USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=18 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 254 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 256 THR OG1 : rot 23:sc= 0.932 USER MOD Set 1.3: A 258 MET CE :methyl 163:sc= -0.105 (180deg=-0.552) USER MOD Single : A 229 HIS :FLIP no HE2:sc= 0.143 F(o=-0.57,f=0.14) USER MOD Single : A 230 THR OG1 : rot -150:sc= 0 USER MOD Single : A 233 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 235 SER OG : rot 180:sc= 0 USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 239 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 LYS NZ :NH3+ 178:sc= 0.775 (180deg=0.773) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 246 LYS NZ :NH3+ 170:sc=-0.00274 (180deg=-0.139) USER MOD Single : A 255 LYS NZ :NH3+ -168:sc= -1.3 (180deg=-1.8!) USER MOD Single : A 260 MET CE :methyl 162:sc= -0.0759 (180deg=-0.463) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl 155:sc= -0.249 (180deg=-1.02) USER MOD Single : A 266 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.6!) USER MOD Single : A 267 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1) USER MOD Single : A 268 LYS NZ :NH3+ 168:sc= 0.175 (180deg=0.0594) USER MOD Single : A 271 ASN : amide:sc= -0.0633 X(o=-0.063,f=-0.18) 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 4.476 8.856 -4.459 1.00 0.00 N ATOM 49 CA GLY A 224 4.247 8.752 -3.032 1.00 0.00 C ATOM 50 C GLY A 224 2.961 8.010 -2.774 1.00 0.00 C ATOM 51 O GLY A 224 2.213 8.317 -1.846 1.00 0.00 O ATOM 0 HA2 GLY A 224 5.079 8.232 -2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 224 4.199 9.747 -2.589 1.00 0.00 H new ATOM 55 N ARG A 225 2.717 7.033 -3.623 1.00 0.00 N ATOM 56 CA ARG A 225 1.528 6.215 -3.598 1.00 0.00 C ATOM 57 C ARG A 225 1.831 4.904 -4.303 1.00 0.00 C ATOM 58 O ARG A 225 2.697 4.861 -5.185 1.00 0.00 O ATOM 59 CB ARG A 225 0.380 6.947 -4.300 1.00 0.00 C ATOM 60 CG ARG A 225 0.778 7.544 -5.643 1.00 0.00 C ATOM 61 CD ARG A 225 -0.327 8.394 -6.233 1.00 0.00 C ATOM 62 NE ARG A 225 0.145 9.169 -7.388 1.00 0.00 N ATOM 63 CZ ARG A 225 -0.608 10.037 -8.071 1.00 0.00 C ATOM 64 NH1 ARG A 225 -1.881 10.213 -7.751 1.00 0.00 N ATOM 65 NH2 ARG A 225 -0.085 10.726 -9.079 1.00 0.00 N ATOM 0 H ARG A 225 3.362 6.781 -4.372 1.00 0.00 H new ATOM 0 HA ARG A 225 1.228 6.016 -2.569 1.00 0.00 H new ATOM 0 HB2 ARG A 225 -0.447 6.253 -4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 225 0.015 7.743 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 225 1.675 8.150 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 225 1.029 6.742 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -1.156 7.755 -6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -0.711 9.072 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 225 1.111 9.036 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.291 9.685 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -2.452 10.876 -8.275 1.00 0.00 H new ATOM 0 HH21 ARG A 225 0.894 10.593 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -0.662 11.388 -9.598 1.00 0.00 H new ATOM 68 N ALA A 226 1.155 3.847 -3.924 1.00 0.00 N ATOM 69 CA ALA A 226 1.414 2.553 -4.512 1.00 0.00 C ATOM 70 C ALA A 226 0.148 1.738 -4.645 1.00 0.00 C ATOM 71 O ALA A 226 -0.768 1.845 -3.827 1.00 0.00 O ATOM 72 CB ALA A 226 2.444 1.800 -3.684 1.00 0.00 C ATOM 0 H ALA A 226 0.423 3.856 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 226 1.809 2.714 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.632 0.826 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.372 2.370 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.067 1.663 -2.671 1.00 0.00 H new ATOM 78 N ARG A 227 0.090 0.930 -5.683 1.00 0.00 N ATOM 79 CA ARG A 227 -1.041 0.065 -5.909 1.00 0.00 C ATOM 80 C ARG A 227 -0.748 -1.295 -5.301 1.00 0.00 C ATOM 81 O ARG A 227 0.276 -1.907 -5.605 1.00 0.00 O ATOM 82 CB ARG A 227 -1.317 -0.066 -7.411 1.00 0.00 C ATOM 83 CG ARG A 227 -2.636 -0.743 -7.750 1.00 0.00 C ATOM 84 CD ARG A 227 -2.901 -0.709 -9.245 1.00 0.00 C ATOM 85 NE ARG A 227 -4.251 -1.165 -9.578 1.00 0.00 N ATOM 86 CZ ARG A 227 -4.745 -1.193 -10.824 1.00 0.00 C ATOM 87 NH1 ARG A 227 -3.990 -0.814 -11.851 1.00 0.00 N ATOM 88 NH2 ARG A 227 -5.988 -1.595 -11.037 1.00 0.00 N ATOM 0 H ARG A 227 0.823 0.857 -6.388 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.928 0.489 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.307 0.928 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.505 -0.630 -7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.617 -1.777 -7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.450 -0.246 -7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.761 0.307 -9.614 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -2.171 -1.337 -9.756 1.00 0.00 H new ATOM 0 HE ARG A 227 -4.852 -1.480 -8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -3.032 -0.501 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -4.369 -0.836 -12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -6.572 -1.884 -10.252 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -6.362 -1.616 -11.986 1.00 0.00 H new ATOM 91 N VAL A 228 -1.629 -1.763 -4.449 1.00 0.00 N ATOM 92 CA VAL A 228 -1.426 -3.034 -3.779 1.00 0.00 C ATOM 93 C VAL A 228 -1.838 -4.192 -4.691 1.00 0.00 C ATOM 94 O VAL A 228 -2.871 -4.131 -5.358 1.00 0.00 O ATOM 95 CB VAL A 228 -2.176 -3.088 -2.421 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.652 -2.799 -2.593 1.00 0.00 C ATOM 97 CG2 VAL A 228 -1.962 -4.421 -1.732 1.00 0.00 C ATOM 0 H VAL A 228 -2.495 -1.285 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.363 -3.135 -3.561 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.758 -2.308 -1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.147 -2.845 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.781 -1.804 -3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.092 -3.540 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.499 -4.431 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.335 -5.223 -2.368 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -0.898 -4.569 -1.548 1.00 0.00 H new ATOM 107 N HIS A 229 -1.025 -5.245 -4.716 1.00 0.00 N ATOM 108 CA HIS A 229 -1.257 -6.372 -5.620 1.00 0.00 C ATOM 109 C HIS A 229 -1.612 -7.644 -4.863 1.00 0.00 C ATOM 110 O HIS A 229 -1.844 -8.687 -5.469 1.00 0.00 O ATOM 111 CB HIS A 229 -0.019 -6.627 -6.498 1.00 0.00 C ATOM 112 CG HIS A 229 0.155 -5.654 -7.630 1.00 0.00 C ATOM 113 ND1 HIS A 229 0.401 -4.319 -7.636 1.00 0.00 N flip ATOM 114 CD2 HIS A 229 0.097 -6.029 -8.954 1.00 0.00 C flip ATOM 115 CE1 HIS A 229 0.480 -3.927 -8.952 1.00 0.00 C flip ATOM 116 NE2 HIS A 229 0.295 -4.976 -9.724 1.00 0.00 N flip ATOM 0 H HIS A 229 -0.201 -5.343 -4.123 1.00 0.00 H new ATOM 0 HA HIS A 229 -2.104 -6.104 -6.252 1.00 0.00 H new ATOM 0 HB2 HIS A 229 0.870 -6.595 -5.868 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -0.082 -7.635 -6.909 1.00 0.00 H new ATOM 0 HD1 HIS A 229 0.507 -3.719 -6.818 1.00 0.00 H new ATOM 