USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 545 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 309 HIS : no HE2:sc= -19.1! C(o=-20!,f=-23!) USER MOD Set 1.2: A 312 CYS SG : rot -135:sc= -0.837 USER MOD Single : A 249 MET CE :methyl 156:sc= -0.184 (180deg=-0.854) USER MOD Single : A 251 GLN : amide:sc= -5.11 K(o=-5.1,f=-13!) USER MOD Single : A 252 CYS SG : rot 60:sc= -6.75! USER MOD Single : A 254 SER OG : rot 94:sc= 0.191! USER MOD Single : A 260 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 263 THR OG1 : rot 100:sc= 1.27 USER MOD Single : A 267 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.6!) USER MOD Single : A 275 SER OG : rot 132:sc= -2.38! USER MOD Single : A 276 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 278 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 279 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 280 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.9!) USER MOD Single : A 281 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 284 ASN : amide:sc= -0.331 K(o=-0.33,f=-1.3) USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 LYS NZ :NH3+ 165:sc= -0.197 (180deg=-0.767) USER MOD Single : A 296 ASN : amide:sc= 0.198 K(o=0.2,f=-1.6!) USER MOD Single : A 299 SER OG : rot 180:sc= 0 USER MOD Single : A 300 THR OG1 : rot 150:sc= -0.513 USER MOD Single : A 302 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 305 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 MET CE :methyl -158:sc= -0.113 (180deg=-0.553) USER MOD Single : A 310 THR OG1 : rot 180:sc= 0 USER MOD Single : A 311 ASN : amide:sc= -7.49! C(o=-7.5!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 75 N ARG A 247 -5.627 -15.329 3.077 1.00 0.00 N ATOM 76 CA ARG A 247 -4.932 -14.588 2.029 1.00 0.00 C ATOM 77 C ARG A 247 -5.376 -13.148 1.999 1.00 0.00 C ATOM 78 O ARG A 247 -6.277 -12.741 2.734 1.00 0.00 O ATOM 79 CB ARG A 247 -5.151 -15.244 0.665 1.00 0.00 C ATOM 80 CG ARG A 247 -6.599 -15.621 0.397 1.00 0.00 C ATOM 81 CD ARG A 247 -6.788 -16.139 -1.019 1.00 0.00 C ATOM 82 NE ARG A 247 -8.023 -15.644 -1.622 1.00 0.00 N ATOM 83 CZ ARG A 247 -8.389 -15.897 -2.876 1.00 0.00 C ATOM 84 NH1 ARG A 247 -7.619 -16.638 -3.663 1.00 0.00 N ATOM 85 NH2 ARG A 247 -9.528 -15.407 -3.346 1.00 0.00 N ATOM 0 HA ARG A 247 -3.866 -14.610 2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 247 -4.811 -14.563 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 247 -4.533 -16.139 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 247 -6.915 -16.383 1.109 1.00 0.00 H new ATOM 0 HG3 ARG A 247 -7.237 -14.752 0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 247 -5.939 -15.837 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 247 -6.801 -17.229 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 247 -8.641 -15.071 -1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 247 -6.741 -17.017 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 247 -7.905 -16.829 -4.623 1.00 0.00 H new ATOM 0 HH21 ARG A 247 -10.124 -14.836 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 247 -9.808 -15.601 -4.307 1.00 0.00 H new ATOM 99 N TRP A 248 -4.693 -12.367 1.184 1.00 0.00 N ATOM 100 CA TRP A 248 -4.973 -10.949 1.107 1.00 0.00 C ATOM 101 C TRP A 248 -4.788 -10.348 -0.275 1.00 0.00 C ATOM 102 O TRP A 248 -4.368 -11.000 -1.228 1.00 0.00 O ATOM 103 CB TRP A 248 -4.042 -10.231 2.061 1.00 0.00 C ATOM 104 CG TRP A 248 -4.497 -10.213 3.475 1.00 0.00 C ATOM 105 CD1 TRP A 248 -3.980 -10.940 4.498 1.00 0.00 C ATOM 106 CD2 TRP A 248 -5.552 -9.427 4.019 1.00 0.00 C ATOM 107 NE1 TRP A 248 -4.617 -10.612 5.674 1.00 0.00 N ATOM 108 CE2 TRP A 248 -5.597 -9.686 5.398 1.00 0.00 C ATOM 109 CE3 TRP A 248 -6.452 -8.519 3.472 1.00 0.00 C ATOM 110 CZ2 TRP A 248 -6.514 -9.053 6.235 1.00 0.00 C ATOM 111 CZ3 TRP A 248 -7.366 -7.903 4.299 1.00 0.00 C ATOM 112 CH2 TRP A 248 -7.388 -8.168 5.670 1.00 0.00 C ATOM 0 H TRP A 248 -3.945 -12.689 0.570 1.00 0.00 H new ATOM 0 HA TRP A 248 -6.025 -10.825 1.364 1.00 0.00 H new ATOM 0 HB2 TRP A 248 -3.061 -10.704 2.015 1.00 0.00 H new ATOM 0 HB3 TRP A 248 -3.917 -9.203 1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 248 -3.187 -11.667 4.404 1.00 0.00 H new ATOM 0 HE1 TRP A 248 -4.399 -10.992 6.595 1.00 0.00 H new ATOM 0 HE3 TRP A 248 -6.435 -8.300 2.