USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 254 CYS SG : rot -84:sc= 1.02 USER MOD Set 1.2: A 256 THR OG1 : rot 180:sc= 0.862 USER MOD Set 2.1: A 229 HIS : no HD1:sc= 0.602 K(o=1.3,f=-0.24) USER MOD Set 2.2: A 230 THR OG1 : rot 68:sc= 0.74 USER MOD Single : A 233 THR OG1 : rot 180:sc=-0.00137 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 180:sc= 0 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0899) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 LYS NZ :NH3+ -160:sc= -1.67! (180deg=-2.4!) USER MOD Single : A 258 MET CE :methyl -158:sc= -0.143 (180deg=-0.708) USER MOD Single : A 260 MET CE :methyl -164:sc= -0.0581 (180deg=-0.409) USER MOD Single : A 262 THR OG1 : rot 180:sc= 0 USER MOD Single : A 264 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 266 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.6) USER MOD Single : A 267 ASN : amide:sc= -0.254 K(o=-0.25,f=-0.92) USER MOD Single : A 268 LYS NZ :NH3+ 156:sc= 1.32 (180deg=1.04) USER MOD Single : A 271 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.45) USER MOD Single : A 273 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N GLY A 224 3.462 10.105 -2.500 1.00 0.00 N ATOM 49 CA GLY A 224 3.770 8.839 -3.118 1.00 0.00 C ATOM 50 C GLY A 224 2.613 7.886 -2.998 1.00 0.00 C ATOM 51 O GLY A 224 1.935 7.862 -1.976 1.00 0.00 O ATOM 0 HA2 GLY A 224 4.012 8.993 -4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 224 4.653 8.406 -2.648 1.00 0.00 H new ATOM 55 N ARG A 225 2.366 7.120 -4.038 1.00 0.00 N ATOM 56 CA ARG A 225 1.265 6.174 -4.040 1.00 0.00 C ATOM 57 C ARG A 225 1.709 4.840 -4.627 1.00 0.00 C ATOM 58 O ARG A 225 2.583 4.791 -5.507 1.00 0.00 O ATOM 59 CB ARG A 225 0.075 6.750 -4.816 1.00 0.00 C ATOM 60 CG ARG A 225 -0.500 8.010 -4.173 1.00 0.00 C ATOM 61 CD ARG A 225 -1.568 8.674 -5.030 1.00 0.00 C ATOM 62 NE ARG A 225 -2.721 7.804 -5.270 1.00 0.00 N ATOM 63 CZ ARG A 225 -3.765 7.681 -4.434 1.00 0.00 C ATOM 64 NH1 ARG A 225 -3.757 8.292 -3.249 1.00 0.00 N ATOM 65 NH2 ARG A 225 -4.805 6.927 -4.778 1.00 0.00 N ATOM 0 H ARG A 225 2.914 7.132 -4.898 1.00 0.00 H new ATOM 0 HA ARG A 225 0.949 5.999 -3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 225 0.388 6.979 -5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 225 -0.707 5.994 -4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 225 -0.926 7.755 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 225 0.307 8.720 -3.991 1.00 0.00 H new ATOM 0 HD2 ARG A 225 -1.904 9.589 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 225 -1.132 8.965 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 225 -2.732 7.255 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 225 -2.954 8.857 -2.972 1.00 0.00 H new ATOM 0 HH12 ARG A 225 -4.553 8.194 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 225 -4.809 6.443 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 225 -5.598 6.833 -4.144 1.00 0.00 H new ATOM 68 N ALA A 226 1.126 3.764 -4.134 1.00 0.00 N ATOM 69 CA ALA A 226 1.488 2.433 -4.577 1.00 0.00 C ATOM 70 C ALA A 226 0.258 1.596 -4.895 1.00 0.00 C ATOM 71 O ALA A 226 -0.790 1.749 -4.274 1.00 0.00 O ATOM 72 CB ALA A 226 2.337 1.742 -3.524 1.00 0.00 C ATOM 0 H ALA A 226 0.396 3.787 -3.422 1.00 0.00 H new ATOM 0 HA ALA A 226 2.068 2.533 -5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 226 2.602 0.743 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 226 3.245 2.320 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 226 1.773 1.667 -2.594 1.00 0.00 H new ATOM 78 N ARG A 227 0.399 0.713 -5.864 1.00 0.00 N ATOM 79 CA ARG A 227 -0.677 -0.170 -6.268 1.00 0.00 C ATOM 80 C ARG A 227 -0.506 -1.522 -5.601 1.00 0.00 C ATOM 81 O ARG A 227 0.495 -2.212 -5.818 1.00 0.00 O ATOM 82 CB ARG A 227 -0.703 -0.332 -7.794 1.00 0.00 C ATOM 83 CG ARG A 227 -1.734 -1.340 -8.286 1.00 0.00 C ATOM 84 CD ARG A 227 -1.816 -1.365 -9.804 1.00 0.00 C ATOM 85 NE ARG A 227 -2.718 -2.415 -10.280 1.00 0.00 N ATOM 86 CZ ARG A 227 -3.599 -2.271 -11.274 1.00 0.00 C ATOM 87 NH1 ARG A 227 -3.712 -1.109 -11.911 1.00 0.00 N ATOM 88 NH2 ARG A 227 -4.363 -3.291 -11.633 1.00 0.00 N ATOM 0 H ARG A 227 1.262 0.588 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 227 -1.625 0.268 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 227 -0.909 0.637 -8.250 1.00 0.00 H new ATOM 0 HB3 ARG A 227 0.285 -0.641 -8.134 1.00 0.00 H new ATOM 0 HG2 ARG A 227 -1.476 -2.333 -7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 227 -2.712 -1.092 -7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 227 -2.162 -0.397 -10.166 1.00 0.00 H new ATOM 0 HD3 ARG A 227 -0.821 -1.524 -10.220 1.00 0.00 H new ATOM 0 HE ARG A 227 -2.670 -3.324 -9.819 1.00 0.00 H new ATOM 0 HH11 ARG A 227 -3.124 -0.320 -11.642 1.00 0.00 H new ATOM 0 HH12 ARG A 227 -4.387 -1.006 -12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 227 -4.279 -4.186 -11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 227 -5.036 -3.182 -12.392 1.00 0.00 H new ATOM 91 N VAL A 228 -1.457 -1.889 -4.773 1.00 0.00 N ATOM 92 CA VAL A 228 -1.391 -3.154 -4.069 1.00 0.00 C ATOM 93 C VAL A 228 -1.848 -4.318 -4.957 1.00 0.00 C ATOM 94 O VAL A 228 -3.000 -4.388 -5.369 1.00 0.00 O ATOM 95 CB VAL A 228 -2.209 -3.110 -2.743 1.00 0.00 C ATOM 96 CG1 VAL A 228 -3.630 -2.619 -2.976 1.00 0.00 C ATOM 97 CG2 VAL A 228 -2.215 -4.466 -2.062 1.00 0.00 C ATOM 0 H VAL A 228 -2.286 -1.331 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 228 -0.346 -3.325 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 228 -1.717 -2.397 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 228 -4.169 -2.602 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 228 -3.603 -1.614 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 228 -4.137 -3.289 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 228 -2.793 -4.407 -1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 228 -2.665 -5.204 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 228 -1.192 -4.762 -1.831 1.00 0.00 H new ATOM 107 N HIS A 229 -0.916 -5.207 -5.276 1.00 0.00 N ATOM 108 CA HIS A 229 -1.230 -6.378 -6.102 1.00 0.00 C ATOM 109 C HIS A 229 -1.454 -7.623 -5.253 1.00 0.00 C ATOM 110 O HIS A 229 -2.112 -8.566 -5.681 1.00 0.00 O ATOM 111 CB HIS A 229 -0.142 -6.630 -7.167 1.00 0.00 C ATOM 112 CG HIS A 229 1.252 -6.739 -6.624 1.00 0.00 C ATOM 113 ND1 HIS A 229 1.817 -7.926 -6.226 1.00 0.00 N ATOM 114 CD2 HIS A 229 2.192 -5.793 -6.420 1.00 0.00 C ATOM 115 CE1 HIS A 229 3.045 -7.706 -5.802 1.00 0.00 C ATOM 116 NE2 HIS A 229 3.299 -6.419 -5.909 1.00 0.00 N ATOM 0 H HIS A 229 0.058 -5.145 -4.980 1.00 0.00 H new ATOM 0 HA HIS A 229 -2.163 -6.158 -6.622 1.00 0.00 H new ATOM 0 HB2 HIS A 229 -0.382 -7.549 -7.702 1.00 0.00 H new ATOM 0 HB3 HIS A 229 -0.171 -5.820 -7.896 1.00 0.00 H new ATOM 0 HD2 HIS A 229 2.091 -4.737 -6.622 1.00 0.00 H new ATOM 0 HE1 HIS A 229 3.728 -8.455 -5.430 1.00 0.00 H