USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=17 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 229 HIS : no HD1:sc= 0.591 K(o=1.6,f=-1.3) USER MOD Set 1.2: A 230 THR OG1 : rot 67:sc= 1 USER MOD Single : A 233 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 235 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 THR OG1 : rot 180:sc= -0.0338 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 LYS NZ :NH3+ 165:sc= -0.0339 (180deg=-0.317) USER MOD Single : A 245 LYS NZ :NH3+ -172:sc=-0.00583 (180deg=-0.139) USER MOD Single : A 246 LYS NZ :NH3+ -151:sc= 1.29 (180deg=0.937) USER MOD Single : A 254 CYS SG : rot 180:sc= -0.522 USER MOD Single : A 255 LYS NZ :NH3+ 162:sc= -0.0246 (180deg=-0.254) USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 260 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl 162:sc= -0.1 (180deg=-0.522) USER MOD Single : A 266 ASN : amide:sc= -0.254 K(o=-0.25,f=-1) USER MOD Single : A 267 ASN : amide:sc= -0.0029 K(o=-0.0029,f=-0.89) USER MOD Single : A 268 LYS NZ :NH3+ 153:sc= 0.354 (180deg=-0.379) USER MOD Single : A 271 ASN : amide:sc= -1.41! C(o=-1.4!,f=-12!) USER MOD Single : A 273 LYS NZ :NH3+ -167:sc= -0.0194 (180deg=-0.174) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 3.786 9.510 -4.256 1.00 0.00 N ATOM 49 CA GLY A 224 3.702 8.887 -2.959 1.00 0.00 C ATOM 50 C GLY A 224 2.493 7.995 -2.829 1.00 0.00 C ATOM 51 O GLY A 224 1.664 8.195 -1.949 1.00 0.00 O ATOM 0 HA2 GLY A 224 4.604 8.301 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 224 3.666 9.658 -2.190 1.00 0.00 H new ATOM 55 N ARG A 225 2.385 7.021 -3.717 1.00 0.00 N ATOM 56 CA ARG A 225 1.295 6.060 -3.680 1.00 0.00 C ATOM 57 C ARG A 225 1.667 4.800 -4.447 1.00 0.00 C ATOM 58 O ARG A 225 2.476 4.843 -5.381 1.00 0.00 O ATOM 59 CB ARG A 225 -0.008 6.667 -4.210 1.00 0.00 C ATOM 60 CG ARG A 225 0.075 7.227 -5.617 1.00 0.00 C ATOM 61 CD ARG A 225 -1.218 7.922 -5.989 1.00 0.00 C ATOM 62 NE ARG A 225 -1.156 8.545 -7.304 1.00 0.00 N ATOM 63 CZ ARG A 225 -1.946 9.546 -7.692 1.00 0.00 C ATOM 64 NH1 ARG A 225 -2.849 10.042 -6.853 1.00 0.00 N ATOM 65 NH2 ARG A 225 -1.828 10.056 -8.916 1.00 0.00 N ATOM 0 H ARG A 225 3.046 6.874 -4.480 1.00 0.00 H new ATOM 0 HA ARG A 225 1.124 5.788 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 225 -0.785 5.903 -4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 225 -0.322 7.464 -3.535 1.00 0.00 H new ATOM 0 HG2 ARG A 225 0.905 7.930 -5.687 1.00 0.00 H new ATOM 0 HG3 ARG A 225 0.278 6.422 -6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -2.034 7.199 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.447 8.681 -5.241 1.00 0.00 H new ATOM 0 HE ARG A 225 -0.466 8.194 -7.968 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.937 9.657 -5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -3.454 10.808 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -1.132 9.681 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -2.434 10.822 -9.210 1.00 0.00 H new ATOM 68 N ALA A 226 1.091 3.689 -4.052 1.00 0.00 N ATOM 69 CA ALA A 226 1.416 2.412 -4.649 1.00 0.00 C ATOM 70 C ALA A 226 0.170 1.578 -4.902 1.00 0.00 C ATOM 71 O ALA A 226 -0.818 1.683 -4.178 1.00 0.00 O ATOM 72 CB ALA A 226 2.387 1.655 -3.760 1.00 0.00 C ATOM 0 H ALA A 226 0.389 3.643 -3.314 1.00 0.00 H new ATOM 0 HA ALA A 226 1.886 2.603 -5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.626 0.695 -4.217 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.301 2.237 -3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.932 1.489 -2.783 1.00 0.00 H new ATOM 78 N ARG A 227 0.221 0.762 -5.938 1.00 0.00 N ATOM 79 CA ARG A 227 -0.888 -0.113 -6.273 1.00 0.00 C ATOM 80 C ARG A 227 -0.615 -1.493 -5.711 1.00 0.00 C ATOM 81 O ARG A 227 0.443 -2.078 -5.963 1.00 0.00 O ATOM 82 CB ARG A 227 -1.093 -0.183 -7.787 1.00 0.00 C ATOM 83 CG ARG A 227 -2.296 -1.019 -8.214 1.00 0.00 C ATOM 84 CD ARG A 227 -2.516 -0.939 -9.716 1.00 0.00 C ATOM 85 NE ARG A 227 -3.666 -1.735 -10.157 1.00 0.00 N ATOM 86 CZ ARG A 227 -3.962 -1.976 -11.436 1.00 0.00 C ATOM 87 NH1 ARG A 227 -3.228 -1.441 -12.402 1.00 0.00 N ATOM 88 NH2 ARG A 227 -5.000 -2.743 -11.748 1.00 0.00 N ATOM 0 H ARG A 227 1.022 0.686 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.802 0.287 -5.835 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.211 0.829 -8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.195 -0.597 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.143 -2.058 -7.921 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.188 -0.670 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.667 0.102 -10.003 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -1.620 -1.285 -10.230 1.00 0.00 H new ATOM 0 HE ARG A 227 -4.278 -2.129 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -2.435 -0.844 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -3.456 -1.627 -13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -5.574 -3.150 -11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -5.224 -2.925 -12.726 1.00 0.00 H new ATOM 91 N VAL A 228 -1.543 -2.006 -4.932 1.00 0.00 N ATOM 92 CA VAL A 228 -1.353 -3.299 -4.309 1.00 0.00 C ATOM 93 C VAL A 228 -1.689 -4.453 -5.271 1.00 0.00 C ATOM 94 O VAL A 228 -2.839 -4.638 -5.670 1.00 0.00 O ATOM 95 CB VAL A 228 -2.182 -3.411 -2.998 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.644 -3.061 -3.232 1.00 0.00 C ATOM 97 CG2 VAL A 228 -2.050 -4.786 -2.383 1.00 0.00 C ATOM 0 H VAL A 228 -2.430 -1.552 -4.716 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.296 -3.385 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.775 -2.686 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.194 -3.150 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.719 -2.038 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.068 -3.744 -3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.641 -4.834 -1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.411 -5.536 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -1.003 -4.981 -2.150 1.00 0.00 H new ATOM 107 N HIS A 229 -0.655 -5.199 -5.668 1.00 0.00 N ATOM 108 CA HIS A 229 -0.838 -6.363 -6.546 1.00 0.00 C ATOM 109 C HIS A 229 -1.080 -7.650 -5.767 1.00 0.00 C ATOM 110 O HIS A 229 -1.563 -8.637 -6.323 1.00 0.00 O ATOM 111 CB HIS A 229 0.349 -6.537 -7.515 1.00 0.00 C ATOM 112 CG HIS A 229 1.702 -6.613 -6.861 1.00 0.00 C ATOM 113 ND1 HIS A 229 2.222 -7.768 -6.318 1.00 0.00 N ATOM 114 CD2 HIS A 229 2.655 -5.668 -6.698 1.00 0.00 C ATOM 115 CE1 HIS A 229 3.432 -7.525 -5.853 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.717 -6.260 -6.069 1.00 0.00 N ATOM 0 H HIS A 229 0.313 -5.021 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 229 -1.735 -6.161 -7.132 1.00 0.00 H new ATOM 0 HB2 HIS A 229 0.193 -7.445 -8.097 1.00 0.00 H new ATOM 0 HB3 HIS A 229 0.349 -5.704 -8.218 1.00 0.00 H new ATOM 0 HD2 HIS A 229 2.590 -4.635 -7.007 1.00 0.00 H new ATOM 0 HE1 HIS A 229 4.080 -8.245 -5.375 1.00 0.00 H new ATOM 0 HE2 HIS A 229 4.587 -5.795 -5.810 1.00 0.00 