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 248 -6.533 -9.255 7.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 248 -8.076 -7.205 3.881 1.00 0.00 H new ATOM 0 HH2 TRP A 248 -8.110 -7.664 6.295 1.00 0.00 H new ATOM 123 N MET A 249 -5.093 -9.061 -0.311 1.00 0.00 N ATOM 124 CA MET A 249 -4.980 -8.211 -1.488 1.00 0.00 C ATOM 125 C MET A 249 -5.068 -6.770 -1.005 1.00 0.00 C ATOM 126 O MET A 249 -6.076 -6.086 -1.186 1.00 0.00 O ATOM 127 CB MET A 249 -6.091 -8.476 -2.480 1.00 0.00 C ATOM 128 CG MET A 249 -5.996 -9.822 -3.179 1.00 0.00 C ATOM 129 SD MET A 249 -7.175 -9.985 -4.534 1.00 0.00 S ATOM 130 CE MET A 249 -6.563 -8.741 -5.667 1.00 0.00 C ATOM 0 H MET A 249 -5.439 -8.560 0.508 1.00 0.00 H new ATOM 0 HA MET A 249 -4.038 -8.414 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 249 -7.048 -8.416 -1.961 1.00 0.00 H new ATOM 0 HB3 MET A 249 -6.086 -7.688 -3.233 1.00 0.00 H new ATOM 0 HG2 MET A 249 -4.985 -9.957 -3.564 1.00 0.00 H new ATOM 0 HG3 MET A 249 -6.170 -10.617 -2.454 1.00 0.00 H new ATOM 0 HE1 MET A 249 -6.879 -8.986 -6.681 1.00 0.00 H new ATOM 0 HE2 MET A 249 -6.963 -7.766 -5.388 1.00 0.00 H new ATOM 0 HE3 MET A 249 -5.474 -8.713 -5.623 1.00 0.00 H new ATOM 140 N VAL A 250 -4.020 -6.362 -0.328 1.00 0.00 N ATOM 141 CA VAL A 250 -3.932 -5.040 0.291 1.00 0.00 C ATOM 142 C VAL A 250 -4.488 -3.921 -0.576 1.00 0.00 C ATOM 143 O VAL A 250 -4.502 -4.006 -1.804 1.00 0.00 O ATOM 144 CB VAL A 250 -2.485 -4.689 0.679 1.00 0.00 C ATOM 145 CG1 VAL A 250 -2.410 -3.251 1.181 1.00 0.00 C ATOM 146 CG2 VAL A 250 -1.963 -5.659 1.729 1.00 0.00 C ATOM 0 H VAL A 250 -3.190 -6.938 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 250 -4.552 -5.112 1.184 1.00 0.00 H new ATOM 0 HB VAL A 250 -1.853 -4.778 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 250 -1.381 -3.014 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 250 -2.743 -2.573 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 250 -3.052 -3.137 2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 250 -0.938 -5.395 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 250 -2.590 -5.604 2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 250 -1.986 -6.673 1.331 1.00 0.00 H new ATOM 156 N GLN A 251 -4.923 -2.855 0.095 1.00 0.00 N ATOM 157 CA GLN A 251 -5.456 -1.691 -0.572 1.00 0.00 C ATOM 158 C GLN A 251 -5.200 -0.471 0.291 1.00 0.00 C ATOM 159 O GLN A 251 -6.088 0.012 0.991 1.00 0.00 O ATOM 160 CB GLN A 251 -6.942 -1.874 -0.820 1.00 0.00 C ATOM 161 CG GLN A 251 -7.525 -0.886 -1.818 1.00 0.00 C ATOM 162 CD GLN A 251 -8.160 0.315 -1.146 1.00 0.00 C ATOM 163 OE1 GLN A 251 -7.466 1.217 -0.680 1.00 0.00 O ATOM 164 NE2 GLN A 251 -9.486 0.332 -1.093 1.00 0.00 N ATOM 0 H GLN A 251 -4.912 -2.784 1.112 1.00 0.00 H new ATOM 0 HA GLN A 251 -4.966 -1.555 -1.536 1.00 0.00 H new ATOM 0 HB2 GLN A 251 -7.118 -2.887 -1.181 1.00 0.00 H new ATOM 0 HB3 GLN A 251 -7.473 -1.776 0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 251 -6.737 -0.547 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 251 -8.271 -1.392 -2.431 1.00 0.00 H new ATOM 0 HE21 GLN A 251 -10.022 -0.438 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 251 -9.969 1.115 -0.653 1.00 0.00 H new ATOM 173 N CYS A 252 -3.963 0.001 0.252 1.00 0.00 N ATOM 174 CA CYS A 252 -3.553 1.150 1.050 1.00 0.00 C ATOM 175 C CYS A 252 -4.179 2.438 0.527 1.00 0.00 C ATOM 176 O CYS A 252 -3.475 3.375 0.157 1.00 0.00 O ATOM 177 CB CYS A 252 -2.021 1.280 1.099 1.00 0.00 C ATOM 178 SG CYS A 252 -1.103 -0.196 0.577 1.00 0.00 S ATOM 0 H CYS A 252 -3.222 -0.395 -0.326 1.00 0.00 H new ATOM 0 HA CYS A 252 -3.913 0.983 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 252 -1.723 2.116 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 252 -1.726 1.530 2.118 1.00 0.00 H new ATOM 0 HG CYS A 252 -1.412 -0.487 -0.652 1.00 0.00 H new ATOM 184 N GLY A 253 -5.514 2.476 0.522 1.00 0.00 N ATOM 185 CA GLY A 253 -6.245 3.648 0.067 1.00 0.00 C ATOM 186 C GLY A 253 -5.572 4.388 -1.073 1.00 0.00 C ATOM 187 O GLY A 253 -4.754 3.827 -1.800 1.00 0.00 O ATOM 0 H GLY A 253 -6.106 1.704 0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 253 -7.242 3.342 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 253 -6.373 