USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 99 ASN : amide:sc= -0.148 X(o=-0.15,f=0.21) USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 97:sc= -0.807 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00905 USER MOD Single : A 52 MET CE :methyl -163:sc=-0.00785 (180deg=-0.526) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 63 HIS : no HD1:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 65 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.65) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 173:sc= 0 (180deg=-0.0517) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00822 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -168:sc= -0.152 USER MOD Single : A 96 CYS SG : rot 65:sc= 1.01 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 102 LYS NZ :NH3+ -172:sc=-0.00575 (180deg=-0.159) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 115 MET CE :methyl -140:sc= -1.01 (180deg=-3.33!) USER MOD Single : A 117 MET CE :methyl 159:sc= -0.0118 (180deg=-0.32) USER MOD Single : A 118 ASN : amide:sc= -2.96 K(o=-3,f=-0.33) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N SER A 2 -0.881 -21.663 5.364 1.00 0.00 N ATOM 84 CA SER A 2 -1.235 -20.676 4.350 1.00 0.00 C ATOM 85 C SER A 2 -0.412 -19.403 4.520 1.00 0.00 C ATOM 86 O SER A 2 -0.596 -18.631 5.461 1.00 0.00 O ATOM 87 CB SER A 2 -2.727 -20.346 4.428 1.00 0.00 C ATOM 88 OG SER A 2 -3.096 -19.416 3.425 1.00 0.00 O ATOM 0 HA SER A 2 -1.015 -21.102 3.371 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.311 -21.259 4.314 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.962 -19.938 5.411 1.00 0.00 H new ATOM 0 HG SER A 2 -4.054 -19.223 3.495 1.00 0.00 H new ATOM 94 N PRO A 3 0.523 -19.175 3.587 1.00 0.00 N ATOM 95 CA PRO A 3 1.336 -17.962 3.714 1.00 0.00 C ATOM 96 C PRO A 3 0.531 -16.694 3.449 1.00 0.00 C ATOM 97 O PRO A 3 -0.395 -16.693 2.637 1.00 0.00 O ATOM 98 CB PRO A 3 2.415 -18.143 2.645 1.00 0.00 C ATOM 99 CG PRO A 3 1.799 -19.048 1.634 1.00 0.00 C ATOM 100 CD PRO A 3 0.891 -19.968 2.402 1.00 0.00 C ATOM 0 HA PRO A 3 1.732 -17.842 4.722 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.697 -17.188 2.202 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.321 -18.579 3.067 1.00 0.00 H new ATOM 0 HG2 PRO A 3 1.241 -18.480 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.563 -19.611 1.098 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.014 -20.247 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.397 -20.893 2.679 1.00 0.00 H new ATOM 108 N PHE A 4 0.889 -15.616 4.138 1.00 0.00 N ATOM 109 CA PHE A 4 0.199 -14.341 3.977 1.00 0.00 C ATOM 110 C PHE A 4 1.156 -13.265 3.472 1.00 0.00 C ATOM 111 O PHE A 4 2.372 -13.375 3.632 1.00 0.00 O ATOM 112 CB PHE A 4 -0.425 -13.904 5.303 1.00 0.00 C ATOM 113 CG PHE A 4 0.538 -13.926 6.456 1.00 0.00 C ATOM 114 CD1 PHE A 4 0.781 -15.101 7.150 1.00 0.00 C ATOM 115 CD2 PHE A 4 1.201 -12.773 6.845 1.00 0.00 C ATOM 116 CE1 PHE A 4 1.667 -15.125 8.210 1.00 0.00 C ATOM 117 CE2 PHE A 4 2.088 -12.792 7.904 1.00 0.00 C ATOM 118 CZ PHE A 4 2.321 -13.969 8.589 1.00 0.00 C ATOM 0 H PHE A 4 1.653 -15.599 4.813 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.592 -14.474 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.824 -12.896 5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.267 -14.557 5.531 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.272 -16.008 6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.022 -11.849 6.314 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.848 -16.047 8.742 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.599 -11.887 8.196 1.00 0.00 H new ATOM 0 HZ PHE A 4 3.013 -13.985 9.418 1.00 0.00 H new ATOM 128 N LEU A 5 0.598 -12.225 2.863 1.00 0.00 N ATOM 129 CA LEU A 5 1.401 -11.127 2.334 1.00 0.00 C ATOM 130 C LEU A 5 1.247 -9.877 3.193 1.00 0.00 C ATOM 131 O LEU A 5 0.167 -9.597 3.713 1.00 0.00 O ATOM 132 CB LEU A 5 0.994 -10.822 0.891 1.00 0.00 C ATOM 133 CG LEU A 5 1.758 -11.579 -0.196 1.00 0.00 C ATOM 134 CD1 LEU A 5 1.207 -11.237 -1.572 1.00 0.00 C ATOM 135 CD2 LEU A 5 3.245 -11.263 -0.122 1.00 0.00 C ATOM 0 H LEU A 5 -0.407 -12.118 2.723 1.00 0.00 H new ATOM 0 HA LEU A 5 2.447 -11.432 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.068 -11.041 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.119 -9.753 0.718 1.00 0.00 H new ATOM 0 HG LEU A 5 1.625 -12.648 -0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.763 -11.785 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.154 -11.514 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.309 -10.166 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.773 -11.811 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.397 -10.193 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.632 -11.559 0.853 1.00 0.00 H new ATOM 147 N ARG A 6 2.335 -9.127 3.337 1.00 0.00 N ATOM 148 CA ARG A 6 2.321 -7.905 4.132 1.00 0.00 C ATOM 149 C ARG A 6 2.703 -6.697 3.281 1.00 0.00 C ATOM 150 O ARG A 6 3.881 -6.363 3.154 1.00 0.00 O ATOM 151 CB ARG A 6 3.280 -8.031 5.317 1.00 0.00 C ATOM 152 CG ARG A 6 3.284 -6.816 6.230 1.00 0.00 C ATOM 153 CD ARG A 6 2.243 -6.944 7.331 1.00 0.00 C ATOM 154 NE ARG A 6 2.553 -8.033 8.254 1.00 0.00 N ATOM 155 CZ ARG A 6 1.878 -8.261 9.375 1.00 0.00 C ATOM 156 NH1 ARG A 6 0.859 -7.481 9.709 1.00 0.00 N ATOM 157 NH2 ARG A 6 2.220 -9.272 10.163 1.00 0.00 N ATOM 0 H ARG A 6 3.237 -9.344 2.913 1.00 0.00 H new ATOM 0 HA ARG A 6 1.308 -7.758 4.507 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.010 -8.912 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.290 -8.195 4.940 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.272 -6.696 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.087 -5.918 5.644 1.00 0.00 H new ATOM 0 HD2 ARG A 6 2.183 -6.006 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 6 1.263 -7.115 6.885 1.00 0.00 H new ATOM 0 HE ARG A 6 3.330 -8.652 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.592 -6.704 9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.342 -7.658 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.002 -9.875 9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.701 -9.446 11.024 1.00 0.00 H new ATOM 171 N ILE A 7 1.699 -6.049 2.700 1.00 0.00 N ATOM 172 CA ILE A 7 1.930 -4.879 1.862 1.00 0.00 C ATOM 173 C ILE A 7 1.903 -3.597 2.687 1.00 0.00 C ATOM 174 O ILE A 7 1.067 -3.436 3.576 1.00 0.00 O ATOM 175 CB ILE A 7 0.882 -4.775 0.738 1.00 0.00 C ATOM 176 CG1 ILE A 7 0.901 -6.038 -0.125 1.00 0.00 C ATOM 177 CG2 ILE A 7 1.139 -3.541 -0.113 1.00 0.00 C ATOM 178 CD1 ILE A 7 0.007 -7.141 0.398 1.00 0.00 C ATOM 0 H ILE A 7 0.719 -6.314 2.794 1.00 0.00 H new ATOM 0 HA ILE A 7 2.917 -5.001 1.417 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.106 -4.681 1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.592 -5.781 -1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.924 -6.410 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.390 -3.481 -0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.079 -2.650 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.132 -3.606 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.070 -8.005 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.329 -7.426 1.400 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.023 -6.787 0.435 1.00 0.00 H new ATOM 190 N GLY A 8 2.822 -2.685 2.385 1.00 0.00 N ATOM 191 CA GLY A 8 2.884 -1.427 3.107 1.00 0.00 C ATOM 192 C GLY A 8 2.937 -0.229 2.181 1.00 0.00 C ATOM 193 O GLY A 8 3.789 -0.157 1.294 1.00 0.00 O ATOM 0 H GLY A 8 3.524 -2.795 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.013 -1.342 3.757 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.764 -1.424 3.751 1.00 0.00 H new ATOM 197 N LEU A 9 2.023 0.714 2.384 1.00 0.00 N ATOM 198 CA LEU A 9 1.967 1.915 1.558 1.00 0.00 C ATOM 199 C LEU A 9 2.508 3.123 2.317 1.00 0.00 C ATOM 200 O LEU A 9 2.183 3.331 3.486 1.00 0.00 O ATOM 201 CB LEU A 9 0.530 2.183 1.109 1.00 0.00 C ATOM 202 CG LEU A 9 -0.191 1.016 0.434 1.00 0.00 C ATOM 203 CD1 LEU A 9 -1.674 1.317 0.286 1.00 0.00 C ATOM 204 CD2 LEU A 9 0.433 0.717 -0.922 1.00 0.00 C ATOM 0 H LEU A 9 1.311 0.670 3.113 1.00 0.00 H new ATOM 0 HA LEU A 9 2.591 1.751 0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.051 2.488 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.537 3.027 0.419 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.083 0.134 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.170 0.475 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.112 1.481 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.805 2.212 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.092 -0.116 -1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.356 1.597 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.483 0.456 -0.790 1.00 0.00 H new ATOM 216 N SER A 10 3.334 3.918 1.643 1.00 0.00 N ATOM 217 CA SER A 10 3.921 5.104 2.254 1.00 0.00 C ATOM 218 C SER A 10 4.383 6.093 1.188 1.00 0.00 C ATOM 219 O SER A 10 4.530 5.737 0.019 1.00 0.00 O ATOM 220 CB SER A 10 5.100 4.713 3.148 1.00 0.00 C ATOM 221 OG SER A 10 5.800 3.604 2.612 1.00 0.00 O ATOM 0 H SER A 10 3.611 3.762 0.674 1.00 0.00 H new ATOM 0 HA SER A 10 3.156 5.585 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.778 5.560 3.252 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.738 4.470 4.147 1.00 0.00 H new ATOM 0 HG SER A 10 6.549 3.375 3.200 1.00 0.00 H new ATOM 227 N ASN A 11 4.609 7.336 1.600 1.00 0.00 N ATOM 228 CA ASN A 11 5.053 8.377 0.681 1.00 0.00 C ATOM 229 C ASN A 11 4.037 8.586 -0.438 1.00 0.00 C ATOM 230 O ASN A 11 4.384 8.568 -1.619 1.00 0.00 O ATOM 231 CB ASN A 11 6.415 8.014 0.085 1.00 0.00 C ATOM 232 CG ASN A 11 7.464 7.765 1.152 1.00 0.00 C ATOM 233 OD1 ASN A 11 7.876 8.684 1.859 1.00 0.00 O ATOM 234 ND2 ASN A 11 7.902 6.516 1.271 1.00 0.00 N ATOM 0 H ASN A 11 4.492 7.647 2.564 1.00 0.00 H new ATOM 0 HA ASN A 11 5.145 9.306 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.312 7.123 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.749 8.820 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 11 8.608 6.288 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.532 5.786 0.663 1.00 0.00 H new ATOM 241 N PHE A 12 2.779 8.784 -0.057 1.00 0.00 N ATOM 242 CA PHE A 12 1.711 8.996 -1.027 1.00 0.00 C ATOM 243 C PHE A 12 1.720 10.433 -1.540 1.00 0.00 C ATOM 244 O PHE A 12 1.622 11.382 -0.762 1.00 0.00 O ATOM 245 CB PHE A 12 0.353 8.675 -0.400 1.00 0.00 C ATOM 246 CG PHE A 12 -0.811 9.003 -1.290 1.00 0.00 C ATOM 247 CD1 PHE A 12 -0.840 8.564 -2.604 1.00 0.00 C ATOM 248 CD2 PHE A 12 -1.877 9.750 -0.814 1.00 0.00 C ATOM 249 CE1 PHE A 12 -1.910 8.865 -3.426 1.00 0.00 C ATOM 250 CE2 PHE A 12 -2.949 10.053 -1.631 1.00 0.00 C ATOM 251 CZ PHE A 12 -2.966 9.610 -2.939 1.00 0.00 C ATOM 0 H PHE A 12 2.474 8.802 0.916 1.00 0.00 H new ATOM 0 HA PHE A 12 1.882 8.327 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.320 7.615 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.253 9.228 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.018 7.980 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.870 