USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 705 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 31 LYS NZ :NH3+ -115:sc= 0.376 (180deg=0.0443) USER MOD Set 1.2: A 67 TYR OH : rot 113:sc= 0.0775 USER MOD Single : A 1 GLY N :NH3+ 168:sc= -0.0314 (180deg=-0.164) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 33:sc= 0.187 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0618 K(o=-0.062,f=-2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -168:sc= 0 (180deg=-0.269) USER MOD Single : A 23 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 169:sc=-0.00216 (180deg=-0.078) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -15:sc= -0.986 USER MOD Single : A 37 THR OG1 : rot 65:sc= 0.478 USER MOD Single : A 38 GLN : amide:sc= -0.0874 K(o=-0.087,f=-0.78) USER MOD Single : A 39 MET CE :methyl -164:sc= -0.238 (180deg=-1.26) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.158 (180deg=-0.592) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 169:sc= -2.62 (180deg=-3.03!) USER MOD Single : A 60 LYS NZ :NH3+ 143:sc= -0.261 (180deg=-1.8!) USER MOD Single : A 61 ASN : amide:sc= 0.12 K(o=0.12,f=-3.2!) USER MOD Single : A 66 MET CE :methyl 146:sc= -0.75 (180deg=-4.97!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.816 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.5!) USER MOD Single : A 79 LYS NZ :NH3+ -156:sc= 1.06 (180deg=0.698) USER MOD Single : A 82 ASN : amide:sc= -1.62 X(o=-1.6,f=-2) USER MOD Single : A 85 CYS SG : rot 62:sc= 1.01 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.281 21.624 4.662 1.00 0.00 N ATOM 2 CA GLY A 1 13.747 22.796 3.944 1.00 0.00 C ATOM 3 C GLY A 1 15.259 22.908 3.936 1.00 0.00 C ATOM 4 O GLY A 1 15.806 24.008 3.865 1.00 0.00 O ATOM 0 H1 GLY A 1 12.255 21.696 4.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.489 20.770 4.105 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.765 21.565 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.383 22.758 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.322 23.690 4.400 1.00 0.00 H new ATOM 8 N SER A 2 15.935 21.767 4.012 1.00 0.00 N ATOM 9 CA SER A 2 17.393 21.742 4.020 1.00 0.00 C ATOM 10 C SER A 2 17.945 21.785 2.598 1.00 0.00 C ATOM 11 O SER A 2 17.294 21.335 1.654 1.00 0.00 O ATOM 12 CB SER A 2 17.899 20.489 4.737 1.00 0.00 C ATOM 13 OG SER A 2 17.724 20.598 6.139 1.00 0.00 O ATOM 0 H SER A 2 15.497 20.848 4.069 1.00 0.00 H new ATOM 0 HA SER A 2 17.744 22.625 4.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.364 19.614 4.368 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.954 20.337 4.510 1.00 0.00 H new ATOM 0 HG SER A 2 18.054 19.784 6.574 1.00 0.00 H new ATOM 19 N SER A 3 19.148 22.330 2.453 1.00 0.00 N ATOM 20 CA SER A 3 19.787 22.436 1.146 1.00 0.00 C ATOM 21 C SER A 3 21.025 21.547 1.072 1.00 0.00 C ATOM 22 O SER A 3 21.569 21.136 2.096 1.00 0.00 O ATOM 23 CB SER A 3 20.171 23.889 0.859 1.00 0.00 C ATOM 24 OG SER A 3 19.026 24.723 0.833 1.00 0.00 O ATOM 0 H SER A 3 19.700 22.705 3.224 1.00 0.00 H new ATOM 0 HA SER A 3 19.074 22.100 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.865 24.242 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.690 23.949 -0.097 1.00 0.00 H new ATOM 0 HG SER A 3 19.298 25.646 0.650 1.00 0.00 H new ATOM 30 N GLY A 4 21.463 21.254 -0.148 1.00 0.00 N ATOM 31 CA GLY A 4 22.633 20.415 -0.334 1.00 0.00 C ATOM 32 C GLY A 4 22.285 19.051 -0.897 1.00 0.00 C ATOM 33 O GLY A 4 22.837 18.633 -1.915 1.00 0.00 O ATOM 0 H GLY A 4 21.029 21.582 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.331 20.914 -1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.143 20.291 0.621 1.00 0.00 H new ATOM 37 N SER A 5 21.368 18.355 -0.233 1.00 0.00 N ATOM 38 CA SER A 5 20.952 17.028 -0.669 1.00 0.00 C ATOM 39 C SER A 5 19.887 17.123 -1.758 1.00 0.00 C ATOM 40 O SER A 5 18.827 17.714 -1.555 1.00 0.00 O ATOM 41 CB SER A 5 20.414 16.223 0.515 1.00 0.00 C ATOM 42 OG SER A 5 20.517 14.830 0.275 1.00 0.00 O ATOM 0 H SER A 5 20.899 18.688 0.609 1.00 0.00 H new ATOM 0 HA SER A 5 21.824 16.519 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.969 16.482 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.372 16.488 0.695 1.00 0.00 H new ATOM 0 HG SER A 5 20.168 14.338 1.048 1.00 0.00 H new ATOM 48 N SER A 6 20.179 16.538 -2.915 1.00 0.00 N ATOM 49 CA SER A 6 19.250 16.560 -4.039 1.00 0.00 C ATOM 50 C SER A 6 19.412 15.313 -4.903 1.00 0.00 C ATOM 51 O SER A 6 20.463 15.093 -5.504 1.00 0.00 O ATOM 52 CB SER A 6 19.471 17.814 -4.887 1.00 0.00 C ATOM 53 OG SER A 6 20.839 17.969 -5.221 1.00 0.00 O ATOM 0 H SER A 6 21.052 16.043 -3.099 1.00 0.00 H new ATOM 0 HA SER A 6 18.236 16.575 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.876 17.750 -5.798 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.125 18.692 -4.341 1.00 0.00 H new ATOM 0 HG SER A 6 21.252 17.087 -5.326 1.00 0.00 H new ATOM 59 N GLY A 7 18.363 14.499 -4.959 1.00 0.00 N ATOM 60 CA GLY A 7 18.408 13.283 -5.751 1.00 0.00 C ATOM 61 C GLY A 7 18.428 12.033 -4.894 1.00 0.00 C ATOM 62 O GLY A 7 19.432 11.729 -4.252 1.00 0.00 O ATOM 0 H GLY A 7 17.482 14.659 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.543 13.252 -6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.294 13.299 -6.385 1.00 0.00 H new ATOM 66 N GLY A 8 17.314 11.307 -4.883 1.00 0.00 N ATOM 67 CA GLY A 8 17.228 10.093 -4.094 1.00 0.00 C ATOM 68 C GLY A 8 17.926 8.921 -4.755 1.00 0.00 C ATOM 69 O GLY A 8 17.903 8.784 -5.979 1.00 0.00 O ATOM 0 H GLY A 8 16.470 11.538 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 8 17.670 10.269 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.180 9.843 -3.931 1.00 0.00 H new ATOM 73 N THR A 9 18.550 8.071 -3.945 1.00 0.00 N ATOM 74 CA THR A 9 19.260 6.907 -4.458 1.00 0.00 C ATOM 75 C THR A 9 19.284 5.781 -3.431 1.00 0.00 C ATOM 76 O THR A 9 19.621 5.996 -2.267 1.00 0.00 O ATOM 77 CB THR A 9 20.707 7.259 -4.851 1.00 0.00 C ATOM 78 OG1 THR A 9 21.400 6.081 -5.278 1.00 0.00 O ATOM 79 CG2 THR A 9 21.446 7.892 -3.682 1.00 0.00 C ATOM 0 H THR A 9 18.578 8.168 -2.930 1.00 0.00 H new ATOM 0 HA THR A 9 18.721 6.574 -5.345 1.00 0.00 H new ATOM 0 HB THR A 9 20.673 7.977 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 9 22.319 6.314 -5.528 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.466 8.132 -3.983 1.00 0.00 H new ATOM 0 HG22 THR A 9 20.933 8.805 -3.378 1.00 0.00 H new ATOM 0 HG23 THR A 9 21.470 7.194 -2.845 1.00 0.00 H new ATOM 87 N VAL A 10 18.925 4.578 -3.870 1.00 0.00 N ATOM 88 CA VAL A 10 18.907 3.417 -2.989 1.00 0.00 C ATOM 89 C VAL A 10 18.060 3.681 -1.749 1.00 0.00 C ATOM 90 O VAL A 10 18.587 3.866 -0.652 1.00 0.00 O ATOM 91 CB VAL A 10 20.330 3.023 -2.550 1.00 0.00 C ATOM 92 CG1 VAL A 10 20.301 1.741 -1.733 1.00 0.00 C ATOM 93 CG2 VAL A 10 21.238 2.873 -3.762 1.00 0.00 C ATOM 0 H VAL A 10 18.643 4.383 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 10 18.469 2.596 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 10 20.731 3.817 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 10 21.315 1.478 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 10 19.686 1.889 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.881 0.935 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.239 2.594 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.843 2.098 -4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 10 21.283 3.819 -4.302 1.00 0.00 H new ATOM 103 N SER A 11 16.743 3.696 -1.931 1.00 0.00 N ATOM 104 CA SER A 11 15.822 3.940 -0.827 1.00 0.00 C ATOM 105 C SER A 11 14.729 2.876 -0.786 1.00 0.00 C ATOM 106 O SER A 11 14.371 2.380 0.282 1.00 0.00 O ATOM 107 CB SER A 11 15.192 5.328 -0.959 1.00 0.00 C ATOM 108 OG SER A 11 14.483 5.680 0.217 1.00 0.00 O ATOM 0 H SER A 11 16.290 3.542 -2.832 1.00 0.00 H new ATOM 0 HA SER A 11 16.388 3.891 0.103 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.969 6.067 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 11 14.516 5.344 -1.814 1.00 0.00 H new ATOM 0 HG SER A 11 14.091 6.572 0.108 1.00 0.00 H new ATOM 114 N ALA A 12 14.204 2.530 -1.957 1.00 0.00 N ATOM 115 CA ALA A 12 13.154 1.524 -2.056 1.00 0.00 C ATOM 116 C ALA A 12 13.724 0.119 -1.893 1.00 0.00 C ATOM 117 O ALA A 12 14.833 -0.170 -2.344 1.00 0.00 O ATOM 118 CB ALA A 12 12.426 1.650 -3.386 1.00 0.00 C ATOM 0 H ALA A 12 14.489 2.932 -2.850 1.00 0.00 H new ATOM 0 HA ALA A 12 12.443 1.695 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.645 0.892 -3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.978 2.641 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.133 1.507 -4.203 1.00 0.00 H new ATOM 124 N THR A 13 12.958 -0.754 -1.244 1.00 0.00 N ATOM 125 CA THR A 13 13.387 -2.128 -1.020 1.00 0.00 C ATOM 126 C THR A 13 12.235 -3.105 -1.228 1.00 0.00 C ATOM 127 O THR A 13 11.122 -2.703 -1.568 1.00 0.00 O ATOM 128 CB THR A 13 13.954 -2.316 0.400 1.00 0.00 C ATOM 129 OG1 THR A 13 13.044 -1.778 1.365 1.00 0.00 O ATOM 130 CG2 THR A 13 15.307 -1.634 0.536 1.00 0.00 C ATOM 0 H THR A 13 12.037 -0.533 -0.865 1.00 0.00 H new ATOM 0 HA THR A 13 14.172 -2.336 -1.747 1.00 0.00 H new ATOM 0 HB THR A 13 14.083 -3.384 0.578 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.410 -1.903 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.688 -1.780 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.006 -2.065 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.198 -0.567 0.340 1.00 0.00 H new ATOM 138 N SER A 14 12.509 -4.389 -1.022 1.00 0.00 N ATOM 139 CA SER A 14 11.495 -5.423 -1.190 1.00 0.00 C ATOM 140 C SER A 14 11.271 -6.181 0.116 1.00 0.00 C ATOM 141 O SER A 14 12.102 -6.164 1.024 1.00 0.00 O ATOM 142 CB SER A 14 11.910 -6.399 -2.293 1.00 0.00 C ATOM 143 OG SER A 14 12.375 -7.620 -1.746 1.00 0.00 O ATOM 0 H SER A 14 13.425 -4.738 -0.739 1.00 0.00 H new ATOM 0 HA SER A 14 10.561 -4.939 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.062 -6.591 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.692 -5.950 -2.905 1.00 0.00 H new ATOM 0 HG SER A 14 12.632 -8.226 -2.471 1.00 0.00 H new ATOM 149 N PRO A 15 10.119 -6.862 0.213 1.00 0.00 N ATOM 150 CA PRO A 15 9.757 -7.639 1.402 1.00 0.00 C ATOM 151 C PRO A 15 10.621 -8.884 1.566 1.00 0.00 C ATOM 152 O PRO A 15 10.206 -9.989 1.217 1.00 0.00 O ATOM 153 CB PRO A 15 8.300 -8.029 1.140 1.00 0.00 C ATOM 154 CG PRO A 15 8.164 -8.012 -0.343 1.00 0.00 C ATOM 155 CD PRO A 15 9.082 -6.926 -0.831 1.00 0.00 C ATOM 0 HA PRO A 15 9.902 -7.070 2.321 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.075 -9.015 1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.612 -7.326 1.609 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.438 -8.976 -0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.134 -7.814 -0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.507 -7.167 -1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.559 -5.975 -0.937 1.00 0.00 H new ATOM 163 N ASN A 16 11.824 -8.698 2.099 1.00 0.00 N ATOM 164 CA ASN A 16 12.747 -9.808 2.309 1.00 0.00 C ATOM 165 C ASN A 16 12.775 -10.222 3.777 1.00 0.00 C ATOM 166 O ASN A 16 12.953 -11.397 4.099 1.00 0.00 O ATOM 167 CB ASN A 16 14.155 -9.422 1.850 1.00 0.00 C ATOM 168 CG ASN A 16 14.997 -10.630 1.489 1.00 0.00 C ATOM 169 OD1 ASN A 16 14.503 -11.758 1.458 1.00 0.00 O ATOM 170 ND2 ASN A 16 16.276 -10.399 1.216 1.00 0.00 N ATOM 0 H ASN A 16 12.183 -7.790 2.393 1.00 0.00 H new ATOM 0 HA ASN A 16 12.398 -10.654 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.084 -8.761 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.651 -8.860 2.642 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.892 -11.173 0.968 1.00 0.00 H new ATOM 0 HD22 ASN A 16 16.642 -9.448 1.254 1.00 0.00 H new ATOM 177 N LYS A 17 12.596 -9.249 4.664 1.00 0.00 N ATOM 178 CA LYS A 17 12.598 -9.510 6.099 1.00 0.00 C ATOM 179 C LYS A 17 11.324 -8.984 6.750 1.00 0.00 C ATOM 180 O LYS A 17 11.368 -8.070 7.574 1.00 0.00 O ATOM 181 CB LYS A 17 13.822 -8.865 6.753 1.00 0.00 C ATOM 182 CG LYS A 17 13.967 -7.385 6.446 1.00 0.00 C ATOM 183 CD LYS A 17 14.674 -6.648 7.571 1.00 0.00 C ATOM 184 CE LYS A 17 15.059 -5.236 7.158 1.00 0.00 C ATOM 185 NZ LYS A 17 13.865 -4.361 6.993 1.00 0.00 N ATOM 0 H LYS A 17 12.448 -8.271 4.414 1.00 0.00 H new ATOM 0 HA LYS A 17 12.641 -10.589 6.247 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.759 -8.999 7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.719 -9.386 6.419 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.526 -7.258 5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.982 -6.948 6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.025 -6.608 8.445 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.568 -7.199 7.863 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.723 -4.807 7.908 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.616 -5.271 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.170 -3.407 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 13.243 -4.757 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.347 -4.307 7.893 1.00 0.00 H new ATOM 199 N CYS A 18 10.190 -9.567 6.376 1.00 0.00 N ATOM 200 CA CYS A 18 8.902 -9.156 6.925 1.00 0.00 C ATOM 201 C CYS A 18 7.959 -10.349 7.049 1.00 0.00 C ATOM 202 O CYS A 18 7.698 -11.053 6.073 1.00 0.00 O ATOM 203 CB CYS A 18 8.268 -8.080 6.043 1.00 0.00 C ATOM 204 SG CYS A 18 6.928 -7.166 6.841 1.00 0.00 S ATOM 0 H CYS A 18 10.136 -10.325 5.696 1.00 0.00 H new ATOM 0 HA CYS A 18 9.073 -8.745 7.920 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.041 -7.376 5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 18 7.884 -8.548 5.136 1.00 0.00 H new ATOM 0 HG CYS A 18 6.458 -6.278 6.017 1.00 0.00 H new ATOM 210 N LYS A 19 7.452 -10.571 8.257 1.00 0.00 N ATOM 211 CA LYS A 19 6.538 -11.679 8.511 1.00 0.00 C ATOM 212 C LYS A 19 5.299 -11.201 9.262 1.00 0.00 C ATOM 213 O LYS A 19 5.166 -11.425 10.465 1.00 0.00 O ATOM 214 CB LYS A 19 7.243 -12.774 9.314 1.00 0.00 C ATOM 215 CG LYS A 19 8.549 -13.238 8.694 1.00 0.00 C ATOM 216 CD LYS A 19 8.308 -14.108 7.471 1.00 0.00 C ATOM 217 CE LYS A 19 9.521 -14.968 7.151 1.00 0.00 C ATOM 218 NZ LYS A 19 9.591 -16.174 8.021 1.00 0.00 N ATOM 0 H LYS A 19 7.658 -9.999 9.076 1.00 0.00 H new ATOM 0 HA LYS A 19 6.224 -12.086 7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.439 -12.405 10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.574 -13.629 9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.147 -12.371 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.125 -13.797 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.442 -14.748 7.643 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.072 -13.476 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.482 -15.276 6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.428 -14.377 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.431 -16.734 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.653 -15.881 9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.737 -16.751 7.883 1.00 0.00 H new ATOM 232 N ARG A 20 4.395 -10.542 8.544 1.00 0.00 N ATOM 233 CA ARG A 20 3.167 -10.033 9.143 1.00 0.00 C ATOM 234 C ARG A 20 2.291 -9.356 8.093 1.00 0.00 C ATOM 235 O ARG A 20 2.763 -8.919 7.043 1.00 0.00 O ATOM 236 CB ARG A 20 3.493 -9.046 10.265 1.00 0.00 C ATOM 237 CG ARG A 20 4.633 -8.097 9.930 1.00 0.00 C ATOM 238 CD ARG A 20 4.747 -6.980 10.955 1.00 0.00 C ATOM 239 NE ARG A 20 5.850 -6.071 10.654 1.00 0.00 N ATOM 240 CZ ARG A 20 6.283 -5.138 11.493 1.00 0.00 C ATOM 241 NH1 ARG A 20 5.711 -4.992 12.680 1.00 0.00 N ATOM 242 NH2 ARG A 20 7.292 -4.349 11.147 1.00 0.00 N ATOM 0 H ARG A 20 4.490 -10.348 7.547 1.00 0.00 H new ATOM 0 HA ARG A 20 2.618 -10.877 9.560 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.601 -8.462 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.749 -9.604 11.165 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.570 -8.652 9.890 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.473 -7.669 8.940 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.813 -6.419 10.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.892 -7.411 11.946 1.00 0.00 H new ATOM 0 HE ARG A 20 6.313 -6.158 9.749 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.936 -5.598 12.951 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.046 -4.274 13.323 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.736 -4.459 10.235 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.624 -3.632 11.793 1.00 0.00 H new ATOM 256 N PRO A 21 0.984 -9.265 8.382 1.00 0.00 N ATOM 257 CA PRO A 21 0.015 -8.642 7.476 1.00 0.00 C ATOM 258 C PRO A 21 0.198 -7.131 7.381 1.00 0.00 C ATOM 259 O PRO A 21 0.546 -6.476 8.362 1.00 0.00 O ATOM 260 CB PRO A 21 -1.335 -8.977 8.116 1.00 0.00 C ATOM 261 CG PRO A 21 -1.030 -9.176 9.561 1.00 0.00 C ATOM 262 CD PRO A 21 0.353 -9.764 9.615 1.00 0.00 C ATOM 0 HA PRO A 21 0.121 -9.006 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.053 -8.170 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.770 -9.874 7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.074 -8.231 10.103 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -1.756 -9.843 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.894 -9.438 10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.326 -10.853 9.640 1.00 0.00 H new ATOM 270 N MET A 22 -0.038 -6.585 6.192 1.00 0.00 N ATOM 271 CA MET A 22 0.100 -5.151 5.970 1.00 0.00 C ATOM 272 C MET A 22 -1.069 -4.390 6.587 1.00 0.00 C ATOM 273 O MET A 22 -2.168 -4.367 6.034 1.00 0.00 O ATOM 274 CB MET A 22 0.185 -4.851 4.472 1.00 0.00 C ATOM 275 CG MET A 22 1.126 -5.777 3.719 1.00 0.00 C ATOM 276 SD MET A 22 1.890 -4.982 2.293 1.00 0.00 S ATOM 277 CE MET A 22 0.446 -4.340 1.450 1.00 0.00 C ATOM 0 H MET A 22 -0.325 -7.114 5.369 1.00 0.00 H new ATOM 0 HA MET A 22 1.020 -4.821 6.452 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.812 -4.928 4.037 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.515 -3.821 4.334 1.00 0.00 H new ATOM 0 HG2 MET A 22 1.905 -6.126 4.396 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.575 -6.657 3.387 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.726 -4.010 0.450 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.310 -5.122 1.376 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.042 -3.497 2.011 1.00 0.00 H new ATOM 287 N ASN A 23 -0.824 -3.768 7.736 1.00 0.00 N ATOM 288 CA ASN A 23 -1.858 -3.007 8.429 1.00 0.00 C ATOM 289 C ASN A 23 -2.499 -1.985 7.495 1.00 0.00 C ATOM 290 O ASN A 23 -2.027 -1.768 6.379 1.00 0.00 O ATOM 291 CB ASN A 23 -1.267 -2.299 9.649 1.00 0.00 C ATOM 292 CG ASN A 23 -0.359 -3.203 10.459 1.00 0.00 C ATOM 293 OD1 ASN A 23 -0.756 -4.294 10.870 1.00 0.00 O ATOM 294 ND2 ASN A 23 0.869 -2.753 10.693 1.00 0.00 N ATOM 0 H ASN A 23 0.081 -3.776 8.207 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.628 -3.704 8.759 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.705 -1.424 9.321 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.076 -1.939 10.284 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.525 -3.318 11.232 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.156 -1.843 10.333 1.00 0.00 H new ATOM 301 N ALA A 24 -3.575 -1.360 7.959 1.00 0.00 N ATOM 302 CA ALA A 24 -4.280 -0.359 7.167 1.00 0.00 C ATOM 303 C ALA A 24 -3.343 0.770 6.752 1.00 0.00 C ATOM 304 O ALA A 24 -3.252 1.113 5.573 1.00 0.00 O ATOM 305 CB ALA A 24 -5.464 0.193 7.947 1.00 0.00 C ATOM 0 H ALA A 24 -3.979 -1.529 8.880 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.650 -0.841 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.981 0.939 7.344 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.151 -0.618 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.109 0.654 8.869 1.00 0.00 H new ATOM 311 N PHE A 25 -2.649 1.346 7.729 1.00 0.00 N ATOM 312 CA PHE A 25 -1.721 2.439 7.464 1.00 0.00 C ATOM 313 C PHE A 25 -0.719 2.052 6.381 1.00 0.00 C ATOM 314 O PHE A 25 -0.416 2.844 5.489 1.00 0.00 O ATOM 315 CB PHE A 25 -0.979 2.827 8.745 1.00 0.00 C ATOM 316 CG PHE A 25 -0.066 4.007 8.575 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.583 5.274 8.355 1.00 0.00 C ATOM 318 CD2 PHE A 25 1.309 3.851 8.636 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.255 6.362 8.197 1.00 0.00 C ATOM 320 CE2 PHE A 25 2.153 4.935 8.479 1.00 0.00 C ATOM 321 CZ PHE A 25 1.625 6.192 8.261 1.00 0.00 C ATOM 0 H PHE A 25 -2.712 1.074 8.710 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.297 3.294 7.112 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.708 3.051 9.524 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.396 1.973 9.