new ATOM 0 HE2 HIS A 229 4.175 -5.963 -5.654 1.00 0.00 H new ATOM 121 N THR A 230 -0.911 -7.623 -4.059 1.00 0.00 N ATOM 122 CA THR A 230 -1.086 -8.728 -3.142 1.00 0.00 C ATOM 123 C THR A 230 -1.705 -8.217 -1.850 1.00 0.00 C ATOM 124 O THR A 230 -1.214 -7.262 -1.260 1.00 0.00 O ATOM 125 CB THR A 230 0.260 -9.421 -2.855 1.00 0.00 C ATOM 126 OG1 THR A 230 0.849 -9.835 -4.097 1.00 0.00 O ATOM 127 CG2 THR A 230 0.072 -10.637 -1.957 1.00 0.00 C ATOM 0 H THR A 230 -0.338 -6.862 -3.695 1.00 0.00 H new ATOM 0 HA THR A 230 -1.750 -9.463 -3.596 1.00 0.00 H new ATOM 0 HB THR A 230 0.912 -8.714 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 230 1.112 -9.045 -4.614 1.00 0.00 H new ATOM 0 HG21 THR A 230 1.039 -11.105 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 230 -0.368 -10.325 -1.010 1.00 0.00 H new ATOM 0 HG23 THR A 230 -0.590 -11.352 -2.446 1.00 0.00 H new ATOM 134 N ASP A 231 -2.792 -8.836 -1.429 1.00 0.00 N ATOM 135 CA ASP A 231 -3.505 -8.379 -0.246 1.00 0.00 C ATOM 136 C ASP A 231 -2.784 -8.770 1.030 1.00 0.00 C ATOM 137 O ASP A 231 -1.902 -9.637 1.034 1.00 0.00 O ATOM 138 CB ASP A 231 -4.937 -8.919 -0.217 1.00 0.00 C ATOM 139 CG ASP A 231 -5.000 -10.393 0.115 1.00 0.00 C ATOM 140 OD1 ASP A 231 -4.647 -11.215 -0.752 1.00 0.00 O ATOM 141 OD2 ASP A 231 -5.402 -10.735 1.245 1.00 0.00 O ATOM 0 H ASP A 231 -3.201 -9.652 -1.884 1.00 0.00 H new ATOM 0 HA ASP A 231 -3.540 -7.291 -0.301 1.00 0.00 H new ATOM 0 HB2 ASP A 231 -5.516 -8.360 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 231 -5.404 -8.749 -1.187 1.00 0.00 H new ATOM 144 N PHE A 232 -3.176 -8.128 2.100 1.00 0.00 N ATOM 145 CA PHE A 232 -2.621 -8.369 3.409 1.00 0.00 C ATOM 146 C PHE A 232 -3.604 -7.920 4.467 1.00 0.00 C ATOM 147 O PHE A 232 -4.182 -6.841 4.367 1.00 0.00 O ATOM 148 CB PHE A 232 -1.273 -7.646 3.574 1.00 0.00 C ATOM 149 CG PHE A 232 -0.719 -7.686 4.971 1.00 0.00 C ATOM 150 CD1 PHE A 232 -0.282 -8.875 5.527 1.00 0.00 C ATOM 151 CD2 PHE A 232 -0.646 -6.529 5.732 1.00 0.00 C ATOM 152 CE1 PHE A 232 0.220 -8.913 6.811 1.00 0.00 C ATOM 153 CE2 PHE A 232 -0.144 -6.560 7.018 1.00 0.00 C ATOM 154 CZ PHE A 232 0.288 -7.755 7.558 1.00 0.00 C ATOM 0 H PHE A 232 -3.902 -7.411 2.087 1.00 0.00 H new ATOM 0 HA PHE A 232 -2.439 -9.438 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 232 -0.548 -8.094 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 232 -1.392 -6.605 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 232 -0.335 -9.785 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 232 -0.986 -5.593 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 232 0.559 -9.848 7.231 1.00 0.00 H new ATOM 0 HE2 PHE A 232 -0.089 -5.652 7.600 1.00 0.00 H new ATOM 0 HZ PHE A 232 0.679 -7.783 8.564 1.00 0.00 H new ATOM 160 N THR A 233 -3.800 -8.744 5.465 1.00 0.00 N ATOM 161 CA THR A 233 -4.716 -8.437 6.524 1.00 0.00 C ATOM 162 C THR A 233 -4.175 -8.950 7.848 1.00 0.00 C ATOM 163 O THR A 233 -3.715 -10.091 7.945 1.00 0.00 O ATOM 164 CB THR A 233 -6.133 -9.033 6.257 1.00 0.00 C ATOM 165 OG1 THR A 233 -7.003 -8.773 7.369 1.00 0.00 O ATOM 166 CG2 THR A 233 -6.067 -10.536 6.000 1.00 0.00 C ATOM 0 H THR A 233 -3.329 -9.643 5.563 1.00 0.00 H new ATOM 0 HA THR A 233 -4.817 -7.353 6.569 1.00 0.00 H new ATOM 0 HB THR A 233 -6.530 -8.549 5.365 1.00 0.00 H new ATOM 0 HG1 THR A 233 -7.889 -9.151 7.187 1.00 0.00 H new ATOM 0 HG21 THR A 233 -7.071 -10.918 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 233 -5.442 -10.729 5.128 1.00 0.00 H new ATOM 0 HG23 THR A 233 -5.641 -11.036 6.870 1.00 0.00 H new ATOM 173 N PRO A 234 -4.183 -8.105 8.876 1.00 0.00 N ATOM 174 CA PRO A 234 -3.735 -8.490 10.200 1.00 0.00 C ATOM 175 C PRO A 234 -4.797 -9.308 10.921 1.00 0.00 C ATOM 176 O PRO A 234 -5.852 -9.624 10.347 1.00 0.00 O ATOM 177 CB PRO A 234 -3.533 -7.150 10.898 1.00 0.00 C ATOM 178 CG PRO A 234 -4.530 -6.248 10.257 1.00 0.00 C ATOM 179 CD PRO A 234 -4.623 -6.693 8.823 1.00 0.00 C ATOM 0 HA PRO A 234 -2.840 -9.112 10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 234 -3.702 -7.231 11.972 1.00 0.00 H new ATOM 0 HB3 PRO A 234 -2.517 -6.780 10.763 1.00 0.00 H new ATOM 0 HG2 PRO A 234 -5.498 -6.320 10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 234 -4.215 -5.207 10.324 1.00 0.00 H new ATOM 0 HD2 PRO A 234 -5.639 -6.602 8.439 1.00 0.00 H new ATOM 0 HD3 PRO A 234 -3.982 -6.096 8.174 1.00 0.00 H new ATOM 187 N SER A 235 -4.523 -9.648 12.160 1.00 0.00 N ATOM 188 CA SER A 235 -5.455 -10.404 12.961 1.00 0.00 C ATOM 189 C SER A 235 -6.736 -9.590 13.181 1.00 0.00 C ATOM 190 O SER A 235 -6.690 -8.361 13.244 1.00 0.00 O ATOM 191 CB SER A 235 -4.811 -10.758 14.305 1.00 0.00 C ATOM 192 OG SER A 235 -3.574 -11.429 14.114 1.00 0.00 O ATOM 0 H SER A 235 -3.654 -9.410 12.637 1.00 0.00 H new ATOM 0 HA SER A 235 -5.714 -11.326 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 235 -4.651 -9.850 14.886 1.00 0.00 H new ATOM 0 HB3 SER A 235 -5.487 -11.390 14.881 1.00 0.00 H new ATOM 0 HG SER A 235 -3.180 -11.644 14.985 1.00 0.00 H new ATOM 198 N PRO A 236 -7.898 -10.260 13.288 1.00 0.00 N ATOM 199 CA PRO A 236 -9.193 -9.587 13.523 1.00 0.00 C ATOM 200 C PRO A 236 -9.204 -8.784 14.831 1.00 0.00 C ATOM 201 O PRO A 236 -10.092 -7.972 15.072 1.00 0.00 O ATOM 202 CB PRO A 236 -10.184 -10.753 13.613 1.00 0.00 C ATOM 203 CG PRO A 236 -9.523 -11.872 12.888 1.00 0.00 C ATOM 204 CD PRO A 236 -8.059 -11.721 13.161 1.00 0.00 C ATOM 0 HA PRO A 236 -9.425 -8.865 12.740 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -10.388 -11.020 14.650 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -11.140 -10.496 13.156 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -9.889 -12.837 13.239 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -9.729 -11.822 11.819 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -7.762 -12.241 14.072 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -7.453 -12.126 12.351 1.00 0.00 H new ATOM 212 N TYR A 237 -8.202 -9.017 15.655 1.00 0.00 N ATOM 213 CA TYR A 237 -8.087 -8.354 16.942 1.00 0.00 C ATOM 214 C TYR A 237 -6.983 -7.302 16.902 1.00 0.00 C ATOM 215 O TYR A 237 -6.558 -6.783 17.937 1.00 0.00 O ATOM 216 CB TYR A 237 -7.806 -9.389 18.033 1.00 0.00 C ATOM 217 CG TYR A 237 -8.771 -10.554 18.006 1.00 0.00 C ATOM 218 CD1 TYR A 237 -10.051 -10.436 18.532 1.00 0.00 C ATOM 219 CD2 TYR A 237 -8.407 -11.766 17.436 1.00 0.00 C ATOM 220 CE1 TYR A 237 -10.937 -11.495 18.494 1.00 0.00 C ATOM 221 CE2 TYR A 237 -9.288 -12.827 17.390 1.00 0.00 C ATOM 222 CZ TYR A 237 -10.550 -12.688 17.921 1.00 0.00 C ATOM 223 OH TYR A 237 -11.435 -13.744 17.870 1.00 0.00 O ATOM 0 H TYR A 237 -7.445 -9.670 15.453 1.00 0.00 H new ATOM 0 HA TYR A 237 -9.027 -7.851 17.168 1.00 0.00 H new ATOM 0 HB2 TYR A 237 -6.789 -9.764 17.917 1.00 0.00 H new ATOM 0 HB3 TYR A 237 -7.858 -8.904 19.008 1.00 0.00 H new ATOM 0 HD1 TYR A 237 -10.358 -9.502 18.978 1.00 0.00 H new