4.332 0.906 1.00 0.00 H new ATOM 191 N SER A 254 -5.919 5.659 -1.207 1.00 0.00 N ATOM 192 CA SER A 254 -5.356 6.517 -2.238 1.00 0.00 C ATOM 193 C SER A 254 -5.051 7.881 -1.634 1.00 0.00 C ATOM 194 O SER A 254 -5.901 8.474 -0.972 1.00 0.00 O ATOM 195 CB SER A 254 -6.329 6.654 -3.408 1.00 0.00 C ATOM 196 OG SER A 254 -7.658 6.385 -2.998 1.00 0.00 O ATOM 0 H SER A 254 -6.598 6.124 -0.605 1.00 0.00 H new ATOM 0 HA SER A 254 -4.435 6.075 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 254 -6.269 7.661 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 254 -6.044 5.967 -4.205 1.00 0.00 H new ATOM 0 HG SER A 254 -8.105 7.226 -2.766 1.00 0.00 H new ATOM 202 N PHE A 255 -3.827 8.360 -1.822 1.00 0.00 N ATOM 203 CA PHE A 255 -3.426 9.636 -1.239 1.00 0.00 C ATOM 204 C PHE A 255 -3.190 10.723 -2.279 1.00 0.00 C ATOM 205 O PHE A 255 -2.749 10.455 -3.397 1.00 0.00 O ATOM 206 CB PHE A 255 -2.150 9.449 -0.404 1.00 0.00 C ATOM 207 CG PHE A 255 -1.730 8.010 -0.258 1.00 0.00 C ATOM 208 CD1 PHE A 255 -2.537 7.122 0.432 1.00 0.00 C ATOM 209 CD2 PHE A 255 -0.542 7.539 -0.812 1.00 0.00 C ATOM 210 CE1 PHE A 255 -2.175 5.799 0.572 1.00 0.00 C ATOM 211 CE2 PHE A 255 -0.180 6.214 -0.672 1.00 0.00 C ATOM 212 CZ PHE A 255 -0.997 5.344 0.020 1.00 0.00 C ATOM 0 H PHE A 255 -3.103 7.892 -2.366 1.00 0.00 H new ATOM 0 HA PHE A 255 -4.254 9.965 -0.611 1.00 0.00 H new ATOM 0 HB2 PHE A 255 -1.338 10.011 -0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 255 -2.309 9.875 0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 255 -3.462 7.470 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 255 0.101 8.216 -1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 255 -2.815 5.119 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 255 0.743 5.858 -1.105 1.00 0.00 H new ATOM 0 HZ PHE A 255 -0.714 4.308 0.129 1.00 0.00 H new ATOM 222 N ARG A 256 -3.447 11.966 -1.868 1.00 0.00 N ATOM 223 CA ARG A 256 -3.222 13.122 -2.724 1.00 0.00 C ATOM 224 C ARG A 256 -1.725 13.366 -2.855 1.00 0.00 C ATOM 225 O ARG A 256 -1.279 14.162 -3.680 1.00 0.00 O ATOM 226 CB ARG A 256 -3.904 14.365 -2.143 1.00 0.00 C ATOM 227 CG ARG A 256 -4.631 15.201 -3.183 1.00 0.00 C ATOM 228 CD ARG A 256 -4.633 16.674 -2.810 1.00 0.00 C ATOM 229 NE ARG A 256 -3.279 17.201 -2.655 1.00 0.00 N ATOM 230 CZ ARG A 256 -3.004 18.482 -2.422 1.00 0.00 C ATOM 231 NH1 ARG A 256 -3.985 19.370 -2.316 1.00 0.00 N ATOM 232 NH2 ARG A 256 -1.745 18.877 -2.295 1.00 0.00 N ATOM 0 H ARG A 256 -3.812 12.194 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 256 -3.650 12.924 -3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 256 -4.614 14.055 -1.377 1.00 0.00 H new ATOM 0 HB3 ARG A 256 -3.154 14.984 -1.651 1.00 0.00 H new ATOM 0 HG2 ARG A 256 -4.154 15.071 -4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 256 -5.658 14.848 -3.282 1.00 0.00 H new ATOM 0 HD2 ARG A 256 -5.157 17.242 -3.579 1.00 0.00 H new ATOM 0 HD3 ARG A 256 -5.184 16.812 -1.880 1.00 0.00 H new ATOM 0 HE ARG A 256 -2.499 16.549 -2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 256 -4.956 19.072 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 256 -3.768 20.351 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 256 -0.987 18.199 -2.376 1.00 0.00 H new ATOM 0 HH22 ARG A 256 -1.534 19.859 -2.116 1.00 0.00 H new ATOM 246 N GLY A 257 -0.957 12.652 -2.032 1.00 0.00 N ATOM 247 CA GLY A 257 0.480 12.760 -2.048 1.00 0.00 C ATOM 248 C GLY A 257 1.062 12.164 -3.310 1.00 0.00 C ATOM 249 O GLY A 257 1.854 11.238 -3.249 1.00 0.00 O ATOM 0 H GLY A 257 -1.321 11.991 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 257 0.769 13.808 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 257 0.895 12.251 -1.178 1.00 0.00 H new ATOM 253 N ALA A 258 0.647 12.691 -4.458 1.00 0.00 N ATOM 254 CA ALA A 258 1.108 12.204 -5.760 1.00 0.00 C ATOM 255 C ALA A 258 2.579 11.815 -5.725 1.00 0.00 C ATOM 256 O ALA A 258 2.990 10.839 -6.353 1.00 0.00 O ATOM 257 CB ALA A 258 0.863 13.252 -6.834 1.00 0.00 C ATOM 0 H ALA A 258 -0.015 13.464 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 258 0.535 11.309 -6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 258 1.211 12.875 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 258 -0.203 13.469 