USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 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 Single : A 229 HIS : no HD1:sc= -1 K(o=-1,f=-0.23) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 235 SER OG : rot 180:sc= 0.00339 USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 THR OG1 : rot 180:sc= 0 USER MOD Single : A 241 SER OG : rot 74:sc= 1.14 USER MOD Single : A 243 LYS NZ :NH3+ 163:sc= -0.0605 (180deg=-0.305) USER MOD Single : A 245 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 133:sc= 1.47 USER MOD Single : A 258 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 260 MET CE :methyl 150:sc= -0.0169 (180deg=-1.86!) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl -169:sc= -0.381 (180deg=-0.489) USER MOD Single : A 266 ASN : amide:sc= -2.3! K(o=-2.3!,f=-1.2) USER MOD Single : A 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 LYS NZ :NH3+ -160:sc= 1.54 (180deg=1.15) USER MOD Single : A 271 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 5.414 8.128 -3.776 1.00 0.00 N ATOM 49 CA GLY A 224 4.690 8.167 -2.530 1.00 0.00 C ATOM 50 C GLY A 224 3.293 7.628 -2.682 1.00 0.00 C ATOM 51 O GLY A 224 2.402 7.952 -1.896 1.00 0.00 O ATOM 0 HA2 GLY A 224 5.225 7.585 -1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 224 4.647 9.194 -2.166 1.00 0.00 H new ATOM 55 N ARG A 225 3.103 6.822 -3.704 1.00 0.00 N ATOM 56 CA ARG A 225 1.837 6.171 -3.974 1.00 0.00 C ATOM 57 C ARG A 225 2.090 4.818 -4.593 1.00 0.00 C ATOM 58 O ARG A 225 2.828 4.700 -5.577 1.00 0.00 O ATOM 59 CB ARG A 225 0.955 7.020 -4.898 1.00 0.00 C ATOM 60 CG ARG A 225 0.315 8.205 -4.203 1.00 0.00 C ATOM 61 CD ARG A 225 -0.598 8.980 -5.125 1.00 0.00 C ATOM 62 NE ARG A 225 -1.361 9.989 -4.390 1.00 0.00 N ATOM 63 CZ ARG A 225 -2.230 10.832 -4.950 1.00 0.00 C ATOM 64 NH1 ARG A 225 -2.427 10.818 -6.262 1.00 0.00 N ATOM 65 NH2 ARG A 225 -2.902 11.689 -4.194 1.00 0.00 N ATOM 0 H ARG A 225 3.832 6.597 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 225 1.305 6.050 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 225 1.557 7.380 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 225 0.172 6.390 -5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 225 -0.253 7.856 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 225 1.094 8.867 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -0.008 9.463 -5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.283 8.294 -5.623 1.00 0.00 H new ATOM 0 HE ARG A 225 -1.219 10.052 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -1.913 10.160 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -3.093 11.465 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -2.754 11.703 -3.185 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -3.567 12.334 -4.622 1.00 0.00 H new ATOM 68 N ALA A 226 1.501 3.797 -4.020 1.00 0.00 N ATOM 69 CA ALA A 226 1.700 2.456 -4.506 1.00 0.00 C ATOM 70 C ALA A 226 0.388 1.721 -4.615 1.00 0.00 C ATOM 71 O ALA A 226 -0.503 1.893 -3.784 1.00 0.00 O ATOM 72 CB ALA A 226 2.657 1.703 -3.598 1.00 0.00 C ATOM 0 H ALA A 226 0.879 3.871 -3.215 1.00 0.00 H new ATOM 0 HA ALA A 226 2.137 2.516 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.798 0.691 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.617 2.219 -3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.243 1.658 -2.590 1.00 0.00 H new ATOM 78 N ARG A 227 0.259 0.926 -5.650 1.00 0.00 N ATOM 79 CA ARG A 227 -0.917 0.125 -5.856 1.00 0.00 C ATOM 80 C ARG A 227 -0.628 -1.282 -5.383 1.00 0.00 C ATOM 81 O ARG A 227 0.424 -1.831 -5.685 1.00 0.00 O ATOM 82 CB ARG A 227 -1.285 0.118 -7.342 1.00 0.00 C ATOM 83 CG ARG A 227 -2.533 -0.675 -7.673 1.00 0.00 C ATOM 84 CD ARG A 227 -2.894 -0.551 -9.143 1.00 0.00 C ATOM 85 NE ARG A 227 -4.230 -1.076 -9.422 1.00 0.00 N ATOM 86 CZ ARG A 227 -4.702 -1.334 -10.647 1.00 0.00 C ATOM 87 NH1 ARG A 227 -3.936 -1.130 -11.717 1.00 0.00 N ATOM 88 NH2 ARG A 227 -5.944 -1.791 -10.802 1.00 0.00 N ATOM 0 H ARG A 227 0.970 0.818 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.756 0.537 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.424 1.147 -7.674 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.449 -0.290 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.377 -1.724 -7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.363 -0.322 -7.062 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.846 0.496 -9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -2.160 -1.088 -9.744 1.00 0.00 H new ATOM 0 HE ARG A 227 -4.844 -1.258 -8.628 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -2.986 -0.776 -11.604 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -4.299 -1.328 -12.649 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -6.536 -1.945 -9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -6.302 -1.987 -11.737 1.00 0.00 H new ATOM 91 N VAL A 228 -1.541 -1.871 -4.665 1.00 0.00 N ATOM 92 CA VAL A 228 -1.318 -3.198 -4.137 1.00 0.00 C ATOM 93 C VAL A 228 -1.722 -4.248 -5.162 1.00 0.00 C ATOM 94 O VAL A 228 -2.807 -4.186 -5.725 1.00 0.00 O ATOM 95 CB VAL A 228 -2.067 -3.409 -2.797 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.470 -2.857 -2.875 1.00 0.00 C ATOM 97 CG2 VAL A 228 -2.092 -4.875 -2.415 1.00 0.00 C ATOM 0 H VAL A 228 -2.445 -1.461 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.253 -3.306 -3.932 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.527 -2.865 -2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -3.977 -3.016 -1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.429 -1.789 -3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.018 -3.366 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.623 -4.996 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.600 -5.445 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -1.071 -5.240 -2.306 1.00 0.00 H new ATOM 107 N HIS A 229 -0.829 -5.192 -5.430 1.00 0.00 N ATOM 108 CA HIS A 229 -1.105 -6.231 -6.423 1.00 0.00 C ATOM 109 C HIS A 229 -1.170 -7.598 -5.784 1.00 0.00 C ATOM 110 O HIS A 229 -1.479 -8.589 -6.444 1.00 0.00 O ATOM 111 CB HIS A 229 -0.056 -6.226 -7.535 1.00 0.00 C ATOM 112 CG HIS A 229 -0.191 -5.091 -8.498 1.00 0.00 C ATOM 113 ND1 HIS A 229 -0.588 -5.258 -9.803 1.00 0.00 N ATOM 114 CD2 HIS A 229 0.037 -3.770 -8.345 1.00 0.00 C ATOM 115 CE1 HIS A 229 -0.597 -4.094 -10.413 1.00 0.00 C ATOM 116 NE2 HIS A 229 -0.223 -3.170 -9.549 1.00 0.00 N ATOM 0 H HIS A 229 0.084 -5.263 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 229 -2.078 -6.007 -6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 229 0.936 -6.189 -7.084 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -0.121 -7.165 -8.085 1.00 0.00 H new ATOM 0 HD2 HIS A 229 0.364 -3.277 -7.441 1.00 0.00 H new ATOM 0 HE1 HIS A 229 -0.865 -3.923 -11.445 1.00 0.00 H new ATOM 0 HE2 HIS A 229 -0.141 -2.172 -9.745 1.00 0.00 H new ATOM 121 N THR A 230 -0.897 -7.647 -4.506 1.00 0.00 N ATOM 122 CA THR A 230 -0.921 -8.883 -3.774 1.00 0.00 C ATOM 123 C THR A 230 -1.782 -8.707 -2.537 1.00 0.00 C ATOM 124 O THR A 230 -1.553 -7.789 -1.754 1.00 0.00 O ATOM 125 CB THR A 230 0.501 -9.300 -3.359 1.00 0.00 C ATOM 126 OG1 THR A 230 1.375 -9.219 -4.498 1.00 0.00 O ATOM 127 CG2 THR A 230 0.511 -10.724 -2.816 1.00 0.00 C ATOM 0 H THR A 230 -0.652 -6.831 -3.945 1.00 0.00 H new ATOM 0 HA THR A 230 -1.335 -9.664 -4.411 1.00 0.00 H new ATOM 0 HB THR A 230 0.845 -8.625 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 230 2.281 -9.483 -4.234 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.527 -10.997 -2.529 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.141 -10.786 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 230 0.155 -11.409 -3.585 1.00 0.00 H new ATOM 134 N ASP A 231 -2.784 -9.562 -2.375 1.00 0.00 N ATOM 135 CA ASP A 231 -3.701 -9.465 -1.241 1.00 0.00 C ATOM 136 C ASP A 231 -2.973 -9.550 0.097 1.00 0.00 C ATOM 137 O ASP A 231 -1.814 -9.981 0.175 1.00 0.00 O ATOM 138 CB ASP A 231 -4.795 -10.537 -1.320 1.00 0.00 C ATOM 139 CG ASP A 231 -4.257 -11.950 -1.222 1.00 0.00 C ATOM 140 OD1 ASP A 231 -3.846 -12.505 -2.259 1.00 0.00 O ATOM 141 OD2 ASP A 231 -4.257 -12.520 -0.110 1.00 0.00 O ATOM 0 H ASP A 231 -2.984 -10.332 -3.014 1.00 0.00 H new ATOM 0 HA ASP A 231 -4.169 -8.482 -1.300 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.514 -10.373 -0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.336 -10.426 -2.260 1.00 0.00 H new ATOM 144 N PHE A 232 -3.681 -9.191 1.146 1.00 0.00 N ATOM 145 CA PHE A 232 -3.119 -9.120 2.475 1.00 0.00 C ATOM 146 C PHE A 232 -4.236 -8.947 3.488 1.00 0.00 C ATOM 147 O PHE A 232 -5.292 -8.395 3.175 1.00 0.00 O ATOM 148 CB PHE A 232 -2.117 -7.956 2.565 1.00 0.00 C ATOM 149 CG PHE A 232 -1.436 -7.811 3.899 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.501 -8.739 4.320 1.00 0.00 C ATOM 151 CD2 PHE A 232 -1.725 -6.736 4.723 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.132 -8.601 5.539 1.00 0.00 C ATOM 153 CE2 PHE A 232 -1.096 -6.592 5.943 1.00 0.00 C ATOM 154 CZ PHE A 232 -0.166 -7.526 6.352 1.00 0.00 C ATOM 0 H PHE A 232 -4.668 -8.939 1.099 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.586 -10.045 2.694 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -1.355 -8.091 1.797 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -2.639 -7.027 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.263 -9.582 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -2.451 -6.002 4.407 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.860 -9.333 5.856 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -1.331 -5.750 6.577 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.328 -7.416 7.306 1.00 0.00 H new ATOM 160 N THR A 233 -4.016 -9.429 4.680 1.00 0.00 N ATOM 161 CA THR A 233 -4.990 -9.335 5.736 1.00 0.00 C ATOM 162 C THR A 233 -4.283 -9.309 7.079 1.00 0.00 C ATOM 163 O THR A 233 -3.478 -10.202 7.376 1.00 0.00 O ATOM 164 CB THR A 233 -6.002 -10.510 5.694 1.00 0.00 C ATOM 165 OG1 THR A 233 -6.673 -10.526 4.422 1.00 0.00 O ATOM 166 CG2 THR A 233 -7.038 -10.369 6.804 1.00 0.00 C ATOM 0 H THR A 233 -3.152 -9.901 4.949 1.00 0.00 H new ATOM 0 HA THR A 233 -5.552 -8.412 5.594 1.00 0.00 H new ATOM 0 HB THR A 233 -5.454 -11.441 5.838 1.00 0.00 H new ATOM 0 HG1 THR A 233 -7.310 -11.270 4.398 1.00 0.00 H new ATOM 0 HG21 THR A 233 -7.738 -11.203 6.756 1.00 0.00 H new ATOM 0 HG22 THR A 233 -6.537 -10.371 7.772 1.00 0.00 H new ATOM 0 HG23 THR A 233 -7.581 -9.432 6.678 1.00 0.00 H new ATOM 173 N PRO A 234 -4.528 -8.263 7.888 1.00 0.00 N ATOM 174 CA PRO A 234 -3.944 -8.146 9.223 1.00 0.00 C ATOM 175 C PRO A 234 -4.172 -9.408 10.035 1.00 0.00 C ATOM 176 O PRO A 234 -5.225 -10.049 9.917 1.00 0.00 O ATOM 177 CB PRO A 234 -4.711 -6.974 9.842 1.00 0.00 C ATOM 178 CG PRO A 234 -5.121 -6.144 8.678 1.00 0.00 C ATOM 179 CD PRO A 234 -5.388 -7.109 7.557 1.00 0.00 C ATOM 0 HA PRO A 234 -2.865 -7.996 9.196 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -5.576 -7.320 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -4.084 -6.409 10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -6.011 -5.559 8.910 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -4.337 -5.437 8.407 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -6.440 -7.391 7.512 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -5.131 -6.681 6.588 1.00 0.00 H new ATOM 187 N SER A 235 -3.180 -9.783 10.827 1.00 0.00 N ATOM 188 CA SER A 235 -3.267 -10.965 11.660 1.00 0.00 C ATOM 189 C SER A 235 -4.532 -10.908 12.533 1.00 0.00 C ATOM 190 O SER A 235 -4.978 -9.825 12.908 1.00 0.00 O ATOM 191 CB SER A 235 -2.009 -11.068 12.522 1.00 0.00 C ATOM 192 OG SER A 235 -0.840 -10.941 11.717 1.00 0.00 O ATOM 0 H SER A 235 -2.298 -9.278 10.908 1.00 0.00 H new ATOM 0 HA SER A 235 -3.336 -11.853 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 235 -2.019 -10.289 13.285 1.00 0.00 H new ATOM 0 HB3 SER A 235 -1.996 -12.025 13.044 1.00 0.00 H new ATOM 0 HG SER A 235 -0.044 -11.007 12.284 1.00 0.00 H new ATOM 198 N PRO A 236 -5.127 -12.077 12.863 1.00 0.00 N ATOM 199 CA PRO A 236 -6.380 -12.153 13.651 1.00 0.00 C ATOM 200 C PRO A 236 -6.322 -11.368 14.967 1.00 0.00 C ATOM 201 O PRO A 236 -7.353 -11.011 15.535 1.00 0.00 O ATOM 202 CB PRO A 236 -6.524 -13.649 13.939 1.00 0.00 C ATOM 203 CG PRO A 236 -5.795 -14.316 12.824 1.00 0.00 C ATOM 204 CD PRO A 236 -4.638 -13.420 12.488 1.00 0.00 C ATOM 0 HA PRO A 236 -7.216 -11.714 13.106 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -6.094 -13.910 14.906 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -7.572 -13.949 13.964 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -5.448 -15.305 13.122 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -6.445 -14.453 11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -3.743 -13.693 13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -4.382 -13.474 11.430 1.00 0.00 H new ATOM 212 N TYR A 237 -5.123 -11.093 15.431 1.00 0.00 N ATOM 213 CA TYR A 237 -4.926 -10.377 16.680 1.00 0.00 C ATOM 214 C TYR A 237 -4.204 -9.051 16.447 1.00 0.00 C ATOM 215 O TYR A 237 -3.674 -8.454 17.381 1.00 0.00 O ATOM 216 CB TYR A 237 -4.116 -11.246 17.652 1.00 0.00 C ATOM 217 CG TYR A 237 -2.792 -11.731 17.085 1.00 0.00 C ATOM 218 CD1 TYR A 237 -2.728 -12.874 16.299 1.00 0.00 C ATOM 219 CD2 TYR A 237 -1.610 -11.041 17.329 1.00 0.00 C ATOM 220 CE1 TYR A 237 -1.534 -13.318 15.778 1.00 0.00 C ATOM 221 CE2 TYR A 237 -0.410 -11.479 16.808 1.00 0.00 C ATOM 222 CZ TYR A 237 -0.379 -12.618 16.034 1.00 0.00 C ATOM 223 OH TYR A 237 0.812 -13.056 15.510 1.00 0.00 O ATOM 0 H TYR A 237 -4.258 -11.356 14.958 1.00 0.00 H new ATOM 0 HA TYR A 237 -5.905 -10.161 17.109 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -3.924 -10.676 18.561 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -4.716 -12.110 17.939 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -3.633 -13.426 16.092 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -1.632 -10.148 17.936 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -1.505 -14.211 15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 237 0.500 -10.932 17.006 1.00 0.00 H new ATOM 0 HH TYR A 237 1.532 -12.450 15.783 1.00 0.00 H new ATOM 229 N ASP A 238 -4.196 -8.584 15.211 1.00 0.00 N ATOM 230 CA ASP A 238 -3.493 -7.355 14.886 1.00 0.00 C ATOM 231 C ASP A 238 -4.432 -6.310 14.318 1.00 0.00 C ATOM 232 O ASP A 238 -5.228 -6.588 13.414 1.00 0.00 O ATOM 233 CB ASP A 238 -2.346 -7.610 13.912 1.00 0.00 C ATOM 234 CG ASP A 238 -1.518 -6.365 13.672 1.00 0.00 C ATOM 235 OD1 ASP A 238 -1.860 -5.581 12.768 1.00 0.00 O ATOM 236 OD2 ASP A 238 -0.524 -6.163 14.398 1.00 0.00 O ATOM 0 H ASP A 238 -4.663 -9.032 14.423 1.00 0.00 H new ATOM 0 HA ASP A 238 -3.077 -6.973 15.818 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -1.706 -8.401 14.304 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -2.748 -7.966 12.964 1.00 0.00 H new ATOM 239 N THR A 239 -4.343 -5.116 14.858 1.00 0.00 N ATOM 240 CA THR A 239 -5.163 -4.012 14.420 1.00 0.00 C ATOM 241 C THR A 239 -4.307 -2.849 13.913 1.00 0.00 C ATOM 242 O THR A 239 -4.829 -1.783 13.554 1.00 0.00 O ATOM 243 CB THR A 239 -6.045 -3.526 15.577 1.00 0.00 C ATOM 244 OG1 THR A 239 -5.238 -3.353 16.758 1.00 0.00 O ATOM 245 CG2 THR A 239 -7.157 -4.522 15.864 1.00 0.00 C ATOM 0 H THR A 239 -3.699 -4.884 15.614 1.00 0.00 H new ATOM 0 HA THR A 239 -5.787 -4.364 13.599 1.00 0.00 H new ATOM 0 HB THR A 239 -6.496 -2.575 15.293 1.00 0.00 H new ATOM 0 HG1 THR A 239 -5.802 -3.041 17.496 1.00 0.00 H new ATOM 0 HG21 THR A 239 -7.769 -4.156 16.688 1.00 0.00 H new ATOM 0 HG22 THR A 239 -7.777 -4.641 14.976 1.00 0.00 H new ATOM 0 HG23 THR A 239 -6.723 -5.484 16.134 1.00 0.00 H new ATOM 252 N ASP A 240 -2.998 -3.062 13.857 1.00 0.00 N ATOM 253 CA ASP A 240 -2.063 -2.012 13.457 1.00 0.00 C ATOM 254 C ASP A 240 -1.817 -2.025 11.966 1.00 0.00 C ATOM 255 O ASP A 240 -1.529 -0.987 11.365 1.00 0.00 O ATOM 256 CB ASP A 240 -0.723 -2.166 14.182 1.00 0.00 C ATOM 257 CG ASP A 240 -0.827 -1.994 15.680 1.00 0.00 C ATOM 258 OD1 ASP A 240 -0.783 -0.838 16.158 1.00 0.00 O ATOM 259 OD2 ASP A 240 -0.934 -3.011 16.392 1.00 0.00 O ATOM 0 H ASP A 240 -2.557 -3.953 14.084 1.00 0.00 H new ATOM 0 HA ASP A 240 -2.520 -1.062 13.732 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -0.312 -3.152 13.965 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -0.019 -1.433 13.788 1.00 0.00 H new ATOM 262 N SER A 241 -1.940 -3.188 11.366 1.00 0.00 N ATOM 263 CA SER A 241 -1.665 -3.345 9.955 1.00 0.00 C ATOM 264 C SER A 241 -2.769 -2.726 9.095 1.00 0.00 C ATOM 265 O SER A 241 -3.860 -2.395 9.585 1.00 0.00 O ATOM 266 CB SER A 241 -1.494 -4.825 9.624 1.00 0.00 C ATOM 267 OG SER A 241 -0.560 -5.430 10.507 1.00 0.00 O ATOM 0 H SER A 241 -2.231 -4.045 11.837 1.00 0.00 H new ATOM 0 HA SER A 241 -0.739 -2.816 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 241 -2.455 -5.333 9.699 1.00 0.00 H new ATOM 0 HB3 SER A 241 -1.154 -4.936 8.594 1.00 0.00 H new ATOM 0 HG SER A 241 -0.970 -5.542 11.390 1.00 0.00 H new ATOM 273 N LEU A 242 -2.475 -2.567 7.823 1.00 0.00 N ATOM 274 CA LEU A 242 -3.411 -2.001 6.878 1.00 0.00 C ATOM 275 C LEU A 242 -4.043 -3.121 6.049 1.00 0.00 C ATOM 276 O LEU A 242 -3.401 -4.138 5.785 1.00 0.00 O ATOM 277 CB LEU A 242 -2.676 -1.008 5.972 1.00 0.00 C ATOM 278 CG LEU A 242 -3.550 -0.090 5.120 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.447 0.760 6.002 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.677 0.792 4.246 1.00 0.00 C ATOM 0 H LEU A 242 -1.577 -2.828 7.414 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.203 -1.474 7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.035 -0.386 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.023 -1.572 5.306 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.183 -0.704 4.480 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.063 1.408 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.090 0.113 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.833 1.371 6.664 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.308 1.444 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.027 1.399 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -2.068 0.168 3.592 1.00 0.00 H new ATOM 292 N LYS A 243 -5.291 -2.942 5.646 1.00 0.00 N ATOM 293 CA LYS A 243 -5.988 -3.962 4.876 1.00 0.00 C ATOM 294 C LYS A 243 -5.942 -3.635 3.391 1.00 0.00 C ATOM 295 O LYS A 243 -6.708 -2.804 2.905 1.00 0.00 O ATOM 296 CB LYS A 243 -7.441 -4.093 5.335 1.00 0.00 C ATOM 297 CG LYS A 243 -8.182 -5.263 4.700 1.00 0.00 C ATOM 298 CD LYS A 243 -9.659 -5.259 5.069 1.00 0.00 C ATOM 299 CE LYS A 243 -10.421 -4.141 4.359 1.00 0.00 C ATOM 300 NZ LYS A 243 -10.423 -4.311 2.879 1.00 0.00 N ATOM 0 H LYS A 243 -5.841 -2.104 5.838 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.483 -4.913 5.045 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.461 -4.207 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.971 -3.169 5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -8.077 -5.215 3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -7.728 -6.200 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -10.101 -6.221 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -9.763 -5.141 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -11.449 -4.118 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -9.972 -3.181 4.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -11.170 -3.719 2.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -9.500 -4.025 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -10.601 -5.308 2.644 1.00 0.00 H new ATOM 303 N ILE A 244 -5.047 -4.284 2.681 1.00 0.00 N ATOM 304 CA ILE A 244 -4.889 -4.051 1.257 1.00 0.00 C ATOM 305 C ILE A 244 -5.344 -5.274 0.449 1.00 0.00 C ATOM 306 O ILE A 244 -5.274 -6.410 0.929 1.00 0.00 O ATOM 307 CB ILE A 244 -3.419 -3.702 0.905 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.476 -4.830 1.336 1.00 0.00 C ATOM 309 CG2 ILE A 244 -3.014 -2.387 1.563 1.00 0.00 C ATOM 310 CD1 ILE A 244 -1.014 -4.562 1.029 1.00 0.00 C ATOM 0 H ILE A 244 -4.412 -4.983 3.067 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.518 -3.201 0.993 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.342 -3.588 -0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.588 -4.994 2.408 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -2.778 -5.752 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.980 -2.155 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.664 -1.587 1.208 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -3.108 -2.477 2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.411 -5.406 1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -0.886 -4.429 -0.045 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.693 -3.659 1.547 1.00 0.00 H new ATOM 321 N LYS A 245 -5.824 -5.033 -0.758 1.00 0.00 N ATOM 322 CA LYS A 245 -6.294 -6.098 -1.634 1.00 0.00 C ATOM 323 C LYS A 245 -5.805 -5.829 -3.049 1.00 0.00 C ATOM 324 O LYS A 245 -5.574 -4.691 -3.400 1.00 