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.653 5.413 8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.727 2.870 8.808 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.160 7.344 8.024 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.223 4.799 8.527 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.282 7.041 8.141 1.00 0.00 H new ATOM 331 N MET A 26 -0.209 0.828 6.465 1.00 0.00 N ATOM 332 CA MET A 26 0.759 0.334 5.492 1.00 0.00 C ATOM 333 C MET A 26 0.243 0.525 4.069 1.00 0.00 C ATOM 334 O MET A 26 0.982 0.958 3.183 1.00 0.00 O ATOM 335 CB MET A 26 1.059 -1.144 5.744 1.00 0.00 C ATOM 336 CG MET A 26 1.625 -1.422 7.127 1.00 0.00 C ATOM 337 SD MET A 26 2.809 -2.781 7.134 1.00 0.00 S ATOM 338 CE MET A 26 3.993 -2.194 8.343 1.00 0.00 C ATOM 0 H MET A 26 -0.450 0.160 7.197 1.00 0.00 H new ATOM 0 HA MET A 26 1.679 0.908 5.607 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.143 -1.720 5.613 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.767 -1.496 4.993 1.00 0.00 H new ATOM 0 HG2 MET A 26 2.110 -0.522 7.504 1.00 0.00 H new ATOM 0 HG3 MET A 26 0.808 -1.654 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.790 -2.929 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.418 -1.248 8.007 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.493 -2.047 9.300 1.00 0.00 H new ATOM 348 N LEU A 27 -1.027 0.200 3.856 1.00 0.00 N ATOM 349 CA LEU A 27 -1.641 0.335 2.540 1.00 0.00 C ATOM 350 C LEU A 27 -1.736 1.801 2.131 1.00 0.00 C ATOM 351 O LEU A 27 -1.689 2.131 0.946 1.00 0.00 O ATOM 352 CB LEU A 27 -3.033 -0.299 2.537 1.00 0.00 C ATOM 353 CG LEU A 27 -3.430 -1.042 1.261 1.00 0.00 C ATOM 354 CD1 LEU A 27 -2.470 -2.189 0.990 1.00 0.00 C ATOM 355 CD2 LEU A 27 -4.860 -1.553 1.364 1.00 0.00 C ATOM 0 H LEU A 27 -1.652 -0.159 4.578 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.011 -0.184 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.095 -0.996 3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.768 0.485 2.720 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.374 -0.344 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.769 -2.706 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.460 -1.797 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.492 -2.887 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.125 -2.079 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.943 -2.235 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.538 -0.711 1.508 1.00 0.00 H new ATOM 367 N PHE A 28 -1.869 2.678 3.121 1.00 0.00 N ATOM 368 CA PHE A 28 -1.970 4.110 2.865 1.00 0.00 C ATOM 369 C PHE A 28 -0.603 4.701 2.530 1.00 0.00 C ATOM 370 O PHE A 28 -0.399 5.245 1.446 1.00 0.00 O ATOM 371 CB PHE A 28 -2.563 4.826 4.081 1.00 0.00 C ATOM 372 CG PHE A 28 -2.428 6.321 4.020 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.310 6.951 4.542 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.420 7.096 3.441 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.184 8.326 4.488 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.300 8.472 3.385 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.180 9.088 3.908 1.00 0.00 C ATOM 0 H PHE A 28 -1.909 2.422 4.108 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.629 4.255 2.009 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.618 4.567 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.072 4.461 4.983 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.528 6.361 4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.297 6.620 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.307 8.805 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.081 9.065 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.083 10.163 3.864 1.00 0.00 H new ATOM 387 N ALA A 29 0.330 4.589 3.471 1.00 0.00 N ATOM 388 CA ALA A 29 1.677 5.109 3.276 1.00 0.00 C ATOM 389 C ALA A 29 2.305 4.546 2.005 1.00 0.00 C ATOM 390 O ALA A 29 3.177 5.171 1.401 1.00 0.00 O ATOM 391 CB ALA A 29 2.547 4.789 4.482 1.00 0.00 C ATOM 0 H ALA A 29 0.177 4.143 4.375 1.00 0.00 H new ATOM 0 HA ALA A 29 1.609 6.191 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.550 5.184 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.116 5.245 5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.599 3.709 4.616 1.00 0.00 H new ATOM 397 N LYS A 30 1.856 3.362 1.603 1.00 0.00 N ATOM 398 CA LYS A 30 2.372 2.714 0.404 1.00 0.00 C ATOM 399 C LYS A 30 1.676 3.246 -0.845 1.00 0.00 C ATOM 400 O LYS A 30 2.327 3.718 -1.777 1.00 0.00 O ATOM 401 CB LYS A 30 2.185 1.198 0.498 1.00 0.00 C ATOM 402 CG LYS A 30 2.953 0.423 -0.559 1.00 0.00 C ATOM 403 CD LYS A 30 2.388 -0.974 -0.748 1.00 0.00 C ATOM 404 CE LYS A 30 1.237 -0.980 -1.742 1.00 0.00 C ATOM 405 NZ LYS A 30 1.715 -0.831 -3.145 1.00 0.00 N ATOM 0 H LYS A 30 1.135 2.831 2.091 1.00 0.00 H new ATOM 0 HA LYS A 30 3.436 2.939 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.502 0.862 1.485 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.124 0.965 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.916 0.962 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.002 0.356 -0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.175 -1.642 -1.097 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.044 -1.361 0.211 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.679 -1.911 -1.646 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.548 -0.169 -1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.932 -1.025 -3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.059 0.139 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.489 -1.503 -3.321 1.00 0.00 H new ATOM 419 N LYS A 31 0.350 3.168 -0.856 1.00 0.00 N ATOM 420 CA LYS A 31 -0.435 3.645 -1.988 1.00 0.00 C ATOM 421 C LYS A 31 -0.172 5.124 -2.249 1.00 0.00 C ATOM 422 O LYS A 31 -0.220 5.582 -3.391 1.00 0.00 O ATOM 423 CB LYS A 31 -1.927 3.418 -1.732 1.00 0.00 C ATOM 424 CG LYS A 31 -2.792 3.608 -2.966 1.00 0.00 C ATOM 425 CD LYS A 31 -4.259 3.355 -2.664 1.00 0.00 C ATOM 426 CE LYS A 31 -4.984 4.642 -2.301 1.00 0.00 C ATOM 427 NZ LYS A 31 -6.462 4.464 -2.295 1.00 0.00 N ATOM 0 H LYS A 31 -0.204 2.779 -0.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.134 3.080 -2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.072 2.408 -1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.262 4.104 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.668 4.622 -3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.459 2.930 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.737 2.899 -3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.345 2.644 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.655 4.979 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.715 5.423 -3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.885 5.045 -3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.692 3.463 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.843 4.759 -1.374 1.00 0.00 H new ATOM 441 N TYR A 32 0.106 5.867 -1.183 1.00 0.00 N ATOM 442 CA TYR A 32 0.376 7.296 -1.297 1.00 0.00 C ATOM 443 C TYR A 32 1.877 7.566 -1.331 1.00 0.00 C ATOM 444 O TYR A 32 2.314 8.714 -1.258 1.00 0.00 O ATOM 445 CB TYR A 32 -0.264 8.051 -0.131 1.00 0.00 C ATOM 446 CG TYR A 32 -1.705 8.436 -0.376 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.593 7.541 -0.961 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.180 9.693 -0.023 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.911 7.888 -1.187 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.496 10.048 -0.244 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.358 9.142 -0.827 1.00 0.00 C ATOM 452 OH TYR A 32 -5.670 9.492 -1.050 1.00 0.00 O ATOM 0 H TYR A 32 0.150 5.504 -0.231 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.059 7.649 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.209 7.432 0.765 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.315 8.953 0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.247 6.558 -1.244 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.508 10.405 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.588 7.181 -1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.849 11.029 0.038 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.822 10.409 -0.738 1.00 0.00 H new ATOM 462 N ARG A 33 2.661 6.499 -1.443 1.00 0.00 N ATOM 463 CA ARG A 33 4.113 6.619 -1.486 1.00 0.00 C ATOM 464 C ARG A 33 4.564 7.309 -2.770 1.00 0.00 C ATOM 465 O ARG A 33 5.031 8.448 -2.744 1.00 0.00 O ATOM 466 CB ARG A 33 4.764 5.238 -1.381 1.00 0.00 C ATOM 467 CG ARG A 33 6.276 5.287 -1.236 1.00 0.00 C ATOM 468 CD ARG A 33 6.784 4.184 -0.321 1.00 0.00 C ATOM 469 NE ARG A 33 8.141 3.769 -0.665 1.00 0.00 N ATOM 470 CZ ARG A 33 8.448 3.109 -1.777 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.499 2.792 -2.647 1.00 0.00 N ATOM 472 NH2 ARG A 33 9.706 2.765 -2.020 1.00 0.00 N ATOM 0 H ARG A 33 2.315 5.542 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 33 4.427 7.227 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.342 4.711 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.511 4.658 -2.269 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.740 5.190 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.573 6.257 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.762 4.531 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.116 3.325 -0.383 1.00 0.00 H new ATOM 0 HE ARG A 33 8.894 3.998 -0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.531 3.055 -2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.737 2.285 -3.500 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.439 3.007 -1.353 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.940 2.258 -2.874 1.00 0.00 H new ATOM 486 N VAL A 34 4.420 6.611 -3.892 1.00 0.00 N ATOM 487 CA VAL A 34 4.812 7.157 -5.187 1.00 0.00 C ATOM 488 C VAL A 34 4.105 8.479 -5.462 1.00 0.00 C ATOM 489 O VAL A 34 4.639 9.347 -6.151 1.00 0.00 O ATOM 490 CB VAL A 34 4.498 6.172 -6.329 1.00 0.00 C ATOM 491 CG1 VAL A 34 2.996 6.000 -6.488 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.130 6.646 -7.629 1.00 0.00 C ATOM 0 H VAL A 34 4.035 5.667 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 34 5.888 7.325 -5.148 1.00 0.00 H new ATOM 0 HB VAL A 34 4.925 5.201 -6.077 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.794 5.301 -7.299 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.574 5.612 -5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.542 6.964 -6.718 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.898 5.939 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.734 7.628 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.211 6.712 -7.505 1.00 0.00 H new ATOM 502 N GLU A 35 2.900 8.625 -4.919 1.00 0.00 N ATOM 503 CA GLU A 35 2.120 9.842 -5.107 1.00 0.00 C ATOM 504 C GLU A 35 2.797 11.032 -4.433 1.00 0.00 C ATOM 505 O GLU A 35 2.692 12.166 -4.900 1.00 0.00 O ATOM 506 CB GLU A 35 0.708 9.661 -4.547 1.00 0.00 C ATOM 507 CG GLU A 35 0.066 8.337 -4.930 1.00 0.00 C ATOM 508 CD GLU A 35 0.206 8.027 -6.408 1.00 0.00 C ATOM 509 OE1 GLU A 35 0.293 8.981 -7.209 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.229 6.830 -6.762 1.00 0.00 O ATOM 0 H GLU A 35 2.443 7.916 -4.346 1.00 0.00 H new ATOM 0 HA GLU A 35 2.056 10.040 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.745 9.736 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.078 10.477 -4.902 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.522 7.535 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.991 8.360 -4.666 1.00 0.00 H new ATOM 517 N TYR A 36 3.492 10.764 -3.333 1.00 0.00 N ATOM 518 CA TYR A 36 4.184 11.812 -2.592 1.00 0.00 C ATOM 519 C TYR A 36 5.641 11.919 -3.032 1.00 0.00 C ATOM 520 O TYR A 36 6.263 12.975 -2.915 1.00 0.00 O ATOM 521 CB TYR A 36 