USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 321 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 245 LYS NZ :NH3+ -169:sc= 0.816 (180deg=0) USER MOD Set 1.2: A 266 ASN : amide:sc= -0.236 K(o=0.58,f=-4) USER MOD Set 2.1: A 229 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.45) USER MOD Set 2.2: A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 THR OG1 : rot -22:sc= 0.303 USER MOD Single : A 235 SER OG : rot 180:sc= 0 USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 THR OG1 : rot 48:sc= 0.129 USER MOD Single : A 241 SER OG : rot 146:sc= 1.16 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 CYS SG : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 256 THR OG1 : rot -124:sc= 0.0178 USER MOD Single : A 258 MET CE :methyl -148:sc= -0.177 (180deg=-0.856) USER MOD Single : A 260 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 262 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 264 MET CE :methyl 161:sc= 0 (180deg=-0.705) USER MOD Single : A 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 170:sc= 0.14 (180deg=0.0574) USER MOD Single : A 271 ASN : amide:sc= -0.0764 X(o=-0.076,f=-0.054) USER MOD Single : A 273 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.103) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 5.104 8.561 -5.268 1.00 0.00 N ATOM 49 CA GLY A 224 4.333 8.914 -4.100 1.00 0.00 C ATOM 50 C GLY A 224 3.496 7.760 -3.622 1.00 0.00 C ATOM 51 O GLY A 224 3.847 7.079 -2.659 1.00 0.00 O ATOM 0 HA2 GLY A 224 5.004 9.233 -3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 224 3.688 9.761 -4.331 1.00 0.00 H new ATOM 55 N ARG A 225 2.397 7.533 -4.302 1.00 0.00 N ATOM 56 CA ARG A 225 1.488 6.463 -3.951 1.00 0.00 C ATOM 57 C ARG A 225 1.842 5.185 -4.707 1.00 0.00 C ATOM 58 O ARG A 225 2.584 5.217 -5.693 1.00 0.00 O ATOM 59 CB ARG A 225 0.046 6.876 -4.258 1.00 0.00 C ATOM 60 CG ARG A 225 -0.188 7.263 -5.711 1.00 0.00 C ATOM 61 CD ARG A 225 -1.626 7.676 -5.944 1.00 0.00 C ATOM 62 NE ARG A 225 -1.858 8.116 -7.317 1.00 0.00 N ATOM 63 CZ ARG A 225 -2.997 8.662 -7.745 1.00 0.00 C ATOM 64 NH1 ARG A 225 -4.013 8.824 -6.903 1.00 0.00 N ATOM 65 NH2 ARG A 225 -3.121 9.035 -9.015 1.00 0.00 N ATOM 0 H ARG A 225 2.107 8.081 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 225 1.581 6.267 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 225 -0.620 6.053 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 225 -0.224 7.717 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 225 0.477 8.083 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A 225 0.061 6.422 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -2.284 6.838 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.887 8.481 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 225 -1.101 7.998 -7.991 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -3.921 8.531 -5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -4.884 9.242 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -2.345 8.904 -9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -3.993 9.452 -9.341 1.00 0.00 H new ATOM 68 N ALA A 226 1.307 4.073 -4.246 1.00 0.00 N ATOM 69 CA ALA A 226 1.573 2.782 -4.847 1.00 0.00 C ATOM 70 C ALA A 226 0.309 1.944 -4.892 1.00 0.00 C ATOM 71 O ALA A 226 -0.565 2.078 -4.034 1.00 0.00 O ATOM 72 CB ALA A 226 2.656 2.052 -4.066 1.00 0.00 C ATOM 0 H ALA A 226 0.676 4.039 -3.445 1.00 0.00 H new ATOM 0 HA ALA A 226 1.920 2.942 -5.868 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.847 1.083 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.571 2.644 -4.073 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.327 1.905 -3.037 1.00 0.00 H new ATOM 78 N ARG A 227 0.196 1.102 -5.899 1.00 0.00 N ATOM 79 CA ARG A 227 -0.945 0.223 -6.008 1.00 0.00 C ATOM 80 C ARG A 227 -0.617 -1.099 -5.346 1.00 0.00 C ATOM 81 O ARG A 227 0.484 -1.612 -5.493 1.00 0.00 O ATOM 82 CB ARG A 227 -1.339 -0.010 -7.474 1.00 0.00 C ATOM 83 CG ARG A 227 -2.658 -0.751 -7.622 1.00 0.00 C ATOM 84 CD ARG A 227 -3.047 -0.975 -9.071 1.00 0.00 C ATOM 85 NE ARG A 227 -4.468 -1.319 -9.181 1.00 0.00 N ATOM 86 CZ ARG A 227 -4.975 -2.274 -9.967 1.00 0.00 C ATOM 87 NH1 ARG A 227 -4.183 -3.023 -10.722 1.00 0.00 N ATOM 88 NH2 ARG A 227 -6.286 -2.476 -9.987 1.00 0.00 N ATOM 0 H ARG A 227 0.879 1.010 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.792 0.693 -5.509 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.409 0.951 -7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.552 -0.577 -7.971 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.587 -1.714 -7.117 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.445 -0.186 -7.122 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.840 -0.076 -9.651 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -2.441 -1.775 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 227 -5.124 -0.785 -8.611 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -3.174 -2.874 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -4.583 -3.748 -11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -6.899 -1.905 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -6.681 -3.203 -10.584 1.00 0.00 H new ATOM 91 N VAL A 228 -1.559 -1.647 -4.626 1.00 0.00 N ATOM 92 CA VAL A 228 -1.336 -2.904 -3.944 1.00 0.00 C ATOM 93 C VAL A 228 -1.726 -4.077 -4.846 1.00 0.00 C ATOM 94 O VAL A 228 -2.812 -4.092 -5.418 1.00 0.00 O ATOM 95 CB VAL A 228 -2.090 -2.962 -2.595 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.555 -2.593 -2.763 1.00 0.00 C ATOM 97 CG2 VAL A 228 -1.939 -4.329 -1.954 1.00 0.00 C ATOM 0 H VAL A 228 -2.488 -1.248 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.272 -2.980 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.642 -2.224 -1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.056 -2.644 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.632 -1.580 -3.159 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.029 -3.290 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.477 -4.348 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.348 -5.090 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -0.883 -4.533 -1.776 1.00 0.00 H new ATOM 107 N HIS A 229 -0.830 -5.053 -4.977 1.00 0.00 N ATOM 108 CA HIS A 229 -1.060 -6.177 -5.887 1.00 0.00 C ATOM 109 C HIS A 229 -1.290 -7.492 -5.143 1.00 0.00 C ATOM 110 O HIS A 229 -1.430 -8.542 -5.763 1.00 0.00 O ATOM 111 CB HIS A 229 0.115 -6.329 -6.883 1.00 0.00 C ATOM 112 CG HIS A 229 1.413 -6.808 -6.270 1.00 0.00 C ATOM 113 ND1 HIS A 229 1.859 -8.107 -6.374 1.00 0.00 N ATOM 114 CD2 HIS A 229 2.359 -6.152 -5.560 1.00 0.00 C ATOM 115 CE1 HIS A 229 3.016 -8.229 -5.753 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.344 -7.057 -5.251 1.00 0.00 N ATOM 0 H HIS A 229 0.055 -5.090 -4.471 1.00 0.00 H new ATOM 0 HA HIS A 229 -1.971 -5.950 -6.440 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -0.180 -7.028 -7.666 1.00 0.00 H new ATOM 0 HB3 HIS A 229 0.291 -5.367 -7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 229 2.343 -5.107 -5.286 