USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 484 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 59 CYS SG : rot 171:sc= -0.876! USER MOD Set 1.2: A 62 CYS SG : rot 65:sc= -0.252 USER MOD Set 2.1: A 34 SER OG : rot 155:sc= 0.369 USER MOD Set 2.2: A 41 TYR OH : rot -49:sc= -0.643 USER MOD Set 3.1: A 28 LYS NZ :NH3+ -164:sc=-0.00844 (180deg=-0.231) USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 11 ASN :FLIP amide:sc= -2.24! C(o=-5.2!,f=-2.1!) USER MOD Set 4.2: A 53 LYS NZ :NH3+ -109:sc= 0.161 (180deg=-0.0221) USER MOD Set 5.1: A 7 CYS SG : rot 138:sc= 1.53 USER MOD Set 5.2: A 10 CYS SG : rot -95:sc= -0.311! USER MOD Set 5.3: A 24 CYS SG : rot -64:sc= 1.4 USER MOD Set 5.4: A 27 CYS SG : rot 143:sc= -2.86! USER MOD Set 5.5: A 54 ASN : amide:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -76:sc= 0.888 USER MOD Single : A 18 HIS : no HE2:sc= -5.75! C(o=-5.7!,f=-9.3!) USER MOD Single : A 19 TYR OH : rot 150:sc= -3.62 USER MOD Single : A 23 SER OG : rot 140:sc= -5.39! USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 38 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.17) USER MOD Single : A 39 ASN :FLIP amide:sc= -7.01! C(o=-10!,f=-7!) USER MOD Single : A 42 MET CE :methyl -171:sc=-3.58e-05 (180deg=-0.177) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.505 USER MOD Single : A 60 GLN : amide:sc= -5.92! C(o=-5.9!,f=-8.5!) USER MOD Single : A 66 LYS NZ :NH3+ -139:sc=-0.00832 (180deg=-0.312) USER MOD Single : A 67 CYS SG : rot 150:sc= -1.06 USER MOD Single : A 68 TYR OH : rot 143:sc= -2.47! USER MOD Single : A 72 MET CE :methyl 164:sc= -0.473 (180deg=-0.879) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -150:sc= -0.0838 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 71 N ARG A 5 -8.579 -12.077 -14.163 1.00 0.00 N ATOM 72 CA ARG A 5 -7.961 -10.783 -13.743 1.00 0.00 C ATOM 73 C ARG A 5 -7.281 -10.966 -12.402 1.00 0.00 C ATOM 74 O ARG A 5 -7.411 -12.002 -11.781 1.00 0.00 O ATOM 75 CB ARG A 5 -9.067 -9.712 -13.652 1.00 0.00 C ATOM 76 CG ARG A 5 -10.137 -9.991 -14.766 1.00 0.00 C ATOM 77 CD ARG A 5 -10.827 -8.673 -15.248 1.00 0.00 C ATOM 78 NE ARG A 5 -12.240 -8.678 -14.779 1.00 0.00 N ATOM 79 CZ ARG A 5 -13.087 -7.822 -15.284 1.00 0.00 C ATOM 80 NH1 ARG A 5 -12.809 -6.549 -15.220 1.00 0.00 N ATOM 81 NH2 ARG A 5 -14.182 -8.268 -15.834 1.00 0.00 N ATOM 0 HA ARG A 5 -7.214 -10.463 -14.470 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -9.533 -9.734 -12.667 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.640 -8.717 -13.780 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -9.660 -10.483 -15.614 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.892 -10.678 -14.382 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.300 -7.804 -14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -10.789 -8.602 -16.335 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.544 -9.344 -14.069 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.942 -6.238 -14.781 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.458 -5.865 -15.609 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.365 -9.271 -15.865 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.855 -7.614 -16.234 1.00 0.00 H new ATOM 95 N TYR A 6 -6.564 -9.968 -11.966 1.00 0.00 N ATOM 96 CA TYR A 6 -5.864 -10.098 -10.648 1.00 0.00 C ATOM 97 C TYR A 6 -5.623 -8.731 -10.002 1.00 0.00 C ATOM 98 O TYR A 6 -5.991 -7.714 -10.557 1.00 0.00 O ATOM 99 CB TYR A 6 -4.495 -10.773 -10.920 1.00 0.00 C ATOM 100 CG TYR A 6 -4.619 -11.775 -12.064 1.00 0.00 C ATOM 101 CD1 TYR A 6 -5.013 -13.068 -11.813 1.00 0.00 C ATOM 102 CD2 TYR A 6 -4.309 -11.410 -13.359 1.00 0.00 C ATOM 103 CE1 TYR A 6 -5.091 -13.985 -12.830 1.00 0.00 C ATOM 104 CE2 TYR A 6 -4.383 -12.332 -14.380 1.00 0.00 C ATOM 105 CZ TYR A 6 -4.772 -13.627 -14.124 1.00 0.00 C ATOM 106 OH TYR A 6 -4.825 -14.554 -15.143 1.00 0.00 O ATOM 0 H TYR A 6 -6.431 -9.081 -12.452 1.00 0.00 H new ATOM 0 HA TYR A 6 -6.481 -10.684 -9.966 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.751 -10.016 -11.169 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -4.146 -11.279 -10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.264 -13.365 -10.805 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.007 -10.395 -13.573 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.405 -14.996 -12.616 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.134 -12.036 -15.388 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.569 -14.127 -15.987 1.00 0.00 H new ATOM 116 N CYS A 7 -4.999 -8.721 -8.822 1.00 0.00 N ATOM 117 CA CYS A 7 -4.750 -7.421 -8.171 1.00 0.00 C ATOM 118 C CYS A 7 -4.118 -6.469 -9.148 1.00 0.00 C ATOM 119 O CYS A 7 -2.969 -6.612 -9.517 1.00 0.00 O ATOM 120 CB CYS A 7 -3.823 -7.565 -6.943 1.00 0.00 C ATOM 121 SG CYS A 7 -3.619 -6.048 -5.948 1.00 0.00 S ATOM 0 H CYS A 7 -4.671 -9.544 -8.316 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.713 -7.035 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.216 -8.353 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.841 -7.892 -7.284 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.654 -6.350 -4.684 1.00 0.00 H new ATOM 126 N ALA A 8 -4.880 -5.510 -9.547 1.00 0.00 N ATOM 127 CA ALA A 8 -4.362 -4.524 -10.504 1.00 0.00 C ATOM 128 C ALA A 8 -3.283 -3.689 -9.854 1.00 0.00 C ATOM 129 O ALA A 8 -2.780 -2.752 -10.442 1.00 0.00 O ATOM 130 CB ALA A 8 -5.519 -3.596 -10.861 1.00 0.00 C ATOM 0 H ALA A 8 -5.845 -5.366 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.952 -5.029 -11.379 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.177 -2.845 -11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.327 -4.176 -11.307 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.881 -3.103 -9.959 1.00 0.00 H new ATOM 136 N VAL A 9 -2.943 -4.052 -8.639 1.00 0.00 N ATOM 137 CA VAL A 9 -1.879 -3.284 -7.891 1.00 0.00 C ATOM 138 C VAL A 9 -0.678 -4.091 -7.352 1.00 0.00 C ATOM 139 O VAL A 9 0.443 -3.645 -7.494 1.00 0.00 O ATOM 140 CB VAL A 9 -2.589 -2.663 -6.690 1.00 0.00 C ATOM 141 CG1 VAL A 9 -1.583 -1.925 -5.794 1.00 0.00 C ATOM 142 CG2 VAL A 9 -3.615 -1.689 -7.201 1.00 0.00 C ATOM 0 H VAL A 9 -3.348 -4.839 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.442 -2.587 -8.606 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.065 -3.447 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.106 -1.488 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.831 -2.628 -5.436 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.098 -1.134 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.135 -1.233 -6.359 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.121 -0.913 -7.785 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.334 -2.214 -7.830 1.00 0.00 H new ATOM 152 N CYS A 10 -0.889 -5.242 -6.748 1.00 0.00 N ATOM 153 CA CYS A 10 0.334 -5.978 -6.227 1.00 0.00 C ATOM 154 C CYS A 10 0.241 -7.512 -6.014 1.00 0.00 C ATOM 155 O CYS A 10 1.103 -8.235 -6.474 1.00 0.00 O ATOM 156 CB CYS A 10 0.588 -5.393 -4.836 1.00 0.00 C ATOM 157 SG CYS A 10 -0.492 -6.001 -3.496 1.00 0.00 S ATOM 0 H CYS A 10 -1.793 -5.689 -6.595 1.00 0.00 H new ATOM 0 HA CYS A 10 1.096 -5.845 -6.994 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.623 -5.598 -4.562 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.483 -4.310 -4.896 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.495 -5.188 -3.344 1.00 0.00 H new ATOM 162 N ASN A 11 -0.782 -7.995 -5.343 1.00 0.00 N ATOM 163 CA ASN A 11 -0.860 -9.450 -5.124 1.00 0.00 C ATOM 164 C ASN A 11 -1.214 -10.222 -6.363 1.00 0.00 C ATOM 165 O ASN A 11 -0.386 -10.446 -7.225 1.00 0.00 O ATOM 166 CB ASN A 11 -1.922 -9.706 -4.029 1.00 0.00 C ATOM 167 CG ASN A 