4.112 11.537 -1.090 1.00 0.00 C ATOM 522 CG TYR A 36 2.816 11.985 -0.453 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.590 11.573 -0.962 1.00 0.00 C ATOM 524 CD2 TYR A 36 2.817 12.821 0.657 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.404 11.982 -0.384 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.635 13.233 1.242 1.00 0.00 C ATOM 527 CZ TYR A 36 0.431 12.811 0.718 1.00 0.00 C ATOM 528 OH TYR A 36 -0.748 13.218 1.297 1.00 0.00 O ATOM 0 H TYR A 36 3.591 9.830 -2.935 1.00 0.00 H new ATOM 0 HA TYR A 36 3.689 12.759 -2.805 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.241 10.468 -0.918 1.00 0.00 H new ATOM 0 HB3 TYR A 36 4.943 12.041 -0.597 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.564 10.922 -1.824 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.758 13.154 1.069 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.540 11.654 -0.793 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.654 13.882 2.105 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.492 13.040 0.684 1.00 0.00 H new ATOM 538 N THR A 37 6.182 10.815 -3.540 1.00 0.00 N ATOM 539 CA THR A 37 7.565 10.781 -3.997 1.00 0.00 C ATOM 540 C THR A 37 7.787 11.756 -5.148 1.00 0.00 C ATOM 541 O THR A 37 8.879 12.300 -5.309 1.00 0.00 O ATOM 542 CB THR A 37 7.973 9.367 -4.451 1.00 0.00 C ATOM 543 OG1 THR A 37 7.518 8.397 -3.500 1.00 0.00 O ATOM 544 CG2 THR A 37 9.482 9.263 -4.607 1.00 0.00 C ATOM 0 H THR A 37 5.682 9.932 -3.645 1.00 0.00 H new ATOM 0 HA THR A 37 8.185 11.075 -3.150 1.00 0.00 H new ATOM 0 HB THR A 37 7.510 9.172 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.538 8.394 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.746 8.255 -4.928 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.821 9.982 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.962 9.477 -3.652 1.00 0.00 H new ATOM 552 N GLN A 38 6.745 11.972 -5.944 1.00 0.00 N ATOM 553 CA GLN A 38 6.828 12.882 -7.080 1.00 0.00 C ATOM 554 C GLN A 38 6.222 14.239 -6.736 1.00 0.00 C ATOM 555 O GLN A 38 6.616 15.264 -7.291 1.00 0.00 O ATOM 556 CB GLN A 38 6.114 12.284 -8.293 1.00 0.00 C ATOM 557 CG GLN A 38 6.674 10.938 -8.726 1.00 0.00 C ATOM 558 CD GLN A 38 6.396 10.632 -10.184 1.00 0.00 C ATOM 559 OE1 GLN A 38 6.471 11.514 -11.041 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.073 9.378 -10.475 1.00 0.00 N ATOM 0 H GLN A 38 5.834 11.530 -5.823 1.00 0.00 H new ATOM 0 HA GLN A 38 7.881 13.026 -7.322 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.055 12.170 -8.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.184 12.983 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.750 10.925 -8.555 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.243 10.153 -8.105 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.023 8.679 -9.734 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.875 9.113 -11.440 1.00 0.00 H new ATOM 569 N MET A 39 5.261 14.237 -5.818 1.00 0.00 N ATOM 570 CA MET A 39 4.601 15.468 -5.400 1.00 0.00 C ATOM 571 C MET A 39 5.516 16.300 -4.507 1.00 0.00 C ATOM 572 O MET A 39 5.488 17.530 -4.547 1.00 0.00 O ATOM 573 CB MET A 39 3.300 15.149 -4.661 1.00 0.00 C ATOM 574 CG MET A 39 2.093 15.032 -5.577 1.00 0.00 C ATOM 575 SD MET A 39 0.531 15.174 -4.689 1.00 0.00 S ATOM 576 CE MET A 39 0.015 13.459 -4.635 1.00 0.00 C ATOM 0 H MET A 39 4.922 13.397 -5.350 1.00 0.00 H new ATOM 0 HA MET A 39 4.370 16.048 -6.294 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.422 14.214 -4.114 1.00 0.00 H new ATOM 0 HB3 MET A 39 3.111 15.928 -3.922 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.144 15.808 -6.340 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.126 14.073 -6.095 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.043 13.405 -4.380 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.177 12.999 -5.610 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.597 12.928 -3.882 1.00 0.00 H new ATOM 586 N TYR A 40 6.327 15.621 -3.703 1.00 0.00 N ATOM 587 CA TYR A 40 7.249 16.297 -2.798 1.00 0.00 C ATOM 588 C TYR A 40 8.680 15.819 -3.021 1.00 0.00 C ATOM 589 O TYR A 40 9.271 15.135 -2.185 1.00 0.00 O ATOM 590 CB TYR A 40 6.839 16.056 -1.345 1.00 0.00 C ATOM 591 CG TYR A 40 5.438 16.526 -1.025 1.00 0.00 C ATOM 592 CD1 TYR A 40 4.330 15.778 -1.402 1.00 0.00 C ATOM 593 CD2 TYR A 40 5.223 17.718 -0.344 1.00 0.00 C ATOM 594 CE1 TYR A 40 3.048 16.204 -1.112 1.00 0.00 C ATOM 595 CE2 TYR A 40 3.944 18.151 -0.049 1.00 0.00 C ATOM 596 CZ TYR A 40 2.860 17.391 -0.435 1.00 0.00 C ATOM 597 OH TYR A 40 1.585 17.818 -0.144 1.00 0.00 O ATOM 0 H TYR A 40 6.365 14.603 -3.660 1.00 0.00 H new ATOM 0 HA TYR A 40 7.206 17.366 -3.008 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.914 14.991 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.543 16.566 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.473 14.847 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.069 18.316 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 40 2.198 15.611 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.794 19.080 0.481 1.00 0.00 H new ATOM 0 HH TYR A 40 1.627 18.671 0.337 1.00 0.00 H new ATOM 607 N PRO A 41 9.253 16.187 -4.177 1.00 0.00 N ATOM 608 CA PRO A 41 10.623 15.808 -4.537 1.00 0.00 C ATOM 609 C PRO A 41 11.665 16.518 -3.681 1.00 0.00 C ATOM 610 O PRO A 41 11.418 17.605 -3.159 1.00 0.00 O ATOM 611 CB PRO A 41 10.740 16.250 -5.998 1.00 0.00 C ATOM 612 CG PRO A 41 9.744 17.348 -6.143 1.00 0.00 C ATOM 613 CD PRO A 41 8.608 17.002 -5.220 1.00 0.00 C ATOM 0 HA PRO A 41 10.806 14.745 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.748 16.597 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.524 15.427 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.183 18.310 -5.878 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.399 17.428 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.143 17.895 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.825 16.447 -5.737 1.00 0.00 H new ATOM 621 N GLY A 42 12.832 15.897 -3.541 1.00 0.00 N ATOM 622 CA GLY A 42 13.895 16.485 -2.747 1.00 0.00 C ATOM 623 C GLY A 42 13.826 16.074 -1.289 1.00 0.00 C ATOM 624 O GLY A 42 14.836 15.701 -0.692 1.00 0.00 O ATOM 0 H GLY A 42 13.060 14.997 -3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.859 16.188 -3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.839 17.571 -2.818 1.00 0.00 H new ATOM 628 N LYS A 43 12.630 16.144 -0.713 1.00 0.00 N ATOM 629 CA LYS A 43 12.432 15.776 0.684 1.00 0.00 C ATOM 630 C LYS A 43 12.927 14.358 0.950 1.00 0.00 C ATOM 631 O LYS A 43 12.946 13.519 0.049 1.00 0.00 O ATOM 632 CB LYS A 43 10.952 15.889 1.057 1.00 0.00 C ATOM 633 CG LYS A 43 10.470 17.321 1.209 1.00 0.00 C ATOM 634 CD LYS A 43 9.078 17.380 1.816 1.00 0.00 C ATOM 635 CE LYS A 43 8.540 18.803 1.839 1.00 0.00 C ATOM 636 NZ LYS A 43 7.224 18.886 2.530 1.00 0.00 N ATOM 0 H LYS A 43 11.784 16.452 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 43 13.010 16.465 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.354 15.393 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.780 15.356 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.166 17.875 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.464 17.809 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.403 16.744 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.105 16.984 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.256 19.454 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.438 19.169 0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.781 19.804 2.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.606 18.120 2.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.364 18.792 3.556 1.00 0.00 H new ATOM 650 N ASP A 44 13.326 14.098 2.190 1.00 0.00 N ATOM 651 CA ASP A 44 13.819 12.781 2.574 1.00 0.00 C ATOM 652 C ASP A 44 12.665 11.858 2.953 1.00 0.00 C ATOM 653 O ASP A 44 11.577 12.318 3.299 1.00 0.00 O ATOM 654 CB ASP A 44 14.798 12.900 3.743 1.00 0.00 C ATOM 655 CG ASP A 44 15.555 11.612 3.998 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.513 11.329 3.248 1.00 0.00 O ATOM 657 OD2 ASP A 44 15.190 10.886 4.946 1.00 0.00 O ATOM 0 H ASP A 44 13.318 14.782 2.946 1.00 0.00 H new ATOM 0 HA ASP A 44 14.338 12.351 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.508 13.701 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.252 13.181 4.643 1.00 0.00 H new ATOM 662 N ASN A 45 12.910 10.554 2.885 1.00 0.00 N ATOM 663 CA ASN A 45 11.890 9.566 3.219 1.00 0.00 C ATOM 664 C ASN A 45 11.285 9.852 4.590 1.00 0.00 C ATOM 665 O ASN A 45 10.068 9.787 4.768 1.00 0.00 O ATOM 666 CB ASN A 45 12.488 8.158 3.197 1.00 0.00 C ATOM 667 CG ASN A 45 11.513 7.108 3.693 1.00 0.00 C ATOM 668 OD1 ASN A 45 10.435 6.929 3.127 1.00 0.00 O ATOM 669 ND2 ASN A 45 11.889 6.407 4.757 1.00 0.00 N ATOM 0 H ASN A 45 13.806 10.156 2.602 1.00 0.00 H new ATOM 0 HA ASN A 45 11.099 9.629 2.472 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.796 7.913 2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.385 8.138 3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.275 5.687 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.792 6.589 5.195 1.00 0.00 H new ATOM 676 N ARG A 46 12.142 10.169 5.555 1.00 0.00 N ATOM 677 CA ARG A 46 11.692 10.464 6.910 1.00 0.00 C ATOM 678 C ARG A 46 10.629 11.558 6.903 1.00 0.00 C ATOM 679 O ARG A 46 9.776 11.615 7.789 1.00 0.00 O ATOM 680 CB ARG A 46 12.875 10.893 7.781 1.00 0.00 C ATOM 681 CG ARG A 46 12.545 10.964 9.263 1.00 0.00 C ATOM 682 CD ARG A 46 12.509 9.580 9.892 1.00 0.00 C ATOM 683 NE ARG A 46 12.083 9.625 11.288 1.00 0.00 N ATOM 684 CZ ARG A 46 12.255 8.621 12.142 1.00 0.00 C ATOM 685 NH1 ARG A 46 12.841 7.501 11.743 1.00 0.00 N ATOM 686 NH2 ARG A 46 11.840 8.738 13.397 1.00 0.00 N ATOM 0 H ARG A 46 13.152 10.228 5.424 1.00 0.00 H new ATOM 0 HA ARG A 46 11.253 9.557 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.697 10.192 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.225 11.870 7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.287 11.578 9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.580 11.452 9.399 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.830 8.942 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 46 13.499 9.127 9.829 1.00 0.00 H new ATOM 0 HE ARG A 46 11.629 10.473 11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.161 7.408 10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.972 6.732 12.400 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.389 9.599 13.707 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.972 7.967 14.052 1.00 0.00 H new ATOM 700 N ALA A 47 10.686 12.426 5.898 1.00 0.00 N ATOM 701 CA ALA A 47 9.727 13.517 5.775 1.00 0.00 C ATOM 702 C ALA A 47 8.429 13.038 5.133 1.00 0.00 C ATOM 703 O ALA A 47 