1.00 0.00 H new ATOM 0 HE1 HIS A 229 3.596 -9.136 -5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 229 4.191 -6.855 -4.720 1.00 0.00 H new ATOM 121 N THR A 230 -1.333 -7.442 -3.829 1.00 0.00 N ATOM 122 CA THR A 230 -1.522 -8.649 -3.042 1.00 0.00 C ATOM 123 C THR A 230 -2.393 -8.365 -1.826 1.00 0.00 C ATOM 124 O THR A 230 -2.185 -7.379 -1.120 1.00 0.00 O ATOM 125 CB THR A 230 -0.166 -9.231 -2.591 1.00 0.00 C ATOM 126 OG1 THR A 230 0.665 -9.448 -3.741 1.00 0.00 O ATOM 127 CG2 THR A 230 -0.359 -10.550 -1.853 1.00 0.00 C ATOM 0 H THR A 230 -1.241 -6.586 -3.283 1.00 0.00 H new ATOM 0 HA THR A 230 -2.023 -9.383 -3.673 1.00 0.00 H new ATOM 0 HB THR A 230 0.308 -8.520 -1.914 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.527 -9.816 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 230 0.611 -10.940 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.980 -10.387 -0.972 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.846 -11.268 -2.513 1.00 0.00 H new ATOM 134 N ASP A 231 -3.369 -9.228 -1.588 1.00 0.00 N ATOM 135 CA ASP A 231 -4.284 -9.025 -0.483 1.00 0.00 C ATOM 136 C ASP A 231 -3.724 -9.575 0.819 1.00 0.00 C ATOM 137 O ASP A 231 -3.813 -10.760 1.104 1.00 0.00 O ATOM 138 CB ASP A 231 -5.688 -9.627 -0.779 1.00 0.00 C ATOM 139 CG ASP A 231 -5.712 -11.153 -0.895 1.00 0.00 C ATOM 140 OD1 ASP A 231 -5.307 -11.683 -1.949 1.00 0.00 O ATOM 141 OD2 ASP A 231 -6.160 -11.824 0.065 1.00 0.00 O ATOM 0 H ASP A 231 -3.544 -10.067 -2.141 1.00 0.00 H new ATOM 0 HA ASP A 231 -4.402 -7.948 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -6.373 -9.325 0.013 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -6.065 -9.199 -1.708 1.00 0.00 H new ATOM 144 N PHE A 232 -3.089 -8.726 1.589 1.00 0.00 N ATOM 145 CA PHE A 232 -2.650 -9.104 2.904 1.00 0.00 C ATOM 146 C PHE A 232 -3.505 -8.385 3.931 1.00 0.00 C ATOM 147 O PHE A 232 -3.351 -7.184 4.153 1.00 0.00 O ATOM 148 CB PHE A 232 -1.167 -8.744 3.082 1.00 0.00 C ATOM 149 CG PHE A 232 -0.623 -9.011 4.456 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.330 -10.299 4.857 1.00 0.00 C ATOM 151 CD2 PHE A 232 -0.401 -7.967 5.342 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.174 -10.547 6.116 1.00 0.00 C ATOM 153 CE2 PHE A 232 0.102 -8.208 6.602 1.00 0.00 C ATOM 154 CZ PHE A 232 0.390 -9.501 6.991 1.00 0.00 C ATOM 0 H PHE A 232 -2.865 -7.767 1.324 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.757 -10.180 3.040 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.580 -9.307 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.032 -7.687 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.497 -11.121 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -0.625 -6.954 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.400 -11.559 6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 232 0.271 -7.387 7.284 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.784 -9.694 7.978 1.00 0.00 H new ATOM 160 N THR A 233 -4.420 -9.100 4.533 1.00 0.00 N ATOM 161 CA THR A 233 -5.300 -8.513 5.501 1.00 0.00 C ATOM 162 C THR A 233 -5.092 -9.147 6.872 1.00 0.00 C ATOM 163 O THR A 233 -5.436 -10.313 7.084 1.00 0.00 O ATOM 164 CB THR A 233 -6.768 -8.679 5.060 1.00 0.00 C ATOM 165 OG1 THR A 233 -6.925 -8.175 3.718 1.00 0.00 O ATOM 166 CG2 THR A 233 -7.707 -7.930 5.998 1.00 0.00 C ATOM 0 H THR A 233 -4.573 -10.095 4.366 1.00 0.00 H new ATOM 0 HA THR A 233 -5.070 -7.450 5.572 1.00 0.00 H new ATOM 0 HB THR A 233 -7.022 -9.739 5.092 1.00 0.00 H new ATOM 0 HG1 THR A 233 -6.204 -7.541 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 233 -8.736 -8.063 5.665 1.00 0.00 H new ATOM 0 HG22 THR A 233 -7.599 -8.322 7.010 1.00 0.00 H new ATOM 0 HG23 THR A 233 -7.458 -6.869 5.991 1.00 0.00 H new ATOM 173 N PRO A 234 -4.484 -8.393 7.803 1.00 0.00 N ATOM 174 CA PRO A 234 -4.251 -8.851 9.179 1.00 0.00 C ATOM 175 C PRO A 234 -5.550 -9.255 9.880 1.00 0.00 C ATOM 176 O PRO A 234 -6.638 -8.800 9.506 1.00 0.00 O ATOM 177 CB PRO A 234 -3.642 -7.618 9.863 1.00 0.00 C ATOM 178 CG PRO A 234 -3.056 -6.821 8.756 1.00 0.00 C ATOM 179 CD PRO A 234 -3.955 -7.036 7.579 1.00 0.00 C ATOM 0 HA PRO A 234 -3.615 -9.736 9.214 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -4.400 -7.049 10.401 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -2.882 -7.904 10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -3.003 -5.765 9.020 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -2.039 -7.146 8.536 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -4.753 -6.294 7.541 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -3.410 -6.967 6.638 1.00 0.00 H new ATOM 187 N SER A 235 -5.428 -10.105 10.890 1.00 0.00 N ATOM 188 CA SER A 235 -6.576 -10.578 11.646 1.00 0.00 C ATOM 189 C SER A 235 -7.282 -9.411 12.355 1.00 0.00 C ATOM 190 O SER A 235 -6.648 -8.415 12.684 1.00 0.00 O ATOM 191 CB SER A 235 -6.116 -11.618 12.666 1.00 0.00 C ATOM 192 OG SER A 235 -5.372 -12.648 12.035 1.00 0.00 O ATOM 0 H SER A 235 -4.535 -10.484 11.206 1.00 0.00 H new ATOM 0 HA SER A 235 -7.289 -11.034 10.959 1.00 0.00 H new ATOM 0 HB2 SER A 235 -5.505 -11.138 13.431 1.00 0.00 H new ATOM 0 HB3 SER A 235 -6.982 -12.046 13.171 1.00 0.00 H new ATOM 0 HG SER A 235 -5.085 -13.303 12.706 1.00 0.00 H new ATOM 198 N PRO A 236 -8.608 -9.523 12.595 1.00 0.00 N ATOM 199 CA PRO A 236 -9.395 -8.461 13.258 1.00 0.00 C ATOM 200 C PRO A 236 -8.823 -8.053 14.623 1.00 0.00 C ATOM 201 O PRO A 236 -9.038 -6.936 15.087 1.00 0.00 O ATOM 202 CB PRO A 236 -10.776 -9.101 13.437 1.00 0.00 C ATOM 203 CG PRO A 236 -10.848 -10.146 12.378 1.00 0.00 C ATOM 204 CD PRO A 236 -9.451 -10.677 12.225 1.00 0.00 C ATOM 0 HA PRO A 236 -9.399 -7.543 12.670 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -10.885 -9.536 14.431 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -11.572 -8.365 13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -11.539 -10.941 12.660 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -11.211 -9.726 11.440 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -9.272 -11.532 12.877 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -9.256 -11.008 11.205 1.00 0.00 H new ATOM 212 N TYR A 237 -8.097 -8.970 15.255 1.00 0.00 N ATOM 213 CA TYR A 237 -7.493 -8.722 16.571 1.00 0.00 C ATOM 214 C TYR A 237 -6.271 -7.803 16.467 1.00 0.00 C ATOM 215 O TYR A 237 -5.661 -7.453 17.477 1.00 0.00 O ATOM 216 CB TYR A 237 -7.074 -10.046 17.217 1.00 0.00 C ATOM 217 CG TYR A 237 -8.123 -11.128 17.134 1.00 0.00 C ATOM 218 CD1 TYR A 237 -9.187 -11.168 18.024 1.00 0.00 C ATOM 219 CD2 TYR A 237 -8.046 -12.115 16.161 1.00 0.00 C ATOM 220 CE1 TYR A 237 -10.143 -12.162 17.946 1.00 0.00 C ATOM 221 CE2 TYR A 237 -8.996 -13.106 16.075 1.00 0.00 C ATOM 222 CZ TYR A 237 -10.043 -13.127 16.969 1.00 0.00 C ATOM 223 OH TYR A 237 -10.991 -14.124 16.884 1.00 0.00 O ATOM 0 H TYR A 237 -7.909 -9.899 14.879 1.00 0.00 H new ATOM 0 HA TYR A 237 -8.244 -8.228 17.188 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -6.162 -10.400 16.736 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -6.833 -9.867 18.265 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -9.269 -10.410 18.789 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -7.225 -12.105 15.459 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -10.964 -12.182 18.647 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -8.921 -13.864 15.310 1.00 0.00 H new ATOM 0 HH TYR A 237 -10.772 -14.721 16.139 1.00 0.00 H new ATOM 229 N ASP A 238 -5.912 -7.433 15.248 1.00 0.00 N ATOM 230 CA ASP A 238 -4.767 -6.566 15.012 1.00 0.00 C ATOM 231 C ASP A 238 -5.041 -5.146 15.498 1.00 0.00 C ATOM 232 O ASP A 238 -6.190 -4.697 15.512 1.00 0.00 O ATOM 233 CB ASP A 238 -4.411 -6.551 13.529 1.00 0.00 C ATOM 234 CG ASP A 238 -3.286 -5.603 13.224 1.00 0.00 C ATOM 235 OD1 ASP A 238 -2.106 -6.019 13.325 1.00 0.00 O ATOM 236 OD2 ASP A 238 -3.569 -4.434 12.902 1.00 0.00 O ATOM 0 H ASP A 238 -6.401 -7.722 14.401 1.00 0.00 H new ATOM 0 HA ASP A 238 -3.924 -6.963 15.578 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -4.132 -7.556 13.214 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -5.290 -6.268 12.949 1.00 0.00 H new ATOM 239 N THR A 239 -3.989 -4.444 15.887 1.00 0.00 N ATOM 240 CA THR A 239 -4.126 -3.102 16.388 1.00 0.00 C ATOM 241 C THR A 239 -3.390 -2.066 15.520 1.00 0.00 C ATOM 242 O THR A 239 -2.166 -1.918 15.605 1.00 0.00 O ATOM 243 CB THR A 239 -3.633 -3.001 17.845 1.00 0.00 C ATOM 244 OG1 THR A 239 -2.345 -3.632 17.970 1.00 0.00 O ATOM 245 CG2 THR A 239 -4.620 -3.662 18.797 1.00 0.00 C ATOM 0 H THR A 239 -3.030 -4.791 15.862 1.00 0.00 H new ATOM 0 HA THR A 239 -5.191 -2.871 16.349 1.00 0.00 H new ATOM 0 HB THR A 239 -3.550 -1.946 18.107 1.00 0.00 H new ATOM 0 HG1 THR A 239 -1.755 -3.317 17.254 1.00 0.00 H new ATOM 0 HG21 THR A 239 -4.251 -3.578 19.819 1.00 0.00 H new ATOM 0 HG22 THR A 239 -5.588 -3.167 18.719 1.00 0.00 H new ATOM 0 HG23 THR A 239 -4.729 -4.715 18.535 1.00 0.00 H new ATOM 252 N ASP A 240 -4.152 -1.402 14.656 1.00 0.00 N ATOM 253 CA ASP A 240 -3.684 -0.252 13.856 1.00 0.00 C ATOM 254 C ASP A 240 -2.733 -0.577 12.708 1.00 0.00 C ATOM 255 O ASP A 240 -2.094 0.332 12.171 1.00 0.00 O ATOM 256 CB ASP A 240 -3.099 0.854 14.737 1.00 0.00 C ATOM 257 CG ASP A 240 -4.169 1.617 15.476 1.00 0.00 C ATOM 258 OD1 ASP A 240 -5.029 2.242 14.811 1.00 0.00 O ATOM 259 OD2 ASP A 240 -4.177 1.584 16.722 1.00 0.00 O ATOM 0 H ASP A 240 -5.128 -1.644 14.482 1.00 0.00 H new ATOM 0 HA ASP A 240 -4.594 0.103 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -2.405 0.416 15.455 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -2.524 1.544 14.119 1.00 0.00 H new ATOM 262 N SER A 241 -2.621 -1.825 12.313 1.00 0.00 N ATOM 263 CA SER A 241 -1.841 -2.128 11.120 1.00 0.00 C ATOM 264 C SER A 241 -2.694 -1.788 9.899 1.00 0.00 C ATOM 265 O SER A 241 -3.861 -1.400 10.044 1.00 0.00 O ATOM 266 CB SER A 241 -1.415 -3.594 11.087 1.00 0.00 C ATOM 267 OG SER A 241 -0.745 -3.962 12.287 1.00 0.00 O ATOM 0 H SER A 241 -3.043 -2.629 12.778 1.00 0.00 H new ATOM 0 HA SER A 241 -0.927 -1.534 11.122 1.00 0.00 H new ATOM 0 HB2 SER A 241 -2.291 -4.227 10.948 1.00 0.00 H new ATOM 0 HB3 SER A 241 -0.759 -3.766 10.234 1.00 0.00 H new ATOM 0 HG SER A 241 -0.957 -4.893 12.508 1.00 0.00 H new ATOM 273 N LEU A 242 -2.154 -1.917 8.710 1.00 0.00 N ATOM 274 CA LEU A 242 -2.930 -1.579 7.544 1.00 0.00 C ATOM 275 C LEU A 242 -3.446 -2.825 6.857 1.00 0.00 C ATOM 276 O LEU A 242 -2.713 -3.795 6.655 1.00 0.00 O ATOM 277 CB LEU A 242 -2.142 -0.708 6.571 1.00 0.00 C ATOM 278 CG LEU A 242 -2.972 -0.062 5.458 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.060 0.827 6.050 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.083 0.739 4.524 1.00 0.00 C ATOM 0 H LEU A 242 -1.205 -2.245 8.528 1.00 0.00 H new ATOM 0 HA LEU A 242 -3.786 -0.996 7.883 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -1.643 0.080 7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -1.361 -1.316 6.114 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.449 -0.855 4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.640 1.278 5.245 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -4.718 0.227 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.601 1.613 6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.692 1.190 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.577 1.523 5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.341 0.080 4.073 1.00 0.00 H new ATOM 292 N LYS A 243 -4.713 -2.795 6.519 1.00 0.00 N ATOM 293 CA LYS A 243 -5.367 -3.902 5.867 1.00 0.00 C ATOM 294 C LYS A 243 -5.459 -3.628 4.378 1.00 0.00 C ATOM 295 O LYS A 243 -6.221 -2.765 3.943 1.00 0.00 O ATOM 296 CB LYS A 243 -6.760 -4.093 6.470 1.00 0.00 C ATOM 297 CG LYS A 243 -6.733 -4.298 7.977 1.00 0.00 C ATOM 298 CD LYS A 243 -8.118 -4.242 8.585 1.00 0.00 C ATOM 299 CE LYS A 243 -8.044 -4.288 10.103 1.00 0.00 C ATOM 300 NZ LYS A 243 -9.378 -4.161 10.730 1.00 0.00 N ATOM 0 H LYS A 243 -5.323 -1.995 6.690 1.00 0.00 H new ATOM 0 HA LYS A 243 -4.793 -4.816 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.373 -3.222 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.238 -4.953 6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.277 -5.262 8.203 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.105 -3.534 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -8.622 -3.329 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.714 -5.078 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -7.585 -5.226 10.415 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -7.399 -3.484 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -9.280 -4.197 11.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -9.806 -3.254 10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -9.987 -4.942 10.412 1.00 0.00 H new ATOM 303 N ILE A 244 -4.671 -4.341 3.603 1.00 0.00 N ATOM 304 CA ILE A 244 -4.633 -4.119 2.175 1.00 0.00 C ATOM 305 C ILE A 244 -5.335 -5.242 1.415 1.00 0.00 C ATOM 306 O ILE A 244 -5.525 -6.347 1.940 1.00 0.00 O ATOM 307 CB ILE A 244 -3.182 -3.943 1.665 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.349 -5.200 1.939 1.00 0.00 C ATOM 309 CG2 ILE A 244 -2.543 -2.723 2.322 1.00 0.00 C ATOM 310 CD1 ILE A 244 -0.903 -5.085 1.507 1.00 0.00 C ATOM 0 H ILE A 244 -4.050 -5.078 3.937 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.173 -3.192 1.983 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.211 -3.789 0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.383 -5.420 3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -2.805 -6.045 1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.522 -2.606 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.121 -1.832 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -2.529 -2.858 3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.380 -6.014 1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -0.858 -4.896 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.428 -4.262 2.041 1.00 0.00 H new ATOM 321 N LYS A 245 -5.722 -4.946 0.182 1.00 0.00 N ATOM 322 CA LYS A 245 -6.440 -5.894 -0.657 1.00 0.00 C ATOM 323 C LYS A 245 -5.747 -6.017 -2.010 1.00 0.00 C ATOM 324 O LYS A 245 -4.929 -5.187 -2.361 1.00 0.00 O ATOM 325 CB LYS A 245 -7.887 -5.425 -0.847 1.00 0.00 C ATOM 326 CG LYS A 245 -8.009 -4.119 -1.622 1.00 0.00 C ATOM 327 CD LYS A 245 -9.413 -3.539 -1.548 1.00 0.00 C ATOM 328 CE LYS A 245 -9.733 -3.038 -0.148 1.00 0.00 C ATOM 329 NZ LYS A 245 -11.021 -2.310 -0.099 1.00 0.00 N ATOM 0 H LYS A 245 -5.548 -4.045 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.444 -6.871 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.446 -6.201 -1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.351 -5.302 0.131 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -7.297 -3.395 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -7.743 -4.291 -2.665 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -9.508 -2.719 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -10.138 -4.299 -1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -9.768 -3.883 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -8.933 -2.382 0.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -11.113 -1.829 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -11.051 -1.606 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -11.805 -2.983 -0.217 1.00 0.00 H new ATOM 332 N LYS A 246 -6.074 -7.050 -2.758 1.00 0.00 N ATOM 333 CA LYS A 246 -5.449 -7.262 -4.057 1.00 0.00 C ATOM 334 C LYS A 246 -6.034 -6.337 -5.135 1.00 0.00 C ATOM 335 O LYS A 246 -7.041 -6.652 -5.773 1.00 0.00 O ATOM 336 CB LYS A 246 -5.538 -8.739 -4.485 1.00 0.00 C ATOM 337 CG LYS A 246 -6.950 -9.310 -4.486 1.00 0.00 C ATOM 338 CD LYS A 246 -6.967 -10.745 -4.977 1.00 0.00 C ATOM 339 CE LYS A 246 -8.384 -11.285 -5.049 1.00 0.00 C ATOM 340 NZ LYS A 246 -8.411 -12.709 -5.457 1.00 0.00 N ATOM 0 H LYS A 246 -6.764 -7.754 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.395 -7.005 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -5.117 -8.841 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -4.918 -9.336 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -7.363 -9.264 -3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -7.591 -8.699 -5.122 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -6.504 -10.800 -5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -6.371 -11.368 -4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -8.864 -11.177 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -8.963 -10.693 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -9.396 -13.041 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -7.976 -12.809 -6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -7.880 -13.278 -4.767 1.00 0.00 H new ATOM 343 N GLY A 247 -5.412 -5.183 -5.299 1.00 0.00 N ATOM 344 CA GLY A 247 -5.832 -4.259 -6.325 1.00 0.00 C ATOM 345 C GLY A 247 -6.574 -3.057 -5.779 1.00 0.00 C ATOM 346 O GLY A 247 -7.805 -3.028 -5.779 1.00 0.00 O ATOM 0 H GLY A 247 -4.621 -4.869 -4.737 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -4.957 -3.917 -6.877 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.473 -4.782 -7.035 1.00 0.00 H new ATOM 350 N ASP A 248 -5.829 -2.065 -5.306 1.00 0.00 N ATOM 351 CA ASP A 248 -6.401 -0.819 -4.808 1.00 0.00 C ATOM 352 C ASP A 248 -5.280 0.221 -4.791 1.00 0.00 C ATOM 353 O ASP A 248 -4.120 -0.126 -5.042 1.00 0.00 O ATOM 354 CB ASP A 248 -6.995 -0.997 -3.397 1.00 0.00 C ATOM 355 CG ASP A 248 -8.130 -0.018 -3.101 1.00 0.00 C ATOM 356 OD1 ASP A 248 -8.023 1.172 -3.476 1.00 0.00 O ATOM 357 OD2 ASP A 248 -9.147 -0.440 -2.501 1.00 0.00 O ATOM 0 H ASP A 248 -4.811 -2.101 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.218 -0.499 -5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -7.365 -2.017 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.206 -0.865 -2.657 1.00 0.00 H new ATOM 360 N ILE A 249 -5.592 1.461 -4.480 1.00 0.00 N ATOM 361 CA ILE A 249 -4.589 2.523 -4.508 1.00 0.00 C ATOM 362 C ILE A 249 -4.223 2.947 -3.089 1.00 0.00 C ATOM 363 O ILE A 249 -5.095 3.299 -2.290 1.00 0.00 O ATOM 364 CB ILE A 249 -5.099 3.762 -5.293 1.00 0.00 C ATOM 365 CG1 ILE A 249 -5.521 3.369 -6.721 1.00 0.00 C ATOM 366 CG2 ILE A 249 -4.035 4.854 -5.331 1.00 0.00 C ATOM 367 CD1 ILE A 249 -4.393 2.825 -7.576 1.00 0.00 C ATOM 0 H ILE A 249 -6.526 1.765 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.708 2.126 -5.013 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.973 4.154 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -6.310 2.620 -6.661 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.947 4.242 -7.215 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -4.414 5.712 -5.886 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.790 5.159 -4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.139 4.472 -5.821 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -4.775 2.573 -8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -3.612 3.579 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.980 1.931 -7.108 1.00 0.00 H new ATOM 378 N ILE A 250 -2.941 2.918 -2.773 1.00 0.00 N ATOM 379 CA ILE A 250 -2.484 3.286 -1.447 1.00 0.00 C ATOM 380 C ILE A 250 -1.563 4.498 -1.494 1.00 0.00 C ATOM 381 O ILE A 250 -0.515 4.469 -2.140 1.00 0.00 O ATOM 382 CB ILE A 250 -1.718 2.127 -0.765 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.521 0.833 -0.840 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.416 2.475 0.692 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.811 -0.352 -0.227 1.00 0.00 C ATOM 0 H ILE A 250 -2.199 2.643 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.379 3.522 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.777 1.981 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.475 0.977 -0.333 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.744 0.613 -1.884 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.877 1.651 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.805 3.377 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.350 2.646 1.226 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.439 -1.238 -0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.869 -0.522 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.612 -0.152 0.826 1.00 0.00 H new ATOM 396 N ASP A 251 -1.971 5.567 -0.833 1.00 0.00 N ATOM 397 CA ASP A 251 -1.123 6.738 -0.689 1.00 0.00 C ATOM 398 C ASP A 251 -0.129 6.450 0.422 1.00 0.00 C ATOM 399 O ASP A 251 -0.444 5.687 1.333 1.00 0.00 O ATOM 400 CB ASP A 251 -1.964 7.970 -0.353 1.00 0.00 C ATOM 401 CG ASP A 251 -1.138 9.236 -0.256 1.00 0.00 C ATOM 402 OD1 ASP A 251 -0.956 9.908 -1.285 1.00 0.00 O ATOM 403 OD2 ASP A 251 -0.678 9.566 0.846 1.00 0.00 O ATOM 0 H ASP A 251 -2.885 5.649 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.599 6.946 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -2.731 8.100 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.480 7.805 0.593 1.00 0.00 H new ATOM 406 N ILE A 252 1.046 7.046 0.376 1.00 0.00 N ATOM 407 CA ILE A 252 2.086 6.715 1.336 1.00 0.00 C ATOM 408 C ILE A 252 2.651 7.979 