11 -2.105 -11.215 -3.833 1.00 0.00 C ATOM 168 OD1 ASN A 11 -1.232 -12.032 -4.354 1.00 0.00 O flip ATOM 169 ND2 ASN A 11 -3.044 -11.661 -3.204 1.00 0.00 N flip ATOM 0 H ASN A 11 -1.546 -7.445 -4.950 1.00 0.00 H new ATOM 0 HA ASN A 11 0.127 -9.800 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.612 -9.242 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.870 -9.248 -4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.730 -11.027 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.146 -12.669 -3.086 1.00 0.00 H new ATOM 176 N ASP A 12 -2.429 -10.605 -6.433 1.00 0.00 N ATOM 177 CA ASP A 12 -2.882 -11.373 -7.600 1.00 0.00 C ATOM 178 C ASP A 12 -4.390 -11.577 -7.532 1.00 0.00 C ATOM 179 O ASP A 12 -5.112 -10.662 -7.198 1.00 0.00 O ATOM 180 CB ASP A 12 -2.173 -12.758 -7.598 1.00 0.00 C ATOM 181 CG ASP A 12 -2.119 -13.302 -9.030 1.00 0.00 C ATOM 182 OD1 ASP A 12 -3.093 -13.931 -9.411 1.00 0.00 O ATOM 183 OD2 ASP A 12 -1.105 -13.057 -9.663 1.00 0.00 O ATOM 0 H ASP A 12 -3.142 -10.421 -5.727 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.637 -10.829 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.165 -12.663 -7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.710 -13.453 -6.953 1.00 0.00 H new ATOM 188 N TYR A 13 -4.849 -12.786 -7.828 1.00 0.00 N ATOM 189 CA TYR A 13 -6.321 -13.031 -7.776 1.00 0.00 C ATOM 190 C TYR A 13 -6.947 -12.321 -6.584 1.00 0.00 C ATOM 191 O TYR A 13 -6.831 -12.753 -5.453 1.00 0.00 O ATOM 192 CB TYR A 13 -6.612 -14.528 -7.653 1.00 0.00 C ATOM 193 CG TYR A 13 -5.683 -15.350 -8.565 1.00 0.00 C ATOM 194 CD1 TYR A 13 -4.448 -15.759 -8.106 1.00 0.00 C ATOM 195 CD2 TYR A 13 -6.102 -15.773 -9.824 1.00 0.00 C ATOM 196 CE1 TYR A 13 -3.648 -16.579 -8.875 1.00 0.00 C ATOM 197 CE2 TYR A 13 -5.302 -16.596 -10.585 1.00 0.00 C ATOM 198 CZ TYR A 13 -4.068 -17.003 -10.121 1.00 0.00 C ATOM 199 OH TYR A 13 -3.266 -17.821 -10.889 1.00 0.00 O ATOM 0 H TYR A 13 -4.276 -13.586 -8.095 1.00 0.00 H new ATOM 0 HA TYR A 13 -6.750 -12.643 -8.700 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.482 -14.843 -6.618 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.651 -14.723 -7.917 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.104 -15.434 -7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.060 -15.454 -10.206 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.685 -16.892 -8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.644 -16.926 -11.555 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.719 -18.022 -11.735 1.00 0.00 H new ATOM 209 N ALA A 14 -7.589 -11.255 -6.876 1.00 0.00 N ATOM 210 CA ALA A 14 -8.245 -10.463 -5.815 1.00 0.00 C ATOM 211 C ALA A 14 -9.466 -11.186 -5.258 1.00 0.00 C ATOM 212 O ALA A 14 -10.212 -11.808 -5.987 1.00 0.00 O ATOM 213 CB ALA A 14 -8.677 -9.133 -6.441 1.00 0.00 C ATOM 0 H ALA A 14 -7.695 -10.883 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.551 -10.309 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.167 -8.518 -5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.801 -8.609 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.371 -9.325 -7.260 1.00 0.00 H new ATOM 219 N SER A 15 -9.644 -11.089 -3.966 1.00 0.00 N ATOM 220 CA SER A 15 -10.805 -11.761 -3.329 1.00 0.00 C ATOM 221 C SER A 15 -12.087 -11.523 -4.119 1.00 0.00 C ATOM 222 O SER A 15 -12.972 -12.355 -4.130 1.00 0.00 O ATOM 223 CB SER A 15 -10.984 -11.181 -1.916 1.00 0.00 C ATOM 224 OG SER A 15 -9.896 -11.720 -1.178 1.00 0.00 O ATOM 0 H SER A 15 -9.035 -10.574 -3.330 1.00 0.00 H new ATOM 0 HA SER A 15 -10.614 -12.834 -3.298 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.957 -10.091 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.941 -11.472 -1.484 1.00 0.00 H new ATOM 0 HG SER A 15 -9.934 -11.395 -0.254 1.00 0.00 H new ATOM 230 N GLY A 16 -12.169 -10.391 -4.766 1.00 0.00 N ATOM 231 CA GLY A 16 -13.398 -10.095 -5.561 1.00 0.00 C ATOM 232 C GLY A 16 -13.509 -8.597 -5.845 1.00 0.00 C ATOM 233 O GLY A 16 -12.920 -7.787 -5.160 1.00 0.00 O ATOM 0 H GLY A 16 -11.450 -9.667 -4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.372 -10.647 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.280 -10.434 -5.017 1.00 0.00 H new ATOM 237 N TYR A 17 -14.265 -8.262 -6.858 1.00 0.00 N ATOM 238 CA TYR A 17 -14.427 -6.828 -7.200 1.00 0.00 C ATOM 239 C TYR A 17 -14.753 -6.011 -5.946 1.00 0.00 C ATOM 240 O TYR A 17 -15.801 -6.173 -5.352 1.00 0.00 O ATOM 241 CB TYR A 17 -15.594 -6.702 -8.240 1.00 0.00 C ATOM 242 CG TYR A 17 -15.158 -5.811 -9.418 1.00 0.00 C ATOM 243 CD1 TYR A 17 -14.108 -6.187 -10.231 1.00 0.00 C ATOM 244 CD2 TYR A 17 -15.808 -4.618 -9.676 1.00 0.00 C ATOM 245 CE1 TYR A 17 -13.713 -5.385 -11.282 1.00 0.00 C ATOM 246 CE2 TYR A 17 -15.413 -3.817 -10.727 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.363 -4.195 -11.539 1.00 0.00 C ATOM 248 OH TYR A 17 -13.969 -3.394 -12.590 1.00 0.00 O ATOM 0 H TYR A 17 -14.771 -8.916 -7.455 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.499 -6.442 -7.622 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.874 -7.690 -8.605 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -16.476 -6.278 -7.760 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.591 -7.117 -10.043 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -16.632 -4.311 -9.049 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.888 -5.691 -11.909 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -15.929 -2.887 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.145 -2.922 -12.350 1.00 0.00 H new ATOM 258 N HIS A 18 -13.840 -5.147 -5.572 1.00 0.00 N ATOM 259 CA HIS A 18 -14.059 -4.297 -4.358 1.00 0.00 C ATOM 260 C HIS A 18 -14.333 -2.866 -4.764 1.00 0.00 C ATOM 261 O HIS A 18 -15.408 -2.343 -4.548 1.00 0.00 O ATOM 262 CB HIS A 18 -12.773 -4.324 -3.516 1.00 0.00 C ATOM 263 CG HIS A 18 -12.374 -5.775 -3.244 1.00 0.00 C ATOM 264 ND1 HIS A 18 -11.240 -6.258 -3.458 1.00 0.00 N ATOM 265 CD2 HIS A 18 -13.129 -6.813 -2.733 1.00 0.00 C ATOM 266 CE1 HIS A 18 -11.195 -7.489 -3.138 1.00 0.00 C ATOM 267 NE2 HIS A 18 -12.358 -7.933 -2.662 1.00 0.00 N ATOM 0 H HIS A 18 -12.954 -4.993 -6.054 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.910 -4.680 -3.794 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -11.970 -3.807 -4.042 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.930 -3.796 -2.575 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.453 -5.733 -3.840 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.166 -6.747 -2.437 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.314 -8.105 -3.241 1.00 0.00 H new ATOM 275 N TYR A 19 -13.345 -2.255 -5.348 1.00 0.00 N ATOM 276 CA TYR A 19 -13.497 -0.850 -5.790 1.00 0.00 C ATOM 277 C TYR A 19 -14.108 -0.819 -7.187 1.00 0.00 C ATOM 278 O TYR A 19 -15.310 -0.762 -7.352 1.00 0.00 O ATOM 279 CB TYR A 19 -12.067 -0.225 -5.828 1.00 0.00 C ATOM 280 CG TYR A 19 -11.798 0.467 -4.496 1.00 0.00 C ATOM 281 CD1 TYR A 19 -11.973 -0.217 -3.324 1.00 0.00 C ATOM 282 CD2 TYR A 19 -11.459 1.791 -4.446 1.00 0.00 C ATOM 283 CE1 TYR A 19 -11.819 0.422 -2.118 1.00 0.00 C ATOM 284 CE2 TYR A 19 -11.321 2.426 -3.238 1.00 0.00 C ATOM 285 CZ TYR A 19 -11.498 1.749 -2.074 1.00 0.00 C ATOM 286 OH TYR A 19 -11.356 2.390 -0.879 1.00 0.00 O ATOM 0 H TYR A 19 -12.434 -2.673 -5.538 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.147 -0.294 -5.