USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 347 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 271 ASN : amide:sc= 0.508 K(o=1.7,f=-8.4!) USER MOD Set 1.2: A 273 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0) USER MOD Single : A 223 CYS SG : rot 180:sc= 0 USER MOD Single : A 229 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-5.6!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 233 THR OG1 : rot 81:sc= 0.0172 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 78:sc= 0.102 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 254 CYS SG : rot -10:sc= -0.191 USER MOD Single : A 255 LYS NZ :NH3+ -125:sc= -0.2 (180deg=-0.863) USER MOD Single : A 256 THR OG1 : rot 126:sc= 1.25 USER MOD Single : A 258 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 260 MET CE :methyl -164:sc= -0.118 (180deg=-0.535) USER MOD Single : A 262 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 264 MET CE :methyl 164:sc= -0.0547 (180deg=-0.399) USER MOD Single : A 266 ASN :FLIP amide:sc= -0.6 F(o=-2.5!,f=-0.6) USER MOD Single : A 267 ASN :FLIP amide:sc= -0.0185 F(o=-1.1,f=-0.019) USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD Single : A 281 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 2.173 20.313 -3.970 1.00 0.00 N ATOM 2 CA GLY A 220 2.351 20.043 -2.537 1.00 0.00 C ATOM 3 C GLY A 220 3.539 19.157 -2.290 1.00 0.00 C ATOM 4 O GLY A 220 4.483 19.158 -3.085 1.00 0.00 O ATOM 0 HA2 GLY A 220 2.479 20.983 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 220 1.453 19.569 -2.140 1.00 0.00 H new ATOM 7 N PRO A 221 3.526 18.372 -1.204 1.00 0.00 N ATOM 8 CA PRO A 221 4.630 17.474 -0.860 1.00 0.00 C ATOM 9 C PRO A 221 4.703 16.280 -1.807 1.00 0.00 C ATOM 10 O PRO A 221 4.003 16.233 -2.828 1.00 0.00 O ATOM 11 CB PRO A 221 4.289 16.999 0.568 1.00 0.00 C ATOM 12 CG PRO A 221 3.152 17.858 1.015 1.00 0.00 C ATOM 13 CD PRO A 221 2.440 18.286 -0.229 1.00 0.00 C ATOM 0 HA PRO A 221 5.597 17.972 -0.933 1.00 0.00 H new ATOM 0 HB2 PRO A 221 4.011 15.945 0.575 1.00 0.00 H new ATOM 0 HB3 PRO A 221 5.146 17.106 1.232 1.00 0.00 H new ATOM 0 HG2 PRO A 221 2.484 17.306 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 221 3.512 18.721 1.574 1.00 0.00 H new ATOM 0 HD2 PRO A 221 1.681 17.564 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO A 221 1.936 19.243 -0.098 1.00 0.00 H new ATOM 21 N PHE A 222 5.544 15.322 -1.473 1.00 0.00 N ATOM 22 CA PHE A 222 5.683 14.135 -2.283 1.00 0.00 C ATOM 23 C PHE A 222 4.487 13.223 -2.099 1.00 0.00 C ATOM 24 O PHE A 222 4.299 12.626 -1.037 1.00 0.00 O ATOM 25 CB PHE A 222 6.979 13.385 -1.955 1.00 0.00 C ATOM 26 CG PHE A 222 7.116 12.082 -2.696 1.00 0.00 C ATOM 27 CD1 PHE A 222 7.372 12.068 -4.056 1.00 0.00 C ATOM 28 CD2 PHE A 222 6.971 10.874 -2.034 1.00 0.00 C ATOM 29 CE1 PHE A 222 7.482 10.874 -4.740 1.00 0.00 C ATOM 30 CE2 PHE A 222 7.079 9.679 -2.715 1.00 0.00 C ATOM 31 CZ PHE A 222 7.335 9.680 -4.070 1.00 0.00 C ATOM 0 H PHE A 222 6.140 15.345 -0.646 1.00 0.00 H new ATOM 0 HA PHE A 222 5.730 14.448 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 222 7.830 14.022 -2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 222 7.017 13.191 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 222 7.487 13.001 -4.588 1.00 0.00 H new ATOM 0 HD2 PHE A 222 6.771 10.867 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 222 7.683 10.876 -5.801 1.00 0.00 H new ATOM 0 HE2 PHE A 222 6.963 8.744 -2.187 1.00 0.00 H new ATOM 0 HZ PHE A 222 7.420 8.746 -4.605 1.00 0.00 H new ATOM 37 N CYS A 223 3.675 13.137 -3.123 1.00 0.00 N ATOM 38 CA CYS A 223 2.521 12.282 -3.098 1.00 0.00 C ATOM 39 C CYS A 223 2.912 10.880 -3.523 1.00 0.00 C ATOM 40 O CYS A 223 3.050 10.585 -4.719 1.00 0.00 O ATOM 41 CB CYS A 223 1.421 12.838 -3.999 1.00 0.00 C ATOM 42 SG CYS A 223 0.841 14.483 -3.517 1.00 0.00 S ATOM 0 H CYS A 223 3.797 13.656 -3.992 1.00 0.00 H new ATOM 0 HA CYS A 223 2.131 12.242 -2.081 1.00 0.00 H new ATOM 0 HB2 CYS A 223 1.790 12.879 -5.024 1.00 0.00 H new ATOM 0 HB3 CYS A 223 0.576 12.149 -3.992 1.00 0.00 H new ATOM 0 HG CYS A 223 -0.088 14.873 -4.338 1.00 0.00 H new ATOM 48 N GLY A 224 3.120 10.032 -2.543 1.00 0.00 N ATOM 49 CA GLY A 224 3.511 8.679 -2.815 1.00 0.00 C ATOM 50 C GLY A 224 2.327 7.759 -2.855 1.00 0.00 C ATOM 51 O GLY A 224 1.433 7.850 -2.018 1.00 0.00 O ATOM 0 H GLY A 224 3.024 10.260 -1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 224 4.038 8.637 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 224 4.210 8.341 -2.050 1.00 0.00 H new ATOM 55 N ARG A 225 2.305 6.890 -3.832 1.00 0.00 N ATOM 56 CA ARG A 225 1.216 5.955 -3.997 1.00 0.00 C ATOM 57 C ARG A 225 1.718 4.663 -4.601 1.00 0.00 C ATOM 58 O ARG A 225 2.633 4.668 -5.431 1.00 0.00 O ATOM 59 CB ARG A 225 0.117 6.563 -4.869 1.00 0.00 C ATOM 60 CG ARG A 225 0.642 7.292 -6.093 1.00 0.00 C ATOM 61 CD ARG A 225 -0.477 7.950 -6.880 1.00 0.00 C ATOM 62 NE ARG A 225 0.049 8.815 -7.934 1.00 0.00 N ATOM 63 CZ ARG A 225 -0.523 8.999 -9.124 1.00 0.00 C ATOM 64 NH1 ARG A 225 -1.661 8.381 -9.427 1.00 0.00 N ATOM 65 NH2 ARG A 225 0.038 9.813 -10.006 1.00 0.00 N ATOM 0 H ARG A 225 3.039 6.808 -4.536 1.00 0.00 H new ATOM 0 HA ARG A 225 0.795 5.737 -3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 225 -0.559 5.771 -5.191 1.00 0.00 H new ATOM 0 HB3 ARG A 225 -0.469 7.257 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 225 1.363 8.049 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 225 1.173 6.589 -6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -1.114 7.183 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.103 8.535 -6.206 1.00 0.00 H new ATOM 0 HE ARG A 225 0.918 9.315 -7.745 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.102 7.762 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -2.093 8.526 -10.339 1.00 0.00 H new ATOM 0 HH21 ARG A 225 0.905 10.297 -9.774 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -0.397 9.956 -10.917 1.00 0.00 H new ATOM 68 N ALA A 226 1.146 3.564 -4.173 1.00 0.00 N ATOM 69 CA ALA A 226 1.540 2.269 -4.681 1.00 0.00 C ATOM 70 C ALA A 226 0.337 1.386 -4.903 1.00 0.00 C ATOM 71 O ALA A 226 -0.501 1.225 -4.008 1.00 0.00 O ATOM 72 CB ALA A 226 2.517 1.597 -3.732 1.00 0.00 C ATOM 0 H ALA A 226 0.405 3.539 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 226 2.034 2.422 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.802 0.624 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.406 2.219 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 226 2.046 1.465 -2.758 1.00 0.00 H new ATOM 78 N ARG A 227 0.227 0.851 -6.107 1.00 0.00 N ATOM 79 CA ARG A 227 -0.840 -0.064 -6.429 1.00 0.00 C ATOM 80 C ARG A 227 -0.545 -1.419 -5.807 1.00 0.00 C ATOM 81 O ARG A 227 0.418 -2.095 -6.178 1.00 0.00 O ATOM 82 CB ARG A 227 -1.014 -0.171 -7.947 1.00 0.00 C ATOM 83 CG ARG A 227 -2.274 -0.909 -8.377 1.00 0.00 C ATOM 84 CD ARG A 227 -2.530 -0.743 -9.870 1.00 0.00 C ATOM 85 NE ARG A 227 -1.458 -1.321 -10.678 1.00 0.00 N ATOM 86 CZ ARG A 227 -1.132 -0.918 -11.909 1.00 0.00 C ATOM 87 NH1 ARG A 227 -1.762 0.101 -12.472 1.00 0.00 N ATOM 88 NH2 ARG A 227 -0.162 -1.536 -12.568 1.00 0.00 N ATOM 0 H ARG A 227 0.869 1.039 -6.877 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.778 0.310 -6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.031 0.833 -8.372 1.00 0.00 H new ATOM 0 HB3 ARG A 227 -0.146 -0.680 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -2.177 -1.968 -8.138 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -3.129 -0.532 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -3.476 -1.218 -10.130 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -2.630 0.317 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 227 -0.920 -2.087 -10.273 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -2.503 0.585 -11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -1.506 0.402 -13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 227 0.332 -2.316 -12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 227 0.090 -1.231 -13.508 1.00 0.00 H new ATOM 91 N VAL A 228 -1.351 -1.787 -4.843 1.00 0.00 N ATOM 92 CA VAL A 228 -1.158 -3.019 -4.102 1.00 0.00 C ATOM 93 C VAL A 228 -1.537 -4.257 -4.940 1.00 0.00 C ATOM 94 O VAL A 228 -2.436 -4.200 -5.782 1.00 0.00 O ATOM 95 CB VAL A 228 -1.943 -2.979 -2.766 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.404 -2.697 -3.004 1.00 0.00 C ATOM 97 CG2 VAL A 228 -1.766 -4.257 -1.977 1.00 0.00 C ATOM 0 H VAL A 228 -2.162 -1.244 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.096 -3.106 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.530 -2.164 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -3.930 -2.675 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.512 -1.733 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -3.828 -3.479 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.331 -4.192 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.130 -5.100 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -0.710 -4.401 -1.750 1.00 0.00 H new ATOM 107 N HIS A 229 -0.857 -5.373 -4.680 1.00 0.00 N ATOM 108 CA HIS A 229 -1.051 -6.608 -5.444 1.00 0.00 C ATOM 109 C HIS A 229 -1.747 -7.662 -4.599 1.00 0.00 C ATOM 110 O HIS A 229 -2.370 -8.583 -5.127 1.00 0.00 O ATOM 111 CB HIS A 229 0.296 -7.186 -5.902 1.00 0.00 C ATOM 112 CG HIS A 229 0.923 -6.518 -7.080 1.00 0.00 C ATOM 113 ND1 HIS A 229 0.984 -7.105 -8.322 1.00 0.00 N ATOM 114 CD2 HIS A 229 1.575 -5.341 -7.193 1.00 0.00 C ATOM 115 CE1 HIS A 229 1.646 -6.325 -9.144 1.00 0.00 C ATOM 116 NE2 HIS A 229 2.018 -5.245 -8.489 1.00 0.00 N ATOM 0 H HIS A 229 -0.160 -5.448 -3.939 1.00 0.00 H new ATOM 0 HA HIS A 229 -1.664 -6.356 -6.310 1.00 0.00 H new ATOM 0 HB2 HIS A 229 0.994 -7.137 -5.066 1.00 0.00 H new ATOM 0 HB3 HIS A 229 0.156 -8.241 -6.138 1.00 0.00 H new ATOM 0 HD2 HIS A 229 1.721 -4.611 -6.410 1.00 0.00 H new ATOM 0 HE1 HIS A 229 1.851 -6.534 -10.184 1.00 0.00 H new ATOM 0 HE2 HIS A 229 2.548 -4.466 -8.880 1.00 0.00 H new ATOM 121 N THR A 230 -1.658 -7.516 -3.296 1.00 0.00 N ATOM 122 CA THR A 230 -2.171 -8.518 -2.385 1.00 0.00 C ATOM 123 C THR A 230 -3.111 -7.897 -1.363 1.00 0.00 C ATOM 124 O THR A 230 -2.874 -6.796 -0.884 1.00 0.00 O ATOM 125 CB THR A 230 -1.007 -9.216 -1.647 1.00 0.00 C ATOM 126 OG1 THR A 230 0.007 -9.584 -2.591 1.00 0.00 O ATOM 127 CG2 THR A 230 -1.489 -10.464 -0.917 1.00 0.00 C ATOM 0 H THR A 230 -1.233 -6.709 -2.840 1.00 0.00 H new ATOM 0 HA THR A 230 -2.724 -9.250 -2.973 1.00 0.00 H new ATOM 0 HB THR A 230 -0.602 -8.519 -0.913 1.00 0.00 H new ATOM 0 HG1 THR A 230 0.746 -10.025 -2.122 1.00 0.00 H new ATOM 0 HG21 THR A 230 -0.649 -10.934 -0.407 1.00 0.00 H new ATOM 0 HG22 THR A 230 -2.249 -10.187 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 230 -1.915 -11.164 -1.636 1.00 0.00 H new ATOM 134 N ASP A 231 -4.178 -8.602 -1.044 1.00 0.00 N ATOM 135 CA ASP A 231 -5.123 -8.143 -0.049 1.00 0.00 C ATOM 136 C ASP A 231 -4.518 -8.302 1.339 1.00 0.00 C ATOM 137 O ASP A 231 -3.434 -8.879 1.498 1.00 0.00 O ATOM 138 CB ASP A 231 -6.429 -8.939 -0.134 1.00 0.00 C ATOM 139 CG ASP A 231 -6.271 -10.370 0.343 1.00 0.00 C ATOM 140 OD1 ASP A 231 -5.796 -11.218 -0.443 1.00 0.00 O ATOM 141 OD2 ASP A 231 -6.620 -10.654 1.510 1.00 0.00 O ATOM 0 H ASP A 231 -4.412 -9.502 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 231 -5.344 -7.092 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -7.193 -8.442 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -6.783 -8.940 -1.165 1.00 0.00 H new ATOM 144 N PHE A 232 -5.207 -7.814 2.332 1.00 0.00 N ATOM 145 CA PHE A 232 -4.731 -7.904 3.686 1.00 0.00 C ATOM 146 C PHE A 232 -5.896 -8.174 4.608 1.00 0.00 C ATOM 147 O PHE A 232 -6.869 -7.418 4.632 1.00 0.00 O ATOM 148 CB PHE A 232 -4.008 -6.618 4.085 1.00 0.00 C ATOM 149 CG PHE A 232 -3.083 -6.765 5.261 1.00 0.00 C ATOM 150 CD1 PHE A 232 -3.559 -6.677 6.557 1.00 0.00 C ATOM 151 CD2 PHE A 232 -1.729 -6.984 5.063 1.00 0.00 C ATOM 152 CE1 PHE A 232 -2.704 -6.806 7.632 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.870 -7.115 6.134 1.00 0.00 C ATOM 154 CZ PHE A 232 -1.358 -7.026 7.421 1.00 0.00 C ATOM 0 H PHE A 232 -6.107 -7.346 2.229 1.00 0.00 H new ATOM 0 HA PHE A 232 -4.018 -8.725 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -3.435 -6.258 3.231 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -4.751 -5.854 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -4.611 -6.505 6.729 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -1.342 -7.053 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 232 -3.088 -6.735 8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 232 0.183 -7.287 5.965 1.00 0.00 H new ATOM 0 HZ PHE A 232 -0.688 -7.128 8.262 1.00 0.00 H new ATOM 160 N THR A 233 -5.803 -9.246 5.354 1.00 0.00 N ATOM 161 CA THR A 233 -6.865 -9.633 6.247 1.00 0.00 C ATOM 162 C THR A 233 -6.302 -10.026 7.613 1.00 0.00 C ATOM 163 O THR A 233 -5.817 -11.146 7.804 1.00 0.00 O ATOM 164 CB THR A 233 -7.690 -10.801 5.661 1.00 0.00 C ATOM 165 OG1 THR A 233 -8.157 -10.453 4.341 1.00 0.00 O ATOM 166 CG2 THR A 233 -8.886 -11.118 6.550 1.00 0.00 C ATOM 0 H THR A 233 -4.996 -9.870 5.360 1.00 0.00 H new ATOM 0 HA THR A 233 -7.525 -8.774 6.369 1.00 0.00 H new ATOM 0 HB THR A 233 -7.049 -11.681 5.608 1.00 0.00 H new ATOM 0 HG1 THR A 233 -7.439 -10.599 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 233 -9.452 -11.943 6.118 1.00 0.00 H new ATOM 0 HG22 THR A 233 -8.537 -11.399 7.544 1.00 0.00 H new ATOM 0 HG23 THR A 233 -9.526 -10.239 6.626 1.00 0.00 H new ATOM 173 N PRO A 234 -6.321 -9.087 8.564 1.00 0.00 N ATOM 174 CA PRO A 234 -5.864 -9.318 9.914 1.00 0.00 C ATOM 175 C PRO A 234 -7.030 -9.641 10.838 1.00 0.00 C ATOM 176 O PRO A 234 -8.130 -9.960 10.376 1.00 0.00 O ATOM 177 CB PRO A 234 -5.261 -7.963 10.274 1.00 0.00 C ATOM 178 CG PRO A 234 -6.097 -6.958 9.528 1.00 0.00 C ATOM 179 CD PRO A 234 -6.783 -7.703 8.394 1.00 0.00 C ATOM 0 HA PRO A 234 -5.174 -10.157 10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -5.297 -7.787 11.349 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -4.214 -7.905 9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -6.833 -6.501 10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -5.475 -6.152 9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -7.868 -7.631 8.465 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -6.500 -7.302 7.421 1.00 0.00 H new ATOM 187 N SER A 235 -6.794 -9.576 12.128 1.00 0.00 N ATOM 188 CA SER A 235 -7.843 -9.794 13.092 1.00 0.00 C ATOM 189 C SER A 235 -8.791 -8.588 13.091 1.00 0.00 C ATOM 190 O SER A 235 -8.341 -7.449 12.985 1.00 0.00 O ATOM 191 CB SER A 235 -7.236 -10.009 14.478 1.00 0.00 C ATOM 192 OG SER A 235 -6.266 -11.046 14.446 1.00 0.00 O ATOM 0 H SER A 235 -5.880 -9.373 12.533 1.00 0.00 H new ATOM 0 HA SER A 235 -8.411 -10.686 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 235 -6.776 -9.084 14.826 1.00 0.00 H new ATOM 0 HB3 SER A 235 -8.022 -10.261 15.190 1.00 0.00 H new ATOM 0 HG SER A 235 -5.888 -11.168 15.342 1.00 0.00 H new ATOM 198 N PRO A 236 -10.111 -8.828 13.207 1.00 0.00 N ATOM 199 CA PRO A 236 -11.136 -7.760 13.174 1.00 0.00 C ATOM 200 C PRO A 236 -10.948 -6.677 14.254 1.00 0.00 C ATOM 201 O PRO A 236 -11.586 -5.623 14.202 1.00 0.00 O ATOM 202 CB PRO A 236 -12.460 -8.514 13.393 1.00 0.00 C ATOM 203 CG PRO A 236 -12.066 -9.844 13.944 1.00 0.00 C ATOM 204 CD PRO A 236 -10.719 -10.156 13.365 1.00 0.00 C ATOM 0 HA PRO A 236 -11.086 -7.209 12.235 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -13.109 -7.977 14.085 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -13.011 -8.622 12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -12.025 -9.817 15.033 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -12.793 -10.609 13.671 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -10.132 -10.792 14.028 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -10.801 -10.678 12.412 1.00 0.00 H new ATOM 212 N TYR A 237 -10.069 -6.929 15.212 1.00 0.00 N ATOM 213 CA TYR A 237 -9.832 -5.987 16.292 1.00 0.00 C ATOM 214 C TYR A 237 -8.408 -5.408 16.214 1.00 0.00 C ATOM 215 O TYR A 237 -8.077 -4.450 16.913 1.00 0.00 O ATOM 216 CB TYR A 237 -10.079 -6.665 17.653 1.00 0.00 C ATOM 217 CG TYR A 237 -9.688 -5.829 18.849 1.00 0.00 C ATOM 218 CD1 TYR A 237 -10.337 -4.636 19.136 1.00 0.00 C ATOM 219 CD2 TYR A 237 -8.657 -6.230 19.682 1.00 0.00 C ATOM 220 CE1 TYR A 237 -9.965 -3.871 20.222 1.00 0.00 C ATOM 221 CE2 TYR A 237 -8.283 -5.475 20.769 1.00 0.00 C ATOM 222 CZ TYR A 237 -8.938 -4.295 21.035 1.00 0.00 C ATOM 223 OH TYR A 237 -8.561 -3.532 22.118 1.00 0.00 O ATOM 0 H TYR A 237 -9.508 -7.779 15.262 1.00 0.00 H new ATOM 0 HA TYR A 237 -10.532 -5.158 16.188 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -11.136 -6.918 17.732 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -9.524 -7.603 17.684 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -11.144 -4.302 18.501 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -8.137 -7.153 19.474 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -10.477 -2.944 20.433 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -7.480 -5.807 21.410 1.00 0.00 H new ATOM 0 HH TYR A 237 -7.823 -3.973 22.588 1.00 0.00 H new ATOM 229 N ASP A 238 -7.577 -5.984 15.346 1.00 0.00 N ATOM 230 CA ASP A 238 -6.193 -5.526 15.188 1.00 0.00 C ATOM 231 C ASP A 238 -6.150 -4.058 14.792 1.00 0.00 C ATOM 232 O ASP A 238 -6.785 -3.645 13.819 1.00 0.00 O ATOM 233 CB ASP A 238 -5.454 -6.371 14.140 1.00 0.00 C ATOM 234 CG ASP A 238 -4.038 -5.876 13.875 1.00 0.00 C ATOM 235 OD1 ASP A 238 -3.875 -4.911 13.097 1.00 0.00 O ATOM 236 OD2 ASP A 238 -3.086 -6.456 14.438 1.00 0.00 O ATOM 0 H ASP A 238 -7.834 -6.765 14.743 1.00 0.00 H new ATOM 0 HA ASP A 238 -5.693 -5.644 16.149 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -5.415 -7.407 14.477 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -6.018 -6.360 13.208 1.00 0.00 H new ATOM 239 N THR A 239 -5.420 -3.279 15.552 1.00 0.00 N ATOM 240 CA THR A 239 -5.274 -1.865 15.285 1.00 0.00 C ATOM 241 C THR A 239 -3.812 -1.529 15.023 1.00 0.00 C ATOM 242 O THR A 239 -3.357 -0.412 15.268 1.00 0.00 O ATOM 243 CB THR A 239 -5.800 -1.031 16.472 1.00 0.00 C ATOM 244 OG1 THR A 239 -5.259 -1.534 17.704 1.00 0.00 O ATOM 245 CG2 THR A 239 -7.321 -1.074 16.533 1.00 0.00 C ATOM 0 H THR A 239 -4.910 -3.605 16.373 1.00 0.00 H new ATOM 0 HA THR A 239 -5.861 -1.620 14.400 1.00 0.00 H new ATOM 0 HB THR A 239 -5.484 0.002 16.328 1.00 0.00 H new ATOM 0 HG1 THR A 239 -5.596 -0.998 18.452 1.00 0.00 H new ATOM 0 HG21 THR A 239 -7.668 -0.479 17.378 1.00 0.00 H new ATOM 0 HG22 THR A 239 -7.734 -0.668 15.609 1.00 0.00 H new ATOM 0 HG23 THR A 239 -7.651 -2.106 16.656 1.00 0.00 H new ATOM 252 N ASP A 240 -3.082 -2.508 14.513 1.00 0.00 N ATOM 253 CA ASP A 240 -1.661 -2.350 14.234 1.00 0.00 C ATOM 254 C ASP A 240 -1.385 -2.430 12.738 1.00 0.00 C ATOM 255 O ASP A 240 -0.354 -1.970 12.264 1.00 0.00 O ATOM 256 CB ASP A 240 -0.857 -3.429 14.982 1.00 0.00 C ATOM 257 CG ASP A 240 0.598 -3.516 14.540 1.00 0.00 C ATOM 258 OD1 ASP A 240 1.373 -2.573 14.817 1.00 0.00 O ATOM 259 OD2 ASP A 240 0.975 -4.539 13.912 1.00 0.00 O ATOM 0 H ASP A 240 -3.453 -3.429 14.282 1.00 0.00 H new ATOM 0 HA ASP A 240 -1.350 -1.365 14.582 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -0.892 -3.221 16.051 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -1.334 -4.397 14.830 1.00 0.00 H new ATOM 262 N SER A 241 -2.319 -2.981 11.997 1.00 0.00 N ATOM 263 CA SER A 241 -2.135 -3.177 10.577 1.00 0.00 C ATOM 264 C SER A 241 -3.103 -2.324 9.769 1.00 0.00 C ATOM 265 O SER A 241 -3.988 -1.661 10.321 1.00 0.00 O ATOM 266 CB SER A 241 -2.351 -4.645 10.239 1.00 0.00 C ATOM 267 OG SER A 241 -1.602 -5.473 11.108 1.00 0.00 O ATOM 0 H SER A 241 -3.218 -3.303 12.356 1.00 0.00 H new ATOM 0 HA SER A 241 -1.120 -2.876 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 241 -3.410 -4.890 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 241 -2.057 -4.833 9.206 1.00 0.00 H new ATOM 0 HG SER A 241 -2.057 -5.535 11.974 1.00 0.00 H new ATOM 273 N LEU A 242 -2.930 -2.350 8.465 1.00 0.00 N ATOM 274 CA LEU A 242 -3.793 -1.634 7.564 1.00 0.00 C ATOM 275 C LEU A 242 -4.535 -2.633 6.695 1.00 0.00 C ATOM 276 O LEU A 242 -3.919 -3.406 5.960 1.00 0.00 O ATOM 277 CB LEU A 242 -2.973 -0.672 6.699 1.00 0.00 C ATOM 278 CG LEU A 242 -3.757 0.186 5.701 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.752 1.081 6.418 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.802 1.018 4.861 1.00 0.00 C ATOM 0 H LEU A 242 -2.184 -2.871 8.004 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.513 -1.046 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.419 -0.006 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -2.237 -1.254 6.144 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.316 -0.479 5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.295 1.680 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.456 0.466 6.979 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -4.220 1.741 7.104 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.371 1.623 4.156 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -2.219 1.670 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -2.130 0.358 4.313 1.00 0.00 H new ATOM 292 N LYS A 243 -5.848 -2.634 6.795 1.00 0.00 N ATOM 293 CA LYS A 243 -6.654 -3.557 6.028 1.00 0.00 C ATOM 294 C LYS A 243 -6.790 -3.073 4.593 1.00 0.00 C ATOM 295 O LYS A 243 -7.712 -2.330 4.255 1.00 0.00 O ATOM 296 CB LYS A 243 -8.030 -3.750 6.665 1.00 0.00 C ATOM 297 CG LYS A 243 -8.888 -4.787 5.964 1.00 0.00 C ATOM 298 CD LYS A 243 -10.228 -4.941 6.645 1.00 0.00 C ATOM 299 CE LYS A 243 -11.088 -5.972 5.940 1.00 0.00 C ATOM 300 NZ LYS A 243 -12.394 -6.152 6.615 1.00 0.00 N ATOM 0 H LYS A 243 -6.378 -2.006 7.399 1.00 0.00 H new ATOM 0 HA LYS A 243 -6.151 -4.524 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.900 -4.043 7.707 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -8.557 -2.796 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -9.037 -4.496 4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -8.370 -5.746 5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -10.079 -5.237 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -10.744 -3.981 6.658 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -11.252 -5.664 4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -10.560 -6.925 5.