1.983 1.00 0.00 C ATOM 409 O ILE A 252 2.972 8.949 1.292 1.00 0.00 O ATOM 410 CB ILE A 252 3.227 5.929 0.648 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.657 4.707 -0.083 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.272 5.496 1.667 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.630 4.057 -1.031 1.00 0.00 C ATOM 0 H ILE A 252 1.305 7.756 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 252 1.640 6.093 2.112 1.00 0.00 H new ATOM 0 HB ILE A 252 3.709 6.582 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.336 3.971 0.654 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.769 5.009 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.066 4.945 1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.694 6.376 2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.806 4.857 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.155 3.201 -1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 252 3.933 4.777 -1.792 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.508 3.722 -0.478 1.00 0.00 H new ATOM 424 N ILE A 253 2.769 7.964 3.304 1.00 0.00 N ATOM 425 CA ILE A 253 3.276 9.121 4.040 1.00 0.00 C ATOM 426 C ILE A 253 4.592 8.812 4.753 1.00 0.00 C ATOM 427 O ILE A 253 5.190 9.687 5.375 1.00 0.00 O ATOM 428 CB ILE A 253 2.246 9.636 5.071 1.00 0.00 C ATOM 429 CG1 ILE A 253 1.855 8.522 6.053 1.00 0.00 C ATOM 430 CG2 ILE A 253 1.018 10.184 4.358 1.00 0.00 C ATOM 431 CD1 ILE A 253 0.867 8.959 7.117 1.00 0.00 C ATOM 0 H ILE A 253 2.522 7.166 3.890 1.00 0.00 H new ATOM 0 HA ILE A 253 3.455 9.899 3.298 1.00 0.00 H new ATOM 0 HB ILE A 253 2.702 10.443 5.644 1.00 0.00 H new ATOM 0 HG12 ILE A 253 1.426 7.691 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 253 2.756 8.147 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 253 0.300 10.544 5.095 1.00 0.00 H new ATOM 0 HG22 ILE A 253 1.312 11.007 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 253 0.561 9.394 3.761 1.00 0.00 H new ATOM 0 HD11 ILE A 253 0.641 8.117 7.771 1.00 0.00 H new ATOM 0 HD12 ILE A 253 1.299 9.769 7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 253 -0.050 9.306 6.641 1.00 0.00 H new ATOM 442 N CYS A 254 5.042 7.574 4.651 1.00 0.00 N ATOM 443 CA CYS A 254 6.288 7.161 5.283 1.00 0.00 C ATOM 444 C CYS A 254 6.845 5.930 4.588 1.00 0.00 C ATOM 445 O CYS A 254 6.157 4.910 4.462 1.00 0.00 O ATOM 446 CB CYS A 254 6.076 6.877 6.776 1.00 0.00 C ATOM 447 SG CYS A 254 7.592 6.518 7.694 1.00 0.00 S ATOM 0 H CYS A 254 4.564 6.834 4.136 1.00 0.00 H new ATOM 0 HA CYS A 254 7.006 7.976 5.189 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.586 7.738 7.231 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.395 6.032 6.879 1.00 0.00 H new ATOM 0 HG CYS A 254 7.302 6.296 8.942 1.00 0.00 H new ATOM 453 N LYS A 255 8.075 6.031 4.118 1.00 0.00 N ATOM 454 CA LYS A 255 8.721 4.938 3.423 1.00 0.00 C ATOM 455 C LYS A 255 10.002 4.523 4.123 1.00 0.00 C ATOM 456 O LYS A 255 10.738 5.360 4.649 1.00 0.00 O ATOM 457 CB LYS A 255 9.025 5.333 1.983 1.00 0.00 C ATOM 458 CG LYS A 255 7.786 5.616 1.164 1.00 0.00 C ATOM 459 CD LYS A 255 8.128 6.213 -0.183 1.00 0.00 C ATOM 460 CE LYS A 255 8.848 5.216 -1.078 1.00 0.00 C ATOM 461 NZ LYS A 255 9.053 5.751 -2.445 1.00 0.00 N ATOM 0 H LYS A 255 8.650 6.869 4.208 1.00 0.00 H new ATOM 0 HA LYS A 255 8.037 4.089 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.661 6.218 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.592 4.533 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 255 7.226 4.692 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.137 6.300 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 255 7.215 6.548 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 255 8.755 7.093 -0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 255 9.813 4.963 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 255 8.271 4.293 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 9.547 5.043 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 8.131 5.968 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 9.625 6.618 -2.396 1.00 0.00 H new ATOM 464 N THR A 256 10.253 3.238 4.133 1.00 0.00 N ATOM 465 CA THR A 256 11.451 2.680 4.711 1.00 0.00 C ATOM 466 C THR A 256 12.163 1.836 3.653 1.00 0.00 C ATOM 467 O THR A 256 11.542 1.448 2.659 1.00 0.00 O ATOM 468 CB THR A 256 11.110 1.800 5.940 1.00 0.00 C ATOM 469 OG1 THR A 256 10.055 0.884 5.609 1.00 0.00 O ATOM 470 CG2 THR A 256 10.683 2.660 7.122 1.00 0.00 C ATOM 0 H THR A 256 9.624 2.541 3.735 1.00 0.00 H new ATOM 0 HA THR A 256 12.099 3.492 5.043 1.00 0.00 H new ATOM 0 HB THR A 256 12.005 1.243 6.219 1.00 0.00 H new ATOM 0 HG1 THR A 256 9.316 0.993 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 256 10.449 2.019 7.972 1.00 0.00 H new ATOM 0 HG22 THR A 256 11.493 3.338 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 256 9.801 3.239 6.850 1.00 0.00 H new ATOM 477 N PRO A 257 13.471 1.576 3.811 1.00 0.00 N ATOM 478 CA PRO A 257 14.217 0.741 2.867 1.00 0.00 C ATOM 479 C PRO A 257 13.560 -0.636 2.686 1.00 0.00 C ATOM 480 O PRO A 257 13.066 -0.965 1.604 1.00 0.00 O ATOM 481 CB PRO A 257 15.609 0.601 3.510 1.00 0.00 C ATOM 482 CG PRO A 257 15.454 1.102 4.912 1.00 0.00 C ATOM 483 CD PRO A 257 14.327 2.089 4.884 1.00 0.00 C ATOM 0 HA PRO A 257 14.252 1.181 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.944 -0.436 3.499 1.00 0.00 H new ATOM 0 HB3 PRO A 257 16.353 1.182 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A 257 15.236 0.282 5.596 1.00 0.00 H new ATOM 0 HG3 PRO A 257 16.374 1.572 5.261 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.800 2.128 5.837 1.00 0.00 H new ATOM 0 HD3 PRO A 257 14.679 3.099 4.673 1.00 0.00 H new ATOM 491 N MET A 258 13.552 -1.429 3.750 1.00 0.00 N ATOM 492 CA MET A 258 12.927 -2.742 3.726 1.00 0.00 C ATOM 493 C MET A 258 12.162 -2.986 5.017 1.00 0.00 C ATOM 494 O MET A 258 12.751 -3.040 6.094 1.00 0.00 O ATOM 495 CB MET A 258 13.972 -3.847 3.532 1.00 0.00 C ATOM 496 CG MET A 258 14.751 -3.753 2.230 1.00 0.00 C ATOM 497 SD MET A 258 15.936 -5.098 2.027 1.00 0.00 S ATOM 498 CE MET A 258 16.920 -4.910 3.514 1.00 0.00 C ATOM 0 H MET A 258 13.975 -1.182 4.645 1.00 0.00 H new ATOM 0 HA MET A 258 12.235 -2.767 2.885 1.00 0.00 H new ATOM 0 HB2 MET A 258 14.675 -3.816 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 258 13.472 -4.815 3.573 1.00 0.00 H new ATOM 0 HG2 MET A 258 14.053 -3.760 1.393 1.00 0.00 H new ATOM 0 HG3 MET A 258 15.280 -2.800 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 258 17.947 -5.215 3.312 1.00 0.00 H new ATOM 0 HE2 MET A 258 16.906 -3.867 3.830 1.00 0.00 H new ATOM 0 HE3 MET A 258 16.506 -5.534 4.306 1.00 0.00 H new ATOM 508 N GLY A 259 10.856 -3.120 4.910 1.00 0.00 N ATOM 509 CA GLY A 259 10.044 -3.365 6.077 1.00 0.00 C ATOM 510 C GLY A 259 8.611 -2.942 5.873 1.00 0.00 C ATOM 511 O GLY A 259 7.987 -3.290 4.864 1.00 0.00 O ATOM 0 H GLY A 259 10.340 -3.063 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.076 -4.426 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.462 -2.827 6.928 1.00 0.00 H new ATOM 515 N MET A 260 8.088 -2.191 6.819 1.00 0.00 N ATOM 516 CA MET A 260 6.717 -1.722 6.748 1.00 0.00 C ATOM 517 C MET A 260 6.654 -0.241 6.420 1.00 0.00 C ATOM 518 O MET A 260 7.329 0.578 7.054 1.00 0.00 O ATOM 519 CB MET A 260 5.965 -1.986 8.062 1.00 0.00 C ATOM 520 CG MET A 260 5.447 -3.411 8.236 1.00 0.00 C ATOM 521 SD MET A 260 6.755 -4.646 8.378 1.00 0.00 S ATOM 522 CE MET A 260 5.780 -6.116 8.697 1.00 0.00 C ATOM 0 H MET A 260 8.594 -1.890 7.652 1.00 0.00 H new ATOM 0 HA MET A 260 6.235 -2.282 5.947 1.00 0.00 H new ATOM 0 HB2 MET A 260 6.628 -1.753 8.895 1.00 0.00 H new ATOM 0 HB3 MET A 260 5.121 -1.299 8.124 1.00 0.00 H new ATOM 0 HG2 MET A 260 4.820 -3.454 9.127 1.00 0.00 H new ATOM 0 HG3 MET A 260 4.812 -3.663 7.387 1.00 0.00 H new ATOM 0 HE1 MET A 260 6.442 -6.974 8.810 1.00 0.00 H new ATOM 0 HE2 MET A 260 5.204 -5.979 9.612 1.00 0.00 H new ATOM 0 HE3 MET A 260 5.100 -6.290 7.863 1.00 0.00 H new ATOM 532 N TRP A 261 5.880 0.090 5.405 1.00 0.00 N ATOM 533 CA TRP A 261 5.629 1.475 5.040 1.00 0.00 C ATOM 534 C TRP A 261 4.366 1.961 5.733 1.00 0.00 C ATOM 535 O TRP A 261 3.690 1.187 6.399 1.00 0.00 O ATOM 536 CB TRP A 261 5.473 1.616 3.522 1.00 0.00 C ATOM 537 CG TRP A 261 6.754 1.467 2.762 1.00 0.00 C ATOM 538 CD1 TRP A 261 7.981 1.176 3.271 1.00 0.00 C ATOM 539 CD2 TRP A 261 6.930 1.610 1.349 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.912 1.137 2.266 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.293 1.396 1.076 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.069 1.895 0.289 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.816 1.465 -0.213 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.587 1.959 -0.990 1.00 0.00 C ATOM 545 CH2 TRP A 261 7.949 1.745 -1.231 1.00 0.00 C ATOM 0 H TRP A 261 5.407 -0.590 4.810 1.00 0.00 H new ATOM 0 HA TRP A 261 6.479 2.080 5.357 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.764 0.867 3.169 1.00 0.00 H new ATOM 0 HB3 TRP A 261 5.042 2.593 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.191 1.001 4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.907 0.946 2.387 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.017 2.063 0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.867 1.303 -0.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 5.930 2.178 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.322 1.802 -2.243 1.00 0.00 H new ATOM 551 N THR A 262 4.036 3.224 5.556 1.00 0.00 N ATOM 552 CA THR A 262 2.848 3.782 6.175 1.00 0.00 C ATOM 553 C THR A 262 1.971 4.437 5.120 1.00 0.00 C ATOM 554 O THR A 262 2.375 5.414 4.474 1.00 0.00 O ATOM 555 CB THR A 262 3.194 4.814 7.266 1.00 0.00 C ATOM 556 OG1 THR A 262 4.170 4.265 8.161 1.00 0.00 O ATOM 557 CG2 THR A 262 1.951 5.196 8.059 1.00 0.00 C ATOM 0 H THR A 262 4.571 3.883 4.991 1.00 0.00 H new ATOM 0 HA THR A 262 2.312 2.959 6.649 1.00 0.00 H new ATOM 0 HB THR A 262 3.594 5.704 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.388 4.925 8.852 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.217 5.925 8.824 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.210 5.629 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.535 4.307 8.534 1.00 0.00 H new ATOM 564 N GLY A 263 0.785 3.899 4.942 1.00 0.00 N ATOM 565 CA GLY A 263 -0.118 4.411 3.948 1.00 0.00 C ATOM 566 C GLY A 263 -1.532 4.462 4.451 1.00 0.00 C ATOM 567 O GLY A 263 -1.776 4.274 5.641 1.00 0.00 O ATOM 0 H GLY A 263 0.428 3.107 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.198 5.411 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -0.072 3.784 3.058 1.00 0.00 H new ATOM 571 N MET A 264 -2.470 4.689 3.555 1.00 0.00 N ATOM 572 CA MET A 264 -3.864 4.777 3.941 1.00 0.00 C ATOM 573 C MET A 264 -4.738 3.993 2.976 1.00 0.00 C ATOM 574 O MET A 264 -4.557 4.063 1.755 1.00 0.00 O ATOM 575 CB MET A 264 -4.335 6.241 4.036 1.00 0.00 C ATOM 576 CG MET A 264 -4.390 6.980 2.704 1.00 0.00 C ATOM 577 SD MET A 264 -5.052 8.655 2.870 1.00 0.00 S ATOM 578 CE MET A 264 -5.105 9.180 1.155 1.00 0.00 C ATOM 0 H MET A 264 -2.294 4.816 2.558 1.00 0.00 H new ATOM 0 HA MET A 264 -3.960 4.336 4.933 1.00 0.00 H new ATOM 0 HB2 MET A 264 -5.327 6.261 4.488 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.667 6.780 4.708 1.00 0.00 H new ATOM 0 HG2 MET A 264 -3.388 7.029 2.277 1.00 0.00 H new ATOM 0 HG3 MET A 264 -5.007 6.416 2.004 1.00 0.00 H new ATOM 0 HE1 MET A 264 -5.784 10.027 1.055 1.00 0.00 H new ATOM 0 HE2 MET A 264 -4.106 9.475 0.834 1.00 0.00 H new ATOM 0 HE3 MET A 264 -5.458 8.357 0.533 1.00 0.00 H new ATOM 588 N LEU A 265 -5.664 3.241 3.528 1.00 0.00 N ATOM 589 CA LEU A 265 -6.577 2.431 2.746 1.00 0.00 C ATOM 590 C LEU A 265 -7.785 2.076 3.609 1.00 0.00 C ATOM 591 O LEU A 265 -7.643 1.848 4.811 1.00 0.00 O ATOM 592 CB LEU A 265 -5.874 1.141 2.271 1.00 0.00 C ATOM 593 CG LEU A 265 -6.148 0.692 0.820 1.00 0.00 C ATOM 594 CD1 LEU A 265 -5.510 -0.659 0.555 1.00 0.00 C ATOM 595 CD2 LEU A 265 -7.638 0.637 0.518 1.00 0.00 C ATOM 0 H LEU A 265 -5.807 3.172 4.536 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.900 2.991 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.799 1.278 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -6.166 0.330 2.938 1.00 0.00 H new ATOM 0 HG LEU A 265 -5.702 1.434 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -5.712 -0.962 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -4.433 -0.589 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.926 -1.398 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -7.789 0.317 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -8.120 -0.071 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -8.074 1.626 0.658 1.00 0.00 H new ATOM 607 N ASN A 266 -8.966 2.048 2.995 1.00 0.00 N ATOM 608 CA ASN A 266 -10.219 1.710 3.688 1.00 0.00 C ATOM 609 C ASN A 266 -10.526 2.729 4.775 1.00 0.00 C ATOM 610 O ASN A 266 -11.086 2.386 5.820 1.00 0.00 O ATOM 611 CB ASN A 266 -10.163 0.294 4.305 1.00 0.00 C ATOM 612 CG ASN A 266 -9.761 -0.785 3.318 1.00 0.00 C ATOM 613 OD1 ASN A 266 -10.587 -1.307 2.570 1.00 0.00 O ATOM 614 ND2 ASN A 266 -8.492 -1.145 3.330 1.00 0.00 N ATOM 0 H ASN A 266 -9.087 2.258 2.004 1.00 0.00 H new ATOM 0 HA ASN A 266 -11.014 1.729 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.456 0.297 5.135 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -11.141 0.049 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -8.165 -1.881 2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -7.838 -0.688 3.965 1.00 0.00 H new ATOM 621 N ASN A 267 -10.165 3.986 4.509 1.00 0.00 N ATOM 622 CA ASN A 267 -10.406 5.106 5.434 1.00 0.00 C ATOM 623 C ASN A 267 -9.536 5.006 6.685 1.00 0.00 C ATOM 624 O ASN A 267 -9.799 5.672 7.683 1.00 0.00 O ATOM 625 CB ASN A 267 -11.895 5.201 5.826 1.00 0.00 C ATOM 626 CG ASN A 267 -12.803 5.502 4.646 1.00 0.00 C ATOM 627 OD1 ASN A 267 -13.276 4.593 3.964 1.00 0.00 O ATOM 628 ND2 ASN A 267 -13.064 6.772 4.410 1.00 0.00 N ATOM 0 H ASN A 267 -9.696 4.261 3.646 1.00 0.00 H new