USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 229 HIS : no HD1:sc= 0.565 K(o=0.97,f=-3.3!) USER MOD Set 1.2: A 230 THR OG1 : rot 58:sc= 0.404 USER MOD Single : A 233 THR OG1 : rot 180:sc=-0.00102 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 84:sc= 0.464 USER MOD Single : A 243 LYS NZ :NH3+ -177:sc= 0.885 (180deg=0.869) USER MOD Single : A 245 LYS NZ :NH3+ 162:sc= -0.0384 (180deg=-0.34) USER MOD Single : A 246 LYS NZ :NH3+ 167:sc= -0.0241 (180deg=-0.183) USER MOD Single : A 254 CYS SG : rot 180:sc= -0.738 USER MOD Single : A 255 LYS NZ :NH3+ 163:sc= 0.142 (180deg=0.0814) USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD Single : A 258 MET CE :methyl -162:sc= -0.15 (180deg=-0.617) USER MOD Single : A 260 MET CE :methyl -136:sc= -0.0697 (180deg=-0.858) USER MOD Single : A 262 THR OG1 : rot -160:sc= -0.738 USER MOD Single : A 264 MET CE :methyl 150:sc= -0.173 (180deg=-1.64) USER MOD Single : A 266 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.1) USER MOD Single : A 267 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 268 LYS NZ :NH3+ 167:sc= -0.0363 (180deg=-0.228) USER MOD Single : A 271 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.59) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot -110:sc=0.000279 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 3.554 9.590 -1.984 1.00 0.00 N ATOM 49 CA GLY A 224 3.748 8.191 -2.236 1.00 0.00 C ATOM 50 C GLY A 224 2.542 7.567 -2.885 1.00 0.00 C ATOM 51 O GLY A 224 1.434 7.679 -2.374 1.00 0.00 O ATOM 0 HA2 GLY A 224 4.618 8.055 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 224 3.962 7.679 -1.298 1.00 0.00 H new ATOM 55 N ARG A 225 2.752 6.918 -4.013 1.00 0.00 N ATOM 56 CA ARG A 225 1.671 6.272 -4.732 1.00 0.00 C ATOM 57 C ARG A 225 2.061 4.869 -5.131 1.00 0.00 C ATOM 58 O ARG A 225 2.955 4.669 -5.961 1.00 0.00 O ATOM 59 CB ARG A 225 1.285 7.086 -5.967 1.00 0.00 C ATOM 60 CG ARG A 225 0.468 8.326 -5.655 1.00 0.00 C ATOM 61 CD ARG A 225 -0.962 7.966 -5.271 1.00 0.00 C ATOM 62 NE ARG A 225 -1.677 9.108 -4.712 1.00 0.00 N ATOM 63 CZ ARG A 225 -2.628 9.804 -5.342 1.00 0.00 C ATOM 64 NH1 ARG A 225 -3.045 9.443 -6.559 1.00 0.00 N ATOM 65 NH2 ARG A 225 -3.179 10.850 -4.741 1.00 0.00 N ATOM 0 H ARG A 225 3.667 6.824 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 225 0.807 6.216 -4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 225 2.193 7.383 -6.492 1.00 0.00 H new ATOM 0 HB3 ARG A 225 0.717 6.450 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 225 0.937 8.878 -4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 225 0.459 8.985 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -1.493 7.599 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -0.950 7.154 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 225 -1.432 9.398 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.637 8.628 -7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -3.772 9.982 -7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -2.876 11.118 -3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -3.905 11.386 -5.215 1.00 0.00 H new ATOM 68 N ALA A 226 1.403 3.902 -4.541 1.00 0.00 N ATOM 69 CA ALA A 226 1.676 2.517 -4.829 1.00 0.00 C ATOM 70 C ALA A 226 0.390 1.761 -5.072 1.00 0.00 C ATOM 71 O ALA A 226 -0.656 2.091 -4.507 1.00 0.00 O ATOM 72 CB ALA A 226 2.458 1.879 -3.694 1.00 0.00 C ATOM 0 H ALA A 226 0.667 4.052 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 226 2.281 2.470 -5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.654 0.833 -3.930 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.404 2.405 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.878 1.940 -2.773 1.00 0.00 H new ATOM 78 N ARG A 227 0.465 0.764 -5.919 1.00 0.00 N ATOM 79 CA ARG A 227 -0.681 -0.057 -6.212 1.00 0.00 C ATOM 80 C ARG A 227 -0.512 -1.411 -5.567 1.00 0.00 C ATOM 81 O ARG A 227 0.481 -2.107 -5.812 1.00 0.00 O ATOM 82 CB ARG A 227 -0.890 -0.221 -7.720 1.00 0.00 C ATOM 83 CG ARG A 227 -2.074 -1.116 -8.053 1.00 0.00 C ATOM 84 CD ARG A 227 -2.323 -1.215 -9.543 1.00 0.00 C ATOM 85 NE ARG A 227 -3.503 -2.034 -9.822 1.00 0.00 N ATOM 86 CZ ARG A 227 -4.693 -1.544 -10.182 1.00 0.00 C ATOM 87 NH1 ARG A 227 -4.852 -0.235 -10.368 1.00 0.00 N ATOM 88 NH2 ARG A 227 -5.720 -2.365 -10.364 1.00 0.00 N ATOM 0 H ARG A 227 1.314 0.501 -6.420 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.563 0.439 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -1.043 0.760 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 227 0.013 -0.639 -8.165 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -1.896 -2.113 -7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -2.967 -0.729 -7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.461 -0.217 -9.960 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -1.451 -1.647 -10.034 1.00 0.00 H new ATOM 0 HE ARG A 227 -3.411 -3.046 -9.736 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -4.064 0.398 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -5.762 0.134 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -5.600 -3.369 -10.229 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -6.629 -1.992 -10.639 1.00 0.00 H new ATOM 91 N VAL A 228 -1.451 -1.778 -4.730 1.00 0.00 N ATOM 92 CA VAL A 228 -1.406 -3.058 -4.075 1.00 0.00 C ATOM 93 C VAL A 228 -1.866 -4.154 -5.027 1.00 0.00 C ATOM 94 O VAL A 228 -2.876 -4.014 -5.713 1.00 0.00 O ATOM 95 CB VAL A 228 -2.260 -3.065 -2.772 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.695 -2.654 -3.045 1.00 0.00 C ATOM 97 CG2 VAL A 228 -2.214 -4.422 -2.100 1.00 0.00 C ATOM 0 H VAL A 228 -2.258 -1.204 -4.487 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.372 -3.252 -3.789 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.825 -2.331 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.262 -2.670 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.712 -1.647 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.144 -3.349 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.818 -4.400 -1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.607 -5.178 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -1.183 -4.666 -1.843 1.00 0.00 H new ATOM 107 N HIS A 229 -1.115 -5.231 -5.080 1.00 0.00 N ATOM 108 CA HIS A 229 -1.441 -6.354 -5.953 1.00 0.00 C ATOM 109 C HIS A 229 -1.549 -7.628 -5.140 1.00 0.00 C ATOM 110 O HIS A 229 -2.221 -8.577 -5.533 1.00 0.00 O ATOM 111 CB HIS A 229 -0.404 -6.508 -7.083 1.00 0.00 C ATOM 112 CG HIS A 229 1.024 -6.406 -6.634 1.00 0.00 C ATOM 113 ND1 HIS A 229 1.735 -7.460 -6.115 1.00 0.00 N ATOM 114 CD2 HIS A 229 1.867 -5.353 -6.630 1.00 0.00 C ATOM 115 CE1 HIS A 229 2.952 -7.059 -5.811 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.059 -5.782 -6.115 1.00 0.00 N ATOM 0 H HIS A 229 -0.267 -5.360 -4.528 1.00 0.00 H new ATOM 0 HA HIS A 229 -2.404 -6.154 -6.422 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -0.552 -7.474 -7.566 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -0.590 -5.743 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 229 1.642 -4.353 -6.971 1.00 0.00 H new ATOM 0 HE1 HIS A 229 3.731 -7.674 -5.384 1.00 0.00 H new ATOM 0 HE2 HIS A 229 3.893 -5.208 -5.987 1.00 0.00 H new ATOM 121 N THR A 230 -0.886 -7.632 -4.007 1.00 0.00 N ATOM 122 CA THR A 230 -0.953 -8.733 -3.087 1.00 0.00 C ATOM 123 C THR A 230 -1.770 -8.294 -1.891 1.00 0.00 C ATOM 124 O THR A 230 -1.485 -7.258 -1.300 1.00 0.00 O ATOM 125 CB THR A 230 0.451 -9.146 -2.614 1.00 0.00 C ATOM 126 OG1 THR A 230 1.319 -9.311 -3.746 1.00 0.00 O ATOM 127 CG2 THR A 230 0.397 -10.445 -1.823 1.00 0.00 C ATOM 0 H THR A 230 -0.284 -6.867 -3.701 1.00 0.00 H new ATOM 0 HA THR A 230 -1.409 -9.589 -3.584 1.00 0.00 H new ATOM 0 HB THR A 230 0.838 -8.359 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.349 -8.477 -4.259 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.402 -10.716 -1.500 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.242 -10.313 -0.950 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.008 -11.238 -2.452 1.00 0.00 H new ATOM 134 N ASP A 231 -2.778 -9.056 -1.540 1.00 0.00 N ATOM 135 CA ASP A 231 -3.644 -8.681 -0.441 1.00 0.00 C ATOM 136 C ASP A 231 -2.904 -8.783 0.880 1.00 0.00 C ATOM 137 O ASP A 231 -2.012 -9.623 1.047 1.00 0.00 O ATOM 138 CB ASP A 231 -4.902 -9.554 -0.413 1.00 0.00 C ATOM 139 CG ASP A 231 -4.615 -10.993 -0.043 1.00 0.00 C ATOM 140 OD1 ASP A 231 -4.030 -11.723 -0.876 1.00 0.00 O ATOM 141 OD2 ASP A 231 -4.987 -11.408 1.073 1.00 0.00 O ATOM 0 H ASP A 231 -3.021 -9.936 -1.995 1.00 0.00 H new ATOM 0 HA ASP A 231 -3.949 -7.645 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.612 -9.136 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.380 -9.525 -1.392 1.00 0.00 H new ATOM 144 N PHE A 232 -3.271 -7.930 1.807 1.00 0.00 N ATOM 145 CA PHE A 232 -2.665 -7.908 3.116 1.00 0.00 C ATOM 146 C PHE A 232 -3.710 -7.542 4.140 1.00 0.00 C ATOM 147 O PHE A 232 -4.125 -6.383 4.241 1.00 0.00 O ATOM 148 CB PHE A 232 -1.498 -6.909 3.159 1.00 0.00 C ATOM 149 CG PHE A 232 -0.929 -6.682 4.541 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.413 -7.735 5.278 1.00 0.00 C ATOM 151 CD2 PHE A 232 -0.917 -5.413 5.099 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.104 -7.528 6.543 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.402 -5.201 6.364 1.00 0.00 C ATOM 154 CZ PHE A 232 0.109 -6.259 7.086 1.00 0.00 C ATOM 0 H PHE A 232 -4.001 -7.230 1.674 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.266 -8.897 3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.703 -7.267 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.836 -5.954 2.756 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.415 -8.730 4.859 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -1.315 -4.580 4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.504 -8.358 7.106 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -0.400 -4.207 6.787 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.512 -6.095 8.074 1.00 0.00 H new ATOM 160 N THR A 233 -4.163 -8.524 4.865 1.00 0.00 N ATOM 161 CA THR A 233 -5.152 -8.301 5.866 1.00 0.00 C ATOM 162 C THR A 233 -5.059 -9.327 6.983 1.00 0.00 C ATOM 163 O THR A 233 -5.247 -10.527 6.758 1.00 0.00 O ATOM 164 CB THR A 233 -6.588 -8.288 5.261 1.00 0.00 C ATOM 165 OG1 THR A 233 -7.574 -8.206 6.306 1.00 0.00 O ATOM 166 CG2 THR A 233 -6.851 -9.525 4.404 1.00 0.00 C ATOM 0 H THR A 233 -3.857 -9.493 4.776 1.00 0.00 H new ATOM 0 HA THR A 233 -4.953 -7.317 6.291 1.00 0.00 H new ATOM 0 HB THR A 233 -6.662 -7.408 4.621 1.00 0.00 H new ATOM 0 HG1 THR A 233 -8.470 -8.197 5.910 1.00 0.00 H new ATOM 0 HG21 THR A 233 -7.862 -9.479 4.000 1.00 0.00 H new ATOM 0 HG22 THR A 233 -6.134 -9.559 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 233 -6.745 -10.421 5.016 1.00 0.00 H new ATOM 173 N PRO A 234 -4.726 -8.880 8.194 1.00 0.00 N ATOM 174 CA PRO A 234 -4.754 -9.730 9.373 1.00 0.00 C ATOM 175 C PRO A 234 -6.203 -9.924 9.815 1.00 0.00 C ATOM 176 O PRO A 234 -7.129 -9.777 8.999 1.00 0.00 O ATOM 177 CB PRO A 234 -3.969 -8.917 10.429 1.00 0.00 C ATOM 178 CG PRO A 234 -3.387 -7.753 9.694 1.00 0.00 C ATOM 179 CD PRO A 234 -4.273 -7.525 8.514 1.00 0.00 C ATOM 0 HA PRO A 234 -4.329 -10.721 9.211 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -4.625 -8.584 11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -3.186 -9.522 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -3.350 -6.869 10.330 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -2.365 -7.962 9.379 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.106 -6.864 8.753 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -3.734 -7.070 7.683 1.00 0.00 H new ATOM 187 N SER A 235 -6.416 -10.241 11.074 1.00 0.00 N ATOM 188 CA SER A 235 -7.767 -10.382 11.568 1.00 0.00 C ATOM 189 C SER A 235 -8.470 -9.021 11.498 1.00 0.00 C ATOM 190 O SER A 235 -7.922 -8.017 11.949 1.00 0.00 O ATOM 191 CB SER A 235 -7.761 -10.909 13.009 1.00 0.00 C ATOM 192 OG SER A 235 -9.076 -11.223 13.445 1.00 0.00 O ATOM 0 H SER A 235 -5.683 -10.404 11.764 1.00 0.00 H new ATOM 0 HA SER A 235 -8.305 -11.101 10.950 1.00 0.00 H new ATOM 0 HB2 SER A 235 -7.132 -11.797 13.072 1.00 0.00 H new ATOM 0 HB3 SER A 235 -7.324 -10.161 13.671 1.00 0.00 H new ATOM 0 HG SER A 235 -9.044 -11.558 14.365 1.00 0.00 H new ATOM 198 N PRO A 236 -9.689 -8.966 10.910 1.00 0.00 N ATOM 199 CA PRO A 236 -10.446 -7.708 10.770 1.00 0.00 C ATOM 200 C PRO A 236 -10.808 -7.118 12.126 1.00 0.00 C ATOM 201 O PRO A 236 -11.106 -5.929 12.250 1.00 0.00 O ATOM 202 CB PRO A 236 -11.710 -8.132 10.014 1.00 0.00 C ATOM 203 CG PRO A 236 -11.824 -9.601 10.242 1.00 0.00 C ATOM 204 CD PRO A 236 -10.416 -10.112 10.343 1.00 0.00 C ATOM 0 HA PRO A 236 -9.874 -6.935 10.257 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -12.588 -7.606 10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -11.629 -7.903 8.951 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -12.383 -9.813 11.154 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -12.357 -10.083 9.422 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -10.350 -10.990 10.986 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -10.020 -10.400 9.369 1.00 0.00 H new ATOM 212 N TYR A 237 -10.778 -7.975 13.125 1.00 0.00 N ATOM 213 CA TYR A 237 -11.062 -7.568 14.482 1.00 0.00 C ATOM 214 C TYR A 237 -9.987 -6.603 14.982 1.00 0.00 C ATOM 215 O TYR A 237 -10.289 -5.651 15.707 1.00 0.00 O ATOM 216 CB TYR A 237 -11.182 -8.791 15.391 1.00 0.00 C ATOM 217 CG TYR A 237 -12.401 -9.642 15.085 1.00 0.00 C ATOM 218 CD1 TYR A 237 -12.379 -10.597 14.074 1.00 0.00 C ATOM 219 CD2 TYR A 237 -13.576 -9.479 15.803 1.00 0.00 C ATOM 220 CE1 TYR A 237 -13.495 -11.363 13.790 1.00 0.00 C ATOM 221 CE2 TYR A 237 -14.695 -10.238 15.523 1.00 0.00 C ATOM 222 CZ TYR A 237 -14.650 -11.178 14.519 1.00 0.00 C ATOM 223 OH TYR A 237 -15.769 -11.931 14.239 1.00 0.00 O ATOM 0 H TYR A 237 -10.558 -8.965 13.019 1.00 0.00 H new ATOM 0 HA TYR A 237 -12.017 -7.044 14.502 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -10.285 -9.402 15.289 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -11.227 -8.462 16.429 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -11.475 -10.743 13.501 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -13.617 -8.746 16.595 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -13.462 -12.101 13.002 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -15.603 -10.094 16.090 1.00 0.00 H new ATOM 0 HH TYR A 237 -16.495 -11.676 14.846 1.00 0.00 H new ATOM 229 N ASP A 238 -8.735 -6.850 14.598 1.00 0.00 N ATOM 230 CA ASP A 238 -7.660 -5.892 14.864 1.00 0.00 C ATOM 231 C ASP A 238 -7.937 -4.588 14.119 1.00 0.00 C ATOM 232 O ASP A 238 -8.296 -4.596 12.934 1.00 0.00 O ATOM 233 CB ASP A 238 -6.298 -6.461 14.448 1.00 0.00 C ATOM 234 CG ASP A 238 -5.134 -5.643 14.987 1.00 0.00 C ATOM 235 OD1 ASP A 238 -4.784 -4.610 14.383 1.00 0.00 O ATOM 236 OD2 ASP A 238 -4.549 -6.041 16.020 1.00 0.00 O ATOM 0 H ASP A 238 -8.441 -7.695 14.107 1.00 0.00 H new ATOM 0 HA ASP A 238 -7.629 -5.697 15.936 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -6.212 -7.487 14.805 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -6.240 -6.496 13.360 1.00 0.00 H new ATOM 239 N THR A 239 -7.783 -3.483 14.808 1.00 0.00 N ATOM 240 CA THR A 239 -8.092 -2.189 14.235 1.00 0.00 C ATOM 241 C THR A 239 -6.829 -1.401 13.850 1.00 0.00 C ATOM 242 O THR A 239 -6.860 -0.581 12.930 1.00 0.00 O ATOM 243 CB THR A 239 -8.952 -1.360 15.215 1.00 0.00 C ATOM 244 OG1 THR A 239 -10.095 -2.139 15.610 1.00 0.00 O ATOM 245 CG2 THR A 239 -9.429 -0.065 14.570 1.00 0.00 C ATOM 0 H THR A 239 -7.445 -3.451 15.770 1.00 0.00 H new ATOM 0 HA THR A 239 -8.654 -2.372 13.319 1.00 0.00 H new ATOM 0 HB THR A 239 -8.342 -1.108 16.082 1.00 0.00 H new ATOM 0 HG1 THR A 239 -10.645 -1.620 16.234 1.00 0.00 H new ATOM 0 HG21 THR A 239 -10.032 0.497 15.284 1.00 0.00 H new ATOM 0 HG22 THR A 239 -8.567 0.533 14.273 1.00 0.00 H new ATOM 0 HG23 THR A 239 -10.030 -0.296 13.691 1.00 0.00 H new ATOM 252 N ASP A 240 -5.719 -1.671 14.522 1.00 0.00 N ATOM 253 CA ASP A 240 -4.487 -0.919 14.270 1.00 0.00 C ATOM 254 C ASP A 240 -3.802 -1.363 12.993 1.00 0.00 C ATOM 255 O ASP A 240 -3.410 -0.527 12.172 1.00 0.00 O ATOM 256 CB ASP A 240 -3.521 -1.027 15.440 1.00 0.00 C ATOM 257 CG ASP A 240 -2.216 -0.295 15.182 1.00 0.00 C ATOM 258 OD1 ASP A 240 -2.255 0.934 14.948 1.00 0.00 O ATOM 259 OD2 ASP A 240 -1.144 -0.937 15.232 1.00 0.00 O ATOM 0 H ASP A 240 -5.640 -2.394 15.237 1.00 0.00 H new ATOM 0 HA ASP A 240 -4.780 0.124 14.153 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -3.992 -0.620 16.335 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -3.312 -2.078 15.639 1.00 0.00 H new ATOM 262 N SER A 241 -3.645 -2.662 12.829 1.00 0.00 N ATOM 263 CA SER A 241 -3.006 -3.207 11.649 1.00 0.00 C ATOM 264 C SER A 241 -3.771 -2.802 10.395 1.00 0.00 C ATOM 265 O SER A 241 -5.000 -2.923 10.337 1.00 0.00 O ATOM 266 CB SER A 241 -2.934 -4.723 11.762 1.00 0.00 C ATOM 267 OG SER A 241 -2.536 -5.104 13.071 1.00 0.00 O ATOM 0 H SER A 241 -3.954 -3.363 13.503 1.00 0.00 H new ATOM 0 HA SER A 241 -1.995 -2.807 11.575 1.00 0.00 H new ATOM 0 HB2 SER A 241 -3.906 -5.158 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 241 -2.227 -5.115 11.031 1.00 0.00 H new ATOM 0 HG SER A 241 -3.320 -5.126 13.658 1.00 0.00 H new ATOM 273 N LEU A 242 -3.048 -2.312 9.407 1.00 0.00 N ATOM 274 CA LEU A 242 -3.658 -1.858 8.179 1.00 0.00 C ATOM 275 C LEU A 242 -4.133 -3.040 7.349 1.00 0.00 C ATOM 276 O LEU A 242 -3.328 -3.784 6.791 1.00 0.00 O ATOM 277 CB LEU A 242 -2.670 -1.010 7.372 1.00 0.00 C ATOM 278 CG LEU A 242 -3.259 -0.255 6.178 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.226 0.823 6.642 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.154 0.348 5.328 1.00 0.00 C ATOM 0 H LEU A 242 -2.033 -2.219 9.434 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.521 -1.243 8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.209 -0.286 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -1.874 -1.660 7.009 1.00 0.00 H new ATOM 0 HG LEU A 242 -3.813 -0.967 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -4.631 1.346 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.040 0.364 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.700 1.533 7.281 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -2.593 0.880 4.484 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.569 1.043 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.505 -0.446 4.958 1.00 0.00 H new ATOM 292 N LYS A 243 -5.433 -3.222 7.287 1.00 0.00 N ATOM 293 CA LYS A 243 -6.005 -4.285 6.495 1.00 0.00 C ATOM 294 C LYS A 243 -6.503 -3.725 5.176 1.00 0.00 C ATOM 295 O LYS A 243 -7.491 -2.986 5.126 1.00 0.00 O ATOM 296 CB LYS A 243 -7.115 -5.026 7.259 1.00 0.00 C ATOM 297 CG LYS A 243 -8.116 -4.130 7.972 1.00 0.00 C ATOM 298 CD LYS A 243 -9.153 -4.964 8.706 1.00 0.00 C ATOM 299 CE LYS A 243 -10.096 -4.100 9.528 1.00 0.00 C ATOM 300 NZ LYS A 243 -9.399 -3.436 10.657 1.00 0.00 N ATOM 0 H LYS A 243 -6.116 -2.645 7.778 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.231 -5.023 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.655 -5.662 6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -6.652 -5.684 7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -7.595 -3.484 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -8.609 -3.480 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -9.728 -5.545 7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -8.650 -5.676 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -10.548 -3.344 8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -10.908 -4.716 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -10.087 -2.898 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -8.946 -4.155 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -8.674 -2.789 10.285 1.00 0.00 H new ATOM 303 N ILE A 244 -5.801 -4.063 4.117 1.00 0.00 N ATOM 304 CA ILE A 244 -6.092 -3.529 2.803 1.00 0.00 C ATOM 305 C ILE A 244 -6.704 -4.583 1.891 1.00 0.00 C ATOM 306 O ILE A 244 -6.885 -5.744 2.286 1.00 0.00 O ATOM 307 CB ILE A 244 -4.809 -2.966 2.143 1.00 0.00 C ATOM 308 CG1 ILE A 244 -3.752 -4.075 1.992 1.00 0.00 C ATOM 309 CG2 ILE A 244 -4.259 -1.807 2.966 1.00 0.00 C ATOM 310 CD1 ILE A 244 -2.434 -3.600 1.416 1.00 0.00 C ATOM 0 H ILE A 244 -5.015 -4.713 4.141 1.00 0.00 H new ATOM 0 HA ILE A 244 -6.815 -2.725 2.939 1.00 0.00 H new ATOM 0 HB ILE A 244 -5.060 -2.596 1.149 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -3.569 -4.523 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -4.154 -4.860 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -3.357 -1.420 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -5.006 -1.016 3.025 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -4.020 -2.156 3.971 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -1.745 -4.441 