7.338 13.384 5.586 1.00 0.00 O ATOM 704 CB ALA A 47 10.328 14.659 4.968 1.00 0.00 C ATOM 0 H ALA A 47 11.386 12.395 5.157 1.00 0.00 H new ATOM 0 HA ALA A 47 9.494 13.878 6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.601 15.467 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.223 15.027 5.469 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.591 14.302 3.972 1.00 0.00 H new ATOM 710 N ILE A 48 8.556 12.242 4.077 1.00 0.00 N ATOM 711 CA ILE A 48 7.392 11.716 3.374 1.00 0.00 C ATOM 712 C ILE A 48 6.478 10.948 4.322 1.00 0.00 C ATOM 713 O ILE A 48 5.272 10.852 4.096 1.00 0.00 O ATOM 714 CB ILE A 48 7.806 10.790 2.215 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.699 11.542 1.226 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.575 10.238 1.513 1.00 0.00 C ATOM 717 CD1 ILE A 48 7.999 12.691 0.534 1.00 0.00 C ATOM 0 H ILE A 48 9.452 11.947 3.689 1.00 0.00 H new ATOM 0 HA ILE A 48 6.854 12.573 2.969 1.00 0.00 H new ATOM 0 HB ILE A 48 8.373 9.953 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.572 11.924 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.063 10.843 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.884 9.585 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.975 9.670 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.983 11.062 1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.691 13.179 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.142 12.312 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.659 13.411 1.278 1.00 0.00 H new ATOM 729 N SER A 49 7.060 10.404 5.386 1.00 0.00 N ATOM 730 CA SER A 49 6.298 9.643 6.369 1.00 0.00 C ATOM 731 C SER A 49 5.549 10.575 7.316 1.00 0.00 C ATOM 732 O SER A 49 4.348 10.418 7.539 1.00 0.00 O ATOM 733 CB SER A 49 7.227 8.726 7.167 1.00 0.00 C ATOM 734 OG SER A 49 6.597 8.265 8.349 1.00 0.00 O ATOM 0 H SER A 49 8.057 10.476 5.589 1.00 0.00 H new ATOM 0 HA SER A 49 5.569 9.034 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.520 7.875 6.552 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.140 9.263 7.424 1.00 0.00 H new ATOM 0 HG SER A 49 7.211 7.680 8.840 1.00 0.00 H new ATOM 740 N VAL A 50 6.266 11.546 7.871 1.00 0.00 N ATOM 741 CA VAL A 50 5.671 12.505 8.794 1.00 0.00 C ATOM 742 C VAL A 50 4.475 13.208 8.160 1.00 0.00 C ATOM 743 O VAL A 50 3.473 13.470 8.825 1.00 0.00 O ATOM 744 CB VAL A 50 6.696 13.564 9.242 1.00 0.00 C ATOM 745 CG1 VAL A 50 6.052 14.561 10.194 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.900 12.898 9.889 1.00 0.00 C ATOM 0 H VAL A 50 7.261 11.690 7.697 1.00 0.00 H new ATOM 0 HA VAL A 50 5.338 11.941 9.665 1.00 0.00 H new ATOM 0 HB VAL A 50 7.039 14.108 8.362 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.791 15.301 10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.224 15.061 9.692 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.679 14.036 11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.614 13.660 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.576 12.328 10.760 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.374 12.228 9.172 1.00 0.00 H new ATOM 756 N ILE A 51 4.588 13.509 6.871 1.00 0.00 N ATOM 757 CA ILE A 51 3.515 14.180 6.147 1.00 0.00 C ATOM 758 C ILE A 51 2.380 13.213 5.826 1.00 0.00 C ATOM 759 O ILE A 51 1.210 13.595 5.812 1.00 0.00 O ATOM 760 CB ILE A 51 4.027 14.807 4.836 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.212 15.732 5.117 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.907 15.567 4.141 1.00 0.00 C ATOM 763 CD1 ILE A 51 5.910 16.217 3.866 1.00 0.00 C ATOM 0 H ILE A 51 5.411 13.299 6.306 1.00 0.00 H new ATOM 0 HA ILE A 51 3.142 14.971 6.797 1.00 0.00 H new ATOM 0 HB ILE A 51 4.363 14.009 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.863 16.594 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.932 15.206 5.744 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.283 16.005 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.090 14.883 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.544 16.359 4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.740 16.868 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.290 15.362 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.204 16.771 3.247 1.00 0.00 H new ATOM 775 N LEU A 52 2.734 11.958 5.570 1.00 0.00 N ATOM 776 CA LEU A 52 1.746 10.934 5.250 1.00 0.00 C ATOM 777 C LEU A 52 0.865 10.632 6.458 1.00 0.00 C ATOM 778 O LEU A 52 -0.360 10.587 6.351 1.00 0.00 O ATOM 779 CB LEU A 52 2.441 9.656 4.779 1.00 0.00 C ATOM 780 CG LEU A 52 2.733 9.564 3.281 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.558 8.324 2.973 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.437 9.555 2.484 1.00 0.00 C ATOM 0 H LEU A 52 3.698 11.625 5.578 1.00 0.00 H new ATOM 0 HA LEU A 52 1.113 11.313 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.383 9.558 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.822 8.804 5.061 1.00 0.00 H new ATOM 0 HG LEU A 52 3.310 10.441 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.756 8.275 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.503 8.372 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.008 7.435 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.665 9.489 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.834 8.697 2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.883 10.473 2.680 1.00 0.00 H new ATOM 794 N GLY A 53 1.498 10.427 7.610 1.00 0.00 N ATOM 795 CA GLY A 53 0.757 10.134 8.822 1.00 0.00 C ATOM 796 C GLY A 53 -0.322 11.160 9.104 1.00 0.00 C ATOM 797 O GLY A 53 -1.473 10.807 9.364 1.00 0.00 O ATOM 0 H GLY A 53 2.511 10.459 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.302 9.147 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.446 10.095 9.665 1.00 0.00 H new ATOM 801 N ASP A 54 0.049 12.435 9.056 1.00 0.00 N ATOM 802 CA ASP A 54 -0.895 13.517 9.309 1.00 0.00 C ATOM 803 C ASP A 54 -2.141 13.364 8.442 1.00 0.00 C ATOM 804 O ASP A 54 -3.265 13.524 8.919 1.00 0.00 O ATOM 805 CB ASP A 54 -0.236 14.871 9.043 1.00 0.00 C ATOM 806 CG ASP A 54 -0.869 15.991 9.845 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.018 15.829 11.074 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.214 17.029 9.243 1.00 0.00 O ATOM 0 H ASP A 54 0.998 12.744 8.844 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.194 13.468 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.825 14.809 9.285 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.307 15.104 7.981 1.00 0.00 H new ATOM 813 N ARG A 55 -1.934 13.055 7.166 1.00 0.00 N ATOM 814 CA ARG A 55 -3.041 12.884 6.232 1.00 0.00 C ATOM 815 C ARG A 55 -3.973 11.768 6.694 1.00 0.00 C ATOM 816 O ARG A 55 -5.185 11.833 6.487 1.00 0.00 O ATOM 817 CB ARG A 55 -2.510 12.573 4.832 1.00 0.00 C ATOM 818 CG ARG A 55 -1.939 13.785 4.114 1.00 0.00 C ATOM 819 CD ARG A 55 -2.871 14.271 3.015 1.00 0.00 C ATOM 820 NE ARG A 55 -2.491 15.591 2.519 1.00 0.00 N ATOM 821 CZ ARG A 55 -2.650 16.712 3.215 1.00 0.00 C ATOM 822 NH1 ARG A 55 -3.180 16.672 4.429 1.00 0.00 N ATOM 823 NH2 ARG A 55 -2.280 17.875 2.695 1.00 0.00 N ATOM 0 H ARG A 55 -1.010 12.918 6.755 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.606 13.816 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.737 11.808 4.907 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.317 12.152 4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.770 14.588 4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.969 13.532 3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.862 13.558 2.191 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.892 14.307 3.395 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.081 15.656 1.587 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.467 15.780 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.301 17.534 4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.873 17.909 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.402 18.735 3.230 1.00 0.00 H new ATOM 837 N TRP A 56 -3.400 10.746 7.319 1.00 0.00 N ATOM 838 CA TRP A 56 -4.181 9.615 7.809 1.00 0.00 C ATOM 839 C TRP A 56 -5.038 10.022 9.002 1.00 0.00 C ATOM 840 O TRP A 56 -6.068 9.407 9.278 1.00 0.00 O ATOM 841 CB TRP A 56 -3.255 8.462 8.200 1.00 0.00 C ATOM 842 CG TRP A 56 -3.983 7.289 8.784 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.247 7.063 10.105 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.537 6.180 8.067 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.932 5.881 10.251 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.123 5.321 9.016 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.597 5.832 6.715 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.759 4.136 8.655 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.228 4.655 6.358 1.00 0.00 C ATOM 850 CH2 TRP A 56 -5.803 3.819 7.324 1.00 0.00 C ATOM 0 H TRP A 56 -2.398 10.677 7.499 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.841 9.286 7.007 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.701 8.136 7.320 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.522 8.822 8.922 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.960 7.717 10.915 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.247 5.485 11.136 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.158 6.471 5.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.202 3.490 9.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.279 4.375 5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.290 2.907 7.013 1.00 0.00 H new ATOM 861 N LYS A 57 -4.608 11.063 9.707 1.00 0.00 N ATOM 862 CA LYS A 57 -5.337 11.554 10.871 1.00 0.00 C ATOM 863 C LYS A 57 -6.365 12.605 10.465 1.00 0.00 C ATOM 864 O LYS A 57 -7.416 12.735 11.092 1.00 0.00 O ATOM 865 CB LYS A 57 -4.365 12.143 11.895 1.00 0.00 C ATOM 866 CG LYS A 57 -3.317 11.156 12.378 1.00 0.00 C ATOM 867 CD LYS A 57 -2.116 11.867 12.978 1.00 0.00 C ATOM 868 CE LYS A 57 -2.507 12.693 14.194 1.00 0.00 C ATOM 869 NZ LYS A 57 -1.314 13.194 14.931 1.00 0.00 N ATOM 0 H LYS A 57 -3.757 11.584 9.492 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.863 10.712 11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.864 13.005 11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.931 12.508 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.757 10.492 13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.993 10.532 11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.362 11.133 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.663 12.515 12.227 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.120 13.537 13.878 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.119 12.088 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.623 13.752 15.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.742 12.388 15.