ATOM 0 HD2 TYR A 237 -7.417 -11.881 17.021 1.00 0.00 H new ATOM 0 HE1 TYR A 237 -11.928 -11.389 18.911 1.00 0.00 H new ATOM 0 HE2 TYR A 237 -8.989 -13.762 16.940 1.00 0.00 H new ATOM 0 HH TYR A 237 -11.006 -14.510 17.434 1.00 0.00 H new ATOM 229 N ASP A 238 -6.543 -6.975 15.697 1.00 0.00 N ATOM 230 CA ASP A 238 -5.486 -5.996 15.497 1.00 0.00 C ATOM 231 C ASP A 238 -6.039 -4.790 14.761 1.00 0.00 C ATOM 232 O ASP A 238 -6.382 -4.872 13.580 1.00 0.00 O ATOM 233 CB ASP A 238 -4.336 -6.609 14.691 1.00 0.00 C ATOM 234 CG ASP A 238 -3.093 -5.733 14.657 1.00 0.00 C ATOM 235 OD1 ASP A 238 -3.150 -4.614 14.118 1.00 0.00 O ATOM 236 OD2 ASP A 238 -2.043 -6.175 15.178 1.00 0.00 O ATOM 0 H ASP A 238 -6.907 -7.379 14.834 1.00 0.00 H new ATOM 0 HA ASP A 238 -5.106 -5.686 16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 238 -4.078 -7.578 15.118 1.00 0.00 H new ATOM 0 HB3 ASP A 238 -4.673 -6.790 13.670 1.00 0.00 H new ATOM 239 N THR A 239 -6.162 -3.686 15.461 1.00 0.00 N ATOM 240 CA THR A 239 -6.672 -2.466 14.868 1.00 0.00 C ATOM 241 C THR A 239 -5.515 -1.546 14.459 1.00 0.00 C ATOM 242 O THR A 239 -5.720 -0.394 14.068 1.00 0.00 O ATOM 243 CB THR A 239 -7.591 -1.727 15.864 1.00 0.00 C ATOM 244 OG1 THR A 239 -8.409 -2.686 16.558 1.00 0.00 O ATOM 245 CG2 THR A 239 -8.497 -0.734 15.140 1.00 0.00 C ATOM 0 H THR A 239 -5.915 -3.605 16.447 1.00 0.00 H new ATOM 0 HA THR A 239 -7.247 -2.732 13.981 1.00 0.00 H new ATOM 0 HB THR A 239 -6.965 -1.180 16.568 1.00 0.00 H new ATOM 0 HG1 THR A 239 -8.993 -2.220 17.193 1.00 0.00 H new ATOM 0 HG21 THR A 239 -9.134 -0.227 15.865 1.00 0.00 H new ATOM 0 HG22 THR A 239 -7.886 0.002 14.617 1.00 0.00 H new ATOM 0 HG23 THR A 239 -9.119 -1.267 14.420 1.00 0.00 H new ATOM 252 N ASP A 240 -4.307 -2.073 14.516 1.00 0.00 N ATOM 253 CA ASP A 240 -3.122 -1.290 14.221 1.00 0.00 C ATOM 254 C ASP A 240 -2.738 -1.382 12.756 1.00 0.00 C ATOM 255 O ASP A 240 -2.823 -0.394 12.020 1.00 0.00 O ATOM 256 CB ASP A 240 -1.948 -1.739 15.087 1.00 0.00 C ATOM 257 CG ASP A 240 -2.085 -1.333 16.535 1.00 0.00 C ATOM 258 OD1 ASP A 240 -1.805 -0.158 16.853 1.00 0.00 O ATOM 259 OD2 ASP A 240 -2.451 -2.192 17.375 1.00 0.00 O ATOM 0 H ASP A 240 -4.120 -3.044 14.765 1.00 0.00 H new ATOM 0 HA ASP A 240 -3.361 -0.251 14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 240 -1.856 -2.823 15.028 1.00 0.00 H new ATOM 0 HB3 ASP A 240 -1.027 -1.318 14.684 1.00 0.00 H new ATOM 262 N SER A 241 -2.297 -2.563 12.343 1.00 0.00 N ATOM 263 CA SER A 241 -1.841 -2.805 10.977 1.00 0.00 C ATOM 264 C SER A 241 -2.915 -2.436 9.935 1.00 0.00 C ATOM 265 O SER A 241 -4.108 -2.348 10.245 1.00 0.00 O ATOM 266 CB SER A 241 -1.419 -4.267 10.828 1.00 0.00 C ATOM 267 OG SER A 241 -0.720 -4.496 9.611 1.00 0.00 O ATOM 0 H SER A 241 -2.245 -3.384 12.946 1.00 0.00 H new ATOM 0 HA SER A 241 -0.983 -2.160 10.788 1.00 0.00 H new ATOM 0 HB2 SER A 241 -0.786 -4.550 11.669 1.00 0.00 H new ATOM 0 HB3 SER A 241 -2.302 -4.905 10.865 1.00 0.00 H new ATOM 0 HG SER A 241 -0.466 -5.441 9.553 1.00 0.00 H new ATOM 273 N LEU A 242 -2.477 -2.231 8.701 1.00 0.00 N ATOM 274 CA LEU A 242 -3.357 -1.805 7.632 1.00 0.00 C ATOM 275 C LEU A 242 -3.863 -3.003 6.835 1.00 0.00 C ATOM 276 O LEU A 242 -3.079 -3.843 6.389 1.00 0.00 O ATOM 277 CB LEU A 242 -2.615 -0.834 6.704 1.00 0.00 C ATOM 278 CG LEU A 242 -3.479 -0.070 5.699 1.00 0.00 C ATOM 279 CD1 LEU A 242 -4.436 0.857 6.422 1.00 0.00 C ATOM 280 CD2 LEU A 242 -2.607 0.715 4.733 1.00 0.00 C ATOM 0 H LEU A 242 -1.505 -2.356 8.417 1.00 0.00 H new ATOM 0 HA LEU A 242 -4.216 -1.299 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 242 -2.084 -0.109 7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 242 -1.862 -1.396 6.152 1.00 0.00 H new ATOM 0 HG LEU A 242 -4.062 -0.792 5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 242 -5.044 1.393 5.693 1.00 0.00 H new ATOM 0 HD12 LEU A 242 -5.084 0.273 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 242 -3.869 1.572 7.018 1.00 0.00 H new ATOM 0 HD21 LEU A 242 -3.239 1.252 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 242 -1.998 1.428 5.289 1.00 0.00 H new ATOM 0 HD23 LEU A 242 -1.957 0.029 4.190 1.00 0.00 H new ATOM 292 N LYS A 243 -5.170 -3.073 6.663 1.00 0.00 N ATOM 293 CA LYS A 243 -5.789 -4.142 5.904 1.00 0.00 C ATOM 294 C LYS A 243 -5.883 -3.732 4.436 1.00 0.00 C ATOM 295 O LYS A 243 -6.798 -3.006 4.036 1.00 0.00 O ATOM 296 CB LYS A 243 -7.176 -4.443 6.467 1.00 0.00 C ATOM 297 CG LYS A 243 -7.838 -5.665 5.868 1.00 0.00 C ATOM 298 CD LYS A 243 -9.273 -5.809 6.346 1.00 0.00 C ATOM 299 CE LYS A 243 -9.342 -6.047 7.846 1.00 0.00 C ATOM 300 NZ LYS A 243 -10.740 -6.037 8.345 1.00 0.00 N ATOM 0 H LYS A 243 -5.829 -2.394 7.044 1.00 0.00 H new ATOM 0 HA LYS A 243 -5.183 -5.045 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 243 -7.096 -4.579 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 243 -7.818 -3.578 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 243 -7.821 -5.594 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 243 -7.272 -6.556 6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 243 -9.833 -4.909 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 243 -9.750 -6.638 5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 243 -8.879 -7.005 8.083 1.00 0.00 H new ATOM 0 HE3 LYS A 243 -8.767 -5.278 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 243 -10.743 -6.203 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 243 -11.175 -5.114 8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 243 -11.283 -6.787 7.872 1.00 0.00 H new ATOM 303 N ILE A 244 -4.934 -4.188 3.639 1.00 0.00 N ATOM 304 CA ILE A 244 -4.868 -3.797 2.244 1.00 0.00 C ATOM 305 C ILE A 244 -5.517 -4.825 1.322 1.00 0.00 C ATOM 306 O ILE A 244 -5.332 -6.037 1.480 1.00 0.00 O ATOM 307 CB ILE A 244 -3.415 -3.513 1.796 1.00 0.00 C ATOM 308 CG1 ILE A 244 -2.547 -4.758 1.939 1.00 0.00 C ATOM 309 CG2 ILE A 244 -2.835 -2.369 2.616 1.00 0.00 C ATOM 310 CD1 ILE A 244 -1.136 -4.577 1.428 1.00 0.00 C ATOM 0 H ILE A 244 -4.198 -4.830 3.935 1.00 0.00 H new ATOM 0 HA ILE A 244 -5.438 -2.872 2.161 1.00 0.00 H new ATOM 0 HB ILE A 244 -3.428 -3.229 0.744 1.00 0.00 H new ATOM 0 HG12 ILE A 244 -2.509 -5.045 2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 244 -3.016 -5.581 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 244 -1.812 -2.174 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 244 -3.438 -1.473 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 244 -2.839 -2.640 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 244 -0.579 -5.504 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 244 -1.163 -4.320 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 244 -0.648 -3.776 1.983 1.00 0.00 H new ATOM 321 N LYS A 245 -6.273 -4.324 0.356 1.00 0.00 N ATOM 322 CA LYS A 245 -7.001 -5.168 -0.578 1.00 0.00 C ATOM 323 C LYS A 245 -6.472 -4.980 -1.993 1.00 0.00 C