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 258 1.406 14.163 -6.583 1.00 0.00 H new ATOM 263 N GLU A 259 3.362 12.571 -4.972 1.00 0.00 N ATOM 264 CA GLU A 259 4.784 12.288 -4.840 1.00 0.00 C ATOM 265 C GLU A 259 4.992 11.187 -3.812 1.00 0.00 C ATOM 266 O GLU A 259 5.775 10.260 -4.023 1.00 0.00 O ATOM 267 CB GLU A 259 5.551 13.548 -4.435 1.00 0.00 C ATOM 268 CG GLU A 259 5.192 14.771 -5.263 1.00 0.00 C ATOM 269 CD GLU A 259 5.401 16.069 -4.507 1.00 0.00 C ATOM 270 OE1 GLU A 259 6.566 16.397 -4.202 1.00 0.00 O ATOM 271 OE2 GLU A 259 4.398 16.757 -4.220 1.00 0.00 O ATOM 0 H GLU A 259 3.040 13.382 -4.444 1.00 0.00 H new ATOM 0 HA GLU A 259 5.168 11.955 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 259 5.355 13.761 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 259 6.620 13.358 -4.528 1.00 0.00 H new ATOM 0 HG2 GLU A 259 5.797 14.782 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 259 4.150 14.701 -5.576 1.00 0.00 H new ATOM 278 N GLN A 260 4.258 11.283 -2.711 1.00 0.00 N ATOM 279 CA GLN A 260 4.328 10.286 -1.656 1.00 0.00 C ATOM 280 C GLN A 260 3.658 8.994 -2.113 1.00 0.00 C ATOM 281 O GLN A 260 3.996 7.912 -1.641 1.00 0.00 O ATOM 282 CB GLN A 260 3.650 10.803 -0.387 1.00 0.00 C ATOM 283 CG GLN A 260 4.082 12.206 0.007 1.00 0.00 C ATOM 284 CD GLN A 260 5.224 12.205 1.004 1.00 0.00 C ATOM 285 OE1 GLN A 260 5.006 12.204 2.216 1.00 0.00 O ATOM 286 NE2 GLN A 260 6.452 12.207 0.498 1.00 0.00 N ATOM 0 H GLN A 260 3.606 12.045 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 260 5.377 10.086 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 260 2.570 10.792 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 260 3.868 10.121 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 260 4.384 12.753 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN A 260 3.232 12.738 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 260 6.587 12.208 -0.513 1.00 0.00 H new ATOM 0 HE22 GLN A 260 7.260 12.208 1.120 1.00 0.00 H new ATOM 295 N ALA A 261 2.714 9.126 -3.048 1.00 0.00 N ATOM 296 CA ALA A 261 1.996 7.986 -3.596 1.00 0.00 C ATOM 297 C ALA A 261 2.899 7.212 -4.545 1.00 0.00 C ATOM 298 O ALA A 261 3.061 5.999 -4.414 1.00 0.00 O ATOM 299 CB ALA A 261 0.735 8.453 -4.304 1.00 0.00 C ATOM 0 H ALA A 261 2.431 10.024 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 261 1.702 7.322 -2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 261 0.206 7.591 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 261 0.091 8.973 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 261 1.003 9.130 -5.115 1.00 0.00 H new ATOM 305 N GLU A 262 3.520 7.930 -5.481 1.00 0.00 N ATOM 306 CA GLU A 262 4.442 7.309 -6.421 1.00 0.00 C ATOM 307 C GLU A 262 5.627 6.766 -5.644 1.00 0.00 C ATOM 308 O GLU A 262 6.082 5.646 -5.876 1.00 0.00 O ATOM 309 CB GLU A 262 4.906 8.324 -7.471 1.00 0.00 C ATOM 310 CG GLU A 262 5.979 7.791 -8.407 1.00 0.00 C ATOM 311 CD GLU A 262 6.033 8.544 -9.722 1.00 0.00 C ATOM 312 OE1 GLU A 262 6.572 9.671 -9.738 1.00 0.00 O ATOM 313 OE2 GLU A 262 5.535 8.008 -10.734 1.00 0.00 O ATOM 0 H GLU A 262 3.400 8.935 -5.605 1.00 0.00 H new ATOM 0 HA GLU A 262 3.941 6.496 -6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 262 4.046 8.641 -8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 262 5.287 9.210 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 262 6.950 7.856 -7.915 1.00 0.00 H new ATOM 0 HG3 GLU A 262 5.792 6.736 -8.605 1.00 0.00 H new ATOM 320 N THR A 263 6.087 7.557 -4.680 1.00 0.00 N ATOM 321 CA THR A 263 7.179 7.142 -3.821 1.00 0.00 C ATOM 322 C THR A 263 6.688 6.016 -2.922 1.00 0.00 C ATOM 323 O THR A 263 7.461 5.161 -2.495 1.00 0.00 O ATOM 324 CB THR A 263 7.678 8.317 -2.978 1.00 0.00 C ATOM 325 OG1 THR A 263 8.094 9.388 -3.807 1.00 0.00 O ATOM 326 CG2 THR A 263 8.839 7.956 -2.077 1.00 0.00 C ATOM 0 H THR A 263 5.718 8.486 -4.478 1.00 0.00 H new ATOM 0 HA THR A 263 8.012 6.792 -4.431 1.00 0.00 H new ATOM 0 HB THR A 263 6.832 8.606 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 263 7.385 10.063 -3.849 1.00 0.00 H new ATOM 0 HG21 THR A 263 9.144 8.834 -1.507 1.00 0.00 H new ATOM 0 HG22 THR A 263 8.535 7.166 -1.391 1.00 0.00 H new ATOM 0 HG23 THR A 263 9.676 7.608 -2.683 1.00 0.00 H new ATOM 334 N VAL A 264 5.378 6.019 -2.663 1.00 