H new ATOM 121 N THR A 230 -0.749 -7.644 -4.501 1.00 0.00 N ATOM 122 CA THR A 230 -0.955 -8.810 -3.667 1.00 0.00 C ATOM 123 C THR A 230 -1.685 -8.413 -2.399 1.00 0.00 C ATOM 124 O THR A 230 -1.223 -7.556 -1.656 1.00 0.00 O ATOM 125 CB THR A 230 0.379 -9.495 -3.311 1.00 0.00 C ATOM 126 OG1 THR A 230 1.097 -9.813 -4.517 1.00 0.00 O ATOM 127 CG2 THR A 230 0.137 -10.776 -2.523 1.00 0.00 C ATOM 0 H THR A 230 -0.335 -6.845 -4.021 1.00 0.00 H new ATOM 0 HA THR A 230 -1.558 -9.523 -4.230 1.00 0.00 H new ATOM 0 HB THR A 230 0.963 -8.809 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.378 -8.984 -4.959 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.093 -11.242 -2.283 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.394 -10.541 -1.600 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.462 -11.463 -3.121 1.00 0.00 H new ATOM 134 N ASP A 231 -2.817 -9.034 -2.159 1.00 0.00 N ATOM 135 CA ASP A 231 -3.624 -8.695 -1.003 1.00 0.00 C ATOM 136 C ASP A 231 -3.041 -9.300 0.258 1.00 0.00 C ATOM 137 O ASP A 231 -2.257 -10.251 0.196 1.00 0.00 O ATOM 138 CB ASP A 231 -5.084 -9.133 -1.186 1.00 0.00 C ATOM 139 CG ASP A 231 -5.262 -10.636 -1.245 1.00 0.00 C ATOM 140 OD1 ASP A 231 -5.360 -11.270 -0.176 1.00 0.00 O ATOM 141 OD2 ASP A 231 -5.332 -11.187 -2.361 1.00 0.00 O ATOM 0 H ASP A 231 -3.201 -9.775 -2.745 1.00 0.00 H new ATOM 0 HA ASP A 231 -3.613 -7.610 -0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.680 -8.737 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.475 -8.693 -2.103 1.00 0.00 H new ATOM 144 N PHE A 232 -3.463 -8.767 1.391 1.00 0.00 N ATOM 145 CA PHE A 232 -2.957 -9.221 2.680 1.00 0.00 C ATOM 146 C PHE A 232 -3.573 -8.479 3.848 1.00 0.00 C ATOM 147 O PHE A 232 -3.226 -7.334 4.133 1.00 0.00 O ATOM 148 CB PHE A 232 -1.419 -9.092 2.739 1.00 0.00 C ATOM 149 CG PHE A 232 -0.818 -9.443 4.077 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.855 -10.743 4.554 1.00 0.00 C ATOM 151 CD2 PHE A 232 -0.215 -8.465 4.855 1.00 0.00 C ATOM 152 CE1 PHE A 232 -0.302 -11.062 5.781 1.00 0.00 C ATOM 153 CE2 PHE A 232 0.339 -8.776 6.080 1.00 0.00 C ATOM 154 CZ PHE A 232 0.296 -10.077 6.545 1.00 0.00 C ATOM 0 H PHE A 232 -4.155 -8.019 1.448 1.00 0.00 H new ATOM 0 HA PHE A 232 -3.243 -10.269 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.982 -9.738 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.142 -8.068 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -1.321 -11.516 3.961 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -0.179 -7.447 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 232 -0.337 -12.079 6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 232 0.805 -8.004 6.674 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.729 -10.324 7.503 1.00 0.00 H new ATOM 160 N THR A 233 -4.515 -9.111 4.493 1.00 0.00 N ATOM 161 CA THR A 233 -5.004 -8.635 5.752 1.00 0.00 C ATOM 162 C THR A 233 -4.412 -9.513 6.844 1.00 0.00 C ATOM 163 O THR A 233 -4.230 -10.717 6.632 1.00 0.00 O ATOM 164 CB THR A 233 -6.563 -8.686 5.815 1.00 0.00 C ATOM 165 OG1 THR A 233 -7.037 -8.122 7.048 1.00 0.00 O ATOM 166 CG2 THR A 233 -7.076 -10.117 5.690 1.00 0.00 C ATOM 0 H THR A 233 -4.961 -9.966 4.161 1.00 0.00 H new ATOM 0 HA THR A 233 -4.708 -7.594 5.886 1.00 0.00 H new ATOM 0 HB THR A 233 -6.942 -8.102 4.976 1.00 0.00 H new ATOM 0 HG1 THR A 233 -8.016 -8.160 7.070 1.00 0.00 H new ATOM 0 HG21 THR A 233 -8.165 -10.119 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 233 -6.754 -10.537 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 233 -6.676 -10.719 6.506 1.00 0.00 H new ATOM 173 N PRO A 234 -4.049 -8.938 7.998 1.00 0.00 N ATOM 174 CA PRO A 234 -3.518 -9.718 9.110 1.00 0.00 C ATOM 175 C PRO A 234 -4.506 -10.810 9.519 1.00 0.00 C ATOM 176 O PRO A 234 -4.261 -12.000 9.323 1.00 0.00 O ATOM 177 CB PRO A 234 -3.340 -8.681 10.239 1.00 0.00 C ATOM 178 CG PRO A 234 -4.121 -7.482 9.802 1.00 0.00 C ATOM 179 CD PRO A 234 -4.113 -7.503 8.304 1.00 0.00 C ATOM 0 HA PRO A 234 -2.588 -10.230 8.864 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -3.710 -9.067 11.189 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -2.288 -8.434 10.384 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -5.140 -7.520 10.187 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -3.671 -6.565 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.008 -7.041 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -3.258 -6.964 7.897 1.00 0.00 H new ATOM 187 N SER A 235 -5.605 -10.397 10.102 1.00 0.00 N ATOM 188 CA SER A 235 -6.672 -11.296 10.455 1.00 0.00 C ATOM 189 C SER A 235 -8.011 -10.584 10.255 1.00 0.00 C ATOM 190 O SER A 235 -8.054 -9.353 10.256 1.00 0.00 O ATOM 191 CB SER A 235 -6.506 -11.759 11.897 1.00 0.00 C ATOM 192 OG SER A 235 -5.213 -12.302 12.102 1.00 0.00 O ATOM 0 H SER A 235 -5.783 -9.423 10.345 1.00 0.00 H new ATOM 0 HA SER A 235 -6.644 -12.178 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 235 -6.665 -10.920 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 235 -7.262 -12.508 12.133 1.00 0.00 H new ATOM 0 HG SER A 235 -5.124 -12.593 13.034 1.00 0.00 H new ATOM 198 N PRO A 236 -9.115 -11.330 10.055 1.00 0.00 N ATOM 199 CA PRO A 236 -10.451 -10.730 9.907 1.00 0.00 C ATOM 200 C PRO A 236 -10.831 -9.902 11.138 1.00 0.00 C ATOM 201 O PRO A 236 -11.369 -8.804 11.025 1.00 0.00 O ATOM 202 CB PRO A 236 -11.379 -11.948 9.784 1.00 0.00 C ATOM 203 CG PRO A 236 -10.497 -13.052 9.311 1.00 0.00 C ATOM 204 CD PRO A 236 -9.151 -12.798 9.925 1.00 0.00 C ATOM 0 HA PRO A 236 -10.508 -10.050 9.057 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -11.840 -12.192 10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -12.189 -11.759 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -10.888 -14.022 9.617 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -10.434 -13.062 8.223 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -9.049 -13.291 10.892 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -8.343 -13.167 9.293 1.00 0.00 H new ATOM 212 N TYR A 237 -10.533 -10.448 12.305 1.00 0.00 N ATOM 213 CA TYR A 237 -10.811 -9.786 13.582 1.00 0.00 C ATOM 214 C TYR A 237 -9.614 -8.961 14.063 1.00 0.00 C ATOM 215 O TYR A 237 -9.466 -8.694 15.255 1.00 0.00 O ATOM 216 CB TYR A 237 -11.232 -10.808 14.634 1.00 0.00 C ATOM 217 CG TYR A 237 -12.565 -11.456 14.330 1.00 0.00 C ATOM 218 CD1 TYR A 237 -13.755 -10.838 14.689 1.00 0.00 C ATOM 219 CD2 TYR A 237 -12.633 -12.679 13.674 1.00 0.00 C ATOM 220 CE1 TYR A 237 -14.976 -11.420 14.406 1.00 0.00 C ATOM 221 CE2 TYR A 237 -13.850 -13.264 13.384 1.00 0.00 C ATOM 222 CZ TYR A 237 -15.018 -12.632 13.753 1.00 0.00 C ATOM 223 OH TYR A 237 -16.236 -13.210 13.458 1.00 0.00 O ATOM 0 H TYR A 237 -10.091 -11.362 12.401 1.00 0.00 H new ATOM 0 HA TYR A 237 -11.638 -9.093 13.425 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -10.467 -11.581 14.708 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -11.286 -10.319 15.607 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -13.726 -9.886 15.198 