ATOM 324 O LYS A 245 -6.661 -3.923 -2.595 1.00 0.00 O ATOM 325 CB LYS A 245 -8.499 -4.834 -0.537 1.00 0.00 C ATOM 326 CG LYS A 245 -9.368 -5.749 -1.396 1.00 0.00 C ATOM 327 CD LYS A 245 -9.365 -7.184 -0.877 1.00 0.00 C ATOM 328 CE LYS A 245 -9.986 -7.287 0.512 1.00 0.00 C ATOM 329 NZ LYS A 245 -11.432 -6.957 0.509 1.00 0.00 N ATOM 0 H LYS A 245 -6.398 -3.324 0.198 1.00 0.00 H new ATOM 0 HA LYS A 245 -6.857 -6.208 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 245 -8.844 -4.889 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 245 -8.639 -3.804 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 245 -10.390 -5.370 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 245 -9.007 -5.734 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 245 -9.915 -7.822 -1.569 1.00 0.00 H new ATOM 0 HD3 LYS A 245 -8.341 -7.557 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 245 -9.847 -8.298 0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 245 -9.464 -6.614 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 245 -11.842 -7.186 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 245 -11.556 -5.942 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 245 -11.913 -7.510 -0.229 1.00 0.00 H new ATOM 332 N LYS A 246 -5.766 -5.992 -2.488 1.00 0.00 N ATOM 333 CA LYS A 246 -5.223 -6.001 -3.854 1.00 0.00 C ATOM 334 C LYS A 246 -6.188 -5.440 -4.916 1.00 0.00 C ATOM 335 O LYS A 246 -7.386 -5.730 -4.922 1.00 0.00 O ATOM 336 CB LYS A 246 -4.740 -7.418 -4.231 1.00 0.00 C ATOM 337 CG LYS A 246 -5.700 -8.555 -3.870 1.00 0.00 C ATOM 338 CD LYS A 246 -6.883 -8.633 -4.814 1.00 0.00 C ATOM 339 CE LYS A 246 -7.831 -9.746 -4.419 1.00 0.00 C ATOM 340 NZ LYS A 246 -9.034 -9.773 -5.276 1.00 0.00 N ATOM 0 H LYS A 246 -5.550 -6.835 -1.956 1.00 0.00 H new ATOM 0 HA LYS A 246 -4.373 -5.319 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 246 -4.556 -7.447 -5.305 1.00 0.00 H new ATOM 0 HB3 LYS A 246 -3.785 -7.601 -3.739 1.00 0.00 H new ATOM 0 HG2 LYS A 246 -5.161 -9.502 -3.888 1.00 0.00 H new ATOM 0 HG3 LYS A 246 -6.060 -8.413 -2.851 1.00 0.00 H new ATOM 0 HD2 LYS A 246 -7.415 -7.682 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 246 -6.529 -8.798 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 246 -7.315 -10.704 -4.487 1.00 0.00 H new ATOM 0 HE3 LYS A 246 -8.129 -9.617 -3.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 -9.658 -10.548 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 -9.540 -8.868 -5.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 -8.752 -9.921 -6.266 1.00 0.00 H new ATOM 343 N GLY A 247 -5.635 -4.625 -5.799 1.00 0.00 N ATOM 344 CA GLY A 247 -6.402 -4.038 -6.873 1.00 0.00 C ATOM 345 C GLY A 247 -6.641 -2.557 -6.674 1.00 0.00 C ATOM 346 O GLY A 247 -7.132 -1.875 -7.578 1.00 0.00 O ATOM 0 H GLY A 247 -4.651 -4.357 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 247 -5.879 -4.194 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 247 -7.361 -4.550 -6.952 1.00 0.00 H new ATOM 350 N ASP A 248 -6.288 -2.054 -5.504 1.00 0.00 N ATOM 351 CA ASP A 248 -6.504 -0.647 -5.192 1.00 0.00 C ATOM 352 C ASP A 248 -5.174 0.109 -5.129 1.00 0.00 C ATOM 353 O ASP A 248 -4.100 -0.469 -5.370 1.00 0.00 O ATOM 354 CB ASP A 248 -7.259 -0.505 -3.866 1.00 0.00 C ATOM 355 CG ASP A 248 -8.191 0.693 -3.851 1.00 0.00 C ATOM 356 OD1 ASP A 248 -7.709 1.839 -3.914 1.00 0.00 O ATOM 357 OD2 ASP A 248 -9.418 0.490 -3.795 1.00 0.00 O ATOM 0 H ASP A 248 -5.852 -2.593 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 248 -7.107 -0.211 -5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 248 -7.835 -1.412 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 248 -6.541 -0.412 -3.051 1.00 0.00 H new ATOM 360 N ILE A 249 -5.249 1.386 -4.790 1.00 0.00 N ATOM 361 CA ILE A 249 -4.082 2.245 -4.711 1.00 0.00 C ATOM 362 C ILE A 249 -3.962 2.811 -3.300 1.00 0.00 C ATOM 363 O ILE A 249 -4.927 3.345 -2.748 1.00 0.00 O ATOM 364 CB ILE A 249 -4.166 3.423 -5.721 1.00 0.00 C ATOM 365 CG1 ILE A 249 -4.498 2.917 -7.133 1.00 0.00 C ATOM 366 CG2 ILE A 249 -2.857 4.210 -5.732 1.00 0.00 C ATOM 367 CD1 ILE A 249 -3.443 2.016 -7.737 1.00 0.00 C ATOM 0 H ILE A 249 -6.125 1.856 -4.561 1.00 0.00 H new ATOM 0 HA ILE A 249 -3.208 1.643 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 249 -4.970 4.085 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.444 2.377 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -4.644 3.775 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -2.932 5.031 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -2.664 4.610 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -2.039 3.551 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -3.757 1.705 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -2.499 2.557 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -3.311 1.136 -7.107 1.00 0.00 H new ATOM 378 N ILE A 250 -2.793 2.686 -2.721 1.00 0.00 N ATOM 379 CA ILE A 250 -2.552 3.153 -1.370 1.00 0.00 C ATOM 380 C ILE A 250 -1.683 4.401 -1.387 1.00 0.00 C ATOM 381 O ILE A 250 -0.668 4.448 -2.090 1.00 0.00 O ATOM 382 CB ILE A 250 -1.837 2.068 -0.531 1.00 0.00 C ATOM 383 CG1 ILE A 250 -2.558 0.725 -0.669 1.00 0.00 C ATOM 384 CG2 ILE A 250 -1.766 2.488 0.937 1.00 0.00 C ATOM 385 CD1 ILE A 250 -1.808 -0.431 -0.056 1.00 0.00 C ATOM 0 H ILE A 250 -1.981 2.260 -3.168 1.00 0.00 H new ATOM 0 HA ILE A 250 -3.520 3.380 -0.923 1.00 0.00 H new ATOM 0 HB ILE A 250 -0.820 1.955 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 250 -3.539 0.800 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 250 -2.725 0.519 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 250 -1.260 1.713 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 250 -1.212 3.423 1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 250 -2.775 2.628 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 250 -2.380 -1.349 -0.192 1.00 0.00 H new ATOM 0 HD12 ILE A 250 -0.837 -0.533 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 250 -1.664 -0.248 1.009 1.00 0.00 H new ATOM 396 N ASP A 251 -2.083 5.408 -0.630 1.00 0.00 N ATOM 397 CA ASP A 251 -1.295 6.626 -0.509 1.00 0.00 C ATOM 398 C ASP A 251 -0.232 6.390 0.550 1.00 0.00 C ATOM 399 O ASP A 251 -0.456 5.614 1.473 1.00 0.00 O ATOM 400 CB ASP A 251 -2.188 7.807 -0.128 1.00 0.00 C ATOM 401 CG ASP A 251 -1.605 9.141 -0.555 1.00 0.00 C ATOM 402 OD1 ASP A 251 -1.832 9.548 -1.717 1.00 0.00 O ATOM 403 OD2 ASP A 251 -0.937 9.802 0.262 1.00 0.00 O ATOM 0 H ASP A 251 -2.948 5.408 -0.090 1.00 0.00 H new ATOM 0 HA ASP A 251 -0.825 6.868 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 251 -3.168 7.679 -0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 251 -2.340 7.810 0.951 1.00 0.00 H new ATOM 406 N ILE A 252 0.912 7.031 0.427 1.00 0.00 N ATOM 407 CA ILE A 252 2.022 6.762 1.336 1.00 0.00 C ATOM 408 C ILE A 252 2.586 8.044 1.936 1.00 0.00 C ATOM 409 O ILE A 252 