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.321 -0.999 -6.008 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.989 0.490 -6.647 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.234 -1.265 -3.347 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -11.299 2.339 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.953 -0.128 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -11.069 3.476 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 19 -10.703 3.115 -0.972 1.00 0.00 H new ATOM 296 N GLY A 20 -13.254 -0.856 -8.157 1.00 0.00 N ATOM 297 CA GLY A 20 -13.709 -0.836 -9.576 1.00 0.00 C ATOM 298 C GLY A 20 -12.761 -1.711 -10.365 1.00 0.00 C ATOM 299 O GLY A 20 -12.588 -1.555 -11.558 1.00 0.00 O ATOM 0 H GLY A 20 -12.243 -0.900 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.731 -1.206 -9.657 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.707 0.182 -9.966 1.00 0.00 H new ATOM 303 N VAL A 21 -12.162 -2.627 -9.655 1.00 0.00 N ATOM 304 CA VAL A 21 -11.207 -3.552 -10.286 1.00 0.00 C ATOM 305 C VAL A 21 -10.969 -4.753 -9.394 1.00 0.00 C ATOM 306 O VAL A 21 -11.302 -4.746 -8.226 1.00 0.00 O ATOM 307 CB VAL A 21 -9.829 -2.818 -10.439 1.00 0.00 C ATOM 308 CG1 VAL A 21 -9.848 -1.905 -11.683 1.00 0.00 C ATOM 309 CG2 VAL A 21 -9.511 -1.973 -9.132 1.00 0.00 C ATOM 0 H VAL A 21 -12.302 -2.768 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.611 -3.869 -11.247 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.044 -3.563 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.886 -1.401 -11.779 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.033 -2.507 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.638 -1.162 -11.577 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.552 -1.468 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.295 -1.232 -8.978 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.467 -2.639 -8.270 1.00 0.00 H new ATOM 319 N TRP A 22 -10.396 -5.761 -9.965 1.00 0.00 N ATOM 320 CA TRP A 22 -10.117 -6.974 -9.174 1.00 0.00 C ATOM 321 C TRP A 22 -8.918 -6.671 -8.302 1.00 0.00 C ATOM 322 O TRP A 22 -7.842 -7.137 -8.567 1.00 0.00 O ATOM 323 CB TRP A 22 -9.754 -8.120 -10.144 1.00 0.00 C ATOM 324 CG TRP A 22 -11.006 -8.586 -10.883 1.00 0.00 C ATOM 325 CD1 TRP A 22 -11.398 -8.069 -12.025 1.00 0.00 C ATOM 326 CD2 TRP A 22 -11.824 -9.539 -10.477 1.00 0.00 C ATOM 327 NE1 TRP A 22 -12.521 -8.751 -12.316 1.00 0.00 N ATOM 328 CE2 TRP A 22 -12.859 -9.709 -11.381 1.00 0.00 C ATOM 329 CE3 TRP A 22 -11.764 -10.349 -9.353 1.00 0.00 C ATOM 330 CZ2 TRP A 22 -13.823 -10.673 -11.163 1.00 0.00 C ATOM 331 CZ3 TRP A 22 -12.731 -11.314 -9.143 1.00 0.00 C ATOM 332 CH2 TRP A 22 -13.758 -11.473 -10.047 1.00 0.00 C ATOM 0 H TRP A 22 -10.109 -5.798 -10.943 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.978 -7.262 -8.570 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -9.004 -7.781 -10.858 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.316 -8.951 -9.592 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -10.929 -7.281 -12.596 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -13.074 -8.575 -13.155 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -10.961 -10.226 -8.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -14.629 -10.799 -11.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -12.681 -11.945 -8.268 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -14.513 -12.227 -9.879 1.00 0.00 H new ATOM 343 N SER A 23 -9.132 -5.872 -7.266 1.00 0.00 N ATOM 344 CA SER A 23 -7.997 -5.507 -6.347 1.00 0.00 C ATOM 345 C SER A 23 -8.010 -6.319 -5.065 1.00 0.00 C ATOM 346 O SER A 23 -9.049 -6.633 -4.531 1.00 0.00 O ATOM 347 CB SER A 23 -8.098 -3.993 -6.013 1.00 0.00 C ATOM 348 OG SER A 23 -9.132 -3.516 -6.856 1.00 0.00 O ATOM 0 H SER A 23 -10.035 -5.464 -7.023 1.00 0.00 H new ATOM 0 HA SER A 23 -7.059 -5.730 -6.856 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.336 -3.833 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.157 -3.479 -6.208 1.00 0.00 H new ATOM 0 HG SER A 23 -9.687 -2.876 -6.363 1.00 0.00 H new ATOM 354 N CYS A 24 -6.835 -6.598 -4.579 1.00 0.00 N ATOM 355 CA CYS A 24 -6.730 -7.394 -3.325 1.00 0.00 C ATOM 356 C CYS A 24 -7.234 -6.599 -2.121 1.00 0.00 C ATOM 357 O CYS A 24 -7.619 -5.453 -2.247 1.00 0.00 O ATOM 358 CB CYS A 24 -5.251 -7.790 -3.106 1.00 0.00 C ATOM 359 SG CYS A 24 -4.159 -6.606 -2.277 1.00 0.00 S ATOM 0 H CYS A 24 -5.947 -6.312 -4.992 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.350 -8.285 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.236 -8.715 -2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.819 -8.014 -4.081 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.036 -5.541 -3.012 1.00 0.00 H new ATOM 364 N GLU A 25 -7.221 -7.226 -0.975 1.00 0.00 N ATOM 365 CA GLU A 25 -7.697 -6.531 0.252 1.00 0.00 C ATOM 366 C GLU A 25 -6.714 -5.467 0.723 1.00 0.00 C ATOM 367 O GLU A 25 -7.056 -4.309 0.830 1.00 0.00 O ATOM 368 CB GLU A 25 -7.857 -7.577 1.364 1.00 0.00 C ATOM 369 CG GLU A 25 -8.970 -8.554 0.978 1.00 0.00 C ATOM 370 CD GLU A 25 -10.316 -7.830 1.026 1.00 0.00 C ATOM 371 OE1 GLU A 25 -10.894 -7.833 2.101 1.00 0.00 O ATOM 372 OE2 GLU A 25 -10.692 -7.316 -0.014 1.00 0.00 O ATOM 0 H GLU A 25 -6.902 -8.185 -0.837 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.641 -6.038 0.022 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.920 -8.114 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.097 -7.088 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.792 -8.949 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.977 -9.404 1.660 1.00 0.00 H new ATOM 379 N GLY A 26 -5.512 -5.875 1.000 1.00 0.00 N ATOM 380 CA GLY A 26 -4.488 -4.890 1.471 1.00 0.00 C ATOM 381 C GLY A 26 -4.545 -3.598 0.651 1.00 0.00 C ATOM 382 O GLY A 26 -4.457 -2.516 1.193 1.00 0.00 O ATOM 0 H GLY A 26 -5.189 -6.839 0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.655 -4.663 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.494 -5.330 1.393 1.00 0.00 H new ATOM 386 N CYS A 27 -4.691 -3.734 -0.636 1.00 0.00 N ATOM 387 CA CYS A 27 -4.756 -2.523 -1.485 1.00 0.00 C ATOM 388 C CYS A 27 -6.076 -1.793 -1.268 1.00 0.00 C ATOM 389 O CYS A 27 -6.132 -0.593 -1.287 1.00 0.00 O ATOM 390 CB CYS A 27 -4.627 -2.956 -2.947 1.00 0.00 C ATOM 391 SG CYS A 27 -2.969 -3.402 -3.503 1.00 0.00 S ATOM 0 H CYS A 27 -4.767 -4.623 -1.129 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.947 -1.841 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.284 -3.810 -3.111 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.994 -2.146 -3.578 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.042 -4.407 -4.325 1.00 0.00 H new ATOM 396 N LYS A 28 -7.107 -2.543 -1.067 1.00 0.00 N ATOM 397 CA LYS A 28 -8.441 -1.929 -0.841 1.00 0.00 C ATOM 398 C LYS A 28 -8.432 -1.177 0.482 1.00 0.00 C ATOM 399 O LYS A 28 -9.035 -0.131 0.612 1.00 0.00 O ATOM 400 CB LYS A 28 -9.457 -3.105 -0.767 1.00 0.00 C ATOM 401 CG LYS A 28 -10.891 -2.590 -0.573 1.00 0.00 C ATOM 402 CD LYS A 28 -11.760 -3.704 0.030 1.00 0.00 C ATOM 403 CE LYS A 28 -13.170 -3.163 0.275 1.00 0.00 C ATOM 404 NZ LYS A 28 -13.166 -2.187 1.400 1.00 0.00 N ATOM 0 H LYS A 28 -7.090 -3.563 -1.048 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.701 -1.229 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.401 -3.696 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.191 -3.767 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.890 -1.720 0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.305 -2.268 -1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.797 -4.559 -0.645 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.325 -4.056 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.544 -2.683 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.847 -3.986 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.140 -2.036 1.