0.00 N ATOM 335 CA VAL A 264 4.750 4.996 -1.843 1.00 0.00 C ATOM 336 C VAL A 264 4.951 3.628 -2.483 1.00 0.00 C ATOM 337 O VAL A 264 5.263 2.647 -1.808 1.00 0.00 O ATOM 338 CB VAL A 264 3.231 5.282 -1.650 1.00 0.00 C ATOM 339 CG1 VAL A 264 2.361 4.207 -2.294 1.00 0.00 C ATOM 340 CG2 VAL A 264 2.902 5.423 -0.172 1.00 0.00 C ATOM 0 H VAL A 264 4.733 6.726 -3.015 1.00 0.00 H new ATOM 0 HA VAL A 264 5.220 5.008 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 264 3.008 6.223 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 264 1.310 4.446 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 264 2.566 4.166 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 264 2.585 3.240 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 264 1.837 5.623 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 264 3.158 4.500 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 264 3.475 6.248 0.251 1.00 0.00 H new ATOM 350 N ARG A 265 4.778 3.582 -3.800 1.00 0.00 N ATOM 351 CA ARG A 265 4.942 2.351 -4.555 1.00 0.00 C ATOM 352 C ARG A 265 6.366 1.821 -4.404 1.00 0.00 C ATOM 353 O ARG A 265 6.574 0.676 -4.002 1.00 0.00 O ATOM 354 CB ARG A 265 4.601 2.599 -6.035 1.00 0.00 C ATOM 355 CG ARG A 265 5.340 1.692 -7.011 1.00 0.00 C ATOM 356 CD ARG A 265 4.490 1.371 -8.231 1.00 0.00 C ATOM 357 NE ARG A 265 5.262 0.702 -9.276 1.00 0.00 N ATOM 358 CZ ARG A 265 5.557 -0.596 -9.264 1.00 0.00 C ATOM 359 NH1 ARG A 265 5.155 -1.367 -8.260 1.00 0.00 N ATOM 360 NH2 ARG A 265 6.258 -1.125 -10.257 1.00 0.00 N ATOM 0 H ARG A 265 4.523 4.390 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 265 4.260 1.597 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.528 2.466 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 265 4.828 3.637 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 265 6.265 2.174 -7.328 1.00 0.00 H new ATOM 0 HG3 ARG A 265 5.620 0.766 -6.508 1.00 0.00 H new ATOM 0 HD2 ARG A 265 3.655 0.736 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 265 4.064 2.292 -8.629 1.00 0.00 H new ATOM 0 HE ARG A 265 5.594 1.263 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 265 4.617 -0.965 -7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 265 5.384 -2.361 -8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 265 6.571 -0.537 -11.030 1.00 0.00 H new ATOM 0 HH22 ARG A 265 6.484 -2.120 -10.248 1.00 0.00 H new ATOM 374 N ALA A 266 7.343 2.665 -4.719 1.00 0.00 N ATOM 375 CA ALA A 266 8.744 2.283 -4.608 1.00 0.00 C ATOM 376 C ALA A 266 9.134 2.096 -3.147 1.00 0.00 C ATOM 377 O ALA A 266 9.982 1.265 -2.821 1.00 0.00 O ATOM 378 CB ALA A 266 9.632 3.327 -5.268 1.00 0.00 C ATOM 0 H ALA A 266 7.190 3.617 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 266 8.885 1.333 -5.124 1.00 0.00 H new ATOM 0 HB1 ALA A 266 10.676 3.027 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 266 9.370 3.413 -6.323 1.00 0.00 H new ATOM 0 HB3 ALA A 266 9.487 4.290 -4.778 1.00 0.00 H new ATOM 384 N GLN A 267 8.503 2.870 -2.271 1.00 0.00 N ATOM 385 CA GLN A 267 8.775 2.787 -0.843 1.00 0.00 C ATOM 386 C GLN A 267 8.279 1.460 -0.285 1.00 0.00 C ATOM 387 O GLN A 267 9.009 0.761 0.414 1.00 0.00 O ATOM 388 CB GLN A 267 8.108 3.947 -0.102 1.00 0.00 C ATOM 389 CG GLN A 267 8.927 5.227 -0.114 1.00 0.00 C ATOM 390 CD GLN A 267 10.040 5.217 0.916 1.00 0.00 C ATOM 391 OE1 GLN A 267 11.012 4.473 0.789 1.00 0.00 O ATOM 392 NE2 GLN A 267 9.902 6.045 1.945 1.00 0.00 N ATOM 0 H GLN A 267 7.799 3.562 -2.526 1.00 0.00 H new ATOM 0 HA GLN A 267 9.853 2.851 -0.695 1.00 0.00 H new ATOM 0 HB2 GLN A 267 7.135 4.144 -0.553 1.00 0.00 H new ATOM 0 HB3 GLN A 267 7.927 3.651 0.931 1.00 0.00 H new ATOM 0 HG2 GLN A 267 9.356 5.370 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 267 8.270 6.076 0.075 1.00 0.00 H new ATOM 0 HE21 GLN A 267 9.079 6.645 2.010 1.00 0.00 H new ATOM 0 HE22 GLN A 267 10.619 6.081 2.670 1.00 0.00 H new ATOM 401 N LEU A 268 7.037 1.112 -0.609 1.00 0.00 N ATOM 402 CA LEU A 268 6.454 -0.142 -0.147 1.00 0.00 C ATOM 403 C LEU A 268 7.309 -1.317 -0.603 1.00 0.00 C ATOM 404 O LEU A 268 7.508 -2.270 0.141 1.00 0.00 O ATOM 405 CB LEU A 268 5.006 -0.287 -0.660 1.00 0.00 C ATOM 406 CG LEU A 268 3.909 0.253 0.277 1.00 0.00 C ATOM 407 CD1 LEU A 268 3.333 1.550 -0.263 1.00 0.00 C ATOM 