ATOM 0 HA ASN A 267 -10.130 6.017 4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -12.205 4.262 6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -12.018 5.979 6.579 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -13.678 7.032 3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -12.652 7.495 4.999 1.00 0.00 H new ATOM 635 N LYS A 268 -8.497 4.188 6.625 1.00 0.00 N ATOM 636 CA LYS A 268 -7.604 4.021 7.759 1.00 0.00 C ATOM 637 C LYS A 268 -6.150 4.164 7.338 1.00 0.00 C ATOM 638 O LYS A 268 -5.758 3.711 6.263 1.00 0.00 O ATOM 639 CB LYS A 268 -7.813 2.653 8.424 1.00 0.00 C ATOM 640 CG LYS A 268 -6.891 2.412 9.614 1.00 0.00 C ATOM 641 CD LYS A 268 -7.036 1.013 10.176 1.00 0.00 C ATOM 642 CE LYS A 268 -6.104 0.804 11.362 1.00 0.00 C ATOM 643 NZ LYS A 268 -6.377 1.775 12.460 1.00 0.00 N ATOM 0 H LYS A 268 -8.252 3.631 5.806 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.841 4.806 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.849 2.572 8.754 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.652 1.869 7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.857 2.574 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -7.111 3.140 10.395 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.068 0.846 10.486 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -6.814 0.280 9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -6.218 -0.212 11.739 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -5.070 0.908 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -5.845 1.497 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -6.083 2.727 12.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -7.394 1.779 12.675 1.00 0.00 H new ATOM 646 N VAL A 269 -5.363 4.804 8.180 1.00 0.00 N ATOM 647 CA VAL A 269 -3.939 4.948 7.944 1.00 0.00 C ATOM 648 C VAL A 269 -3.170 3.952 8.821 1.00 0.00 C ATOM 649 O VAL A 269 -3.448 3.821 10.016 1.00 0.00 O ATOM 650 CB VAL A 269 -3.458 6.405 8.220 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.800 6.841 9.639 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.964 6.550 7.958 1.00 0.00 C ATOM 0 H VAL A 269 -5.690 5.237 9.044 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.741 4.734 6.894 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.988 7.061 7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.452 7.861 9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.880 6.800 9.782 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.314 6.175 10.352 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.657 7.576 8.159 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.413 5.872 8.610 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.752 6.305 6.917 1.00 0.00 H new ATOM 662 N GLY A 270 -2.239 3.228 8.231 1.00 0.00 N ATOM 663 CA GLY A 270 -1.493 2.255 8.994 1.00 0.00 C ATOM 664 C GLY A 270 -0.237 1.797 8.291 1.00 0.00 C ATOM 665 O GLY A 270 0.100 2.297 7.214 1.00 0.00 O ATOM 0 H GLY A 270 -1.986 3.294 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.227 2.684 9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.128 1.392 9.193 1.00 0.00 H new ATOM 669 N ASN A 271 0.447 0.841 8.893 1.00 0.00 N ATOM 670 CA ASN A 271 1.687 0.315 8.341 1.00 0.00 C ATOM 671 C ASN A 271 1.454 -1.026 7.650 1.00 0.00 C ATOM 672 O ASN A 271 0.718 -1.879 8.155 1.00 0.00 O ATOM 673 CB ASN A 271 2.764 0.190 9.436 1.00 0.00 C ATOM 674 CG ASN A 271 2.344 -0.686 10.607 1.00 0.00 C ATOM 675 OD1 ASN A 271 2.558 -1.898 10.600 1.00 0.00 O ATOM 676 ND2 ASN A 271 1.768 -0.074 11.631 1.00 0.00 N ATOM 0 H ASN A 271 0.163 0.408 9.772 1.00 0.00 H new ATOM 0 HA ASN A 271 2.047 1.019 7.591 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.673 -0.219 8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 271 3.010 1.185 9.807 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.485 -0.610 12.452 1.00 0.00 H new ATOM 0 HD22 ASN A 271 1.608 0.933 11.599 1.00 0.00 H new ATOM 683 N PHE A 272 2.069 -1.197 6.484 1.00 0.00 N ATOM 684 CA PHE A 272 1.922 -2.419 5.695 1.00 0.00 C ATOM 685 C PHE A 272 3.271 -2.870 5.141 1.00 0.00 C ATOM 686 O PHE A 272 4.218 -2.090 5.083 1.00 0.00 O ATOM 687 CB PHE A 272 0.950 -2.178 4.527 1.00 0.00 C ATOM 688 CG PHE A 272 1.424 -1.128 3.545 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.232 0.223 3.799 1.00 0.00 C ATOM 690 CD2 PHE A 272 2.066 -1.496 2.373 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.670 1.181 2.906 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.507 -0.540 1.478 1.00 0.00 C ATOM 693 CZ PHE A 272 2.307 0.799 1.744 1.00 0.00 C ATOM 0 H PHE A 272 2.680 -0.499 6.060 1.00 0.00 H new ATOM 0 HA PHE A 272 1.528 -3.199 6.347 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.796 -3.117 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.018 -1.877 4.928 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.734 0.529 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 272 2.223 -2.542 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.514 2.229 3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 272 3.008 -0.841 0.570 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.649 1.547 1.043 1.00 0.00 H new ATOM 699 N LYS A 273 3.347 -4.122 4.722 1.00 0.00 N ATOM 700 CA LYS A 273 4.566 -4.655 4.136 1.00 0.00 C ATOM 701 C LYS A 273 4.662 -4.200 2.674 1.00 0.00 C ATOM 702 O LYS A 273 3.850 -4.604 1.836 1.00 0.00 O ATOM 703 CB LYS A 273 4.572 -6.182 4.224 1.00 0.00 C ATOM 704 CG LYS A 273 5.922 -6.816 3.945 1.00 0.00 C ATOM 705 CD LYS A 273 6.908 -6.518 5.055 1.00 0.00 C ATOM 706 CE LYS A 273 8.222 -7.250 4.847 1.00 0.00 C ATOM 707 NZ LYS A 273 8.083 -8.717 5.033 1.00 0.00 N ATOM 0 H LYS A 273 2.578 -4.790 4.777 1.00 0.00 H new ATOM 0 HA LYS A 273 5.429 -4.280 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.243 -6.479 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 273 3.844 -6.578 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.805 -7.895 3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 273 6.313 -6.443 2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 273 7.092 -5.445 5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.477 -6.808 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 273 8.594 -7.047 3.843 1.00 0.00 H new ATOM 0 HE3 LYS A 273 8.965 -6.866 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 9.026 -9.154 5.