2.987 8.949 1.214 1.00 0.00 O ATOM 410 CB ILE A 252 3.162 6.022 0.605 1.00 0.00 C ATOM 411 CG1 ILE A 252 2.600 4.914 -0.285 1.00 0.00 C ATOM 412 CG2 ILE A 252 4.137 5.434 1.618 1.00 0.00 C ATOM 413 CD1 ILE A 252 3.563 4.449 -1.348 1.00 0.00 C ATOM 0 H ILE A 252 1.103 7.737 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 252 1.625 6.139 2.137 1.00 0.00 H new ATOM 0 HB ILE A 252 3.691 6.737 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 252 2.322 4.064 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 252 1.688 5.271 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 252 4.938 4.914 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 252 4.561 6.236 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 252 3.611 4.731 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 252 3.097 3.662 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 252 3.823 5.287 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 252 4.466 4.061 -0.876 1.00 0.00 H new ATOM 424 N ILE A 253 2.634 8.105 3.260 1.00 0.00 N ATOM 425 CA ILE A 253 3.184 9.268 3.954 1.00 0.00 C ATOM 426 C ILE A 253 4.555 8.942 4.549 1.00 0.00 C ATOM 427 O ILE A 253 5.240 9.811 5.085 1.00 0.00 O ATOM 428 CB ILE A 253 2.236 9.769 5.070 1.00 0.00 C ATOM 429 CG1 ILE A 253 1.911 8.636 6.055 1.00 0.00 C ATOM 430 CG2 ILE A 253 0.962 10.348 4.464 1.00 0.00 C ATOM 431 CD1 ILE A 253 1.026 9.060 7.208 1.00 0.00 C ATOM 0 H ILE A 253 2.300 7.365 3.877 1.00 0.00 H new ATOM 0 HA ILE A 253 3.291 10.063 3.216 1.00 0.00 H new ATOM 0 HB ILE A 253 2.740 10.561 5.624 1.00 0.00 H new ATOM 0 HG12 ILE A 253 1.422 7.826 5.513 1.00 0.00 H new ATOM 0 HG13 ILE A 253 2.843 8.236 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 253 0.305 10.696 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 253 1.216 11.184 3.812 1.00 0.00 H new ATOM 0 HG23 ILE A 253 0.452 9.578 3.884 1.00 0.00 H new ATOM 0 HD11 ILE A 253 0.842 8.205 7.859 1.00 0.00 H new ATOM 0 HD12 ILE A 253 1.521 9.848 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 253 0.077 9.432 6.821 1.00 0.00 H new ATOM 442 N CYS A 254 4.936 7.680 4.444 1.00 0.00 N ATOM 443 CA CYS A 254 6.221 7.231 4.960 1.00 0.00 C ATOM 444 C CYS A 254 6.717 5.977 4.261 1.00 0.00 C ATOM 445 O CYS A 254 6.152 4.892 4.427 1.00 0.00 O ATOM 446 CB CYS A 254 6.152 6.992 6.471 1.00 0.00 C ATOM 447 SG CYS A 254 7.752 6.634 7.244 1.00 0.00 S ATOM 0 H CYS A 254 4.376 6.948 4.007 1.00 0.00 H new ATOM 0 HA CYS A 254 6.934 8.030 4.756 1.00 0.00 H new ATOM 0 HB2 CYS A 254 5.721 7.873 6.947 1.00 0.00 H new ATOM 0 HB3 CYS A 254 5.474 6.161 6.665 1.00 0.00 H new ATOM 0 HG CYS A 254 8.015 5.366 7.129 1.00 0.00 H new ATOM 453 N LYS A 255 7.770 6.131 3.475 1.00 0.00 N ATOM 454 CA LYS A 255 8.403 5.006 2.821 1.00 0.00 C ATOM 455 C LYS A 255 9.585 4.548 3.656 1.00 0.00 C ATOM 456 O LYS A 255 10.696 5.063 3.517 1.00 0.00 O ATOM 457 CB LYS A 255 8.869 5.351 1.392 1.00 0.00 C ATOM 458 CG LYS A 255 7.738 5.625 0.397 1.00 0.00 C ATOM 459 CD LYS A 255 7.145 7.024 0.556 1.00 0.00 C ATOM 460 CE LYS A 255 7.953 8.085 -0.195 1.00 0.00 C ATOM 461 NZ LYS A 255 9.352 8.207 0.293 1.00 0.00 N ATOM 0 H LYS A 255 8.204 7.032 3.276 1.00 0.00 H new ATOM 0 HA LYS A 255 7.667 4.206 2.735 1.00 0.00 H new ATOM 0 HB2 LYS A 255 9.515 6.228 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 255 9.475 4.528 1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 255 8.116 5.507 -0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 255 6.951 4.883 0.533 1.00 0.00 H new ATOM 0 HD2 LYS A 255 6.118 7.025 0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 255 7.106 7.282 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 255 7.965 7.839 -1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 255 7.455 9.049 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 9.740 9.129 0.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 9.366 8.131 1.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 9.931 7.447 -0.118 1.00 0.00 H new ATOM 464 N THR A 256 9.330 3.627 4.555 1.00 0.00 N ATOM 465 CA THR A 256 10.355 3.109 5.425 1.00 0.00 C ATOM 466 C THR A 256 11.048 1.903 4.775 1.00 0.00 C ATOM 467 O THR A 256 10.420 0.866 4.536 1.00 0.00 O ATOM 468 CB THR A 256 9.756 2.705 6.787 1.00 0.00 C ATOM 469 OG1 THR A 256 8.949 3.783 7.301 1.00 0.00 O ATOM 470 CG2 THR A 256 10.854 2.383 7.786 1.00 0.00 C ATOM 0 H THR A 256 8.408 3.217 4.703 1.00 0.00 H new ATOM 0 HA THR A 256 11.094 3.893 5.589 1.00 0.00 H new ATOM 0 HB THR A 256 9.142 1.816 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 256 8.568 3.523 8.166 1.00 0.00 H new ATOM 0 HG21 THR A 256 10.407 2.101 8.739 1.00 0.00 H new ATOM 0 HG22 THR A 256 11.458 1.557 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 256 11.486 3.260 7.927 1.00 0.00 H new ATOM 477 N PRO A 257 12.359 2.020 4.494 1.00 0.00 N ATOM 478 CA PRO A 257 13.132 0.966 3.811 1.00 0.00 C ATOM 479 C PRO A 257 13.380 -0.278 4.680 1.00 0.00 C ATOM 480 O PRO A 257 14.201 -1.136 4.334 1.00 0.00 O ATOM 481 CB PRO A 257 14.457 1.661 3.482 1.00 0.00 C ATOM 482 CG PRO A 257 14.591 2.727 4.513 1.00 0.00 C ATOM 483 CD PRO A 257 13.195 3.198 4.813 1.00 0.00 C ATOM 0 HA PRO A 257 12.596 0.583 2.943 1.00 0.00 H new ATOM 0 HB2 PRO A 257 15.292 0.962 3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 257 14.444 2.082 2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 257 15.073 2.341 5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 257 15.208 3.547 4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 257 13.087 3.497 5.856 1.00 0.00 H new ATOM 0 HD3 PRO A 257 12.923 4.060 4.205 1.00 0.00 H new ATOM 491 N MET A 258 12.674 -0.375 5.794 1.00 0.00 N ATOM 492 CA MET A 258 12.809 -1.518 6.684 1.00 0.00 C ATOM 493 C MET A 258 11.891 -2.656 6.243 1.00 0.00 C ATOM 494 O MET A 258 12.178 -3.827 6.489 1.00 0.00 O ATOM 495 CB MET A 258 12.503 -1.113 8.131 1.00 0.00 C ATOM 496 CG MET A 258 12.679 -2.243 9.137 1.00 0.00 C ATOM 497 SD MET A 258 12.398 -1.720 10.841 1.00 0.00 S ATOM 498 CE MET A 258 13.703 -0.505 11.042 1.00 0.00 C ATOM 0 H MET A 258 12.000 0.325 6.105 1.00 0.00 H new ATOM 0 HA MET A 258 13.840 -1.869 6.634 1.00 0.00 H new ATOM 0 HB2 MET A 258 13.154 -0.285 8.412 1.00 0.00 H new ATOM 0 HB3 MET A 258 11.478 -0.746 8.187 1.00 0.00 H new ATOM 0 HG2 MET A 258 11.989 -3.051 8.892 1.00 0.00 H new ATOM 0 HG3 MET A 258 13.687 -2.647 9.048 1.00 0.00 H new ATOM 0 HE1 MET A 258 13.921 -0.378 12.102 1.00 0.00 H new ATOM 0 HE2 MET A 258 14.600 -0.846 10.525 1.00 0.00 H new ATOM 0 HE3 MET A 258 13.381 0.447 10.621 1.00 0.00 H new ATOM 508 N GLY A 259 10.799 -2.310 5.577 1.00 0.00 N ATOM 509 CA GLY A 259 9.868 -3.323 5.119 1.00 0.00 C ATOM 510 C GLY A 259 8.431 -2.860 5.189 1.00 0.00 C ATOM 511 O GLY A 259 7.611 -3.214 4.339 1.00 0.00 O ATOM 0 H GLY A 259 10.541 -1.351 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 259 10.109 -3.596 