0.00 O ATOM 325 CB LYS A 245 -7.822 -6.182 -1.587 1.00 0.00 C ATOM 326 CG LYS A 245 -8.409 -7.387 -2.316 1.00 0.00 C ATOM 327 CD LYS A 245 -9.909 -7.502 -2.081 1.00 0.00 C ATOM 328 CE LYS A 245 -10.221 -7.790 -0.618 1.00 0.00 C ATOM 329 NZ LYS A 245 -11.678 -7.822 -0.352 1.00 0.00 N ATOM 0 H LYS A 245 -5.900 -4.099 -1.160 1.00 0.00 H new ATOM 0 HA LYS A 245 -5.896 -7.056 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.140 -6.212 -0.545 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.237 -5.272 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -8.212 -7.299 -3.384 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -7.915 -8.297 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -10.398 -6.576 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -10.317 -8.297 -2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -9.781 -8.746 -0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -9.756 -7.028 0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -11.843 -8.021 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -12.096 -6.901 -0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -12.120 -8.566 -0.929 1.00 0.00 H new ATOM 332 N LYS A 246 -5.695 -6.868 -3.865 1.00 0.00 N ATOM 333 CA LYS A 246 -5.101 -6.741 -5.199 1.00 0.00 C ATOM 334 C LYS A 246 -5.885 -5.787 -6.117 1.00 0.00 C ATOM 335 O LYS A 246 -6.873 -6.167 -6.748 1.00 0.00 O ATOM 336 CB LYS A 246 -4.918 -8.124 -5.849 1.00 0.00 C ATOM 337 CG LYS A 246 -6.156 -9.010 -5.823 1.00 0.00 C ATOM 338 CD LYS A 246 -5.846 -10.398 -6.359 1.00 0.00 C ATOM 339 CE LYS A 246 -7.070 -11.298 -6.323 1.00 0.00 C ATOM 340 NZ LYS A 246 -6.749 -12.672 -6.775 1.00 0.00 N ATOM 0 H LYS A 246 -6.008 -7.810 -3.632 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.118 -6.290 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -4.609 -7.985 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -4.105 -8.644 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -6.531 -9.086 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -6.946 -8.554 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -5.481 -10.320 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -5.047 -10.846 -5.769 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -7.468 -11.331 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -7.850 -10.878 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -7.607 -13.259 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -6.392 -12.642 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -6.022 -13.081 -6.153 1.00 0.00 H new ATOM 343 N GLY A 247 -5.433 -4.544 -6.164 1.00 0.00 N ATOM 344 CA GLY A 247 -6.047 -3.546 -7.003 1.00 0.00 C ATOM 345 C GLY A 247 -6.000 -2.167 -6.371 1.00 0.00 C ATOM 346 O GLY A 247 -5.596 -1.201 -7.017 1.00 0.00 O ATOM 0 H GLY A 247 -4.636 -4.207 -5.624 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -5.540 -3.521 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -7.084 -3.822 -7.196 1.00 0.00 H new ATOM 350 N ASP A 248 -6.474 -2.094 -5.126 1.00 0.00 N ATOM 351 CA ASP A 248 -6.496 -0.852 -4.308 1.00 0.00 C ATOM 352 C ASP A 248 -5.263 0.043 -4.475 1.00 0.00 C ATOM 353 O ASP A 248 -4.148 -0.425 -4.752 1.00 0.00 O ATOM 354 CB ASP A 248 -6.693 -1.174 -2.818 1.00 0.00 C ATOM 355 CG ASP A 248 -8.110 -1.590 -2.484 1.00 0.00 C ATOM 356 OD1 ASP A 248 -9.057 -0.969 -3.016 1.00 0.00 O ATOM 357 OD2 ASP A 248 -8.291 -2.543 -1.690 1.00 0.00 O ATOM 0 H ASP A 248 -6.862 -2.901 -4.638 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.346 -0.286 -4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -6.009 -1.973 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.428 -0.299 -2.225 1.00 0.00 H new ATOM 360 N ILE A 249 -5.478 1.337 -4.263 1.00 0.00 N ATOM 361 CA ILE A 249 -4.438 2.347 -4.383 1.00 0.00 C ATOM 362 C ILE A 249 -4.132 2.898 -3.000 1.00 0.00 C ATOM 363 O ILE A 249 -5.036 3.343 -2.294 1.00 0.00 O ATOM 364 CB ILE A 249 -4.905 3.527 -5.280 1.00 0.00 C ATOM 365 CG1 ILE A 249 -5.391 3.023 -6.646 1.00 0.00 C ATOM 366 CG2 ILE A 249 -3.787 4.557 -5.450 1.00 0.00 C ATOM 367 CD1 ILE A 249 -4.311 2.390 -7.488 1.00 0.00 C ATOM 0 H ILE A 249 -6.388 1.716 -4.001 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.559 1.885 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.744 4.013 -4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -6.189 2.296 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.824 3.858 -7.197 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -4.137 5.373 -6.082 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.503 4.950 -4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.923 4.083 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -4.735 2.060 -8.436 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -3.523 3.119 -7.677 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.893 1.533 -6.960 1.00 0.00 H new ATOM 378 N ILE A 250 -2.879 2.867 -2.600 1.00 0.00 N ATOM 379 CA ILE A 250 -2.516 3.356 -1.289 1.00 0.00 C ATOM 380 C ILE A 250 -1.629 4.585 -1.380 1.00 0.00 C ATOM 381 O ILE A 250 -0.517 4.527 -1.926 1.00 0.00 O ATOM 382 CB ILE A 250 -1.792 2.279 -0.420 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.653 1.027 -0.242 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.423 2.850 0.941 1.00 0.00 C ATOM 385 CD1 ILE A 250 -2.567 0.055 -1.392 1.00 0.00 C ATOM 0 H ILE A 250 -2.102 2.512 -3.158 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.457 3.614 -0.804 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.882 1.993 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -2.351 0.518 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -3.692 1.329 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.920 2.085 1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.758 3.703 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.327 3.171 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -3.205 -0.805 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -2.897 0.545 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.536 -0.278 -1.510 1.00 0.00 H new ATOM 396 N ASP A 251 -2.129 5.702 -0.872 1.00 0.00 N ATOM 397 CA ASP A 251 -1.325 6.907 -0.763 1.00 0.00 C ATOM 398 C ASP A 251 -0.382 6.699 0.402 1.00 0.00 C ATOM 399 O ASP A 251 -0.777 6.118 1.413 1.00 0.00 O ATOM 400 CB ASP A 251 -2.214 8.141 -0.536 1.00 0.00 C ATOM 401 CG ASP A 251 -1.437 9.448 -0.554 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.045 9.902 -1.656 1.00 0.00 O ATOM 403 OD2 ASP A 251 -1.230 10.038 0.520 1.00 0.00 O ATOM 0 H ASP A 251 -3.085 5.797 -0.530 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.770 7.087 -1.683 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -2.985 8.173 -1.306 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.725 8.042 0.422 1.00 0.00 H new ATOM 406 N ILE A 252 0.843 7.147 0.286 1.00 0.00 N ATOM 407 CA ILE A 252 1.832 6.844 1.296 1.00 0.00 C ATOM 408 C ILE A 252 2.296 8.111 1.997 1.00 0.00 C ATOM 409 O ILE A 252 2.779 9.052 1.357 1.00 0.00 O ATOM 410 CB