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.588 -2.559 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.767 -1.284 1.074 1.00 0.00 H new ATOM 418 N ALA A 29 -7.745 -1.729 1.438 1.00 0.00 N ATOM 419 CA ALA A 29 -7.674 -1.070 2.761 1.00 0.00 C ATOM 420 C ALA A 29 -6.675 0.066 2.720 1.00 0.00 C ATOM 421 O ALA A 29 -6.917 1.132 3.250 1.00 0.00 O ATOM 422 CB ALA A 29 -7.208 -2.114 3.795 1.00 0.00 C ATOM 0 H ALA A 29 -7.231 -2.607 1.358 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.653 -0.672 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.148 -1.650 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.920 -2.939 3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.226 -2.493 3.512 1.00 0.00 H new ATOM 428 N PHE A 30 -5.571 -0.182 2.087 1.00 0.00 N ATOM 429 CA PHE A 30 -4.535 0.864 1.991 1.00 0.00 C ATOM 430 C PHE A 30 -5.029 2.010 1.144 1.00 0.00 C ATOM 431 O PHE A 30 -4.895 3.160 1.499 1.00 0.00 O ATOM 432 CB PHE A 30 -3.299 0.255 1.295 1.00 0.00 C ATOM 433 CG PHE A 30 -2.307 1.375 0.925 1.00 0.00 C ATOM 434 CD1 PHE A 30 -2.528 2.138 -0.213 1.00 0.00 C ATOM 435 CD2 PHE A 30 -1.226 1.682 1.744 1.00 0.00 C ATOM 436 CE1 PHE A 30 -1.700 3.188 -0.525 1.00 0.00 C ATOM 437 CE2 PHE A 30 -0.395 2.751 1.424 1.00 0.00 C ATOM 438 CZ PHE A 30 -0.640 3.496 0.291 1.00 0.00 C ATOM 0 H PHE A 30 -5.343 -1.066 1.632 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.293 1.226 2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.818 -0.467 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.604 -0.285 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.360 1.903 -0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.032 1.092 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.883 3.773 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.441 2.996 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.005 4.326 0.044 1.00 0.00 H new ATOM 448 N PHE A 31 -5.588 1.673 0.035 1.00 0.00 N ATOM 449 CA PHE A 31 -6.096 2.734 -0.857 1.00 0.00 C ATOM 450 C PHE A 31 -7.134 3.570 -0.152 1.00 0.00 C ATOM 451 O PHE A 31 -7.108 4.769 -0.252 1.00 0.00 O ATOM 452 CB PHE A 31 -6.691 2.055 -2.111 1.00 0.00 C ATOM 453 CG PHE A 31 -7.038 3.094 -3.203 1.00 0.00 C ATOM 454 CD1 PHE A 31 -6.102 4.008 -3.654 1.00 0.00 C ATOM 455 CD2 PHE A 31 -8.305 3.120 -3.744 1.00 0.00 C ATOM 456 CE1 PHE A 31 -6.440 4.929 -4.612 1.00 0.00 C ATOM 457 CE2 PHE A 31 -8.652 4.052 -4.706 1.00 0.00 C ATOM 458 CZ PHE A 31 -7.719 4.950 -5.144 1.00 0.00 C ATOM 0 H PHE A 31 -5.717 0.717 -0.295 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.286 3.404 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -5.979 1.332 -2.508 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.588 1.501 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.101 3.996 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.039 2.401 -3.412 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.705 5.642 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.654 4.070 -5.108 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.978 5.674 -5.903 1.00 0.00 H new ATOM 468 N LYS A 32 -8.019 2.940 0.567 1.00 0.00 N ATOM 469 CA LYS A 32 -9.054 3.736 1.275 1.00 0.00 C ATOM 470 C LYS A 32 -8.443 4.427 2.480 1.00 0.00 C ATOM 471 O LYS A 32 -9.067 5.259 3.108 1.00 0.00 O ATOM 472 CB LYS A 32 -10.181 2.780 1.763 1.00 0.00 C ATOM 473 CG LYS A 32 -11.525 3.537 1.784 1.00 0.00 C ATOM 474 CD LYS A 32 -12.652 2.590 2.256 1.00 0.00 C ATOM 475 CE LYS A 32 -13.156 1.747 1.074 1.00 0.00 C ATOM 476 NZ LYS A 32 -14.350 0.953 1.475 1.00 0.00 N ATOM 0 H LYS A 32 -8.070 1.929 0.693 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.459 4.485 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.249 1.915 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.948 2.404 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.458 4.397 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.752 3.921 0.789 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -12.283 1.938 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.473 3.170 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.408 2.397 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.365 1.079 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -14.679 0.388 0.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.098 0.319 2.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.108 1.596 1.780 1.00 0.00 H new ATOM 490 N ARG A 33 -7.233 4.069 2.777 1.00 0.00 N ATOM 491 CA ARG A 33 -6.565 4.685 3.932 1.00 0.00 C ATOM 492 C ARG A 33 -6.124 6.102 3.623 1.00 0.00 C ATOM 493 O ARG A 33 -5.921 6.887 4.528 1.00 0.00 O ATOM 494 CB ARG A 33 -5.321 3.847 4.281 1.00 0.00 C ATOM 495 CG ARG A 33 -4.892 4.161 5.716 1.00 0.00 C ATOM 496 CD ARG A 33 -3.715 3.262 6.096 1.00 0.00 C ATOM 497 NE ARG A 33 -3.153 3.722 7.397 1.00 0.00 N ATOM 498 CZ ARG A 33 -3.950 3.873 8.420 1.00 0.00 C ATOM 499 NH1 ARG A 33 -4.933 3.030 8.584 1.00 0.00 N ATOM 500 NH2 ARG A 33 -3.737 4.862 9.244 1.00 0.00 N ATOM 0 H ARG A 33 -6.683 3.377 2.268 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.268 4.716 4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.542 2.785 4.179 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.510 4.072 3.588 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.607 5.210 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.724 4.000 6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.043 2.225 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.949 3.297 5.321 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.156 3.917 7.487 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.068 2.269 7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.566 3.132 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.958 5.501 9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.349 4.996 10.049 1.00 0.00 H new ATOM 514 N SER A 34 -5.977 6.432 2.351 1.00 0.00 N ATOM 515 CA SER A 34 -5.538 7.834 2.043 1.00 0.00 C ATOM 516 C SER A 34 -6.008 8.366 0.693 1.00 0.00 C ATOM 517 O SER A 34 -6.026 9.565 0.507 1.00 0.00 O ATOM 518 CB SER A 34 -3.999 7.831 2.019 1.00 0.00 C ATOM 519 OG SER A 34 -3.638 6.869 2.999 1.00 0.00 O ATOM 0 H SER A 34 -6.134 5.820 1.550 1.00 0.00 H new ATOM 0 HA SER A 34 -5.976 8.478 2.806 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.616 7.560 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.595 8.815 2.258 1.00 0.00 H new ATOM 0 HG SER A 34 -2.753 6.504 2.788 1.00 0.00 H new ATOM 525 N ILE A 35 -6.407 7.486 -0.216 1.00 0.00 N ATOM 526 CA ILE A 35 -6.872 7.965 -1.580 1.00 0.00 C ATOM 527 C ILE A 35 -6.240 9.312 -1.946 1.00 0.00 C ATOM 528 O ILE A 35 -5.058 9.366 -2.163 1.00 0.00 O ATOM 529 CB ILE A 35 -8.419 8.088 -1.635 1.00 0.00 C ATOM 530 CG1 ILE A 35 -9.084 6.781 -1.201 1.00 0.00 C ATOM 531 CG2 ILE A 35 -8.840 8.377 -3.099 1.00 0.00 C ATOM 532 CD1 ILE A 35 -8.934 5.690 -2.312 1.00 0.00 C ATOM 0 H ILE A 35 -6.431 6.476 -0.078 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.549 7.218 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.730 8.889 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.633 6.428 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.140 6.955 -0.995 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.925 8.466 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.382 9.308 -3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.510 7.560 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.414 4.768 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.407 6.038 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.876 5.503 -2.497 1.00 0.00 H new ATOM 544 N GLN A 36 -7.056 10.359 -1.967 1.00 0.00 N ATOM 545 CA GLN A 36 -6.582 11.754 -2.316 1.00 0.00 C ATOM 546 C GLN A 36 -5.135 11.840 -2.768 1.00 0.00 C ATOM 547 O GLN A 36 -4.222 11.392 -2.107 1.00 0.00 O ATOM 548 CB