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -2.601 -3.180 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -2.007 -2.837 2.066 1.00 0.00 H new ATOM 321 N LYS A 245 -7.025 -4.171 0.679 1.00 0.00 N ATOM 322 CA LYS A 245 -7.588 -5.055 -0.315 1.00 0.00 C ATOM 323 C LYS A 245 -6.814 -4.890 -1.611 1.00 0.00 C ATOM 324 O LYS A 245 -6.590 -3.770 -2.058 1.00 0.00 O ATOM 325 CB LYS A 245 -9.070 -4.733 -0.534 1.00 0.00 C ATOM 326 CG LYS A 245 -9.807 -5.774 -1.355 1.00 0.00 C ATOM 327 CD LYS A 245 -11.264 -5.403 -1.549 1.00 0.00 C ATOM 328 CE LYS A 245 -12.033 -6.518 -2.242 1.00 0.00 C ATOM 329 NZ LYS A 245 -12.085 -7.752 -1.416 1.00 0.00 N ATOM 0 H LYS A 245 -6.901 -3.211 0.359 1.00 0.00 H new ATOM 0 HA LYS A 245 -7.513 -6.087 0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -9.558 -4.636 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -9.153 -3.766 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -9.325 -5.879 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -9.740 -6.743 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -11.719 -5.192 -0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -11.333 -4.490 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -13.047 -6.181 -2.455 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -11.563 -6.742 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -12.849 -8.368 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -11.177 -8.254 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -12.266 -7.498 -0.424 1.00 0.00 H new ATOM 332 N LYS A 246 -6.381 -5.999 -2.193 1.00 0.00 N ATOM 333 CA LYS A 246 -5.582 -5.966 -3.416 1.00 0.00 C ATOM 334 C LYS A 246 -6.305 -5.306 -4.604 1.00 0.00 C ATOM 335 O LYS A 246 -7.536 -5.193 -4.633 1.00 0.00 O ATOM 336 CB LYS A 246 -5.109 -7.370 -3.796 1.00 0.00 C ATOM 337 CG LYS A 246 -6.229 -8.368 -4.020 1.00 0.00 C ATOM 338 CD LYS A 246 -5.681 -9.722 -4.431 1.00 0.00 C ATOM 339 CE LYS A 246 -6.795 -10.729 -4.646 1.00 0.00 C ATOM 340 NZ LYS A 246 -7.708 -10.330 -5.749 1.00 0.00 N ATOM 0 H LYS A 246 -6.569 -6.937 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.718 -5.341 -3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -4.509 -7.305 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -4.456 -7.746 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -6.816 -8.472 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -6.903 -7.996 -4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -5.101 -9.618 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -5.000 -10.089 -3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -6.363 -11.704 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -7.367 -10.838 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -8.313 -11.136 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -8.303 -9.536 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -7.148 -10.039 -6.575 1.00 0.00 H new ATOM 343 N GLY A 247 -5.499 -4.903 -5.577 1.00 0.00 N ATOM 344 CA GLY A 247 -5.996 -4.248 -6.774 1.00 0.00 C ATOM 345 C GLY A 247 -6.515 -2.851 -6.505 1.00 0.00 C ATOM 346 O GLY A 247 -7.492 -2.414 -7.116 1.00 0.00 O ATOM 0 H GLY A 247 -4.486 -5.021 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -5.197 -4.198 -7.514 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -6.794 -4.850 -7.208 1.00 0.00 H new ATOM 350 N ASP A 248 -5.870 -2.145 -5.598 1.00 0.00 N ATOM 351 CA ASP A 248 -6.288 -0.795 -5.252 1.00 0.00 C ATOM 352 C ASP A 248 -5.075 0.130 -5.163 1.00 0.00 C ATOM 353 O ASP A 248 -3.932 -0.320 -5.298 1.00 0.00 O ATOM 354 CB ASP A 248 -7.061 -0.796 -3.924 1.00 0.00 C ATOM 355 CG ASP A 248 -8.159 0.251 -3.893 1.00 0.00 C ATOM 356 OD1 ASP A 248 -7.844 1.458 -3.893 1.00 0.00 O ATOM 357 OD2 ASP A 248 -9.354 -0.135 -3.897 1.00 0.00 O ATOM 0 H ASP A 248 -5.054 -2.481 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 248 -6.949 -0.425 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -7.498 -1.781 -3.762 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.367 -0.616 -3.103 1.00 0.00 H new ATOM 360 N ILE A 249 -5.320 1.407 -4.935 1.00 0.00 N ATOM 361 CA ILE A 249 -4.253 2.396 -4.859 1.00 0.00 C ATOM 362 C ILE A 249 -4.064 2.856 -3.423 1.00 0.00 C ATOM 363 O ILE A 249 -5.029 3.208 -2.744 1.00 0.00 O ATOM 364 CB ILE A 249 -4.558 3.626 -5.751 1.00 0.00 C ATOM 365 CG1 ILE A 249 -4.801 3.193 -7.204 1.00 0.00 C ATOM 366 CG2 ILE A 249 -3.424 4.644 -5.677 1.00 0.00 C ATOM 367 CD1 ILE A 249 -3.636 2.458 -7.833 1.00 0.00 C ATOM 0 H ILE A 249 -6.256 1.789 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.340 1.922 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.465 4.100 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.682 2.552 -7.238 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -5.025 4.076 -7.802 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.660 5.499 -6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.302 4.979 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.498 4.183 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -3.888 2.187 -8.858 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -2.757 3.102 -7.833 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.424 1.555 -7.261 1.00 0.00 H new ATOM 378 N ILE A 250 -2.834 2.852 -2.960 1.00 0.00 N ATOM 379 CA ILE A 250 -2.546 3.249 -1.601 1.00 0.00 C ATOM 380 C ILE A 250 -1.548 4.398 -1.573 1.00 0.00 C ATOM 381 O ILE A 250 -0.497 4.338 -2.226 1.00 0.00 O ATOM 382 CB ILE A 250 -1.968 2.070 -0.778 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.837 0.823 -0.944 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.866 2.449 0.696 1.00 0.00 C ATOM 385 CD1 ILE A 250 -2.300 -0.392 -0.224 1.00 0.00 C ATOM 0 H ILE A 250 -2.017 2.578 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.489 3.568 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.968 1.849 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.840 1.038 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.929 0.594 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -1.458 1.610 1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -1.210 3.313 0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.857 2.696 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.969 -1.237 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -1.309 -0.634 -0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -2.234 -0.183 0.844 1.00 0.00 H new ATOM 396 N ASP A 251 -1.889 5.448 -0.843 1.00 0.00 N ATOM 397 CA ASP A 251 -0.978 6.562 -0.650 1.00 0.00 C ATOM 398 C ASP A 251 0.022 6.201 0.418 1.00 0.00 C ATOM 399 O ASP A 251 -0.347 5.670 1.467 1.00 0.00 O ATOM 400 CB ASP A 251 -1.724 7.836 -0.242 1.00 0.00 C ATOM 401 CG ASP A 251 -2.309 8.591 -1.414 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.568 9.381 -2.052 1.00 0.00 O ATOM 403 OD2 ASP A 251 -3.519 8.426 -1.692 1.00 0.00 O ATOM 0 H ASP A 251 -2.790 5.551 -0.375 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.472 6.758 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -2.526 