USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 254 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 256 THR OG1 : rot 147:sc= 0.0306 USER MOD Set 2.1: A 229 HIS : no HD1:sc= 0.808 K(o=1.8,f=-1.4) USER MOD Set 2.2: A 230 THR OG1 : rot 64:sc= 0.981 USER MOD Single : A 233 THR OG1 : rot 180:sc= 0 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 USER MOD Single : A 241 SER OG : rot 71:sc= 1.24 USER MOD Single : A 243 LYS NZ :NH3+ 140:sc= 2.07 (180deg=0.463) USER MOD Single : A 245 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00853) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 258 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 260 MET CE :methyl 163:sc= -0.192 (180deg=-0.678) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 266 ASN : amide:sc= -3.39! K(o=-3.4!,f=-0.51) USER MOD Single : A 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.19) USER MOD Single : A 271 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 5.279 8.155 -6.117 1.00 0.00 N ATOM 49 CA GLY A 224 4.097 8.880 -5.714 1.00 0.00 C ATOM 50 C GLY A 224 3.337 8.140 -4.646 1.00 0.00 C ATOM 51 O GLY A 224 3.473 8.435 -3.457 1.00 0.00 O ATOM 0 HA2 GLY A 224 4.381 9.865 -5.344 1.00 0.00 H new ATOM 0 HA3 GLY A 224 3.452 9.038 -6.579 1.00 0.00 H new ATOM 55 N ARG A 225 2.554 7.170 -5.064 1.00 0.00 N ATOM 56 CA ARG A 225 1.790 6.355 -4.145 1.00 0.00 C ATOM 57 C ARG A 225 1.934 4.891 -4.516 1.00 0.00 C ATOM 58 O ARG A 225 2.515 4.566 -5.555 1.00 0.00 O ATOM 59 CB ARG A 225 0.321 6.786 -4.108 1.00 0.00 C ATOM 60 CG ARG A 225 -0.372 6.793 -5.457 1.00 0.00 C ATOM 61 CD ARG A 225 -1.765 7.380 -5.337 1.00 0.00 C ATOM 62 NE ARG A 225 -2.495 7.341 -6.599 1.00 0.00 N ATOM 63 CZ ARG A 225 -3.776 7.689 -6.734 1.00 0.00 C ATOM 64 NH1 ARG A 225 -4.455 8.159 -5.687 1.00 0.00 N ATOM 65 NH2 ARG A 225 -4.367 7.592 -7.917 1.00 0.00 N ATOM 0 H ARG A 225 2.429 6.925 -6.046 1.00 0.00 H new ATOM 0 HA ARG A 225 2.185 6.496 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 225 -0.222 6.119 -3.439 1.00 0.00 H new ATOM 0 HB3 ARG A 225 0.261 7.786 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 225 0.213 7.374 -6.170 1.00 0.00 H new ATOM 0 HG3 ARG A 225 -0.432 5.777 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -2.324 6.830 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.693 8.412 -4.994 1.00 0.00 H new ATOM 0 HE ARG A 225 -1.995 7.028 -7.431 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -3.995 8.253 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -5.434 8.425 -5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -3.842 7.252 -8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -5.346 7.858 -8.021 1.00 0.00 H new ATOM 68 N ALA A 226 1.418 4.009 -3.691 1.00 0.00 N ATOM 69 CA ALA A 226 1.602 2.593 -3.921 1.00 0.00 C ATOM 70 C ALA A 226 0.294 1.875 -4.175 1.00 0.00 C ATOM 71 O ALA A 226 -0.631 1.937 -3.370 1.00 0.00 O ATOM 72 CB ALA A 226 2.329 1.962 -2.747 1.00 0.00 C ATOM 0 H ALA A 226 0.872 4.243 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 226 2.206 2.488 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.462 0.896 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.304 2.434 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.744 2.103 -1.838 1.00 0.00 H new ATOM 78 N ARG A 227 0.210 1.215 -5.307 1.00 0.00 N ATOM 79 CA ARG A 227 -0.935 0.397 -5.617 1.00 0.00 C ATOM 80 C ARG A 227 -0.639 -1.029 -5.206 1.00 0.00 C ATOM 81 O ARG A 227 0.369 -1.602 -5.620 1.00 0.00 O ATOM 82 CB ARG A 227 -1.264 0.451 -7.113 1.00 0.00 C ATOM 83 CG ARG A 227 -2.420 -0.454 -7.519 1.00 0.00 C ATOM 84 CD ARG A 227 -2.661 -0.430 -9.019 1.00 0.00 C ATOM 85 NE ARG A 227 -3.056 0.894 -9.506 1.00 0.00 N ATOM 86 CZ ARG A 227 -3.712 1.099 -10.653 1.00 0.00 C ATOM 87 NH1 ARG A 227 -4.060 0.064 -11.417 1.00 0.00 N ATOM 88 NH2 ARG A 227 -4.021 2.333 -11.035 1.00 0.00 N ATOM 0 H ARG A 227 0.928 1.231 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.800 0.775 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.505 1.478 -7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.377 0.170 -7.681 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.210 -1.475 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.326 -0.140 -7.001 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -1.754 -0.746 -9.534 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -3.438 -1.152 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 227 -2.817 1.706 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -3.826 -0.885 -11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -4.560 0.221 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -3.758 3.128 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -4.521 2.486 -11.911 1.00 0.00 H new ATOM 91 N VAL A 228 -1.486 -1.592 -4.386 1.00 0.00 N ATOM 92 CA VAL A 228 -1.280 -2.945 -3.932 1.00 0.00 C ATOM 93 C VAL A 228 -1.732 -3.942 -5.000 1.00 0.00 C ATOM 94 O VAL A 228 -2.737 -3.727 -5.671 1.00 0.00 O ATOM 95 CB VAL A 228 -1.988 -3.212 -2.580 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.472 -2.924 -2.665 1.00 0.00 C ATOM 97 CG2 VAL A 228 -1.731 -4.633 -2.111 1.00 0.00 C ATOM 0 H VAL A 228 -2.323 -1.138 -4.019 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.212 -3.081 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.567 -2.529 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -3.937 -3.122 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.625 -1.879 -2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -3.924 -3.564 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.237 -4.799 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.112 -5.335 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -0.659 -4.786 -1.983 1.00 0.00 H new ATOM 107 N HIS A 229 -0.988 -5.032 -5.145 1.00 0.00 N ATOM 108 CA HIS A 229 -1.279 -6.020 -6.185 1.00 0.00 C ATOM 109 C HIS A 229 -1.443 -7.414 -5.597 1.00 0.00 C ATOM 110 O HIS A 229 -1.828 -8.349 -6.292 1.00 0.00 O ATOM 111 CB HIS A 229 -0.189 -6.022 -7.281 1.00 0.00 C ATOM 112 CG HIS A 229 1.221 -6.201 -6.772 1.00 0.00 C ATOM 113 ND1 HIS A 229 1.740 -7.415 -6.381 1.00 0.00 N ATOM 114 CD2 HIS A 229 2.218 -5.303 -6.604 1.00 0.00 C ATOM 115 CE1 HIS A 229 2.992 -7.255 -5.996 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.306 -5.983 -6.121 1.00 0.00 N ATOM 0 H HIS A 229 -0.182 -5.256 -4.561 1.00 0.00 H new ATOM 0 HA HIS A 229 -2.224 -5.732 -6.645 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -0.408 -6.820 -7.990 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -0.245 -5.083 -7.831 1.00 0.00 H new ATOM 0 HD2 HIS A 229 2.167 -4.244 -6.812 1.00 0.00 H new ATOM 0 HE1 HIS A 229 3.648 -8.035 -5.639 1.00 0.00 H new ATOM 0 HE2 HIS A 229 4.211 -5.570 -5.895 1.00 0.00 H new ATOM 121 N THR A 230 -1.158 -7.542 -4.324 1.00 0.00 N ATOM 122 CA THR A 230 -1.270 -8.811 -3.644 1.00 0.00 C ATOM 123 C THR A 230 -2.050 -8.633 -2.350 1.00 0.00 C ATOM 124 O THR A 230 -1.724 -7.765 -1.543 1.00 0.00 O ATOM 125 