GLN A 36 -6.732 12.659 -1.116 1.00 0.00 C ATOM 549 CG GLN A 36 -8.155 12.543 -0.564 1.00 0.00 C ATOM 550 CD GLN A 36 -8.277 13.397 0.700 1.00 0.00 C ATOM 551 OE1 GLN A 36 -7.487 13.285 1.617 1.00 0.00 O ATOM 552 NE2 GLN A 36 -9.250 14.261 0.789 1.00 0.00 N ATOM 0 H GLN A 36 -8.051 10.301 -1.752 1.00 0.00 H new ATOM 0 HA GLN A 36 -7.206 12.061 -3.155 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.009 12.385 -0.348 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.523 13.691 -1.397 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.876 12.874 -1.312 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.386 11.502 -0.337 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.916 14.360 0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.345 14.838 1.625 1.00 0.00 H new ATOM 561 N GLY A 37 -4.960 12.510 -3.847 1.00 0.00 N ATOM 562 CA GLY A 37 -3.593 12.670 -4.400 1.00 0.00 C ATOM 563 C GLY A 37 -2.716 13.373 -3.389 1.00 0.00 C ATOM 564 O GLY A 37 -1.777 12.810 -2.867 1.00 0.00 O ATOM 0 H GLY A 37 -5.702 12.961 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.173 11.695 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.629 13.244 -5.326 1.00 0.00 H new ATOM 568 N HIS A 38 -3.046 14.604 -3.149 1.00 0.00 N ATOM 569 CA HIS A 38 -2.265 15.405 -2.174 1.00 0.00 C ATOM 570 C HIS A 38 -2.214 14.709 -0.818 1.00 0.00 C ATOM 571 O HIS A 38 -2.948 15.045 0.089 1.00 0.00 O ATOM 572 CB HIS A 38 -2.954 16.768 -2.005 1.00 0.00 C ATOM 573 CG HIS A 38 -3.184 17.390 -3.384 1.00 0.00 C ATOM 574 ND1 HIS A 38 -4.188 18.060 -3.707 1.00 0.00 N ATOM 575 CD2 HIS A 38 -2.387 17.354 -4.512 1.00 0.00 C ATOM 576 CE1 HIS A 38 -4.118 18.452 -4.910 1.00 0.00 C ATOM 577 NE2 HIS A 38 -2.997 18.049 -5.511 1.00 0.00 N ATOM 0 H HIS A 38 -3.826 15.094 -3.587 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.247 15.523 -2.544 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -3.904 16.647 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -2.338 17.427 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -1.433 16.854 -4.589 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.880 19.045 -5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.681 18.217 -6.466 1.00 0.00 H new ATOM 585 N ASN A 39 -1.338 13.748 -0.713 1.00 0.00 N ATOM 586 CA ASN A 39 -1.190 12.992 0.559 1.00 0.00 C ATOM 587 C ASN A 39 0.273 12.679 0.800 1.00 0.00 C ATOM 588 O ASN A 39 1.091 12.827 -0.087 1.00 0.00 O ATOM 589 CB ASN A 39 -1.971 11.700 0.439 1.00 0.00 C ATOM 590 CG ASN A 39 -1.960 10.976 1.790 1.00 0.00 C ATOM 591 OD1 ASN A 39 -0.902 10.301 2.143 1.00 0.00 O flip ATOM 592 ND2 ASN A 39 -2.915 11.028 2.538 1.00 0.00 N flip ATOM 0 H ASN A 39 -0.713 13.453 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.566 13.585 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.996 11.908 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.531 11.066 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.746 11.554 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.886 10.545 3.436 1.00 0.00 H new ATOM 599 N ASP A 40 0.591 12.255 1.983 1.00 0.00 N ATOM 600 CA ASP A 40 2.012 11.937 2.271 1.00 0.00 C ATOM 601 C ASP A 40 2.428 10.649 1.605 1.00 0.00 C ATOM 602 O ASP A 40 1.911 9.596 1.908 1.00 0.00 O ATOM 603 CB ASP A 40 2.203 11.783 3.771 1.00 0.00 C ATOM 604 CG ASP A 40 1.206 10.755 4.309 1.00 0.00 C ATOM 605 OD1 ASP A 40 0.056 11.137 4.449 1.00 0.00 O ATOM 606 OD2 ASP A 40 1.652 9.645 4.552 1.00 0.00 O ATOM 0 H ASP A 40 -0.060 12.115 2.756 1.00 0.00 H new ATOM 0 HA ASP A 40 2.624 12.752 1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.223 11.465 3.988 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.056 12.742 4.267 1.00 0.00 H new ATOM 611 N TYR A 41 3.389 10.762 0.738 1.00 0.00 N ATOM 612 CA TYR A 41 3.890 9.562 0.009 1.00 0.00 C ATOM 613 C TYR A 41 5.166 9.889 -0.756 1.00 0.00 C ATOM 614 O TYR A 41 5.292 10.954 -1.327 1.00 0.00 O ATOM 615 CB TYR A 41 2.832 9.130 -1.041 1.00 0.00 C ATOM 616 CG TYR A 41 1.648 8.454 -0.356 1.00 0.00 C ATOM 617 CD1 TYR A 41 1.829 7.299 0.366 1.00 0.00 C ATOM 618 CD2 TYR A 41 0.394 9.019 -0.413 1.00 0.00 C ATOM 619 CE1 TYR A 41 0.756 6.719 1.038 1.00 0.00 C ATOM 620 CE2 TYR A 41 -0.671 8.445 0.256 1.00 0.00 C ATOM 621 CZ TYR A 41 -0.494 7.290 0.985 1.00 0.00 C ATOM 622 OH TYR A 41 -1.547 6.714 1.658 1.00 0.00 O ATOM 0 H TYR A 41 3.854 11.638 0.499 1.00 0.00 H new ATOM 0 HA TYR A 41 4.081 8.776 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.488 10.001 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.283 8.447 -1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.806 6.840 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.240 9.921 -0.987 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.907 5.813 1.606 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.647 8.905 0.207 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.579 5.755 1.457 1.00 0.00 H new ATOM 632 N MET A 42 6.089 8.972 -0.754 1.00 0.00 N ATOM 633 CA MET A 42 7.347 9.224 -1.482 1.00 0.00 C ATOM 634 C MET A 42 8.196 7.950 -1.597 1.00 0.00 C ATOM 635 O MET A 42 8.338 7.189 -0.660 1.00 0.00 O ATOM 636 CB MET A 42 8.141 10.375 -0.765 1.00 0.00 C ATOM 637 CG MET A 42 9.322 9.826 0.057 1.00 0.00 C ATOM 638 SD MET A 42 10.175 10.981 1.161 1.00 0.00 S ATOM 639 CE MET A 42 10.784 12.110 -0.117 1.00 0.00 C ATOM 0 H MET A 42 6.023 8.069 -0.283 1.00 0.00 H new ATOM 0 HA MET A 42 7.108 9.536 -2.499 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.512 11.080 -1.509 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.468 10.928 -0.110 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.956 8.993 0.658 1.00 0.00 H new ATOM 0 HG3 MET A 42 10.056 9.419 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 42 11.479 12.822 0.328 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.295 11.540 -0.893 1.00 0.00 H new ATOM 0 HE3 MET A 42 9.945 12.649 -0.556 1.00 0.00 H new ATOM 752 N ILE A 51 5.366 -1.293 -7.510 1.00 0.00 N ATOM 753 CA ILE A 51 5.255 -2.302 -6.389 1.00 0.00 C ATOM 754 C ILE A 51 5.063 -3.715 -6.933 1.00 0.00 C ATOM 755 O ILE A 51 4.987 -3.923 -8.128 1.00 0.00 O ATOM 756 CB ILE A 51 4.034 -1.921 -5.517 1.00 0.00 C ATOM 757 CG1 ILE A 51 3.979 -2.810 -4.250 1.00 0.00 C ATOM 758 CG2 ILE A 51 2.739 -2.128 -6.339 1.00 0.00 C ATOM 759 CD1 ILE A 51 3.173 -2.105 -3.160 1.00 0.00 C ATOM 0 HA ILE A 51 6.175 -2.288 -5.805 1.00 0.00 H new ATOM 0 HB ILE A 51 4.125 -0.878 -5.215 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.524 -3.771 -4.488 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.989 -3.015 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.875 -1.861 -5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.766 -1.496 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.662 -3.173 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.137 -2.734 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.647 -1.155 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.159 -1.923 -3.517 1.00 0.00 H new ATOM 771 N ASP A 52 4.992 -4.660 -6.034 1.00 0.00 N ATOM 772 CA ASP A 52 4.808 -6.076 -6.449 1.00 0.00 C ATOM 773 C ASP A 52 4.139 -6.886 -5.335 1.00 0.00 C ATOM 774 O ASP A 52 3.812 -6.361 -4.290 1.00 0.00 O ATOM 775 CB ASP A 52 6.190 -6.678 -6.738 1.00 0.00 C ATOM 776 CG ASP A 52 6.840 -5.913 -7.893 1.00 0.00 C ATOM 777 OD1 ASP A 52 6.306 -6.023 -8.985 1.00 0.00 O ATOM 778 OD2 ASP A 52 7.834 -5.261 -7.618 1.00 0.00 O ATOM 0 H ASP A 52 5.054 -4.509 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 52 4.173 -6.110 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.818 -6.621 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.094 -7.733 -6.993 1.00 0.00 H new ATOM 783 