10.099 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.920 8.518 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.773 10.636 -1.247 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.803 9.846 -3.579 1.00 0.00 H new ATOM 261 N ASP A 13 1.838 10.584 -2.855 1.00 0.00 N ATOM 262 CA ASP A 13 1.859 11.904 -3.474 1.00 0.00 C ATOM 263 C ASP A 13 0.613 12.126 -4.325 1.00 0.00 C ATOM 264 O ASP A 13 0.348 11.373 -5.263 1.00 0.00 O ATOM 265 CB ASP A 13 3.115 12.068 -4.332 1.00 0.00 C ATOM 266 CG ASP A 13 4.378 12.156 -3.500 1.00 0.00 C ATOM 267 OD1 ASP A 13 4.268 12.200 -2.257 1.00 0.00 O ATOM 268 OD2 ASP A 13 5.478 12.180 -4.091 1.00 0.00 O ATOM 0 H ASP A 13 1.921 9.809 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 13 1.871 12.650 -2.680 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.194 11.226 -5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.021 12.968 -4.940 1.00 0.00 H new ATOM 273 N CYS A 14 -0.148 13.162 -3.991 1.00 0.00 N ATOM 274 CA CYS A 14 -1.368 13.481 -4.724 1.00 0.00 C ATOM 275 C CYS A 14 -1.183 14.740 -5.566 1.00 0.00 C ATOM 276 O CYS A 14 -2.149 15.428 -5.892 1.00 0.00 O ATOM 277 CB CYS A 14 -2.536 13.669 -3.755 1.00 0.00 C ATOM 278 SG CYS A 14 -2.352 15.082 -2.642 1.00 0.00 S ATOM 0 H CYS A 14 0.058 13.795 -3.218 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.589 12.648 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.455 13.790 -4.329 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.649 12.763 -3.159 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.390 15.159 -1.863 1.00 0.00 H new ATOM 431 N PRO A 27 -7.923 11.992 4.974 1.00 0.00 N ATOM 432 CA PRO A 27 -8.346 11.084 3.903 1.00 0.00 C ATOM 433 C PRO A 27 -8.073 9.623 4.241 1.00 0.00 C ATOM 434 O PRO A 27 -7.269 9.318 5.121 1.00 0.00 O ATOM 435 CB PRO A 27 -7.497 11.525 2.709 1.00 0.00 C ATOM 436 CG PRO A 27 -6.288 12.152 3.314 1.00 0.00 C ATOM 437 CD PRO A 27 -6.751 12.797 4.590 1.00 0.00 C ATOM 0 HA PRO A 27 -9.420 11.138 3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.230 10.677 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.037 12.232 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.518 11.406 3.511 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.852 12.889 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.977 12.771 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.015 13.844 4.438 1.00 0.00 H new ATOM 445 N TYR A 28 -8.747 8.722 3.534 1.00 0.00 N ATOM 446 CA TYR A 28 -8.578 7.291 3.760 1.00 0.00 C ATOM 447 C TYR A 28 -8.732 6.512 2.458 1.00 0.00 C ATOM 448 O TYR A 28 -9.621 6.795 1.653 1.00 0.00 O ATOM 449 CB TYR A 28 -9.595 6.793 4.789 1.00 0.00 C ATOM 450 CG TYR A 28 -11.021 6.809 4.287 1.00 0.00 C ATOM 451 CD1 TYR A 28 -11.813 7.943 4.420 1.00 0.00 C ATOM 452 CD2 TYR A 28 -11.577 5.689 3.680 1.00 0.00 C ATOM 453 CE1 TYR A 28 -13.117 7.961 3.963 1.00 0.00 C ATOM 454 CE2 TYR A 28 -12.880 5.699 3.219 1.00 0.00 C ATOM 455 CZ TYR A 28 -13.645 6.837 3.364 1.00 0.00 C ATOM 456 OH TYR A 28 -14.943 6.852 2.907 1.00 0.00 O ATOM 0 H TYR A 28 -9.415 8.957 2.800 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.571 7.126 4.144 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.334 5.777 5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -9.527 7.412 5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -11.402 8.825 4.888 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.981 4.796 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -13.719 8.851 4.074 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -13.296 4.821 2.748 1.00 0.00 H new ATOM 0 HH TYR A 28 -15.160 5.983 2.510 1.00 0.00 H new ATOM 466 N CYS A 29 -7.860 5.530 2.257 1.00 0.00 N ATOM 467 CA CYS A 29 -7.898 4.709 1.052 1.00 0.00 C ATOM 468 C CYS A 29 -8.736 3.454 1.275 1.00 0.00 C ATOM 469 O CYS A 29 -8.719 2.869 2.358 1.00 0.00 O ATOM 470 CB CYS A 29 -6.480 4.321 0.630 1.00 0.00 C ATOM 471 SG CYS A 29 -5.558 5.654 -0.172 1.00 0.00 S ATOM 0 H CYS A 29 -7.119 5.283 2.912 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.359 5.295 0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -5.928 3.990 1.510 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.535 3.471 -0.050 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.807 6.251 0.705 1.00 0.00 H new ATOM 477 N ALA A 30 -9.468 3.047 0.244 1.00 0.00 N ATOM 478 CA ALA A 30 -10.313 1.862 0.327 1.00 0.00 C ATOM 479 C ALA A 30 -9.665 0.676 -0.378 1.00 0.00 C ATOM 480 O ALA A 30 -9.379 0.732 -1.574 1.00 0.00 O ATOM 481 CB ALA A 30 -11.684 2.148 -0.268 1.00 0.00 C ATOM 0 H ALA A 30 -9.493 3.520 -0.659 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.433 1.605 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.304 1.254 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.157 2.961 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.574 2.434 -1.314 1.00 0.00 H new ATOM 487 N VAL A 31 -9.434 -0.398 0.371 1.00 0.00 N ATOM 488 CA VAL A 31 -8.820 -1.599 -0.183 1.00 0.00 C ATOM 489 C VAL A 31 -9.861 -2.684 -0.433 1.00 0.00 C ATOM 490 O VAL A 31 -10.210 -3.445 0.471 1.00 0.00 O ATOM 491 CB VAL A 31 -7.730 -2.155 0.753 1.00 0.00 C ATOM 492 CG1 VAL A 31 -7.117 -3.418 0.168 1.00 0.00 C ATOM 493 CG2 VAL A 31 -6.661 -1.103 1.009 1.00 0.00 C ATOM 0 H VAL A 31 -9.663 -0.461 1.363 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.364 -1.312 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.191 -2.412 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.349 -3.796 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.892 -4.173 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.669 -3.191 -0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.899 -1.513 1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.202 -0.813 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.115 -0.229 1.475 1.00 0.00 H new ATOM 503 N LEU A 32 -10.354 -2.750 -1.664 1.00 0.00 N ATOM 504 CA LEU A 32 -11.357 -3.744 -2.035 1.00 0.00 C ATOM 505 C LEU A 32 -10.702 -5.081 -2.365 1.00 0.00 C ATOM 506 O LEU A 32 -9.716 -5.137 -3.100 1.00 0.00 O ATOM 507 CB LEU A 32 -12.172 -3.252 -3.232 1.00 0.00 C ATOM 508 CG LEU A 32 -13.014 -1.997 -3.001 1.00 0.00 C ATOM 509 CD1 LEU A 32 -12.199 -0.747 -3.291 1.00 0.00 C ATOM 510 CD2 LEU A 32 -14.268 -2.031 -3.863 1.00 0.00 C ATOM 0 H LEU A 32 -10.076 -2.128 -2.423 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.023 -3.888 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.487 -3.059 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.835 -4.057 -3.550 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.317 -1.973 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.815 0.136 -3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.332 -0.717 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.865 -0.763 -4.329 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.856 -1.130 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.985 -2.079 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.862 -2.908 -3.606 1.00 0.00 H new ATOM 522 N VAL A 33 -11.258 -6.157 -1.818 1.00 0.00 N ATOM 523 CA VAL A 33 -10.731 -7.495 -2.057 1.00 0.00 C ATOM 524 C VAL A 33 -11.769 -8.383 -2.734 1.00 0.00 C ATOM 525 O VAL A 33 -12.845 -8.628 -2.186 1.00 0.00 O ATOM 526 CB VAL A 33 -10.278 -8.163 -0.745 1.00 0.00 C ATOM 527 CG1 VAL A 33 -9.579 -9.484 -1.031 1.00 0.00 C ATOM 528 CG2 VAL A 33 -9.369 -7.229 0.041 1.00 0.00 C ATOM 0 H VAL A 33 -12.074 -6.128 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.870 -7.382 -2.715 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.160 -8.370 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -9.266 -9.941 -0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.265 -10.154 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -8.704 -9.305 -1.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.058 -7.716 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.489 -6.989 -0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.908 -6.312 0.278 1.00 0.00 H new ATOM 538 N LYS A 34 -11.441 -8.864 -3.928 1.00 0.00 N ATOM 539 CA LYS A 34 -12.344 -9.726 -4.681 1.00 0.00 C ATOM 540 C LYS A 34 -11.817 -11.157 -4.728 1.00 0.00 C ATOM 541 O LYS A 34 -10.743 -11.449 -4.204 1.00 0.00 O ATOM 542 CB LYS A 34 -12.526 -9.191 -6.103 1.00 0.00 C ATOM 543 CG LYS A 34 -12.769 -7.693 -6.163 1.00 0.00 C ATOM 544 CD LYS A 34 -12.958 -7.216 -7.594 1.00 0.00 C ATOM 545 CE LYS A 34 -12.670 -5.729 -7.727 1.00 0.00 C ATOM 546 NZ LYS A 34 -13.243 -5.163 -8.980 1.00 0.00 N ATOM 0 H LYS A 34 -10.555 -8.671 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 34 -13.309 -9.729 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.638 -9.430 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.365 -9.706 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.652 -7.443 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.927 -7.168 -5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.298 -7.776 -8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.979 -7.420 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.083 -5.201 -6.868 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.592 -5.565 -7.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.025 -4.147 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.830 -5.649 -9.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.274 -5.296 -8.981 1.00 0.00 H new ATOM 809 N PRO A 50 -15.504 -7.427 2.707 1.00 0.00 N ATOM 810 CA PRO A 50 -15.926 -6.025 2.629 1.00 0.00 C ATOM 811 C PRO A 50 -14.745 -5.072 2.479 1.00 0.00 C ATOM 812 O PRO A 50 -13.588 -5.493 2.491 1.00 0.00 O ATOM 813 CB PRO A 50 -16.633 -5.792 3.967 1.00 0.00 C ATOM 814 CG PRO A 50 -16.032 -6.793 4.893 1.00 0.00 C ATOM 815 CD PRO A 50 -15.710 -7.996 4.050 1.00 0.00 C ATOM 0 HA PRO A 50 -16.556 -5.837 1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -16.475 -4.775 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -17.710 -5.934 3.876 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -15.134 -6.397 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.726 -7.051 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.819 -8.511 4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.523 -8.722 4.058 1.00 0.00 H new ATOM 823 N THR A 51 -15.044 -3.784 2.337 1.00 0.00 N ATOM 824 CA THR A 51 -14.008 -2.771 2.183 1.00 0.00 C ATOM 825 C THR A 51 -13.042 -2.789 3.363 1.00 0.00 C ATOM 826 O THR A 51 -13.449 -2.992 4.506 1.00 0.00 O ATOM 827 CB THR A 51 -14.614 -1.362 2.052 1.00 0.00 C ATOM 828 OG1 THR A 51 -15.767 -1.401 1.203 1.00 0.00 O ATOM 829 CG2 THR A 51 -13.595 -0.384 1.488 1.00 0.00 C ATOM 0 H THR A 51 -15.996 -3.418 2.326 1.00 0.00 H new ATOM 0 HA THR A 51 -13.465 -3.011 1.269 1.00 0.00 H new ATOM 0 HB THR A 51 -14.907 -1.023 3.046 1.00 0.00 H new ATOM 0 HG1 THR A 51 -16.147 -0.501 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.047 0.604 1.405 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.732 -0.334 2.152 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.275 -0.721 0.502 1.00 0.00 H new ATOM 837 N MET A 52 -11.762 -2.575 3.077 1.00 0.00 N ATOM 838 CA MET