CB THR A 230 0.126 -9.393 -3.336 1.00 0.00 C ATOM 126 OG1 THR A 230 0.884 -9.499 -4.552 1.00 0.00 O ATOM 127 CG2 THR A 230 0.016 -10.767 -2.685 1.00 0.00 C ATOM 0 H THR A 230 -0.843 -6.774 -3.732 1.00 0.00 H new ATOM 0 HA THR A 230 -1.798 -9.507 -4.296 1.00 0.00 H new ATOM 0 HB THR A 230 0.630 -8.721 -2.641 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.034 -8.604 -4.923 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.014 -11.153 -2.479 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.541 -10.684 -1.751 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.505 -11.448 -3.358 1.00 0.00 H new ATOM 134 N ASP A 231 -3.085 -9.441 -2.169 1.00 0.00 N ATOM 135 CA ASP A 231 -3.926 -9.352 -0.982 1.00 0.00 C ATOM 136 C ASP A 231 -3.162 -9.742 0.283 1.00 0.00 C ATOM 137 O ASP A 231 -2.182 -10.496 0.235 1.00 0.00 O ATOM 138 CB ASP A 231 -5.191 -10.209 -1.138 1.00 0.00 C ATOM 139 CG ASP A 231 -4.891 -11.681 -1.323 1.00 0.00 C ATOM 140 OD1 ASP A 231 -4.527 -12.081 -2.449 1.00 0.00 O ATOM 141 OD2 ASP A 231 -5.027 -12.452 -0.347 1.00 0.00 O ATOM 0 H ASP A 231 -3.363 -10.167 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 231 -4.228 -8.310 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.821 -10.080 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.763 -9.850 -1.994 1.00 0.00 H new ATOM 144 N PHE A 232 -3.647 -9.250 1.406 1.00 0.00 N ATOM 145 CA PHE A 232 -3.008 -9.450 2.696 1.00 0.00 C ATOM 146 C PHE A 232 -3.956 -9.038 3.816 1.00 0.00 C ATOM 147 O PHE A 232 -4.616 -8.004 3.731 1.00 0.00 O ATOM 148 CB PHE A 232 -1.694 -8.647 2.761 1.00 0.00 C ATOM 149 CG PHE A 232 -1.076 -8.549 4.127 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.400 -9.622 4.678 1.00 0.00 C ATOM 151 CD2 PHE A 232 -1.166 -7.373 4.857 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.172 -9.527 5.930 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.597 -7.272 6.108 1.00 0.00 C ATOM 154 CZ PHE A 232 0.074 -8.350 6.647 1.00 0.00 C ATOM 0 H PHE A 232 -4.502 -8.696 1.451 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.770 -10.506 2.822 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.972 -9.105 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.883 -7.639 2.391 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.319 -10.545 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -1.689 -6.525 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.696 -10.373 6.350 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -0.676 -6.350 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.522 -8.274 7.627 1.00 0.00 H new ATOM 160 N THR A 233 -4.018 -9.842 4.858 1.00 0.00 N ATOM 161 CA THR A 233 -4.908 -9.568 5.960 1.00 0.00 C ATOM 162 C THR A 233 -4.394 -10.211 7.251 1.00 0.00 C ATOM 163 O THR A 233 -3.916 -11.352 7.235 1.00 0.00 O ATOM 164 CB THR A 233 -6.370 -10.030 5.674 1.00 0.00 C ATOM 165 OG1 THR A 233 -7.207 -9.759 6.812 1.00 0.00 O ATOM 166 CG2 THR A 233 -6.430 -11.514 5.342 1.00 0.00 C ATOM 0 H THR A 233 -3.461 -10.690 4.962 1.00 0.00 H new ATOM 0 HA THR A 233 -4.926 -8.485 6.084 1.00 0.00 H new ATOM 0 HB THR A 233 -6.731 -9.470 4.811 1.00 0.00 H new ATOM 0 HG1 THR A 233 -8.123 -10.051 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 233 -7.463 -11.802 5.148 1.00 0.00 H new ATOM 0 HG22 THR A 233 -5.826 -11.714 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 233 -6.044 -12.091 6.183 1.00 0.00 H new ATOM 173 N PRO A 234 -4.438 -9.481 8.373 1.00 0.00 N ATOM 174 CA PRO A 234 -4.105 -10.026 9.676 1.00 0.00 C ATOM 175 C PRO A 234 -5.339 -10.697 10.296 1.00 0.00 C ATOM 176 O PRO A 234 -6.240 -11.144 9.572 1.00 0.00 O ATOM 177 CB PRO A 234 -3.698 -8.780 10.495 1.00 0.00 C ATOM 178 CG PRO A 234 -3.901 -7.601 9.586 1.00 0.00 C ATOM 179 CD PRO A 234 -4.780 -8.068 8.469 1.00 0.00 C ATOM 0 HA PRO A 234 -3.322 -10.783 9.640 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -4.307 -8.688 11.394 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -2.660 -8.848 10.819 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -4.364 -6.773 10.123 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -2.947 -7.239 9.203 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.836 -7.920 8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -4.574 -7.536 7.540 1.00 0.00 H new ATOM 187 N SER A 235 -5.382 -10.766 11.613 1.00 0.00 N ATOM 188 CA SER A 235 -6.518 -11.342 12.313 1.00 0.00 C ATOM 189 C SER A 235 -7.762 -10.444 12.155 1.00 0.00 C ATOM 190 O SER A 235 -7.638 -9.252 11.878 1.00 0.00 O ATOM 191 CB SER A 235 -6.171 -11.504 13.790 1.00 0.00 C ATOM 192 OG SER A 235 -5.019 -12.310 13.958 1.00 0.00 O ATOM 0 H SER A 235 -4.639 -10.428 12.224 1.00 0.00 H new ATOM 0 HA SER A 235 -6.745 -12.318 11.884 1.00 0.00 H new ATOM 0 HB2 SER A 235 -6.001 -10.524 14.236 1.00 0.00 H new ATOM 0 HB3 SER A 235 -7.013 -11.953 14.317 1.00 0.00 H new ATOM 0 HG SER A 235 -4.817 -12.397 14.913 1.00 0.00 H new ATOM 198 N PRO A 236 -8.977 -11.010 12.314 1.00 0.00 N ATOM 199 CA PRO A 236 -10.226 -10.242 12.204 1.00 0.00 C ATOM 200 C PRO A 236 -10.290 -9.088 13.214 1.00 0.00 C ATOM 201 O PRO A 236 -10.742 -7.991 12.895 1.00 0.00 O ATOM 202 CB PRO A 236 -11.322 -11.282 12.501 1.00 0.00 C ATOM 203 CG PRO A 236 -10.613 -12.423 13.155 1.00 0.00 C ATOM 204 CD PRO A 236 -9.232 -12.435 12.580 1.00 0.00 C ATOM 0 HA PRO A 236 -10.327 -9.771 11.226 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -12.090 -10.869 13.155 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -11.821 -11.601 11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -10.584 -12.295 14.237 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -11.125 -13.365 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -8.507 -12.852 13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -9.178 -13.032 11.670 1.00 0.00 H new ATOM 212 N TYR A 237 -9.818 -9.343 14.431 1.00 0.00 N ATOM 213 CA TYR A 237 -9.815 -8.332 15.496 1.00 0.00 C ATOM 214 C TYR A 237 -8.696 -7.289 15.311 1.00 0.00 C ATOM 215 O TYR A 237 -8.281 -6.633 16.263 1.00 0.00 O ATOM 216 CB TYR A 237 -9.712 -9.001 16.878 1.00 0.00 C ATOM 217 CG TYR A 237 -8.455 -9.823 17.107 1.00 0.00 C ATOM 218 CD1 TYR A 237 -8.392 -11.154 16.722 1.00 0.00 C ATOM 219 CD2 TYR A 237 -7.343 -9.269 17.728 1.00 0.00 C ATOM 220 CE1 TYR A 237 -7.259 -11.910 16.949 1.00 0.00 C ATOM 221 CE2 TYR A 237 -6.207 -10.017 17.951 1.00 0.00 C ATOM 222 CZ TYR A 237 -6.169 -11.335 17.562 1.00 0.00 C ATOM 223 OH TYR A 237 -5.039 -12.084 17.798 1.00 0.00 O ATOM 0 H TYR A 237 -9.430 -10.244 14.710 1.00 0.00 H new ATOM 0 HA TYR A 237 -10.763 -7.797 15.433 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -9.765 -8.227 17.643 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -10.579 -9.647 17.017 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -9.244 -11.607 16.236 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -7.369 -8.236 18.041 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -7.228 -12.947 16.647 