408 CD2 LEU A 268 2.792 -0.773 0.475 1.00 0.00 C ATOM 0 H LEU A 268 6.417 1.679 -1.188 1.00 0.00 H new ATOM 0 HA LEU A 268 6.428 -0.136 0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 268 4.926 0.227 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 268 4.810 -1.343 -0.848 1.00 0.00 H new ATOM 0 HG LEU A 268 4.370 0.447 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 268 2.560 1.914 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 268 4.125 2.294 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 268 2.900 1.374 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 268 2.034 -0.361 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 268 2.340 -1.009 -0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 268 3.206 -1.681 0.913 1.00 0.00 H new ATOM 420 N ALA A 269 7.834 -1.236 -1.817 1.00 0.00 N ATOM 421 CA ALA A 269 8.683 -2.298 -2.344 1.00 0.00 C ATOM 422 C ALA A 269 10.116 -2.152 -1.848 1.00 0.00 C ATOM 423 O ALA A 269 10.870 -3.125 -1.808 1.00 0.00 O ATOM 424 CB ALA A 269 8.645 -2.304 -3.865 1.00 0.00 C ATOM 0 H ALA A 269 7.689 -0.452 -2.453 1.00 0.00 H new ATOM 0 HA ALA A 269 8.296 -3.250 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 269 9.284 -3.103 -4.242 1.00 0.00 H new ATOM 0 HB2 ALA A 269 7.622 -2.468 -4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 269 9.002 -1.345 -4.242 1.00 0.00 H new ATOM 430 N PHE A 270 10.488 -0.935 -1.470 1.00 0.00 N ATOM 431 CA PHE A 270 11.831 -0.669 -0.974 1.00 0.00 C ATOM 432 C PHE A 270 11.926 -0.957 0.521 1.00 0.00 C ATOM 433 O PHE A 270 13.001 -1.272 1.033 1.00 0.00 O ATOM 434 CB PHE A 270 12.217 0.788 -1.255 1.00 0.00 C ATOM 435 CG PHE A 270 13.516 1.207 -0.623 1.00 0.00 C ATOM 436 CD1 PHE A 270 13.597 1.426 0.743 1.00 0.00 C ATOM 437 CD2 PHE A 270 14.653 1.383 -1.394 1.00 0.00 C ATOM 438 CE1 PHE A 270 14.788 1.812 1.328 1.00 0.00 C ATOM 439 CE2 PHE A 270 15.847 1.769 -0.815 1.00 0.00 C ATOM 440 CZ PHE A 270 15.915 1.984 0.548 1.00 0.00 C ATOM 0 H PHE A 270 9.878 -0.118 -1.498 1.00 0.00 H new ATOM 0 HA PHE A 270 12.525 -1.329 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 270 12.285 0.934 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 270 11.422 1.440 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 270 12.719 1.293 1.358 1.00 0.00 H new ATOM 0 HD2 PHE A 270 14.606 1.217 -2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 270 14.838 1.979 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 270 16.726 1.902 -1.428 1.00 0.00 H new ATOM 0 HZ PHE A 270 16.847 2.286 1.003 1.00 0.00 H new ATOM 450 N GLU A 271 10.803 -0.838 1.222 1.00 0.00 N ATOM 451 CA GLU A 271 10.778 -1.076 2.659 1.00 0.00 C ATOM 452 C GLU A 271 10.634 -2.561 2.977 1.00 0.00 C ATOM 453 O GLU A 271 11.020 -3.010 4.056 1.00 0.00 O ATOM 454 CB GLU A 271 9.643 -0.284 3.305 1.00 0.00 C ATOM 455 CG GLU A 271 10.128 0.865 4.172 1.00 0.00 C ATOM 456 CD GLU A 271 9.749 2.222 3.610 1.00 0.00 C ATOM 457 OE1 GLU A 271 8.579 2.391 3.206 1.00 0.00 O ATOM 458 OE2 GLU A 271 10.622 3.115 3.573 1.00 0.00 O ATOM 0 H GLU A 271 9.902 -0.579 0.819 1.00 0.00 H new ATOM 0 HA GLU A 271 11.729 -0.738 3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 271 8.993 0.109 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 271 9.039 -0.958 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 271 9.710 0.761 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 271 11.212 0.807 4.272 1.00 0.00 H new ATOM 465 N GLY A 272 10.085 -3.322 2.035 1.00 0.00 N ATOM 466 CA GLY A 272 9.918 -4.749 2.253 1.00 0.00 C ATOM 467 C GLY A 272 8.514 -5.247 1.958 1.00 0.00 C ATOM 468 O GLY A 272 8.143 -6.341 2.381 1.00 0.00 O ATOM 0 H GLY A 272 9.755 -2.981 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 272 10.626 -5.290 1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 272 10.168 -4.982 3.288 1.00 0.00 H new ATOM 472 N PHE A 273 7.735 -4.461 1.221 1.00 0.00 N ATOM 473 CA PHE A 273 6.380 -4.859 0.867 1.00 0.00 C ATOM 474 C PHE A 273 5.989 -4.321 -0.506 1.00 0.00 C ATOM 475 O PHE A 273 5.248 -3.348 -0.623 1.00 0.00 O ATOM 476 CB PHE A 273 5.360 -4.456 1.951 1.00 0.00 C ATOM 477 CG PHE A 273 5.318 -2.999 2.383 1.00 0.00 C ATOM 478 CD1 PHE A 273 6.470 -2.235 2.598 1.00 0.00 C ATOM 479 CD2 PHE A 273 4.089 -2.408 2.631 1.00 