A 52 -10.739 -2.565 4.116 1.00 0.00 C ATOM 839 C MET A 52 -10.175 -1.161 4.310 1.00 0.00 C ATOM 840 O MET A 52 -10.168 -0.351 3.383 1.00 0.00 O ATOM 841 CB MET A 52 -9.611 -3.536 3.760 1.00 0.00 C ATOM 842 CG MET A 52 -9.846 -4.951 4.261 1.00 0.00 C ATOM 843 SD MET A 52 -8.314 -5.878 4.470 1.00 0.00 S ATOM 844 CE MET A 52 -7.498 -5.539 2.912 1.00 0.00 C ATOM 0 H MET A 52 -11.409 -2.406 2.135 1.00 0.00 H new ATOM 0 HA MET A 52 -11.202 -2.884 5.050 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.490 -3.558 2.677 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.676 -3.162 4.177 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.375 -4.912 5.213 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.492 -5.478 3.559 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.698 -6.263 2.755 1.00 0.00 H new ATOM 0 HE2 MET A 52 -8.220 -5.614 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 52 -7.078 -4.533 2.932 1.00 0.00 H new ATOM 854 N TYR A 53 -9.705 -0.880 5.520 1.00 0.00 N ATOM 855 CA TYR A 53 -9.142 0.428 5.836 1.00 0.00 C ATOM 856 C TYR A 53 -7.789 0.286 6.526 1.00 0.00 C ATOM 857 O TYR A 53 -7.671 0.365 7.749 1.00 0.00 O ATOM 858 CB TYR A 53 -10.101 1.218 6.727 1.00 0.00 C ATOM 859 CG TYR A 53 -11.472 1.412 6.119 1.00 0.00 C ATOM 860 CD1 TYR A 53 -11.617 1.918 4.833 1.00 0.00 C ATOM 861 CD2 TYR A 53 -12.621 1.091 6.830 1.00 0.00 C ATOM 862 CE1 TYR A 53 -12.867 2.098 4.273 1.00 0.00 C ATOM 863 CE2 TYR A 53 -13.875 1.266 6.277 1.00 0.00 C ATOM 864 CZ TYR A 53 -13.993 1.770 4.999 1.00 0.00 C ATOM 865 OH TYR A 53 -15.240 1.948 4.445 1.00 0.00 O ATOM 0 H TYR A 53 -9.702 -1.540 6.298 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.998 0.969 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.206 0.702 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -9.665 2.194 6.939 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -10.737 2.175 4.261 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.533 0.698 7.832 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.962 2.493 3.272 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.758 1.009 6.843 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.926 1.668 5.086 1.00 0.00 H new ATOM 875 N PRO A 54 -6.736 0.071 5.724 1.00 0.00 N ATOM 876 CA PRO A 54 -5.417 -0.070 6.349 1.00 0.00 C ATOM 877 C PRO A 54 -4.909 1.243 6.933 1.00 0.00 C ATOM 878 O PRO A 54 -5.378 2.329 6.591 1.00 0.00 O ATOM 879 CB PRO A 54 -4.523 -0.522 5.192 1.00 0.00 C ATOM 880 CG PRO A 54 -5.198 -0.008 3.967 1.00 0.00 C ATOM 881 CD PRO A 54 -6.673 -0.053 4.258 1.00 0.00 C ATOM 0 HA PRO A 54 -5.436 -0.765 7.188 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.516 -0.117 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.428 -1.608 5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.876 1.008 3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.952 -0.621 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.205 0.759 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.122 -0.985 3.914 1.00 0.00 H new ATOM 889 N PRO A 55 -3.924 1.148 7.838 1.00 0.00 N ATOM 890 CA PRO A 55 -3.408 2.390 8.421 1.00 0.00 C ATOM 891 C PRO A 55 -2.621 3.220 7.413 1.00 0.00 C ATOM 892 O PRO A 55 -2.496 2.845 6.248 1.00 0.00 O ATOM 893 CB PRO A 55 -2.490 1.900 9.544 1.00 0.00 C ATOM 894 CG PRO A 55 -2.073 0.533 9.122 1.00 0.00 C ATOM 895 CD PRO A 55 -3.240 -0.043 8.370 1.00 0.00 C ATOM 0 HA PRO A 55 -4.210 3.044 8.763 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.629 2.557 9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.012 1.877 10.501 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.184 0.573 8.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.823 -0.083 9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.914 -0.710 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.892 -0.623 9.023 1.00 0.00 H new ATOM 903 N TRP A 56 -2.092 4.349 7.870 1.00 0.00 N ATOM 904 CA TRP A 56 -1.315 5.233 7.008 1.00 0.00 C ATOM 905 C TRP A 56 0.177 5.089 7.283 1.00 0.00 C ATOM 906 O TRP A 56 0.604 5.057 8.438 1.00 0.00 O ATOM 907 CB TRP A 56 -1.747 6.686 7.211 1.00 0.00 C ATOM 908 CG TRP A 56 -2.859 7.109 6.299 1.00 0.00 C ATOM 909 CD1 TRP A 56 -4.109 7.518 6.667 1.00 0.00 C ATOM 910 CD2 TRP A 56 -2.821 7.162 4.869 1.00 0.00 C ATOM 911 NE1 TRP A 56 -4.851 7.822 5.551 1.00 0.00 N ATOM 912 CE2 TRP A 56 -4.083 7.613 4.436 1.00 0.00 C ATOM 913 CE3 TRP A 56 -1.844 6.874 3.913 1.00 0.00 C ATOM 914 CZ2 TRP A 56 -4.391 7.781 3.088 1.00 0.00 C ATOM 915 CZ3 TRP A 56 -2.151 7.041 2.576 1.00 0.00 C ATOM 916 CH2 TRP A 56 -3.415 7.491 2.173 1.00 0.00 C ATOM 0 H TRP A 56 -2.187 4.674 8.832 1.00 0.00 H new ATOM 0 HA TRP A 56 -1.503 4.947 5.973 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.063 6.822 8.245 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -0.888 7.338 7.052 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.462 7.592 7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.817 8.150 5.553 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.866 6.527 4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -5.365 8.128 2.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.403 6.821 1.829 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.623 7.611 1.120 1.00 0.00 H new ATOM 927 N ASP A 57 0.966 5.004 6.218 1.00 0.00 N ATOM 928 CA ASP A 57 2.412 4.866 6.346 1.00 0.00 C ATOM 929 C ASP A 57 2.768 3.647 7.192 1.00 0.00 C ATOM 930 O ASP A 57 3.827 3.602 7.818 1.00 0.00 O ATOM 931 CB ASP A 57 3.014 6.127 6.967 1.00 0.00 C ATOM 932 CG ASP A 57 3.174 7.249 5.960 1.00 0.00 C ATOM 933 OD1 ASP A 57 2.175 7.597 5.296 1.00 0.00 O ATOM 934 OD2 ASP A 57 4.298 7.779 5.836 1.00 0.00 O ATOM 0 H ASP A 57 0.628 5.028 5.256 1.00 0.00 H new ATOM 0 HA ASP A 57 2.829 4.728 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.378 6.465 7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.986 5.888 7.398 1.00 0.00 H new ATOM 939 N SER A 58 1.876 2.662 7.206 1.00 0.00 N ATOM 940 CA SER A 58 2.094 1.445 7.979 1.00 0.00 C ATOM 941 C SER A 58 1.871 0.206 7.116 1.00 0.00 C ATOM 942 O SER A 58 1.389 0.299 5.987 1.00 0.00 O ATOM 943 CB SER A 58 1.161 1.411 9.191 1.00 0.00 C ATOM 944 OG SER A 58 1.759 2.037 10.312 1.00 0.00 O ATOM 0 H SER A 58 0.996 2.683 6.691 1.00 0.00 H new ATOM 0 HA SER A 58 3.128 1.444 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.224 1.912 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.915 0.378 9.436 1.00 0.00 H new ATOM 0 HG SER A 58 1.142 2.004 11.073 1.00 0.00 H new ATOM 950 N THR A 59 2.227 -0.956 7.657 1.00 0.00 N ATOM 951 CA THR A 59 2.068 -2.213 6.938 1.00 0.00 C ATOM 952 C THR A 59 0.864 -2.993 7.455 1.00 0.00 C ATOM 953 O THR A 59 0.606 -3.030 8.659 1.00 0.00 O ATOM 954 CB THR A 59 3.326 -3.093 7.060 1.00 0.00 C ATOM 955 OG1 THR A 59 3.980 -2.843 8.309 1.00 0.00 O ATOM 956 CG2 THR A 59 4.290 -2.820 5.915 1.00 0.00 C ATOM 0 H THR A 59 2.627 -1.051 8.590 1.00 0.00 H new ATOM 0 HA THR A 59 1.911 -1.960 5.889 1.00 0.00 H new ATOM 0 HB THR A 59 3.017 -4.137 7.014 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.778 -3.408 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.171 -3.453 6.022 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.799 -3.039 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.591 -1.773 5.935 1.00 0.00 H new ATOM 964 N PHE A 60 0.131 -3.617 6.539 1.00 0.00 N ATOM 965 CA PHE A 60 -1.046 -4.397 6.903 1.00 0.00 C ATOM 966 C PHE A 60 -0.922 -5.834 6.404 1.00 0.00 C ATOM 967 O PHE A 60 -0.204 -6.108 5.442 1.00 0.00 O ATOM 968 CB PHE A 60 -2.309 -3.752 6.328 1.00 0.00 C ATOM 969 CG PHE A 60 -2.321 -3.692 4.827 1.00 0.00 C ATOM 970 CD1 PHE A 60 -2.840 -4.738 4.082 1.00 0.00 C ATOM 971 CD2 PHE A 60 -1.813 -2.588 4.161 1.00 0.00 C ATOM 972 CE1 PHE A 60 -2.851 -4.685 2.701 1.00 0.00 C ATOM 973 CE2 PHE A 60 -1.822 -2.529 2.780 1.00 0.00 C ATOM 974 CZ PHE A 60 -2.343 -3.579 2.049 1.00 0.00 C ATOM 0 H PHE A 60 0.331 -3.598 5.539 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.118 -4.414 7.990 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.180 -4.312 6.668 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -2.404 -2.741 6.725 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.241 -5.605 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.405 -1.764 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.257 -5.508 2.132 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.422 -1.663 2.273 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.353 -3.535 0.970 1.00 0.00 H new ATOM 984 N ASP A 61 -1.627 -6.746 7.064 1.00 0.00 N ATOM 985 CA ASP A 61 -1.597 -8.154 6.689 1.00 0.00 C ATOM 986 C ASP A 61 -2.683 -8.466 5.664 1.00 0.00 C ATOM 987 O ASP A 61 -3.770 -7.893 5.703 1.00 0.00 O ATOM 988 CB ASP A 61 -1.775 -9.038 7.925 1.00 0.00 C ATOM 989 CG ASP A 61 -3.057 -8.732 8.674 1.00 0.00 C ATOM 990 OD1 ASP A 61 -4.100 -9.329 8.334 1.00 0.00 O ATOM 991 OD2 ASP A 61 -3.018 -7.895 9.601 1.00 0.00 O ATOM 0 H ASP A 61 -2.226 -6.535 7.862 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.627 -8.364 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.775 -10.085 7.623 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.925 -8.899 8.593 1.00 0.00 H new ATOM 996 N ALA A 62 -2.379 -9.379 4.747 1.00 0.00 N ATOM 997 CA ALA A 62 -3.329 -9.768 3.712 1.00 0.00 C ATOM 998 C ALA A 62 -3.448 -11.285 3.618 1.00 0.00 C ATOM 999 O ALA A 62 -2.460 -12.006 3.764 1.00 0.00 O ATOM 1000 CB ALA A 62 -2.914 -9.186 2.369 1.00 0.00 C ATOM 0 H ALA A 62 -1.482 -9.863 4.700 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.306 -9.369 3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.632 -9.485 1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.887 -8.098 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.925 -9.557 2.102 1.00 0.00 H new ATOM 1006 N HIS A 63 -4.664 -11.765 3.375 1.00 0.00 N ATOM 1007 CA HIS A 63 -4.912 -13.198 3.263 1.00 0.00 C ATOM 1008 C HIS A 63 -4.705 -13.674 1.828 1.00 0.00 C ATOM 1009 O HIS A 63 -5.124 -13.013 0.878 1.00 0.00 O ATOM 1010 CB HIS A 63 -6.332 -13.529 3.722 1.00 0.00 C ATOM 1011 CG HIS A 63 -6.714 -14.961 3.506 1.00 0.00 C ATOM 1012 ND1 HIS A 63 -6.640 -15.917 4.497 1.00 0.00 N ATOM 1013 CD2 HIS A 63 -7.176 -15.598 2.404 1.00 0.00 C ATOM 1014 CE1 HIS A 63 -7.038 -17.080 4.014 1.00 0.00 C ATOM 1015 NE2 HIS A 63 -7.369 -16.914 2.746 1.00 0.00 N ATOM 0 H HIS A 63 -5.492 -11.183 3.252 1.00 0.00 H new ATOM 0 HA HIS A 63 -4.201 -13.716 3.906 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.427 -13.292 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -7.035 -12.890 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.359 -15.154 1.437 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.085 -18.009 4.563 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.712 -17.644 2.122 1.00 0.00 H new ATOM 1023 N ILE A 64 -4.054 -14.823 1.679 1.00 0.00 N ATOM 1024 CA ILE A 64 -3.792 -15.387 0.361 1.00 0.00 C ATOM 1025 C ILE A 64 -4.563 -16.687 0.156 1.00 0.00 C ATOM 1026 O ILE A 64 -4.537 -17.576 1.005 1.00 0.00 O ATOM 1027 CB ILE A 64 -2.290 -15.656 0.153 1.00 0.00 C ATOM 1028 CG1 ILE A 64 -1.470 -14.423 0.540 1.00 0.00 C ATOM 1029 CG2 ILE A 64 -2.018 -16.047 -1.292 1.00 0.00 C ATOM 1030 CD1 ILE A 64 0.024 -14.633 0.432 1.00 0.00 C ATOM 0 H ILE A 64 -3.698 -15.381 2.455 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.126 -14.650 -0.370 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.992 -16.484 0.796 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.759 -13.589 -0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.716 -14.140 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.952 -16.234 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.578 -16.950 -1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.329 -15.238 -1.953 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.542 -13.719 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.326 -15.446 1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.282 -14.886 -0.596 1.00 0.00 H new ATOM 1042 N ASN A 65 -5.248 -16.789 -0.979 1.00 0.00 N ATOM 1043 CA ASN A 65 -6.025 -17.981 -1.297 1.00 0.00 C ATOM 1044 C ASN A 65 -5.697 -18.486 -2.699 1.00 0.00 C ATOM 1045 O ASN A 65 -5.010 -19.494 -2.863 1.00 0.00 O ATOM 1046 CB ASN A 65 -7.522 -17.683 -1.188 1.00 0.00 C ATOM 1047 CG ASN A 65 -8.373 -18.732 -1.878 1.00 0.00 C ATOM 1048 OD1 ASN A 65 -8.852 -18.524 -2.993 1.00 0.00 O ATOM 1049 ND2 ASN A 65 -8.564 -19.867 -1.216 1.00 0.00 N ATOM 0 H ASN A 65 -5.280 -16.061 -1.693 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.762 -18.758 -0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.803 -17.626 -0.136 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.728 -16.706 -1.626 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.127 -20.610 -1.630 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.148 -19.996 -0.294 1.00 0.00 H new ATOM 1056 N LYS A 66 -6.193 -17.778 -3.708 1.00 0.00 N ATOM 1057 CA LYS A 66 -5.952 -18.152 -5.097 1.00 0.00 C ATOM 1058 C LYS A 66 -6.528 -17.109 -6.049 1.00 0.00 C ATOM 1059 O LYS A 66 -7.697 -16.739 -5.947 1.00 0.00 O ATOM 1060 CB LYS A 66 -6.567 -19.522 -5.392 1.00 0.00 C ATOM 1061 CG LYS A 66 -5.841 -20.293 -6.481 1.00 0.00 C ATOM 1062 CD LYS A 66 -6.109 -21.785 -6.381 1.00 0.00 C ATOM 1063 CE LYS A 66 -5.917 -22.477 -7.721 1.00 0.00 C ATOM 1064 NZ LYS A 66 -4.494 -22.447 -8.162 1.00 0.00 N ATOM 0 H LYS A 66 -6.765 -16.942 -3.590 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.874 -18.203 -5.251 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.568 -20.115 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.608 -19.388 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -6.159 -19.930 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.769 -20.109 -6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.440 -22.227 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.127 -21.950 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.253 -23.511 -7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.540 -21.993 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.405 -22.929 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.181 -21.460 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.902 -22.931 -7.457 1.00 0.00 H new ATOM 1078 N GLY A 67 -5.700 -16.639 -6.977 1.00 0.00 N ATOM 1079 CA GLY A 67 -6.146 -15.644 -7.935 1.00 0.00 C ATOM 1080 C GLY A 67 -6.767 -14.434 -7.266 1.00 0.00 C ATOM 1081 O GLY A 67 -7.609 -13.755 -7.855 1.00 0.00 O ATOM 0 H GLY A 67 -4.728 -16.930 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.300 -15.325 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.873 -16.095 -8.611 1.00 0.00 H new ATOM 1085 N ARG A 68 -6.353 -14.163 -6.033 1.00 0.00 N ATOM 1086 CA ARG A 68 -6.877 -13.028 -5.283 1.00 0.00 C ATOM 1087 C ARG A 68 -6.340 -11.713 -5.841 1.00 0.00 C ATOM 1088 O ARG A 68 -5.194 -11.637 -6.286 1.00 0.00 O ATOM 1089 CB ARG A 68 -6.510 -13.154 -3.803 1.00 0.00 C ATOM 1090 CG ARG A 68 -7.497 -12.472 -2.870 1.00 0.00 C ATOM 1091 CD ARG A 68 -7.316 -12.933 -1.433 1.00 0.00 C ATOM 1092 NE ARG A 68 -8.537 -12.773 -0.649 1.00 0.00 N ATOM 1093 CZ ARG A 68 -9.590 -13.577 -0.756 1.00 0.00 C ATOM 1094 NH1 ARG A 68 -9.570 -14.591 -1.609 1.00 0.00 N ATOM 1095 NH2 ARG A 68 -10.665 -13.367 -0.007 1.00 0.00 N ATOM 0 H ARG A 68 -5.656 -14.714 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.962 -13.029 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.447 -14.210 -3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.520 -12.727 -3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.365 -11.391 -2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.515 -12.686 -3.196 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.014 -13.980 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.510 -12.365 -0.969 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.585 -12.002 0.017 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.745 -14.756 -2.186 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.380 -15.206 -1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.684 -12.588 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.473 -13.984 -0.090 1.00 0.00 H new ATOM 1109 N VAL A 69 -7.175 -10.680 -5.814 1.00 0.00 N ATOM 1110 CA VAL A 69 -6.785 -9.368 -6.316 1.00 0.00 C ATOM 1111 C VAL A 69 -7.063 -8.280 -5.285 1.00 0.00 C ATOM 1112 O VAL A 69 -7.861 -8.469 -4.368 1.00 0.00 O ATOM 1113 CB VAL A 69 -7.525 -9.024 -7.622 1.00 0.00 C ATOM 1114 CG1 VAL A 69 -6.980 -9.848 -8.779 1.00 0.00 C ATOM 1115 CG2 VAL A 69 -9.022 -9.243 -7.459 1.00 0.00 C ATOM 0 H VAL A 69 -8.127 -10.726 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.714 -9.411 -6.515 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.357 -7.971 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.515 -9.591 -9.693 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.919 -9.636 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.115 -10.908 -8.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.530 -8.995 -8.391 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.212 -10.287 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.398 -8.604 -6.660 1.00 0.00 H new ATOM 1125 N MET A 70 -6.398 -7.139 -5.443 1.00 0.00 N ATOM 1126 CA MET A 70 -6.575 -6.019 -4.526 1.00 0.00 C ATOM 1127 C MET A 70 -6.748 -4.712 -5.293 1.00 0.00 C ATOM 1128 O MET A 70 -6.043 -4.457 -6.268 1.00 0.00 O ATOM 1129 CB MET A 70 -5.379 -5.914 -3.578 1.00 0.00 C ATOM 1130 CG MET A 70 -5.381 -4.649 -2.735 1.00 0.00 C ATOM 1131 SD MET A 70 -4.347 -4.793 -1.266 1.00 0.00 S ATOM 1132 CE MET A 70 -2.734 -5.029 -2.008 1.00 0.00 C ATOM 0 H MET A 70 -5.733 -6.966 -6.197 1.00 0.00 H new ATOM 0 HA MET A 70 -7.477 -6.199 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.372 -6.781 -2.917 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.459 -5.951 -4.161 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.031 -3.813 -3.340 1.00 0.00 H new ATOM 0 HG3 MET A 70 -6.403 -4.419 -2.434 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.970 -5.010 -1.231 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.707 -5.991 -2.521 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.543 -4.230 -2.725 1.00 0.00 H new ATOM 1142 N GLN A 71 -7.690 -3.888 -4.844 1.00 0.00 N ATOM 1143 CA GLN A 71 -7.955 -2.607 -5.490 1.00 0.00 C ATOM 1144 C GLN A 71 -7.753 -1.454 -4.513 1.00 0.00 C ATOM 1145 O GLN A 71 -8.405 -1.389 -3.470 1.00 0.00 O ATOM 1146 CB GLN A 71 -9.379 -2.577 -6.045 1.00 0.00 C ATOM 1147 CG GLN A 71 -9.556 -1.623 -7.216 1.00 0.00 C ATOM 1148 CD GLN A 71 -10.975 -1.610 -7.749 1.00 0.00 C ATOM 1149 OE1 GLN A 71 -11.859 -2.276 -7.210 1.00 0.00 O ATOM 1150 NE2 GLN A 71 -11.201 -0.849 -8.813 1.00 0.00 N ATOM 0 H GLN A 71 -8.282 -4.084 -4.037 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.250 -2.490 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.658 -3.582 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.065 -2.291 -5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.280 -0.616 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.874 -1.907 -8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.439 -0.313 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.137 -0.800 -9.215 1.00 0.00 H new ATOM 1159 N ILE A 72 -6.846 -0.545 -4.857 1.00 0.00 N ATOM 1160 CA ILE A 72 -6.560 0.606 -4.011 1.00 0.00 C ATOM 1161 C ILE A 72 -7.155 1.882 -4.598 1.00 0.00 C ATOM 1162 O ILE A 72 -6.697 2.375 -5.628 1.00 0.00 O ATOM 1163 CB ILE A 72 -5.044 0.801 -3.820 1.00 0.00 C ATOM 1164 CG1 ILE A 72 -4.395 -0.503 -3.352 1.00 0.00 C ATOM 1165 CG2 ILE A 72 -4.775 1.920 -2.825 1.00 0.00 C ATOM 1166 CD1 ILE A 72 -2.885 -0.435 -3.280 1.00 0.00 C ATOM 0 H ILE A 72 -6.297 -0.584 -5.716 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.018 0.407 -3.042 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.605 1.080 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.786 -0.761 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.682 -1.306 -4.030 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.699 2.046 -2.701 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.208 2.849 -3.196 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -5.224 1.668 -1.864 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.493 -1.394 -2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.484 -0.208 -4.268 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.589 0.346 -2.579 1.00 0.00 H new ATOM 1178 N ILE A 73 -8.177 2.411 -3.933 1.00 0.00 N ATOM 1179 CA ILE A 73 -8.833 3.631 -4.388 1.00 0.00 C ATOM 1180 C ILE A 73 -8.721 4.736 -3.343 1.00 0.00 C ATOM 1181 O ILE A 73 -9.231 4.607 -2.230 1.00 0.00 O ATOM 1182 CB ILE A 73 -10.320 3.386 -4.703 1.00 0.00 C ATOM 1183 CG1 ILE A 73 -10.466 2.289 -5.760 1.00 0.00 C ATOM 1184 CG2 ILE A 73 -10.981 4.673 -5.173 1.00 0.00 C ATOM 1185 CD1 ILE A 73 -11.868 1.730 -5.861 1.00 0.00 C ATOM 0 H ILE A 73 -8.568 2.014 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.324 3.943 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.819 3.056 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.172 2.689 -6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.776 1.478 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.032 4.483 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.904 5.428 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.482 5.031 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.897 0.958 -6.630 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.158 1.299 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.560 2.530 -6.124 1.00 0.00 H new ATOM 1197 N VAL A 74 -8.053 5.825 -3.711 1.00 0.00 N ATOM 1198 CA VAL A 74 -7.876 6.955 -2.807 1.00 0.00 C ATOM 1199 C VAL A 74 -9.152 7.785 -2.710 1.00 0.00 C ATOM 1200 O VAL A 74 -9.638 8.316 -3.709 1.00 0.00 O ATOM 1201 CB VAL A 74 -6.719 7.864 -3.263 1.00 0.00 C ATOM 1202 CG1 VAL A 74 -6.427 8.924 -2.213 1.00 0.00 C ATOM 1203 CG2 VAL A 74 -5.477 7.036 -3.557 1.00 0.00 C ATOM 0 H VAL A 74 -7.626 5.948 -4.629 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.638 6.542 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.017 8.370 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.607 9.556 -2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.316 9.535 -2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.149 8.441 -1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.669 7.693 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.174 6.502 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.697 6.319 -4.348 1.00 0.00 H new ATOM 1213 N LYS A 75 -9.690 7.894 -1.500 1.00 0.00 N ATOM 1214 CA LYS A 75 -10.908 8.661 -1.270 1.00 0.00 C ATOM 1215 C LYS A 75 -10.669 9.771 -0.251 1.00 0.00 C ATOM 1216 O LYS A 75 -9.683 9.748 0.485 1.00 0.00 O ATOM 1217 CB LYS A 75 -12.030 7.741 -0.784 1.00 0.00 C ATOM 1218 CG LYS A 75 -12.378 6.636 -1.766 1.00 0.00 C ATOM 1219 CD LYS A 75 -13.158 5.518 -1.093 1.00 0.00 C ATOM 1220 CE LYS A 75 -13.946 4.701 -2.105 1.00 0.00 C ATOM 1221 NZ LYS A 75 -15.301 5.271 -2.343 1.00 0.00 N ATOM 0 H LYS A 75 -9.301 7.460 -0.663 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.204 9.117 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.736 7.293 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.921 8.339 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.966 7.048 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.463 6.233 -2.201 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.470 4.866 -0.554 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.840 5.941 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.398 4.662 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.041 3.675 -1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.806 4.686 -3.