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -5.349 -9.569 18.430 1.00 0.00 H new ATOM 0 HH TYR A 237 -4.363 -11.527 18.237 1.00 0.00 H new ATOM 229 N ASP A 238 -8.244 -7.125 14.087 1.00 0.00 N ATOM 230 CA ASP A 238 -7.183 -6.178 13.787 1.00 0.00 C ATOM 231 C ASP A 238 -7.753 -4.839 13.354 1.00 0.00 C ATOM 232 O ASP A 238 -8.564 -4.774 12.432 1.00 0.00 O ATOM 233 CB ASP A 238 -6.270 -6.712 12.693 1.00 0.00 C ATOM 234 CG ASP A 238 -5.365 -5.638 12.141 1.00 0.00 C ATOM 235 OD1 ASP A 238 -4.360 -5.308 12.808 1.00 0.00 O ATOM 236 OD2 ASP A 238 -5.669 -5.102 11.048 1.00 0.00 O ATOM 0 H ASP A 238 -8.594 -7.636 13.277 1.00 0.00 H new ATOM 0 HA ASP A 238 -6.604 -6.040 14.700 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -5.665 -7.527 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -6.874 -7.127 11.887 1.00 0.00 H new ATOM 239 N THR A 239 -7.367 -3.783 14.040 1.00 0.00 N ATOM 240 CA THR A 239 -7.797 -2.447 13.666 1.00 0.00 C ATOM 241 C THR A 239 -6.588 -1.516 13.413 1.00 0.00 C ATOM 242 O THR A 239 -6.719 -0.469 12.779 1.00 0.00 O ATOM 243 CB THR A 239 -8.688 -1.840 14.775 1.00 0.00 C ATOM 244 OG1 THR A 239 -9.598 -2.841 15.263 1.00 0.00 O ATOM 245 CG2 THR A 239 -9.487 -0.657 14.247 1.00 0.00 C ATOM 0 H THR A 239 -6.758 -3.821 14.857 1.00 0.00 H new ATOM 0 HA THR A 239 -8.369 -2.532 12.742 1.00 0.00 H new ATOM 0 HB THR A 239 -8.041 -1.494 15.581 1.00 0.00 H new ATOM 0 HG1 THR A 239 -10.161 -2.456 15.967 1.00 0.00 H new ATOM 0 HG21 THR A 239 -10.105 -0.249 15.047 1.00 0.00 H new ATOM 0 HG22 THR A 239 -8.804 0.113 13.888 1.00 0.00 H new ATOM 0 HG23 THR A 239 -10.126 -0.986 13.427 1.00 0.00 H new ATOM 252 N ASP A 240 -5.414 -1.926 13.873 1.00 0.00 N ATOM 253 CA ASP A 240 -4.213 -1.082 13.782 1.00 0.00 C ATOM 254 C ASP A 240 -3.441 -1.263 12.468 1.00 0.00 C ATOM 255 O ASP A 240 -2.703 -0.368 12.045 1.00 0.00 O ATOM 256 CB ASP A 240 -3.292 -1.350 14.973 1.00 0.00 C ATOM 257 CG ASP A 240 -1.980 -0.595 14.885 1.00 0.00 C ATOM 258 OD1 ASP A 240 -1.976 0.635 15.103 1.00 0.00 O ATOM 259 OD2 ASP A 240 -0.943 -1.235 14.608 1.00 0.00 O ATOM 0 H ASP A 240 -5.260 -2.833 14.313 1.00 0.00 H new ATOM 0 HA ASP A 240 -4.557 -0.048 13.800 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -3.805 -1.071 15.893 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -3.087 -2.419 15.034 1.00 0.00 H new ATOM 262 N SER A 241 -3.623 -2.391 11.811 1.00 0.00 N ATOM 263 CA SER A 241 -2.880 -2.664 10.590 1.00 0.00 C ATOM 264 C SER A 241 -3.636 -2.138 9.370 1.00 0.00 C ATOM 265 O SER A 241 -4.541 -1.297 9.502 1.00 0.00 O ATOM 266 CB SER A 241 -2.625 -4.160 10.462 1.00 0.00 C ATOM 267 OG SER A 241 -2.105 -4.681 11.671 1.00 0.00 O ATOM 0 H SER A 241 -4.270 -3.127 12.095 1.00 0.00 H new ATOM 0 HA SER A 241 -1.921 -2.148 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 241 -3.553 -4.672 10.208 1.00 0.00 H new ATOM 0 HB3 SER A 241 -1.925 -4.347 9.648 1.00 0.00 H new ATOM 0 HG SER A 241 -2.809 -4.692 12.352 1.00 0.00 H new ATOM 273 N LEU A 242 -3.282 -2.629 8.192 1.00 0.00 N ATOM 274 CA LEU A 242 -3.912 -2.185 6.973 1.00 0.00 C ATOM 275 C LEU A 242 -4.210 -3.387 6.086 1.00 0.00 C ATOM 276 O LEU A 242 -3.305 -3.988 5.513 1.00 0.00 O ATOM 277 CB LEU A 242 -3.009 -1.188 6.240 1.00 0.00 C ATOM 278 CG LEU A 242 -3.689 -0.342 5.164 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.768 0.532 5.782 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.665 0.514 4.433 1.00 0.00 C ATOM 0 H LEU A 242 -2.559 -3.337 8.062 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.848 -1.682 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.566 -0.518 6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.190 -1.740 5.778 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.156 -1.011 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.243 1.129 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.516 -0.099 6.263 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.320 1.194 6.523 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.167 1.110 3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.170 1.176 5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.923 -0.130 3.960 1.00 0.00 H new ATOM 292 N LYS A 243 -5.473 -3.752 6.015 1.00 0.00 N ATOM 293 CA LYS A 243 -5.900 -4.887 5.212 1.00 0.00 C ATOM 294 C LYS A 243 -5.962 -4.500 3.749 1.00 0.00 C ATOM 295 O LYS A 243 -6.841 -3.738 3.330 1.00 0.00 O ATOM 296 CB LYS A 243 -7.252 -5.396 5.693 1.00 0.00 C ATOM 297 CG LYS A 243 -7.249 -5.798 7.153 1.00 0.00 C ATOM 298 CD LYS A 243 -8.618 -6.239 7.618 1.00 0.00 C ATOM 299 CE LYS A 243 -8.624 -6.530 9.109 1.00 0.00 C ATOM 300 NZ LYS A 243 -8.171 -5.358 9.896 1.00 0.00 N ATOM 0 H LYS A 243 -6.230 -3.277 6.507 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.172 -5.691 5.324 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -8.002 -4.621 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.548 -6.252 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -6.535 -6.608 7.305 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -6.912 -4.958 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -9.349 -5.462 7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.922 -7.131 7.069 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -9.630 -6.812 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -7.975 -7.381 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -8.754 -5.269 10.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -7.175 -5.486 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -8.266 -4.496 9.321 1.00 0.00 H new ATOM 303 N ILE A 244 -5.038 -5.027 2.982 1.00 0.00 N ATOM 304 CA ILE A 244 -4.923 -4.692 1.582 1.00 0.00 C ATOM 305 C ILE A 244 -5.409 -5.836 0.695 1.00 0.00 C ATOM 306 O ILE A 244 -5.407 -7.000 1.103 1.00 0.00 O ATOM 307 CB ILE A 244 -3.462 -4.325 1.231 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.527 -5.504 1.521 1.00 0.00 C ATOM 309 CG2 ILE A 244 -3.029 -3.099 2.030 1.00 0.00 C ATOM 310 CD1 ILE A 244 -1.055 -5.193 1.327 1.00 0.00 C ATOM 0 H ILE A 244 -4.345 -5.700 3.310 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.559 -3.827 1.394 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.405 -4.095 0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.685 -5.834 2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -2.799 -6.337 0.873 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.999 -2.846 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.679 -2.258 1.787 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -3.099 -3.316 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.463 -6.080 1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -0.880 -4.893 0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.763 -4.382 1.995 1.00 0.00 H new ATOM 321 N LYS A 245 -5.838 -5.501 -0.508 1.00 0.00 N ATOM 322 CA LYS A 245 -6.354 -6.490 -1.439 1.00 0.00 C ATOM 323 C LYS A 245 -5.583 -6.452 -2.757 1.00 0.00 C ATOM 324 O LYS A 245 -4.583 -5.759 -2.873 1.00 0.00 O ATOM 325 CB LYS A 245 -7.855 -6.277 -1.677 1.00 0.00 C ATOM 326 CG LYS A 245 -8.706 -6.393 -0.413 1.00 0.00 C ATOM 327 CD LYS A 245 -8.576 -7.770 0.229 1.00 0.00 C ATOM 328 CE LYS A 245 -9.358 -7.865 1.533 1.00 0.00 C ATOM 329 NZ LYS A 245 -10.827 -7.815 1.318 1.00 0.00 N ATOM 0 H LYS A 245 -5.839 -4.546 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.216 -7.477 -0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.007 -5.291 -2.116 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.204 -7.008 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -8.403 -5.628 0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -9.751 -6.203 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -8.935 -8.530 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -7.524 -7.984 0.420 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -9.100 -8.794 2.042 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -9.062 -7.048 2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -11.315 -7.934 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -11.086 -6.897 0.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -11.109 -8.579 0.671 1.00 0.00 H new ATOM 332 N LYS A 246 -6.055 -7.186 -3.741 1.00 0.00 N ATOM 333 CA LYS A 246 -5.363 -7.279 -5.018 1.00 0.00 C ATOM 334 C LYS A 246 -5.841 -6.220 -6.025 1.00 0.00 C ATOM 335 O LYS A 246 -6.761 -6.453 -6.814 1.00 0.00 O ATOM 336 CB LYS A 246 -5.503 -8.693 -5.595 1.00 0.00 C ATOM 337 CG LYS A 246 -6.932 -9.209 -5.627 1.00 0.00 C ATOM 338 CD LYS A 246 -6.998 -10.597 -6.222 1.00 0.00 C ATOM 339 CE LYS A 246 -8.420 -11.110 -6.276 1.00 0.00 C ATOM 340 NZ LYS A 246 -8.492 -12.467 -6.861 1.00 0.00 N ATOM 0 H LYS A 246 -6.916 -7.730 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.308 -7.075 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -5.102 -8.702 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -4.894 -9.377 -5.005 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -7.339 -9.224 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -7.554 -8.530 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -6.577 -10.584 -7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -6.387 -11.278 -5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -8.840 -11.125 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -9.031 -10.427 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -9.482 -12.784 -6.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -8.115 -12.448 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -7.930 -13.124 -6.284 1.00 0.00 H new ATOM 343 N GLY A 247 -5.227 -5.051 -5.971 1.00 0.00 N ATOM 344 CA GLY A 247 -5.557 -4.001 -6.915 1.00 0.00 C ATOM 345 C GLY A 247 -6.252 -2.828 -6.264 1.00 0.00 C ATOM 346 O GLY A 247 -7.314 -2.403 -6.711 1.00 0.00 O ATOM 0 H GLY A 247 -4.506 -4.808 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -4.644 -3.654 -7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.198 -4.409 -7.697 1.00 0.00 H new ATOM 350 N ASP A 248 -5.655 -2.297 -5.219 1.00 0.00 N ATOM 351 CA ASP A 248 -6.230 -1.159 -4.512 1.00 0.00 C ATOM 352 C ASP A 248 -5.203 -0.029 -4.449 1.00 0.00 C ATOM 353 O ASP A 248 -4.073 -0.194 -4.915 1.00 0.00 O ATOM 354 CB ASP A 248 -6.673 -1.565 -3.102 1.00 0.00 C ATOM 355 CG ASP A 248 -7.864 -0.765 -2.609 1.00 0.00 C ATOM 356 OD1 ASP A 248 -7.707 0.437 -2.323 1.00 0.00 O ATOM 357 OD2 ASP A 248 -8.967 -1.345 -2.495 1.00 0.00 O ATOM 0 H ASP A 248 -4.771 -2.631 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.111 -0.812 -5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -6.925 -2.625 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -5.840 -1.432 -2.412 1.00 0.00 H new ATOM 360 N ILE A 249 -5.562 1.082 -3.841 1.00 0.00 N ATOM 361 CA ILE A 249 -4.685 2.245 -3.817 1.00 0.00 C ATOM 362 C ILE A 249 -4.306 2.607 -2.389 1.00 0.00 C ATOM 363 O ILE A 249 -5.172 2.837 -1.544 1.00 0.00 O ATOM 364 CB ILE A 249 -5.348 3.475 -4.496 1.00 0.00 C ATOM 365 CG1 ILE A 249 -5.689 3.170 -5.964 1.00 0.00 C ATOM 366 CG2 ILE A 249 -4.444 4.702 -4.399 1.00 0.00 C ATOM 367 CD1 ILE A 249 -4.481 2.849 -6.828 1.00 0.00 C ATOM 0 H ILE A 249 -6.451 1.209 -3.357 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.788 1.979 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.276 3.692 -3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -6.380 2.328 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -6.210 4.027 -6.390 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -4.929 5.551 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -4.260 4.937 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.496 4.496 -4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -4.807 2.646 -7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -3.797 3.698 -6.828 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.971 1.972 -6.429 1.00 0.00 H new ATOM 378 N ILE A 250 -3.018 2.654 -2.122 1.00 0.00 N ATOM 379 CA ILE A 250 -2.533 3.006 -0.811 1.00 0.00 C ATOM 380 C ILE A 250 -1.755 4.310 -0.872 1.00 0.00 C ATOM 381 O ILE A 250 -0.825 4.463 -1.678 1.00 0.00 O ATOM 382 CB ILE A 250 -1.623 1.907 -0.221 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.326 0.552 -0.272 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.242 2.252 1.216 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.460 -0.597 0.175 1.00 0.00 C ATOM 0 H ILE A 250 -2.286 2.451 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.404 3.117 -0.165 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.714 1.849 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.216 0.590 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.663 0.366 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.600 1.469 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.709 3.203 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.144 2.331 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.027 -1.526 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.582 -0.663 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.143 -0.435 1.205 1.00 0.00 H new ATOM 396 N ASP A 251 -2.150 5.247 -0.043 1.00 0.00 N ATOM 397 CA ASP A 251 -1.470 6.524 0.048 1.00 0.00 C ATOM 398 C ASP A 251 -0.171 6.339 0.827 1.00 0.00 C ATOM 399 O ASP A 251 -0.023 5.362 1.554 1.00 0.00 O ATOM 400 CB ASP A 251 -2.381 7.543 0.738 1.00 0.00 C ATOM 401 CG ASP A 251 -1.795 8.935 0.792 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.748 9.602 -0.259 1.00 0.00 O ATOM 403 OD2 ASP A 251 -1.393 9.375 1.885 1.00 0.00 O ATOM 0 H ASP A 251 -2.947 5.150 0.586 1.00 0.00 H new ATOM 0 HA ASP A 251 -1.234 6.897 -0.948 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -3.336 7.579 0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.588 7.205 1.753 1.00 0.00 H new ATOM 406 N ILE A 252 0.751 7.266 0.691 1.00 0.00 N ATOM 407 CA ILE A 252 2.041 7.139 1.355 1.00 0.00 C ATOM 408 C ILE A 252 2.376 8.396 2.135 1.00 0.00 C ATOM 409 O ILE A 252 2.417 9.493 1.573 1.00 0.00 O ATOM 410 CB ILE A 252 3.191 6.855 0.359 