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -11.720 -13.180 13.387 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -15.892 -10.927 14.695 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -13.886 -14.213 12.870 1.00 0.00 H new ATOM 0 HH TYR A 237 -16.090 -14.062 12.995 1.00 0.00 H new ATOM 229 N ASP A 238 -8.788 -8.533 13.125 1.00 0.00 N ATOM 230 CA ASP A 238 -7.603 -7.752 13.453 1.00 0.00 C ATOM 231 C ASP A 238 -7.542 -6.511 12.592 1.00 0.00 C ATOM 232 O ASP A 238 -7.855 -6.552 11.401 1.00 0.00 O ATOM 233 CB ASP A 238 -6.324 -8.569 13.277 1.00 0.00 C ATOM 234 CG ASP A 238 -5.098 -7.835 13.786 1.00 0.00 C ATOM 235 OD1 ASP A 238 -4.553 -6.986 13.060 1.00 0.00 O ATOM 236 OD2 ASP A 238 -4.681 -8.107 14.933 1.00 0.00 O ATOM 0 H ASP A 238 -8.914 -8.712 12.129 1.00 0.00 H new ATOM 0 HA ASP A 238 -7.677 -7.464 14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -6.424 -9.516 13.808 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -6.190 -8.808 12.222 1.00 0.00 H new ATOM 239 N THR A 239 -7.152 -5.410 13.190 1.00 0.00 N ATOM 240 CA THR A 239 -7.057 -4.159 12.479 1.00 0.00 C ATOM 241 C THR A 239 -5.839 -3.368 12.972 1.00 0.00 C ATOM 242 O THR A 239 -5.792 -2.146 12.859 1.00 0.00 O ATOM 243 CB THR A 239 -8.346 -3.320 12.684 1.00 0.00 C ATOM 244 OG1 THR A 239 -9.489 -4.188 12.654 1.00 0.00 O ATOM 245 CG2 THR A 239 -8.500 -2.274 11.584 1.00 0.00 C ATOM 0 H THR A 239 -6.894 -5.357 14.175 1.00 0.00 H new ATOM 0 HA THR A 239 -6.942 -4.371 11.416 1.00 0.00 H new ATOM 0 HB THR A 239 -8.273 -2.814 13.646 1.00 0.00 H new ATOM 0 HG1 THR A 239 -10.304 -3.660 12.785 1.00 0.00 H new ATOM 0 HG21 THR A 239 -9.411 -1.700 11.752 1.00 0.00 H new ATOM 0 HG22 THR A 239 -7.641 -1.603 11.597 1.00 0.00 H new ATOM 0 HG23 THR A 239 -8.557 -2.770 10.615 1.00 0.00 H new ATOM 252 N ASP A 240 -4.835 -4.083 13.488 1.00 0.00 N ATOM 253 CA ASP A 240 -3.621 -3.436 14.017 1.00 0.00 C ATOM 254 C ASP A 240 -2.735 -2.943 12.881 1.00 0.00 C ATOM 255 O ASP A 240 -1.858 -2.094 13.066 1.00 0.00 O ATOM 256 CB ASP A 240 -2.839 -4.394 14.921 1.00 0.00 C ATOM 257 CG ASP A 240 -1.642 -3.728 15.582 1.00 0.00 C ATOM 258 OD1 ASP A 240 -1.846 -2.804 16.399 1.00 0.00 O ATOM 259 OD2 ASP A 240 -0.493 -4.136 15.301 1.00 0.00 O ATOM 0 H ASP A 240 -4.834 -5.101 13.553 1.00 0.00 H new ATOM 0 HA ASP A 240 -3.932 -2.578 14.613 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -3.504 -4.785 15.691 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -2.497 -5.246 14.333 1.00 0.00 H new ATOM 262 N SER A 241 -2.981 -3.469 11.706 1.00 0.00 N ATOM 263 CA SER A 241 -2.244 -3.089 10.526 1.00 0.00 C ATOM 264 C SER A 241 -3.194 -2.452 9.515 1.00 0.00 C ATOM 265 O SER A 241 -4.336 -2.101 9.856 1.00 0.00 O ATOM 266 CB SER A 241 -1.560 -4.319 9.923 1.00 0.00 C ATOM 267 OG SER A 241 -0.730 -4.955 10.884 1.00 0.00 O ATOM 0 H SER A 241 -3.699 -4.174 11.541 1.00 0.00 H new ATOM 0 HA SER A 241 -1.476 -2.363 10.792 1.00 0.00 H new ATOM 0 HB2 SER A 241 -2.313 -5.021 9.565 1.00 0.00 H new ATOM 0 HB3 SER A 241 -0.964 -4.023 9.060 1.00 0.00 H new ATOM 0 HG SER A 241 -0.303 -5.739 10.480 1.00 0.00 H new ATOM 273 N LEU A 242 -2.737 -2.291 8.292 1.00 0.00 N ATOM 274 CA LEU A 242 -3.566 -1.744 7.247 1.00 0.00 C ATOM 275 C LEU A 242 -4.105 -2.884 6.404 1.00 0.00 C ATOM 276 O LEU A 242 -3.353 -3.769 5.996 1.00 0.00 O ATOM 277 CB LEU A 242 -2.757 -0.775 6.378 1.00 0.00 C ATOM 278 CG LEU A 242 -3.534 -0.025 5.298 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.599 0.857 5.926 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.586 0.804 4.446 1.00 0.00 C ATOM 0 H LEU A 242 -1.791 -2.533 7.999 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.395 -1.191 7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.285 -0.041 7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -1.955 -1.335 5.896 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.028 -0.753 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.143 1.384 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.292 0.240 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.127 1.581 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.153 1.333 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.067 1.526 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.857 0.148 3.969 1.00 0.00 H new ATOM 292 N LYS A 243 -5.394 -2.878 6.162 1.00 0.00 N ATOM 293 CA LYS A 243 -6.015 -3.932 5.394 1.00 0.00 C ATOM 294 C LYS A 243 -5.875 -3.628 3.908 1.00 0.00 C ATOM 295 O LYS A 243 -6.652 -2.850 3.346 1.00 0.00 O ATOM 296 CB LYS A 243 -7.497 -4.075 5.808 1.00 0.00 C ATOM 297 CG LYS A 243 -8.180 -5.372 5.366 1.00 0.00 C ATOM 298 CD LYS A 243 -8.593 -5.341 3.903 1.00 0.00 C ATOM 299 CE LYS A 243 -9.332 -6.611 3.508 1.00 0.00 C ATOM 300 NZ LYS A 243 -10.573 -6.807 4.302 1.00 0.00 N ATOM 0 H LYS A 243 -6.035 -2.154 6.486 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.519 -4.882 5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.562 -4.002 6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.054 -3.233 5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -7.503 -6.210 5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -9.060 -5.545 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -9.231 -4.476 3.722 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -7.709 -5.223 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -9.583 -6.569 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -8.675 -7.470 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -11.169 -7.525 3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -10.325 -7.125 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -11.094 -5.909 4.359 1.00 0.00 H new ATOM 303 N ILE A 244 -4.858 -4.207 3.284 1.00 0.00 N ATOM 304 CA ILE A 244 -4.634 -3.998 1.869 1.00 0.00 C ATOM 305 C ILE A 244 -5.364 -5.046 1.045 1.00 0.00 C ATOM 306 O ILE A 244 -5.418 -6.230 1.412 1.00 0.00 O ATOM 307 CB ILE A 244 -3.129 -3.965 1.492 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.436 -5.282 1.852 1.00 0.00 C ATOM 309 CG2 ILE A 244 -2.438 -2.789 2.177 1.00 0.00 C ATOM 310 CD1 ILE A 244 -0.996 -5.352 1.391 1.00 0.00 C ATOM 0 H ILE A 244 -4.181 -4.821 3.737 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.040 -3.013 1.636 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.054 -3.836 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.470 -5.418 2.933 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -2.992 -6.109 1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.383 -2.778 1.904 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -2.905 -1.857 1.859 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -2.532 -2.891 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.568 -6.312 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -0.956 -5.248 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.426 -4.546 1.854 1.00 0.00 H new ATOM 321 N LYS A 245 -5.932 -4.611 -0.056 1.00 0.00 N ATOM 322 CA LYS A 245 -6.712 -5.477 -0.908 1.00 0.00 C ATOM 323 C LYS A 245 -6.339 -5.243 -2.362 1.00 0.00 C ATOM 324 O LYS A 245 -6.688 -4.211 -2.929 1.00 0.00 O ATOM 325 CB LYS A 245 -8.218 -5.213 -0.659 1.00 0.00 C ATOM 326 CG LYS A 245 -9.195 -6.149 -1.387 1.00 0.00 C ATOM 327 CD LYS A 245 -9.483 -5.706 -2.825 1.00 0.00 C ATOM 328 CE LYS A 245 -10.094 -4.304 -2.885 1.00 0.00 C ATOM 329 NZ LYS A 245 -11.337 -4.192 -2.076 1.00 0.00 N ATOM 0 H LYS A 245 -5.866 -3.648 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.502 -6.521 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.407 -5.285 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.440 -4.187 -0.954 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -8.784 -7.158 -1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -10.131 -6.193 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -8.558 -5.723 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -10.163 -6.417 -3.294 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -9.365 -3.577 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -10.315 -4.051 -3.