ILE A 252 3.044 6.111 0.675 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.564 4.938 -0.186 1.00 0.00 C ATOM 412 CG2 ILE A 252 3.978 5.614 1.765 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.650 4.317 -1.032 1.00 0.00 C ATOM 0 H ILE A 252 1.180 7.718 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 252 1.366 6.189 2.032 1.00 0.00 H new ATOM 0 HB ILE A 252 3.590 6.812 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.140 4.172 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.761 5.283 -0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 252 4.826 5.100 1.311 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.337 6.461 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.442 4.924 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.233 3.494 -1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.059 5.068 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.443 3.940 -0.386 1.00 0.00 H new ATOM 424 N ILE A 253 2.156 8.124 3.309 1.00 0.00 N ATOM 425 CA ILE A 253 2.517 9.279 4.117 1.00 0.00 C ATOM 426 C ILE A 253 3.979 9.193 4.586 1.00 0.00 C ATOM 427 O ILE A 253 4.584 10.197 4.959 1.00 0.00 O ATOM 428 CB ILE A 253 1.568 9.412 5.346 1.00 0.00 C ATOM 429 CG1 ILE A 253 1.902 10.661 6.172 1.00 0.00 C ATOM 430 CG2 ILE A 253 1.626 8.162 6.215 1.00 0.00 C ATOM 431 CD1 ILE A 253 0.997 10.861 7.368 1.00 0.00 C ATOM 0 H ILE A 253 1.790 7.338 3.846 1.00 0.00 H new ATOM 0 HA ILE A 253 2.408 10.166 3.493 1.00 0.00 H new ATOM 0 HB ILE A 253 0.551 9.520 4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 253 2.934 10.593 6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 253 1.838 11.539 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 253 0.955 8.279 7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 253 1.320 7.296 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 253 2.645 8.015 6.574 1.00 0.00 H new ATOM 0 HD11 ILE A 253 1.294 11.763 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 253 -0.035 10.962 7.031 1.00 0.00 H new ATOM 0 HD13 ILE A 253 1.078 10.002 8.034 1.00 0.00 H new ATOM 442 N CYS A 254 4.552 7.999 4.530 1.00 0.00 N ATOM 443 CA CYS A 254 5.923 7.794 4.970 1.00 0.00 C ATOM 444 C CYS A 254 6.517 6.578 4.275 1.00 0.00 C ATOM 445 O CYS A 254 5.942 5.487 4.319 1.00 0.00 O ATOM 446 CB CYS A 254 5.975 7.615 6.493 1.00 0.00 C ATOM 447 SG CYS A 254 7.646 7.541 7.186 1.00 0.00 S ATOM 0 H CYS A 254 4.088 7.159 4.184 1.00 0.00 H new ATOM 0 HA CYS A 254 6.511 8.673 4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.438 8.440 6.961 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.446 6.699 6.756 1.00 0.00 H new ATOM 0 HG CYS A 254 7.575 7.391 8.475 1.00 0.00 H new ATOM 453 N LYS A 255 7.654 6.770 3.625 1.00 0.00 N ATOM 454 CA LYS A 255 8.312 5.690 2.909 1.00 0.00 C ATOM 455 C LYS A 255 9.565 5.233 3.645 1.00 0.00 C ATOM 456 O LYS A 255 10.662 5.733 3.396 1.00 0.00 O ATOM 457 CB LYS A 255 8.672 6.098 1.460 1.00 0.00 C ATOM 458 CG LYS A 255 7.472 6.283 0.523 1.00 0.00 C ATOM 459 CD LYS A 255 6.744 7.607 0.758 1.00 0.00 C ATOM 460 CE LYS A 255 7.567 8.797 0.285 1.00 0.00 C ATOM 461 NZ LYS A 255 6.860 10.087 0.513 1.00 0.00 N ATOM 0 H LYS A 255 8.141 7.665 3.579 1.00 0.00 H new ATOM 0 HA LYS A 255 7.606 4.861 2.862 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.237 7.029 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.330 5.339 1.037 1.00 0.00 H new ATOM 0 HG2 LYS A 255 7.813 6.238 -0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 255 6.774 5.458 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 255 5.789 7.594 0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 255 6.523 7.717 1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 255 8.522 8.809 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 255 7.788 8.687 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 7.454 10.872 0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 5.960 10.086 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 6.672 10.205 1.529 1.00 0.00 H new ATOM 464 N THR A 256 9.388 4.318 4.570 1.00 0.00 N ATOM 465 CA THR A 256 10.488 3.759 5.323 1.00 0.00 C ATOM 466 C THR A 256 11.180 2.654 4.516 1.00 0.00 C ATOM 467 O THR A 256 10.607 1.594 4.289 1.00 0.00 O ATOM 468 CB THR A 256 9.975 3.201 6.655 1.00 0.00 C ATOM 469 OG1 THR A 256 8.575 2.904 6.525 1.00 0.00 O ATOM 470 CG2 THR A 256 10.177 4.209 7.776 1.00 0.00 C ATOM 0 H THR A 256 8.475 3.939 4.822 1.00 0.00 H new ATOM 0 HA THR A 256 11.215 4.546 5.524 1.00 0.00 H new ATOM 0 HB THR A 256 10.533 2.297 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 256 8.395 2.011 6.886 1.00 0.00 H new ATOM 0 HG21 THR A 256 9.806 3.792 8.712 1.00 0.00 H new ATOM 0 HG22 THR A 256 11.239 4.435 7.875 1.00 0.00 H new ATOM 0 HG23 THR A 256 9.632 5.124 7.545 1.00 0.00 H new ATOM 477 N PRO A 257 12.431 2.885 4.088 1.00 0.00 N ATOM 478 CA PRO A 257 13.171 1.947 3.214 1.00 0.00 C ATOM 479 C PRO A 257 13.623 0.653 3.920 1.00 0.00 C ATOM 480 O PRO A 257 14.680 0.105 3.606 1.00 0.00 O ATOM 481 CB PRO A 257 14.388 2.772 2.783 1.00 0.00 C ATOM 482 CG PRO A 257 14.604 3.734 3.897 1.00 0.00 C ATOM 483 CD PRO A 257 13.238 4.076 4.420 1.00 0.00 C ATOM 0 HA PRO A 257 12.544 1.592 2.396 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.262 2.139 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 257 14.202 3.290 1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 257 15.222 3.293 4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 257 15.122 4.627 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.255 4.262 5.494 1.00 0.00 H new ATOM 0 HD3 PRO A 257 12.841 4.974 3.947 1.00 0.00 H new ATOM 491 N MET A 258 12.812 0.157 4.837 1.00 0.00 N ATOM 492 CA MET A 258 13.140 -1.064 5.553 1.00 0.00 C ATOM 493 C MET A 258 12.199 -2.203 5.184 1.00 0.00 C ATOM 494 O MET A 258 12.603 -3.147 4.502 1.00 0.00 O ATOM 495 CB MET A 258 13.155 -0.835 7.065 1.00 0.00 C ATOM 496 CG MET A 258 14.379 -0.080 7.553 1.00 0.00 C ATOM 497 SD MET A 258 15.918 -0.932 7.147 1.00 0.00 S ATOM 498 CE MET A 258 17.122 0.163 7.895 1.00 0.00 C ATOM 0 H MET A 258 11.923 0.580 5.104 1.00 0.00 H new ATOM 0 HA MET A 258 14.145 -1.356 5.247 1.00 0.00 H new ATOM 0 HB2 MET A 258 12.260 -0.282 7.349 1.00 0.00 H new ATOM 0 HB3 MET A 258 13.108 -1.799 7.571 1.00 0.00 H new ATOM 0 HG2 MET A 258 14.390 0.916 7.109 1.00 0.00 H new ATOM 0 HG3 MET A 258 14.314 0.053 8.633 1.00 0.00 H new ATOM 0 HE1 MET A 258 18.125 -0.230 7.728 1.00 0.00 H new ATOM 0 HE2 MET A 258 17.041 1.153 7.446 1.00 0.00 H new ATOM 0 HE3 MET A 258 16.933 0.234 8.966 1.00 0.00 H new ATOM 508 N GLY A 259 10.948 -2.118 5.619 1.00 0.00 N ATOM 509 CA GLY A 259 10.001 -3.178 5.315 1.00 0.00 C ATOM 510 C GLY A 259 8.558 -2.720 5.357 1.00 0.00 C ATOM 511 O GLY A 259 7.806 -2.922 4.396 1.00 0.00 O ATOM 0 H GLY A 259 10.574 -1.345 6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.219 -3.578 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.137 -3.993 6.026 1.00 0.00 H new ATOM 515 N MET A 