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.872 5.643 -0.521 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.489 6.620 1.121 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.954 5.329 -1.535 1.00 0.00 C ATOM 0 H ILE A 252 0.639 8.112 0.132 1.00 0.00 H new ATOM 0 HA ILE A 252 1.950 6.290 2.033 1.00 0.00 H new ATOM 0 HB ILE A 252 3.304 7.724 -0.290 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.719 4.772 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.934 5.823 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.295 6.421 0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.732 7.506 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 252 4.370 5.765 1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.660 4.459 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.092 6.184 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.889 5.117 -1.016 1.00 0.00 H new ATOM 424 N ILE A 253 2.610 8.242 3.429 1.00 0.00 N ATOM 425 CA ILE A 253 2.988 9.373 4.261 1.00 0.00 C ATOM 426 C ILE A 253 4.438 9.252 4.716 1.00 0.00 C ATOM 427 O ILE A 253 5.114 10.255 4.947 1.00 0.00 O ATOM 428 CB ILE A 253 2.062 9.532 5.496 1.00 0.00 C ATOM 429 CG1 ILE A 253 2.056 8.259 6.353 1.00 0.00 C ATOM 430 CG2 ILE A 253 0.649 9.889 5.055 1.00 0.00 C ATOM 431 CD1 ILE A 253 1.241 8.383 7.623 1.00 0.00 C ATOM 0 H ILE A 253 2.545 7.352 3.923 1.00 0.00 H new ATOM 0 HA ILE A 253 2.876 10.265 3.644 1.00 0.00 H new ATOM 0 HB ILE A 253 2.452 10.344 6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 253 1.663 7.434 5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 253 3.083 8.003 6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 253 0.011 9.997 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 253 0.667 10.828 4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 253 0.257 9.098 4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 253 1.284 7.445 8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 253 1.647 9.186 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 253 0.205 8.608 7.370 1.00 0.00 H new ATOM 442 N CYS A 254 4.920 8.023 4.824 1.00 0.00 N ATOM 443 CA CYS A 254 6.285 7.784 5.249 1.00 0.00 C ATOM 444 C CYS A 254 6.868 6.563 4.556 1.00 0.00 C ATOM 445 O CYS A 254 6.308 5.462 4.636 1.00 0.00 O ATOM 446 CB CYS A 254 6.350 7.604 6.772 1.00 0.00 C ATOM 447 SG CYS A 254 8.017 7.317 7.418 1.00 0.00 S ATOM 0 H CYS A 254 4.384 7.179 4.623 1.00 0.00 H new ATOM 0 HA CYS A 254 6.879 8.654 4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.936 8.492 7.249 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.714 6.765 7.054 1.00 0.00 H new ATOM 0 HG CYS A 254 7.964 7.181 8.710 1.00 0.00 H new ATOM 453 N LYS A 255 7.975 6.765 3.863 1.00 0.00 N ATOM 454 CA LYS A 255 8.675 5.678 3.216 1.00 0.00 C ATOM 455 C LYS A 255 9.742 5.139 4.146 1.00 0.00 C ATOM 456 O LYS A 255 10.838 5.694 4.248 1.00 0.00 O ATOM 457 CB LYS A 255 9.306 6.109 1.877 1.00 0.00 C ATOM 458 CG LYS A 255 8.300 6.386 0.764 1.00 0.00 C ATOM 459 CD LYS A 255 7.714 7.792 0.843 1.00 0.00 C ATOM 460 CE LYS A 255 8.729 8.844 0.428 1.00 0.00 C ATOM 461 NZ LYS A 255 8.123 10.193 0.335 1.00 0.00 N ATOM 0 H LYS A 255 8.408 7.680 3.736 1.00 0.00 H new ATOM 0 HA LYS A 255 7.948 4.897 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.902 7.007 2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.991 5.329 1.545 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.786 6.252 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.493 5.656 0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.837 7.858 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 255 7.378 7.991 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 255 9.547 8.863 1.148 1.00 0.00 H new ATOM 0 HE3 LYS A 255 9.159 8.572 -0.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 8.849 10.881 0.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 7.359 10.183 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 7.735 10.464 1.261 1.00 0.00 H new ATOM 464 N THR A 256 9.401 4.090 4.850 1.00 0.00 N ATOM 465 CA THR A 256 10.299 3.465 5.787 1.00 0.00 C ATOM 466 C THR A 256 11.419 2.718 5.036 1.00 0.00 C ATOM 467 O THR A 256 11.176 2.132 3.979 1.00 0.00 O ATOM 468 CB THR A 256 9.504 2.489 6.687 1.00 0.00 C ATOM 469 OG1 THR A 256 8.396 3.189 7.276 1.00 0.00 O ATOM 470 CG2 THR A 256 10.374 1.903 7.795 1.00 0.00 C ATOM 0 H THR A 256 8.486 3.643 4.789 1.00 0.00 H new ATOM 0 HA THR A 256 10.760 4.230 6.411 1.00 0.00 H new ATOM 0 HB THR A 256 9.153 1.666 6.065 1.00 0.00 H new ATOM 0 HG1 THR A 256 7.640 2.575 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 256 9.778 1.223 8.404 1.00 0.00 H new ATOM 0 HG22 THR A 256 11.208 1.358 7.353 1.00 0.00 H new ATOM 0 HG23 THR A 256 10.758 2.709 8.421 1.00 0.00 H new ATOM 477 N PRO A 257 12.671 2.763 5.552 1.00 0.00 N ATOM 478 CA PRO A 257 13.819 2.058 4.941 1.00 0.00 C ATOM 479 C PRO A 257 13.674 0.526 4.980 1.00 0.00 C ATOM 480 O PRO A 257 14.581 -0.200 4.583 1.00 0.00 O ATOM 481 CB PRO A 257 15.015 2.490 5.805 1.00 0.00 C ATOM 482 CG PRO A 257 14.555 3.709 6.527 1.00 0.00 C ATOM 483 CD PRO A 257 13.084 3.539 6.734 1.00 0.00 C ATOM 0 HA PRO A 257 13.916 2.309 3.885 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.301 1.703 6.503 1.00 0.00 H new ATOM 0 HB3 PRO A 257 15.889 2.703 5.189 1.00 0.00 H new ATOM 0 HG2 PRO A 257 15.073 3.816 7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 257 14.766 4.608 5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 257 12.865 3.009 7.661 1.00 0.00 H new ATOM 0 HD3 PRO A 257 12.570 4.499 6.786 1.00 0.00 H new ATOM 491 N MET A 258 12.541 0.053 5.463 1.00 0.00 N ATOM 492 CA MET A 258 12.276 -1.371 5.551 1.00 0.00 C ATOM 493 C MET A 258 11.021 -1.732 4.770 1.00 0.00 C ATOM 494 O MET A 258 10.464 -0.896 4.064 1.00 0.00 O ATOM 495 CB MET A 258 12.156 -1.811 7.010 1.00 0.00 C ATOM 496 CG MET A 258 13.491 -1.875 7.734 1.00 0.00 C ATOM 497 SD MET A 258 14.638 -3.026 6.944 1.00 0.00 S ATOM 498 CE MET A 258 16.074 -2.855 7.999 1.00 0.00 C ATOM 0 H MET A 258 11.781 0.642 5.804 1.00 0.00 H new ATOM 0 HA MET A 258 13.117 -1.903 5.107 1.00 0.00 H new ATOM 0 HB2 MET A 258 11.498 -1.120 7.537 1.00 0.00 H new ATOM 0 HB3 MET A 258 11.683 -2.792 7.048 1.00 0.00 H new ATOM 0 HG2 MET A 258 13.937 -0.881 7.760 1.00 0.00 H new ATOM 0 HG3 MET A 258 13.328 -2.179 8.768 1.00 0.00 H new ATOM 0 HE1 MET A 258 16.870 -3.506 7.638 1.00 0.00 H new ATOM 0 HE2 MET A 258 16.416 -1.820 7.983 1.00 0.00 H new ATOM 0 HE3 MET A 258 15.811 -3.134 9.019 1.00 0.00 H new ATOM 508 N GLY A 259 10.578 -2.974 4.908 1.00 0.00 N ATOM 509 CA GLY A 259 9.422 -3.443 4.167 1.00 0.00 C ATOM 510 C GLY A 259 8.111 -2.858 4.661 1.00 0.00 C ATOM 511 O GLY A 259 7.165 -2.711 3.890 1.00 0.00 O ATOM 0 H GLY A 259 11.001 -3.669 5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 259 9.549 -3.193 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 259 9.374 -4.530 4.233 1.00 0.00 H new ATOM 515 N MET A 260 8.046 -2.538 5.940 1.00 0.00 N