7.573 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -1.040 8.491 0.298 1.00 0.00 H new ATOM 406 N ILE A 252 1.277 6.469 0.160 1.00 0.00 N ATOM 407 CA ILE A 252 2.318 6.143 1.108 1.00 0.00 C ATOM 408 C ILE A 252 2.694 7.378 1.901 1.00 0.00 C ATOM 409 O ILE A 252 3.404 8.252 1.408 1.00 0.00 O ATOM 410 CB ILE A 252 3.580 5.589 0.420 1.00 0.00 C ATOM 411 CG1 ILE A 252 3.206 4.709 -0.774 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.396 4.787 1.422 1.00 0.00 C ATOM 413 CD1 ILE A 252 4.379 4.370 -1.666 1.00 0.00 C ATOM 0 H ILE A 252 1.605 6.912 -0.698 1.00 0.00 H new ATOM 0 HA ILE A 252 1.923 5.369 1.766 1.00 0.00 H new ATOM 0 HB ILE A 252 4.174 6.426 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.759 3.785 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 252 2.445 5.218 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 252 5.289 4.396 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.689 5.431 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.796 3.959 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 252 4.040 3.744 -2.491 1.00 0.00 H new ATOM 0 HD12 ILE A 252 4.813 5.288 -2.062 1.00 0.00 H new ATOM 0 HD13 ILE A 252 5.132 3.833 -1.089 1.00 0.00 H new ATOM 424 N ILE A 253 2.209 7.447 3.117 1.00 0.00 N ATOM 425 CA ILE A 253 2.452 8.583 3.977 1.00 0.00 C ATOM 426 C ILE A 253 3.921 8.661 4.378 1.00 0.00 C ATOM 427 O ILE A 253 4.607 9.631 4.050 1.00 0.00 O ATOM 428 CB ILE A 253 1.558 8.536 5.240 1.00 0.00 C ATOM 429 CG1 ILE A 253 0.075 8.430 4.842 1.00 0.00 C ATOM 430 CG2 ILE A 253 1.793 9.760 6.116 1.00 0.00 C ATOM 431 CD1 ILE A 253 -0.416 9.560 3.954 1.00 0.00 C ATOM 0 H ILE A 253 1.634 6.718 3.540 1.00 0.00 H new ATOM 0 HA ILE A 253 2.197 9.479 3.411 1.00 0.00 H new ATOM 0 HB ILE A 253 1.826 7.651 5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 253 -0.084 7.483 4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 253 -0.531 8.405 5.747 1.00 0.00 H new ATOM 0 HG21 ILE A 253 1.154 9.705 6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 253 2.837 9.790 6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 253 1.556 10.662 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 253 -1.470 9.408 3.721 1.00 0.00 H new ATOM 0 HD12 ILE A 253 -0.293 10.511 4.473 1.00 0.00 H new ATOM 0 HD13 ILE A 253 0.162 9.574 3.030 1.00 0.00 H new ATOM 442 N CYS A 254 4.424 7.634 5.053 1.00 0.00 N ATOM 443 CA CYS A 254 5.803 7.623 5.491 1.00 0.00 C ATOM 444 C CYS A 254 6.510 6.412 4.902 1.00 0.00 C ATOM 445 O CYS A 254 5.910 5.337 4.772 1.00 0.00 O ATOM 446 CB CYS A 254 5.871 7.572 7.019 1.00 0.00 C ATOM 447 SG CYS A 254 4.942 8.885 7.849 1.00 0.00 S ATOM 0 H CYS A 254 3.893 6.801 5.306 1.00 0.00 H new ATOM 0 HA CYS A 254 6.295 8.534 5.149 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.493 6.607 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 254 6.915 7.631 7.327 1.00 0.00 H new ATOM 0 HG CYS A 254 5.061 8.753 9.137 1.00 0.00 H new ATOM 453 N LYS A 255 7.766 6.584 4.533 1.00 0.00 N ATOM 454 CA LYS A 255 8.541 5.508 3.936 1.00 0.00 C ATOM 455 C LYS A 255 9.758 5.179 4.789 1.00 0.00 C ATOM 456 O LYS A 255 10.781 5.864 4.712 1.00 0.00 O ATOM 457 CB LYS A 255 9.000 5.873 2.505 1.00 0.00 C ATOM 458 CG LYS A 255 7.887 5.953 1.450 1.00 0.00 C ATOM 459 CD LYS A 255 6.958 7.155 1.653 1.00 0.00 C ATOM 460 CE LYS A 255 7.692 8.482 1.516 1.00 0.00 C ATOM 461 NZ LYS A 255 6.779 9.635 1.699 1.00 0.00 N ATOM 0 H LYS A 255 8.274 7.462 4.636 1.00 0.00 H new ATOM 0 HA LYS A 255 7.893 4.633 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.511 6.835 2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.733 5.135 2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.336 6.011 0.459 1.00 0.00 H new ATOM 0 HG3 LYS A 255 7.298 5.036 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.149 7.113 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 255 6.501 7.095 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 255 8.494 8.532 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 255 8.159 8.540 0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 7.336 10.493 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 6.214 9.771 0.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 6.145 9.452 2.503 1.00 0.00 H new ATOM 464 N THR A 256 9.642 4.156 5.610 1.00 0.00 N ATOM 465 CA THR A 256 10.745 3.725 6.440 1.00 0.00 C ATOM 466 C THR A 256 11.650 2.776 5.640 1.00 0.00 C ATOM 467 O THR A 256 11.168 1.783 5.092 1.00 0.00 O ATOM 468 CB THR A 256 10.230 3.027 7.717 1.00 0.00 C ATOM 469 OG1 THR A 256 9.250 3.860 8.352 1.00 0.00 O ATOM 470 CG2 THR A 256 11.366 2.769 8.693 1.00 0.00 C ATOM 0 H THR A 256 8.790 3.606 5.720 1.00 0.00 H new ATOM 0 HA THR A 256 11.320 4.600 6.743 1.00 0.00 H new ATOM 0 HB THR A 256 9.790 2.072 7.432 1.00 0.00 H new ATOM 0 HG1 THR A 256 8.920 3.418 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 256 10.976 2.277 9.584 1.00 0.00 H new ATOM 0 HG22 THR A 256 12.112 2.129 8.222 1.00 0.00 H new ATOM 0 HG23 THR A 256 11.826 3.716 8.974 1.00 0.00 H new ATOM 477 N PRO A 257 12.977 3.093 5.579 1.00 0.00 N ATOM 478 CA PRO A 257 13.986 2.369 4.785 1.00 0.00 C ATOM 479 C PRO A 257 13.686 0.884 4.528 1.00 0.00 C ATOM 480 O PRO A 257 13.309 0.525 3.412 1.00 0.00 O ATOM 481 CB PRO A 257 15.236 2.541 5.625 1.00 0.00 C ATOM 482 CG PRO A 257 15.097 3.913 6.206 1.00 0.00 C ATOM 483 CD PRO A 257 13.609 4.205 6.313 1.00 0.00 C ATOM 0 HA PRO A 257 14.046 2.765 3.771 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.300 1.782 6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 257 16.138 2.453 5.020 1.00 0.00 H new ATOM 0 HG2 PRO A 257 15.571 3.966 7.186 1.00 0.00 H new ATOM 0 HG3 PRO A 257 15.590 4.651 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.281 4.235 7.352 1.00 0.00 H new ATOM 0 HD3 PRO A 257 13.358 5.169 5.871 1.00 0.00 H new ATOM 491 N MET A 258 13.909 0.028 5.549 1.00 0.00 N ATOM 492 CA MET A 258 13.643 -1.435 5.483 1.00 0.00 C ATOM 493 C MET A 258 12.477 -1.820 4.569 1.00 0.00 C ATOM 494 O MET A 258 12.594 -2.748 3.764 1.00 0.00 O ATOM 495 CB MET A 258 13.390 -1.983 6.893 1.00 0.00 C ATOM 496 CG MET A 258 13.148 -3.484 6.947 1.00 0.00 C ATOM 497 SD MET A 258 12.766 -4.068 8.616 1.00 0.00 S ATOM 498 CE MET A 258 14.235 -3.547 9.509 1.00 0.00 C ATOM 0 H MET A 258 14.281 0.330 6.450 1.00 0.00 H new ATOM 0 HA MET A 258 14.536 -1.882 5.045 1.00 0.00 H new ATOM 0 HB2 MET A 258 14.246 -1.742 7.523 1.00 0.00 H new ATOM 0 HB3 MET A 258 12.527 -1.472 7.319 1.00 0.00 H new ATOM 0 HG2 MET A 258 12.325 -3.740 6.279 1.00 0.00 H new ATOM 0 HG3 MET A 258 14.032 -4.004 6.578 1.00 0.00 H new ATOM 0 HE1 MET A 258 14.304 -4.097 10.448 1.00 0.00 H new ATOM 0 HE2 MET A 258 15.119 -3.749 8.904 1.00 0.00 H new ATOM 0 HE3 MET A 258 14.174 -2.479 9.718 1.00 0.00 H new ATOM 508 N GLY A 259 11.372 -1.114 4.678 1.00 0.00 N ATOM 509 CA GLY A 259 10.230 -1.442 3.864 1.00 0.00 C ATOM 510 C GLY A 259 8.927 -1.225 4.578 1.00 0.00 C ATOM 511 O GLY A 259 7.859 -1.561 4.055 1.00 0.00 O ATOM 0 H GLY A 259 11.244 -0.324 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.249 -0.836 2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 259 10.299 -2.484 3.552 1.00 0.00 H new ATOM 515 N MET A 260 9.001 -0.683 5.782 1.00 0.00 N ATOM 516 CA MET A 260 7.811 -0.370 6.533 1.00 0.00 C ATOM 517 C MET A 260 7.211 0.911 6.006 1.00 0.00 C ATOM 518 O MET A 260 7.733 2.003 6.228 1.00 0.00 O ATOM 519 CB MET A 260 8.102 -0.264 8.034 1.00 0.00 C ATOM 520 CG MET A 260 8.349 -1.607 8.702 1.00 0.00 C ATOM 521 SD MET A 260 8.679 -1.462 10.471 1.00 0.00 S ATOM 522 CE MET A 260 10.240 -0.582 10.448 1.00 0.00 C ATOM 0 H MET A 260 9.875 -0.453 6.255 1.00 0.00 H new ATOM 0 HA MET A 260 7.095 -1.182 6.406 1.00 0.00 H new ATOM 0 HB2 MET A 260 8.975 0.372 8.182 1.00 0.00 H new ATOM 0 HB3 MET A 260 7.262 0.227 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 260 7.480 -2.247 8.551 1.00 0.00 H new ATOM 0 HG3 MET A 260 9.194 -2.097 8.219 1.00 0.00 H new ATOM 0 HE1 MET A 260 10.923 -1.033 11.168 1.00 0.00 H new ATOM 0 HE2 MET A 260 10.675 -0.639 9.450 1.00 0.00 H new ATOM 0 HE3 MET A 260 10.073 0.462 10.712 1.00 0.00 H new ATOM 532 N TRP A 261 6.131 0.768 5.295 1.00 0.00 N ATOM 533 CA TRP A 261 5.485 1.893 4.674 1.00 0.00 C ATOM 534 C TRP A 261 4.159 2.161 5.334 1.00 0.00 C ATOM 535 O TRP A 261 3.440 1.236 5.696 1.00 0.00 O ATOM 536 CB TRP A 261 5.309 1.659 3.170 1.00 0.00 C ATOM 537 CG TRP A 261 6.601 1.679 2.390 1.00 0.00 C ATOM 538 CD1 TRP A 261 7.866 1.854 2.884 1.00 0.00 C ATOM 539 CD2 TRP A 261 6.748 1.524 0.973 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.784 1.810 1.866 1.00 0.00 N ATOM 541 CE2 TRP A 261 8.126 1.611 0.683 1.00 0.00 C ATOM 542 CE3 TRP A 261 5.852 1.317 -0.078 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.623 1.500 -0.613 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.348 1.206 -1.363 1.00 0.00 C ATOM 545 CH2 TRP A 261 7.722 1.297 -1.620 1.00 0.00 C ATOM 0 H TRP A 261 5.672 -0.128 5.128 1.00 0.00 H new ATOM 0 HA TRP A 261 6.119 2.770 4.803 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.819 0.697 3.017 1.00 0.00 H new ATOM 0 HB3 TRP A 261 4.643 2.423 2.769 1.00 0.00 H new ATOM 0 HD1 TRP A 261 8.106 2.005 3.926 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.793 1.909 1.973 1.00 0.00 H new ATOM 0 HE3 TRP A 261 4.791 1.245 0.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.682 1.572 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 5.664 1.046 -2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 261 8.077 1.205 -2.636 1.00 0.00 H new ATOM 551 N THR A 262 3.840 3.415 5.512 1.00 0.00 N ATOM 552 CA THR A 262 2.596 3.779 6.127 1.00 0.00 C ATOM 553 C THR A 262 1.611 4.174 5.040 1.00 0.00 C ATOM 554 O THR A 262 1.821 5.153 4.341 1.00 0.00 O ATOM 555 CB THR A 262 2.798 4.952 7.094 1.00 0.00 C ATOM 556 OG1 THR A 262 4.090 4.841 7.703 1.00 0.00 O ATOM 557 CG2 THR A 262 1.742 4.935 8.180 1.00 0.00 C ATOM 0 H THR A 262 4.428 4.202 5.238 1.00 0.00 H new ATOM 0 HA THR A 262 2.210 2.930 6.692 1.00 0.00 H new ATOM 0 HB THR A 262 2.718 5.885 6.535 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.110 5.372 8.527 1.00 0.00 H new ATOM 0 HG21 THR A 262 1.902 5.775 8.856 1.00 0.00 H new ATOM 0 HG22 THR A 262 0.754 5.017 7.728 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.810 4.001 8.739 1.00 0.00 H new ATOM 564 N GLY A 263 0.557 3.408 4.892 1.00 0.00 N ATOM 565 CA GLY A 263 -0.384 3.664 3.831 1.00 0.00 C ATOM 566 C GLY A 263 -1.692 4.201 4.327 1.00 0.00 C ATOM 567 O GLY A 263 -1.930 4.255 5.524 1.00 0.00 O ATOM 0 H GLY A 263 0.331 2.610 5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.052 4.375 3.129 1.00 0.00 H new ATOM 0 HA3 GLY A 263 -0.562 2.741 3.280 1.00 0.00 H new ATOM 571 N MET A 264 -2.543 4.570 3.400 1.00 0.00 N ATOM 572 CA MET A 264 -3.841 5.128 3.720 1.00 0.00 C ATOM 573 C MET A 264 -4.930 4.411 2.943 1.00 0.00 C ATOM 574 O MET A 264 -4.977 4.479 1.711 1.00 0.00 O ATOM 575 CB MET A 264 -3.868 6.632 3.422 1.00 0.00 C ATOM 576 CG MET A 264 -5.239 7.276 3.596 1.00 0.00 C ATOM 577 SD MET A 264 -5.210 9.067 3.361 1.00 0.00 S ATOM 578 CE MET A 264 -4.448 9.194 1.746 1.00 0.00 C ATOM 0 H MET A 264 -2.358 4.493 2.400 1.00 0.00 H new ATOM 0 HA MET A 264 -4.026 4.987 4.785 1.00 0.00 H new ATOM 0 HB2 MET A 264 -3.157 7.134 4.077 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.529 6.795 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 264 -5.936 6.833 2.885 1.00 0.00 H new ATOM 0 HG3 MET A 264 -5.616 7.052 4.594 1.00 0.00 H new ATOM 0 HE1 MET A 264 -4.817 10.085 1.239 1.00 0.00 H new ATOM 0 HE2 MET A 264 -3.366 9.263 1.859 1.00 0.00 H new ATOM 0 HE3 MET A 264 -4.696 8.312 1.156 1.00 0.00 H new ATOM 588 N LEU A 265 -5.790 3.716 3.667 1.00 0.00 N ATOM 589 CA LEU A 265 -6.884 2.969 3.074 1.00 0.00 C ATOM 590 C LEU A 265 -7.927 2.671 4.141 1.00 0.00 C ATOM 591 O LEU A 265 -7.581 2.446 5.302 1.00 0.00 O ATOM 592 CB LEU A 265 -6.369 1.656 2.450 1.00 0.00 C ATOM 593 CG LEU A 265 -6.811 1.378 1.001 1.00 0.00 C ATOM 594 CD1 LEU A 265 -6.255 0.053 0.517 1.00 0.00 C ATOM 595 CD2 LEU A 265 -8.326 1.388 0.880 1.00 0.00 C ATOM 0 H LEU A 265 -5.749 3.654 4.684 1.00 0.00 H new ATOM 0 HA LEU A 265 -7.336 3.567 2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -5.279 1.665 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -6.699 0.826 3.075 1.00 0.00 H new ATOM 0 HG LEU A 265 -6.413 2.175 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -6.579 -0.125 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -5.166 0.080 0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -6.620 -0.750 1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -8.610 1.189 -0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -8.748 0.619 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -8.709 2.364 1.180 1.00 0.00 H new ATOM 607 N ASN A 266 -9.202 2.703 3.752 1.00 0.00 N ATOM 608 CA ASN A 266 -10.313 2.437 4.674 1.00 0.00 C ATOM 609 C ASN A 266 -10.368 3.483 5.774 1.00 0.00 C ATOM 610 O ASN A 266 -10.662 3.173 6.929 1.00 0.00 O ATOM 611 CB ASN A 266 -10.204 1.023 5.277 1.00 0.00 C ATOM 612 CG ASN A 266 -10.529 -0.060 4.273 1.00 0.00 C ATOM 613 OD1 ASN A 266 -11.365 0.130 3.391 1.00 0.00 O ATOM 614 ND2 ASN A 266 -9.868 -1.198 4.389 1.00 0.00 N ATOM 0 H ASN A 266 -9.495 2.912 2.798 1.00 0.00 H new ATOM 0 HA ASN A 266 -11.240 2.493 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -9.194 0.870 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -10.881 0.941 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -10.043 -1.959 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -9.182 -1.316 5.135 1.00 0.00 H new ATOM 621 N ASN A 267 -10.079 4.734 5.390 1.00 0.00 N ATOM 622 CA ASN A 267 -10.118 5.888 6.305 1.00 0.00 C ATOM 623 C ASN A 267 -9.072 5.794 7.404 1.00 0.00 C ATOM 624 O ASN A 267 -9.152 6.505 8.405 1.00 0.00 O ATOM 625 CB ASN A 267 -11.514 6.065 6.924 1.00 0.00 C ATOM 626 CG ASN A 267 -12.524 6.636 5.952 1.00 