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 259 9.987 -4.222 5.724 1.00 0.00 H new ATOM 515 N MET A 260 8.127 -2.064 6.191 1.00 0.00 N ATOM 516 CA MET A 260 6.779 -1.563 6.380 1.00 0.00 C ATOM 517 C MET A 260 6.676 -0.106 5.943 1.00 0.00 C ATOM 518 O MET A 260 7.576 0.695 6.197 1.00 0.00 O ATOM 519 CB MET A 260 6.343 -1.708 7.853 1.00 0.00 C ATOM 520 CG MET A 260 7.104 -0.814 8.841 1.00 0.00 C ATOM 521 SD MET A 260 8.865 -1.220 8.982 1.00 0.00 S ATOM 522 CE MET A 260 8.782 -2.866 9.691 1.00 0.00 C ATOM 0 H MET A 260 8.797 -1.747 6.892 1.00 0.00 H new ATOM 0 HA MET A 260 6.110 -2.159 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 260 5.279 -1.482 7.926 1.00 0.00 H new ATOM 0 HB3 MET A 260 6.470 -2.748 8.154 1.00 0.00 H new ATOM 0 HG2 MET A 260 7.004 0.225 8.529 1.00 0.00 H new ATOM 0 HG3 MET A 260 6.641 -0.898 9.824 1.00 0.00 H new ATOM 0 HE1 MET A 260 9.757 -3.137 10.097 1.00 0.00 H new ATOM 0 HE2 MET A 260 8.039 -2.882 10.489 1.00 0.00 H new ATOM 0 HE3 MET A 260 8.500 -3.581 8.918 1.00 0.00 H new ATOM 532 N TRP A 261 5.591 0.227 5.272 1.00 0.00 N ATOM 533 CA TRP A 261 5.331 1.584 4.827 1.00 0.00 C ATOM 534 C TRP A 261 4.046 2.080 5.460 1.00 0.00 C ATOM 535 O TRP A 261 3.048 1.361 5.486 1.00 0.00 O ATOM 536 CB TRP A 261 5.170 1.632 3.299 1.00 0.00 C ATOM 537 CG TRP A 261 6.451 1.610 2.522 1.00 0.00 C ATOM 538 CD1 TRP A 261 7.711 1.432 3.004 1.00 0.00 C ATOM 539 CD2 TRP A 261 6.584 1.775 1.106 1.00 0.00 C ATOM 540 NE1 TRP A 261 8.621 1.487 1.977 1.00 0.00 N ATOM 541 CE2 TRP A 261 7.953 1.691 0.802 1.00 0.00 C ATOM 542 CE3 TRP A 261 5.676 1.985 0.065 1.00 0.00 C ATOM 543 CZ2 TRP A 261 8.436 1.812 -0.496 1.00 0.00 C ATOM 544 CZ3 TRP A 261 6.159 2.102 -1.225 1.00 0.00 C ATOM 545 CH2 TRP A 261 7.525 2.014 -1.494 1.00 0.00 C ATOM 0 H TRP A 261 4.861 -0.439 5.018 1.00 0.00 H new ATOM 0 HA TRP A 261 6.173 2.211 5.121 1.00 0.00 H new ATOM 0 HB2 TRP A 261 4.560 0.784 2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 261 4.619 2.535 3.036 1.00 0.00 H new ATOM 0 HD1 TRP A 261 7.959 1.271 4.043 1.00 0.00 H new ATOM 0 HE1 TRP A 261 9.632 1.391 2.075 1.00 0.00 H new ATOM 0 HE3 TRP A 261 4.617 2.055 0.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 261 9.493 1.749 -0.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 261 5.467 2.264 -2.038 1.00 0.00 H new ATOM 0 HH2 TRP A 261 7.870 2.108 -2.513 1.00 0.00 H new ATOM 551 N THR A 262 4.059 3.293 5.959 1.00 0.00 N ATOM 552 CA THR A 262 2.864 3.859 6.536 1.00 0.00 C ATOM 553 C THR A 262 2.081 4.589 5.462 1.00 0.00 C ATOM 554 O THR A 262 2.541 5.597 4.901 1.00 0.00 O ATOM 555 CB THR A 262 3.196 4.831 7.687 1.00 0.00 C ATOM 556 OG1 THR A 262 4.012 4.165 8.657 1.00 0.00 O ATOM 557 CG2 THR A 262 1.922 5.327 8.362 1.00 0.00 C ATOM 0 H THR A 262 4.877 3.903 5.977 1.00 0.00 H new ATOM 0 HA THR A 262 2.267 3.044 6.946 1.00 0.00 H new ATOM 0 HB THR A 262 3.730 5.686 7.272 1.00 0.00 H new ATOM 0 HG1 THR A 262 4.224 4.784 9.387 1.00 0.00 H new ATOM 0 HG21 THR A 262 2.181 6.011 9.170 1.00 0.00 H new ATOM 0 HG22 THR A 262 1.302 5.847 7.632 1.00 0.00 H new ATOM 0 HG23 THR A 262 1.371 4.478 8.767 1.00 0.00 H new ATOM 564 N GLY A 263 0.912 4.071 5.169 1.00 0.00 N ATOM 565 CA GLY A 263 0.100 4.638 4.143 1.00 0.00 C ATOM 566 C GLY A 263 -1.329 4.829 4.567 1.00 0.00 C ATOM 567 O GLY A 263 -1.664 4.680 5.745 1.00 0.00 O ATOM 0 H GLY A 263 0.510 3.256 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 263 0.517 5.600 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 263 0.130 3.993 3.265 1.00 0.00 H new ATOM 571 N MET A 264 -2.167 5.131 3.606 1.00 0.00 N ATOM 572 CA MET A 264 -3.566 5.397 3.859 1.00 0.00 C ATOM 573 C MET A 264 -4.445 4.668 2.852 1.00 0.00 C ATOM 574 O MET A 264 -4.328 4.872 1.637 1.00 0.00 O ATOM 575 CB MET A 264 -3.833 6.905 3.817 1.00 0.00 C ATOM 576 CG MET A 264 -5.266 7.294 4.148 1.00 0.00 C ATOM 577 SD MET A 264 -5.503 9.083 4.183 1.00 0.00 S ATOM 578 CE MET A 264 -7.260 9.183 4.514 1.00 0.00 C ATOM 0 H MET A 264 -1.900 5.200 2.624 1.00 0.00 H new ATOM 0 HA MET A 264 -3.814 5.027 4.854 1.00 0.00 H new ATOM 0 HB2 MET A 264 -3.162 7.401 4.519 1.00 0.00 H new ATOM 0 HB3 MET A 264 -3.587 7.279 2.823 1.00 0.00 H new ATOM 0 HG2 MET A 264 -5.938 6.856 3.410 1.00 0.00 H new ATOM 0 HG3 MET A 264 -5.539 6.875 5.117 1.00 0.00 H new ATOM 0 HE1 MET A 264 -7.562 10.229 4.565 1.00 0.00 H new ATOM 0 HE2 MET A 264 -7.810 8.686 3.715 1.00 0.00 H new ATOM 0 HE3 MET A 264 -7.480 8.695 5.464 1.00 0.00 H new ATOM 588 N LEU A 265 -5.310 3.812 3.361 1.00 0.00 N ATOM 589 CA LEU A 265 -6.229 3.038 2.542 1.00 0.00 C ATOM 590 C LEU A 265 -7.552 2.896 3.280 1.00 0.00 C ATOM 591 O LEU A 265 -7.556 2.758 4.496 1.00 0.00 O ATOM 592 CB LEU A 265 -5.640 1.654 2.247 1.00 0.00 C ATOM 593 CG LEU A 265 -6.465 0.761 1.320 1.00 0.00 C ATOM 594 CD1 LEU A 265 -6.473 1.309 -0.094 1.00 0.00 C ATOM 595 CD2 LEU A 265 -5.937 -0.656 1.339 1.00 0.00 C ATOM 0 H LEU A 265 -5.397 3.631 4.361 1.00 0.00 H new ATOM 0 HA LEU A 265 -6.392 3.552 1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 265 -4.652 1.787 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 265 -5.499 1.131 3.193 1.00 0.00 H new ATOM 0 HG LEU A 265 -7.492 0.751 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 265 -7.066 0.656 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 265 -6.907 2.309 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 265 -5.452 1.356 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 265 -6.537 -1.277 0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 265 -4.900 -0.662 1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 265 -5.994 -1.052 2.353 1.00 0.00 H new ATOM 607 N ASN A 266 -8.670 2.946 2.538 1.00 0.00 N ATOM 608 CA ASN A 266 -10.037 2.859 3.113 1.00 0.00 C ATOM 609 C ASN A 266 -10.218 3.772 4.333 1.00 0.00 C ATOM 610 O ASN A 266 -10.848 3.397 5.324 1.00 0.00 O ATOM 611 CB ASN A 266 -10.482 1.391 3.424 1.00 0.00 C ATOM 612 CG ASN A 266 -9.529 0.598 4.315 1.00 0.00 C ATOM 613 OD1 ASN A 266 -9.580 0.687 5.544 1.00 0.00 O ATOM 614 ND2 ASN A 266 -8.680 -0.210 3.696 1.00 0.00 N ATOM 0 H ASN A 266 -8.660 3.048 1.523 1.00 0.00 H new ATOM 0 HA ASN A 266 -10.704 3.225 2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 266 -11.462 1.419 3.901 1.00 0.00 H new ATOM 0 HB3 ASN A 266 -10.602 0.857 2.481 1.00 0.00 H new ATOM 0 HD21 ASN A 266 -8.037 -0.787 4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 266 -8.669 -0.255 2.677 1.00 0.00 H new ATOM 621 N ASN A 267 -9.661 4.990 4.229 1.00 0.00 N ATOM 622 CA ASN A 267 -9.757 6.025 5.279 1.00 0.00 C ATOM 623 C ASN A 267 -8.967 5.637 6.544 1.00 0.00 C ATOM 624 O ASN A 267 -9.054 6.305 7.574 1.00 0.00 O ATOM 625 CB ASN A 267 -11.236 6.324 5.624 1.00 0.00 C ATOM 626 CG ASN A 267 -11.419 7.564 6.495 1.00 0.00 C ATOM 627 OD1 ASN A 267 -10.642 8.518 6.417 1.00 0.00 O ATOM 628 ND2 ASN A 267 -12.449 7.557 7.323 1.00 0.00 N ATOM 0 H ASN A 267 -9.129 