ATOM 516 CA MET A 260 6.831 -1.972 6.517 1.00 0.00 C ATOM 517 C MET A 260 6.739 -0.462 6.272 1.00 0.00 C ATOM 518 O MET A 260 7.436 0.326 6.904 1.00 0.00 O ATOM 519 CB MET A 260 6.732 -2.287 8.022 1.00 0.00 C ATOM 520 CG MET A 260 7.944 -1.853 8.843 1.00 0.00 C ATOM 521 SD MET A 260 7.743 -2.156 10.611 1.00 0.00 S ATOM 522 CE MET A 260 7.418 -3.919 10.624 1.00 0.00 C ATOM 0 H MET A 260 8.814 -2.658 6.600 1.00 0.00 H new ATOM 0 HA MET A 260 5.985 -2.441 6.014 1.00 0.00 H new ATOM 0 HB2 MET A 260 5.844 -1.800 8.424 1.00 0.00 H new ATOM 0 HB3 MET A 260 6.591 -3.361 8.147 1.00 0.00 H new ATOM 0 HG2 MET A 260 8.826 -2.385 8.487 1.00 0.00 H new ATOM 0 HG3 MET A 260 8.125 -0.790 8.680 1.00 0.00 H new ATOM 0 HE1 MET A 260 7.570 -4.310 11.630 1.00 0.00 H new ATOM 0 HE2 MET A 260 6.389 -4.101 10.316 1.00 0.00 H new ATOM 0 HE3 MET A 260 8.098 -4.419 9.934 1.00 0.00 H new ATOM 532 N TRP A 261 5.892 -0.077 5.338 1.00 0.00 N ATOM 533 CA TRP A 261 5.680 1.326 5.023 1.00 0.00 C ATOM 534 C TRP A 261 4.449 1.856 5.739 1.00 0.00 C ATOM 535 O TRP A 261 3.606 1.082 6.205 1.00 0.00 O ATOM 536 CB TRP A 261 5.529 1.529 3.517 1.00 0.00 C ATOM 537 CG TRP A 261 6.820 1.502 2.756 1.00 0.00 C ATOM 538 CD1 TRP A 261 8.051 1.176 3.236 1.00 0.00 C ATOM 539 CD2 TRP A 261 7.000 1.822 1.372 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.988 1.279 2.240 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.368 1.673 1.084 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.133 2.221 0.351 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.891 1.909 -0.186 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.650 2.454 -0.907 1.00 0.00 C ATOM 545 CH2 TRP A 261 8.017 2.299 -1.167 1.00 0.00 C ATOM 0 H TRP A 261 5.334 -0.721 4.778 1.00 0.00 H new ATOM 0 HA TRP A 261 6.554 1.880 5.365 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.872 0.754 3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 261 5.036 2.485 3.339 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.260 0.879 4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.985 1.092 2.343 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.077 2.345 0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.945 1.789 -0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 5.989 2.761 -1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.391 2.491 -2.162 1.00 0.00 H new ATOM 551 N THR A 262 4.340 3.170 5.820 1.00 0.00 N ATOM 552 CA THR A 262 3.215 3.797 6.481 1.00 0.00 C ATOM 553 C THR A 262 2.344 4.537 5.463 1.00 0.00 C ATOM 554 O THR A 262 2.807 5.474 4.783 1.00 0.00 O ATOM 555 CB THR A 262 3.697 4.776 7.556 1.00 0.00 C ATOM 556 OG1 THR A 262 4.840 4.217 8.216 1.00 0.00 O ATOM 557 CG2 THR A 262 2.599 5.025 8.580 1.00 0.00 C ATOM 0 H THR A 262 5.021 3.824 5.434 1.00 0.00 H new ATOM 0 HA THR A 262 2.623 3.016 6.957 1.00 0.00 H new ATOM 0 HB THR A 262 3.958 5.723 7.084 1.00 0.00 H new ATOM 0 HG1 THR A 262 5.156 4.838 8.905 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.958 5.723 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.726 5.447 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 262 2.325 4.083 9.056 1.00 0.00 H new ATOM 564 N GLY A 263 1.094 4.124 5.361 1.00 0.00 N ATOM 565 CA GLY A 263 0.196 4.714 4.397 1.00 0.00 C ATOM 566 C GLY A 263 -1.241 4.577 4.809 1.00 0.00 C ATOM 567 O GLY A 263 -1.530 4.231 5.953 1.00 0.00 O ATOM 0 H GLY A 263 0.683 3.386 5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.439 5.769 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.342 4.238 3.427 1.00 0.00 H new ATOM 571 N MET A 264 -2.147 4.839 3.891 1.00 0.00 N ATOM 572 CA MET A 264 -3.556 4.732 4.193 1.00 0.00 C ATOM 573 C MET A 264 -4.341 4.203 3.003 1.00 0.00 C ATOM 574 O MET A 264 -4.186 4.675 1.874 1.00 0.00 O ATOM 575 CB MET A 264 -4.149 6.073 4.690 1.00 0.00 C ATOM 576 CG MET A 264 -4.198 7.181 3.653 1.00 0.00 C ATOM 577 SD MET A 264 -5.202 8.584 4.188 1.00 0.00 S ATOM 578 CE MET A 264 -5.176 9.606 2.714 1.00 0.00 C ATOM 0 H MET A 264 -1.934 5.126 2.936 1.00 0.00 H new ATOM 0 HA MET A 264 -3.648 4.013 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 264 -5.161 5.892 5.054 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.562 6.419 5.541 1.00 0.00 H new ATOM 0 HG2 MET A 264 -3.185 7.523 3.443 1.00 0.00 H new ATOM 0 HG3 MET A 264 -4.601 6.785 2.721 1.00 0.00 H new ATOM 0 HE1 MET A 264 -5.755 10.512 2.889 1.00 0.00 H new ATOM 0 HE2 MET A 264 -4.147 9.874 2.475 1.00 0.00 H new ATOM 0 HE3 MET A 264 -5.610 9.054 1.881 1.00 0.00 H new ATOM 588 N LEU A 265 -5.161 3.208 3.261 1.00 0.00 N ATOM 589 CA LEU A 265 -6.025 2.628 2.253 1.00 0.00 C ATOM 590 C LEU A 265 -7.455 2.942 2.658 1.00 0.00 C ATOM 591 O LEU A 265 -7.774 2.884 3.836 1.00 0.00 O ATOM 592 CB LEU A 265 -5.784 1.100 2.160 1.00 0.00 C ATOM 593 CG LEU A 265 -6.327 0.379 0.908 1.00 0.00 C ATOM 594 CD1 LEU A 265 -5.674 -0.982 0.763 1.00 0.00 C ATOM 595 CD2 LEU A 265 -7.829 0.206 0.983 1.00 0.00 C ATOM 0 H LEU A 265 -5.249 2.775 4.181 1.00 0.00 H new ATOM 0 HA LEU A 265 -5.818 3.042 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.710 0.923 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -6.228 0.633 3.039 1.00 0.00 H new ATOM 0 HG LEU A 265 -6.089 0.996 0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -6.065 -1.481 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -4.595 -0.859 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.891 -1.586 1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -8.182 -0.305 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -8.084 -0.386 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -8.305 1.184 1.054 1.00 0.00 H new ATOM 607 N ASN A 266 -8.297 3.309 1.683 1.00 0.00 N ATOM 608 CA ASN A 266 -9.698 3.741 1.931 1.00 0.00 C ATOM 609 C ASN A 266 -9.761 4.803 3.041 1.00 0.00 C ATOM 610 O ASN A 266 -10.732 4.891 3.789 1.00 0.00 O ATOM 611 CB ASN A 266 -10.666 2.540 2.224 1.00 0.00 C ATOM 612 CG ASN A 266 -10.447 1.827 3.565 1.00 0.00 C ATOM 613 OD1 ASN A 266 -10.967 2.242 4.599 1.00 0.00 O ATOM 614 ND2 ASN A 266 -9.716 0.728 3.543 1.00 0.00 N ATOM 0 H ASN A 266 -8.036 3.318 0.697 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.053 4.196 1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -11.692 2.907 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -10.562 1.809 1.422 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -9.569 0.196 4.401 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.298 0.411 2.668 1.00 0.00 H new ATOM 621 N ASN A 267 -8.710 5.637 3.091 1.00 0.00 N ATOM 622 CA ASN A 267 -8.578 6.724 4.075 1.00 0.00 C ATOM 623 C ASN A 267 -8.297 6.216 5.486 1.00 0.00 C ATOM 624 O ASN A 267 -8.394 6.969 6.450 1.00 0.00 O ATOM 625 CB ASN A 267 -9.794 7.664 4.061 1.00 0.00 C ATOM 626 CG ASN A 267 -9.607 8.833 3.109 1.00 0.00 C ATOM 627 OD1 ASN A 267 -9.894 8.734 1.915 1.00 0.00 O ATOM 628 ND2 ASN A 267 -9.132 9.950 3.634 1.00 0.00 N ATOM 0 H ASN A 267 -7.923 5.576 2.446 1.00 0.00 H new ATOM 0 HA ASN A 