260 8.165 -2.111 6.458 1.00 0.00 N ATOM 516 CA MET A 260 6.795 -1.657 6.622 1.00 0.00 C ATOM 517 C MET A 260 6.668 -0.184 6.294 1.00 0.00 C ATOM 518 O MET A 260 7.295 0.656 6.935 1.00 0.00 O ATOM 519 CB MET A 260 6.288 -1.894 8.054 1.00 0.00 C ATOM 520 CG MET A 260 6.233 -3.352 8.494 1.00 0.00 C ATOM 521 SD MET A 260 7.863 -4.054 8.811 1.00 0.00 S ATOM 522 CE MET A 260 7.410 -5.598 9.592 1.00 0.00 C ATOM 0 H MET A 260 8.774 -1.918 7.253 1.00 0.00 H new ATOM 0 HA MET A 260 6.186 -2.239 5.930 1.00 0.00 H new ATOM 0 HB2 MET A 260 6.931 -1.348 8.744 1.00 0.00 H new ATOM 0 HB3 MET A 260 5.289 -1.467 8.143 1.00 0.00 H new ATOM 0 HG2 MET A 260 5.628 -3.431 9.397 1.00 0.00 H new ATOM 0 HG3 MET A 260 5.734 -3.940 7.724 1.00 0.00 H new ATOM 0 HE1 MET A 260 8.169 -6.350 9.378 1.00 0.00 H new ATOM 0 HE2 MET A 260 7.337 -5.453 10.670 1.00 0.00 H new ATOM 0 HE3 MET A 260 6.448 -5.933 9.205 1.00 0.00 H new ATOM 532 N TRP A 261 5.869 0.122 5.298 1.00 0.00 N ATOM 533 CA TRP A 261 5.589 1.495 4.932 1.00 0.00 C ATOM 534 C TRP A 261 4.365 1.976 5.681 1.00 0.00 C ATOM 535 O TRP A 261 3.775 1.231 6.455 1.00 0.00 O ATOM 536 CB TRP A 261 5.366 1.629 3.420 1.00 0.00 C ATOM 537 CG TRP A 261 6.633 1.655 2.622 1.00 0.00 C ATOM 538 CD1 TRP A 261 7.901 1.588 3.105 1.00 0.00 C ATOM 539 CD2 TRP A 261 6.751 1.772 1.199 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.803 1.654 2.076 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.126 1.767 0.896 1.00 0.00 C ATOM 542 CE3 TRP A 261 5.834 1.875 0.154 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.603 1.862 -0.408 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.308 1.972 -1.142 1.00 0.00 C ATOM 545 CH2 TRP A 261 7.681 1.965 -1.412 1.00 0.00 C ATOM 0 H TRP A 261 5.395 -0.571 4.719 1.00 0.00 H new ATOM 0 HA TRP A 261 6.449 2.109 5.201 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.749 0.798 3.078 1.00 0.00 H new ATOM 0 HB3 TRP A 261 4.806 2.543 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.160 1.496 4.149 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.818 1.624 2.176 1.00 0.00 H new ATOM 0 HE3 TRP A 261 4.772 1.879 0.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.662 1.855 -0.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 5.607 2.055 -1.959 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.019 2.043 -2.435 1.00 0.00 H new ATOM 551 N THR A 262 3.980 3.204 5.455 1.00 0.00 N ATOM 552 CA THR A 262 2.821 3.754 6.114 1.00 0.00 C ATOM 553 C THR A 262 1.956 4.482 5.103 1.00 0.00 C ATOM 554 O THR A 262 2.367 5.496 4.529 1.00 0.00 O ATOM 555 CB THR A 262 3.229 4.710 7.252 1.00 0.00 C ATOM 556 OG1 THR A 262 4.221 4.072 8.070 1.00 0.00 O ATOM 557 CG2 THR A 262 2.025 5.067 8.115 1.00 0.00 C ATOM 0 H THR A 262 4.452 3.846 4.818 1.00 0.00 H new ATOM 0 HA THR A 262 2.253 2.934 6.553 1.00 0.00 H new ATOM 0 HB THR A 262 3.629 5.624 6.814 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.485 4.676 8.795 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.336 5.743 8.912 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.269 5.555 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.608 4.159 8.551 1.00 0.00 H new ATOM 564 N GLY A 263 0.771 3.961 4.880 1.00 0.00 N ATOM 565 CA GLY A 263 -0.111 4.545 3.905 1.00 0.00 C ATOM 566 C GLY A 263 -1.501 4.723 4.436 1.00 0.00 C ATOM 567 O GLY A 263 -1.739 4.554 5.628 1.00 0.00 O ATOM 0 H GLY A 263 0.401 3.140 5.358 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.284 5.512 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -0.141 3.912 3.018 1.00 0.00 H new ATOM 571 N MET A 264 -2.426 5.030 3.556 1.00 0.00 N ATOM 572 CA MET A 264 -3.793 5.265 3.953 1.00 0.00 C ATOM 573 C MET A 264 -4.746 4.624 2.961 1.00 0.00 C ATOM 574 O MET A 264 -4.813 5.025 1.798 1.00 0.00 O ATOM 575 CB MET A 264 -4.074 6.768 4.064 1.00 0.00 C ATOM 576 CG MET A 264 -5.457 7.096 4.608 1.00 0.00 C ATOM 577 SD MET A 264 -5.794 8.871 4.654 1.00 0.00 S ATOM 578 CE MET A 264 -4.523 9.434 5.788 1.00 0.00 C ATOM 0 H MET A 264 -2.254 5.123 2.555 1.00 0.00 H new ATOM 0 HA MET A 264 -3.949 4.813 4.933 1.00 0.00 H new ATOM 0 HB2 MET A 264 -3.323 7.222 4.710 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.964 7.222 3.079 1.00 0.00 H new ATOM 0 HG2 MET A 264 -6.210 6.605 3.992 1.00 0.00 H new ATOM 0 HG3 MET A 264 -5.552 6.687 5.614 1.00 0.00 H new ATOM 0 HE1 MET A 264 -4.719 10.468 6.070 1.00 0.00 H new ATOM 0 HE2 MET A 264 -4.528 8.807 6.680 1.00 0.00 H new ATOM 0 HE3 MET A 264 -3.549 9.369 5.304 1.00 0.00 H new ATOM 588 N LEU A 265 -5.472 3.634 3.423 1.00 0.00 N ATOM 589 CA LEU A 265 -6.437 2.936 2.600 1.00 0.00 C ATOM 590 C LEU A 265 -7.714 2.738 3.396 1.00 0.00 C ATOM 591 O LEU A 265 -7.660 2.403 4.582 1.00 0.00 O ATOM 592 CB LEU A 265 -5.874 1.590 2.135 1.00 0.00 C ATOM 593 CG LEU A 265 -6.749 0.798 1.157 1.00 0.00 C ATOM 594 CD1 LEU A 265 -6.989 1.589 -0.116 1.00 0.00 C ATOM 595 CD2 LEU A 265 -6.107 -0.533 0.832 1.00 0.00 C ATOM 0 H LEU A 265 -5.412 3.288 4.381 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.654 3.529 1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.906 1.766 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -5.694 0.971 3.014 1.00 0.00 H new ATOM 0 HG LEU A 265 -7.712 0.616 1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -7.612 1.006 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -7.493 2.525 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -6.034 1.805 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -6.741 -1.083 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -5.131 -0.365 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -5.986 -1.112 1.748 1.00 0.00 H new ATOM 607 N ASN A 266 -8.855 2.966 2.752 1.00 0.00 N ATOM 608 CA ASN A 266 -10.166 2.877 3.408 1.00 0.00 C ATOM 609 C ASN A 266 -10.249 3.881 4.548 1.00 0.00 C ATOM 610 O ASN A 266 -10.889 3.633 5.572 1.00 0.00 O ATOM 611 CB ASN A 266 -10.449 1.451 3.924 1.00 0.00 C ATOM 612 CG ASN A 266 -10.575 0.438 2.802 1.00 0.00 C ATOM 613 OD1 ASN A 266 -11.641 0.295 2.199 1.00 0.00 O ATOM 614 ND2 ASN A 266 -9.509 -0.297 2.533 1.00 0.00 N ATOM 0 H ASN A 266 -8.903 3.217 1.765 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.928 3.114 2.666 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.646 1.146 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -11.369 1.456 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -9.552 -1.011 1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -8.644 -0.150 3.053 1.00 0.00 H new ATOM 621 N ASN A 267 -9.586 5.026 4.341 1.00 0.00 N ATOM 622 CA ASN A 267 -9.533 6.131 5.311 1.00 0.00 C ATOM 623 C ASN A 267 -8.687 5.785 6.528 1.00 0.00 C ATOM 624 O ASN A 267 -8.548 6.596 7.443 1.00 0.00 O ATOM 625 CB ASN A 267 -10.935 6.582 5.753 1.00 0.00 C ATOM 626 CG ASN A 267 -11.759 7.154 4.619 1.00 0.00 C ATOM 627 OD1 ASN A 267 -12.509 6.435 3.959 1.00 0.00 O ATOM 628 ND2 ASN A 267 -11.625 8.442 4.382 1.00 0.00 N ATOM 0 H ASN A 267 -9.064 5.215 3.485 1.00 0.00 H new ATOM 0 HA ASN A 