5.288 3.412 1.00 0.00 H new ATOM 0 HA ASN A 267 -9.305 6.933 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 267 -11.798 6.453 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 267 -11.662 5.462 6.138 1.00 0.00 H new ATOM 0 HD21 ASN A 267 -12.623 8.360 7.927 1.00 0.00 H new ATOM 0 HD22 ASN A 267 -13.070 6.748 7.358 1.00 0.00 H new ATOM 635 N LYS A 268 -8.186 4.577 6.455 1.00 0.00 N ATOM 636 CA LYS A 268 -7.385 4.131 7.578 1.00 0.00 C ATOM 637 C LYS A 268 -5.902 4.288 7.276 1.00 0.00 C ATOM 638 O LYS A 268 -5.451 4.003 6.166 1.00 0.00 O ATOM 639 CB LYS A 268 -7.695 2.665 7.921 1.00 0.00 C ATOM 640 CG LYS A 268 -6.883 2.121 9.096 1.00 0.00 C ATOM 641 CD LYS A 268 -7.132 0.636 9.311 1.00 0.00 C ATOM 642 CE LYS A 268 -6.289 0.081 10.454 1.00 0.00 C ATOM 643 NZ LYS A 268 -6.645 0.695 11.757 1.00 0.00 N ATOM 0 H LYS A 268 -8.089 4.008 5.614 1.00 0.00 H new ATOM 0 HA LYS A 268 -7.637 4.753 8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 268 -8.756 2.572 8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 268 -7.504 2.048 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 268 -5.822 2.290 8.914 1.00 0.00 H new ATOM 0 HG3 LYS A 268 -7.142 2.669 10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 268 -8.188 0.472 9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 268 -6.904 0.093 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 268 -6.425 -0.999 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 268 -5.234 0.259 10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 268 -6.378 0.051 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 268 -6.137 1.596 11.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 268 -7.670 0.869 11.790 1.00 0.00 H new ATOM 646 N VAL A 269 -5.161 4.762 8.252 1.00 0.00 N ATOM 647 CA VAL A 269 -3.725 4.896 8.127 1.00 0.00 C ATOM 648 C VAL A 269 -3.051 3.750 8.878 1.00 0.00 C ATOM 649 O VAL A 269 -3.483 3.383 9.976 1.00 0.00 O ATOM 650 CB VAL A 269 -3.232 6.269 8.679 1.00 0.00 C ATOM 651 CG1 VAL A 269 -3.653 6.464 10.131 1.00 0.00 C ATOM 652 CG2 VAL A 269 -1.722 6.409 8.533 1.00 0.00 C ATOM 0 H VAL A 269 -5.534 5.065 9.152 1.00 0.00 H new ATOM 0 HA VAL A 269 -3.459 4.854 7.071 1.00 0.00 H new ATOM 0 HB VAL A 269 -3.704 7.051 8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -3.295 7.430 10.487 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -4.740 6.432 10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -3.226 5.670 10.744 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -1.407 7.376 8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -1.227 5.612 9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -1.450 6.339 7.480 1.00 0.00 H new ATOM 662 N GLY A 270 -2.026 3.158 8.292 1.00 0.00 N ATOM 663 CA GLY A 270 -1.354 2.054 8.934 1.00 0.00 C ATOM 664 C GLY A 270 -0.109 1.660 8.176 1.00 0.00 C ATOM 665 O GLY A 270 0.150 2.191 7.096 1.00 0.00 O ATOM 0 H GLY A 270 -1.647 3.423 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 270 -1.090 2.329 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 270 -2.029 1.201 8.998 1.00 0.00 H new ATOM 669 N ASN A 271 0.661 0.733 8.719 1.00 0.00 N ATOM 670 CA ASN A 271 1.902 0.319 8.070 1.00 0.00 C ATOM 671 C ASN A 271 1.833 -1.103 7.516 1.00 0.00 C ATOM 672 O ASN A 271 1.867 -2.086 8.256 1.00 0.00 O ATOM 673 CB ASN A 271 3.131 0.503 8.998 1.00 0.00 C ATOM 674 CG ASN A 271 3.055 -0.287 10.298 1.00 0.00 C ATOM 675 OD1 ASN A 271 3.508 -1.427 10.376 1.00 0.00 O ATOM 676 ND2 ASN A 271 2.503 0.321 11.327 1.00 0.00 N ATOM 0 H ASN A 271 0.456 0.255 9.597 1.00 0.00 H new ATOM 0 HA ASN A 271 2.031 0.983 7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 271 4.029 0.205 8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 271 3.238 1.562 9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 271 2.441 -0.155 12.227 1.00 0.00 H new ATOM 0 HD22 ASN A 271 2.138 1.268 11.224 1.00 0.00 H new ATOM 683 N PHE A 272 1.671 -1.191 6.214 1.00 0.00 N ATOM 684 CA PHE A 272 1.690 -2.461 5.502 1.00 0.00 C ATOM 685 C PHE A 272 3.094 -2.726 4.963 1.00 0.00 C ATOM 686 O PHE A 272 3.962 -1.869 5.050 1.00 0.00 O ATOM 687 CB PHE A 272 0.696 -2.408 4.334 1.00 0.00 C ATOM 688 CG PHE A 272 1.033 -1.346 3.309 1.00 0.00 C ATOM 689 CD1 PHE A 272 0.678 -0.021 3.516 1.00 0.00 C ATOM 690 CD2 PHE A 272 1.712 -1.675 2.147 1.00 0.00 C ATOM 691 CE1 PHE A 272 0.995 0.951 2.587 1.00 0.00 C ATOM 692 CE2 PHE A 272 2.030 -0.707 1.217 1.00 0.00 C ATOM 693 CZ PHE A 272 1.672 0.607 1.436 1.00 0.00 C ATOM 0 H PHE A 272 1.521 -0.382 5.611 1.00 0.00 H new ATOM 0 HA PHE A 272 1.407 -3.262 6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 272 0.670 -3.381 3.844 1.00 0.00 H new ATOM 0 HB3 PHE A 272 -0.304 -2.221 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 272 0.147 0.254 4.415 1.00 0.00 H new ATOM 0 HD2 PHE A 272 1.996 -2.701 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 272 0.713 1.979 2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 272 2.560 -0.978 0.316 1.00 0.00 H new ATOM 0 HZ PHE A 272 1.921 1.365 0.708 1.00 0.00 H new ATOM 699 N LYS A 273 3.315 -3.895 4.399 1.00 0.00 N ATOM 700 CA LYS A 273 4.609 -4.205 3.810 1.00 0.00 C ATOM 701 C LYS A 273 4.586 -3.921 2.316 1.00 0.00 C ATOM 702 O LYS A 273 3.764 -4.480 1.580 1.00 0.00 O ATOM 703 CB LYS A 273 5.000 -5.657 4.060 1.00 0.00 C ATOM 704 CG LYS A 273 5.197 -6.010 5.521 1.00 0.00 C ATOM 705 CD LYS A 273 5.618 -7.459 5.671 1.00 0.00 C ATOM 706 CE LYS A 273 5.884 -7.817 7.122 1.00 0.00 C ATOM 707 NZ LYS A 273 6.265 -9.242 7.270 1.00 0.00 N ATOM 0 H LYS A 273 2.625 -4.643 4.334 1.00 0.00 H new ATOM 0 HA LYS A 273 5.355 -3.569 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 273 4.229 -6.305 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 273 5.922 -5.870 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 273 5.954 -5.359 5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 273 4.272 -5.836 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 273 4.838 -8.108 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 273 6.516 -7.640 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 273 6.680 -7.184 7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 273 4.994 -7.614 7.