0 HD2 HIS A 229 -0.083 -7.033 -9.308 1.00 0.00 H new ATOM 0 HE1 HIS A 229 0.664 -2.920 -9.296 1.00 0.00 H new ATOM 121 N THR A 230 -1.678 -7.560 -3.550 1.00 0.00 N ATOM 122 CA THR A 230 -1.952 -8.728 -2.737 1.00 0.00 C ATOM 123 C THR A 230 -2.887 -8.385 -1.586 1.00 0.00 C ATOM 124 O THR A 230 -2.766 -7.328 -0.977 1.00 0.00 O ATOM 125 CB THR A 230 -0.640 -9.325 -2.179 1.00 0.00 C ATOM 126 OG1 THR A 230 0.242 -9.648 -3.265 1.00 0.00 O ATOM 127 CG2 THR A 230 -0.906 -10.580 -1.357 1.00 0.00 C ATOM 0 H THR A 230 -1.546 -6.697 -3.023 1.00 0.00 H new ATOM 0 HA THR A 230 -2.437 -9.467 -3.374 1.00 0.00 H new ATOM 0 HB THR A 230 -0.180 -8.580 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 230 0.807 -10.408 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 230 0.037 -10.974 -0.979 1.00 0.00 H new ATOM 0 HG22 THR A 230 -1.558 -10.334 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 230 -1.388 -11.330 -1.984 1.00 0.00 H new ATOM 134 N ASP A 231 -3.826 -9.277 -1.308 1.00 0.00 N ATOM 135 CA ASP A 231 -4.750 -9.080 -0.206 1.00 0.00 C ATOM 136 C ASP A 231 -4.055 -9.411 1.106 1.00 0.00 C ATOM 137 O ASP A 231 -3.084 -10.176 1.123 1.00 0.00 O ATOM 138 CB ASP A 231 -6.022 -9.935 -0.378 1.00 0.00 C ATOM 139 CG ASP A 231 -5.773 -11.430 -0.264 1.00 0.00 C ATOM 140 OD1 ASP A 231 -5.444 -12.068 -1.288 1.00 0.00 O ATOM 141 OD2 ASP A 231 -5.923 -11.980 0.851 1.00 0.00 O ATOM 0 H ASP A 231 -3.967 -10.142 -1.830 1.00 0.00 H new ATOM 0 HA ASP A 231 -5.059 -8.035 -0.197 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -6.753 -9.639 0.375 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -6.463 -9.722 -1.352 1.00 0.00 H new ATOM 144 N PHE A 232 -4.575 -8.872 2.199 1.00 0.00 N ATOM 145 CA PHE A 232 -3.946 -9.048 3.506 1.00 0.00 C ATOM 146 C PHE A 232 -4.698 -8.312 4.604 1.00 0.00 C ATOM 147 O PHE A 232 -4.625 -7.085 4.713 1.00 0.00 O ATOM 148 CB PHE A 232 -2.478 -8.577 3.469 1.00 0.00 C ATOM 149 CG PHE A 232 -1.751 -8.680 4.783 1.00 0.00 C ATOM 150 CD1 PHE A 232 -1.482 -9.914 5.346 1.00 0.00 C ATOM 151 CD2 PHE A 232 -1.327 -7.538 5.446 1.00 0.00 C ATOM 152 CE1 PHE A 232 -0.804 -10.011 6.543 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.651 -7.629 6.645 1.00 0.00 C ATOM 154 CZ PHE A 232 -0.388 -8.868 7.194 1.00 0.00 C ATOM 0 H PHE A 232 -5.427 -8.311 2.211 1.00 0.00 H new ATOM 0 HA PHE A 232 -3.978 -10.113 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -1.941 -9.165 2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -2.452 -7.540 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -1.807 -10.812 4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -1.528 -6.567 5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 232 -0.599 -10.981 6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -0.328 -6.732 7.153 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.143 -8.942 8.132 1.00 0.00 H new ATOM 160 N THR A 233 -5.444 -9.050 5.392 1.00 0.00 N ATOM 161 CA THR A 233 -6.070 -8.498 6.559 1.00 0.00 C ATOM 162 C THR A 233 -5.916 -9.462 7.742 1.00 0.00 C ATOM 163 O THR A 233 -6.393 -10.605 7.694 1.00 0.00 O ATOM 164 CB THR A 233 -7.573 -8.169 6.316 1.00 0.00 C ATOM 165 OG1 THR A 233 -8.177 -7.709 7.526 1.00 0.00 O ATOM 166 CG2 THR A 233 -8.342 -9.376 5.791 1.00 0.00 C ATOM 0 H THR A 233 -5.630 -10.041 5.240 1.00 0.00 H new ATOM 0 HA THR A 233 -5.568 -7.558 6.791 1.00 0.00 H new ATOM 0 HB THR A 233 -7.616 -7.386 5.559 1.00 0.00 H new ATOM 0 HG1 THR A 233 -9.121 -7.503 7.363 1.00 0.00 H new ATOM 0 HG21 THR A 233 -9.386 -9.103 5.635 1.00 0.00 H new ATOM 0 HG22 THR A 233 -7.907 -9.701 4.846 1.00 0.00 H new ATOM 0 HG23 THR A 233 -8.284 -10.188 6.516 1.00 0.00 H new ATOM 173 N PRO A 234 -5.200 -9.034 8.801 1.00 0.00 N ATOM 174 CA PRO A 234 -4.998 -9.852 10.006 1.00 0.00 C ATOM 175 C PRO A 234 -6.327 -10.326 10.582 1.00 0.00 C ATOM 176 O PRO A 234 -6.486 -11.487 10.951 1.00 0.00 O ATOM 177 CB PRO A 234 -4.311 -8.885 10.974 1.00 0.00 C ATOM 178 CG PRO A 234 -3.630 -7.897 10.096 1.00 0.00 C ATOM 179 CD PRO A 234 -4.520 -7.728 8.899 1.00 0.00 C ATOM 0 HA PRO A 234 -4.420 -10.755 9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -5.034 -8.400 11.630 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -3.598 -9.405 11.614 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -3.487 -6.948 10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -2.642 -8.252 9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.230 -6.913 9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -3.947 -7.503 7.999 1.00 0.00 H new ATOM 187 N SER A 235 -7.269 -9.412 10.671 1.00 0.00 N ATOM 188 CA SER A 235 -8.604 -9.717 11.124 1.00 0.00 C ATOM 189 C SER A 235 -9.611 -8.910 10.305 1.00 0.00 C ATOM 190 O SER A 235 -9.486 -7.695 10.191 1.00 0.00 O ATOM 191 CB SER A 235 -8.737 -9.410 12.611 1.00 0.00 C ATOM 192 OG SER A 235 -7.784 -10.144 13.361 1.00 0.00 O ATOM 0 H SER A 235 -7.127 -8.431 10.429 1.00 0.00 H new ATOM 0 HA SER A 235 -8.806 -10.779 10.982 1.00 0.00 H new ATOM 0 HB2 SER A 235 -8.597 -8.342 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 235 -9.743 -9.658 12.950 1.00 0.00 H new ATOM 0 HG SER A 235 -7.884 -9.933 14.313 1.00 0.00 H new ATOM 198 N PRO A 236 -10.617 -9.577 9.716 1.00 0.00 N ATOM 199 CA PRO A 236 -11.612 -8.918 8.848 1.00 0.00 C ATOM 200 C PRO A 236 -12.435 -7.841 9.568 1.00 0.00 C ATOM 201 O PRO A 236 -12.905 -6.893 8.945 1.00 0.00 O ATOM 202 CB PRO A 236 -12.519 -10.069 8.389 1.00 0.00 C ATOM 203 CG PRO A 236 -12.290 -11.163 9.377 1.00 0.00 C ATOM 204 CD PRO A 236 -10.868 -11.023 9.837 1.00 0.00 C ATOM 0 HA PRO A 236 -11.125 -8.386 8.031 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -13.565 -9.764 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -12.266 -10.391 7.379 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -12.980 -11.080 10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -12.457 -12.139 8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -10.740 -11.370 10.863 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -10.185 -11.604 9.217 1.00 0.00 H new ATOM 212 N TYR A 237 -12.605 -7.994 10.869 1.00 0.00 N ATOM 213 CA TYR A 237 -13.389 -7.045 11.658 1.00 0.00 C ATOM 214 C TYR A 237 -12.516 -5.934 12.259 1.00 0.00 C ATOM 215 O TYR A 237 -13.006 -4.841 12.545 1.00 0.00 O ATOM 216 CB TYR A 237 -14.158 -7.779 12.763 1.00 0.00 C ATOM 217 CG TYR A 237 -13.285 -8.618 13.681 1.00 0.00 C ATOM 218 CD1 TYR A 237 -12.849 -9.882 13.297 1.00 0.00 C ATOM 219 CD2 TYR A 237 -12.904 -8.150 14.930 1.00 0.00 C ATOM 220 CE1 TYR A 237 -12.061 -10.650 14.131 1.00 0.00 C ATOM 221 CE2 TYR A 237 -12.116 -8.911 15.767 1.00 0.00 C ATOM 222 CZ TYR A 237 -11.698 -10.160 15.363 1.00 0.00 C ATOM 223 OH TYR A 237 -10.917 -10.924 16.201 1.00 0.00 O ATOM 0 H TYR A 237 -12.212 -8.766 11.408 1.00 0.00 H new ATOM 0 HA TYR A 237 -14.100 -6.569 10.983 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -14.697 -7.046 13.363 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -14.906 -8.424 12.302 