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -12.954 -6.864 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -12.238 -6.470 7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -12.908 -5.248 6.623 1.00 0.00 H new ATOM 303 N ILE A 244 -5.849 -3.464 3.772 1.00 0.00 N ATOM 304 CA ILE A 244 -5.846 -3.085 2.383 1.00 0.00 C ATOM 305 C ILE A 244 -6.498 -4.162 1.536 1.00 0.00 C ATOM 306 O ILE A 244 -6.572 -5.326 1.935 1.00 0.00 O ATOM 307 CB ILE A 244 -4.408 -2.813 1.866 1.00 0.00 C ATOM 308 CG1 ILE A 244 -3.528 -4.055 2.050 1.00 0.00 C ATOM 309 CG2 ILE A 244 -3.804 -1.618 2.589 1.00 0.00 C ATOM 310 CD1 ILE A 244 -2.073 -3.849 1.689 1.00 0.00 C ATOM 0 H ILE A 244 -5.064 -4.054 4.048 1.00 0.00 H new ATOM 0 HA ILE A 244 -6.419 -2.161 2.298 1.00 0.00 H new ATOM 0 HB ILE A 244 -4.459 -2.584 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -3.590 -4.378 3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -3.930 -4.864 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -2.795 -1.439 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -4.419 -0.736 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -3.764 -1.822 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -1.524 -4.777 1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -1.996 -3.557 0.642 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -1.650 -3.064 2.316 1.00 0.00 H new ATOM 321 N LYS A 245 -6.986 -3.765 0.393 1.00 0.00 N ATOM 322 CA LYS A 245 -7.608 -4.677 -0.537 1.00 0.00 C ATOM 323 C LYS A 245 -6.630 -4.935 -1.674 1.00 0.00 C ATOM 324 O LYS A 245 -5.601 -4.284 -1.749 1.00 0.00 O ATOM 325 CB LYS A 245 -8.927 -4.061 -1.047 1.00 0.00 C ATOM 326 CG LYS A 245 -9.751 -4.951 -1.970 1.00 0.00 C ATOM 327 CD LYS A 245 -11.180 -4.440 -2.104 1.00 0.00 C ATOM 328 CE LYS A 245 -11.227 -2.994 -2.583 1.00 0.00 C ATOM 329 NZ LYS A 245 -12.615 -2.465 -2.627 1.00 0.00 N ATOM 0 H LYS A 245 -6.965 -2.796 0.076 1.00 0.00 H new ATOM 0 HA LYS A 245 -7.849 -5.627 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -9.540 -3.793 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.696 -3.135 -1.574 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -9.283 -4.990 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -9.762 -5.969 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -11.727 -5.072 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -11.685 -4.520 -1.141 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -10.624 -2.373 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -10.782 -2.927 -3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -12.600 -1.479 -2.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -13.185 -3.041 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -13.032 -2.504 -1.675 1.00 0.00 H new ATOM 332 N LYS A 246 -6.940 -5.863 -2.551 1.00 0.00 N ATOM 333 CA LYS A 246 -6.055 -6.160 -3.657 1.00 0.00 C ATOM 334 C LYS A 246 -6.368 -5.236 -4.832 1.00 0.00 C ATOM 335 O LYS A 246 -7.526 -4.840 -5.018 1.00 0.00 O ATOM 336 CB LYS A 246 -6.135 -7.658 -4.049 1.00 0.00 C ATOM 337 CG LYS A 246 -7.551 -8.225 -4.193 1.00 0.00 C ATOM 338 CD LYS A 246 -8.198 -7.827 -5.507 1.00 0.00 C ATOM 339 CE LYS A 246 -9.629 -8.325 -5.592 1.00 0.00 C ATOM 340 NZ LYS A 246 -10.267 -7.969 -6.885 1.00 0.00 N ATOM 0 H LYS A 246 -7.792 -6.423 -2.522 1.00 0.00 H new ATOM 0 HA LYS A 246 -5.025 -5.975 -3.351 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -5.608 -7.798 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -5.603 -8.242 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -7.514 -9.312 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -8.167 -7.873 -3.366 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -8.182 -6.742 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -7.620 -8.233 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -9.644 -9.408 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -10.210 -7.901 -4.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -11.243 -8.328 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -10.277 -6.935 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -9.729 -8.395 -7.667 1.00 0.00 H new ATOM 343 N GLY A 247 -5.345 -4.892 -5.613 1.00 0.00 N ATOM 344 CA GLY A 247 -5.531 -3.972 -6.723 1.00 0.00 C ATOM 345 C GLY A 247 -6.134 -2.656 -6.279 1.00 0.00 C ATOM 346 O GLY A 247 -7.222 -2.274 -6.723 1.00 0.00 O ATOM 0 H GLY A 247 -4.391 -5.234 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -4.571 -3.786 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.177 -4.432 -7.470 1.00 0.00 H new ATOM 350 N ASP A 248 -5.438 -1.963 -5.406 1.00 0.00 N ATOM 351 CA ASP A 248 -5.918 -0.700 -4.881 1.00 0.00 C ATOM 352 C ASP A 248 -4.785 0.314 -4.905 1.00 0.00 C ATOM 353 O ASP A 248 -3.718 0.032 -5.456 1.00 0.00 O ATOM 354 CB ASP A 248 -6.449 -0.877 -3.453 1.00 0.00 C ATOM 355 CG ASP A 248 -7.662 -0.017 -3.182 1.00 0.00 C ATOM 356 OD1 ASP A 248 -7.521 1.220 -3.128 1.00 0.00 O ATOM 357 OD2 ASP A 248 -8.769 -0.576 -3.055 1.00 0.00 O ATOM 0 H ASP A 248 -4.531 -2.254 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 248 -6.738 -0.341 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -6.705 -1.924 -3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -5.662 -0.626 -2.741 1.00 0.00 H new ATOM 360 N ILE A 249 -4.981 1.455 -4.276 1.00 0.00 N ATOM 361 CA ILE A 249 -3.987 2.520 -4.304 1.00 0.00 C ATOM 362 C ILE A 249 -3.724 3.022 -2.892 1.00 0.00 C ATOM 363 O ILE A 249 -4.540 3.742 -2.317 1.00 0.00 O ATOM 364 CB ILE A 249 -4.442 3.716 -5.191 1.00 0.00 C ATOM 365 CG1 ILE A 249 -4.715 3.262 -6.637 1.00 0.00 C ATOM 366 CG2 ILE A 249 -3.397 4.830 -5.170 1.00 0.00 C ATOM 367 CD1 ILE A 249 -3.484 2.786 -7.385 1.00 0.00 C ATOM 0 H ILE A 249 -5.819 1.673 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.076 2.103 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.372 4.105 -4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.449 2.457 -6.620 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.162 4.090 -7.187 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.734 5.657 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.260 5.181 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.450 4.448 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -3.765 2.485 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -2.755 3.594 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.046 1.936 -6.862 1.00 0.00 H new ATOM 378 N ILE A 250 -2.598 2.634 -2.331 1.00 0.00 N ATOM 379 CA ILE A 250 -2.254 3.042 -0.982 1.00 0.00 C ATOM 380 C ILE A 250 -1.537 4.385 -1.002 1.00 0.00 C ATOM 381 O ILE A 250 -0.578 4.578 -1.768 1.00 0.00 O ATOM 382 CB ILE A 250 -1.362 1.994 -0.278 1.00 0.00 C ATOM 383 CG1 ILE A 250 -1.982 0.598 -0.411 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.186 2.357 1.197 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.115 -0.511 0.138 1.00 0.00 C ATOM 0 H ILE A 250 -1.906 2.038 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.185 3.131 -0.422 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.382 1.989 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -2.941 0.586 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.185 0.400 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -0.556 1.612 1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -0.716 3.337 1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.161 2.381 1.685 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -1.622 -1.467 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.165 -0.528 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -0.932 -0.339 1.199 1.00 0.00 H new ATOM 396 N ASP A 251 -2.009 5.310 -0.173 1.00 0.00 N ATOM 397 CA ASP A 251 -1.419 6.639 -0.085 1.00 0.00 C ATOM 398 C ASP A 251 -0.250 6.629 0.889 1.00 0.00 C ATOM 399 O ASP A 251 -0.430 