N LYS A 53 3.959 -8.155 -5.583 1.00 0.00 N ATOM 784 CA LYS A 53 3.314 -9.031 -4.562 1.00 0.00 C ATOM 785 C LYS A 53 3.927 -8.850 -3.174 1.00 0.00 C ATOM 786 O LYS A 53 5.087 -9.141 -2.960 1.00 0.00 O ATOM 787 CB LYS A 53 3.518 -10.493 -4.997 1.00 0.00 C ATOM 788 CG LYS A 53 2.851 -11.426 -3.983 1.00 0.00 C ATOM 789 CD LYS A 53 2.860 -12.855 -4.539 1.00 0.00 C ATOM 790 CE LYS A 53 2.492 -13.837 -3.423 1.00 0.00 C ATOM 791 NZ LYS A 53 1.067 -13.662 -3.023 1.00 0.00 N ATOM 0 H LYS A 53 4.230 -8.623 -6.448 1.00 0.00 H new ATOM 0 HA LYS A 53 2.259 -8.764 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.092 -10.651 -5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.582 -10.717 -5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.381 -11.389 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.828 -11.103 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.151 -12.941 -5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.845 -13.095 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.658 -14.860 -3.761 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.140 -13.677 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.022 -13.228 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.587 -13.047 -3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.596 -14.589 -3.000 1.00 0.00 H new ATOM 805 N ASN A 54 3.126 -8.369 -2.251 1.00 0.00 N ATOM 806 CA ASN A 54 3.627 -8.163 -0.881 1.00 0.00 C ATOM 807 C ASN A 54 2.451 -8.030 0.086 1.00 0.00 C ATOM 808 O ASN A 54 1.900 -9.015 0.538 1.00 0.00 O ATOM 809 CB ASN A 54 4.458 -6.864 -0.858 1.00 0.00 C ATOM 810 CG ASN A 54 3.771 -5.808 -1.725 1.00 0.00 C ATOM 811 OD1 ASN A 54 4.380 -4.850 -2.157 1.00 0.00 O ATOM 812 ND2 ASN A 54 2.504 -5.946 -2.005 1.00 0.00 N ATOM 0 H ASN A 54 2.150 -8.114 -2.401 1.00 0.00 H new ATOM 0 HA ASN A 54 4.240 -9.011 -0.578 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.559 -6.501 0.165 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.465 -7.056 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.031 -5.252 -2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.987 -6.748 -1.645 1.00 0.00 H new ATOM 819 N ARG A 55 2.078 -6.809 0.351 1.00 0.00 N ATOM 820 CA ARG A 55 0.937 -6.541 1.285 1.00 0.00 C ATOM 821 C ARG A 55 0.702 -5.047 1.395 1.00 0.00 C ATOM 822 O ARG A 55 -0.273 -4.515 0.901 1.00 0.00 O ATOM 823 CB ARG A 55 1.271 -7.119 2.702 1.00 0.00 C ATOM 824 CG ARG A 55 -0.041 -7.384 3.454 1.00 0.00 C ATOM 825 CD ARG A 55 0.274 -7.824 4.888 1.00 0.00 C ATOM 826 NE ARG A 55 0.729 -9.246 4.869 1.00 0.00 N ATOM 827 CZ ARG A 55 0.643 -9.965 5.958 1.00 0.00 C ATOM 828 NH1 ARG A 55 0.304 -9.380 7.075 1.00 0.00 N ATOM 829 NH2 ARG A 55 0.897 -11.243 5.891 1.00 0.00 N ATOM 0 H ARG A 55 2.516 -5.975 -0.041 1.00 0.00 H new ATOM 0 HA ARG A 55 0.038 -7.021 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.844 -8.041 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.889 -6.416 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.655 -6.483 3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.616 -8.156 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.047 -7.187 5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.610 -7.719 5.517 1.00 0.00 H new ATOM 0 HE ARG A 55 1.104 -9.654 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.111 -8.378 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.232 -9.925 7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.157 -11.665 5.000 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.835 -11.820 6.730 1.00 0.00 H new ATOM 843 N ARG A 56 1.601 -4.424 2.035 1.00 0.00 N ATOM 844 CA ARG A 56 1.521 -2.954 2.231 1.00 0.00 C ATOM 845 C ARG A 56 2.775 -2.455 2.934 1.00 0.00 C ATOM 846 O ARG A 56 2.801 -1.366 3.472 1.00 0.00 O ATOM 847 CB ARG A 56 0.274 -2.603 3.090 1.00 0.00 C ATOM 848 CG ARG A 56 0.304 -3.398 4.427 1.00 0.00 C ATOM 849 CD ARG A 56 -0.419 -2.596 5.520 1.00 0.00 C ATOM 850 NE ARG A 56 -1.767 -2.199 5.022 1.00 0.00 N ATOM 851 CZ ARG A 56 -2.734 -3.077 5.016 1.00 0.00 C ATOM 852 NH1 ARG A 56 -2.809 -3.947 5.987 1.00 0.00 N ATOM 853 NH2 ARG A 56 -3.598 -3.054 4.038 1.00 0.00 N ATOM 0 H ARG A 56 2.421 -4.866 2.451 1.00 0.00 H new ATOM 0 HA ARG A 56 1.437 -2.473 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.254 -1.533 3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.636 -2.839 2.538 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.176 -4.368 4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.335 -3.590 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -0.514 -3.195 6.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.161 -1.711 5.783 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.933 -1.249 4.689 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.118 -3.935 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.559 -4.639 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.511 -2.359 3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.360 -3.731 4.015 1.00 0.00 H new ATOM 867 N LYS A 57 3.804 -3.277 2.914 1.00 0.00 N ATOM 868 CA LYS A 57 5.091 -2.891 3.577 1.00 0.00 C ATOM 869 C LYS A 57 6.103 -2.401 2.562 1.00 0.00 C ATOM 870 O LYS A 57 7.235 -2.109 2.894 1.00 0.00 O ATOM 871 CB LYS A 57 5.661 -4.131 4.284 1.00 0.00 C ATOM 872 CG LYS A 57 5.996 -5.197 3.235 1.00 0.00 C ATOM 873 CD LYS A 57 6.203 -6.547 3.934 1.00 0.00 C ATOM 874 CE LYS A 57 7.313 -6.415 4.983 1.00 0.00 C ATOM 875 NZ LYS A 57 7.830 -7.758 5.364 1.00 0.00 N ATOM 0 H LYS A 57 3.805 -4.194 2.468 1.00 0.00 H new ATOM 0 HA LYS A 57 4.896 -2.086 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.555 -3.865 4.848 1.00 0.00 H new ATOM 0 HB3 LYS A 57 4.937 -4.522 4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.190 -5.272 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.896 -4.916 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.276 -6.869 4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.468 -7.310 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.125 -5.805 4.588 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.929 -5.902 5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.581 -7.652 6.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.056 -8.328 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.214 -8.233 4.523 1.00 0.00 H new ATOM 889 N SER A 58 5.678 -2.319 1.346 1.00 0.00 N ATOM 890 CA SER A 58 6.598 -1.846 0.272 1.00 0.00 C ATOM 891 C SER A 58 6.610 -0.331 0.253 1.00 0.00 C ATOM 892 O SER A 58 6.491 0.297 1.286 1.00 0.00 O ATOM 893 CB SER A 58 6.073 -2.357 -1.079 1.00 0.00 C ATOM 894 OG SER A 58 7.126 -2.075 -1.989 1.00 0.00 O ATOM 0 H SER A 58 4.735 -2.557 1.039 1.00 0.00 H new ATOM 0 HA SER A 58 7.606 -2.218 0.454 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.852 -3.424 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 58 5.152 -1.850 -1.366 1.00 0.00 H new ATOM 0 HG SER A 58 6.872 -2.374 -2.887 1.00 0.00 H new ATOM 900 N CYS A 59 6.755 0.250 -0.912 1.00 0.00 N ATOM 901 CA CYS A 59 6.768 1.734 -0.960 1.00 0.00 C ATOM 902 C CYS A 59 5.359 2.245 -0.888 1.00 0.00 C ATOM 903 O CYS A 59 4.652 2.272 -1.876 1.00 0.00 O ATOM 904 CB CYS A 59 7.376 2.217 -2.269 1.00 0.00 C ATOM 905 SG CYS A 59 7.121 3.968 -2.672 1.00 0.00 S ATOM 0 H CYS A 59 6.862 -0.228 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 59 7.358 2.102 -0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.448 2.025 -2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 59 6.966 1.615 -3.080 1.00 0.00 H new ATOM 0 HG CYS A 59 7.846 4.286 -3.703 1.00 0.00 H new ATOM 910 N GLN A 60 4.968 2.637 0.272 1.00 0.00 N ATOM 911 CA GLN A 60 3.603 3.152 0.443 1.00 0.00 C ATOM 912 C GLN A 60 3.201 4.102 -0.697 1.00 0.00 