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -13.132 -10.269 12.329 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -13.230 -7.172 15.252 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -11.732 -11.630 13.817 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -11.828 -8.530 16.735 1.00 0.00 H new ATOM 0 HH TYR A 237 -10.750 -10.432 17.032 1.00 0.00 H new ATOM 229 N ASP A 238 -11.238 -6.246 12.483 1.00 0.00 N ATOM 230 CA ASP A 238 -10.266 -5.281 13.048 1.00 0.00 C ATOM 231 C ASP A 238 -10.286 -3.913 12.337 1.00 0.00 C ATOM 232 O ASP A 238 -10.773 -3.777 11.206 1.00 0.00 O ATOM 233 CB ASP A 238 -8.849 -5.872 13.045 1.00 0.00 C ATOM 234 CG ASP A 238 -7.806 -4.911 13.587 1.00 0.00 C ATOM 235 OD1 ASP A 238 -8.004 -4.377 14.701 1.00 0.00 O ATOM 236 OD2 ASP A 238 -6.799 -4.668 12.898 1.00 0.00 O ATOM 0 H ASP A 238 -10.841 -7.164 12.283 1.00 0.00 H new ATOM 0 HA ASP A 238 -10.576 -5.099 14.077 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -8.840 -6.784 13.642 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -8.581 -6.155 12.027 1.00 0.00 H new ATOM 239 N THR A 239 -9.730 -2.914 13.004 1.00 0.00 N ATOM 240 CA THR A 239 -9.717 -1.562 12.506 1.00 0.00 C ATOM 241 C THR A 239 -8.385 -0.884 12.875 1.00 0.00 C ATOM 242 O THR A 239 -8.147 0.271 12.529 1.00 0.00 O ATOM 243 CB THR A 239 -10.892 -0.749 13.106 1.00 0.00 C ATOM 244 OG1 THR A 239 -12.071 -1.571 13.168 1.00 0.00 O ATOM 245 CG2 THR A 239 -11.193 0.483 12.259 1.00 0.00 C ATOM 0 H THR A 239 -9.275 -3.027 13.910 1.00 0.00 H new ATOM 0 HA THR A 239 -9.826 -1.592 11.422 1.00 0.00 H new ATOM 0 HB THR A 239 -10.604 -0.428 14.107 1.00 0.00 H new ATOM 0 HG1 THR A 239 -12.811 -1.054 13.549 1.00 0.00 H new ATOM 0 HG21 THR A 239 -12.021 1.036 12.702 1.00 0.00 H new ATOM 0 HG22 THR A 239 -10.311 1.122 12.219 1.00 0.00 H new ATOM 0 HG23 THR A 239 -11.462 0.173 11.249 1.00 0.00 H new ATOM 252 N ASP A 240 -7.509 -1.620 13.573 1.00 0.00 N ATOM 253 CA ASP A 240 -6.224 -1.063 13.995 1.00 0.00 C ATOM 254 C ASP A 240 -5.158 -1.304 12.940 1.00 0.00 C ATOM 255 O ASP A 240 -4.443 -0.381 12.548 1.00 0.00 O ATOM 256 CB ASP A 240 -5.778 -1.647 15.340 1.00 0.00 C ATOM 257 CG ASP A 240 -4.485 -1.019 15.843 1.00 0.00 C ATOM 258 OD1 ASP A 240 -4.546 0.066 16.465 1.00 0.00 O ATOM 259 OD2 ASP A 240 -3.401 -1.606 15.619 1.00 0.00 O ATOM 0 H ASP A 240 -7.666 -2.588 13.852 1.00 0.00 H new ATOM 0 HA ASP A 240 -6.357 0.012 14.118 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -6.565 -1.494 16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -5.641 -2.724 15.238 1.00 0.00 H new ATOM 262 N SER A 241 -5.064 -2.538 12.468 1.00 0.00 N ATOM 263 CA SER A 241 -4.100 -2.889 11.436 1.00 0.00 C ATOM 264 C SER A 241 -4.561 -2.347 10.081 1.00 0.00 C ATOM 265 O SER A 241 -5.610 -1.704 9.988 1.00 0.00 O ATOM 266 CB SER A 241 -3.923 -4.407 11.377 1.00 0.00 C ATOM 267 OG SER A 241 -3.408 -4.908 12.602 1.00 0.00 O ATOM 0 H SER A 241 -5.645 -3.315 12.784 1.00 0.00 H new ATOM 0 HA SER A 241 -3.138 -2.438 11.680 1.00 0.00 H new ATOM 0 HB2 SER A 241 -4.881 -4.880 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 241 -3.248 -4.666 10.562 1.00 0.00 H new ATOM 0 HG SER A 241 -3.305 -5.881 12.540 1.00 0.00 H new ATOM 273 N LEU A 242 -3.809 -2.615 9.029 1.00 0.00 N ATOM 274 CA LEU A 242 -4.180 -2.112 7.729 1.00 0.00 C ATOM 275 C LEU A 242 -4.697 -3.242 6.867 1.00 0.00 C ATOM 276 O LEU A 242 -3.953 -4.138 6.482 1.00 0.00 O ATOM 277 CB LEU A 242 -3.014 -1.403 7.041 1.00 0.00 C ATOM 278 CG LEU A 242 -3.375 -0.656 5.747 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.421 0.420 6.015 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.137 -0.045 5.119 1.00 0.00 C ATOM 0 H LEU A 242 -2.953 -3.169 9.052 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.971 -1.375 7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.577 -0.692 7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.244 -2.140 6.813 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.798 -1.377 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.660 0.935 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.323 -0.042 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.029 1.137 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.414 0.479 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.684 0.659 5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.422 -0.833 4.883 1.00 0.00 H new ATOM 292 N LYS A 243 -5.978 -3.199 6.595 1.00 0.00 N ATOM 293 CA LYS A 243 -6.629 -4.211 5.796 1.00 0.00 C ATOM 294 C LYS A 243 -6.510 -3.858 4.322 1.00 0.00 C ATOM 295 O LYS A 243 -7.229 -2.988 3.827 1.00 0.00 O ATOM 296 CB LYS A 243 -8.098 -4.309 6.202 1.00 0.00 C ATOM 297 CG LYS A 243 -8.295 -4.609 7.679 1.00 0.00 C ATOM 298 CD LYS A 243 -9.742 -4.430 8.108 1.00 0.00 C ATOM 299 CE LYS A 243 -10.167 -2.969 8.025 1.00 0.00 C ATOM 300 NZ LYS A 243 -11.511 -2.742 8.608 1.00 0.00 N ATOM 0 H LYS A 243 -6.601 -2.460 6.921 1.00 0.00 H new ATOM 0 HA LYS A 243 -6.149 -5.175 5.963 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.598 -3.372 5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.579 -5.089 5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -7.979 -5.631 7.887 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -7.657 -3.952 8.271 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -10.389 -5.036 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -9.868 -4.790 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -9.437 -2.350 8.547 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -10.167 -2.651 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -11.744 -1.730 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -12.218 -3.286 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -11.516 -3.052 9.601 1.00 0.00 H new ATOM 303 N ILE A 244 -5.592 -4.506 3.631 1.00 0.00 N ATOM 304 CA ILE A 244 -5.373 -4.222 2.227 1.00 0.00 C ATOM 305 C ILE A 244 -6.048 -5.261 1.339 1.00 0.00 C ATOM 306 O ILE A 244 -6.207 -6.426 1.722 1.00 0.00 O ATOM 307 CB ILE A 244 -3.865 -4.107 1.876 1.00 0.00 C ATOM 308 CG1 ILE A 244 -3.121 -5.401 2.211 1.00 0.00 C ATOM 309 CG2 ILE A 244 -3.241 -2.929 2.615 1.00 0.00 C ATOM 310 CD1 ILE A 244 -1.641 -5.360 1.879 1.00 0.00 C ATOM 0 H ILE A 244 -4.988 -5.231 4.018 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.829 -3.251 2.033 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.778 -3.937 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -3.240 -5.613 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -3.583 -6.226 1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -2.183 -2.859 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.746 -2.008 2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -3.347 -3.077 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -1.182 -6.312 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -1.512 -5.180 0.812 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -1.164 -4.558 2.442 1.00 0.00 H new ATOM 321 N LYS A 245 -6.452 -4.827 0.164 1.00 0.00 N ATOM 322 CA LYS A 245 -7.162 -5.678 -0.773 1.00 0.00 C ATOM 323 C LYS A 245 -6.272 -6.022 -1.961 1.00 0.00 C ATOM 324 O LYS A 245 -5.271 -5.355 -2.207 1.00 0.00 O ATOM 325 CB LYS A 245 -8.430 -4.964 -1.251 1.00 0.00 C ATOM 326 CG LYS A 245 -9.370 -4.573 -0.117 1.00 0.00 C ATOM 327 CD LYS A 245 -10.512 -3.689 -0.597 1.00 0.00 C ATOM 328 CE LYS A 245 -11.419 -4.412 -1.579 1.00 0.00 C ATOM 329 NZ LYS A 245 -12.572 -3.568 -1.982 1.00 0.00 N ATOM 0 H LYS A 245 -6.299 -3.876 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 245 -7.438 -6.606 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.147 -4.068 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.962 -5.612 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -9.778 -5.474 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -8.807 -4.049 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -11.098 -3.357 0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -10.104 -2.796 -1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -10.847 -4.694 -2.463 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -11.783 -5.335 -1.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -13.169 -4.093 -2.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -13.131 -3.320 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -12.224 -2.699 -2.436 1.00 0.00 H new ATOM 332 N LYS A 246 -6.637 -7.056 -2.698 1.00 0.00 N ATOM 333 CA LYS A 246 -5.855 -7.469 -3.854 1.00 0.00 C ATOM 334 C LYS A 246 -6.180 -6.609 -5.079 1.00 0.00 C ATOM 335 O LYS A 246 -7.051 -6.941 -5.879 1.00 0.00 O ATOM 336 CB LYS A 246 -6.057 -8.965 -4.153 1.00 0.00 C ATOM 337 CG LYS A 246 -7.514 -9.399 -4.258 1.00 0.00 C ATOM 338 CD LYS A 246 -7.628 -10.888 -4.518 1.00 0.00 C ATOM 339 CE LYS A 246 -9.078 -11.337 -4.605 1.00 0.00 C ATOM 340 NZ LYS A 246 -9.788 -10.713 -5.748 1.00 0.00 N ATOM 0 H LYS A 246 -7.465 -7.624 -2.520 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.802 -7.317 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -5.551 -9.207 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -5.573 -9.548 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -8.038 -9.148 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -8.002 -8.849 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -7.115 -11.135 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -7.125 -11.436 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -9.116 -12.422 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -9.592 -11.084 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -10.714 -11.170 -5.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -9.924 -9.699 -5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -9.224 -10.832 -6.614 1.00 0.00 H new ATOM 343 N GLY A 247 -5.495 -5.486 -5.194 1.00 0.00 N ATOM 344 CA GLY A 247 -5.724 -4.597 -6.308 1.00 0.00 C ATOM 345 C GLY A 247 -6.456 -3.347 -5.881 1.00 0.00 C ATOM 346 O GLY A 247 -7.642 -3.176 -6.176 1.00 0.00 O ATOM 0 H GLY A 247 -4.783 -5.174 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -4.770 -4.324 -6.759 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.302 -5.114 -7.074 1.00 0.00 H new ATOM 350 N ASP A 248 -5.760 -2.473 -5.177 1.00 0.00 N ATOM 351 CA ASP A 248 -6.353 -1.235 -4.698 1.00 0.00 C ATOM 352 C ASP A 248 -5.292 -0.139 -4.657 1.00 0.00 C ATOM 353 O ASP A 248 -4.153 -0.368 -5.075 1.00 0.00 O ATOM 354 CB ASP A 248 -6.973 -1.444 -3.312 1.00 0.00 C ATOM 355 CG ASP A 248 -8.140 -0.520 -3.060 1.00 0.00 C ATOM 356 OD1 ASP A 248 -9.250 -0.818 -3.555 1.00 0.00 O ATOM 357 OD2 ASP A 248 -7.964 0.499 -2.366 1.00 0.00 O ATOM 0 H ASP A 248 -4.780 -2.597 -4.923 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.146 -0.929 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -7.304 -2.478 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.213 -1.282 -2.548 1.00 0.00 H new ATOM 360 N ILE A 249 -5.635 1.023 -4.130 1.00 0.00 N ATOM 361 CA ILE A 249 -4.713 2.153 -4.119 1.00 0.00 C ATOM 362 C ILE A 249 -4.375 2.569 -2.695 1.00 0.00 C ATOM 363 O ILE A 249 -5.267 2.848 -1.884 1.00 0.00 O ATOM 364 CB ILE A 249 -5.295 3.371 -4.890 1.00 0.00 C ATOM 365 CG1 ILE A 249 -5.506 3.028 -6.372 1.00 0.00 C ATOM 366 CG2 ILE A 249 -4.390 4.594 -4.750 1.00 0.00 C ATOM 367 CD1 ILE A 249 -4.228 2.698 -7.120 1.00 0.00 C ATOM 0 H ILE A 249 -6.542 1.212 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.803 1.826 -4.621 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.263 3.612 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -6.186 2.179 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.994 3.870 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -4.822 5.431 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -4.298 4.860 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.404 4.365 -5.154 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -4.464 2.467 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -3.553 3.553 -7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.748 1.836 -6.657 1.00 0.00 H new ATOM 378 N ILE A 250 -3.091 2.604 -2.395 1.00 0.00 N ATOM 379 CA ILE A 250 -2.626 2.991 -1.084 1.00 0.00 C ATOM 380 C ILE A 250 -1.757 4.239 -1.179 1.00 0.00 C ATOM 381 O ILE A 250 -0.802 4.284 -1.957 1.00 0.00 O ATOM 382 CB ILE A 250 -1.797 1.864 -0.416 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.582 0.552 -0.399 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.408 2.261 1.004 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.806 -0.611 0.182 1.00 0.00 C ATOM 0 H ILE A 250 -2.347 2.366 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.509 3.189 -0.476 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.889 1.716 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.496 0.693 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.883 0.305 -1.417 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.826 1.459 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.810 3.172 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.309 2.435 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.425 -1.508 0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.905 -0.779 -0.408 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.528 -0.385 1.211 1.00 0.00 H new ATOM 396 N ASP A 251 -2.103 5.250 -0.408 1.00 0.00 N ATOM 397 CA ASP A 251 -1.298 6.463 -0.330 1.00 0.00 C ATOM 398 C ASP A 251 -0.081 6.160 0.535 1.00 0.00 C ATOM 399 O ASP A 251 -0.059 5.142 1.207 1.00 0.00 O ATOM 400 CB ASP A 251 -2.128 7.604 0.281 1.00 0.00 C ATOM 401 CG ASP A 251 -1.383 8.923 0.347 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.335 9.636 -0.673 1.00 0.00 O ATOM 403 OD2 ASP A 251 -0.848 9.256 1.419 1.00 0.00 O ATOM 0 H ASP A 251 -2.938 5.260 0.177 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.979 6.778 -1.323 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -3.036 7.737 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.438 7.320 1.287 1.00 0.00 H new ATOM 406 N ILE A 252 0.914 7.022 0.539 1.00 0.00 N ATOM 407 CA ILE A 252 2.117 6.766 1.312 1.00 0.00 C ATOM 