6.732 2.105 1.00 0.00 O ATOM 400 CB ASP A 251 -2.467 7.663 0.348 1.00 0.00 C ATOM 401 CG ASP A 251 -1.963 9.092 0.288 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.243 9.523 1.207 1.00 0.00 O ATOM 403 OD2 ASP A 251 -2.297 9.800 -0.685 1.00 0.00 O ATOM 0 H ASP A 251 -2.803 5.162 0.450 1.00 0.00 H new ATOM 0 HA ASP A 251 -1.050 6.923 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -3.346 7.567 -0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.786 7.439 1.366 1.00 0.00 H new ATOM 406 N ILE A 252 0.929 6.445 0.342 1.00 0.00 N ATOM 407 CA ILE A 252 2.155 6.380 1.120 1.00 0.00 C ATOM 408 C ILE A 252 2.572 7.760 1.617 1.00 0.00 C ATOM 409 O ILE A 252 2.807 8.673 0.821 1.00 0.00 O ATOM 410 CB ILE A 252 3.312 5.795 0.290 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.810 4.661 -0.605 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.413 5.292 1.214 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.860 4.129 -1.551 1.00 0.00 C ATOM 0 H ILE A 252 1.071 6.335 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 252 1.948 5.732 1.972 1.00 0.00 H new ATOM 0 HB ILE A 252 3.717 6.581 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.451 3.845 0.023 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.957 5.016 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.228 4.880 0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.787 6.119 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 252 4.013 4.517 1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.434 3.327 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.202 4.932 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.703 3.743 -0.979 1.00 0.00 H new ATOM 424 N ILE A 253 2.668 7.905 2.925 1.00 0.00 N ATOM 425 CA ILE A 253 3.091 9.162 3.528 1.00 0.00 C ATOM 426 C ILE A 253 4.486 9.027 4.144 1.00 0.00 C ATOM 427 O ILE A 253 5.202 10.017 4.323 1.00 0.00 O ATOM 428 CB ILE A 253 2.085 9.647 4.601 1.00 0.00 C ATOM 429 CG1 ILE A 253 1.812 8.538 5.629 1.00 0.00 C ATOM 430 CG2 ILE A 253 0.789 10.109 3.943 1.00 0.00 C ATOM 431 CD1 ILE A 253 0.827 8.928 6.712 1.00 0.00 C ATOM 0 H ILE A 253 2.458 7.166 3.596 1.00 0.00 H new ATOM 0 HA ILE A 253 3.124 9.907 2.733 1.00 0.00 H new ATOM 0 HB ILE A 253 2.523 10.495 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 253 1.433 7.659 5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 253 2.754 8.250 6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 253 0.092 10.447 4.710 1.00 0.00 H new ATOM 0 HG22 ILE A 253 1.001 10.930 3.258 1.00 0.00 H new ATOM 0 HG23 ILE A 253 0.346 9.281 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 253 0.689 8.091 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 253 1.212 9.787 7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 253 -0.130 9.187 6.258 1.00 0.00 H new ATOM 442 N CYS A 254 4.866 7.792 4.438 1.00 0.00 N ATOM 443 CA CYS A 254 6.172 7.499 5.021 1.00 0.00 C ATOM 444 C CYS A 254 6.695 6.159 4.526 1.00 0.00 C ATOM 445 O CYS A 254 5.930 5.211 4.354 1.00 0.00 O ATOM 446 CB CYS A 254 6.104 7.495 6.553 1.00 0.00 C ATOM 447 SG CYS A 254 5.410 9.001 7.280 1.00 0.00 S ATOM 0 H CYS A 254 4.284 6.969 4.282 1.00 0.00 H new ATOM 0 HA CYS A 254 6.857 8.285 4.705 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.506 6.643 6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 254 7.109 7.346 6.948 1.00 0.00 H new ATOM 0 HG CYS A 254 5.282 9.909 6.358 1.00 0.00 H new ATOM 453 N LYS A 255 7.990 6.088 4.289 1.00 0.00 N ATOM 454 CA LYS A 255 8.618 4.865 3.829 1.00 0.00 C ATOM 455 C LYS A 255 9.640 4.371 4.841 1.00 0.00 C ATOM 456 O LYS A 255 9.959 5.062 5.814 1.00 0.00 O ATOM 457 CB LYS A 255 9.314 5.054 2.466 1.00 0.00 C ATOM 458 CG LYS A 255 8.387 5.283 1.273 1.00 0.00 C ATOM 459 CD LYS A 255 7.888 6.717 1.203 1.00 0.00 C ATOM 460 CE LYS A 255 7.281 7.022 -0.160 1.00 0.00 C ATOM 461 NZ LYS A 255 8.290 6.931 -1.250 1.00 0.00 N ATOM 0 H LYS A 255 8.633 6.871 4.409 1.00 0.00 H new ATOM 0 HA LYS A 255 7.824 4.127 3.715 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.995 5.902 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.923 4.173 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.916 5.038 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.535 4.606 1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 255 7.144 6.884 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 255 8.713 7.402 1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 255 6.467 6.325 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 255 6.848 8.022 -0.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 8.305 7.823 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 9.230 6.758 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 8.041 6.149 -1.889 1.00 0.00 H new ATOM 464 N THR A 256 10.141 3.183 4.599 1.00 0.00 N ATOM 465 CA THR A 256 11.155 2.572 5.423 1.00 0.00 C ATOM 466 C THR A 256 12.078 1.751 4.526 1.00 0.00 C ATOM 467 O THR A 256 11.595 0.957 3.712 1.00 0.00 O ATOM 468 CB THR A 256 10.523 1.643 6.492 1.00 0.00 C ATOM 469 OG1 THR A 256 9.510 2.349 7.224 1.00 0.00 O ATOM 470 CG2 THR A 256 11.577 1.131 7.463 1.00 0.00 C ATOM 0 H THR A 256 9.850 2.605 3.811 1.00 0.00 H new ATOM 0 HA THR A 256 11.711 3.355 5.939 1.00 0.00 H new ATOM 0 HB THR A 256 10.078 0.793 5.975 1.00 0.00 H new ATOM 0 HG1 THR A 256 8.670 1.845 7.190 1.00 0.00 H new ATOM 0 HG21 THR A 256 11.107 0.482 8.202 1.00 0.00 H new ATOM 0 HG22 THR A 256 12.334 0.569 6.916 1.00 0.00 H new ATOM 0 HG23 THR A 256 12.047 1.975 7.968 1.00 0.00 H new ATOM 477 N PRO A 257 13.409 1.954 4.631 1.00 0.00 N ATOM 478 CA PRO A 257 14.398 1.219 3.822 1.00 0.00 C ATOM 479 C PRO A 257 14.137 -0.289 3.816 1.00 0.00 C ATOM 480 O PRO A 257 14.213 -0.946 2.772 1.00 0.00 O ATOM 481 CB PRO A 257 15.717 1.531 4.529 1.00 0.00 C ATOM 482 CG PRO A 257 15.503 2.879 5.123 1.00 0.00 C ATOM 483 CD PRO A 257 14.057 2.930 5.535 1.00 0.00 C ATOM 0 HA PRO A 257 14.376 1.513 2.773 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.943 0.790 5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 257 16.553 1.532 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 257 16.158 3.035 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 257 15.730 3.663 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.927 2.656 6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 257 13.639 3.929 5.413 1.00 0.00 H new ATOM 491 N MET A 258 13.814 -0.825 4.977 1.00 0.00 N ATOM 492 CA MET A 258 13.516 -2.233 5.109 1.00 0.00 C ATOM 493 C MET A 258 12.430 -2.433 6.157 1.00 0.00 C ATOM 494 O MET A 258 12.627 -2.118 7.328 1.00 0.00 O ATOM 495 CB MET A 258 14.779 -3.002 5.508 1.00 0.00 C ATOM 496 CG MET A 258 14.628 -4.510 5.446 1.00 0.00 C ATOM 497 SD MET A 258 14.340 -5.100 3.767 1.00 0.00 S ATOM 498 CE MET A 258 14.223 -6.861 4.049 1.00 0.00 C ATOM 0 H MET A 258 13.752 -0.299 5.848 1.00 0.00 H new ATOM 0 HA MET A 258 13.161 -2.614 4.151 1.00 0.00 H new ATOM 0 HB2 MET A 258 15.597 -2.702 4.853 1.00 0.00 H new ATOM 0 HB3 MET A 258 15.061 -2.717 6.522 1.00 0.00 H new ATOM 0 HG2 MET A 258 15.527 -4.980 5.845 1.00 0.00 H new ATOM 0 HG3 MET A 258 13.799 -4.816 6.084 1.00 0.00 H new ATOM 0 HE1 MET A 258 14.045 -7.370 3.102 1.00 0.00 H new ATOM 0 HE2 MET A 258 15.154 -7.222 4.486 1.00 0.00 H new ATOM 0 HE3 MET A 258 13.399 -7.066 4.732 1.00 0.00 H new ATOM 508 N GLY A 259 11.281 -2.926 5.740 1.00 0.00 N ATOM 509 CA GLY A 259 10.210 -3.153 6.681 1.00 0.00 C ATOM 510 C GLY A 259 8.857 -2.718 6.166 1.00 0.00 C ATOM 511 O GLY A 259 8.484 -3.019 5.031 1.00 0.00 O ATOM 0 H GLY A 259 