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.743 13.792 14.301 1.00 0.00 H new ATOM 883 N LYS A 58 -6.055 13.353 9.411 1.00 0.00 N ATOM 884 CA LYS A 58 -6.952 14.392 8.919 1.00 0.00 C ATOM 885 C LYS A 58 -8.116 13.782 8.144 1.00 0.00 C ATOM 886 O LYS A 58 -9.193 14.372 8.058 1.00 0.00 O ATOM 887 CB LYS A 58 -6.189 15.373 8.027 1.00 0.00 C ATOM 888 CG LYS A 58 -5.957 16.728 8.673 1.00 0.00 C ATOM 889 CD LYS A 58 -4.515 16.890 9.126 1.00 0.00 C ATOM 890 CE LYS A 58 -4.304 16.328 10.523 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.287 17.400 11.556 1.00 0.00 N ATOM 0 H LYS A 58 -5.189 13.259 8.881 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.352 14.929 9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.226 14.937 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.742 15.513 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.208 17.518 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.623 16.843 9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.853 16.382 8.425 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.245 17.946 9.113 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.097 15.616 10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.363 15.778 10.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.141 16.976 12.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.514 18.066 11.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.194 17.909 11.544 1.00 0.00 H new ATOM 905 N MET A 59 -7.892 12.599 7.583 1.00 0.00 N ATOM 906 CA MET A 59 -8.924 11.909 6.817 1.00 0.00 C ATOM 907 C MET A 59 -10.125 11.578 7.698 1.00 0.00 C ATOM 908 O MET A 59 -10.135 11.880 8.891 1.00 0.00 O ATOM 909 CB MET A 59 -8.361 10.627 6.200 1.00 0.00 C ATOM 910 CG MET A 59 -7.795 10.823 4.803 1.00 0.00 C ATOM 911 SD MET A 59 -7.495 9.263 3.951 1.00 0.00 S ATOM 912 CE MET A 59 -6.432 8.432 5.129 1.00 0.00 C ATOM 0 H MET A 59 -7.006 12.098 7.644 1.00 0.00 H new ATOM 0 HA MET A 59 -9.253 12.574 6.018 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.578 10.235 6.849 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.149 9.875 6.162 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.488 11.426 4.216 1.00 0.00 H new ATOM 0 HG3 MET A 59 -6.862 11.382 4.868 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.318 7.387 4.842 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.454 8.914 5.140 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.876 8.489 6.123 1.00 0.00 H new ATOM 922 N LYS A 60 -11.137 10.957 7.102 1.00 0.00 N ATOM 923 CA LYS A 60 -12.343 10.584 7.831 1.00 0.00 C ATOM 924 C LYS A 60 -12.354 9.090 8.137 1.00 0.00 C ATOM 925 O LYS A 60 -11.356 8.398 7.935 1.00 0.00 O ATOM 926 CB LYS A 60 -13.588 10.959 7.025 1.00 0.00 C ATOM 927 CG LYS A 60 -13.530 12.355 6.429 1.00 0.00 C ATOM 928 CD LYS A 60 -14.920 12.912 6.176 1.00 0.00 C ATOM 929 CE LYS A 60 -15.498 12.393 4.868 1.00 0.00 C ATOM 930 NZ LYS A 60 -15.935 10.974 4.978 1.00 0.00 N ATOM 0 H LYS A 60 -11.146 10.701 6.115 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.350 11.130 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -13.721 10.235 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.464 10.884 7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.989 13.018 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.972 12.329 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.579 12.638 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.878 14.001 6.150 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -16.346 13.012 4.575 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -14.750 12.482 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.802 10.834 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.186 10.351 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.123 10.745 5.975 1.00 0.00 H new ATOM 944 N ASN A 61 -13.488 8.598 8.625 1.00 0.00 N ATOM 945 CA ASN A 61 -13.628 7.185 8.958 1.00 0.00 C ATOM 946 C ASN A 61 -13.700 6.333 7.694 1.00 0.00 C ATOM 947 O ASN A 61 -13.012 5.320 7.578 1.00 0.00 O ATOM 948 CB ASN A 61 -14.880 6.962 9.809 1.00 0.00 C ATOM 949 CG ASN A 61 -16.112 7.610 9.207 1.00 0.00 C ATOM 950 OD1 ASN A 61 -16.224 8.835 9.163 1.00 0.00 O ATOM 951 ND2 ASN A 61 -17.043 6.788 8.739 1.00 0.00 N ATOM 0 H ASN A 61 -14.323 9.157 8.799 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.750 6.883 9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -15.054 5.892 9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.713 7.364 10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.894 7.166 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.908 5.779 8.796 1.00 0.00 H new ATOM 958 N GLU A 62 -14.538 6.753 6.751 1.00 0.00 N ATOM 959 CA GLU A 62 -14.700 6.028 5.497 1.00 0.00 C ATOM 960 C GLU A 62 -13.450 6.153 4.631 1.00 0.00 C ATOM 961 O GLU A 62 -13.066 5.211 3.939 1.00 0.00 O ATOM 962 CB GLU A 62 -15.918 6.551 4.733 1.00 0.00 C ATOM 963 CG GLU A 62 -16.217 5.778 3.459 1.00 0.00 C ATOM 964 CD GLU A 62 -17.673 5.873 3.047 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.089 6.957 2.586 1.00 0.00 O ATOM 966 OE2 GLU A 62 -18.396 4.865 3.185 1.00 0.00 O ATOM 0 H GLU A 62 -15.114 7.591 6.832 1.00 0.00 H new ATOM 0 HA GLU A 62 -14.853 4.975 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.790 6.510 5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.756 7.599 4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -15.590 6.158 2.653 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.952 4.731 3.603 1.00 0.00 H new ATOM 973 N GLU A 63 -12.822 7.324 4.675 1.00 0.00 N ATOM 974 CA GLU A 63 -11.616 7.573 3.893 1.00 0.00 C ATOM 975 C GLU A 63 -10.527 6.560 4.236 1.00 0.00 C ATOM 976 O GLU A 63 -9.654 6.272 3.417 1.00 0.00 O ATOM 977 CB GLU A 63 -11.104 8.993 4.143 1.00 0.00 C ATOM 978 CG GLU A 63 -12.146 10.069 3.887 1.00 0.00 C ATOM 979 CD GLU A 63 -12.426 10.272 2.411 1.00 0.00 C ATOM 980 OE1 GLU A 63 -11.729 11.097 1.783 1.00 0.00 O ATOM 981 OE2 GLU A 63 -13.341 9.606 1.884 1.00 0.00 O ATOM 0 H GLU A 63 -13.128 8.114 5.243 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.869 7.466 2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.760 9.070 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.240 9.176 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.072 9.800 4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.806 11.009 4.321 1.00 0.00 H new ATOM 988 N ARG A 64 -10.586 6.025 5.451 1.00 0.00 N ATOM 989 CA ARG A 64 -9.604 5.046 5.903 1.00 0.00 C ATOM 990 C ARG A 64 -10.155 3.629 5.784 1.00 0.00 C ATOM 991 O ARG A 64 -9.399 2.667 5.653 1.00 0.00 O ATOM 992 CB ARG A 64 -9.200 5.329 7.351 1.00 0.00 C ATOM 993 CG ARG A 64 -8.444 6.635 7.528 1.00 0.00 C ATOM 994 CD ARG A 64 -8.181 6.932 8.996 1.00 0.00 C ATOM 995 NE ARG A 64 -9.205 7.802 9.570 1.00 0.00 N ATOM 996 CZ ARG A 64 -9.072 8.423 10.737 1.00 0.00 C ATOM 997 NH1 ARG A 64 -7.965 8.271 11.450 1.00 0.00 N ATOM 998 NH2 ARG A 64 -10.048 9.198 11.192 1.00 0.00 N ATOM 0 H ARG A 64 -11.303 6.253 6.140 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.724 5.129 5.265 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.096 5.351 7.972 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.581 4.509 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.497 6.584 6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.017 7.451 7.088 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.145 5.997 9.554 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.204 7.404 9.101 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.069 7.940 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.213 7.676 11.103 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.866 8.749 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.901 9.317 10.646 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.945 9.674 12.088 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.478 3.508 5.833 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.131 2.208 5.733 1.00 0.00 C ATOM 1014 C ARG A 65 -11.641 1.446 4.505 1.00 0.00 C ATOM 1015 O ARG A 65 -11.453 0.231 4.550 1.00 0.00 O ATOM 1016 CB ARG A 65 -13.649 2.380 5.667 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.421 1.147 6.110 1.00 0.00 C ATOM 1018 CD ARG A 65 -15.923 1.359 5.994 1.00 0.00 C ATOM 1019 NE ARG A 65 -16.676 0.366 6.756 1.00 0.00 N ATOM 1020 CZ ARG A 65 -17.987 0.432 6.955 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -18.688 1.439 6.450 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.601 -0.510 7.659 1.00 0.00 N ATOM 0 H ARG A 65 -12.118 4.294 5.941 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.876 1.632 6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.938 3.224 6.293 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.934 2.629 4.645 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.125 0.293 5.501 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.165 0.907 7.142 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.177 2.358 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.216 1.310 4.945 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.167 -0.421 7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.220 2.165 5.907 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.695 1.487 6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.066 -1.286 8.048 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.608 -0.458 7.811 1.00 0.00 H new ATOM 1036 N MET A 66 -11.436 2.170 3.409 1.00 0.00 N ATOM 1037 CA MET A 66 -10.967 1.562 2.169 1.00 0.00 C ATOM 1038 C MET A 66 -9.715 0.727 2.412 1.00 0.00 C ATOM 1039 O MET A 66 -9.497 -0.290 1.752 1.00 0.00 O ATOM 1040 CB MET A 66 -10.679 2.642 1.124 1.00 0.00 C ATOM 1041 CG MET A 66 -9.654 3.668 1.578 1.00 0.00 C ATOM 1042 SD MET A 66 -9.630 5.136 0.531 1.00 0.00 S ATOM 1043 CE MET A 66 -11.261 5.804 0.847 1.00 0.00 C ATOM 0 H MET A 66 -11.587 3.177 3.354 1.00 0.00 H new ATOM 0 HA MET A 66 -11.753 0.905 1.796 1.00 0.00 H new ATOM 0 HB2 MET A 66 -10.324 2.166 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 66 -11.609 3.154 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 66 -9.871 3.962 2.605 1.00 0.00 H new ATOM 0 HG3 MET A 66 -8.664 3.211 1.579 1.00 0.00 H new ATOM 0 HE1 MET A 66 -11.221 6.893 0.815 1.00 0.00 H new ATOM 0 HE2 MET A 66 -11.955 5.444 0.087 1.00 0.00 H new ATOM 0 HE3 MET A 66 -11.602 5.482 1.831 1.00 0.00 H new ATOM 1053 N TYR A 67 -8.895 1.161 3.363 1.00 0.00 N ATOM 1054 CA TYR A 67 -7.663 0.454 3.691 1.00 0.00 C ATOM 1055 C TYR A 67 -7.874 -0.489 4.872 1.00 0.00 C ATOM 1056 O TYR A 67 -7.239 -1.540 4.965 1.00 0.00 O ATOM 1057 CB TYR A 67 -6.549 1.450 4.014 1.00 0.00 C ATOM 1058 CG TYR A 67 -6.458 2.596 3.031 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -5.908 2.413 1.768 