408 C ILE A 252 2.571 8.041 2.000 1.00 0.00 C ATOM 409 O ILE A 252 3.069 8.967 1.350 1.00 0.00 O ATOM 410 CB ILE A 252 3.272 6.219 0.433 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.846 4.932 -0.285 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.505 5.958 1.286 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.874 4.412 -1.265 1.00 0.00 C ATOM 0 H ILE A 252 0.917 7.901 0.021 1.00 0.00 H new ATOM 0 HA ILE A 252 1.870 6.005 2.052 1.00 0.00 H new ATOM 0 HB ILE A 252 3.514 6.970 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.644 4.161 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.912 5.115 -0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.308 5.574 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.825 6.888 1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 252 4.266 5.225 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.502 3.501 -1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.059 5.164 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.803 4.196 -0.737 1.00 0.00 H new ATOM 424 N ILE A 253 2.394 8.098 3.308 1.00 0.00 N ATOM 425 CA ILE A 253 2.764 9.285 4.070 1.00 0.00 C ATOM 426 C ILE A 253 4.151 9.132 4.663 1.00 0.00 C ATOM 427 O ILE A 253 4.721 10.083 5.207 1.00 0.00 O ATOM 428 CB ILE A 253 1.759 9.582 5.203 1.00 0.00 C ATOM 429 CG1 ILE A 253 1.731 8.437 6.216 1.00 0.00 C ATOM 430 CG2 ILE A 253 0.369 9.827 4.629 1.00 0.00 C ATOM 431 CD1 ILE A 253 0.914 8.740 7.449 1.00 0.00 C ATOM 0 H ILE A 253 1.998 7.341 3.866 1.00 0.00 H new ATOM 0 HA ILE A 253 2.753 10.122 3.372 1.00 0.00 H new ATOM 0 HB ILE A 253 2.082 10.485 5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 253 1.329 7.546 5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 253 2.753 8.203 6.516 1.00 0.00 H new ATOM 0 HG21 ILE A 253 -0.328 10.035 5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 253 0.401 10.679 3.950 1.00 0.00 H new ATOM 0 HG23 ILE A 253 0.039 8.942 4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 253 0.940 7.883 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 253 1.329 9.612 7.955 1.00 0.00 H new ATOM 0 HD13 ILE A 253 -0.117 8.944 7.161 1.00 0.00 H new ATOM 442 N CYS A 254 4.695 7.938 4.546 1.00 0.00 N ATOM 443 CA CYS A 254 6.008 7.633 5.055 1.00 0.00 C ATOM 444 C CYS A 254 6.495 6.339 4.440 1.00 0.00 C ATOM 445 O CYS A 254 5.834 5.302 4.555 1.00 0.00 O ATOM 446 CB CYS A 254 5.987 7.520 6.584 1.00 0.00 C ATOM 447 SG CYS A 254 7.590 7.142 7.323 1.00 0.00 S ATOM 0 H CYS A 254 4.233 7.150 4.092 1.00 0.00 H new ATOM 0 HA CYS A 254 6.688 8.442 4.787 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.620 8.458 7.001 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.276 6.744 6.870 1.00 0.00 H new ATOM 0 HG CYS A 254 7.466 7.070 8.615 1.00 0.00 H new ATOM 453 N LYS A 255 7.626 6.400 3.763 1.00 0.00 N ATOM 454 CA LYS A 255 8.183 5.226 3.133 1.00 0.00 C ATOM 455 C LYS A 255 9.038 4.451 4.121 1.00 0.00 C ATOM 456 O LYS A 255 8.512 3.676 4.910 1.00 0.00 O ATOM 457 CB LYS A 255 8.995 5.580 1.867 1.00 0.00 C ATOM 458 CG LYS A 255 8.167 6.131 0.703 1.00 0.00 C ATOM 459 CD LYS A 255 7.770 7.597 0.902 1.00 0.00 C ATOM 460 CE LYS A 255 8.855 8.568 0.421 1.00 0.00 C ATOM 461 NZ LYS A 255 10.143 8.400 1.143 1.00 0.00 N ATOM 0 H LYS A 255 8.174 7.251 3.637 1.00 0.00 H new ATOM 0 HA LYS A 255 7.351 4.596 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.754 6.315 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.521 4.687 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.738 6.036 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.267 5.528 0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.844 7.796 0.363 1.00 0.00 H new ATOM 0 HD3 LYS A 255 7.569 7.776 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 255 9.021 8.420 -0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 255 8.503 9.591 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 10.769 9.202 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 9.965 8.365 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 10.598 7.515 0.840 1.00 0.00 H new ATOM 464 N THR A 256 10.353 4.711 4.104 1.00 0.00 N ATOM 465 CA THR A 256 11.323 4.025 4.971 1.00 0.00 C ATOM 466 C THR A 256 11.154 2.498 4.933 1.00 0.00 C ATOM 467 O THR A 256 10.374 1.931 5.694 1.00 0.00 O ATOM 468 CB THR A 256 11.291 4.551 6.440 1.00 0.00 C ATOM 469 OG1 THR A 256 9.950 4.550 6.959 1.00 0.00 O ATOM 470 CG2 THR A 256 11.861 5.960 6.512 1.00 0.00 C ATOM 0 H THR A 256 10.776 5.405 3.487 1.00 0.00 H new ATOM 0 HA THR A 256 12.306 4.262 4.564 1.00 0.00 H new ATOM 0 HB THR A 256 11.902 3.882 7.046 1.00 0.00 H new ATOM 0 HG1 THR A 256 9.404 3.912 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 256 11.831 6.312 7.543 1.00 0.00 H new ATOM 0 HG22 THR A 256 12.893 5.954 6.160 1.00 0.00 H new ATOM 0 HG23 THR A 256 11.268 6.625 5.884 1.00 0.00 H new ATOM 477 N PRO A 257 11.874 1.822 4.005 1.00 0.00 N ATOM 478 CA PRO A 257 11.811 0.353 3.827 1.00 0.00 C ATOM 479 C PRO A 257 12.293 -0.453 5.048 1.00 0.00 C ATOM 480 O PRO A 257 13.226 -1.246 4.954 1.00 0.00 O ATOM 481 CB PRO A 257 12.741 0.101 2.626 1.00 0.00 C ATOM 482 CG PRO A 257 12.863 1.419 1.950 1.00 0.00 C ATOM 483 CD PRO A 257 12.791 2.442 3.038 1.00 0.00 C ATOM 0 HA PRO A 257 10.781 0.026 3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 257 13.714 -0.267 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A 257 12.324 -0.650 1.955 1.00 0.00 H new ATOM 0 HG2 PRO A 257 13.804 1.493 1.405 1.00 0.00 H new ATOM 0 HG3 PRO A 257 12.062 1.562 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.770 2.637 3.476 1.00 0.00 H new ATOM 0 HD3 PRO A 257 12.410 3.396 2.673 1.00 0.00 H new ATOM 491 N MET A 258 11.634 -0.257 6.177 1.00 0.00 N ATOM 492 CA MET A 258 11.932 -0.997 7.396 1.00 0.00 C ATOM 493 C MET A 258 11.056 -2.241 7.476 1.00 0.00 C ATOM 494 O MET A 258 10.842 -2.805 8.550 1.00 0.00 O ATOM 495 CB MET A 258 11.699 -0.112 8.630 1.00 0.00 C ATOM 496 CG MET A 258 10.263 0.382 8.782 1.00 0.00 C ATOM 497 SD MET A 258 10.005 1.324 10.302 1.00 0.00 S ATOM 498 CE MET A 258 11.148 2.684 10.060 1.00 0.00 C ATOM 0 H MET A 258 10.877 0.419 6.277 1.00 0.00 H new ATOM 0 HA MET A 258 12.979 -1.298 7.375 1.00 0.00 H new ATOM 0 HB2 MET A 258 11.975 -0.673 9.523 1.00 0.00 H new ATOM 0 HB3 MET A 258 12.364 0.750 8.576 1.00 0.00 H new ATOM 0 HG2 MET A 258 10.005 1.005 7.926 1.00 0.00 H new ATOM 0 HG3 MET A 258 9.586 -0.472 8.770 1.00 0.00 H new ATOM 0 HE1 MET A 258 10.898 3.495 10.744 1.00 0.00 H new ATOM 0 HE2 MET A 258 12.165 2.344 10.256 1.00 0.00 H new ATOM 0 HE3 MET A 258 11.077 3.041 9.033 1.00 0.00 H new ATOM 508 N GLY A 259 10.562 -2.666 6.331 1.00 0.00 N ATOM 509 CA GLY A 259 9.686 -3.807 6.274 1.00 0.00 C ATOM 510 C GLY A 259 8.261 -3.382 6.050 1.00 0.00 C ATOM 511 O GLY A 259 7.631 -3.767 5.058 1.00 0.00 O ATOM 0 H GLY A 259 10.756 -2.234 5.428 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.001 -4.472 5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 259 9.759 -4.373 