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.834 5.285 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.211 6.241 -2.707 1.00 0.00 H new ATOM 1325 N ILE A 82 -10.573 10.121 -6.554 1.00 0.00 N ATOM 1326 CA ILE A 82 -9.278 10.737 -6.818 1.00 0.00 C ATOM 1327 C ILE A 82 -8.500 9.953 -7.869 1.00 0.00 C ATOM 1328 O ILE A 82 -7.998 10.523 -8.838 1.00 0.00 O ATOM 1329 CB ILE A 82 -8.431 10.837 -5.536 1.00 0.00 C ATOM 1330 CG1 ILE A 82 -9.175 11.641 -4.467 1.00 0.00 C ATOM 1331 CG2 ILE A 82 -7.082 11.472 -5.840 1.00 0.00 C ATOM 1332 CD1 ILE A 82 -8.603 11.474 -3.077 1.00 0.00 C ATOM 0 HA ILE A 82 -9.476 11.742 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 82 -8.259 9.831 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -9.151 12.697 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -10.222 11.338 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.495 11.536 -4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.549 10.863 -6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.234 12.473 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.180 12.072 -2.372 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.652 10.424 -2.787 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.564 11.805 -3.069 1.00 0.00 H new ATOM 1344 N SER A 83 -8.405 8.642 -7.670 1.00 0.00 N ATOM 1345 CA SER A 83 -7.686 7.779 -8.600 1.00 0.00 C ATOM 1346 C SER A 83 -7.926 6.308 -8.272 1.00 0.00 C ATOM 1347 O SER A 83 -8.639 5.982 -7.324 1.00 0.00 O ATOM 1348 CB SER A 83 -6.187 8.084 -8.557 1.00 0.00 C ATOM 1349 OG SER A 83 -5.706 8.094 -7.224 1.00 0.00 O ATOM 0 H SER A 83 -8.816 8.155 -6.874 1.00 0.00 H new ATOM 0 HA SER A 83 -8.061 7.976 -9.604 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.644 7.338 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.996 9.051 -9.023 1.00 0.00 H new ATOM 0 HG SER A 83 -4.746 8.290 -7.224 1.00 0.00 H new ATOM 1355 N GLU A 84 -7.325 5.426 -9.065 1.00 0.00 N ATOM 1356 CA GLU A 84 -7.475 3.990 -8.860 1.00 0.00 C ATOM 1357 C GLU A 84 -6.312 3.227 -9.487 1.00 0.00 C ATOM 1358 O GLU A 84 -5.614 3.743 -10.361 1.00 0.00 O ATOM 1359 CB GLU A 84 -8.798 3.503 -9.453 1.00 0.00 C ATOM 1360 CG GLU A 84 -8.917 3.738 -10.950 1.00 0.00 C ATOM 1361 CD GLU A 84 -9.412 5.132 -11.284 1.00 0.00 C ATOM 1362 OE1 GLU A 84 -9.763 5.877 -10.345 1.00 0.00 O ATOM 1363 OE2 GLU A 84 -9.450 5.477 -12.483 1.00 0.00 O ATOM 0 H GLU A 84 -6.731 5.680 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.475 3.800 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.907 2.437 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.621 4.009 -8.948 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.945 3.580 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.599 3.002 -11.376 1.00 0.00 H new ATOM 1370 N THR A 85 -6.108 1.993 -9.034 1.00 0.00 N ATOM 1371 CA THR A 85 -5.030 1.159 -9.548 1.00 0.00 C ATOM 1372 C THR A 85 -5.328 -0.320 -9.331 1.00 0.00 C ATOM 1373 O THR A 85 -5.985 -0.696 -8.360 1.00 0.00 O ATOM 1374 CB THR A 85 -3.685 1.504 -8.880 1.00 0.00 C ATOM 1375 OG1 THR A 85 -2.623 0.785 -9.517 1.00 0.00 O ATOM 1376 CG2 THR A 85 -3.715 1.165 -7.397 1.00 0.00 C ATOM 0 H THR A 85 -6.676 1.550 -8.312 1.00 0.00 H new ATOM 0 HA THR A 85 -4.958 1.359 -10.617 1.00 0.00 H new ATOM 0 HB THR A 85 -3.515 2.575 -8.989 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.771 1.011 -9.088 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.755 1.417 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.506 1.735 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.906 0.099 -7.271 1.00 0.00 H new ATOM 1384 N THR A 86 -4.839 -1.158 -10.241 1.00 0.00 N ATOM 1385 CA THR A 86 -5.054 -2.596 -10.149 1.00 0.00 C ATOM 1386 C THR A 86 -3.846 -3.294 -9.535 1.00 0.00 C ATOM 1387 O THR A 86 -2.701 -2.961 -9.842 1.00 0.00 O ATOM 1388 CB THR A 86 -5.339 -3.211 -11.532 1.00 0.00 C ATOM 1389 OG1 THR A 86 -4.420 -2.690 -12.499 1.00 0.00 O ATOM 1390 CG2 THR A 86 -6.765 -2.918 -11.972 1.00 0.00 C ATOM 0 H THR A 86 -4.291 -0.864 -11.050 1.00 0.00 H new ATOM 0 HA THR A 86 -5.922 -2.745 -9.507 1.00 0.00 H new ATOM 0 HB THR A 86 -5.214 -4.291 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.607 -3.087 -13.375 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.942 -3.362 -12.951 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.463 -3.341 -11.250 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.913 -1.840 -12.031 1.00 0.00 H new ATOM 1398 N VAL A 87 -4.108 -4.264 -8.664 1.00 0.00 N ATOM 1399 CA VAL A 87 -3.042 -5.011 -8.007 1.00 0.00 C ATOM 1400 C VAL A 87 -3.449 -6.461 -7.774 1.00 0.00 C ATOM 1401 O VAL A 87 -4.622 -6.757 -7.545 1.00 0.00 O ATOM 1402 CB VAL A 87 -2.659 -4.373 -6.658 1.00 0.00 C ATOM 1403 CG1 VAL A 87 -1.480 -5.106 -6.037 1.00 0.00 C ATOM 1404 CG2 VAL A 87 -2.345 -2.896 -6.838 1.00 0.00 C ATOM 0 H VAL A 87 -5.050 -4.551 -8.397 1.00 0.00 H new ATOM 0 HA VAL A 87 -2.179 -4.982 -8.672 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.508 -4.460 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.223 -4.642 -5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.747 -6.150 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.624 -5.053 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -2.076 -2.461 -5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.512 -2.783 -7.532 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.221 -2.384 -7.236 1.00 0.00 H new ATOM 1414 N GLU A 88 -2.473 -7.361 -7.834 1.00 0.00 N ATOM 1415 CA GLU A 88 -2.731 -8.782 -7.630 1.00 0.00 C ATOM 1416 C GLU A 88 -2.259 -9.227 -6.249 1.00 0.00 C ATOM 1417 O GLU A 88 -1.164 -8.873 -5.810 1.00 0.00 O ATOM 1418 CB GLU A 88 -2.034 -9.610 -8.711 1.00 0.00 C ATOM 1419 CG GLU A 88 -2.847 -9.753 -9.987 1.00 0.00 C ATOM 1420 CD GLU A 88 -2.033 -10.311 -11.138 1.00 0.00 C ATOM 1421 OE1 GLU A 88 -0.935 -9.778 -11.402 1.00 0.00 O ATOM 1422 OE2 GLU A 88 -2.495 -11.281 -11.775 1.00 0.00 O ATOM 0 H GLU A 88 -1.497 -7.132 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.807 -8.943 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.076 -9.147 -8.950 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.818 -10.602 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.699 -10.406 -9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.248 -8.779 -10.269 1.00 0.00 H new ATOM 1429 N LEU A 89 -3.093 -10.006 -5.568 1.00 0.00 N ATOM 1430 CA LEU A 89 -2.762 -10.501 -4.236 1.00 0.00 C ATOM 1431 C LEU A 89 -2.079 -11.862 -4.315 1.00 0.00 C ATOM 1432 O LEU A 89 -1.280 -12.219 -3.448 1.00 0.00 O ATOM 1433 CB LEU A 89 -4.025 -10.599 -3.379 1.00 0.00 C ATOM 1434 CG LEU A 89 -4.400 -9.345 -2.589 1.00 0.00 C ATOM 1435 CD1 LEU A 89 -5.795 -9.482 -2.000 1.00 0.00 C ATOM 1436 CD2 LEU A 89 -3.379 -9.082 -1.491 1.00 0.00 C ATOM 0 H LEU A 89 -4.003 -10.308 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.071 -9.796 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.861 -10.858 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.900 -11.423 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.398 -8.495 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.044 -8.580 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.517 -9.622 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.825 -10.343 -1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.661 -8.186 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.349 -9.933 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.395 -8.939 -1.936 1.00 0.00 H new ATOM 1448 N TYR A 90 -2.398 -12.618 -5.359 1.00 0.00 N ATOM 1449 CA TYR A 90 -1.816 -13.941 -5.551 1.00 0.00 C ATOM 1450 C TYR A 90 -0.462 -13.845 -6.247 1.00 0.00 C ATOM 1451 O TYR A 90 0.547 -14.331 -5.736 1.00 0.00 O ATOM 1452 CB TYR A 90 -2.761 -14.823 -6.370 1.00 0.00 C ATOM 1453 CG TYR A 90 -2.417 -16.295 -6.313 1.00 0.00 C ATOM 1454 CD1 TYR A 90 -2.515 -17.006 -5.124 1.00 0.00 C ATOM 1455 CD2 TYR A 90 -1.994 -16.974 -7.450 1.00 0.00 C ATOM 1456 CE1 TYR A 90 -2.202 -18.350 -5.067 1.00 0.00 C ATOM 1457 CE2 TYR A 90 -1.680 -18.318 -7.403 1.00 0.00 C ATOM 1458 CZ TYR A 90 -1.785 -19.002 -6.209 1.00 0.00 C ATOM 1459 OH TYR A 90 -1.472 -20.341 -6.157 1.00 0.00 O ATOM 0 H TYR A 90 -3.057 -12.337 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.669 -14.391 -4.569 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -3.780 -14.682 -6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.742 -14.494 -7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.842 -16.499 -4.228 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.910 -16.441 -8.386 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.283 -18.887 -4.134 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.354 -18.831 -8.296 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.197 -20.647 -7.046 1.00 0.00 H new ATOM 1469 N SER A 91 -0.448 -13.213 -7.416 1.00 0.00 N ATOM 1470 CA SER A 91 0.781 -13.055 -8.185 1.00 0.00 C ATOM 1471 C SER A 91 1.843 -12.325 -7.367 1.00 0.00 C ATOM 1472 O SER A 91 3.019 -12.691 -7.387 1.00 0.00 O ATOM 1473 CB SER A 91 0.503 -12.289 -9.479 1.00 0.00 C ATOM 1474 OG SER A 91 0.511 -10.889 -9.256 1.00 0.00 O ATOM 0 H SER A 91 -1.274 -12.802 -7.851 1.00 0.00 H new ATOM 0 HA SER A 91 1.156 -14.048 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.255 -12.546 -10.226 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.463 -12.590 -9.883 1.00 0.00 H new ATOM 0 HG SER A 91 0.149 -10.430 -10.043 1.00 0.00 H new ATOM 1480 N LEU A 92 1.420 -11.291 -6.648 1.00 0.00 N ATOM 1481 CA LEU A 92 2.333 -10.509 -5.823 1.00 0.00 C ATOM 1482 C LEU A 92 3.142 -11.413 -4.898 1.00 0.00 C ATOM 1483 O LEU A 92 4.356 -11.259 -4.770 1.00 0.00 O ATOM 1484 CB LEU A 92 1.554 -9.483 -4.997 1.00 0.00 C ATOM 1485 CG LEU A 92 2.357 -8.719 -3.944 1.00 0.00 C ATOM 1486 CD1 LEU A 92 3.464 -7.908 -4.602 1.00 0.00 C ATOM 1487 CD2 LEU A 92 1.444 -7.815 -3.129 1.00 0.00 C ATOM 0 H LEU A 92 0.451 -10.975 -6.620 1.00 0.00 H new ATOM 0 HA LEU A 92 3.023 -9.986 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.108 -8.760 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.733 -9.997 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 92 2.816 -9.442 -3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.025 -7.371 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.134 -8.578 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.026 -7.194 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.033 -7.279 -2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.957 -7.099 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.688 -8.419 -2.627 1.00 0.00 H new ATOM 1499 N ALA A 93 2.461 -12.357 -4.258 1.00 0.00 N ATOM 1500 CA ALA A 93 3.117 -13.289 -3.349 1.00 0.00 C ATOM 1501 C ALA A 93 4.272 -14.007 -4.039 1.00 0.00 C ATOM 1502 O ALA A 93 5.231 -14.425 -3.390 1.00 0.00 O ATOM 1503 CB ALA A 93 2.113 -14.297 -2.811 1.00 0.00 C ATOM 0 H ALA A 93 1.455 -12.497 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 93 3.524 -12.718 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.617 -14.986 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.323 -13.772 -2.273 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.678 -14.856 -3.640 1.00 0.00 H new ATOM 1509 N GLU A 94 4.173 -14.148 -5.357 1.00 0.00 N ATOM 1510 CA GLU A 94 5.210 -14.818 -6.134 1.00 0.00 C ATOM 1511 C GLU A 94 6.356 -13.862 -6.449 1.00 0.00 C ATOM 1512 O GLU A 94 7.528 -14.220 -6.330 1.00 0.00 O ATOM 1513 CB GLU A 94 4.625 -15.377 -7.432 1.00 0.00 C ATOM 1514 CG GLU A 94 3.530 -16.408 -7.213 1.00 0.00 C ATOM 1515 CD GLU A 94 3.296 -17.278 -8.432 1.00 0.00 C ATOM 1516 OE1 GLU A 94 4.258 -17.502 -9.196 1.00 0.00 O ATOM 1517 OE2 GLU A 94 2.150 -17.736 -8.623 1.00 0.00 O ATOM 0 H GLU A 94 3.386 -13.808 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 94 5.601 -15.642 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 94 4.224 -14.554 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 94 5.426 -15.829 -8.016 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.796 -17.040 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 94 2.603 -15.898 -6.952 1.00 0.00 H new ATOM 1524 N ARG A 95 6.009 -12.644 -6.852 1.00 0.00 N ATOM 1525 CA ARG A 95 7.008 -11.636 -7.187 1.00 0.00 C ATOM 1526 C ARG A 95 7.969 -11.416 -6.023 1.00 0.00 C ATOM 1527 O ARG A 95 9.179 -11.297 -6.218 1.00 0.00 O ATOM 1528 CB ARG A 95 6.328 -10.317 -7.558 1.00 0.00 C ATOM 1529 CG ARG A 95 5.848 -10.263 -8.999 1.00 0.00 C ATOM 1530 CD ARG A 95 5.003 -9.026 -9.259 1.00 0.00 C ATOM 1531 NE ARG A 95 4.277 -9.115 -10.523 1.00 0.00 N ATOM 1532 CZ ARG A 95 4.836 -8.899 -11.709 1.00 0.00 C ATOM 1533 NH1 ARG A 95 6.122 -8.583 -11.791 1.00 0.00 N ATOM 1534 NH2 ARG A 95 4.110 -8.999 -12.815 1.00 0.00 N ATOM 0 H ARG A 95 5.044 -12.331 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 95 7.578 -11.996 -8.043 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.478 -10.157 -6.895 1.00 0.00 H new ATOM 0 HB3 ARG A 95 7.026 -9.497 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.707 -10.266 -9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.265 -11.157 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.294 -8.893 -8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.644 -8.145 -9.271 1.00 0.00 H new ATOM 0 HE ARG A 95 3.286 -9.356 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.683 -8.506 -10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.549 -8.418 -12.702 1.00 0.00 H new ATOM 0 HH21 ARG A 95 3.121 -9.242 -12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.541 -8.833 -13.725 1.00 0.00 H new ATOM 1548 N CYS A 96 7.422 -11.362 -4.813 1.00 0.00 N ATOM 1549 CA CYS A 96 8.231 -11.154 -3.617 1.00 0.00 C ATOM 1550 C CYS A 96 9.327 -12.209 -3.512 1.00 0.00 C ATOM 1551 O CYS A 96 10.499 -11.884 -3.323 1.00 0.00 O ATOM 1552 CB CYS A 96 7.349 -11.190 -2.368 1.00 0.00 C ATOM 1553 SG CYS A 96 5.958 -10.037 -2.413 1.00 0.00 S ATOM 0 H CYS A 96 6.422 -11.459 -4.635 1.00 0.00 H new ATOM 0 HA CYS A 96 8.702 -10.174 -3.692 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.964 -12.201 -2.237 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.964 -10.967 -1.496 1.00 0.00 H new ATOM 0 HG CYS A 96 5.141 -10.379 -3.365 1.00 0.00 H new ATOM 1559 N ARG A 97 8.937 -13.474 -3.633 1.00 0.00 N ATOM 1560 CA ARG A 97 9.886 -14.577 -3.549 1.00 0.00 C ATOM 1561 C ARG A 97 11.021 -14.397 -4.553 1.00 0.00 C ATOM 1562 O ARG A 97 12.180 -14.690 -4.256 1.00 0.00 O ATOM 1563 CB ARG A 97 9.176 -15.909 -3.800 1.00 0.00 C ATOM 1564 CG ARG A 97 8.017 -16.169 -2.852 1.00 0.00 C ATOM 1565 CD ARG A 97 7.116 -17.281 -3.367 1.00 0.00 C ATOM 1566 NE ARG A 97 7.683 -18.604 -3.120 1.00 0.00 N ATOM 1567 CZ ARG A 97 7.088 -19.737 -3.475 1.00 0.00 C ATOM 1568 NH1 ARG A 97 5.913 -19.708 -4.088 1.00 0.00 N ATOM 1569 NH2 ARG A 97 7.668 -20.902 -3.216 1.00 0.00 N ATOM 0 H ARG A 97 7.970 -13.760 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 97 10.310 -14.582 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.807 -15.927 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.899 -16.720 -3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.403 -16.438 -1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.435 -15.256 -2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.141 -17.209 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 97 6.954 -17.150 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 97 8.586 -18.661 -2.649 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.464 -18.814 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.458 -20.579 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.572 -20.928 -2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.210 -21.772 -3.489 1.00 0.00 H new ATOM 1583 N LYS A 98 10.680 -13.912 -5.742 1.00 0.00 N ATOM 1584 CA LYS A 98 11.669 -13.691 -6.790 1.00 0.00 C ATOM 1585 C LYS A 98 12.790 -12.781 -6.298 1.00 0.00 C ATOM 1586 O LYS A 98 13.913 -12.839 -6.796 1.00 0.00 O ATOM 1587 CB LYS A 98 11.005 -13.077 -8.025 1.00 0.00 C ATOM 1588 CG LYS A 98 9.805 -13.864 -8.524 1.00 0.00 C ATOM 1589 CD LYS A 98 9.632 -13.723 -10.027 1.00 0.00 C ATOM 1590 CE LYS A 98 8.740 -12.542 -10.377 1.00 0.00 C ATOM 1591 NZ LYS A 98 8.699 -12.294 -11.845 1.00 0.00 N ATOM 0 H LYS A 98 9.726 -13.664 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 98 12.099 -14.656 -7.058 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.690 -12.060 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.741 -13.006 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.927 -14.916 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.904 -13.515 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.608 -13.595 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.201 -14.639 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.730 -12.729 -10.012 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.103 -11.649 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.081 -11.481 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.659 -12.091 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.329 -13.137 -12.329 1.00 0.00 H new ATOM 1605 N ASN A 99 12.476 -11.942 -5.316 1.00 0.00 N ATOM 1606 CA ASN A 99 13.458 -11.020 -4.756 1.00 0.00 C ATOM 1607 C ASN A 99 14.098 -11.604 -3.500 1.00 0.00 C ATOM 1608 O ASN A 99 14.559 -10.869 -2.627 1.00 0.00 O ATOM 1609 CB ASN A 99 12.800 -9.678 -4.430 1.00 0.00 C ATOM 1610 CG ASN A 99 12.754 -8.750 -5.629 1.00 0.00 C ATOM 1611 OD1 ASN A 99 13.301 -7.648 -5.597 1.00 0.00 O ATOM 1612 ND2 ASN A 99 12.098 -9.195 -6.695 1.00 0.00 N ATOM 0 H ASN A 99 11.550 -11.881 -4.892 1.00 0.00 H new ATOM 0 HA ASN A 99 14.238 -10.863 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.786 -9.852 -4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.348 -9.195 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.033 -8.616 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.660 -10.116 -6.676 1.00 0.00 H new ATOM 1619 N ASN A 100 14.121 -12.930 -3.416 1.00 0.00 N ATOM 1620 CA ASN A 100 14.704 -13.613 -2.267 1.00 0.00 C ATOM 1621 C ASN A 100 14.048 -13.151 -0.969 1.00 0.00 C ATOM 1622 O ASN A 100 14.672 -13.159 0.091 1.00 0.00 O ATOM 1623 CB ASN A 100 16.212 -13.360 -2.208 1.00 0.00 C ATOM 1624 CG ASN A 100 16.991 -14.291 -3.117 1.00 0.00 C ATOM 1625 OD1 ASN A 100 16.576 -14.567 -4.243 1.00 0.00 O ATOM 1626 ND2 ASN A 100 18.126 -14.779 -2.631 1.00 0.00 N ATOM 0 H ASN A 100 13.743 -13.553 -4.130 1.00 0.00 H new ATOM 0 HA ASN A 100 14.526 -14.682 -2.383 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.416 -12.327 -2.490 1.00 0.00 H new ATOM 0 HB3 ASN A 100 16.559 -13.484 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.693 -15.410 -3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.431 -14.523 -1.692 1.00 0.00 H new ATOM 1633 N GLY A 101 12.784 -12.749 -1.062 1.00 0.00 N ATOM 1634 CA GLY A 101 12.064 -12.289 0.111 1.00 0.00 C ATOM 1635 C GLY A 101 10.936 -11.339 -0.236 1.00 0.00 C ATOM 1636 O GLY A 101 9.784 -11.753 -0.372 1.00 0.00 O ATOM 0 H GLY A 101 12.246 -12.734 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.659 -13.149 0.645 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.759 -11.791 0.788 1.00 0.00 H new ATOM 1640 N LYS A 102 11.265 -10.060 -0.380 1.00 0.00 N ATOM 1641 CA LYS A 102 10.270 -9.046 -0.713 1.00 0.00 C ATOM 1642 C LYS A 102 10.680 -8.272 -1.962 1.00 0.00 C ATOM 1643 O LYS A 102 11.867 -8.057 -2.211 1.00 0.00 O ATOM 1644 CB LYS A 102 10.083 -8.081 0.460 1.00 0.00 C ATOM 1645 CG LYS A 102 11.352 -7.342 0.848 1.00 0.00 C ATOM 1646 CD LYS A 102 11.043 -5.981 1.448 1.00 0.00 C ATOM 1647 CE LYS A 102 10.547 -6.103 2.881 1.00 0.00 C ATOM 1648 NZ LYS A 102 11.672 -6.241 3.847 1.00 0.00 N ATOM 0 H LYS A 102 12.213 -9.700 -0.271 1.00 0.00 H new ATOM 0 HA LYS A 102 9.325 -9.551 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.313 -7.354 0.202 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.719 -8.638 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 102 11.916 -7.938 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.985 -7.218 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.938 -5.360 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.289 -5.478 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.955 -5.224 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.888 -6.967 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.294 -6.457 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.300 -7.012 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.209 -5.351 3.884 1.00 0.00 H new ATOM 1662 N THR A 103 9.691 -7.854 -2.745 1.00 0.00 N ATOM 1663 CA THR A 103 9.948 -7.103 -3.967 1.00 0.00 C ATOM 1664 C THR A 103 9.388 -5.689 -3.873 1.00 0.00 C ATOM 