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -6.924 3.862 3.365 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -5.823 3.457 0.868 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -6.844 4.912 2.470 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.292 4.704 1.223 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.210 5.746 0.329 1.00 0.00 O ATOM 0 H TYR A 67 -9.061 1.999 3.920 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.372 -0.138 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.711 1.852 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.595 0.922 4.033 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.541 1.437 1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.356 4.028 4.341 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.391 3.297 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.211 5.890 2.745 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.112 6.013 0.054 1.00 0.00 H new ATOM 1074 N THR A 68 -8.773 -0.106 5.774 1.00 0.00 N ATOM 1075 CA THR A 68 -9.069 -0.916 6.949 1.00 0.00 C ATOM 1076 C THR A 68 -9.561 -2.303 6.552 1.00 0.00 C ATOM 1077 O THR A 68 -8.909 -3.309 6.835 1.00 0.00 O ATOM 1078 CB THR A 68 -10.130 -0.243 7.841 1.00 0.00 C ATOM 1079 OG1 THR A 68 -9.967 1.179 7.808 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.022 -0.738 9.276 1.00 0.00 C ATOM 0 H THR A 68 -9.308 0.760 5.713 1.00 0.00 H new ATOM 0 HA THR A 68 -8.139 -1.011 7.510 1.00 0.00 H new ATOM 0 HB THR A 68 -11.116 -0.504 7.456 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.646 1.599 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.781 -0.249 9.887 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.175 -1.817 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.033 -0.503 9.669 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.714 -2.350 5.894 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.294 -3.615 5.456 1.00 0.00 C ATOM 1090 C LEU A 69 -10.380 -4.316 4.456 1.00 0.00 C ATOM 1091 O LEU A 69 -10.173 -5.527 4.533 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.669 -3.379 4.829 1.00 0.00 C ATOM 1093 CG LEU A 69 -13.802 -3.050 5.801 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.841 -2.165 5.130 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -14.444 -4.326 6.325 1.00 0.00 C ATOM 0 H LEU A 69 -11.266 -1.527 5.652 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.406 -4.257 6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.584 -2.563 4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.947 -4.270 4.266 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.382 -2.505 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.640 -1.941 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.373 -1.236 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -15.256 -2.683 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.248 -4.072 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.849 -4.898 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.695 -4.923 6.845 1.00 0.00 H new ATOM 1107 N GLU A 70 -9.834 -3.546 3.520 1.00 0.00 N ATOM 1108 CA GLU A 70 -8.941 -4.094 2.506 1.00 0.00 C ATOM 1109 C GLU A 70 -7.806 -4.885 3.150 1.00 0.00 C ATOM 1110 O GLU A 70 -7.645 -6.078 2.896 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.367 -2.971 1.640 1.00 0.00 C ATOM 1112 CG GLU A 70 -7.355 -3.451 0.613 1.00 0.00 C ATOM 1113 CD GLU A 70 -7.924 -4.505 -0.317 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -7.902 -5.697 0.054 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.390 -4.137 -1.416 1.00 0.00 O ATOM 0 H GLU A 70 -9.994 -2.542 3.443 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.520 -4.770 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.185 -2.467 1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.894 -2.231 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.009 -2.601 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.485 -3.858 1.128 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.023 -4.210 3.985 1.00 0.00 N ATOM 1123 CA ALA A 71 -5.904 -4.849 4.667 1.00 0.00 C ATOM 1124 C ALA A 71 -6.383 -5.994 5.554 1.00 0.00 C ATOM 1125 O ALA A 71 -5.672 -6.979 5.752 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.135 -3.827 5.491 1.00 0.00 C ATOM 0 H ALA A 71 -7.143 -3.221 4.205 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.239 -5.264 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.302 -4.318 5.995 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.752 -3.045 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.799 -3.385 6.234 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.593 -5.857 6.086 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.168 -6.880 6.952 1.00 0.00 C ATOM 1134 C LYS A 72 -8.345 -8.194 6.198 1.00 0.00 C ATOM 1135 O LYS A 72 -7.791 -9.222 6.585 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.516 -6.411 7.504 1.00 0.00 C ATOM 1137 CG LYS A 72 -10.044 -7.275 8.635 1.00 0.00 C ATOM 1138 CD LYS A 72 -11.398 -6.788 9.124 1.00 0.00 C ATOM 1139 CE LYS A 72 -11.277 -5.472 9.878 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.384 -5.290 10.858 1.00 0.00 N ATOM 0 H LYS A 72 -8.194 -5.048 5.933 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.481 -7.047 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.417 -5.385 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.246 -6.400 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.128 -8.308 8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.334 -7.268 9.462 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.069 -6.662 8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.844 -7.541 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.321 -5.439 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.281 -4.645 9.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.265 -4.382 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.295 -5.296 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.365 -6.065 11.551 1.00 0.00 H new ATOM 1154 N ALA A 73 -9.120 -8.152 5.119 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.367 -9.339 4.309 1.00 0.00 C ATOM 1156 C ALA A 73 -8.058 -10.001 3.892 1.00 0.00 C ATOM 1157 O ALA A 73 -7.946 -11.227 3.882 1.00 0.00 O ATOM 1158 CB ALA A 73 -10.193 -8.979 3.083 1.00 0.00 C ATOM 0 H ALA A 73 -9.588 -7.309 4.786 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.927 -10.052 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.370 -9.875 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.148 -8.559 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.654 -8.245 2.484 1.00 0.00 H new ATOM 1164 N LEU A 74 -7.070 -9.182 3.547 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.768 -9.688 3.127 1.00 0.00 C ATOM 1166 C LEU A 74 -4.979 -10.216 4.321 1.00 0.00 C ATOM 1167 O LEU A 74 -4.118 -11.083 4.174 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.973 -8.587 2.423 1.00 0.00 C ATOM 1169 CG LEU A 74 -5.339 -8.324 0.962 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -4.501 -7.188 0.398 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -5.157 -9.587 0.132 1.00 0.00 C ATOM 0 H LEU A 74 -7.146 -8.165 3.550 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.933 -10.510 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.102 -7.660 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.915 -8.843 2.471 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.388 -8.031 0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.775 -7.015 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.681 -6.282 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.445 -7.452 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.422 -9.382 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.117 -9.910 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.801 -10.375 0.522 1.00 0.00 H new ATOM 1183 N ALA A 75 -5.281 -9.690 5.503 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.603 -10.111 6.723 1.00 0.00 C ATOM 1185 C ALA A 75 -5.083 -11.488 7.169 1.00 0.00 C ATOM 1186 O ALA A 75 -4.359 -12.217 7.847 1.00 0.00 O ATOM 1187 CB ALA A 75 -4.823 -9.090 7.829 1.00 0.00 C ATOM 0 H ALA A 75 -5.991 -8.971 5.642 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.536 -10.177 6.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.311 -9.418 8.734 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.426 -8.124 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.890 -8.996 8.030 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.307 -11.837 6.786 1.00 0.00 N ATOM 1194 CA GLU A 76 -6.882 -13.126 7.149 1.00 0.00 C ATOM 1195 C GLU A 76 -6.678 -14.147 6.033 1.00 0.00 C ATOM 1196 O GLU A 76 -6.293 -15.289 6.286 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.375 -12.977 7.451 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.701 -11.781 8.330 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.921 -12.013 9.201 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -11.035 -12.115 8.646 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -9.761 -12.093 10.437 1.00 0.00 O ATOM 0 H GLU A 76 -6.919 -11.245 6.225 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.371 -13.483 8.043 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.920 -12.886 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.731 -13.884 7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.844 -11.556 8.964 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.869 -10.907 7.701 1.00 0.00 H new ATOM 1208 N GLU A 77 -6.938 -13.727 4.799 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.784 -14.605 3.645 1.00 0.00 C ATOM 1210 C GLU A 77 -5.356 -15.134 3.551 1.00 0.00 C ATOM 1211 O GLU A 77 -5.138 -16.326 3.335 1.00 0.00 O ATOM 1212 CB GLU A 77 -7.151 -13.862 2.359 1.00 0.00 C ATOM 1213 CG GLU A 77 -6.949 -14.689 1.100 1.00 0.00 C ATOM 1214 CD GLU A 77 -7.863 -14.261 -0.032 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -7.525 -13.284 -0.731 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -8.917 -14.905 -0.218 1.00 0.00 O ATOM 0 H GLU A 77 -7.256 -12.785 4.573 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.459 -15.452 3.772 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.194 -13.549 2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.550 -12.956 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.912 -14.604 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.127 -15.740 1.328 1.00 0.00 H new ATOM 1223 N GLN A 78 -4.388 -14.238 3.715 1.00 0.00 N ATOM 1224 CA GLN A 78 -2.980 -14.614 3.647 1.00 0.00 C ATOM 1225 C GLN A 78 -2.685 -15.788 4.575 1.00 0.00 C ATOM 1226 O GLN A 78 -1.796 -16.596 4.308 1.00 0.00 O ATOM 1227 CB GLN A 78 -2.094 -13.423 4.013 1.00 0.00 C ATOM 1228 CG GLN A 78 -1.730 -12.547 2.825 1.00 0.00 C ATOM 1229 CD GLN A 78 -0.383 -11.871 2.990 1.00 0.00 C ATOM 1230 OE1 GLN A 78 0.379 -12.192 3.902 1.00 0.00 O ATOM 1231 NE2 GLN A 78 -0.083 -10.927 2.105 1.00 0.00 N ATOM 0 H GLN A 78 -4.552 -13.248 3.896 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.760 -14.919 2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.607 -12.815 4.758 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.179 -13.791 4.477 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.719 -13.155 1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.500 -11.787 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.745 -10.693 1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.809 -10.436 2.165 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.436 -15.875 5.668 1.00 0.00 N ATOM 1241 CA LYS A 79 -3.257 -16.949 6.637 1.00 0.00 C ATOM 1242 C LYS A 79 -3.832 -18.260 6.109 1.00 0.00 C ATOM 1243 O LYS A 79 -3.251 -19.327 6.305 1.00 0.00 O ATOM 1244 CB LYS A 79 -3.926 -16.584 7.964 1.00 0.00 C ATOM 1245 CG LYS A 79 -3.413 -15.288 8.567 1.00 0.00 C ATOM 1246 CD LYS A 79 -3.966 -15.067 9.965 1.00 0.00 C ATOM 1247 CE LYS A 79 -3.104 -14.097 10.758 1.00 0.00 C ATOM 1248 NZ LYS A 79 -3.525 -12.683 10.550 1.00 0.00 N ATOM 0 H LYS A 79 -4.175 -15.213 5.905 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.188 -17.082 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.002 -16.502 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.768 -17.394 8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.324 -15.309 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.694 -14.452 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -4.983 -14.681 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.021 -16.020 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.164 -14.341 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.061 -14.213 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.724 -12.050 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.835 -12.554 9.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.311 -12.457 11.193 1.00 0.00 H new ATOM 1262 N ARG A 80 -4.975 -18.171 5.437 1.00 0.00 N ATOM 1263 CA ARG A 80 -5.628 -19.350 4.881 1.00 0.00 C ATOM 1264 C ARG A 80 -4.755 -20.001 3.812 1.00 0.00 C ATOM 1265 O ARG A 80 -4.810 -21.214 3.605 1.00 0.00 O ATOM 1266 CB ARG A 80 -6.986 -18.973 4.285 1.00 0.00 C ATOM 1267 CG ARG A 80 -7.909 -18.272 5.268 1.00 0.00 C ATOM 1268 CD ARG A 80 -8.548 -19.258 6.234 1.00 0.00 C ATOM 1269 NE ARG A 80 -9.291 -20.303 5.536 1.00 0.00 N ATOM 1270 CZ ARG A 80 -10.469 -20.104 4.956 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -11.034 -18.905 4.988 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -11.084 -21.106 4.340 1.00 0.00 N ATOM 0 H ARG A 80 -5.468 -17.295 5.264 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.779 -20.066 5.689 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.828 -18.325 3.423 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.476 -19.875 3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.346 -17.525 5.828 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.688 -17.740 4.721 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -7.774 -19.714 6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.219 -18.724 6.907 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.883 -21.237 5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.564 -18.132 5.459 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -11.939 -18.756 4.542 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -10.652 -22.030 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -11.989 -20.953 3.895 1.00 0.00 H new ATOM 1286 N LEU A 81 -3.951 -19.188 3.136 1.00 0.00 N ATOM 1287 CA LEU A 81 -3.066 -19.685 2.088 1.00 0.00 C ATOM 1288 C LEU A 81 -1.894 -20.457 2.686 1.00 0.00 C ATOM 1289 O LEU A 81 -1.452 -21.462 2.130 1.00 0.00 O ATOM 1290 CB LEU A 81 -2.546 -18.523 1.239 1.00 0.00 C ATOM 1291 CG LEU A 81 -3.434 -18.098 0.069 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -4.727 -17.480 0.578 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -2.694 -17.122 -0.834 1.00 0.00 C ATOM 0 H LEU A 81 -3.893 -18.182 3.295 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.638 -20.363 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.399 -17.661 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.567 -18.796 0.846 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.684 -18.984 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.346 -17.183 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.265 -18.209 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.497 -16.604 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.341 -16.830 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.415 -16.237 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.796 -17.599 -1.226 1.00 0.00 H new ATOM 1305 N ASN A 82 -1.396 -19.981 3.822 1.00 0.00 N ATOM 1306 CA ASN A 82 -0.276 -20.627 4.497 1.00 0.00 C ATOM 1307 C ASN A 82 -0.681 -21.104 5.888 1.00 0.00 C ATOM 1308 O ASN A 82 -0.245 -20.566 6.907 1.00 0.00 O ATOM 1309 CB ASN A 82 0.909 -19.665 4.599 1.00 0.00 C ATOM 1310 CG ASN A 82 0.472 -18.233 4.838 1.00 0.00 C ATOM 1311 OD1 ASN A 82 -0.173 -17.928 5.842 1.00 0.00 O ATOM 1312 ND2 ASN A 82 0.821 -17.346 3.913 1.00 0.00 N ATOM 0 H ASN A 82 -1.750 -19.150 4.295 1.00 0.00 H new ATOM 0 HA ASN A 82 0.020 -21.495 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.563 -19.983 5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.494 -19.715 3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 82 0.554 -16.367 4.019 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.356 -17.644 3.097 1.00 0.00 H new ATOM 1319 N PRO A 83 -1.534 -22.138 5.935 1.00 0.00 N ATOM 1320 CA PRO A 83 -2.015 -22.711 7.196 1.00 0.00 C ATOM 1321 C PRO A 83 -0.918 -23.454 7.951 1.00 0.00 C ATOM 1322 O PRO A 83 -0.941 -23.533 9.179 1.00 0.00 O ATOM 1323 CB PRO A 83 -3.110 -23.682 6.749 1.00 0.00 C ATOM 1324 CG PRO A 83 -2.744 -24.048 5.351 1.00 0.00 C ATOM 1325 CD PRO A 83 -2.093 -22.828 4.761 1.00 0.00 C ATOM 0 HA PRO A 83 -2.364 -21.943 7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.146 -24.561 7.392 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.094 -23.216 6.791 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.064 -24.899 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.626 -24.335 4.779 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.316 -23.094 4.044 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.814 -22.203 4.233 1.00 0.00 H new ATOM 1333 N ASP A 84 0.040 -23.998 7.208 1.00 0.00 N ATOM 1334 CA ASP A 84 1.146 -24.735 7.808 1.00 0.00 C ATOM 1335 C ASP A 84 0.640 -25.967 8.550 1.00 0.00 C ATOM 1336 O ASP A 84 1.271 -26.437 9.498 1.00 0.00 O ATOM 1337 CB ASP A 84 1.928 -23.833 8.765 1.00 0.00 C ATOM 1338 CG ASP A 84 3.356 -24.301 8.965 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.022 -24.619 7.958 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.808 -24.349 10.128 1.00 0.00 O ATOM 0 H ASP A 84 0.073 -23.942 6.190 1.00 0.00 H new ATOM 0 HA ASP A 84 1.808 -25.063 7.007 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.934 -22.815 8.377 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.420 -23.804 9.729 1.00 0.00 H new ATOM 1345 N CYS A 85 -0.503 -26.486 8.114 1.00 0.00 N ATOM 1346 CA CYS A 85 -1.095 -27.664 8.739 1.00 0.00 C ATOM 1347 C CYS A 85 -0.646 -28.938 8.031 1.00 0.00 C ATOM 1348 O CYS A 85 -0.594 -30.010 8.635 1.00 0.00 O ATOM 1349 CB CYS A 85 -2.621 -27.564 8.717 1.00 0.00 C ATOM 1350 SG CYS A 85 -3.334 -27.501 7.056 1.00 0.00 S ATOM 0 H CYS A 85 -1.038 -26.110 7.331 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.755 -27.707 9.774 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.038 -28.420 9.247 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.924 -26.671 9.265 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.053 -28.600 6.421 1.00 0.00 H new ATOM 1356 N TRP A 86 -0.325 -28.815 6.749 1.00 0.00 N ATOM 1357 CA TRP A 86 0.118 -29.958 5.958 1.00 0.00 C ATOM 1358 C TRP A 86 1.638 -30.078 5.979 1.00 0.00 C ATOM 1359 O TRP A 86 2.294 -29.971 4.943 1.00 0.00 O ATOM 1360 CB TRP A 86 -0.376 -29.829 4.516 1.00 0.00 C ATOM 1361 CG TRP A 86 -1.791 -30.285 4.330 1.00 0.00 C ATOM 1362 CD1 TRP A 86 -2.719 -30.499 5.309 1.00 0.00 C ATOM 1363 CD2 TRP A 86 -2.438 -30.587 3.089 1.00 0.00 C ATOM 1364 NE1 TRP A 86 -3.904 -30.914 4.751 1.00 0.00 N ATOM 1365 CE2 TRP A 86 -3.758 -30.976 3.391 1.00 0.00 C ATOM 1366 CE3 TRP A 86 -2.032 -30.564 1.752 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 -4.671 -31.339 2.404 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 -2.939 -30.926 0.774 1.00 0.00 C ATOM 1369 CH2 TRP A 86 -4.246 -31.308 1.104 1.00 0.00 C ATOM 0 H TRP A 86 -0.363 -27.935 6.234 1.00 0.00 H new ATOM 0 HA TRP A 86 -0.305 -30.860 6.400 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -0.293 -28.788 4.203 1.00 0.00 H new ATOM 0 HB3 TRP A 86 0.275 -30.411 3.863 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -2.547 -30.362 6.366 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -4.755 -31.139 5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -1.027 -30.269 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -5.679 -31.634 2.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -2.635 -30.914 -0.262 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -4.932 -31.583 0.316 1.00 0.00 H new ATOM 1380 N LYS A 87 2.193 -30.301 7.166 1.00 0.00 N ATOM 1381 CA LYS A 87 3.636 -30.437 7.322 1.00 0.00 C ATOM 1382 C LYS A 87 4.099 -31.829 6.903 1.00 0.00 C ATOM 1383 O LYS A 87 5.191 -31.992 6.358 1.00 0.00 O ATOM 1384 CB LYS A 87 4.040 -30.170 8.774 1.00 0.00 C ATOM 1385 CG LYS A 87 5.493 -30.496 9.071 1.00 0.00 C ATOM 1386 CD LYS A 87 6.436 -29.690 8.193 1.00 0.00 C ATOM 1387 CE LYS A 87 7.891 -29.940 8.561 1.00 0.00 C ATOM 1388 NZ LYS A 87 8.298 -29.166 9.766 1.00 0.00 N ATOM 0 H LYS A 87 1.665 -30.391 8.034 1.00 0.00 H new ATOM 0 HA LYS A 87 4.117 -29.703 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.857 -29.121 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.402 -30.758 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.706 -30.290 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.668 -31.560 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.274 -29.952 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.211 -28.628 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.042 -31.004 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.530 -29.668 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.295 -29.363 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.178 -28.149 9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.705 -29.444 10.574 1.00 0.00 H new TER 1402 LYS A 87