11.069 -3.172 4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.172 -4.214 6.929 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.428 -2.618 7.605 1.00 0.00 H new ATOM 515 N MET A 260 8.130 -1.997 6.997 1.00 0.00 N ATOM 516 CA MET A 260 6.782 -1.563 6.674 1.00 0.00 C ATOM 517 C MET A 260 6.727 -0.073 6.371 1.00 0.00 C ATOM 518 O MET A 260 7.443 0.724 6.975 1.00 0.00 O ATOM 519 CB MET A 260 5.818 -1.903 7.827 1.00 0.00 C ATOM 520 CG MET A 260 6.110 -1.180 9.150 1.00 0.00 C ATOM 521 SD MET A 260 7.715 -1.614 9.877 1.00 0.00 S ATOM 522 CE MET A 260 7.534 -3.388 10.100 1.00 0.00 C ATOM 0 H MET A 260 8.456 -1.695 7.915 1.00 0.00 H new ATOM 0 HA MET A 260 6.472 -2.098 5.776 1.00 0.00 H new ATOM 0 HB2 MET A 260 4.802 -1.661 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 260 5.850 -2.978 8.003 1.00 0.00 H new ATOM 0 HG2 MET A 260 6.076 -0.104 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 260 5.321 -1.415 9.865 1.00 0.00 H new ATOM 0 HE1 MET A 260 8.303 -3.749 10.783 1.00 0.00 H new ATOM 0 HE2 MET A 260 6.549 -3.604 10.515 1.00 0.00 H new ATOM 0 HE3 MET A 260 7.640 -3.888 9.137 1.00 0.00 H new ATOM 532 N TRP A 261 5.885 0.285 5.428 1.00 0.00 N ATOM 533 CA TRP A 261 5.686 1.675 5.053 1.00 0.00 C ATOM 534 C TRP A 261 4.391 2.193 5.652 1.00 0.00 C ATOM 535 O TRP A 261 3.464 1.422 5.889 1.00 0.00 O ATOM 536 CB TRP A 261 5.654 1.826 3.529 1.00 0.00 C ATOM 537 CG TRP A 261 6.965 1.547 2.854 1.00 0.00 C ATOM 538 CD1 TRP A 261 8.139 1.195 3.448 1.00 0.00 C ATOM 539 CD2 TRP A 261 7.229 1.599 1.451 1.00 0.00 C ATOM 540 NE1 TRP A 261 9.118 1.040 2.503 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.585 1.276 1.268 1.00 0.00 C ATOM 542 CE3 TRP A 261 6.448 1.888 0.333 1.00 0.00 C ATOM 543 CZ2 TRP A 261 9.177 1.237 0.011 1.00 0.00 C ATOM 544 CZ3 TRP A 261 7.034 1.846 -0.913 1.00 0.00 C ATOM 545 CH2 TRP A 261 8.387 1.523 -1.066 1.00 0.00 C ATOM 0 H TRP A 261 5.317 -0.375 4.897 1.00 0.00 H new ATOM 0 HA TRP A 261 6.520 2.260 5.440 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.899 1.152 3.124 1.00 0.00 H new ATOM 0 HB3 TRP A 261 5.340 2.840 3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.278 1.058 4.510 1.00 0.00 H new ATOM 0 HE1 TRP A 261 10.089 0.789 2.691 1.00 0.00 H new ATOM 0 HE3 TRP A 261 5.403 2.140 0.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 10.221 0.990 -0.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 6.439 2.066 -1.787 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.816 1.499 -2.057 1.00 0.00 H new ATOM 551 N THR A 262 4.331 3.486 5.898 1.00 0.00 N ATOM 552 CA THR A 262 3.148 4.095 6.470 1.00 0.00 C ATOM 553 C THR A 262 2.281 4.691 5.371 1.00 0.00 C ATOM 554 O THR A 262 2.735 5.548 4.597 1.00 0.00 O ATOM 555 CB THR A 262 3.520 5.202 7.469 1.00 0.00 C ATOM 556 OG1 THR A 262 4.662 4.794 8.239 1.00 0.00 O ATOM 557 CG2 THR A 262 2.358 5.491 8.411 1.00 0.00 C ATOM 0 H THR A 262 5.092 4.138 5.709 1.00 0.00 H new ATOM 0 HA THR A 262 2.597 3.316 6.997 1.00 0.00 H new ATOM 0 HB THR A 262 3.753 6.107 6.909 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.898 5.502 8.874 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.643 6.278 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.493 5.815 7.833 1.00 0.00 H new ATOM 0 HG23 THR A 262 2.106 4.587 8.965 1.00 0.00 H new ATOM 564 N GLY A 263 1.047 4.246 5.299 1.00 0.00 N ATOM 565 CA GLY A 263 0.147 4.736 4.292 1.00 0.00 C ATOM 566 C GLY A 263 -1.286 4.601 4.717 1.00 0.00 C ATOM 567 O GLY A 263 -1.584 3.922 5.702 1.00 0.00 O ATOM 0 H GLY A 263 0.649 3.547 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.368 5.783 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.305 4.187 3.364 1.00 0.00 H new ATOM 571 N MET A 264 -2.177 5.265 4.012 1.00 0.00 N ATOM 572 CA MET A 264 -3.590 5.170 4.318 1.00 0.00 C ATOM 573 C MET A 264 -4.353 4.481 3.193 1.00 0.00 C ATOM 574 O MET A 264 -4.000 4.599 2.013 1.00 0.00 O ATOM 575 CB MET A 264 -4.193 6.556 4.593 1.00 0.00 C ATOM 576 CG MET A 264 -4.107 7.517 3.418 1.00 0.00 C ATOM 577 SD MET A 264 -4.944 9.088 3.728 1.00 0.00 S ATOM 578 CE MET A 264 -3.966 9.732 5.084 1.00 0.00 C ATOM 0 H MET A 264 -1.950 5.874 3.226 1.00 0.00 H new ATOM 0 HA MET A 264 -3.686 4.566 5.220 1.00 0.00 H new ATOM 0 HB2 MET A 264 -5.239 6.435 4.874 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.683 6.999 5.448 1.00 0.00 H new ATOM 0 HG2 MET A 264 -3.059 7.709 3.189 1.00 0.00 H new ATOM 0 HG3 MET A 264 -4.545 7.046 2.538 1.00 0.00 H new ATOM 0 HE1 MET A 264 -4.165 10.797 5.203 1.00 0.00 H new ATOM 0 HE2 MET A 264 -4.229 9.209 6.003 1.00 0.00 H new ATOM 0 HE3 MET A 264 -2.907 9.583 4.872 1.00 0.00 H new ATOM 588 N LEU A 265 -5.379 3.752 3.576 1.00 0.00 N ATOM 589 CA LEU A 265 -6.247 3.060 2.648 1.00 0.00 C ATOM 590 C LEU A 265 -7.640 3.056 3.262 1.00 0.00 C ATOM 591 O LEU A 265 -7.763 2.950 4.475 1.00 0.00 O ATOM 592 CB LEU A 265 -5.733 1.615 2.414 1.00 0.00 C ATOM 593 CG LEU A 265 -6.172 0.902 1.107 1.00 0.00 C ATOM 594 CD1 LEU A 265 -7.635 0.507 1.135 1.00 0.00 C ATOM 595 CD2 LEU A 265 -5.876 1.765 -0.104 1.00 0.00 C ATOM 0 H LEU A 265 -5.637 3.622 4.554 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.265 3.555 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.643 1.638 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -6.055 1.003 3.256 1.00 0.00 H new ATOM 0 HG LEU A 265 -5.589 -0.016 1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -7.896 0.012 0.200 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -7.812 -0.173 1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -8.250 1.398 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -6.192 1.244 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -6.417 2.708 -0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -4.806 1.964 -0.156 1.00 0.00 H new ATOM 607 N ASN A 266 -8.671 3.216 2.429 1.00 0.00 N ATOM 608 CA ASN A 266 -10.086 3.282 2.875 1.00 0.00 C ATOM 609 C ASN A 266 -10.284 4.304 3.998 1.00 0.00 C ATOM 610 O ASN A 266 -11.131 4.127 4.879 1.00 0.00 O ATOM 611 CB ASN A 266 -10.682 1.882 3.261 1.00 0.00 C ATOM 612 CG ASN A 266 -10.043 1.207 4.477 1.00 0.00 C ATOM 613 OD1 ASN A 266 -9.114 0.303 4.233 1.00 0.00 O flip ATOM 614 ND2 ASN A 266 -10.415 1.468 5.622 1.00 0.00 N flip ATOM 0 H ASN A 266 -8.559 3.305 1.419 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.652 3.625 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -11.749 2.001 3.452 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -10.584 1.216 2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -11.136 2.173 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -10.002 0.979 6.416 1.00 0.00 H new ATOM 621 N ASN A 267 -9.512 5.401 3.926 1.00 0.00 N ATOM 622 CA ASN A 267 -9.577 6.507 4.900 1.00 0.00 C ATOM 623 C ASN A 267 -9.096 6.067 6.275 1.00 0.00 C ATOM 624 O ASN A 267 -9.408 6.694 7.294 1.00 0.00 O ATOM 625 CB ASN A 267 -10.995 7.096 4.983 1.00 0.00 C ATOM 626 CG ASN A 267 -11.449 7.728 3.677 1.00 0.00 C ATOM 627 OD1 ASN A 267 -10.520 8.319 2.941 1.00 0.00 O flip ATOM 628 ND2 ASN A 267 -12.630 7.689 3.337 1.00 0.00 N flip ATOM 0 H ASN A 267 -8.823 5.548 3.189 1.00 0.00 H new ATOM 0 HA ASN A 267 -8.906 7.290 4.545 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.695 6.308 5.262 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -11.026 7.845 5.774 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -13.317 7.224 3.931 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -12.923 8.121 2.461 1.00 0.00 H new ATOM 635 N LYS A 268 -8.334 4.998 6.297 1.00 0.00 N ATOM 636 CA LYS A 268 -7.772 4.477 7.518 1.00 0.00 C ATOM 637 C LYS A 268 -6.257 4.497 7.413 1.00 0.00 C ATOM 638 O LYS A 268 -5.704 4.150 6.372 1.00 0.00 O ATOM 639 CB LYS A 268 -8.279 3.052 7.751 1.00 0.00 C ATOM 640 CG LYS A 268 -7.908 2.463 9.098 1.00 0.00 C ATOM 641 CD LYS A 268 -8.577 1.117 9.296 1.00 0.00 C ATOM 642 CE LYS A 268 -8.334 0.570 10.688 1.00 0.00 C ATOM 643 NZ LYS A 268 -9.131 -0.652 10.938 1.00 0.00 N ATOM 0 H LYS A 268 -8.086 4.464 5.464 1.00 0.00 H new ATOM 0 HA LYS A 268 -8.078 5.093 8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -9.365 3.046 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.884 2.407 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -6.826 2.351 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -8.208 3.145 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -9.649 1.215 9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -8.200 0.411 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -7.274 0.346 10.812 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -8.588 1.329 11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -8.941 -1.000 11.