267 -7.706 7.300 3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -10.682 7.102 3.773 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -9.970 8.043 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -8.991 10.771 3.045 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -8.907 9.991 4.628 1.00 0.00 H new ATOM 635 N LYS A 268 -7.940 4.949 5.608 1.00 0.00 N ATOM 636 CA LYS A 268 -7.568 4.394 6.899 1.00 0.00 C ATOM 637 C LYS A 268 -6.057 4.274 6.987 1.00 0.00 C ATOM 638 O LYS A 268 -5.439 3.617 6.151 1.00 0.00 O ATOM 639 CB LYS A 268 -8.186 3.016 7.116 1.00 0.00 C ATOM 640 CG LYS A 268 -7.869 2.441 8.482 1.00 0.00 C ATOM 641 CD LYS A 268 -8.095 0.949 8.537 1.00 0.00 C ATOM 642 CE LYS A 268 -7.783 0.412 9.921 1.00 0.00 C ATOM 643 NZ LYS A 268 -6.402 0.764 10.365 1.00 0.00 N ATOM 0 H LYS A 268 -7.900 4.287 4.833 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.943 5.067 7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -9.267 3.085 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.823 2.335 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -6.832 2.660 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.490 2.929 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -9.129 0.723 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -7.466 0.453 7.798 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -8.505 0.810 10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -7.898 -0.672 9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -6.197 0.292 11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -5.717 0.451 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -6.329 1.794 10.488 1.00 0.00 H new ATOM 646 N VAL A 269 -5.466 4.891 7.991 1.00 0.00 N ATOM 647 CA VAL A 269 -4.021 4.857 8.154 1.00 0.00 C ATOM 648 C VAL A 269 -3.562 3.562 8.835 1.00 0.00 C ATOM 649 O VAL A 269 -4.175 3.094 9.802 1.00 0.00 O ATOM 650 CB VAL A 269 -3.503 6.095 8.946 1.00 0.00 C ATOM 651 CG1 VAL A 269 -4.060 6.121 10.363 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.977 6.134 8.960 1.00 0.00 C ATOM 0 H VAL A 269 -5.961 5.422 8.707 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.590 4.889 7.153 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.861 6.988 8.434 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.679 6.997 10.888 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.148 6.166 10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.752 5.219 10.892 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.640 7.007 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.594 5.230 9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.605 6.192 7.937 1.00 0.00 H new ATOM 662 N GLY A 270 -2.526 2.956 8.283 1.00 0.00 N ATOM 663 CA GLY A 270 -1.954 1.771 8.871 1.00 0.00 C ATOM 664 C GLY A 270 -0.631 1.415 8.234 1.00 0.00 C ATOM 665 O GLY A 270 -0.138 2.142 7.363 1.00 0.00 O ATOM 0 H GLY A 270 -2.067 3.270 7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.813 1.927 9.941 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.648 0.938 8.759 1.00 0.00 H new ATOM 669 N ASN A 271 -0.049 0.312 8.657 1.00 0.00 N ATOM 670 CA ASN A 271 1.214 -0.131 8.096 1.00 0.00 C ATOM 671 C ASN A 271 0.963 -1.183 7.032 1.00 0.00 C ATOM 672 O ASN A 271 0.047 -2.002 7.159 1.00 0.00 O ATOM 673 CB ASN A 271 2.168 -0.678 9.188 1.00 0.00 C ATOM 674 CG ASN A 271 1.678 -1.961 9.853 1.00 0.00 C ATOM 675 OD1 ASN A 271 1.940 -3.066 9.371 1.00 0.00 O ATOM 676 ND2 ASN A 271 0.994 -1.824 10.979 1.00 0.00 N ATOM 0 H ASN A 271 -0.428 -0.294 9.385 1.00 0.00 H new ATOM 0 HA ASN A 271 1.703 0.731 7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.146 -0.862 8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.305 0.086 9.953 1.00 0.00 H new ATOM 0 HD21 ASN A 271 0.664 -2.650 11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 271 0.797 -0.893 11.346 1.00 0.00 H new ATOM 683 N PHE A 272 1.756 -1.153 5.983 1.00 0.00 N ATOM 684 CA PHE A 272 1.612 -2.101 4.899 1.00 0.00 C ATOM 685 C PHE A 272 2.974 -2.551 4.417 1.00 0.00 C ATOM 686 O PHE A 272 3.931 -1.778 4.427 1.00 0.00 O ATOM 687 CB PHE A 272 0.792 -1.504 3.740 1.00 0.00 C ATOM 688 CG PHE A 272 1.436 -0.329 3.048 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.360 0.942 3.591 1.00 0.00 C ATOM 690 CD2 PHE A 272 2.111 -0.500 1.849 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.946 2.018 2.952 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.695 0.574 1.208 1.00 0.00 C ATOM 693 CZ PHE A 272 2.611 1.834 1.760 1.00 0.00 C ATOM 0 H PHE A 272 2.511 -0.479 5.857 1.00 0.00 H new ATOM 0 HA PHE A 272 1.068 -2.968 5.274 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.609 -2.286 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.180 -1.194 4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.837 1.094 4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 272 2.181 -1.485 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.882 3.004 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 272 3.218 0.427 0.274 1.00 0.00 H new ATOM 0 HZ PHE A 272 3.066 2.676 1.259 1.00 0.00 H new ATOM 699 N LYS A 273 3.070 -3.796 4.019 1.00 0.00 N ATOM 700 CA LYS A 273 4.325 -4.323 3.545 1.00 0.00 C ATOM 701 C LYS A 273 4.511 -4.023 2.065 1.00 0.00 C ATOM 702 O LYS A 273 3.723 -4.466 1.220 1.00 0.00 O ATOM 703 CB LYS A 273 4.428 -5.821 3.829 1.00 0.00 C ATOM 704 CG LYS A 273 4.343 -6.154 5.309 1.00 0.00 C ATOM 705 CD LYS A 273 4.567 -7.630 5.569 1.00 0.00 C ATOM 706 CE LYS A 273 4.489 -7.936 7.053 1.00 0.00 C ATOM 707 NZ LYS A 273 4.810 -9.352 7.348 1.00 0.00 N ATOM 0 H LYS A 273 2.297 -4.461 4.014 1.00 0.00 H new ATOM 0 HA LYS A 273 5.131 -3.829 4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 273 3.630 -6.341 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 273 5.371 -6.196 3.432 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.085 -5.572 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 273 3.365 -5.862 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 273 3.820 -8.215 5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 273 5.542 -7.928 5.183 1.00 0.00 H new ATOM 0 HE2 LYS A 273 5.180 -7.288 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 273 3.487 -7.708 7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 4.745 -9.517 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 4.136 -9.971 6.