0.00 C ATOM 480 CE1 PHE A 273 6.376 -0.918 3.039 1.00 0.00 C ATOM 481 CE2 PHE A 273 4.004 -1.106 3.075 1.00 0.00 C ATOM 482 CZ PHE A 273 5.145 -0.363 3.276 1.00 0.00 C ATOM 0 H PHE A 273 8.018 -3.550 0.860 1.00 0.00 H new ATOM 0 HA PHE A 273 6.364 -5.947 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 273 4.367 -4.727 1.593 1.00 0.00 H new ATOM 0 HB3 PHE A 273 5.556 -5.061 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 273 7.442 -2.671 2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 273 3.184 -2.976 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 273 7.271 -0.334 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 273 3.036 -0.666 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 273 5.071 0.658 3.621 1.00 0.00 H new ATOM 492 N ASP A 274 6.518 -4.973 -1.542 1.00 0.00 N ATOM 493 CA ASP A 274 6.269 -4.588 -2.931 1.00 0.00 C ATOM 494 C ASP A 274 4.783 -4.448 -3.242 1.00 0.00 C ATOM 495 O ASP A 274 4.131 -5.405 -3.653 1.00 0.00 O ATOM 496 CB ASP A 274 6.899 -5.609 -3.880 1.00 0.00 C ATOM 497 CG ASP A 274 8.409 -5.668 -3.748 1.00 0.00 C ATOM 498 OD1 ASP A 274 8.907 -5.627 -2.603 1.00 0.00 O ATOM 499 OD2 ASP A 274 9.093 -5.754 -4.789 1.00 0.00 O ATOM 0 H ASP A 274 7.131 -5.782 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 274 6.727 -3.610 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 274 6.481 -6.595 -3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 274 6.637 -5.356 -4.907 1.00 0.00 H new ATOM 504 N SER A 275 4.272 -3.237 -3.067 1.00 0.00 N ATOM 505 CA SER A 275 2.873 -2.929 -3.346 1.00 0.00 C ATOM 506 C SER A 275 2.706 -2.478 -4.790 1.00 0.00 C ATOM 507 O SER A 275 3.681 -2.272 -5.513 1.00 0.00 O ATOM 508 CB SER A 275 2.401 -1.817 -2.419 1.00 0.00 C ATOM 509 OG SER A 275 0.998 -1.639 -2.506 1.00 0.00 O ATOM 0 H SER A 275 4.813 -2.441 -2.729 1.00 0.00 H new ATOM 0 HA SER A 275 2.279 -3.828 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 275 2.677 -2.055 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 275 2.905 -0.886 -2.677 1.00 0.00 H new ATOM 0 HG SER A 275 0.616 -1.603 -1.604 1.00 0.00 H new ATOM 515 N LYS A 276 1.460 -2.314 -5.187 1.00 0.00 N ATOM 516 CA LYS A 276 1.120 -1.869 -6.537 1.00 0.00 C ATOM 517 C LYS A 276 0.115 -0.718 -6.484 1.00 0.00 C ATOM 518 O LYS A 276 -1.028 -0.901 -6.065 1.00 0.00 O ATOM 519 CB LYS A 276 0.543 -3.030 -7.351 1.00 0.00 C ATOM 520 CG LYS A 276 1.596 -4.010 -7.842 1.00 0.00 C ATOM 521 CD LYS A 276 1.108 -4.789 -9.053 1.00 0.00 C ATOM 522 CE LYS A 276 2.213 -5.647 -9.649 1.00 0.00 C ATOM 523 NZ LYS A 276 2.582 -5.203 -11.021 1.00 0.00 N ATOM 0 H LYS A 276 0.651 -2.483 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 276 2.031 -1.517 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -0.183 -3.566 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 276 0.004 -2.629 -8.209 1.00 0.00 H new ATOM 0 HG2 LYS A 276 2.507 -3.469 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 276 1.852 -4.703 -7.041 1.00 0.00 H new ATOM 0 HD2 LYS A 276 0.270 -5.423 -8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 276 0.738 -4.095 -9.808 1.00 0.00 H new ATOM 0 HE2 LYS A 276 3.092 -5.606 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 276 1.889 -6.687 -9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 3.338 -5.813 -11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 1.750 -5.266 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 2.916 -4.219 -10.989 1.00 0.00 H new ATOM 537 N ILE A 277 0.553 0.471 -6.893 1.00 0.00 N ATOM 538 CA ILE A 277 -0.295 1.652 -6.873 1.00 0.00 C ATOM 539 C ILE A 277 -1.064 1.838 -8.177 1.00 0.00 C ATOM 540 O ILE A 277 -0.729 1.253 -9.206 1.00 0.00 O ATOM 541 CB ILE A 277 0.541 2.912 -6.604 1.00 0.00 C ATOM 542 CG1 ILE A 277 1.553 3.134 -7.730 1.00 0.00 C ATOM 543 CG2 ILE A 277 1.247 2.803 -5.261 1.00 0.00 C ATOM 544 CD1 ILE A 277 2.259 4.470 -7.652 1.00 0.00 C ATOM 0 H ILE A 277 1.496 0.638 -7.243 1.00 0.00 H new ATOM 0 HA ILE A 277 -1.017 1.501 -6.070 1.00 0.00 H new ATOM 0 HB ILE A 277 -0.128 3.772 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 277 2.296 2.337 -7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 277 1.040 3.058 -8.689 1.00 0.00 H new ATOM 0 HG21 ILE A 277 1.835 3.704 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 