0.00 C ATOM 627 OD1 ASN A 267 -13.209 5.901 5.238 1.00 0.00 O ATOM 628 ND2 ASN A 267 -12.625 7.951 5.918 1.00 0.00 N ATOM 0 H ASN A 267 -9.811 4.977 4.436 1.00 0.00 H new ATOM 0 HA ASN A 267 -9.886 6.764 5.699 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.870 5.100 7.285 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -11.440 6.722 7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -13.289 8.395 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -12.039 8.523 6.526 1.00 0.00 H new ATOM 635 N LYS A 268 -8.092 4.935 7.227 1.00 0.00 N ATOM 636 CA LYS A 268 -7.059 4.795 8.219 1.00 0.00 C ATOM 637 C LYS A 268 -5.678 4.733 7.591 1.00 0.00 C ATOM 638 O LYS A 268 -5.489 4.152 6.521 1.00 0.00 O ATOM 639 CB LYS A 268 -7.292 3.553 9.078 1.00 0.00 C ATOM 640 CG LYS A 268 -6.260 3.388 10.177 1.00 0.00 C ATOM 641 CD LYS A 268 -6.438 2.092 10.930 1.00 0.00 C ATOM 642 CE LYS A 268 -5.356 1.925 11.983 1.00 0.00 C ATOM 643 NZ LYS A 268 -5.380 3.019 12.985 1.00 0.00 N ATOM 0 H LYS A 268 -7.992 4.330 6.412 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.105 5.681 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.285 3.609 9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.279 2.669 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.260 3.421 9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -6.334 4.224 10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -7.419 2.074 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -6.406 1.254 10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -5.487 0.968 12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -4.380 1.899 11.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -4.784 2.759 13.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -5.016 3.893 12.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -6.357 3.173 13.307 1.00 0.00 H new ATOM 646 N VAL A 269 -4.733 5.356 8.254 1.00 0.00 N ATOM 647 CA VAL A 269 -3.349 5.298 7.864 1.00 0.00 C ATOM 648 C VAL A 269 -2.627 4.291 8.771 1.00 0.00 C ATOM 649 O VAL A 269 -2.700 4.396 9.999 1.00 0.00 O ATOM 650 CB VAL A 269 -2.679 6.708 7.954 1.00 0.00 C ATOM 651 CG1 VAL A 269 -2.871 7.331 9.330 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.206 6.631 7.615 1.00 0.00 C ATOM 0 H VAL A 269 -4.907 5.921 9.085 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.278 4.975 6.826 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.172 7.348 7.222 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -2.392 8.310 9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -3.936 7.442 9.534 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -2.422 6.687 10.087 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -0.764 7.625 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -0.706 5.961 8.315 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.086 6.251 6.600 1.00 0.00 H new ATOM 662 N GLY A 270 -1.962 3.298 8.188 1.00 0.00 N ATOM 663 CA GLY A 270 -1.309 2.286 8.996 1.00 0.00 C ATOM 664 C GLY A 270 -0.077 1.718 8.317 1.00 0.00 C ATOM 665 O GLY A 270 0.180 2.004 7.154 1.00 0.00 O ATOM 0 H GLY A 270 -1.864 3.177 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.026 2.717 9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.012 1.479 9.203 1.00 0.00 H new ATOM 669 N ASN A 271 0.669 0.905 9.039 1.00 0.00 N ATOM 670 CA ASN A 271 1.923 0.344 8.528 1.00 0.00 C ATOM 671 C ASN A 271 1.725 -0.982 7.779 1.00 0.00 C ATOM 672 O ASN A 271 1.208 -1.953 8.330 1.00 0.00 O ATOM 673 CB ASN A 271 2.934 0.168 9.676 1.00 0.00 C ATOM 674 CG ASN A 271 2.431 -0.749 10.783 1.00 0.00 C ATOM 675 OD1 ASN A 271 1.679 -0.325 11.659 1.00 0.00 O ATOM 676 ND2 ASN A 271 2.858 -1.997 10.764 1.00 0.00 N ATOM 0 H ASN A 271 0.434 0.612 9.987 1.00 0.00 H new ATOM 0 HA ASN A 271 2.315 1.056 7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 271 3.864 -0.234 9.274 1.00 0.00 H new ATOM 0 HB3 ASN A 271 3.166 1.145 10.100 1.00 0.00 H new ATOM 0 HD21 ASN A 271 2.565 -2.647 11.493 1.00 0.00 H new ATOM 0 HD22 ASN A 271 3.481 -2.311 10.020 1.00 0.00 H new ATOM 683 N PHE A 272 2.112 -0.991 6.511 1.00 0.00 N ATOM 684 CA PHE A 272 2.085 -2.199 5.695 1.00 0.00 C ATOM 685 C PHE A 272 3.483 -2.470 5.123 1.00 0.00 C ATOM 686 O PHE A 272 4.430 -1.724 5.403 1.00 0.00 O ATOM 687 CB PHE A 272 1.049 -2.072 4.558 1.00 0.00 C ATOM 688 CG PHE A 272 1.415 -1.081 3.479 1.00 0.00 C ATOM 689 CD1 PHE A 272 1.227 0.275 3.667 1.00 0.00 C ATOM 690 CD2 PHE A 272 1.942 -1.513 2.274 1.00 0.00 C ATOM 691 CE1 PHE A 272 1.560 1.180 2.676 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.276 -0.615 1.283 1.00 0.00 C ATOM 693 CZ PHE A 272 2.086 0.734 1.484 1.00 0.00 C ATOM 0 H PHE A 272 2.453 -0.165 6.019 1.00 0.00 H new ATOM 0 HA PHE A 272 1.790 -3.039 6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.910 -3.052 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 272 0.091 -1.782 4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.815 0.632 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 272 2.094 -2.569 2.108 1.00 0.00 H new ATOM 0 HE1 PHE A 272 1.408 2.237 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.687 -0.969 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 272 2.349 1.440 0.710 1.00 0.00 H new ATOM 699 N LYS A 273 3.616 -3.529 4.334 1.00 0.00 N ATOM 700 CA LYS A 273 4.904 -3.868 3.744 1.00 0.00 C ATOM 701 C LYS A 273 4.911 -3.611 2.242 1.00 0.00 C ATOM 702 O LYS A 273 3.922 -3.870 1.545 1.00 0.00 O ATOM 703 CB LYS A 273 5.289 -5.317 4.045 1.00 0.00 C ATOM 704 CG LYS A 273 5.462 -5.604 5.526 1.00 0.00 C ATOM 705 CD LYS A 273 6.011 -6.999 5.763 1.00 0.00 C ATOM 706 CE LYS A 273 6.274 -7.240 7.240 1.00 0.00 C ATOM 707 NZ LYS A 273 6.973 -8.528 7.483 1.00 0.00 N ATOM 0 H LYS A 273 2.855 -4.163 4.090 1.00 0.00 H new ATOM 0 HA LYS A 273 5.651 -3.218 4.201 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.523 -5.979 3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 273 6.218 -5.553 3.527 1.00 0.00 H new ATOM 0 HG2 LYS A 273 6.136 -4.868 5.964 1.00 0.00 H new ATOM 0 HG3 LYS A 273 4.503 -5.499 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 273 5.303 -7.740 5.391 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.935 -7.130 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 273 6.874 -6.422 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 273 5.328 -7.234 7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 7.131 -8.650 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 6.390 -9.312 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 7.888 -8.525 6.989 1.00 0.00 H new ATOM 710 N PHE A 274 6.053 -3.159 1.746 1.00 0.00 N ATOM 711 CA PHE A 274 6.205 -2.775 0.340 1.00 0.00 C ATOM 712 C PHE A 274 6.088 -3.981 -0.592 1.00 0.00 C ATOM 713 O PHE A 274 5.911 -3.831 -1.795 1.00 0.00 O ATOM 714 CB PHE A 274 7.561 -2.080 0.123 1.00 0.00 C ATOM 715 CG PHE A 274 8.752 -3.000 0.237 1.00 0.00 C ATOM 716 CD1 PHE A 274 9.167 -3.472 1.471 1.00 0.00 C ATOM 717 CD2 PHE A 274 9.452 -3.391 -0.893 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.256 -4.314 1.577 1.00 0.00 C ATOM 719 CE2 PHE A 274 10.541 -4.232 -0.793 1.00 0.00 C ATOM 720 CZ PHE A 274 10.944 -4.694 0.443 1.00 0.00 C ATOM 0 H PHE A 274 6.902 -3.046 2.300 1.00 0.00 H new ATOM 0 HA PHE A 274 5.397 -2.084 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 274 7.566 -1.618 -0.864 1.00 0.00 H new ATOM 0 HB3 PHE A 274 7.666 -1.276 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.632 -3.178 2.362 1.00 0.00 H new ATOM 0 HD2 PHE A 274 9.141 -3.033 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.569 -4.675 2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 274 11.078 -4.529 -1.682 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.797 -5.352 0.523 1.00 0.00 H new ATOM 726 N ILE A 275 6.168 -5.170 -0.026 1.00 0.00 N ATOM 727 CA ILE A 275 6.126 -6.392 -0.814 1.00 0.00 C ATOM 728 C ILE A 275 4.744 -6.625 -1.428 1.00 0.00 C ATOM 729 O ILE A 275 4.614 -7.329 -2.426 1.00 0.00 O ATOM 730 CB ILE A 275 6.537 -7.631 0.018 1.00 0.00 C ATOM 731 CG1 ILE A 275 5.631 -7.786 1.246 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.001 -7.525 0.434 1.00 0.00 C ATOM 733 CD1 ILE A 275 5.915 -9.027 2.066 1.00 0.00 C ATOM 0 H ILE A 275 6.263 -5.318 0.979 1.00 0.00 H new ATOM 0 HA ILE A 275 6.849 -6.258 -1.619 1.00 0.00 H new ATOM 0 HB ILE A 275 6.417 -8.520 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 275 5.745 -6.908 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 275 4.592 -7.809 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.278 -8.402 1.019 1.00 0.00 H new ATOM 0 HG22 ILE A 275 8.629 -7.469 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.144 -6.628 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.234 -9.065 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 275 5.773 -9.913 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 275 6.943 -8.998 2.426 1.00 0.00 H new ATOM 744 N TYR A 276 3.716 -6.017 -0.844 1.00 0.00 N ATOM 745 CA TYR A 276 2.353 -6.199 -1.342 1.00 0.00 C ATOM 746 C TYR A 276 2.005 -5.147 -2.400 1.00 0.00 C ATOM 747 O TYR A 276 0.932 -5.195 -3.018 1.00 0.00 O ATOM 748 CB TYR A 276 1.345 -6.109 -0.189 1.00 0.00 C ATOM 749 CG TYR A 276 1.628 -7.041 0.975 1.00 0.00 C ATOM 750 CD1 TYR A 276 1.356 -8.400 0.891 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.158 -6.555 2.162 1.00 0.00 C ATOM 752 CE1 TYR A 276 1.604 -9.248 1.953 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.410 -7.395 3.229 1.00 0.00 C ATOM 754 CZ TYR A 276 2.131 -8.739 3.120 1.00 0.00 C ATOM 755 OH TYR A 276 2.376 -9.576 4.185 1.00 0.00 O ATOM 0 H TYR A 276 3.796 -5.401 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 276 2.299 -7.187 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.327 -5.084 0.180 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.350 -6.326 -0.577 1.00 0.00 H new ATOM 0 HD1 TYR A 276 0.943 -8.802 -0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 276 2.377 -5.501 2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 276 1.386 -10.303 1.869 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.824 -6.999 4.145 1.00 0.00 H new ATOM 0 HH TYR A 276 1.741 -9.383 4.906 1.00 0.00 H new ATOM 761 N VAL A 277 2.930 -4.231 -2.633 1.00 0.00 N ATOM 762 CA VAL A 277 2.660 -3.108 -3.530 1.00 0.00 C ATOM 763 C VAL A 277 3.762 -2.876 -4.548 1.00 0.00 C ATOM 764 O VAL A 277 4.850 -3.433 -4.453 1.00 0.00 O ATOM 765 CB VAL A 277 2.420 -1.786 -2.752 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.222 -1.900 -1.822 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.665 -1.379 -1.980 1.00 0.00 C ATOM 0 H VAL A 277 3.864 -4.237 -2.222 1.00 0.00 H new ATOM 0 HA VAL A 277 1.752 -3.392 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 277 2.200 -1.007 -3.483 1.00 0.00 H new ATOM 0 HG11 VAL A 277 1.082 -0.958 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.329 -2.125 -2.405 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.396 -2.699 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.473 -0.450 -1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 277 3.924 -2.163 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 277 4.492 -1.232 -2.675 1.00 0.00 H new ATOM 777 N ASP A 278 3.439 -2.064 -5.537 1.00 0.00 N ATOM 778 CA ASP A 278 4.379 -1.622 -6.554 1.00 0.00 C ATOM 779 C ASP A 278 4.215 -0.130 -6.726 1.00 0.00 C ATOM 780 O ASP A 278 3.088 0.375 -6.706 1.00 0.00 O ATOM 781 CB ASP A 278 4.140 -2.343 -7.885 1.00 0.00 C ATOM 782 CG ASP A 278 5.099 -3.497 -8.107 1.00 0.00 C ATOM 783 OD1 ASP A 278 4.943 -4.547 -7.450 1.00 0.00 O ATOM 784 OD2 ASP A 278 6.012 -3.363 -8.945 1.00 0.00 O ATOM 0 H ASP A 278 2.500 -1.686 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 278 5.395 -1.860 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 278 3.116 -2.716 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 278 4.241 -1.630 -8.703 1.00 0.00 H new ATOM 787 N VAL A 279 5.309 0.581 -6.890 1.00 0.00 N ATOM 788 CA VAL A 279 5.251 2.032 -6.962 1.00 0.00 C ATOM 789 C VAL A 279 4.846 2.530 -8.343 1.00 0.00 C ATOM 790 O VAL A 279 5.517 2.266 -9.343 1.00 0.00 O ATOM 791 CB VAL A 279 6.578 2.700 -6.516 1.00 0.00 C ATOM 792 CG1 VAL A 279 6.781 2.518 -5.022 1.00 0.00 C ATOM 793 CG2 VAL A 279 7.769 2.133 -7.286 1.00 0.00 C ATOM 0 H VAL A 279 6.245 0.185 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 279 4.473 2.329 -6.258 1.00 0.00 H new ATOM 0 HB VAL A 279 6.511 3.765 -6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 279 7.716 2.991 -4.722 1.00 0.00 H new ATOM 0 HG12 VAL A 279 5.952 2.978 -4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 279 6.821 1.454 -4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 279 8.684 2.621 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 279 7.842 1.061 -7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 279 7.632 2.312 -8.352 1.00 0.00 H new ATOM 803 N ILE A 280 3.736 3.245 -8.393 1.00 0.00 N ATOM 804 CA ILE A 280 3.252 3.809 -9.639 1.00 0.00 C ATOM 805 C ILE A 280 3.714 5.249 -9.769 1.00 0.00 C ATOM 806 O ILE A 280 3.555 5.878 -10.811 1.00 0.00 O ATOM 807 CB ILE A 280 1.708 3.742 -9.751 1.00 0.00 C ATOM 808 CG1 ILE A 280 1.043 4.524 -8.611 1.00 0.00 C ATOM 809 CG2 ILE A 280 1.242 2.289 -9.752 1.00 0.00 C ATOM 810 CD1 ILE A 280 -0.469 4.577 -8.698 1.00 0.00 C ATOM 0 H ILE A 280 3.152 3.449 -7.582 1.00 0.00 H new ATOM 0 HA ILE A 280 3.667 3.211 -10.450 1.00 0.00 H new ATOM 0 HB ILE A 280 1.410 4.203 -10.693 1.00 0.00 H new ATOM 0 HG12 ILE A 280 1.326 4.071 -7.661 1.00 0.00 H new ATOM 0 HG13 ILE A 280 1.432 5.542 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 280 0.155 2.255 -9.831 1.00 0.00 H new ATOM 0 HG22 ILE A 280 1.684 1.766 -10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 280 1.553 1.806 -8.826 1.00 0.00 H new ATOM 0 HD11 ILE A 280 -0.862 5.147 -7.856 1.00 0.00 H new ATOM 0 HD12 ILE A 280 -0.763 5.058 -9.631 1.00 0.00 H new ATOM 0 HD13 ILE A 280 -0.871 3.564 -8.669 1.00 0.00 H new