C ATOM 913 O GLN A 60 2.040 4.232 -1.003 1.00 0.00 O ATOM 914 CB GLN A 60 3.553 3.899 1.782 1.00 0.00 C ATOM 915 CG GLN A 60 3.514 2.881 2.924 1.00 0.00 C ATOM 916 CD GLN A 60 4.767 2.005 2.869 1.00 0.00 C ATOM 917 OE1 GLN A 60 4.690 0.799 2.741 1.00 0.00 O ATOM 918 NE2 GLN A 60 5.940 2.570 2.963 1.00 0.00 N ATOM 0 H GLN A 60 5.539 2.623 1.117 1.00 0.00 H new ATOM 0 HA GLN A 60 2.901 2.318 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.425 4.545 1.884 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.673 4.542 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.459 3.396 3.883 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.621 2.262 2.843 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.012 3.582 3.071 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.785 2.000 2.929 1.00 0.00 H new ATOM 927 N ALA A 61 4.165 4.741 -1.316 1.00 0.00 N ATOM 928 CA ALA A 61 3.804 5.672 -2.429 1.00 0.00 C ATOM 929 C ALA A 61 3.478 4.904 -3.701 1.00 0.00 C ATOM 930 O ALA A 61 2.590 5.285 -4.437 1.00 0.00 O ATOM 931 CB ALA A 61 4.980 6.644 -2.679 1.00 0.00 C ATOM 0 H ALA A 61 5.160 4.662 -1.106 1.00 0.00 H new ATOM 0 HA ALA A 61 2.915 6.235 -2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.723 7.326 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.178 7.216 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.870 6.076 -2.951 1.00 0.00 H new ATOM 937 N CYS A 62 4.188 3.834 -3.953 1.00 0.00 N ATOM 938 CA CYS A 62 3.880 3.067 -5.185 1.00 0.00 C ATOM 939 C CYS A 62 2.516 2.471 -5.042 1.00 0.00 C ATOM 940 O CYS A 62 1.804 2.318 -5.988 1.00 0.00 O ATOM 941 CB CYS A 62 4.869 1.868 -5.343 1.00 0.00 C ATOM 942 SG CYS A 62 6.616 2.172 -5.687 1.00 0.00 S ATOM 0 H CYS A 62 4.945 3.470 -3.375 1.00 0.00 H new ATOM 0 HA CYS A 62 3.954 3.739 -6.040 1.00 0.00 H new ATOM 0 HB2 CYS A 62 4.817 1.283 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 62 4.487 1.237 -6.145 1.00 0.00 H new ATOM 0 HG CYS A 62 7.158 2.782 -4.675 1.00 0.00 H new ATOM 947 N ARG A 63 2.180 2.132 -3.850 1.00 0.00 N ATOM 948 CA ARG A 63 0.866 1.541 -3.632 1.00 0.00 C ATOM 949 C ARG A 63 -0.230 2.514 -4.035 1.00 0.00 C ATOM 950 O ARG A 63 -1.097 2.169 -4.805 1.00 0.00 O ATOM 951 CB ARG A 63 0.766 1.174 -2.130 1.00 0.00 C ATOM 952 CG ARG A 63 -0.024 -0.143 -1.936 1.00 0.00 C ATOM 953 CD ARG A 63 0.320 -0.733 -0.565 1.00 0.00 C ATOM 954 NE ARG A 63 1.807 -0.972 -0.505 1.00 0.00 N ATOM 955 CZ ARG A 63 2.548 -0.298 0.346 1.00 0.00 C ATOM 956 NH1 ARG A 63 2.070 -0.043 1.534 1.00 0.00 N ATOM 957 NH2 ARG A 63 3.737 0.094 -0.024 1.00 0.00 N ATOM 0 H ARG A 63 2.761 2.240 -3.019 1.00 0.00 H new ATOM 0 HA ARG A 63 0.738 0.648 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.766 1.068 -1.710 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.275 1.981 -1.586 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.095 0.047 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.227 -0.852 -2.725 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.014 -0.051 0.228 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.220 -1.667 -0.408 1.00 0.00 H new ATOM 0 HE ARG A 63 2.239 -1.657 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.136 -0.366 1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.630 0.479 2.208 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.077 -0.124 -0.961 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.326 0.618 0.623 1.00 0.00 H new ATOM 971 N LEU A 64 -0.194 3.703 -3.506 1.00 0.00 N ATOM 972 CA LEU A 64 -1.247 4.663 -3.889 1.00 0.00 C ATOM 973 C LEU A 64 -1.144 4.965 -5.363 1.00 0.00 C ATOM 974 O LEU A 64 -2.097 4.817 -6.103 1.00 0.00 O ATOM 975 CB LEU A 64 -1.073 6.001 -3.114 1.00 0.00 C ATOM 976 CG LEU A 64 -2.233 6.986 -3.496 1.00 0.00 C ATOM 977 CD1 LEU A 64 -3.520 6.640 -2.672 1.00 0.00 C ATOM 978 CD2 LEU A 64 -1.797 8.435 -3.188 1.00 0.00 C ATOM 0 H LEU A 64 0.503 4.041 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.214 4.220 -3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.080 5.814 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.109 6.449 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.453 6.888 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.321 7.328 -2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.829 5.618 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.306 6.733 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.602 9.121 -3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.574 8.530 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.907 8.678 -3.768 1.00 0.00 H new ATOM 990 N ARG A 65 0.014 5.384 -5.768 1.00 0.00 N ATOM 991 CA ARG A 65 0.204 5.705 -7.186 1.00 0.00 C ATOM 992 C ARG A 65 -0.184 4.539 -8.041 1.00 0.00 C ATOM 993 O ARG A 65 -0.857 4.702 -9.038 1.00 0.00 O ATOM 994 CB ARG A 65 1.702 6.040 -7.397 1.00 0.00 C ATOM 995 CG ARG A 65 1.908 6.684 -8.792 1.00 0.00 C ATOM 996 CD ARG A 65 1.911 5.605 -9.919 1.00 0.00 C ATOM 997 NE ARG A 65 0.667 5.755 -10.724 1.00 0.00 N ATOM 998 CZ ARG A 65 0.570 6.739 -11.575 1.00 0.00 C ATOM 999 NH1 ARG A 65 1.268 7.823 -11.368 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -0.221 6.608 -12.604 1.00 0.00 N ATOM 0 H ARG A 65 0.832 5.516 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.422 6.552 -7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.044 6.722 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.301 5.134 -7.313 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.116 7.408 -8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.851 7.231 -8.807 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.789 5.724 -10.554 1.00 0.00 H new ATOM 0 HD3 ARG A 65 1.963 4.606 -9.486 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.102 5.094 -10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.876 7.890 -10.552 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.205 8.603 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.751 5.746 -12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.309 7.367 -13.279 1.00 0.00 H new ATOM 1014 N LYS A 66 0.230 3.375 -7.656 1.00 0.00 N ATOM 1015 CA LYS A 66 -0.134 2.224 -8.469 1.00 0.00 C ATOM 1016 C LYS A 66 -1.617 2.035 -8.365 1.00 0.00 C ATOM 1017 O LYS A 66 -2.247 1.730 -9.330 1.00 0.00 O ATOM 1018 CB LYS A 66 0.603 0.961 -7.951 1.00 0.00 C ATOM 1019 CG LYS A 66 0.303 -0.250 -8.878 1.00 0.00 C ATOM 1020 CD LYS A 66 1.280 -0.254 -10.065 1.00 0.00 C ATOM 1021 CE LYS A 66 0.882 -1.366 -11.039 1.00 0.00 C ATOM 1022 NZ LYS A 66 1.003 -2.701 -10.386 1.00 0.00 N ATOM 0 H LYS A 66 0.794 3.183 -6.828 1.00 0.00 H new ATOM 0 HA LYS A 66 0.152 2.385 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.677 1.145 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.285 0.737 -6.933 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.395 -1.180 -8.317 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.723 -0.196 -9.241 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.262 0.712 -10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.299 -0.410 -9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.143 -1.212 -11.377 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.519 -1.328 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.413 -3.380 -11.