142 -5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.886 -2.920 -5.965 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.803 -3.238 -3.360 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.300 -3.420 -2.011 1.00 0.00 C ATOM 1361 C TYR A 90 -11.781 -3.562 -2.034 1.00 0.00 C ATOM 1362 O TYR A 90 -11.246 -4.567 -2.502 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.953 -4.655 -1.395 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.952 -4.337 -0.303 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.174 -3.748 -0.607 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.678 -4.629 1.027 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.092 -3.457 0.385 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.593 -4.343 2.024 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.797 -3.758 1.698 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.709 -3.470 2.687 1.00 0.00 O ATOM 0 H TYR A 90 -14.258 -4.062 -3.752 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.548 -2.549 -1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.455 -5.219 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.175 -5.300 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.410 -3.514 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.735 -5.087 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.036 -2.996 0.133 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.365 -4.577 3.053 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.348 -3.746 3.555 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.091 -2.532 -1.552 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.633 -2.521 -1.544 1.00 0.00 C ATOM 1382 C HIS A 91 -9.056 -2.989 -0.211 1.00 0.00 C ATOM 1383 O HIS A 91 -9.769 -3.129 0.782 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.123 -1.111 -1.851 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.384 -0.672 -3.259 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.645 -0.392 -3.740 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.534 -0.460 -4.292 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.560 -0.028 -5.008 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.291 -0.061 -5.366 1.00 0.00 N ATOM 0 H HIS A 91 -11.520 -1.693 -1.161 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.301 -3.220 -2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.595 -0.406 -1.166 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.051 -1.072 -1.660 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.509 -0.456 -3.202 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.461 -0.582 -4.274 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.389 0.249 -5.643 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.744 -3.212 -0.211 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.017 -3.646 0.976 1.00 0.00 C ATOM 1400 C VAL A 92 -5.603 -3.077 0.946 1.00 0.00 C ATOM 1401 O VAL A 92 -5.069 -2.803 -0.129 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.945 -5.182 1.069 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.375 -5.609 2.413 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.319 -5.795 0.846 1.00 0.00 C ATOM 0 H VAL A 92 -7.155 -3.096 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.554 -3.277 1.850 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.279 -5.545 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.332 -6.697 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.371 -5.200 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.013 -5.236 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.249 -6.881 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.009 -5.427 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.685 -5.518 -0.142 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.999 -2.880 2.115 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.650 -2.320 2.174 1.00 0.00 C ATOM 1416 C ILE A 93 -2.741 -3.099 3.122 1.00 0.00 C ATOM 1417 O ILE A 93 -3.027 -3.219 4.310 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.670 -0.840 2.618 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.065 -0.235 2.419 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.622 -0.045 1.851 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.150 1.234 2.778 1.00 0.00 C ATOM 0 H ILE A 93 -5.414 -3.096 3.022 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.253 -2.395 1.162 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.430 -0.793 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.361 -0.363 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.781 -0.790 3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.647 0.996 2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.634 -0.462 2.046 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.834 -0.099 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.166 1.591 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.886 1.368 3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.459 1.802 2.154 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.632 -3.600 2.584 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.657 -4.344 3.375 1.00 0.00 C ATOM 1435 C LYS A 94 0.745 -3.777 3.162 1.00 0.00 C ATOM 1436 O LYS A 94 1.326 -3.922 2.090 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.694 -5.831 3.012 1.00 0.00 C ATOM 1438 CG LYS A 94 0.368 -6.659 3.717 1.00 0.00 C ATOM 1439 CD LYS A 94 0.297 -6.490 5.226 1.00 0.00 C ATOM 1440 CE LYS A 94 0.997 -7.627 5.951 1.00 0.00 C ATOM 1441 NZ LYS A 94 0.218 -8.100 7.129 1.00 0.00 N ATOM 0 H LYS A 94 -1.386 -3.503 1.599 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.916 -4.241 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.677 -6.232 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.568 -5.936 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.240 -7.711 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.356 -6.363 3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.755 -5.542 5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.746 -6.446 5.539 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.151 -8.457 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.983 -7.297 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.821 -8.076 7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.605 -7.481 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.106 -9.074 6.962 1.00 0.00 H new ATOM 1455 N ARG A 95 1.275 -3.115 4.182 1.00 0.00 N ATOM 1456 CA ARG A 95 2.593 -2.496 4.102 1.00 0.00 C ATOM 1457 C ARG A 95 3.687 -3.492 3.743 1.00 0.00 C ATOM 1458 O ARG A 95 3.725 -4.620 4.237 1.00 0.00 O ATOM 1459 CB ARG A 95 2.940 -1.823 5.430 1.00 0.00 C ATOM 1460 CG ARG A 95 4.062 -0.802 5.325 1.00 0.00 C ATOM 1461 CD ARG A 95 4.223 -0.015 6.617 1.00 0.00 C ATOM 1462 NE ARG A 95 4.253 1.426 6.381 1.00 0.00 N ATOM 1463 CZ ARG A 95 5.270 2.063 5.803 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.341 1.388 5.399 1.00 0.00 N ATOM 1465 NH2 ARG A 95 5.217 3.376 5.628 1.00 0.00 N ATOM 0 H ARG A 95 0.809 -2.992 5.081 1.00 0.00 H new ATOM 0 HA ARG A 95 2.544 -1.755 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.049 -1.331 5.821 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.224 -2.589 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.997 -1.310 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.855 -0.116 4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 95 3.401 -0.255 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.144 -0.320 7.115 1.00 0.00 H new ATOM 0 HE ARG A 95 3.447 1.977 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.387 0.378 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.117 1.880 4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.397 3.899 5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.996 3.863 5.185 1.00 0.00 H new ATOM 1479 N LEU A 96 4.582 -3.034 2.875 1.00 0.00 N ATOM 1480 CA LEU A 96 5.707 -3.803 2.407 1.00 0.00 C ATOM 1481 C LEU A 96 6.750 -2.863 1.798 1.00 0.00 C ATOM 1482 O LEU A 96 6.494 -2.192 0.798 1.00 0.00 O ATOM 1483 CB LEU A 96 5.232 -4.831 1.375 1.00 0.00 C ATOM 1484 CG LEU A 96 5.462 -4.466 -0.099 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.917 -4.700 -0.488 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.530 -5.259 -1.002 1.00 0.00 C ATOM 0 H LEU A 96 4.536 -2.097 2.474 1.00 0.00 H new ATOM 0 HA LEU A 96 6.164 -4.336 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.735 -5.777 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.165 -4.999 1.524 1.00 0.00 H new ATOM 0 HG LEU A 96 5.239 -3.407 -0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.061 -4.436 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.564 -4.081 0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.169 -5.750 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.710 -4.985 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.716 -6.325 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.495 -5.036 -0.742 1.00 0.00 H new ATOM 1498 N GLY A 97 7.921 -2.815 2.405 1.00 0.00 N ATOM 1499 CA GLY A 97 8.979 -1.960 1.906 1.00 0.00 C ATOM 1500 C GLY A 97 10.354 -2.405 2.365 1.00 0.00 C ATOM 1501 O GLY A 97 11.002 -3.183 1.632 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.783 -1.975 3.456 1.00 0.00 O ATOM 0 H GLY A 97 8.162 -3.353 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.949 -1.950 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.802 -0.937 2.239 1.00 0.00 H new TER 1506 GLY A 97