7.203 1.00 0.00 H new ATOM 515 N MET A 260 7.750 -2.589 6.969 1.00 0.00 N ATOM 516 CA MET A 260 6.401 -2.076 6.878 1.00 0.00 C ATOM 517 C MET A 260 6.401 -0.585 6.566 1.00 0.00 C ATOM 518 O MET A 260 6.990 0.209 7.297 1.00 0.00 O ATOM 519 CB MET A 260 5.619 -2.342 8.172 1.00 0.00 C ATOM 520 CG MET A 260 5.108 -3.775 8.331 1.00 0.00 C ATOM 521 SD MET A 260 6.426 -5.008 8.464 1.00 0.00 S ATOM 522 CE MET A 260 7.229 -4.496 9.983 1.00 0.00 C ATOM 0 H MET A 260 8.258 -2.283 7.799 1.00 0.00 H new ATOM 0 HA MET A 260 5.907 -2.602 6.061 1.00 0.00 H new ATOM 0 HB2 MET A 260 6.259 -2.103 9.022 1.00 0.00 H new ATOM 0 HB3 MET A 260 4.768 -1.662 8.212 1.00 0.00 H new ATOM 0 HG2 MET A 260 4.480 -3.831 9.220 1.00 0.00 H new ATOM 0 HG3 MET A 260 4.476 -4.023 7.478 1.00 0.00 H new ATOM 0 HE1 MET A 260 7.837 -5.315 10.367 1.00 0.00 H new ATOM 0 HE2 MET A 260 7.865 -3.633 9.785 1.00 0.00 H new ATOM 0 HE3 MET A 260 6.473 -4.228 10.722 1.00 0.00 H new ATOM 532 N TRP A 261 5.757 -0.220 5.472 1.00 0.00 N ATOM 533 CA TRP A 261 5.600 1.180 5.094 1.00 0.00 C ATOM 534 C TRP A 261 4.356 1.745 5.750 1.00 0.00 C ATOM 535 O TRP A 261 3.539 0.994 6.290 1.00 0.00 O ATOM 536 CB TRP A 261 5.485 1.330 3.571 1.00 0.00 C ATOM 537 CG TRP A 261 6.795 1.382 2.850 1.00 0.00 C ATOM 538 CD1 TRP A 261 8.034 1.144 3.365 1.00 0.00 C ATOM 539 CD2 TRP A 261 6.992 1.701 1.467 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.988 1.305 2.389 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.373 1.640 1.216 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.130 2.028 0.418 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.914 1.897 -0.039 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.668 2.282 -0.829 1.00 0.00 C ATOM 545 CH2 TRP A 261 8.047 2.215 -1.048 1.00 0.00 C ATOM 0 H TRP A 261 5.329 -0.879 4.821 1.00 0.00 H new ATOM 0 HA TRP A 261 6.481 1.727 5.430 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.903 0.496 3.180 1.00 0.00 H new ATOM 0 HB3 TRP A 261 4.927 2.240 3.350 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.236 0.869 4.390 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.993 1.192 2.519 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.063 2.081 0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.979 1.847 -0.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 6.012 2.537 -1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.436 2.419 -2.035 1.00 0.00 H new ATOM 551 N THR A 262 4.199 3.052 5.697 1.00 0.00 N ATOM 552 CA THR A 262 3.045 3.687 6.286 1.00 0.00 C ATOM 553 C THR A 262 2.230 4.393 5.210 1.00 0.00 C ATOM 554 O THR A 262 2.685 5.380 4.602 1.00 0.00 O ATOM 555 CB THR A 262 3.462 4.698 7.359 1.00 0.00 C ATOM 556 OG1 THR A 262 4.481 4.119 8.186 1.00 0.00 O ATOM 557 CG2 THR A 262 2.273 5.088 8.224 1.00 0.00 C ATOM 0 H THR A 262 4.857 3.692 5.252 1.00 0.00 H new ATOM 0 HA THR A 262 2.437 2.913 6.755 1.00 0.00 H new ATOM 0 HB THR A 262 3.843 5.593 6.866 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.751 4.764 8.872 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.592 5.806 8.979 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.500 5.537 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.873 4.200 8.714 1.00 0.00 H new ATOM 564 N GLY A 263 1.033 3.905 4.982 1.00 0.00 N ATOM 565 CA GLY A 263 0.209 4.471 3.958 1.00 0.00 C ATOM 566 C GLY A 263 -1.215 4.644 4.389 1.00 0.00 C ATOM 567 O GLY A 263 -1.537 4.478 5.561 1.00 0.00 O ATOM 0 H GLY A 263 0.617 3.124 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.615 5.439 3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.242 3.831 3.076 1.00 0.00 H new ATOM 571 N MET A 264 -2.074 4.963 3.443 1.00 0.00 N ATOM 572 CA MET A 264 -3.472 5.187 3.737 1.00 0.00 C ATOM 573 C MET A 264 -4.367 4.483 2.728 1.00 0.00 C ATOM 574 O MET A 264 -4.239 4.685 1.515 1.00 0.00 O ATOM 575 CB MET A 264 -3.786 6.687 3.758 1.00 0.00 C ATOM 576 CG MET A 264 -5.246 7.007 4.050 1.00 0.00 C ATOM 577 SD MET A 264 -5.628 8.765 3.899 1.00 0.00 S ATOM 578 CE MET A 264 -5.204 9.055 2.181 1.00 0.00 C ATOM 0 H MET A 264 -1.826 5.073 2.460 1.00 0.00 H new ATOM 0 HA MET A 264 -3.673 4.769 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 264 -3.161 7.169 4.510 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.515 7.119 2.794 1.00 0.00 H new ATOM 0 HG2 MET A 264 -5.880 6.443 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 264 -5.491 6.673 5.058 1.00 0.00 H new ATOM 0 HE1 MET A 264 -5.767 9.910 1.807 1.00 0.00 H new ATOM 0 HE2 MET A 264 -4.137 9.260 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 264 -5.450 8.172 1.591 1.00 0.00 H new ATOM 588 N LEU A 265 -5.261 3.662 3.236 1.00 0.00 N ATOM 589 CA LEU A 265 -6.224 2.948 2.419 1.00 0.00 C ATOM 590 C LEU A 265 -7.599 3.041 3.077 1.00 0.00 C ATOM 591 O LEU A 265 -7.735 2.784 4.277 1.00 0.00 O ATOM 592 CB LEU A 265 -5.780 1.476 2.220 1.00 0.00 C ATOM 593 CG LEU A 265 -6.712 0.583 1.374 1.00 0.00 C ATOM 594 CD1 LEU A 265 -5.916 -0.480 0.641 1.00 0.00 C ATOM 595 CD2 LEU A 265 -7.751 -0.083 2.250 1.00 0.00 C ATOM 0 H LEU A 265 -5.342 3.469 4.234 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.281 3.401 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.794 1.477 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -5.668 1.018 3.203 1.00 0.00 H new ATOM 0 HG LEU A 265 -7.213 1.220 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -6.592 -1.098 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -5.192 -0.002 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.391 -1.104 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -8.398 -0.708 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -7.254 -0.701 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -8.350 0.680 2.748 1.00 0.00 H new ATOM 607 N ASN A 266 -8.605 3.433 2.295 1.00 0.00 N ATOM 608 CA ASN A 266 -9.977 3.628 2.795 1.00 0.00 C ATOM 609 C ASN A 266 -10.021 4.724 3.849 1.00 0.00 C ATOM 610 O ASN A 266 -10.744 4.618 4.842 1.00 0.00 O ATOM 611 CB ASN A 266 -10.585 2.321 3.339 1.00 0.00 C ATOM 612 CG ASN A 266 -11.015 1.382 2.230 1.00 0.00 C ATOM 613 OD1 ASN A 266 -11.375 1.822 1.136 1.00 0.00 O ATOM 614 ND2 ASN A 266 -10.991 0.091 2.498 1.00 0.00 N ATOM 0 H ASN A 266 -8.498 3.625 1.299 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.586 3.940 1.947 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.854 1.820 3.974 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -11.445 2.556 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -11.277 -0.583 1.788 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -10.687 -0.234 3.416 1.00 0.00 H new ATOM 621 N ASN A 267 -9.234 5.781 3.610 1.00 0.00 N ATOM 622 CA ASN A 267 -9.156 6.967 4.493 1.00 0.00 C ATOM 623 C ASN A 267 -8.450 6.652 5.816 1.00 0.00 C ATOM 624 O ASN A 267 -8.330 7.512 6.686 1.00 0.00 O ATOM 625 CB ASN A 267 -10.557 7.557 4.757 1.00 0.00 C ATOM 626 CG ASN A 267 -10.513 8.980 5.302 1.00 0.00 C ATOM 627 OD1 ASN A 267 -9.605 9.751 4.985 1.00 0.00 O ATOM 628 ND2 ASN A 267 -11.487 9.335 6.122 1.00 0.00 N ATOM 0 H ASN A 267 -8.626 5.844 2.793 1.00 0.00 H new ATOM 0 HA ASN A 267 -8.558 7.713 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.130 7.547 3.830 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -11.086 6.919 5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -11.504 10.276 6.516 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -12.221 8.668 6.361 1.00 0.00 H new ATOM 635 N LYS A 268 -7.971 5.431 5.960 1.00 0.00 N ATOM 636 CA LYS A 268 -7.284 5.034 7.172 1.00 0.00 C ATOM 637 C LYS A 268 -5.792 4.862 6.936 1.00 0.00 C ATOM 638 O LYS A 268 -5.374 4.276 5.937 1.00 0.00 O ATOM 639 CB LYS A 268 -7.857 3.733 7.733 1.00 0.00 C ATOM 640 CG LYS A 268 -7.021 3.178 8.868 1.00 0.00 C ATOM 641 CD LYS A 268 -7.498 1.830 9.337 1.00 0.00 C ATOM 642 CE LYS A 268 -6.433 1.169 10.195 1.00 0.00 C ATOM 643 NZ LYS A 268 -6.019 2.022 11.339 1.00 0.00 N ATOM 0 H LYS A 268 -8.045 4.699 5.254 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.437 5.834 7.896 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.873 3.909 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.920 2.993 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.983 3.099 8.544 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -7.042 3.877 9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.420 1.940 9.908 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -7.729 1.198 8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -6.812 0.219 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -5.562 0.944 9.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -5.450 1.459 12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -5.453 2.821 10.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -6.864 2.384 11.826 1.00 0.00 H new ATOM 646 N VAL A 269 -5.001 5.374 7.858 1.00 0.00 N ATOM 647 CA VAL A 269 -3.564 5.227 7.802 1.00 0.00 C ATOM 648 C VAL A 269 -3.140 3.951 8.541 1.00 0.00 C ATOM 649 O VAL A 269 -3.652 3.650 9.624 1.00 0.00 O ATOM 650 CB VAL A 269 -2.846 6.462 8.416 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.318 6.722 9.840 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.336 6.281 8.381 1.00 0.00 C ATOM 0 H VAL A 269 -5.337 5.902 8.664 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.271 5.153 6.755 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.104 7.331 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -2.798 7.591 10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.392 6.910 9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.102 5.851 10.459 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -0.854 7.157 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.062 5.395 8.954 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.008 6.161 7.349 1.00 0.00 H new ATOM 662 N GLY A 270 -2.244 3.191 7.939 1.00 0.00 N ATOM 663 CA GLY A 270 -1.771 1.979 8.566 1.00 0.00 C ATOM 664 C GLY A 270 -0.454 1.513 7.990 1.00 0.00 C ATOM 665 O GLY A 270 0.083 2.136 7.066 1.00 0.00 O ATOM 0 H GLY A 270 -1.835 3.391 7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.658 2.147 9.637 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.517 1.194 8.443 1.00 0.00 H new ATOM 669 N ASN A 271 0.066 0.424 8.528 1.00 0.00 N ATOM 670 CA ASN A 271 1.337 -0.125 8.076 1.00 0.00 C ATOM 671 C ASN A 271 1.136 -1.420 7.292 1.00 0.00 C ATOM 672 O ASN A 271 0.230 -2.200 7.582 1.00 0.00 O ATOM 673 CB ASN A 271 2.302 -0.338 9.262 1.00 0.00 C ATOM 674 CG ASN A 271 1.685 -1.085 10.443 1.00 0.00 C ATOM 675 OD1 ASN A 271 0.770 -1.890 10.292 1.00 0.00 O ATOM 676 ND2 ASN A 271 2.189 -0.815 11.630 1.00 0.00 N ATOM 0 H ASN A 271 -0.374 -0.102 9.283 1.00 0.00 H new ATOM 0 HA ASN A 271 1.790 0.602 7.401 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.174 -0.891 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.657 0.633 9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.819 -1.280 12.459 1.00 0.00 H new ATOM 0 HD22 ASN A 271 2.949 -0.141 11.720 1.00 0.00 H new ATOM 683 N PHE A 272 1.975 -1.630 6.290 1.00 0.00 N ATOM 684 CA PHE A 272 1.874 -2.809 5.432 1.00 0.00 C ATOM 685 C PHE A 272 3.239 -3.174 4.859 1.00 0.00 C ATOM 686 O PHE A 272 4.146 -2.345 4.832 1.00 0.00 O ATOM 687 CB PHE A 272 0.901 -2.525 4.275 1.00 0.00 C ATOM 688 CG PHE A 272 1.327 -1.367 3.396 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.043 -0.059 3.762 1.00 0.00 C ATOM 690 CD2 PHE A 272 2.015 -1.588 2.214 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.435 0.999 2.969 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.409 -0.531 1.416 1.00 0.00 C ATOM 693 CZ PHE A 272 2.119 0.764 1.794 1.00 0.00 C ATOM 0 H PHE A 272 2.738 -0.998 6.047 1.00 0.00 H new ATOM 0 HA PHE A 272 1.506 -3.642 6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.808 -3.421 3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.087 -2.315 4.685 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.508 0.133 4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 272 2.246 -2.599 1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.207 2.011 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.944 -0.718 0.497 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.427 1.591 1.172 1.00 0.00 H new ATOM 699 N LYS A 273 3.386 -4.410 4.402 1.00 0.00 N ATOM 700 CA LYS A 273 4.626 -4.826 3.766 1.00 0.00 C ATOM 701 C LYS A 273 4.677 -4.302 2.334 1.00 0.00 C ATOM 702 O LYS A 273 3.936 -4.767 1.463 1.00 0.00 O ATOM 703 CB LYS A 273 4.795 -6.352 3.784 1.00 0.00 C ATOM 704 CG LYS A 273 5.280 -6.925 5.110 1.00 0.00 C ATOM 705 CD LYS A 273 4.132 -7.309 6.031 1.00 0.00 C ATOM 706 CE LYS A 273 4.664 -7.917 7.322 1.00 0.00 C ATOM 707 NZ LYS A 273 3.592 -8.524 8.151 1.00 0.00 N ATOM 0 H LYS A 273 2.670 -5.134 4.459 1.00 0.00 H new ATOM 0 HA LYS A 273 5.452 -4.401 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 273 3.839 -6.812 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 273 5.500 -6.635 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.898 -7.802 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 273 5.913 -6.192 5.610 1.00 0.00 H new ATOM 0 HD2 LYS A 273 3.530 -6.429 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 273 3.478 -8.022 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 273 5.407 -8.677 7.082 1.00 0.00 H new ATOM 0 HE3 LYS A 273 5.173 -7.145 7.