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.619 -2.625 -9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.061 -3.030 -10.092 1.00 0.00 H new ATOM 1036 N CYS A 67 -2.168 2.284 -7.184 1.00 0.00 N ATOM 1037 CA CYS A 67 -3.629 2.110 -7.032 1.00 0.00 C ATOM 1038 C CYS A 67 -4.356 3.022 -7.975 1.00 0.00 C ATOM 1039 O CYS A 67 -5.434 2.725 -8.386 1.00 0.00 O ATOM 1040 CB CYS A 67 -4.026 2.410 -5.577 1.00 0.00 C ATOM 1041 SG CYS A 67 -4.264 0.984 -4.495 1.00 0.00 S ATOM 0 H CYS A 67 -1.668 2.592 -6.350 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.902 1.082 -7.272 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.258 3.046 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.950 2.988 -5.588 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.964 1.312 -3.273 1.00 0.00 H new ATOM 1047 N TYR A 68 -3.784 4.151 -8.273 1.00 0.00 N ATOM 1048 CA TYR A 68 -4.488 5.057 -9.208 1.00 0.00 C ATOM 1049 C TYR A 68 -4.173 4.612 -10.635 1.00 0.00 C ATOM 1050 O TYR A 68 -4.980 4.758 -11.531 1.00 0.00 O ATOM 1051 CB TYR A 68 -3.960 6.500 -9.016 1.00 0.00 C ATOM 1052 CG TYR A 68 -4.370 7.131 -7.646 1.00 0.00 C ATOM 1053 CD1 TYR A 68 -5.690 7.087 -7.168 1.00 0.00 C ATOM 1054 CD2 TYR A 68 -3.452 7.924 -6.961 1.00 0.00 C ATOM 1055 CE1 TYR A 68 -6.059 7.831 -6.060 1.00 0.00 C ATOM 1056 CE2 TYR A 68 -3.846 8.666 -5.865 1.00 0.00 C ATOM 1057 CZ TYR A 68 -5.146 8.624 -5.418 1.00 0.00 C ATOM 1058 OH TYR A 68 -5.539 9.423 -4.394 1.00 0.00 O ATOM 0 H TYR A 68 -2.884 4.478 -7.920 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.561 5.027 -9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.873 6.495 -9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.336 7.128 -9.824 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.422 6.469 -7.668 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.424 7.959 -7.290 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.076 7.785 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.125 9.286 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.839 9.445 -3.709 1.00 0.00 H new ATOM 1068 N GLU A 69 -2.991 4.070 -10.814 1.00 0.00 N ATOM 1069 CA GLU A 69 -2.591 3.601 -12.167 1.00 0.00 C ATOM 1070 C GLU A 69 -3.556 2.552 -12.634 1.00 0.00 C ATOM 1071 O GLU A 69 -3.718 2.290 -13.809 1.00 0.00 O ATOM 1072 CB GLU A 69 -1.186 2.992 -12.056 1.00 0.00 C ATOM 1073 CG GLU A 69 -0.538 2.940 -13.441 1.00 0.00 C ATOM 1074 CD GLU A 69 0.926 2.519 -13.298 1.00 0.00 C ATOM 1075 OE1 GLU A 69 1.612 3.193 -12.547 1.00 0.00 O ATOM 1076 OE2 GLU A 69 1.275 1.546 -13.945 1.00 0.00 O ATOM 0 H GLU A 69 -2.294 3.935 -10.082 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.594 4.428 -12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.573 3.587 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.246 1.989 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.071 2.234 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.603 3.916 -13.922 1.00 0.00 H new ATOM 1083 N VAL A 70 -4.166 1.990 -11.683 1.00 0.00 N ATOM 1084 CA VAL A 70 -5.167 0.927 -11.932 1.00 0.00 C ATOM 1085 C VAL A 70 -6.293 1.485 -12.721 1.00 0.00 C ATOM 1086 O VAL A 70 -6.615 1.058 -13.811 1.00 0.00 O ATOM 1087 CB VAL A 70 -5.759 0.543 -10.559 1.00 0.00 C ATOM 1088 CG1 VAL A 70 -6.979 -0.360 -10.698 1.00 0.00 C ATOM 1089 CG2 VAL A 70 -4.760 -0.179 -9.701 1.00 0.00 C ATOM 0 H VAL A 70 -4.023 2.216 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.704 0.089 -12.453 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.043 1.486 -10.091 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.364 -0.606 -9.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.750 0.156 -11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.696 -1.277 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.217 -0.431 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.442 -1.093 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.895 0.462 -9.532 1.00 0.00 H new ATOM 1099 N GLY A 71 -6.856 2.446 -12.112 1.00 0.00 N ATOM 1100 CA GLY A 71 -8.014 3.172 -12.685 1.00 0.00 C ATOM 1101 C GLY A 71 -9.218 2.865 -11.799 1.00 0.00 C ATOM 1102 O GLY A 71 -10.322 2.687 -12.274 1.00 0.00 O ATOM 0 H GLY A 71 -6.560 2.787 -11.197 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.820 4.244 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.199 2.854 -13.711 1.00 0.00 H new ATOM 1106 N MET A 72 -8.966 2.813 -10.499 1.00 0.00 N ATOM 1107 CA MET A 72 -10.091 2.513 -9.538 1.00 0.00 C ATOM 1108 C MET A 72 -10.828 3.757 -9.189 1.00 0.00 C ATOM 1109 O MET A 72 -11.974 3.958 -9.533 1.00 0.00 O ATOM 1110 CB MET A 72 -9.533 1.923 -8.164 1.00 0.00 C ATOM 1111 CG MET A 72 -8.019 2.037 -8.096 1.00 0.00 C ATOM 1112 SD MET A 72 -7.258 1.986 -6.468 1.00 0.00 S ATOM 1113 CE MET A 72 -8.169 0.561 -5.909 1.00 0.00 C ATOM 0 H MET A 72 -8.052 2.962 -10.072 1.00 0.00 H new ATOM 0 HA MET A 72 -10.740 1.792 -10.035 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.979 2.459 -7.326 1.00 0.00 H new ATOM 0 HB3 MET A 72 -9.827 0.878 -8.067 1.00 0.00 H new ATOM 0 HG2 MET A 72 -7.593 1.230 -8.692 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.730 2.973 -8.574 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.686 0.144 -5.025 1.00 0.00 H new ATOM 0 HE2 MET A 72 -9.189 0.856 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 72 -8.191 -0.190 -6.699 1.00 0.00 H new ATOM 1123 N MET A 73 -10.123 4.546 -8.490 1.00 0.00 N ATOM 1124 CA MET A 73 -10.645 5.825 -8.024 1.00 0.00 C ATOM 1125 C MET A 73 -11.761 5.551 -7.067 1.00 0.00 C ATOM 1126 O MET A 73 -12.719 4.883 -7.401 1.00 0.00 O ATOM 1127 CB MET A 73 -11.165 6.667 -9.198 1.00 0.00 C ATOM 1128 CG MET A 73 -10.130 6.666 -10.332 1.00 0.00 C ATOM 1129 SD MET A 73 -10.357 7.872 -11.663 1.00 0.00 S ATOM 1130 CE MET A 73 -9.224 7.111 -12.852 1.00 0.00 C ATOM 0 H MET A 73 -9.162 4.353 -8.207 1.00 0.00 H new ATOM 0 HA MET A 73 -9.848 6.387 -7.537 1.00 0.00 H new ATOM 0 HB2 MET A 73 -12.112 6.264 -9.556 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.358 7.688 -8.869 1.00 0.00 H new ATOM 0 HG2 MET A 73 -9.147 6.831 -9.892 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.118 5.671 -10.777 1.00 0.00 H new ATOM 0 HE1 MET A 73 -9.207 7.702 -13.768 1.00 0.00 H new ATOM 0 HE2 MET A 73 -8.221 7.073 -12.426 1.00 0.00 H new ATOM 0 HE3 MET A 73 -9.561 6.100 -13.079 1.00 0.00 H new ATOM 1140 N LYS A 74 -11.608 6.056 -5.885 1.00 0.00 N ATOM 1141 CA LYS A 74 -12.639 5.856 -4.839 1.00 0.00 C ATOM 1142 C LYS A 74 -14.056 5.817 -5.428 1.00 0.00 C ATOM 1143 O LYS A 74 -14.873 5.004 -5.046 1.00 0.00 O ATOM 1144 CB LYS A 74 -12.549 7.025 -3.834 1.00 0.00 C ATOM 1145 CG LYS A 74 -12.259 8.335 -4.597 1.00 0.00 C ATOM 1146 CD LYS A 74 -12.282 9.532 -3.611 1.00 0.00 C ATOM 1147 CE LYS A 74 -13.714 10.074 -3.485 1.00 0.00 C ATOM 1148 NZ LYS A 74 -14.153 10.685 -4.772 1.00 0.00 N ATOM 0 H LYS A 74 -10.801 6.607 -5.593 1.00 0.00 H new ATOM 0 HA LYS A 74 -12.452 4.898 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.482 7.114 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.761 6.833 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.287 8.274 -5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.002 8.483 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.915 9.217 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.615 10.319 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.392 9.267 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.760 10.816 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.830 11.451 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.327 11.070 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.609 9.960 -5.363 1.00 0.00 H new ATOM 1162 N GLY A 75 -14.306 6.703 -6.342 1.00 0.00 N ATOM 1163 CA GLY A 75 -15.654 6.747 -6.976 1.00 0.00 C ATOM 1164 C GLY A 75 -15.616 7.590 -8.253 1.00 0.00 C ATOM 1165 O GLY A 75 -15.388 6.990 -9.290 1.00 0.00 O ATOM 1166 OXT GLY A 75 -15.817 8.785 -8.118 1.00 0.00 O ATOM 0 H GLY A 75 -13.641 7.399 -6.680 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.986 5.736 -7.210 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.378 7.166 -6.277 1.00 0.00 H new