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 7.581 -8.908 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 7.544 -9.118 4.239 1.00 0.00 H new ATOM 710 N PHE A 274 5.665 -3.374 2.380 1.00 0.00 N ATOM 711 CA PHE A 274 5.818 -2.751 1.055 1.00 0.00 C ATOM 712 C PHE A 274 5.864 -3.764 -0.094 1.00 0.00 C ATOM 713 O PHE A 274 5.438 -3.461 -1.198 1.00 0.00 O ATOM 714 CB PHE A 274 7.066 -1.854 1.016 1.00 0.00 C ATOM 715 CG PHE A 274 8.377 -2.595 0.896 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.892 -3.310 1.961 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.092 -2.565 -0.292 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.091 -3.984 1.845 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.291 -3.237 -0.413 1.00 0.00 C ATOM 720 CZ PHE A 274 10.792 -3.947 0.657 1.00 0.00 C ATOM 0 H PHE A 274 6.393 -3.115 3.045 1.00 0.00 H new ATOM 0 HA PHE A 274 4.925 -2.145 0.904 1.00 0.00 H new ATOM 0 HB2 PHE A 274 6.975 -1.166 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 274 7.089 -1.248 1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.350 -3.342 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.705 -2.009 -1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.481 -4.541 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.836 -3.207 -1.345 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.731 -4.473 0.566 1.00 0.00 H new ATOM 726 N ILE A 275 6.386 -4.955 0.167 1.00 0.00 N ATOM 727 CA ILE A 275 6.506 -5.983 -0.873 1.00 0.00 C ATOM 728 C ILE A 275 5.172 -6.290 -1.567 1.00 0.00 C ATOM 729 O ILE A 275 5.154 -6.713 -2.725 1.00 0.00 O ATOM 730 CB ILE A 275 7.105 -7.303 -0.319 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.101 -8.024 0.590 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.396 -7.019 0.434 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.606 -9.344 1.138 1.00 0.00 C ATOM 0 H ILE A 275 6.733 -5.238 1.083 1.00 0.00 H new ATOM 0 HA ILE A 275 7.187 -5.561 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 275 7.326 -7.958 -1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 275 5.846 -7.370 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.182 -8.202 0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.806 -7.953 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.116 -6.556 -0.241 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.192 -6.344 1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.840 -9.792 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 275 6.834 -10.018 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.508 -9.173 1.726 1.00 0.00 H new ATOM 744 N TYR A 276 4.058 -6.061 -0.878 1.00 0.00 N ATOM 745 CA TYR A 276 2.756 -6.380 -1.437 1.00 0.00 C ATOM 746 C TYR A 276 2.209 -5.266 -2.328 1.00 0.00 C ATOM 747 O TYR A 276 1.084 -5.370 -2.838 1.00 0.00 O ATOM 748 CB TYR A 276 1.766 -6.717 -0.322 1.00 0.00 C ATOM 749 CG TYR A 276 2.194 -7.907 0.505 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.345 -9.154 -0.078 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.460 -7.781 1.860 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.749 -10.243 0.659 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.865 -8.871 2.612 1.00 0.00 C ATOM 754 CZ TYR A 276 3.009 -10.100 2.002 1.00 0.00 C ATOM 755 OH TYR A 276 3.423 -11.193 2.736 1.00 0.00 O ATOM 0 H TYR A 276 4.034 -5.659 0.059 1.00 0.00 H new ATOM 0 HA TYR A 276 2.887 -7.254 -2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.652 -5.851 0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.788 -6.918 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.142 -9.274 -1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.350 -6.818 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.862 -11.207 0.185 1.00 0.00 H new ATOM 0 HE2 TYR A 276 3.066 -8.760 3.667 1.00 0.00 H new ATOM 0 HH TYR A 276 3.566 -10.926 3.668 1.00 0.00 H new ATOM 761 N VAL A 277 2.990 -4.215 -2.542 1.00 0.00 N ATOM 762 CA VAL A 277 2.548 -3.119 -3.394 1.00 0.00 C ATOM 763 C VAL A 277 3.562 -2.844 -4.501 1.00 0.00 C ATOM 764 O VAL A 277 4.716 -3.266 -4.420 1.00 0.00 O ATOM 765 CB VAL A 277 2.288 -1.809 -2.596 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.322 -2.052 -1.450 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.588 -1.201 -2.087 1.00 0.00 C ATOM 0 H VAL A 277 3.921 -4.098 -2.143 1.00 0.00 H new ATOM 0 HA VAL A 277 1.603 -3.438 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 277 1.831 -1.093 -3.280 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.158 -1.120 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.373 -2.414 -1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.741 -2.796 -0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.370 -0.287 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.090 -1.912 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.236 -0.968 -2.932 1.00 0.00 H new ATOM 777 N ASP A 278 3.111 -2.162 -5.536 1.00 0.00 N ATOM 778 CA ASP A 278 3.960 -1.773 -6.654 1.00 0.00 C ATOM 779 C ASP A 278 3.790 -0.301 -6.933 1.00 0.00 C ATOM 780 O ASP A 278 2.661 0.195 -7.027 1.00 0.00 O ATOM 781 CB ASP A 278 3.619 -2.562 -7.927 1.00 0.00 C ATOM 782 CG ASP A 278 4.199 -3.958 -7.948 1.00 0.00 C ATOM 783 OD1 ASP A 278 5.443 -4.094 -7.918 1.00 0.00 O ATOM 784 OD2 ASP A 278 3.420 -4.925 -8.027 1.00 0.00 O ATOM 0 H ASP A 278 2.141 -1.859 -5.629 1.00 0.00 H new ATOM 0 HA ASP A 278 4.991 -1.993 -6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 278 2.535 -2.626 -8.025 1.00 0.00 H new ATOM 0 HB3 ASP A 278 3.985 -2.012 -8.794 1.00 0.00 H new ATOM 787 N VAL A 279 4.888 0.404 -7.058 1.00 0.00 N ATOM 788 CA VAL A 279 4.829 1.814 -7.354 1.00 0.00 C ATOM 789 C VAL A 279 4.566 2.032 -8.841 1.00 0.00 C ATOM 790 O VAL A 279 5.447 1.857 -9.686 1.00 0.00 O ATOM 791 CB VAL A 279 6.111 2.559 -6.899 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.122 2.691 -5.384 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.364 1.831 -7.366 1.00 0.00 C ATOM 0 H VAL A 279 5.830 0.026 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 279 4.000 2.237 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 279 6.107 3.551 -7.350 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.025 3.215 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 279 5.246 3.253 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.103 1.699 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.247 2.376 -7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 279 7.378 0.825 -6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.365 1.770 -8.454 1.00 0.00 H new ATOM 803 N ILE A 280 3.339 2.387 -9.153 1.00 0.00 N ATOM 804 CA ILE A 280 2.926 2.592 -10.527 1.00 0.00 C ATOM 805 C ILE A 280 3.603 3.812 -11.130 1.00 0.00 C ATOM 806 O ILE A 280 3.917 4.774 -10.423 1.00 0.00 O ATOM 807 CB ILE A 280 1.376 2.718 -10.676 1.00 0.00 C ATOM 808 CG1 ILE A 280 0.825 4.016 -10.026 1.00 0.00 C ATOM 809 CG2 ILE A 280 0.684 1.491 -10.098 1.00 0.00 C ATOM 810 CD1 ILE A 280 0.868 4.046 -8.504 1.00 0.00 C ATOM 0 H ILE A 280 2.601 2.542 -8.466 1.00 0.00 H new ATOM 0 HA ILE A 280 3.240 1.703 -11.074 1.00 0.00 H new ATOM 0 HB ILE A 280 1.158 2.778 -11.742 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.394 4.864 -10.407 1.00 0.00 H new ATOM 0 HG13 ILE A 280 -0.207 4.155 -10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 280 -0.395 1.595 -10.210 1.00 0.00 H new ATOM 0 HG22 ILE A 280 1.020 0.600 -10.629 1.00 0.00 H new ATOM 0 HG23 ILE A 280 0.932 1.398 -9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 280 0.462 4.992 -8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 280 0.273 3.223 -8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 280 1.900 3.944 -8.167 1.00 0.00 H new