267 -9.057 6.963 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.464 5.733 6.186 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -10.838 7.332 6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -12.154 8.879 3.627 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -10.992 9.002 4.953 1.00 0.00 H new ATOM 635 N LYS A 268 -8.114 4.597 6.542 1.00 0.00 N ATOM 636 CA LYS A 268 -7.283 4.188 7.652 1.00 0.00 C ATOM 637 C LYS A 268 -5.820 4.310 7.296 1.00 0.00 C ATOM 638 O LYS A 268 -5.387 3.844 6.241 1.00 0.00 O ATOM 639 CB LYS A 268 -7.578 2.746 8.079 1.00 0.00 C ATOM 640 CG LYS A 268 -6.737 2.298 9.270 1.00 0.00 C ATOM 641 CD LYS A 268 -6.870 0.814 9.549 1.00 0.00 C ATOM 642 CE LYS A 268 -6.034 0.416 10.756 1.00 0.00 C ATOM 643 NZ LYS A 268 -6.052 -1.049 11.006 1.00 0.00 N ATOM 0 H LYS A 268 -8.209 3.903 5.800 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.514 4.852 8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.634 2.656 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.393 2.078 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.690 2.537 9.082 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -7.038 2.859 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.916 0.565 9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -6.551 0.245 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -5.005 0.742 10.604 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -6.406 0.936 11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -5.771 -1.237 11.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -7.011 -1.417 10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -5.386 -1.520 10.360 1.00 0.00 H new ATOM 646 N VAL A 269 -5.067 4.946 8.160 1.00 0.00 N ATOM 647 CA VAL A 269 -3.642 5.048 7.983 1.00 0.00 C ATOM 648 C VAL A 269 -2.959 3.940 8.782 1.00 0.00 C ATOM 649 O VAL A 269 -3.118 3.852 10.001 1.00 0.00 O ATOM 650 CB VAL A 269 -3.108 6.452 8.406 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.556 6.820 9.817 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.588 6.516 8.288 1.00 0.00 C ATOM 0 H VAL A 269 -5.423 5.404 8.999 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.411 4.929 6.925 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.536 7.184 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.166 7.804 10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.645 6.839 9.860 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.178 6.081 10.523 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.241 7.505 8.588 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.141 5.762 8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.295 6.327 7.255 1.00 0.00 H new ATOM 662 N GLY A 270 -2.234 3.078 8.097 1.00 0.00 N ATOM 663 CA GLY A 270 -1.601 1.972 8.769 1.00 0.00 C ATOM 664 C GLY A 270 -0.348 1.508 8.078 1.00 0.00 C ATOM 665 O GLY A 270 -0.012 1.987 6.982 1.00 0.00 O ATOM 0 H GLY A 270 -2.073 3.124 7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.360 2.264 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.304 1.141 8.833 1.00 0.00 H new ATOM 669 N ASN A 271 0.345 0.577 8.704 1.00 0.00 N ATOM 670 CA ASN A 271 1.592 0.059 8.171 1.00 0.00 C ATOM 671 C ASN A 271 1.379 -1.233 7.392 1.00 0.00 C ATOM 672 O ASN A 271 0.603 -2.105 7.799 1.00 0.00 O ATOM 673 CB ASN A 271 2.628 -0.154 9.293 1.00 0.00 C ATOM 674 CG ASN A 271 2.280 -1.297 10.237 1.00 0.00 C ATOM 675 OD1 ASN A 271 2.668 -2.444 10.011 1.00 0.00 O ATOM 676 ND2 ASN A 271 1.561 -0.993 11.301 1.00 0.00 N ATOM 0 H ASN A 271 0.063 0.160 9.591 1.00 0.00 H new ATOM 0 HA ASN A 271 1.980 0.806 7.478 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.602 -0.349 8.844 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.721 0.766 9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.308 -1.720 11.970 1.00 0.00 H new ATOM 0 HD22 ASN A 271 1.258 -0.031 11.454 1.00 0.00 H new ATOM 683 N PHE A 272 2.037 -1.325 6.252 1.00 0.00 N ATOM 684 CA PHE A 272 1.977 -2.507 5.409 1.00 0.00 C ATOM 685 C PHE A 272 3.343 -2.757 4.779 1.00 0.00 C ATOM 686 O PHE A 272 4.120 -1.821 4.588 1.00 0.00 O ATOM 687 CB PHE A 272 0.918 -2.313 4.306 1.00 0.00 C ATOM 688 CG PHE A 272 1.219 -1.166 3.368 1.00 0.00 C ATOM 689 CD1 PHE A 272 0.947 0.142 3.738 1.00 0.00 C ATOM 690 CD2 PHE A 272 1.781 -1.400 2.122 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.229 1.191 2.885 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.065 -0.355 1.267 1.00 0.00 C ATOM 693 CZ PHE A 272 1.789 0.942 1.649 1.00 0.00 C ATOM 0 H PHE A 272 2.630 -0.582 5.882 1.00 0.00 H new ATOM 0 HA PHE A 272 1.700 -3.367 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.837 -3.233 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.053 -2.144 4.772 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.509 0.343 4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 272 1.999 -2.413 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.011 2.205 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.503 -0.552 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.011 1.761 0.981 1.00 0.00 H new ATOM 699 N LYS A 273 3.644 -4.000 4.470 1.00 0.00 N ATOM 700 CA LYS A 273 4.916 -4.325 3.838 1.00 0.00 C ATOM 701 C LYS A 273 4.869 -3.997 2.351 1.00 0.00 C ATOM 702 O LYS A 273 4.017 -4.511 1.616 1.00 0.00 O ATOM 703 CB LYS A 273 5.277 -5.791 4.063 1.00 0.00 C ATOM 704 CG LYS A 273 5.519 -6.139 5.521 1.00 0.00 C ATOM 705 CD LYS A 273 5.802 -7.618 5.703 1.00 0.00 C ATOM 706 CE LYS A 273 6.034 -7.955 7.168 1.00 0.00 C ATOM 707 NZ LYS A 273 6.158 -9.414 7.395 1.00 0.00 N ATOM 0 H LYS A 273 3.035 -4.800 4.642 1.00 0.00 H new ATOM 0 HA LYS A 273 5.694 -3.716 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.473 -6.418 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 273 6.172 -6.029 3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 273 6.360 -5.558 5.900 1.00 0.00 H new ATOM 0 HG3 LYS A 273 4.647 -5.860 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 273 4.964 -8.201 5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.679 -7.898 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 273 6.940 -7.457 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 273 5.208 -7.565 7.