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -11.786 -3.271 -2.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -11.993 -4.954 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -11.102 -4.272 -1.066 1.00 0.00 H new ATOM 332 N LYS A 246 -5.539 -6.175 -2.917 1.00 0.00 N ATOM 333 CA LYS A 246 -5.117 -6.160 -4.337 1.00 0.00 C ATOM 334 C LYS A 246 -6.130 -5.483 -5.261 1.00 0.00 C ATOM 335 O LYS A 246 -7.325 -5.785 -5.232 1.00 0.00 O ATOM 336 CB LYS A 246 -4.831 -7.587 -4.834 1.00 0.00 C ATOM 337 CG LYS A 246 -6.047 -8.504 -4.845 1.00 0.00 C ATOM 338 CD LYS A 246 -5.710 -9.867 -5.419 1.00 0.00 C ATOM 339 CE LYS A 246 -6.911 -10.797 -5.408 1.00 0.00 C ATOM 340 NZ LYS A 246 -7.419 -11.036 -4.034 1.00 0.00 N ATOM 0 H LYS A 246 -5.164 -6.965 -2.392 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.204 -5.566 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -4.423 -7.532 -5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -4.062 -8.031 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -6.426 -8.619 -3.830 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -6.843 -8.047 -5.433 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -5.349 -9.752 -6.441 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -4.899 -10.313 -4.843 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -7.706 -10.369 -6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -6.636 -11.749 -5.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -7.860 -11.977 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -6.629 -10.989 -3.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -8.124 -10.310 -3.793 1.00 0.00 H new ATOM 343 N GLY A 247 -5.639 -4.578 -6.084 1.00 0.00 N ATOM 344 CA GLY A 247 -6.505 -3.865 -6.989 1.00 0.00 C ATOM 345 C GLY A 247 -6.902 -2.499 -6.468 1.00 0.00 C ATOM 346 O GLY A 247 -7.806 -1.868 -7.011 1.00 0.00 O ATOM 0 H GLY A 247 -4.653 -4.323 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -6.004 -3.751 -7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -7.403 -4.456 -7.167 1.00 0.00 H new ATOM 350 N ASP A 248 -6.230 -2.038 -5.425 1.00 0.00 N ATOM 351 CA ASP A 248 -6.523 -0.725 -4.851 1.00 0.00 C ATOM 352 C ASP A 248 -5.245 0.125 -4.817 1.00 0.00 C ATOM 353 O ASP A 248 -4.140 -0.380 -5.096 1.00 0.00 O ATOM 354 CB ASP A 248 -7.107 -0.874 -3.431 1.00 0.00 C ATOM 355 CG ASP A 248 -8.075 0.251 -3.050 1.00 0.00 C ATOM 356 OD1 ASP A 248 -7.722 1.439 -3.211 1.00 0.00 O ATOM 357 OD2 ASP A 248 -9.197 -0.057 -2.573 1.00 0.00 O ATOM 0 H ASP A 248 -5.480 -2.547 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.264 -0.226 -5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -7.626 -1.830 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.289 -0.899 -2.711 1.00 0.00 H new ATOM 360 N ILE A 249 -5.391 1.391 -4.460 1.00 0.00 N ATOM 361 CA ILE A 249 -4.278 2.332 -4.428 1.00 0.00 C ATOM 362 C ILE A 249 -4.021 2.806 -3.000 1.00 0.00 C ATOM 363 O ILE A 249 -4.908 3.363 -2.351 1.00 0.00 O ATOM 364 CB ILE A 249 -4.560 3.574 -5.324 1.00 0.00 C ATOM 365 CG1 ILE A 249 -4.860 3.155 -6.772 1.00 0.00 C ATOM 366 CG2 ILE A 249 -3.387 4.550 -5.281 1.00 0.00 C ATOM 367 CD1 ILE A 249 -3.711 2.447 -7.464 1.00 0.00 C ATOM 0 H ILE A 249 -6.285 1.798 -4.184 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.401 1.809 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.442 4.078 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.731 2.500 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.125 4.042 -7.348 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.606 5.410 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.230 4.885 -4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.487 4.053 -5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -4.004 2.185 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -2.843 3.106 -7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.458 1.540 -6.914 1.00 0.00 H new ATOM 378 N ILE A 250 -2.814 2.586 -2.519 1.00 0.00 N ATOM 379 CA ILE A 250 -2.438 2.997 -1.178 1.00 0.00 C ATOM 380 C ILE A 250 -1.608 4.266 -1.236 1.00 0.00 C ATOM 381 O ILE A 250 -0.567 4.303 -1.895 1.00 0.00 O ATOM 382 CB ILE A 250 -1.608 1.907 -0.426 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.376 0.588 -0.318 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.211 2.389 0.963 1.00 0.00 C ATOM 385 CD1 ILE A 250 -2.329 -0.258 -1.565 1.00 0.00 C ATOM 0 H ILE A 250 -2.070 2.121 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.367 3.161 -0.633 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.706 1.730 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -1.971 0.012 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -3.417 0.805 -0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.634 1.613 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.606 3.292 0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.108 2.608 1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.897 -1.174 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -2.762 0.297 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.294 -0.509 -1.796 1.00 0.00 H new ATOM 396 N ASP A 251 -2.076 5.304 -0.569 1.00 0.00 N ATOM 397 CA ASP A 251 -1.327 6.551 -0.489 1.00 0.00 C ATOM 398 C ASP A 251 -0.231 6.372 0.555 1.00 0.00 C ATOM 399 O ASP A 251 -0.399 5.594 1.490 1.00 0.00 O ATOM 400 CB ASP A 251 -2.259 7.717 -0.123 1.00 0.00 C ATOM 401 CG ASP A 251 -1.613 9.081 -0.288 1.00 0.00 C ATOM 402 OD1 ASP A 251 -0.955 9.559 0.654 1.00 0.00 O ATOM 403 OD2 ASP A 251 -1.788 9.696 -1.365 1.00 0.00 O ATOM 0 H ASP A 251 -2.968 5.312 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.881 6.790 -1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -3.152 7.668 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.586 7.601 0.910 1.00 0.00 H new ATOM 406 N ILE A 252 0.871 7.072 0.408 1.00 0.00 N ATOM 407 CA ILE A 252 2.014 6.857 1.289 1.00 0.00 C ATOM 408 C ILE A 252 2.493 8.154 1.931 1.00 0.00 C ATOM 409 O ILE A 252 2.684 9.166 1.251 1.00 