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 5.775 -9.564 7.024 1.00 0.00 H new ATOM 710 N PHE A 274 5.567 -3.272 1.769 1.00 0.00 N ATOM 711 CA PHE A 274 5.898 -2.837 0.411 1.00 0.00 C ATOM 712 C PHE A 274 5.949 -4.005 -0.576 1.00 0.00 C ATOM 713 O PHE A 274 5.602 -3.854 -1.744 1.00 0.00 O ATOM 714 CB PHE A 274 7.242 -2.088 0.417 1.00 0.00 C ATOM 715 CG PHE A 274 7.799 -1.808 -0.952 1.00 0.00 C ATOM 716 CD1 PHE A 274 7.126 -0.982 -1.833 1.00 0.00 C ATOM 717 CD2 PHE A 274 8.991 -2.383 -1.358 1.00 0.00 C ATOM 718 CE1 PHE A 274 7.631 -0.732 -3.090 1.00 0.00 C ATOM 719 CE2 PHE A 274 9.501 -2.136 -2.617 1.00 0.00 C ATOM 720 CZ PHE A 274 8.819 -1.309 -3.485 1.00 0.00 C ATOM 0 H PHE A 274 6.227 -2.943 2.473 1.00 0.00 H new ATOM 0 HA PHE A 274 5.105 -2.168 0.077 1.00 0.00 H new ATOM 0 HB2 PHE A 274 7.116 -1.143 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 274 7.969 -2.674 0.980 1.00 0.00 H new ATOM 0 HD1 PHE A 274 6.194 -0.528 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 274 9.528 -3.032 -0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 274 7.095 -0.083 -3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.433 -2.590 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 274 9.214 -1.114 -4.471 1.00 0.00 H new ATOM 726 N ILE A 275 6.365 -5.159 -0.093 1.00 0.00 N ATOM 727 CA ILE A 275 6.484 -6.359 -0.919 1.00 0.00 C ATOM 728 C ILE A 275 5.180 -6.711 -1.669 1.00 0.00 C ATOM 729 O ILE A 275 5.225 -7.350 -2.719 1.00 0.00 O ATOM 730 CB ILE A 275 6.937 -7.573 -0.075 1.00 0.00 C ATOM 731 CG1 ILE A 275 5.940 -7.843 1.060 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.334 -7.327 0.483 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.321 -9.003 1.959 1.00 0.00 C ATOM 0 H ILE A 275 6.632 -5.298 0.882 1.00 0.00 H new ATOM 0 HA ILE A 275 7.242 -6.129 -1.668 1.00 0.00 H new ATOM 0 HB ILE A 275 6.967 -8.454 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 275 5.846 -6.943 1.667 1.00 0.00 H new ATOM 0 HG13 ILE A 275 4.959 -8.040 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.645 -8.187 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.034 -7.181 -0.340 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.323 -6.437 1.112 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.565 -9.126 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 275 6.386 -9.916 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.287 -8.802 2.423 1.00 0.00 H new ATOM 744 N TYR A 276 4.027 -6.302 -1.134 1.00 0.00 N ATOM 745 CA TYR A 276 2.747 -6.607 -1.775 1.00 0.00 C ATOM 746 C TYR A 276 2.279 -5.474 -2.697 1.00 0.00 C ATOM 747 O TYR A 276 1.308 -5.637 -3.451 1.00 0.00 O ATOM 748 CB TYR A 276 1.667 -6.870 -0.717 1.00 0.00 C ATOM 749 CG TYR A 276 1.980 -8.009 0.229 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.044 -9.317 -0.225 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.199 -7.776 1.580 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.321 -10.359 0.634 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.479 -8.815 2.446 1.00 0.00 C ATOM 754 CZ TYR A 276 2.537 -10.106 1.968 1.00 0.00 C ATOM 755 OH TYR A 276 2.819 -11.145 2.823 1.00 0.00 O ATOM 0 H TYR A 276 3.954 -5.766 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 276 2.902 -7.500 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.518 -5.961 -0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.725 -7.083 -1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 276 1.874 -9.524 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.150 -6.766 1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.368 -11.371 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.652 -8.616 3.493 1.00 0.00 H new ATOM 0 HH TYR A 276 2.946 -10.797 3.730 1.00 0.00 H new ATOM 761 N VAL A 277 2.950 -4.335 -2.639 1.00 0.00 N ATOM 762 CA VAL A 277 2.529 -3.180 -3.425 1.00 0.00 C ATOM 763 C VAL A 277 3.519 -2.840 -4.531 1.00 0.00 C ATOM 764 O VAL A 277 4.544 -3.498 -4.693 1.00 0.00 O ATOM 765 CB VAL A 277 2.314 -1.926 -2.536 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.438 -2.255 -1.340 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.645 -1.335 -2.086 1.00 0.00 C ATOM 0 H VAL A 277 3.779 -4.183 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 277 1.581 -3.464 -3.881 1.00 0.00 H new ATOM 0 HB VAL A 277 1.801 -1.175 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.302 -1.361 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.467 -2.610 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.915 -3.031 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.462 -0.458 -1.465 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.197 -2.078 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.229 -1.046 -2.960 1.00 0.00 H new ATOM 777 N ASP A 278 3.181 -1.815 -5.292 1.00 0.00 N ATOM 778 CA ASP A 278 4.017 -1.322 -6.370 1.00 0.00 C ATOM 779 C ASP A 278 3.951 0.196 -6.391 1.00 0.00 C ATOM 780 O ASP A 278 2.883 0.778 -6.179 1.00 0.00 O ATOM 781 CB ASP A 278 3.560 -1.895 -7.718 1.00 0.00 C ATOM 782 CG ASP A 278 4.399 -1.401 -8.881 1.00 0.00 C ATOM 783 OD1 ASP A 278 5.631 -1.568 -8.845 1.00 0.00 O ATOM 784 OD2 ASP A 278 3.830 -0.845 -9.840 1.00 0.00 O ATOM 0 H ASP A 278 2.310 -1.297 -5.178 1.00 0.00 H new ATOM 0 HA ASP A 278 5.045 -1.642 -6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 278 3.606 -2.983 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 278 2.518 -1.626 -7.888 1.00 0.00 H new ATOM 787 N VAL A 279 5.079 0.832 -6.635 1.00 0.00 N ATOM 788 CA VAL A 279 5.144 2.283 -6.636 1.00 0.00 C ATOM 789 C VAL A 279 4.690 2.814 -7.986 1.00 0.00 C ATOM 790 O VAL A 279 5.299 2.510 -9.018 1.00 0.00 O ATOM 791 CB VAL A 279 6.574 2.792 -6.341 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.567 4.282 -6.068 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.188 2.040 -5.175 1.00 0.00 C ATOM 0 H VAL A 279 5.965 0.368 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 279 4.485 2.646 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 279 7.185 2.607 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.583 4.619 -5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 279 6.178 4.810 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 279 5.934 4.491 -5.205 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.194 2.417 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 279 6.575 2.185 -4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.237 0.977 -5.413 1.00 0.00 H new ATOM 803 N ILE A 280 3.622 3.583 -7.982 1.00 0.00 N ATOM 804 CA ILE A 280 3.067 4.110 -9.211 1.00 0.00 C ATOM 805 C ILE A 280 3.073 5.630 -9.218 1.00 0.00 C ATOM 806 O ILE A 280 3.270 6.276 -8.178 1.00 0.00 O ATOM 807 CB ILE A 280 1.624 3.613 -9.452 1.00 0.00 C ATOM 808 CG1 ILE A 280 0.725 3.975 -8.263 1.00 0.00 C ATOM 809 CG2 ILE A 280 1.612 2.107 -9.702 1.00 0.00 C ATOM 810 CD1 ILE A 280 -0.737 3.674 -8.490 1.00 0.00 C ATOM 0 H ILE A 280 3.119 3.858 -7.138 1.00 0.00 H new ATOM 0 HA ILE A 280 3.705 3.743 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 280 1.231 4.109 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.066 3.430 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 280 0.838 5.037 -8.044 1.00 0.00 H new ATOM 0 HG21 ILE A 280 0.588 1.774 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE A 280 2.216 1.879 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 280 2.024 1.591 -8.835 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -1.308 3.957 -7.606 1.00 0.00 H new ATOM 0 HD12 ILE A 280 -1.096 4.239 -9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 280 -0.864 2.608 -8.678 1.00 0.00 H new