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 6.315 -9.596 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 5.284 -9.888 7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 6.962 -9.783 6.848 1.00 0.00 H new ATOM 710 N PHE A 274 5.794 -3.143 1.913 1.00 0.00 N ATOM 711 CA PHE A 274 5.829 -2.681 0.519 1.00 0.00 C ATOM 712 C PHE A 274 5.970 -3.832 -0.474 1.00 0.00 C ATOM 713 O PHE A 274 5.643 -3.685 -1.647 1.00 0.00 O ATOM 714 CB PHE A 274 6.941 -1.635 0.295 1.00 0.00 C ATOM 715 CG PHE A 274 8.353 -2.160 0.408 1.00 0.00 C ATOM 716 CD1 PHE A 274 9.005 -2.680 -0.702 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.031 -2.115 1.614 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.300 -3.149 -0.606 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.327 -2.581 1.714 1.00 0.00 C ATOM 720 CZ PHE A 274 10.962 -3.099 0.604 1.00 0.00 C ATOM 0 H PHE A 274 6.531 -2.755 2.501 1.00 0.00 H new ATOM 0 HA PHE A 274 4.867 -2.205 0.332 1.00 0.00 H new ATOM 0 HB2 PHE A 274 6.812 -1.198 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.811 -0.830 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.493 -2.718 -1.652 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.541 -1.711 2.487 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.794 -3.554 -1.476 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.844 -2.540 2.661 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.975 -3.465 0.682 1.00 0.00 H new ATOM 726 N ILE A 275 6.482 -4.959 -0.008 1.00 0.00 N ATOM 727 CA ILE A 275 6.639 -6.150 -0.843 1.00 0.00 C ATOM 728 C ILE A 275 5.330 -6.583 -1.533 1.00 0.00 C ATOM 729 O ILE A 275 5.369 -7.281 -2.538 1.00 0.00 O ATOM 730 CB ILE A 275 7.205 -7.340 -0.032 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.241 -7.735 1.095 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.577 -6.985 0.532 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.707 -8.918 1.918 1.00 0.00 C ATOM 0 H ILE A 275 6.800 -5.079 0.953 1.00 0.00 H new ATOM 0 HA ILE A 275 7.348 -5.867 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 275 7.314 -8.196 -0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 275 6.100 -6.879 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.268 -7.967 0.662 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.966 -7.829 1.101 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.258 -6.754 -0.287 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.488 -6.117 1.186 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.972 -9.134 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 275 6.820 -9.789 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.665 -8.684 2.382 1.00 0.00 H new ATOM 744 N TYR A 276 4.177 -6.177 -0.994 1.00 0.00 N ATOM 745 CA TYR A 276 2.892 -6.557 -1.589 1.00 0.00 C ATOM 746 C TYR A 276 2.344 -5.474 -2.533 1.00 0.00 C ATOM 747 O TYR A 276 1.236 -5.616 -3.086 1.00 0.00 O ATOM 748 CB TYR A 276 1.856 -6.846 -0.493 1.00 0.00 C ATOM 749 CG TYR A 276 2.231 -7.968 0.452 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.405 -9.265 -0.012 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.404 -7.730 1.810 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.739 -10.293 0.848 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.737 -8.752 2.677 1.00 0.00 C ATOM 754 CZ TYR A 276 2.903 -10.033 2.191 1.00 0.00 C ATOM 755 OH TYR A 276 3.237 -11.058 3.054 1.00 0.00 O ATOM 0 H TYR A 276 4.106 -5.594 -0.160 1.00 0.00 H new ATOM 0 HA TYR A 276 3.072 -7.458 -2.176 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.699 -5.937 0.088 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.905 -7.090 -0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.277 -9.474 -1.064 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.276 -6.729 2.194 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.871 -11.296 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.867 -8.550 3.730 1.00 0.00 H new ATOM 0 HH TYR A 276 3.316 -10.706 3.965 1.00 0.00 H new ATOM 761 N VAL A 277 3.100 -4.399 -2.740 1.00 0.00 N ATOM 762 CA VAL A 277 2.611 -3.309 -3.571 1.00 0.00 C ATOM 763 C VAL A 277 3.568 -2.966 -4.711 1.00 0.00 C ATOM 764 O VAL A 277 4.721 -3.397 -4.734 1.00 0.00 O ATOM 765 CB VAL A 277 2.319 -2.023 -2.745 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.324 -2.306 -1.633 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.602 -1.432 -2.180 1.00 0.00 C ATOM 0 H VAL A 277 4.033 -4.262 -2.352 1.00 0.00 H new ATOM 0 HA VAL A 277 1.677 -3.673 -3.999 1.00 0.00 H new ATOM 0 HB VAL A 277 1.877 -1.289 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.137 -1.391 -1.071 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.389 -2.665 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.731 -3.066 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.368 -0.534 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.083 -2.162 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.275 -1.175 -2.998 1.00 0.00 H new ATOM 777 N ASP A 278 3.061 -2.192 -5.646 1.00 0.00 N ATOM 778 CA ASP A 278 3.806 -1.729 -6.805 1.00 0.00 C ATOM 779 C ASP A 278 3.672 -0.216 -6.913 1.00 0.00 C ATOM 780 O ASP A 278 2.559 0.304 -7.019 1.00 0.00 O ATOM 781 CB ASP A 278 3.261 -2.408 -8.071 1.00 0.00 C ATOM 782 CG ASP A 278 3.747 -1.777 -9.358 1.00 0.00 C ATOM 783 OD1 ASP A 278 4.965 -1.806 -9.622 1.00 0.00 O ATOM 784 OD2 ASP A 278 2.905 -1.262 -10.124 1.00 0.00 O ATOM 0 H ASP A 278 2.098 -1.857 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 278 4.860 -1.986 -6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 278 3.549 -3.459 -8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 278 2.172 -2.375 -8.050 1.00 0.00 H new ATOM 787 N VAL A 279 4.794 0.489 -6.857 1.00 0.00 N ATOM 788 CA VAL A 279 4.775 1.949 -6.911 1.00 0.00 C ATOM 789 C VAL A 279 4.389 2.448 -8.299 1.00 0.00 C ATOM 790 O VAL A 279 4.947 2.011 -9.311 1.00 0.00 O ATOM 791 CB VAL A 279 6.128 2.578 -6.475 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.382 2.320 -4.999 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.282 2.045 -7.312 1.00 0.00 C ATOM 0 H VAL A 279 5.724 0.079 -6.775 1.00 0.00 H new ATOM 0 HA VAL A 279 4.016 2.271 -6.197 1.00 0.00 H new ATOM 0 HB VAL A 279 6.064 3.654 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.333 2.767 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 279 5.579 2.762 -4.409 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.416 1.246 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.214 2.505 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 279 7.349 0.964 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.111 2.285 -8.362 1.00 0.00 H new ATOM 803 N ILE A 280 3.429 3.355 -8.344 1.00 0.00 N ATOM 804 CA ILE A 280 2.946 3.882 -9.609 1.00 0.00 C ATOM 805 C ILE A 280 2.967 5.404 -9.608 1.00 0.00 C ATOM 806 O ILE A 280 3.367 6.033 -8.619 1.00 0.00 O ATOM 807 CB ILE A 280 1.500 3.387 -9.955 1.00 0.00 C ATOM 808 CG1 ILE A 280 0.413 4.095 -9.103 1.00 0.00 C ATOM 809 CG2 ILE A 280 1.395 1.876 -9.812 1.00 0.00 C ATOM 810 CD1 ILE A 280 0.407 3.727 -7.636 1.00 0.00 C ATOM 0 H ILE A 280 2.969 3.742 -7.520 1.00 0.00 H new ATOM 0 HA ILE A 280 3.624 3.504 -10.374 1.00 0.00 H new ATOM 0 HB ILE A 280 1.315 3.653 -10.996 1.00 0.00 H new ATOM 0 HG12 ILE A 280 0.550 5.173 -9.191 1.00 0.00 H new ATOM 0 HG13 ILE A 280 -0.565 3.862 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 280 0.382 1.557 -10.057 1.00 0.00 H new ATOM 0 HG22 ILE A 280 2.101 1.396 -10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 280 1.627 1.591 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -0.387 4.273 -7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 280 0.236 2.656 -7.530 1.00 0.00 H new ATOM 0 HD13 ILE A 280 1.368 3.987 -7.192 1.00 0.00 H new