0.00 O ATOM 410 CB ILE A 252 3.191 6.195 0.531 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.709 4.942 -0.213 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.307 5.830 1.502 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.746 4.340 -1.135 1.00 0.00 C ATOM 0 H ILE A 252 1.007 7.790 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 252 1.673 6.187 2.078 1.00 0.00 H new ATOM 0 HB ILE A 252 3.578 6.908 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.407 4.191 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.823 5.195 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.128 5.366 0.955 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.666 6.731 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.927 5.132 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.330 3.459 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.031 5.073 -1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.624 4.054 -0.557 1.00 0.00 H new ATOM 424 N ILE A 253 2.693 8.114 3.241 1.00 0.00 N ATOM 425 CA ILE A 253 3.158 9.278 3.988 1.00 0.00 C ATOM 426 C ILE A 253 4.563 9.034 4.573 1.00 0.00 C ATOM 427 O ILE A 253 5.377 9.952 4.674 1.00 0.00 O ATOM 428 CB ILE A 253 2.160 9.657 5.125 1.00 0.00 C ATOM 429 CG1 ILE A 253 2.698 10.827 5.964 1.00 0.00 C ATOM 430 CG2 ILE A 253 1.847 8.452 6.005 1.00 0.00 C ATOM 431 CD1 ILE A 253 1.779 11.243 7.095 1.00 0.00 C ATOM 0 H ILE A 253 2.540 7.283 3.813 1.00 0.00 H new ATOM 0 HA ILE A 253 3.213 10.113 3.289 1.00 0.00 H new ATOM 0 HB ILE A 253 1.230 9.980 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 253 3.667 10.549 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 253 2.865 11.683 5.311 1.00 0.00 H new ATOM 0 HG21 ILE A 253 1.149 8.746 6.789 1.00 0.00 H new ATOM 0 HG22 ILE A 253 1.401 7.664 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 253 2.767 8.083 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 253 2.227 12.073 7.641 1.00 0.00 H new ATOM 0 HD12 ILE A 253 0.817 11.554 6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 253 1.631 10.402 7.772 1.00 0.00 H new ATOM 442 N CYS A 254 4.842 7.790 4.925 1.00 0.00 N ATOM 443 CA CYS A 254 6.133 7.437 5.504 1.00 0.00 C ATOM 444 C CYS A 254 6.698 6.185 4.854 1.00 0.00 C ATOM 445 O CYS A 254 6.075 5.119 4.886 1.00 0.00 O ATOM 446 CB CYS A 254 6.013 7.227 7.012 1.00 0.00 C ATOM 447 SG CYS A 254 5.112 8.533 7.879 1.00 0.00 S ATOM 0 H CYS A 254 4.196 7.008 4.821 1.00 0.00 H new ATOM 0 HA CYS A 254 6.815 8.266 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.514 6.275 7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 254 7.014 7.150 7.437 1.00 0.00 H new ATOM 0 HG CYS A 254 5.065 8.259 9.149 1.00 0.00 H new ATOM 453 N LYS A 255 7.865 6.316 4.258 1.00 0.00 N ATOM 454 CA LYS A 255 8.527 5.194 3.633 1.00 0.00 C ATOM 455 C LYS A 255 9.661 4.714 4.515 1.00 0.00 C ATOM 456 O LYS A 255 10.788 5.198 4.408 1.00 0.00 O ATOM 457 CB LYS A 255 9.067 5.550 2.229 1.00 0.00 C ATOM 458 CG LYS A 255 7.995 5.918 1.203 1.00 0.00 C ATOM 459 CD LYS A 255 7.508 7.355 1.366 1.00 0.00 C ATOM 460 CE LYS A 255 8.549 8.361 0.888 1.00 0.00 C ATOM 461 NZ LYS A 255 8.755 8.285 -0.583 1.00 0.00 N ATOM 0 H LYS A 255 8.376 7.196 4.194 1.00 0.00 H new ATOM 0 HA LYS A 255 7.791 4.400 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.761 6.385 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.638 4.702 1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.395 5.784 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.150 5.237 1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.584 7.492 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 255 7.274 7.543 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 255 8.233 9.368 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 255 9.495 8.176 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 9.219 9.155 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 9.355 7.466 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 7.835 8.181 -1.057 1.00 0.00 H new ATOM 464 N THR A 256 9.353 3.804 5.413 1.00 0.00 N ATOM 465 CA THR A 256 10.350 3.253 6.295 1.00 0.00 C ATOM 466 C THR A 256 11.285 2.328 5.507 1.00 0.00 C ATOM 467 O THR A 256 10.833 1.366 4.889 1.00 0.00 O ATOM 468 CB THR A 256 9.690 2.485 7.455 1.00 0.00 C ATOM 469 OG1 THR A 256 8.756 3.348 8.130 1.00 0.00 O ATOM 470 CG2 THR A 256 10.731 1.996 8.449 1.00 0.00 C ATOM 0 H THR A 256 8.414 3.430 5.549 1.00 0.00 H new ATOM 0 HA THR A 256 10.931 4.072 6.719 1.00 0.00 H new ATOM 0 HB THR A 256 9.172 1.619 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 256 8.334 2.860 8.868 1.00 0.00 H new ATOM 0 HG21 THR A 256 10.237 1.457 9.258 1.00 0.00 H new ATOM 0 HG22 THR A 256 11.432 1.331 7.944 1.00 0.00 H new ATOM 0 HG23 THR A 256 11.272 2.849 8.859 1.00 0.00 H new ATOM 477 N PRO A 257 12.601 2.626 5.513 1.00 0.00 N ATOM 478 CA PRO A 257 13.602 1.874 4.741 1.00 0.00 C ATOM 479 C PRO A 257 13.523 0.361 4.952 1.00 0.00 C ATOM 480 O PRO A 257 13.170 -0.386 4.036 1.00 0.00 O ATOM 481 CB PRO A 257 14.949 2.422 5.249 1.00 0.00 C ATOM 482 CG PRO A 257 14.622 3.233 6.461 1.00 0.00 C ATOM 483 CD PRO A 257 13.219 3.717 6.273 1.00 0.00 C ATOM 0 HA PRO A 257 13.448 2.006 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.635 1.611 5.494 1.00 0.00 H new ATOM 0 HB3 PRO A 257 15.436 3.033 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 257 14.709 2.632 7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 257 15.312 4.070 6.567 1.00 0.00 H new ATOM 0 HD2 PRO A 257 12.716 3.882 7.226 1.00 0.00 H new ATOM 0 HD3 PRO A 257 13.186 4.660 5.728 1.00 0.00 H new ATOM 491 N MET A 258 13.861 -0.085 6.143 1.00 0.00 N ATOM 492 CA MET A 258 13.837 -1.501 6.452 1.00 0.00 C ATOM 493 C MET A 258 12.574 -1.886 7.210 1.00 0.00 C ATOM 494 O MET A 258 12.421 -1.557 8.393 1.00 0.00 O ATOM 495 CB MET A 258 15.083 -1.882 7.263 1.00 0.00 C ATOM 496 CG MET A 258 15.082 -3.315 7.783 1.00 0.00 C ATOM 497 SD MET A 258 15.017 -4.540 6.466 1.00 0.00 S ATOM 498 CE MET A 258 14.992 -6.054 7.425 1.00 0.00 C ATOM 0 H MET A 258 14.156 0.513 6.915 1.00 0.00 H new ATOM 0 HA MET A 258 13.838 -2.051 5.511 1.00 0.00 H new ATOM 0 HB2 MET A 258 15.966 -1.735 6.641 1.00 0.00 H new ATOM 0 HB3 MET A 258 15.173 -1.201 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 258 15.978 -3.479 8.381 1.00 0.00 H new ATOM 0 HG3 MET A 258 14.227 -3.455 8.445 1.00 0.00 H new ATOM 0 HE1 MET A 258 14.952 -6.910 6.752 1.00 0.00 H new ATOM 0 HE2 MET A 258 15.894 -6.113 8.035 1.00 0.00 H new ATOM 0 HE3 MET A 258 14.115 -6.060 8.073 1.00 0.00 H new ATOM 508 N GLY A 259 11.662 -2.557 6.530 1.00 0.00 N ATOM 509 CA GLY A 259 10.474 -3.024 7.192 1.00 0.00 C ATOM 510 C GLY A 259 9.193 -2.703 6.458 1.00 0.00 C ATOM 511 O GLY A 259 9.036 -3.032 5.288 1.00 0.00 O ATOM 0 H GLY A 259 11.725 -2.784 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.544 -4.104 7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.429 -2.584 8.188 1.00 0.00 H new ATOM 515 N MET A 260 8.283 -2.062 7.162 1.00 0.00 