1665 O THR A 103 8.348 -5.464 -3.253 1.00 0.00 O ATOM 1666 CB THR A 103 9.338 -7.804 -5.196 1.00 0.00 C ATOM 1667 OG1 THR A 103 9.762 -7.147 -6.395 1.00 0.00 O ATOM 1668 CG2 THR A 103 7.819 -7.802 -5.121 1.00 0.00 C ATOM 0 H THR A 103 8.703 -8.023 -2.554 1.00 0.00 H new ATOM 0 HA THR A 103 11.030 -7.054 -4.085 1.00 0.00 H new ATOM 0 HB THR A 103 9.684 -8.837 -5.207 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.371 -7.600 -7.172 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.411 -8.302 -5.999 1.00 0.00 H new ATOM 0 HG22 THR A 103 7.498 -8.328 -4.222 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.458 -6.774 -5.088 1.00 0.00 H new ATOM 1676 N GLU A 104 10.082 -4.739 -4.491 1.00 0.00 N ATOM 1677 CA GLU A 104 9.652 -3.346 -4.476 1.00 0.00 C ATOM 1678 C GLU A 104 8.960 -2.976 -5.784 1.00 0.00 C ATOM 1679 O GLU A 104 9.553 -3.065 -6.859 1.00 0.00 O ATOM 1680 CB GLU A 104 10.849 -2.422 -4.240 1.00 0.00 C ATOM 1681 CG GLU A 104 11.364 -2.446 -2.810 1.00 0.00 C ATOM 1682 CD GLU A 104 12.295 -3.613 -2.545 1.00 0.00 C ATOM 1683 OE1 GLU A 104 12.701 -4.280 -3.519 1.00 0.00 O ATOM 1684 OE2 GLU A 104 12.617 -3.860 -1.364 1.00 0.00 O ATOM 0 H GLU A 104 10.945 -4.909 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 104 8.940 -3.221 -3.661 1.00 0.00 H new ATOM 0 HB2 GLU A 104 11.657 -2.709 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.566 -1.402 -4.498 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.888 -1.513 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.518 -2.498 -2.124 1.00 0.00 H new ATOM 1691 N ILE A 105 7.702 -2.561 -5.684 1.00 0.00 N ATOM 1692 CA ILE A 105 6.929 -2.177 -6.858 1.00 0.00 C ATOM 1693 C ILE A 105 6.326 -0.786 -6.689 1.00 0.00 C ATOM 1694 O ILE A 105 5.863 -0.427 -5.607 1.00 0.00 O ATOM 1695 CB ILE A 105 5.798 -3.183 -7.142 1.00 0.00 C ATOM 1696 CG1 ILE A 105 6.373 -4.586 -7.347 1.00 0.00 C ATOM 1697 CG2 ILE A 105 4.996 -2.749 -8.360 1.00 0.00 C ATOM 1698 CD1 ILE A 105 5.343 -5.686 -7.215 1.00 0.00 C ATOM 0 H ILE A 105 7.196 -2.482 -4.802 1.00 0.00 H new ATOM 0 HA ILE A 105 7.619 -2.171 -7.701 1.00 0.00 H new ATOM 0 HB ILE A 105 5.129 -3.208 -6.282 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.828 -4.642 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 105 7.168 -4.754 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.201 -3.470 -8.548 1.00 0.00 H new ATOM 0 HG22 ILE A 105 4.560 -1.767 -8.177 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.652 -2.699 -9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.821 -6.653 -7.372 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.905 -5.656 -6.218 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.560 -5.543 -7.960 1.00 0.00 H new ATOM 1710 N TRP A 106 6.336 -0.009 -7.766 1.00 0.00 N ATOM 1711 CA TRP A 106 5.788 1.343 -7.737 1.00 0.00 C ATOM 1712 C TRP A 106 4.442 1.400 -8.451 1.00 0.00 C ATOM 1713 O TRP A 106 4.376 1.342 -9.680 1.00 0.00 O ATOM 1714 CB TRP A 106 6.765 2.325 -8.386 1.00 0.00 C ATOM 1715 CG TRP A 106 7.758 2.900 -7.421 1.00 0.00 C ATOM 1716 CD1 TRP A 106 9.038 2.472 -7.210 1.00 0.00 C ATOM 1717 CD2 TRP A 106 7.551 4.006 -6.536 1.00 0.00 C ATOM 1718 NE1 TRP A 106 9.639 3.246 -6.246 1.00 0.00 N ATOM 1719 CE2 TRP A 106 8.748 4.194 -5.818 1.00 0.00 C ATOM 1720 CE3 TRP A 106 6.472 4.856 -6.281 1.00 0.00 C ATOM 1721 CZ2 TRP A 106 8.893 5.197 -4.863 1.00 0.00 C ATOM 1722 CZ3 TRP A 106 6.617 5.851 -5.333 1.00 0.00 C ATOM 1723 CH2 TRP A 106 7.821 6.015 -4.634 1.00 0.00 C ATOM 0 H TRP A 106 6.717 -0.291 -8.669 1.00 0.00 H new ATOM 0 HA TRP A 106 5.638 1.625 -6.695 1.00 0.00 H new ATOM 0 HB2 TRP A 106 7.301 1.817 -9.188 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.202 3.138 -8.844 1.00 0.00 H new ATOM 0 HD1 TRP A 106 9.508 1.647 -7.725 1.00 0.00 H new ATOM 0 HE1 TRP A 106 10.594 3.133 -5.905 1.00 0.00 H new ATOM 0 HE3 TRP A 106 5.541 4.738 -6.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 9.819 5.324 -4.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 5.789 6.513 -5.127 1.00 0.00 H new ATOM 0 HH2 TRP A 106 7.904 6.803 -3.900 1.00 0.00 H new ATOM 1734 N LEU A 107 3.370 1.515 -7.675 1.00 0.00 N ATOM 1735 CA LEU A 107 2.024 1.581 -8.233 1.00 0.00 C ATOM 1736 C LEU A 107 1.815 2.885 -8.997 1.00 0.00 C ATOM 1737 O LEU A 107 2.371 3.922 -8.637 1.00 0.00 O ATOM 1738 CB LEU A 107 0.982 1.455 -7.121 1.00 0.00 C ATOM 1739 CG LEU A 107 0.922 0.104 -6.408 1.00 0.00 C ATOM 1740 CD1 LEU A 107 -0.091 0.144 -5.274 1.00 0.00 C ATOM 1741 CD2 LEU A 107 0.578 -1.004 -7.393 1.00 0.00 C ATOM 0 H LEU A 107 3.407 1.565 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 107 1.905 0.750 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.178 2.227 -6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.000 1.663 -7.545 1.00 0.00 H new ATOM 0 HG LEU A 107 1.904 -0.106 -5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.120 -0.826 -4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.198 0.911 -4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -1.077 0.376 -5.675 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.540 -1.959 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.392 -0.800 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.340 -1.048 -8.171 1.00 0.00 H new ATOM 1753 N GLU A 108 1.007 2.824 -10.051 1.00 0.00 N ATOM 1754 CA GLU A 108 0.723 4.001 -10.864 1.00 0.00 C ATOM 1755 C GLU A 108 -0.769 4.321 -10.856 1.00 0.00 C ATOM 1756 O GLU A 108 -1.535 3.786 -11.658 1.00 0.00 O ATOM 1757 CB GLU A 108 1.201 3.783 -12.301 1.00 0.00 C ATOM 1758 CG GLU A 108 2.606 3.211 -12.395 1.00 0.00 C ATOM 1759 CD GLU A 108 3.254 3.474 -13.740 1.00 0.00 C ATOM 1760 OE1 GLU A 108 3.026 2.677 -14.674 1.00 0.00 O ATOM 1761 OE2 GLU A 108 3.990 4.476 -13.859 1.00 0.00 O ATOM 0 H GLU A 108 0.538 1.973 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 108 1.261 4.846 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.509 3.110 -12.807 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.168 4.733 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.224 3.643 -11.608 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.569 2.136 -12.218 1.00 0.00 H new ATOM 1768 N LEU A 109 -1.174 5.197 -9.943 1.00 0.00 N ATOM 1769 CA LEU A 109 -2.575 5.590 -9.829 1.00 0.00 C ATOM 1770 C LEU A 109 -2.958 6.570 -10.933 1.00 0.00 C ATOM 1771 O LEU A 109 -2.252 7.547 -11.184 1.00 0.00 O ATOM 1772 CB LEU A 109 -2.839 6.219 -8.460 1.00 0.00 C ATOM 1773 CG LEU A 109 -2.108 5.582 -7.277 1.00 0.00 C ATOM 1774 CD1 LEU A 109 -2.416 6.335 -5.992 1.00 0.00 C ATOM 1775 CD2 LEU A 109 -2.489 4.115 -7.142 1.00 0.00 C ATOM 0 H LEU A 109 -0.553 5.648 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.187 4.694 -9.935 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.563 7.273 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.910 6.178 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.035 5.643 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.888 5.868 -5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.093 7.371 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.489 6.306 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -1.960 3.678 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.564 4.032 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.217 3.583 -8.054 1.00 0.00 H new ATOM 1787 N LYS A 110 -4.082 6.303 -11.590 1.00 0.00 N ATOM 1788 CA LYS A 110 -4.562 7.162 -12.666 1.00 0.00 C ATOM 1789 C LYS A 110 -5.931 7.743 -12.328 1.00 0.00 C ATOM 1790 O LYS A 110 -6.675 7.212 -11.503 1.00 0.00 O ATOM 1791 CB LYS A 110 -4.639 6.377 -13.978 1.00 0.00 C ATOM 1792 CG LYS A 110 -3.280 6.067 -14.581 1.00 0.00 C ATOM 1793 CD LYS A 110 -2.745 7.241 -15.384 1.00 0.00 C ATOM 1794 CE LYS A 110 -1.807 6.779 -16.489 1.00 0.00 C ATOM 1795 NZ LYS A 110 -1.709 7.781 -17.587 1.00 0.00 N ATOM 0 H LYS A 110 -4.678 5.498 -11.396 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.856 7.984 -12.783 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -5.171 5.442 -13.802 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.226 6.947 -14.699 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.577 5.818 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -3.358 5.190 -15.224 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -3.577 7.795 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.218 7.927 -14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.816 6.598 -16.073 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.161 5.831 -16.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.061 7.430 -18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.650 7.935 -18.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.347 8.679 -17.206 1.00 0.00 H new ATOM 1809 N PRO A 111 -6.278 8.861 -12.982 1.00 0.00 N ATOM 1810 CA PRO A 111 -5.498 9.596 -13.982 1.00 0.00 C ATOM 1811 C PRO A 111 -4.284 10.291 -13.375 1.00 0.00 C ATOM 1812 O PRO A 111 -3.363 10.685 -14.089 1.00 0.00 O ATOM 1813 CB PRO A 111 -6.493 10.628 -14.519 1.00 0.00 C ATOM 1814 CG PRO A 111 -7.471 10.822 -13.413 1.00 0.00 C ATOM 1815 CD PRO A 111 -7.583 9.492 -12.721 1.00 0.00 C ATOM 0 HA PRO A 111 -5.092 8.936 -14.748 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -5.994 11.563 -14.775 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -6.984 10.271 -15.424 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.131 11.594 -12.722 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -8.438 11.144 -13.799 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.766 9.609 -11.653 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -8.404 8.898 -13.122 1.00 0.00 H new ATOM 1823 N GLN A 112 -4.291 10.437 -12.054 1.00 0.00 N ATOM 1824 CA GLN A 112 -3.189 11.084 -11.352 1.00 0.00 C ATOM 1825 C GLN A 112 -2.955 10.436 -9.992 1.00 0.00 C ATOM 1826 O GLN A 112 -3.863 9.845 -9.409 1.00 0.00 O ATOM 1827 CB GLN A 112 -3.476 12.577 -11.177 1.00 0.00 C ATOM 1828 CG GLN A 112 -4.854 12.868 -10.606 1.00 0.00 C ATOM 1829 CD GLN A 112 -5.086 14.347 -10.367 1.00 0.00 C ATOM 1830 OE1 GLN A 112 -4.275 15.019 -9.729 1.00 0.00 O ATOM 1831 NE2 GLN A 112 -6.197 14.863 -10.879 1.00 0.00 N ATOM 0 H GLN A 112 -5.047 10.116 -11.449 1.00 0.00 H new ATOM 0 HA GLN A 112 -2.287 10.962 -11.952 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -2.721 13.009 -10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -3.380 13.073 -12.143 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -5.614 12.491 -11.290 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -4.975 12.329 -9.667 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -6.842 14.269 -11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -6.406 15.853 -10.750 1.00 0.00 H new ATOM 1840 N GLY A 113 -1.728 10.551 -9.490 1.00 0.00 N ATOM 1841 CA GLY A 113 -1.396 9.971 -8.202 1.00 0.00 C ATOM 1842 C GLY A 113 -0.451 8.792 -8.324 1.00 0.00 C ATOM 1843 O GLY A 113 -0.486 8.059 -9.313 1.00 0.00 O ATOM 0 H GLY A 113 -0.959 11.035 -9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.941 10.734 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -2.311 9.649 -7.705 1.00 0.00 H new ATOM 1847 