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 6.439 -9.452 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 5.494 -9.846 6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 7.129 -9.429 6.722 1.00 0.00 H new ATOM 710 N PHE A 274 5.493 -3.058 1.867 1.00 0.00 N ATOM 711 CA PHE A 274 5.561 -2.661 0.453 1.00 0.00 C ATOM 712 C PHE A 274 5.844 -3.844 -0.478 1.00 0.00 C ATOM 713 O PHE A 274 5.734 -3.722 -1.695 1.00 0.00 O ATOM 714 CB PHE A 274 6.610 -1.560 0.236 1.00 0.00 C ATOM 715 CG PHE A 274 8.043 -1.994 0.442 1.00 0.00 C ATOM 716 CD1 PHE A 274 8.765 -2.562 -0.597 1.00 0.00 C ATOM 717 CD2 PHE A 274 8.667 -1.822 1.665 1.00 0.00 C ATOM 718 CE1 PHE A 274 10.075 -2.950 -0.419 1.00 0.00 C ATOM 719 CE2 PHE A 274 9.982 -2.209 1.849 1.00 0.00 C ATOM 720 CZ PHE A 274 10.685 -2.774 0.806 1.00 0.00 C ATOM 0 H PHE A 274 6.196 -2.616 2.460 1.00 0.00 H new ATOM 0 HA PHE A 274 4.576 -2.270 0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 274 6.505 -1.174 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 274 6.395 -0.735 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 274 8.294 -2.702 -1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 274 8.121 -1.380 2.485 1.00 0.00 H new ATOM 0 HE1 PHE A 274 10.624 -3.392 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 274 10.458 -2.069 2.808 1.00 0.00 H new ATOM 0 HZ PHE A 274 11.712 -3.078 0.948 1.00 0.00 H new ATOM 726 N ILE A 275 6.174 -4.984 0.098 1.00 0.00 N ATOM 727 CA ILE A 275 6.489 -6.169 -0.682 1.00 0.00 C ATOM 728 C ILE A 275 5.242 -6.706 -1.389 1.00 0.00 C ATOM 729 O ILE A 275 5.342 -7.486 -2.338 1.00 0.00 O ATOM 730 CB ILE A 275 7.101 -7.285 0.196 1.00 0.00 C ATOM 731 CG1 ILE A 275 6.104 -7.730 1.272 1.00 0.00 C ATOM 732 CG2 ILE A 275 8.402 -6.802 0.831 1.00 0.00 C ATOM 733 CD1 ILE A 275 6.616 -8.841 2.162 1.00 0.00 C ATOM 0 H ILE A 275 6.231 -5.116 1.108 1.00 0.00 H new ATOM 0 HA ILE A 275 7.226 -5.871 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 275 7.324 -8.145 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 275 5.846 -6.871 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 275 5.185 -8.060 0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 275 8.823 -7.597 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 275 9.112 -6.535 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 275 8.202 -5.929 1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 275 5.853 -9.099 2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 275 6.846 -9.717 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 275 7.518 -8.509 2.676 1.00 0.00 H new ATOM 744 N TYR A 276 4.063 -6.286 -0.927 1.00 0.00 N ATOM 745 CA TYR A 276 2.813 -6.731 -1.524 1.00 0.00 C ATOM 746 C TYR A 276 2.312 -5.717 -2.557 1.00 0.00 C ATOM 747 O TYR A 276 1.324 -5.965 -3.276 1.00 0.00 O ATOM 748 CB TYR A 276 1.741 -6.910 -0.441 1.00 0.00 C ATOM 749 CG TYR A 276 2.155 -7.777 0.732 1.00 0.00 C ATOM 750 CD1 TYR A 276 2.484 -9.117 0.562 1.00 0.00 C ATOM 751 CD2 TYR A 276 2.203 -7.250 2.016 1.00 0.00 C ATOM 752 CE1 TYR A 276 2.848 -9.905 1.643 1.00 0.00 C ATOM 753 CE2 TYR A 276 2.567 -8.029 3.096 1.00 0.00 C ATOM 754 CZ TYR A 276 2.887 -9.351 2.907 1.00 0.00 C ATOM 755 OH TYR A 276 3.247 -10.125 3.988 1.00 0.00 O ATOM 0 H TYR A 276 3.953 -5.641 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 276 3.000 -7.684 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 276 1.458 -5.927 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 276 0.852 -7.344 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 276 2.456 -9.551 -0.427 1.00 0.00 H new ATOM 0 HD2 TYR A 276 1.951 -6.212 2.172 1.00 0.00 H new ATOM 0 HE1 TYR A 276 3.099 -10.945 1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 276 2.600 -7.600 4.087 1.00 0.00 H new ATOM 0 HH TYR A 276 3.224 -9.580 4.802 1.00 0.00 H new ATOM 761 N VAL A 277 2.982 -4.580 -2.641 1.00 0.00 N ATOM 762 CA VAL A 277 2.547 -3.519 -3.529 1.00 0.00 C ATOM 763 C VAL A 277 3.635 -3.148 -4.531 1.00 0.00 C ATOM 764 O VAL A 277 4.712 -3.746 -4.555 1.00 0.00 O ATOM 765 CB VAL A 277 2.125 -2.246 -2.738 1.00 0.00 C ATOM 766 CG1 VAL A 277 1.172 -2.597 -1.603 1.00 0.00 C ATOM 767 CG2 VAL A 277 3.343 -1.503 -2.206 1.00 0.00 C ATOM 0 H VAL A 277 3.825 -4.370 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 277 1.682 -3.903 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 277 1.600 -1.586 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 277 0.894 -1.689 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 277 0.277 -3.066 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 277 1.662 -3.287 -0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 277 3.019 -0.618 -1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 277 3.906 -2.157 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 277 3.978 -1.201 -3.039 1.00 0.00 H new ATOM 777 N ASP A 278 3.327 -2.176 -5.362 1.00 0.00 N ATOM 778 CA ASP A 278 4.256 -1.650 -6.342 1.00 0.00 C ATOM 779 C ASP A 278 4.133 -0.151 -6.387 1.00 0.00 C ATOM 780 O ASP A 278 3.031 0.381 -6.348 1.00 0.00 O ATOM 781 CB ASP A 278 4.004 -2.245 -7.727 1.00 0.00 C ATOM 782 CG ASP A 278 4.986 -3.342 -8.066 1.00 0.00 C ATOM 783 OD1 ASP A 278 6.088 -3.025 -8.557 1.00 0.00 O ATOM 784 OD2 ASP A 278 4.669 -4.525 -7.842 1.00 0.00 O ATOM 0 H ASP A 278 2.414 -1.722 -5.377 1.00 0.00 H new ATOM 0 HA ASP A 278 5.268 -1.928 -6.046 1.00 0.00 H new ATOM 0 HB2 ASP A 278 2.990 -2.642 -7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 278 4.070 -1.456 -8.477 1.00 0.00 H new ATOM 787 N VAL A 279 5.246 0.531 -6.483 1.00 0.00 N ATOM 788 CA VAL A 279 5.236 1.974 -6.460 1.00 0.00 C ATOM 789 C VAL A 279 5.241 2.531 -7.877 1.00 0.00 C ATOM 790 O VAL A 279 6.130 2.231 -8.676 1.00 0.00 O ATOM 791 CB VAL A 279 6.422 2.553 -5.628 1.00 0.00 C ATOM 792 CG1 VAL A 279 7.761 2.041 -6.139 1.00 0.00 C ATOM 793 CG2 VAL A 279 6.389 4.076 -5.620 1.00 0.00 C ATOM 0 H VAL A 279 6.171 0.112 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 279 4.316 2.288 -5.967 1.00 0.00 H new ATOM 0 HB VAL A 279 6.306 2.206 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 279 8.566 2.464 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL A 279 7.786 0.954 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 279 7.891 2.338 -7.180 1.00 0.00 H new ATOM 0 HG21 VAL A 279 7.226 4.455 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 279 6.465 4.447 -6.642 1.00 0.00 H new ATOM 0 HG23 VAL A 279 5.453 4.417 -5.179 1.00 0.00 H new ATOM 803 N ILE A 280 4.231 3.317 -8.194 1.00 0.00 N ATOM 804 CA ILE A 280 4.121 3.904 -9.516 1.00 0.00 C ATOM 805 C ILE A 280 4.533 5.364 -9.498 1.00 0.00 C ATOM 806 O ILE A 280 4.605 6.013 -10.539 1.00 0.00 O ATOM 807 CB ILE A 280 2.697 3.767 -10.127 1.00 0.00 C ATOM 808 CG1 ILE A 280 1.613 4.398 -9.219 1.00 0.00 C ATOM 809 CG2 ILE A 280 2.382 2.305 -10.418 1.00 0.00 C ATOM 810 CD1 ILE A 280 1.097 3.491 -8.113 1.00 0.00 C ATOM 0 H ILE A 280 3.475 3.564 -7.555 1.00 0.00 H new ATOM 0 HA ILE A 280 4.803 3.340 -10.153 1.00 0.00 H new ATOM 0 HB ILE A 280 2.687 4.320 -11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 280 2.020 5.303 -8.767 1.00 0.00 H new ATOM 0 HG13 ILE A 280 0.771 4.703 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 280 1.382 2.226 -10.845 1.00 0.00 H new ATOM 0 HG22 ILE A 280 3.111 1.910 -11.125 1.00 0.00 H new ATOM 0 HG23 ILE A 280 2.427 1.732 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 280 0.342 4.020 -7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 280 0.655 2.597 -8.552 1.00 0.00 H new ATOM 0 HD13 ILE A 280 1.923 3.205 -7.462 1.00 0.00 H new