N ATOM 516 CA MET A 260 6.966 -1.739 6.634 1.00 0.00 C ATOM 517 C MET A 260 6.837 -0.250 6.343 1.00 0.00 C ATOM 518 O MET A 260 7.560 0.560 6.905 1.00 0.00 O ATOM 519 CB MET A 260 5.902 -2.166 7.644 1.00 0.00 C ATOM 520 CG MET A 260 6.120 -1.569 9.026 1.00 0.00 C ATOM 521 SD MET A 260 5.021 -2.252 10.272 1.00 0.00 S ATOM 522 CE MET A 260 5.656 -1.440 11.737 1.00 0.00 C ATOM 0 H MET A 260 8.433 -1.748 8.121 1.00 0.00 H new ATOM 0 HA MET A 260 6.826 -2.276 5.696 1.00 0.00 H new ATOM 0 HB2 MET A 260 4.920 -1.868 7.277 1.00 0.00 H new ATOM 0 HB3 MET A 260 5.897 -3.253 7.721 1.00 0.00 H new ATOM 0 HG2 MET A 260 7.153 -1.739 9.329 1.00 0.00 H new ATOM 0 HG3 MET A 260 5.976 -0.490 8.976 1.00 0.00 H new ATOM 0 HE1 MET A 260 5.080 -1.756 12.607 1.00 0.00 H new ATOM 0 HE2 MET A 260 6.703 -1.709 11.877 1.00 0.00 H new ATOM 0 HE3 MET A 260 5.572 -0.360 11.620 1.00 0.00 H new ATOM 532 N TRP A 261 5.903 0.099 5.476 1.00 0.00 N ATOM 533 CA TRP A 261 5.659 1.491 5.128 1.00 0.00 C ATOM 534 C TRP A 261 4.379 1.973 5.778 1.00 0.00 C ATOM 535 O TRP A 261 3.502 1.172 6.104 1.00 0.00 O ATOM 536 CB TRP A 261 5.544 1.663 3.608 1.00 0.00 C ATOM 537 CG TRP A 261 6.850 1.642 2.874 1.00 0.00 C ATOM 538 CD1 TRP A 261 8.092 1.460 3.401 1.00 0.00 C ATOM 539 CD2 TRP A 261 7.036 1.822 1.465 1.00 0.00 C ATOM 540 NE1 TRP A 261 9.040 1.517 2.410 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.417 1.737 1.210 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.165 2.047 0.397 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.947 1.867 -0.073 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.688 2.176 -0.875 1.00 0.00 C ATOM 545 CH2 TRP A 261 8.066 2.087 -1.101 1.00 0.00 C ATOM 0 H TRP A 261 5.296 -0.566 4.996 1.00 0.00 H new ATOM 0 HA TRP A 261 6.502 2.080 5.489 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.909 0.870 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 261 5.041 2.608 3.400 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.301 1.295 4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 261 10.046 1.412 2.545 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.100 2.119 0.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 10.010 1.797 -0.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 6.023 2.348 -1.708 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.444 2.194 -2.107 1.00 0.00 H new ATOM 551 N THR A 262 4.280 3.268 5.994 1.00 0.00 N ATOM 552 CA THR A 262 3.074 3.847 6.538 1.00 0.00 C ATOM 553 C THR A 262 2.270 4.520 5.430 1.00 0.00 C ATOM 554 O THR A 262 2.715 5.512 4.822 1.00 0.00 O ATOM 555 CB THR A 262 3.395 4.863 7.638 1.00 0.00 C ATOM 556 OG1 THR A 262 4.374 4.302 8.525 1.00 0.00 O ATOM 557 CG2 THR A 262 2.144 5.215 8.430 1.00 0.00 C ATOM 0 H THR A 262 5.023 3.939 5.800 1.00 0.00 H new ATOM 0 HA THR A 262 2.483 3.043 6.977 1.00 0.00 H new ATOM 0 HB THR A 262 3.781 5.771 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.585 4.949 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.396 5.938 9.206 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.399 5.645 7.761 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.740 4.314 8.891 1.00 0.00 H new ATOM 564 N GLY A 263 1.104 3.980 5.169 1.00 0.00 N ATOM 565 CA GLY A 263 0.260 4.495 4.125 1.00 0.00 C ATOM 566 C GLY A 263 -1.182 4.519 4.542 1.00 0.00 C ATOM 567 O GLY A 263 -1.488 4.326 5.708 1.00 0.00 O ATOM 0 H GLY A 263 0.719 3.179 5.670 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.580 5.503 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.371 3.882 3.231 1.00 0.00 H new ATOM 571 N MET A 264 -2.065 4.735 3.600 1.00 0.00 N ATOM 572 CA MET A 264 -3.483 4.810 3.908 1.00 0.00 C ATOM 573 C MET A 264 -4.336 4.134 2.848 1.00 0.00 C ATOM 574 O MET A 264 -4.124 4.315 1.644 1.00 0.00 O ATOM 575 CB MET A 264 -3.935 6.262 4.132 1.00 0.00 C ATOM 576 CG MET A 264 -3.678 7.185 2.959 1.00 0.00 C ATOM 577 SD MET A 264 -4.270 8.867 3.249 1.00 0.00 S ATOM 578 CE MET A 264 -3.230 9.365 4.624 1.00 0.00 C ATOM 0 H MET A 264 -1.835 4.863 2.615 1.00 0.00 H new ATOM 0 HA MET A 264 -3.630 4.264 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 264 -5.002 6.267 4.356 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.423 6.658 5.009 1.00 0.00 H new ATOM 0 HG2 MET A 264 -2.608 7.212 2.751 1.00 0.00 H new ATOM 0 HG3 MET A 264 -4.165 6.781 2.071 1.00 0.00 H new ATOM 0 HE1 MET A 264 -3.240 10.451 4.713 1.00 0.00 H new ATOM 0 HE2 MET A 264 -3.608 8.922 5.545 1.00 0.00 H new ATOM 0 HE3 MET A 264 -2.209 9.024 4.450 1.00 0.00 H new ATOM 588 N LEU A 265 -5.288 3.344 3.316 1.00 0.00 N ATOM 589 CA LEU A 265 -6.225 2.632 2.464 1.00 0.00 C ATOM 590 C LEU A 265 -7.538 2.483 3.233 1.00 0.00 C ATOM 591 O LEU A 265 -7.521 2.228 4.444 1.00 0.00 O ATOM 592 CB LEU A 265 -5.667 1.237 2.101 1.00 0.00 C ATOM 593 CG LEU A 265 -6.021 0.679 0.702 1.00 0.00 C ATOM 594 CD1 LEU A 265 -5.499 -0.735 0.548 1.00 0.00 C ATOM 595 CD2 LEU A 265 -7.516 0.703 0.451 1.00 0.00 C ATOM 0 H LEU A 265 -5.433 3.177 4.312 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.384 3.185 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.581 1.275 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -6.020 0.526 2.848 1.00 0.00 H new ATOM 0 HG LEU A 265 -5.543 1.324 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -5.757 -1.112 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -4.415 -0.738 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.949 -1.374 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -7.725 0.304 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -8.021 0.094 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -7.879 1.729 0.513 1.00 0.00 H new ATOM 607 N ASN A 266 -8.662 2.657 2.538 1.00 0.00 N ATOM 608 CA ASN A 266 -9.996 2.559 3.147 1.00 0.00 C ATOM 609 C ASN A 266 -10.175 3.642 4.198 1.00 0.00 C ATOM 610 O ASN A 266 -10.851 3.445 5.214 1.00 0.00 O ATOM 611 CB ASN A 266 -10.223 1.167 3.768 1.00 0.00 C ATOM 612 CG ASN A 266 -10.253 0.055 2.735 1.00 0.00 C ATOM 613 OD1 ASN A 266 -10.663 0.259 1.592 1.00 0.00 O ATOM 614 ND2 ASN A 266 -9.817 -1.129 3.127 1.00 0.00 N ATOM 0 H ASN A 266 -8.678 2.869 1.540 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.738 2.702 2.362 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.432 0.964 4.490 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -11.164 1.170 4.318 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -9.813 -1.913 2.474 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.485 -1.259 4.083 1.00 0.00 H new ATOM 621 N ASN A 267 -9.561 4.798 3.926 1.00 0.00 N ATOM 622 CA ASN A 267 -9.632 5.985 4.793 1.00 0.00 C ATOM 623 C ASN A 267 -8.881 5.800 6.108 1.00 0.00 C ATOM 624 O ASN A 267 -9.026 6.609 7.025 1.00 0.00 O ATOM 625 CB ASN A 267 -11.087 6.400 5.065 1.00 0.00 C ATOM 626 CG ASN A 267 -11.805 6.876 3.820 1.00 0.00 C ATOM 627 OD1 ASN A 267 -11.193 7.426 2.905 1.00 0.00 O ATOM 628 ND2 ASN A 267 -13.106 6.670 3.777 1.00 0.00 N ATOM 0 H ASN A 267 -8.994 4.940 3.090 1.00 0.00 H new ATOM 0 HA ASN