N ARG A 114 0.398 8.609 -7.318 1.00 0.00 N ATOM 1848 CA ARG A 114 1.358 7.513 -7.318 1.00 0.00 C ATOM 1849 C ARG A 114 1.879 7.247 -5.908 1.00 0.00 C ATOM 1850 O ARG A 114 1.962 8.157 -5.084 1.00 0.00 O ATOM 1851 CB ARG A 114 2.526 7.830 -8.253 1.00 0.00 C ATOM 1852 CG ARG A 114 3.344 9.036 -7.820 1.00 0.00 C ATOM 1853 CD ARG A 114 3.256 10.163 -8.837 1.00 0.00 C ATOM 1854 NE ARG A 114 3.704 9.741 -10.162 1.00 0.00 N ATOM 1855 CZ ARG A 114 4.982 9.631 -10.505 1.00 0.00 C ATOM 1856 NH1 ARG A 114 5.934 9.910 -9.625 1.00 0.00 N ATOM 1857 NH2 ARG A 114 5.311 9.240 -11.729 1.00 0.00 N ATOM 0 H ARG A 114 0.440 9.206 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 114 0.849 6.617 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 114 3.180 6.960 -8.311 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.139 8.006 -9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.989 9.389 -6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.386 8.743 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 114 2.227 10.517 -8.898 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.863 11.004 -8.500 1.00 0.00 H new ATOM 0 HE ARG A 114 2.996 9.519 -10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.685 10.210 -8.682 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.915 9.825 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.582 9.023 -12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.293 9.156 -11.991 1.00 0.00 H new ATOM 1871 N MET A 115 2.229 5.993 -5.639 1.00 0.00 N ATOM 1872 CA MET A 115 2.742 5.607 -4.330 1.00 0.00 C ATOM 1873 C MET A 115 3.623 4.366 -4.435 1.00 0.00 C ATOM 1874 O MET A 115 3.667 3.711 -5.477 1.00 0.00 O ATOM 1875 CB MET A 115 1.587 5.347 -3.362 1.00 0.00 C ATOM 1876 CG MET A 115 0.551 4.372 -3.899 1.00 0.00 C ATOM 1877 SD MET A 115 -0.563 3.766 -2.618 1.00 0.00 S ATOM 1878 CE MET A 115 -1.831 5.031 -2.645 1.00 0.00 C ATOM 0 H MET A 115 2.167 5.227 -6.310 1.00 0.00 H new ATOM 0 HA MET A 115 3.348 6.429 -3.948 1.00 0.00 H new ATOM 0 HB2 MET A 115 1.989 4.959 -2.426 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.098 6.293 -3.131 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.032 4.861 -4.680 1.00 0.00 H new ATOM 0 HG3 MET A 115 1.059 3.527 -4.362 1.00 0.00 H new ATOM 0 HE1 MET A 115 -2.142 5.256 -1.625 1.00 0.00 H new ATOM 0 HE2 MET A 115 -1.435 5.933 -3.111 1.00 0.00 H new ATOM 0 HE3 MET A 115 -2.688 4.675 -3.216 1.00 0.00 H new ATOM 1888 N LEU A 116 4.322 4.049 -3.351 1.00 0.00 N ATOM 1889 CA LEU A 116 5.202 2.886 -3.322 1.00 0.00 C ATOM 1890 C LEU A 116 4.524 1.707 -2.631 1.00 0.00 C ATOM 1891 O LEU A 116 3.938 1.857 -1.559 1.00 0.00 O ATOM 1892 CB LEU A 116 6.509 3.229 -2.605 1.00 0.00 C ATOM 1893 CG LEU A 116 7.413 2.046 -2.255 1.00 0.00 C ATOM 1894 CD1 LEU A 116 7.935 1.381 -3.519 1.00 0.00 C ATOM 1895 CD2 LEU A 116 8.566 2.499 -1.372 1.00 0.00 C ATOM 0 H LEU A 116 4.297 4.581 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 116 5.423 2.602 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.074 3.919 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.267 3.760 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 116 6.824 1.314 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 116 8.576 0.542 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.096 1.021 -4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.508 2.104 -4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 116 9.199 1.644 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.155 3.250 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.172 2.928 -0.451 1.00 0.00 H new ATOM 1907 N MET A 117 4.609 0.535 -3.252 1.00 0.00 N ATOM 1908 CA MET A 117 4.007 -0.670 -2.694 1.00 0.00 C ATOM 1909 C MET A 117 5.074 -1.710 -2.366 1.00 0.00 C ATOM 1910 O MET A 117 5.636 -2.340 -3.261 1.00 0.00 O ATOM 1911 CB MET A 117 2.990 -1.258 -3.675 1.00 0.00 C ATOM 1912 CG MET A 117 2.070 -2.294 -3.048 1.00 0.00 C ATOM 1913 SD MET A 117 1.120 -3.211 -4.275 1.00 0.00 S ATOM 1914 CE MET A 117 2.378 -4.305 -4.931 1.00 0.00 C ATOM 0 H MET A 117 5.089 0.394 -4.141 1.00 0.00 H new ATOM 0 HA MET A 117 3.496 -0.397 -1.771 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.386 -0.450 -4.088 1.00 0.00 H new ATOM 0 HB3 MET A 117 3.523 -1.715 -4.509 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.664 -2.992 -2.458 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.385 -1.798 -2.360 1.00 0.00 H new ATOM 0 HE1 MET A 117 1.902 -5.163 -5.407 1.00 0.00 H new ATOM 0 HE2 MET A 117 2.979 -3.769 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 117 3.019 -4.650 -4.120 1.00 0.00 H new ATOM 1924 N ASN A 118 5.347 -1.884 -1.077 1.00 0.00 N ATOM 1925 CA ASN A 118 6.348 -2.847 -0.631 1.00 0.00 C ATOM 1926 C ASN A 118 5.684 -4.090 -0.047 1.00 0.00 C ATOM 1927 O ASN A 118 5.198 -4.073 1.084 1.00 0.00 O ATOM 1928 CB ASN A 118 7.271 -2.210 0.410 1.00 0.00 C ATOM 1929 CG ASN A 118 8.478 -1.542 -0.219 1.00 0.00 C ATOM 1930 OD1 ASN A 118 9.608 -1.724 0.234 1.00 0.00 O ATOM 1931 ND2 ASN A 118 8.243 -0.762 -1.268 1.00 0.00 N ATOM 0 H ASN A 118 4.890 -1.371 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 118 6.940 -3.146 -1.496 1.00 0.00 H new ATOM 0 HB2 ASN A 118 6.711 -1.474 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 118 7.606 -2.975 1.111 1.00 0.00 H new ATOM 0 HD21 ASN A 118 9.016 -0.285 -1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 118 7.290 -0.640 -1.610 1.00 0.00 H new ATOM 1938 N ALA A 119 5.669 -5.167 -0.825 1.00 0.00 N ATOM 1939 CA ALA A 119 5.067 -6.419 -0.384 1.00 0.00 C ATOM 1940 C ALA A 119 6.126 -7.380 0.145 1.00 0.00 C ATOM 1941 O ALA A 119 7.116 -7.662 -0.531 1.00 0.00 O ATOM 1942 CB ALA A 119 4.291 -7.062 -1.523 1.00 0.00 C ATOM 0 H ALA A 119 6.067 -5.198 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 119 4.377 -6.195 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.847 -7.996 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.503 -6.386 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.966 -7.266 -2.354 1.00 0.00 H new ATOM 1948 N ARG A 120 5.913 -7.880 1.358 1.00 0.00 N ATOM 1949 CA ARG A 120 6.850 -8.808 1.978 1.00 0.00 C ATOM 1950 C ARG A 120 6.253 -10.210 2.062 1.00 0.00 C ATOM 1951 O ARG A 120 5.033 -10.375 2.091 1.00 0.00 O ATOM 1952 CB ARG A 120 7.233 -8.321 3.377 1.00 0.00 C ATOM 1953 CG ARG A 120 8.298 -9.173 4.048 1.00 0.00 C ATOM 1954 CD ARG A 120 8.934 -8.445 5.223 1.00 0.00 C ATOM 1955 NE ARG A 120 9.868 -9.298 5.954 1.00 0.00 N ATOM 1956 CZ ARG A 120 11.046 -9.679 5.473 1.00 0.00 C ATOM 1957 NH1 ARG A 120 11.433 -9.284 4.268 1.00 0.00 N ATOM 1958 NH2 ARG A 120 11.841 -10.456 6.199 1.00 0.00 N ATOM 0 H ARG A 120 5.099 -7.657 1.931 1.00 0.00 H new ATOM 0 HA ARG A 120 7.745 -8.850 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.591 -7.294 3.310 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.342 -8.308 4.004 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.854 -10.107 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.067 -9.435 3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.458 -7.560 4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.153 -8.098 5.900 1.00 0.00 H new ATOM 0 HE ARG A 120 9.601 -9.619 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.826 -8.686 3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.338 -9.578 3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.547 -10.761 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 120 12.745 -10.748 5.829 1.00 0.00 H new ATOM 1972 N TYR A 121 7.120 -11.215 2.099 1.00 0.00 N ATOM 1973 CA TYR A 121 6.679 -12.603 2.176 1.00 0.00 C ATOM 1974 C TYR A 121 6.707 -13.104 3.617 1.00 0.00 C ATOM 1975 O TYR A 121 7.646 -12.830 4.364 1.00 0.00 O ATOM 1976 CB TYR A 121 7.563 -13.490 1.298 1.00 0.00 C ATOM 1977 CG TYR A 121 6.852 -14.714 0.765 1.00 0.00 C ATOM 1978 CD1 TYR A 121 5.712 -14.593 -0.020 1.00 0.00 C ATOM 1979 CD2 TYR A 121 7.320 -15.992 1.048 1.00 0.00 C ATOM 1980 CE1 TYR A 121 5.059 -15.708 -0.508 1.00 0.00 C ATOM 1981 CE2 TYR A 121 6.675 -17.112 0.562 1.00 0.00 C ATOM 1982 CZ TYR A 121 5.544 -16.965 -0.215 1.00 0.00 C ATOM 1983 OH TYR A 121 4.898 -18.079 -0.699 1.00 0.00 O ATOM 0 H TYR A 121 8.133 -11.095 2.077 1.00 0.00 H new ATOM 0 HA TYR A 121 5.652 -12.653 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 121 7.934 -12.902 0.459 1.00 0.00 H new ATOM 0 HB3 TYR A 121 8.432 -13.807 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 121 5.330 -13.610 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 121 8.203 -16.111 1.658 1.00 0.00 H new ATOM 0 HE1 TYR A 121 4.173 -15.596 -1.116 1.00 0.00 H new ATOM 0 HE2 TYR A 121 7.054 -18.098 0.789 1.00 0.00 H new ATOM 0 HH TYR A 121 5.369 -18.885 -0.402 1.00 0.00 H new ATOM 1993 N PHE A 122 5.670 -13.842 4.000 1.00 0.00 N ATOM 1994 CA PHE A 122 5.574 -14.383 5.350 1.00 0.00 C ATOM 1995 C PHE A 122 4.874 -15.739 5.345 1.00 0.00 C ATOM 1996 O PHE A 122 4.228 -16.113 4.365 1.00 0.00 O ATOM 1997 CB PHE A 122 4.819 -13.411 6.259 1.00 0.00 C ATOM 1998 CG PHE A 122 5.635 -12.221 6.674 1.00 0.00 C ATOM 1999 CD1 PHE A 122 6.753 -12.377 7.478 1.00 0.00 C ATOM 2000 CD2 PHE A 122 5.286 -10.945 6.260 1.00 0.00 C ATOM 2001 CE1 PHE A 122 7.506 -11.283 7.861 1.00 0.00 C ATOM 2002 CE2 PHE A 122 6.035 -9.848 6.640 1.00 0.00 C ATOM 2003 CZ PHE A 122 7.147 -10.017 7.441 1.00 0.00 C ATOM 0 H PHE A 122 4.884 -14.079 3.394 1.00 0.00 H new ATOM 0 HA PHE A 122 6.586 -14.518 5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 122 3.923 -13.065 5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 122 4.488 -13.943 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.039 -13.364 7.809 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.418 -10.807 5.633 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.375 -11.418 8.488 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.751 -8.859 6.311 1.00 0.00 H new ATOM 0 HZ PHE A 122 7.735 -9.161 7.738 1.00 0.00 H new ATOM 2013 N LEU A 123 5.009 -16.472 6.445 1.00 0.00 N ATOM 2014 CA LEU A 123 4.390 -17.787 6.568 1.00 0.00 C ATOM 2015 C LEU A 123 3.560 -17.881 7.844 1.00 0.00 C ATOM 2016 O LEU A 123 3.966 -17.393 8.898 1.00 0.00 O ATOM 2017 CB LEU A 123 5.462 -18.879 6.562 1.00 0.00 C ATOM 2018 CG LEU A 123 5.847 -19.434 5.191 1.00 0.00 C ATOM 2019 CD1 LEU A 123 4.704 -20.249 4.606 1.00 0.00 C ATOM 2020 CD2 LEU A 123 6.237 -18.305 4.248 1.00 0.00 C ATOM 0 H LEU A 123 5.541 -16.178 7.264 1.00 0.00 H new ATOM 0 HA LEU A 123 3.728 -17.931 5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.360 -18.482 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 123 5.114 -19.705 7.182 1.00 0.00 H new ATOM 0 HG LEU A 123 6.709 -20.090 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 123 4.996 -20.636 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 123 4.472 -21.080 5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 123 3.824 -19.615 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 123 6.508 -18.719 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 123 5.395 -17.623 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.088 -17.763 4.661 1.00 0.00 H new