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -10.143 -0.432 10.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -8.870 -1.384 10.247 1.00 0.00 H new ATOM 646 N VAL A 269 -5.593 4.926 8.468 1.00 0.00 N ATOM 647 CA VAL A 269 -4.144 5.006 8.460 1.00 0.00 C ATOM 648 C VAL A 269 -3.520 3.759 9.093 1.00 0.00 C ATOM 649 O VAL A 269 -4.059 3.193 10.054 1.00 0.00 O ATOM 650 CB VAL A 269 -3.631 6.291 9.180 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.872 6.227 10.684 1.00 0.00 C ATOM 652 CG2 VAL A 269 -2.158 6.537 8.874 1.00 0.00 C ATOM 0 H VAL A 269 -6.031 5.224 9.340 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.833 5.060 7.417 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.204 7.133 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.501 7.140 11.151 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.940 6.128 10.877 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.347 5.367 11.100 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.825 7.439 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.568 5.686 9.215 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.026 6.662 7.799 1.00 0.00 H new ATOM 662 N GLY A 270 -2.405 3.331 8.537 1.00 0.00 N ATOM 663 CA GLY A 270 -1.717 2.177 9.051 1.00 0.00 C ATOM 664 C GLY A 270 -0.414 1.937 8.334 1.00 0.00 C ATOM 665 O GLY A 270 0.215 2.880 7.842 1.00 0.00 O ATOM 0 H GLY A 270 -1.961 3.768 7.730 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.526 2.312 10.116 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.355 1.299 8.950 1.00 0.00 H new ATOM 669 N ASN A 271 -0.010 0.689 8.258 1.00 0.00 N ATOM 670 CA ASN A 271 1.227 0.340 7.593 1.00 0.00 C ATOM 671 C ASN A 271 0.992 -0.796 6.628 1.00 0.00 C ATOM 672 O ASN A 271 -0.029 -1.481 6.693 1.00 0.00 O ATOM 673 CB ASN A 271 2.325 -0.051 8.598 1.00 0.00 C ATOM 674 CG ASN A 271 2.153 -1.458 9.157 1.00 0.00 C ATOM 675 OD1 ASN A 271 2.668 -2.436 8.597 1.00 0.00 O ATOM 676 ND2 ASN A 271 1.451 -1.568 10.255 1.00 0.00 N ATOM 0 H ASN A 271 -0.520 -0.103 8.649 1.00 0.00 H new ATOM 0 HA ASN A 271 1.569 1.221 7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.297 0.023 8.111 1.00 0.00 H new ATOM 0 HB3 ASN A 271 2.326 0.663 9.422 1.00 0.00 H new ATOM 0 HD21 ASN A 271 1.311 -2.484 10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 271 1.043 -0.738 10.685 1.00 0.00 H new ATOM 683 N PHE A 272 1.941 -1.009 5.761 1.00 0.00 N ATOM 684 CA PHE A 272 1.859 -2.050 4.777 1.00 0.00 C ATOM 685 C PHE A 272 3.254 -2.453 4.370 1.00 0.00 C ATOM 686 O PHE A 272 4.182 -1.642 4.414 1.00 0.00 O ATOM 687 CB PHE A 272 1.056 -1.582 3.547 1.00 0.00 C ATOM 688 CG PHE A 272 1.705 -0.460 2.778 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.556 0.856 3.185 1.00 0.00 C ATOM 690 CD2 PHE A 272 2.466 -0.727 1.651 1.00 0.00 C ATOM 691 CE1 PHE A 272 2.155 1.881 2.485 1.00 0.00 C ATOM 692 CE2 PHE A 272 3.067 0.294 0.948 1.00 0.00 C ATOM 693 CZ PHE A 272 2.911 1.599 1.365 1.00 0.00 C ATOM 0 H PHE A 272 2.800 -0.461 5.717 1.00 0.00 H new ATOM 0 HA PHE A 272 1.340 -2.907 5.207 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.910 -2.430 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 272 0.067 -1.260 3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.964 1.081 4.060 1.00 0.00 H new ATOM 0 HD2 PHE A 272 2.589 -1.748 1.320 1.00 0.00 H new ATOM 0 HE1 PHE A 272 2.033 2.903 2.812 1.00 0.00 H new ATOM 0 HE2 PHE A 272 3.659 0.073 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 272 3.381 2.401 0.815 1.00 0.00 H new ATOM 699 N LYS A 273 3.421 -3.691 4.006 1.00 0.00 N ATOM 700 CA LYS A 273 4.707 -4.162 3.569 1.00 0.00 C ATOM 701 C LYS A 273 4.798 -4.058 2.058 1.00 0.00 C ATOM 702 O LYS A 273 4.060 -4.730 1.336 1.00 0.00 O ATOM 703 CB LYS A 273 4.970 -5.599 4.044 1.00 0.00 C ATOM 704 CG LYS A 273 5.305 -5.732 5.538 1.00 0.00 C ATOM 705 CD LYS A 273 4.135 -5.347 6.438 1.00 0.00 C ATOM 706 CE LYS A 273 4.485 -5.524 7.909 1.00 0.00 C ATOM 707 NZ LYS A 273 3.358 -5.157 8.803 1.00 0.00 N ATOM 0 H LYS A 273 2.683 -4.395 4.002 1.00 0.00 H new ATOM 0 HA LYS A 273 5.479 -3.534 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.090 -6.205 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 273 5.794 -6.014 3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.599 -6.760 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 273 6.162 -5.100 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 273 3.856 -4.310 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 273 3.268 -5.960 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 273 4.768 -6.561 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 273 5.353 -4.910 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 3.570 -5.466 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 3.225 -4.126 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 2.488 -5.622 8.474 1.00 0.00 H new ATOM 710 N PHE A 274 5.676 -3.174 1.587 1.00 0.00 N ATOM 711 CA PHE A 274 5.874 -2.927 0.148 1.00 0.00 C ATOM 712 C PHE A 274 6.126 -4.203 -0.681 1.00 0.00 C ATOM 713 O PHE A 274 6.085 -4.163 -1.915 1.00 0.00 O ATOM 714 CB PHE A 274 7.000 -1.911 -0.083 1.00 0.00 C ATOM 715 CG PHE A 274 8.363 -2.370 0.365 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.755 -2.240 1.688 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.256 -2.917 -0.542 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.009 -2.648 2.096 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.510 -3.328 -0.140 1.00 0.00 C ATOM 720 CZ PHE A 274 10.887 -3.194 1.181 1.00 0.00 C ATOM 0 H PHE A 274 6.273 -2.605 2.187 1.00 0.00 H new ATOM 0 HA PHE A 274 4.930 -2.515 -0.209 1.00 0.00 H new ATOM 0 HB2 PHE A 274 7.043 -1.672 -1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.752 -0.988 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.072 -1.815 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.967 -3.023 -1.577 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.303 -2.540 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 274 11.196 -3.754 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.868 -3.516 1.499 1.00 0.00 H new ATOM 726 N ILE A 275 6.321 -5.332 -0.016 1.00 0.00 N ATOM 727 CA ILE A 275 6.546 -6.591 -0.707 1.00 0.00 C ATOM 728 C ILE A 275 5.210 -7.183 -1.159 1.00 0.00 C ATOM 729 O ILE A 275 5.121 -8.360 -1.506 1.00 0.00 O ATOM 730 CB ILE A 275 7.271 -7.619 0.193 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.399 -7.985 