A 267 -9.137 6.787 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.628 5.554 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -11.100 7.194 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -13.643 6.970 2.964 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -13.576 6.210 4.557 1.00 0.00 H new ATOM 635 N LYS A 268 -8.080 4.752 6.208 1.00 0.00 N ATOM 636 CA LYS A 268 -7.287 4.548 7.406 1.00 0.00 C ATOM 637 C LYS A 268 -5.807 4.582 7.089 1.00 0.00 C ATOM 638 O LYS A 268 -5.357 3.955 6.130 1.00 0.00 O ATOM 639 CB LYS A 268 -7.607 3.219 8.109 1.00 0.00 C ATOM 640 CG LYS A 268 -6.823 3.056 9.413 1.00 0.00 C ATOM 641 CD LYS A 268 -6.637 1.603 9.828 1.00 0.00 C ATOM 642 CE LYS A 268 -5.672 1.510 11.011 1.00 0.00 C ATOM 643 NZ LYS A 268 -5.363 0.109 11.397 1.00 0.00 N ATOM 0 H LYS A 268 -7.963 4.041 5.486 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.547 5.365 8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.675 3.169 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.375 2.390 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.844 3.522 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -7.341 3.590 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.599 1.169 10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -6.252 1.024 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -4.745 2.025 10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -6.103 2.031 11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -4.424 0.071 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -6.080 -0.232 12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -5.368 -0.494 10.549 1.00 0.00 H new ATOM 646 N VAL A 269 -5.059 5.313 7.890 1.00 0.00 N ATOM 647 CA VAL A 269 -3.619 5.336 7.765 1.00 0.00 C ATOM 648 C VAL A 269 -3.034 4.260 8.681 1.00 0.00 C ATOM 649 O VAL A 269 -3.486 4.095 9.815 1.00 0.00 O ATOM 650 CB VAL A 269 -3.030 6.741 8.114 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.390 7.164 9.530 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.521 6.771 7.912 1.00 0.00 C ATOM 0 H VAL A 269 -5.428 5.901 8.637 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.349 5.131 6.729 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.480 7.458 7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -2.963 8.145 9.736 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.474 7.211 9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -2.991 6.439 10.239 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.140 7.761 8.163 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.053 6.028 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.289 6.546 6.871 1.00 0.00 H new ATOM 662 N GLY A 270 -2.081 3.504 8.188 1.00 0.00 N ATOM 663 CA GLY A 270 -1.513 2.446 8.980 1.00 0.00 C ATOM 664 C GLY A 270 -0.241 1.906 8.382 1.00 0.00 C ATOM 665 O GLY A 270 0.408 2.572 7.579 1.00 0.00 O ATOM 0 H GLY A 270 -1.688 3.602 7.252 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.311 2.816 9.985 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.238 1.638 9.077 1.00 0.00 H new ATOM 669 N ASN A 271 0.103 0.697 8.756 1.00 0.00 N ATOM 670 CA ASN A 271 1.324 0.059 8.295 1.00 0.00 C ATOM 671 C ASN A 271 1.016 -1.090 7.341 1.00 0.00 C ATOM 672 O ASN A 271 -0.051 -1.697 7.412 1.00 0.00 O ATOM 673 CB ASN A 271 2.146 -0.449 9.488 1.00 0.00 C ATOM 674 CG ASN A 271 1.381 -1.435 10.371 1.00 0.00 C ATOM 675 OD1 ASN A 271 0.166 -1.341 10.532 1.00 0.00 O ATOM 676 ND2 ASN A 271 2.091 -2.377 10.949 1.00 0.00 N ATOM 0 H ASN A 271 -0.453 0.123 9.389 1.00 0.00 H new ATOM 0 HA ASN A 271 1.909 0.803 7.754 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.052 -0.930 9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.461 0.402 10.093 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.635 -3.060 11.554 1.00 0.00 H new ATOM 0 HD22 ASN A 271 3.098 -2.425 10.793 1.00 0.00 H new ATOM 683 N PHE A 272 1.971 -1.400 6.480 1.00 0.00 N ATOM 684 CA PHE A 272 1.807 -2.453 5.487 1.00 0.00 C ATOM 685 C PHE A 272 3.157 -2.816 4.892 1.00 0.00 C ATOM 686 O PHE A 272 4.084 -2.001 4.896 1.00 0.00 O ATOM 687 CB PHE A 272 0.831 -2.020 4.369 1.00 0.00 C ATOM 688 CG PHE A 272 1.354 -0.930 3.463 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.333 0.397 3.863 1.00 0.00 C ATOM 690 CD2 PHE A 272 1.869 -1.237 2.212 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.814 1.393 3.036 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.352 -0.245 1.382 1.00 0.00 C ATOM 693 CZ PHE A 272 2.324 1.072 1.795 1.00 0.00 C ATOM 0 H PHE A 272 2.877 -0.933 6.448 1.00 0.00 H new ATOM 0 HA PHE A 272 1.384 -3.327 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.585 -2.891 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.097 -1.679 4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.936 0.655 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 272 1.892 -2.265 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.791 2.423 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.751 -0.499 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.701 1.850 1.147 1.00 0.00 H new ATOM 699 N LYS A 273 3.278 -4.029 4.397 1.00 0.00 N ATOM 700 CA LYS A 273 4.517 -4.467 3.789 1.00 0.00 C ATOM 701 C LYS A 273 4.533 -4.110 2.307 1.00 0.00 C ATOM 702 O LYS A 273 3.793 -4.690 1.504 1.00 0.00 O ATOM 703 CB LYS A 273 4.720 -5.966 3.987 1.00 0.00 C ATOM 704 CG LYS A 273 4.842 -6.389 5.446 1.00 0.00 C ATOM 705 CD LYS A 273 5.051 -7.890 5.569 1.00 0.00 C ATOM 706 CE LYS A 273 5.267 -8.313 7.013 1.00 0.00 C ATOM 707 NZ LYS A 273 6.517 -7.752 7.586 1.00 0.00 N ATOM 0 H LYS A 273 2.536 -4.728 4.403 1.00 0.00 H new ATOM 0 HA LYS A 273 5.342 -3.950 4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 273 3.883 -6.498 3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 273 5.620 -6.274 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.677 -5.864 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 273 3.942 -6.099 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 273 4.185 -8.412 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 273 5.912 -8.187 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 273 4.418 -7.989 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 273 5.301 -9.401 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 6.736 -8.235 8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 7.300 -7.893 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 6.392 -6.735 7.763 1.00 0.00 H new ATOM 710 N PHE A 274 5.374 -3.137 1.958 1.00 0.00 N ATOM 711 CA PHE A 274 5.499 -2.636 0.580 1.00 0.00 C ATOM 712 C PHE A 274 5.794 -3.740 -0.444 1.00 0.00 C ATOM 713 O PHE A 274 5.656 -3.526 -1.640 1.00 0.00 O ATOM 714 CB PHE A 274 6.580 -1.549 0.498 1.00 0.00 C ATOM 715 CG PHE A 274 7.984 -2.034 0.778 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.473 -2.079 2.075 1.00 0.00 C ATOM 717 CD2 PHE A 274 8.815 -2.431 -0.259 1.00 0.00 C ATOM 718 CE1 PHE A 274 9.759 -2.515 2.330 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.100 -2.869 -0.008 1.00 0.00 C ATOM 720 CZ PHE A 274 10.573 -2.911 1.287 1.00 0.00 C ATOM 0 H PHE A 274 5.992 -2.669 2.621 1.00 0.00 H new ATOM 0 HA PHE A 274 4.527 -2.215 0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 274 6.555 -1.105 -0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.335 -0.758 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 274 7.842 -1.770 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.452 -2.397 -1.276 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.128 -2.546 3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.735 -3.179 -0.825 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.578 -3.253 1.485 1.00 0.00 H new ATOM 726 N ILE A 275 6.169 -4.912 0.028 1.00 0.00 N ATOM 727 CA ILE A 275 6.507 -6.020 -0.853 1.00 0.00 C ATOM 728 C ILE A 275 5.291 -6.499 -1.651 1.00 0.00 C ATOM 729 O ILE A 275 5.436 -7.123 -2.699 1.00 0.00 O ATOM 730 CB ILE A 275 7.107 -7.210 -0.069 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.110 -7.714 0.980 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.421 -6.803 0.583 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.602 -8.899 1.780 1.00 0.00 C ATOM 0 H ILE A 275 6.249 -5.126 1.022 1.00 0.00 H new ATOM 0 HA ILE A 275 7.257 -5.643 -1.548 1.00 0.00 H new ATOM 0 HB ILE A 275 7.309 -8.024 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 275 5.876 -6.899 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.180 -7.987 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.833 -7.650 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.128 -6.491 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.245 -5.976 1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.839 -9.194 2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 275 6.808 -9.732 1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.515 -8.626 2.310 1.00 0.00 H new ATOM 744 N TYR A 276 4.090 -6.195 -1.157 1.00 0.00 N ATOM 745 CA TYR A 276 2.866 -6.617 -1.827 1.00 0.00 C ATOM 746 C TYR A 276 2.377 -5.552 -2.813 1.00 0.00 C ATOM 747 O TYR A 276 1.490 -5.810 -3.648 1.00 0.00 O ATOM 748 CB TYR A 276 1.770 -6.910 -0.794 1.00 0.00 C ATOM 749 CG TYR A 276 2.152 -7.950 0.242 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.362 -9.276 -0.116 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.297 -7.604 1.580 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.707 -10.224 0.828 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.643 -8.548 2.529 1.00 0.00 C ATOM 754 CZ TYR A 276 2.846 -9.856 2.148 1.00 0.00 C ATOM 755 OH TYR A 276 3.196 -10.800 3.091 1.00 0.00 O ATOM 0 H TYR A 276 3.942 -5.661 -0.300 1.00 0.00 H new ATOM 0 HA TYR A 276 3.088 -7.526 -2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.511 -5.983 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.875 -7.246 -1.317 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.254 -9.571 -1.149 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.137 -6.580 1.884 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.867 -11.250 0.532 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.754 -8.261 3.564 1.00 0.00 H new ATOM 0 HH TYR A 276 3.253 -10.376 3.973 1.00 0.00 H new ATOM 761 N VAL A 277 2.941 -4.358 -2.720 1.00 0.00 N ATOM 762 CA VAL A 277 2.541 -3.272 -3.596 1.00 0.00 C ATOM 763 C VAL A 277 3.612 -2.978 -4.641 1.00 0.00 C ATOM 764 O VAL A 277 4.676 -3.602 -4.655 1.00 0.00 O ATOM 765 CB VAL A 277 2.222 -1.971 -2.804 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.190 -2.235 -1.718 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.487 -1.362 -2.209 1.00 0.00 C ATOM 0 H VAL A 277 3.673 -4.119 -2.051 1.00 0.00 H new ATOM 0 HA VAL A 277 1.632 -3.602 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 277 1.802 -1.251 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 277 0.984 -1.310 -1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.270 -2.603 -2.172 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.575 -2.982 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.231 -0.455 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 277 3.950 -2.077 -1.529 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.185 -1.118 -3.010 1.00 0.00 H new ATOM 777 N ASP A 278 3.313 -2.038 -5.511 1.00 0.00 N ATOM 778 CA ASP A 278 4.236 -1.609 -6.547 1.00 0.00 C ATOM 779 C ASP A 278 4.147 -0.102 -6.676 1.00 0.00 C ATOM 780 O ASP A 278 3.046 0.461 -6.647 1.00 0.00 O ATOM 781 CB ASP A 278 3.903 -2.285 -7.876 1.00 0.00 C ATOM 782 CG ASP A 278 4.832 -1.869 -8.998 1.00 0.00 C ATOM 783 OD1 ASP A 278 6.016 -2.273 -8.976 1.00 0.00 O ATOM 784 OD2 ASP A 278 4.384 -1.151 -9.912 1.00 0.00 O ATOM 0 H ASP A 278 2.420 -1.546 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 278 5.253 -1.895 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 278 3.954 -3.367 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 278 2.877 -2.045 -8.153 1.00 0.00 H new ATOM 787 N VAL A 279 5.279 0.557 -6.816 1.00 0.00 N ATOM 788 CA VAL A 279 5.292 2.004 -6.848 1.00 0.00 C ATOM 789 C VAL A 279 5.054 2.509 -8.262 1.00 0.00 C ATOM 790 O VAL A 279 5.958 2.508 -9.098 1.00 0.00 O ATOM 791 CB VAL A 279 6.626 2.575 -6.307 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.544 4.086 -6.144 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.005 1.912 -4.988 1.00 0.00 C ATOM 0 H VAL A 279 6.195 0.118 -6.909 1.00 0.00 H new ATOM 0 HA VAL A 279 4.486 2.350 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 279 7.406 2.354 -7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.493 4.463 -5.763 1.00 0.00 H new ATOM 0 HG12 VAL A 279 6.333 4.545 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 279 5.747 4.334 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 279 7.945 2.329 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 279 6.222 2.093 -4.252 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.119 0.839 -5.140 1.00 0.00 H new ATOM 803 N ILE A 280 3.836 2.955 -8.513 1.00 0.00 N ATOM 804 CA ILE A 280 3.449 3.467 -9.823 1.00 0.00 C ATOM 805 C ILE A 280 3.347 4.977 -9.782 1.00 0.00 C ATOM 806 O ILE A 280 2.910 5.613 -10.735 1.00 0.00 O ATOM 807 CB ILE A 280 2.084 2.892 -10.272 1.00 0.00 C ATOM 808 CG1 ILE A 280 0.993 3.234 -9.244 1.00 0.00 C ATOM 809 CG2 ILE A 280 2.181 1.386 -10.472 1.00 0.00 C ATOM 810 CD1 ILE A 280 -0.405 2.847 -9.678 1.00 0.00 C ATOM 0 H ILE A 280 3.088 2.974 -7.820 1.00 0.00 H new ATOM 0 HA ILE A 280 4.215 3.159 -10.534 1.00 0.00 H new ATOM 0 HB ILE A 280 1.812 3.347 -11.224 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.223 2.731 -8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 280 1.017 4.306 -9.046 1.00 0.00 H new ATOM 0 HG21 ILE A 280 1.213 0.998 -10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 280 2.926 1.168 -11.237 1.00 0.00 H new ATOM 0 HG23 ILE A 280 2.474 0.913 -9.535 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -1.117 3.121 -8.899 1.00 0.00 H new ATOM 0 HD12 ILE A 280 -0.657 3.370 -10.601 1.00 0.00 H new ATOM 0 HD13 ILE A 280 -0.449 1.771 -9.847 1.00 0.00 H new