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 4.007 -8.923 9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 2.895 -7.795 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 3.122 -9.280 7.612 1.00 0.00 H new ATOM 710 N PHE A 274 5.550 -3.327 2.108 1.00 0.00 N ATOM 711 CA PHE A 274 5.684 -2.660 0.804 1.00 0.00 C ATOM 712 C PHE A 274 5.943 -3.632 -0.346 1.00 0.00 C ATOM 713 O PHE A 274 5.626 -3.336 -1.490 1.00 0.00 O ATOM 714 CB PHE A 274 6.785 -1.591 0.848 1.00 0.00 C ATOM 715 CG PHE A 274 8.165 -2.116 1.160 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.590 -2.247 2.469 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.035 -2.468 0.141 1.00 0.00 C ATOM 718 CE1 PHE A 274 9.855 -2.721 2.757 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.298 -2.942 0.424 1.00 0.00 C ATOM 720 CZ PHE A 274 10.709 -3.069 1.734 1.00 0.00 C ATOM 0 H PHE A 274 6.188 -2.971 2.820 1.00 0.00 H new ATOM 0 HA PHE A 274 4.723 -2.185 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 274 6.815 -1.081 -0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.518 -0.845 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 274 7.925 -1.976 3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.720 -2.370 -0.887 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.174 -2.819 3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.966 -3.214 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.698 -3.440 1.957 1.00 0.00 H new ATOM 726 N ILE A 275 6.530 -4.771 -0.048 1.00 0.00 N ATOM 727 CA ILE A 275 6.826 -5.769 -1.070 1.00 0.00 C ATOM 728 C ILE A 275 5.566 -6.261 -1.809 1.00 0.00 C ATOM 729 O ILE A 275 5.666 -6.804 -2.903 1.00 0.00 O ATOM 730 CB ILE A 275 7.587 -6.974 -0.476 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.787 -7.600 0.672 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.968 -6.538 0.002 1.00 0.00 C ATOM 733 CD1 ILE A 275 7.456 -8.802 1.303 1.00 0.00 C ATOM 0 H ILE A 275 6.815 -5.036 0.895 1.00 0.00 H new ATOM 0 HA ILE A 275 7.462 -5.268 -1.800 1.00 0.00 H new ATOM 0 HB ILE A 275 7.712 -7.728 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 275 6.621 -6.845 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.807 -7.897 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 275 9.496 -7.395 0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.534 -6.137 -0.839 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.862 -5.770 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.828 -9.188 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 275 7.598 -9.577 0.550 1.00 0.00 H new ATOM 0 HD13 ILE A 275 8.424 -8.508 1.708 1.00 0.00 H new ATOM 744 N TYR A 276 4.391 -6.071 -1.211 1.00 0.00 N ATOM 745 CA TYR A 276 3.140 -6.504 -1.838 1.00 0.00 C ATOM 746 C TYR A 276 2.537 -5.418 -2.726 1.00 0.00 C ATOM 747 O TYR A 276 1.550 -5.658 -3.434 1.00 0.00 O ATOM 748 CB TYR A 276 2.122 -6.907 -0.776 1.00 0.00 C ATOM 749 CG TYR A 276 2.493 -8.141 0.004 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.286 -9.404 -0.523 1.00 0.00 C ATOM 751 CD2 TYR A 276 3.036 -8.044 1.271 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.606 -10.536 0.193 1.00 0.00 C ATOM 753 CE2 TYR A 276 3.365 -9.169 1.995 1.00 0.00 C ATOM 754 CZ TYR A 276 3.145 -10.414 1.449 1.00 0.00 C ATOM 755 OH TYR A 276 3.463 -11.544 2.170 1.00 0.00 O ATOM 0 H TYR A 276 4.277 -5.624 -0.301 1.00 0.00 H new ATOM 0 HA TYR A 276 3.381 -7.362 -2.465 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.993 -6.078 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 276 1.158 -7.072 -1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 276 1.866 -9.503 -1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 276 3.206 -7.068 1.702 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.434 -11.514 -0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 276 3.792 -9.075 2.983 1.00 0.00 H new ATOM 0 HH TYR A 276 3.836 -11.284 3.038 1.00 0.00 H new ATOM 761 N VAL A 277 3.103 -4.227 -2.684 1.00 0.00 N ATOM 762 CA VAL A 277 2.582 -3.132 -3.483 1.00 0.00 C ATOM 763 C VAL A 277 3.527 -2.781 -4.618 1.00 0.00 C ATOM 764 O VAL A 277 4.642 -3.305 -4.704 1.00 0.00 O ATOM 765 CB VAL A 277 2.291 -1.862 -2.634 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.374 -2.193 -1.468 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.580 -1.213 -2.143 1.00 0.00 C ATOM 0 H VAL A 277 3.915 -3.993 -2.112 1.00 0.00 H new ATOM 0 HA VAL A 277 1.637 -3.482 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 277 1.783 -1.142 -3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.183 -1.290 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.431 -2.586 -1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.849 -2.940 -0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.340 -0.328 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.132 -1.922 -1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.191 -0.924 -2.998 1.00 0.00 H new ATOM 777 N ASP A 278 3.078 -1.913 -5.490 1.00 0.00 N ATOM 778 CA ASP A 278 3.876 -1.468 -6.607 1.00 0.00 C ATOM 779 C ASP A 278 3.787 0.040 -6.726 1.00 0.00 C ATOM 780 O ASP A 278 2.690 0.604 -6.727 1.00 0.00 O ATOM 781 CB ASP A 278 3.406 -2.135 -7.895 1.00 0.00 C ATOM 782 CG ASP A 278 4.287 -1.800 -9.071 1.00 0.00 C ATOM 783 OD1 ASP A 278 5.518 -1.733 -8.894 1.00 0.00 O ATOM 784 OD2 ASP A 278 3.757 -1.636 -10.183 1.00 0.00 O ATOM 0 H ASP A 278 2.149 -1.494 -5.446 1.00 0.00 H new ATOM 0 HA ASP A 278 4.915 -1.750 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 278 3.387 -3.216 -7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 278 2.384 -1.824 -8.110 1.00 0.00 H new ATOM 787 N VAL A 279 4.932 0.688 -6.818 1.00 0.00 N ATOM 788 CA VAL A 279 4.979 2.141 -6.876 1.00 0.00 C ATOM 789 C VAL A 279 4.584 2.666 -8.252 1.00 0.00 C ATOM 790 O VAL A 279 5.329 2.540 -9.225 1.00 0.00 O ATOM 791 CB VAL A 279 6.363 2.704 -6.459 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.542 2.600 -4.951 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.490 1.970 -7.174 1.00 0.00 C ATOM 0 H VAL A 279 5.844 0.233 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 279 4.246 2.497 -6.152 1.00 0.00 H new ATOM 0 HB VAL A 279 6.403 3.754 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.517 2.999 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 279 5.760 3.172 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.477 1.555 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.449 2.385 -6.863 1.00 0.00 H new ATOM 0 HG22 VAL A 279 7.453 0.911 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.375 2.089 -8.251 1.00 0.00 H new ATOM 803 N ILE A 280 3.399 3.242 -8.321 1.00 0.00 N ATOM 804 CA ILE A 280 2.872 3.791 -9.558 1.00 0.00 C ATOM 805 C ILE A 280 2.199 5.121 -9.290 1.00 0.00 C ATOM 806 O ILE A 280 2.002 5.499 -8.133 1.00 0.00 O ATOM 807 CB ILE A 280 1.866 2.813 -10.247 1.00 0.00 C ATOM 808 CG1 ILE A 280 0.776 2.323 -9.267 1.00 0.00 C ATOM 809 CG2 ILE A 280 2.600 1.633 -10.852 1.00 0.00 C ATOM 810 CD1 ILE A 280 -0.368 3.300 -9.049 1.00 0.00 C ATOM 0 H ILE A 280 2.774 3.343 -7.522 1.00 0.00 H new ATOM 0 HA ILE A 280 3.711 3.936 -10.238 1.00 0.00 H new ATOM 0 HB ILE A 280 1.368 3.367 -11.043 1.00 0.00 H new ATOM 0 HG12 ILE A 280 0.367 1.384 -9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 280 1.241 2.109 -8.305 1.00 0.00 H new ATOM 0 HG21 ILE A 280 1.883 0.963 -11.327 1.00 0.00 H new ATOM 0 HG22 ILE A 280 3.312 1.990 -11.597 1.00 0.00 H new ATOM 0 HG23 ILE A 280 3.134 1.096 -10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -1.084 2.871 -8.347 1.00 0.00 H new ATOM 0 HD12 ILE A 280 0.023 4.233 -8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 280 -0.865 3.497 -9.999 1.00 0.00 H new