1.398 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.619 -7.070 0.649 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.959 -9.105 2.247 1.00 0.00 C ATOM 0 H ILE A 275 6.328 -5.401 1.002 1.00 0.00 H new ATOM 0 HA ILE A 275 7.179 -6.381 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 275 7.449 -8.524 -0.387 1.00 0.00 H new ATOM 0 HG12 ILE A 275 6.270 -7.100 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.409 -8.272 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 275 9.116 -7.805 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.240 -6.861 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.465 -6.151 1.214 1.00 0.00 H new ATOM 0 HD11 ILE A 275 6.283 -9.304 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 275 7.062 -10.005 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.936 -8.815 2.634 1.00 0.00 H new ATOM 744 N TYR A 276 4.182 -6.347 -1.181 1.00 0.00 N ATOM 745 CA TYR A 276 2.850 -6.753 -1.579 1.00 0.00 C ATOM 746 C TYR A 276 2.259 -5.665 -2.467 1.00 0.00 C ATOM 747 O TYR A 276 1.064 -5.669 -2.761 1.00 0.00 O ATOM 748 CB TYR A 276 1.929 -6.926 -0.356 1.00 0.00 C ATOM 749 CG TYR A 276 2.358 -7.974 0.653 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.357 -9.328 0.332 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.736 -7.608 1.938 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.724 -10.282 1.267 1.00 0.00 C ATOM 753 CE2 TYR A 276 3.108 -8.553 2.873 1.00 0.00 C ATOM 754 CZ TYR A 276 3.100 -9.885 2.535 1.00 0.00 C ATOM 755 OH TYR A 276 3.464 -10.826 3.475 1.00 0.00 O ATOM 0 H TYR A 276 4.253 -5.363 -0.921 1.00 0.00 H new ATOM 0 HA TYR A 276 2.921 -7.706 -2.104 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.853 -5.967 0.156 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.930 -7.179 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.066 -9.640 -0.660 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.739 -6.563 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 276 2.716 -11.330 1.006 1.00 0.00 H new ATOM 0 HE2 TYR A 276 3.404 -8.247 3.866 1.00 0.00 H new ATOM 0 HH TYR A 276 3.701 -10.377 4.313 1.00 0.00 H new ATOM 761 N VAL A 277 3.112 -4.729 -2.915 1.00 0.00 N ATOM 762 CA VAL A 277 2.635 -3.573 -3.683 1.00 0.00 C ATOM 763 C VAL A 277 3.562 -3.253 -4.846 1.00 0.00 C ATOM 764 O VAL A 277 4.589 -3.911 -5.043 1.00 0.00 O ATOM 765 CB VAL A 277 2.501 -2.290 -2.803 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.687 -2.552 -1.545 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.872 -1.715 -2.454 1.00 0.00 C ATOM 0 H VAL A 277 4.120 -4.751 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 277 1.651 -3.856 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 277 1.963 -1.549 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.617 -1.635 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.686 -2.884 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 277 2.174 -3.325 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.747 -0.823 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 277 4.448 -2.457 -1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.401 -1.454 -3.371 1.00 0.00 H new ATOM 777 N ASP A 278 3.190 -2.240 -5.611 1.00 0.00 N ATOM 778 CA ASP A 278 3.999 -1.768 -6.714 1.00 0.00 C ATOM 779 C ASP A 278 4.010 -0.253 -6.716 1.00 0.00 C ATOM 780 O ASP A 278 2.960 0.385 -6.843 1.00 0.00 O ATOM 781 CB ASP A 278 3.470 -2.282 -8.049 1.00 0.00 C ATOM 782 CG ASP A 278 4.541 -2.974 -8.862 1.00 0.00 C ATOM 783 OD1 ASP A 278 5.633 -2.399 -9.031 1.00 0.00 O ATOM 784 OD2 ASP A 278 4.296 -4.116 -9.318 1.00 0.00 O ATOM 0 H ASP A 278 2.319 -1.725 -5.482 1.00 0.00 H new ATOM 0 HA ASP A 278 5.013 -2.148 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 278 2.648 -2.975 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 278 3.064 -1.448 -8.622 1.00 0.00 H new ATOM 787 N VAL A 279 5.182 0.320 -6.552 1.00 0.00 N ATOM 788 CA VAL A 279 5.304 1.765 -6.508 1.00 0.00 C ATOM 789 C VAL A 279 5.176 2.376 -7.899 1.00 0.00 C ATOM 790 O VAL A 279 6.091 2.310 -8.720 1.00 0.00 O ATOM 791 CB VAL A 279 6.608 2.244 -5.810 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.538 1.955 -4.323 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.839 1.584 -6.410 1.00 0.00 C ATOM 0 H VAL A 279 6.061 -0.187 -6.447 1.00 0.00 H new ATOM 0 HA VAL A 279 4.474 2.120 -5.897 1.00 0.00 H new ATOM 0 HB VAL A 279 6.695 3.319 -5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.456 2.294 -3.843 1.00 0.00 H new ATOM 0 HG12 VAL A 279 5.687 2.480 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.421 0.883 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.731 1.943 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 279 7.765 0.503 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.905 1.832 -7.469 1.00 0.00 H new ATOM 803 N ILE A 280 4.024 2.974 -8.153 1.00 0.00 N ATOM 804 CA ILE A 280 3.739 3.574 -9.448 1.00 0.00 C ATOM 805 C ILE A 280 4.350 4.966 -9.562 1.00 0.00 C ATOM 806 O ILE A 280 4.172 5.653 -10.568 1.00 0.00 O ATOM 807 CB ILE A 280 2.217 3.646 -9.718 1.00 0.00 C ATOM 808 CG1 ILE A 280 1.506 4.425 -8.603 1.00 0.00 C ATOM 809 CG2 ILE A 280 1.637 2.242 -9.854 1.00 0.00 C ATOM 810 CD1 ILE A 280 0.015 4.592 -8.824 1.00 0.00 C ATOM 0 H ILE A 280 3.266 3.058 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 280 4.194 2.930 -10.201 1.00 0.00 H new ATOM 0 HB ILE A 280 2.055 4.177 -10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.668 3.912 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 280 1.963 5.411 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 280 0.566 2.308 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 280 2.121 1.727 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 280 1.809 1.686 -8.932 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -0.415 5.152 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 280 -0.157 5.133 -9.755 1.00 0.00 H new ATOM 0 HD13 ILE A 280 -0.456 3.611 -8.882 1.00 0.00 H new ATOM 821 N SER A 281 5.058 5.379 -8.521 1.00 0.00 N ATOM 822 CA SER A 281 5.739 6.659 -8.520 1.00 0.00 C ATOM 823 C SER A 281 6.871 6.646 -9.548 1.00 0.00 C ATOM 824 O SER A 281 7.050 7.598 -10.312 1.00 0.00 O ATOM 825 CB SER A 281 6.304 6.943 -7.126 1.00 0.00 C ATOM 826 OG SER A 281 5.319 6.734 -6.121 1.00 0.00 O ATOM 0 H SER A 281 5.174 4.840 -7.663 1.00 0.00 H new ATOM 0 HA SER A 281 5.029 7.443 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 281 7.161 6.296 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 281 6.664 7.971 -7.079 1.00 0.00 H new ATOM 0 HG SER A 281 5.706 6.920 -5.240 1.00 0.00 H new ATOM 832 N GLU A 282 7.608 5.547 -9.576 1.00 0.00 N ATOM 833 CA GLU A 282 8.718 5.388 -10.490 1.00 0.00 C ATOM 834 C GLU A 282 8.365 4.366 -11.564 1.00 0.00 C ATOM 835 O GLU A 282 8.733 3.183 -11.407 1.00 0.00 O ATOM 836 CB GLU A 282 9.967 4.930 -9.727 1.00 0.00 C ATOM 837 CG GLU A 282 10.392 5.857 -8.595 1.00 0.00 C ATOM 838 CD GLU A 282 10.845 7.216 -9.081 1.00 0.00 C ATOM 839 OE1 GLU A 282 11.869 7.289 -9.793 1.00 0.00 O ATOM 840 OE2 GLU A 282 10.188 8.227 -8.740 1.00 0.00 O ATOM 841 OXT GLU A 282 7.697 4.739 -12.551 1.00 0.00 O ATOM 0 H GLU A 282 7.451 4.745 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 282 8.924 6.348 -10.964 1.00 0.00 H new ATOM 0 HB2 GLU A 282 9.783 3.937 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 282 10.793 4.835 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 282 9.558 5.984 -7.904 1.00 0.00 H new ATOM 0 HG3 GLU A 282 11.202 5.389 -8.035 1.00 0.00 H new TER 844 GLU A 282