277 0.507 2.693 -4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 277 1.906 1.935 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 277 2.961 4.559 -8.481 1.00 0.00 H new ATOM 0 HD12 ILE A 277 1.525 5.273 -7.710 1.00 0.00 H new ATOM 0 HD13 ILE A 277 2.800 4.541 -6.709 1.00 0.00 H new ATOM 556 N THR A 278 -2.097 2.672 -8.109 1.00 0.00 N ATOM 557 CA THR A 278 -2.942 2.976 -9.261 1.00 0.00 C ATOM 558 C THR A 278 -4.079 3.912 -8.855 1.00 0.00 C ATOM 559 O THR A 278 -4.863 3.598 -7.960 1.00 0.00 O ATOM 560 CB THR A 278 -3.516 1.692 -9.864 1.00 0.00 C ATOM 561 OG1 THR A 278 -3.562 0.659 -8.897 1.00 0.00 O ATOM 562 CG2 THR A 278 -2.726 1.180 -11.049 1.00 0.00 C ATOM 0 H THR A 278 -2.373 3.156 -7.255 1.00 0.00 H new ATOM 0 HA THR A 278 -2.326 3.470 -10.013 1.00 0.00 H new ATOM 0 HB THR A 278 -4.517 1.957 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 278 -3.933 -0.152 -9.302 1.00 0.00 H new ATOM 0 HG21 THR A 278 -3.188 0.268 -11.427 1.00 0.00 H new ATOM 0 HG22 THR A 278 -2.718 1.935 -11.835 1.00 0.00 H new ATOM 0 HG23 THR A 278 -1.703 0.967 -10.740 1.00 0.00 H new ATOM 570 N THR A 279 -4.162 5.063 -9.516 1.00 0.00 N ATOM 571 CA THR A 279 -5.202 6.046 -9.220 1.00 0.00 C ATOM 572 C THR A 279 -6.581 5.519 -9.611 1.00 0.00 C ATOM 573 O THR A 279 -6.706 4.721 -10.540 1.00 0.00 O ATOM 574 CB THR A 279 -4.919 7.355 -9.960 1.00 0.00 C ATOM 575 OG1 THR A 279 -3.536 7.484 -10.239 1.00 0.00 O ATOM 576 CG2 THR A 279 -5.348 8.583 -9.188 1.00 0.00 C ATOM 0 H THR A 279 -3.522 5.339 -10.261 1.00 0.00 H new ATOM 0 HA THR A 279 -5.195 6.231 -8.146 1.00 0.00 H new ATOM 0 HB THR A 279 -5.504 7.300 -10.878 1.00 0.00 H new ATOM 0 HG1 THR A 279 -3.375 8.326 -10.714 1.00 0.00 H new ATOM 0 HG21 THR A 279 -5.119 9.476 -9.769 1.00 0.00 H new ATOM 0 HG22 THR A 279 -6.421 8.538 -8.999 1.00 0.00 H new ATOM 0 HG23 THR A 279 -4.814 8.621 -8.239 1.00 0.00 H new ATOM 584 N ASN A 280 -7.616 5.971 -8.903 1.00 0.00 N ATOM 585 CA ASN A 280 -8.981 5.538 -9.195 1.00 0.00 C ATOM 586 C ASN A 280 -9.994 6.241 -8.301 1.00 0.00 C ATOM 587 O ASN A 280 -10.974 6.806 -8.786 1.00 0.00 O ATOM 588 CB ASN A 280 -9.105 4.021 -9.036 1.00 0.00 C ATOM 589 CG ASN A 280 -10.008 3.402 -10.085 1.00 0.00 C ATOM 590 OD1 ASN A 280 -10.642 4.107 -10.870 1.00 0.00 O ATOM 591 ND2 ASN A 280 -10.070 2.075 -10.102 1.00 0.00 N ATOM 0 H ASN A 280 -7.536 6.631 -8.130 1.00 0.00 H new ATOM 0 HA ASN A 280 -9.199 5.809 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 280 -8.115 3.569 -9.100 1.00 0.00 H new ATOM 0 HB3 ASN A 280 -9.495 3.793 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 280 -10.661 1.601 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 280 -9.527 1.530 -9.432 1.00 0.00 H new ATOM 598 N ASN A 281 -9.751 6.213 -6.997 1.00 0.00 N ATOM 599 CA ASN A 281 -10.644 6.860 -6.043 1.00 0.00 C ATOM 600 C ASN A 281 -10.379 8.363 -5.981 1.00 0.00 C ATOM 601 O ASN A 281 -10.864 9.050 -5.082 1.00 0.00 O ATOM 602 CB ASN A 281 -10.460 6.248 -4.657 1.00 0.00 C ATOM 603 CG ASN A 281 -11.498 5.186 -4.349 1.00 0.00 C ATOM 604 OD1 ASN A 281 -11.903 4.425 -5.227 1.00 0.00 O ATOM 605 ND2 ASN A 281 -11.934 5.131 -3.096 1.00 0.00 N ATOM 0 H ASN A 281 -8.945 5.751 -6.576 1.00 0.00 H new ATOM 0 HA ASN A 281 -11.670 6.702 -6.376 1.00 0.00 H new ATOM 0 HB2 ASN A 281 -9.464 5.810 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 281 -10.516 7.035 -3.905 1.00 0.00 H new ATOM 0 HD21 ASN A 281 -12.633 4.437 -2.829 1.00 0.00 H new ATOM 0 HD22 ASN A 281 -11.570 5.782 -2.400 1.00 0.00 H new ATOM 612 N GLY A 282 -9.597 8.863 -6.931 1.00 0.00 N ATOM 613 CA GLY A 282 -9.269 10.276 -6.957 1.00 0.00 C ATOM 614 C GLY A 282 -7.799 10.508 -6.687 1.00 0.00 C ATOM 615 O GLY A 282 -7.199 11.449 -7.208 1.00 0.00 O ATOM 0 H GLY A 282 -9.184 8.314 -7.685 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -9.532 10.694 -7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -9.865 10.803 -6.212 1.00 0.00 H new ATOM 619 N TRP A 283 -7.217 9.631 -5.876 1.00 0.00 N ATOM 620 CA TRP A 283 -5.814 9.707 -5.534 1.00 0.00 C ATOM 621 C TRP A 283 -5.128 8.396 -5.878 1.00 0.00 C ATOM 622 O TRP A 283 -5.778 7.403 -6.204 1.00 0.00 O ATOM 623 CB TRP A 283 -5.618 10.019 -4.046 1.00 0.00 C ATOM 624 CG TRP A 283 -6.883 10.219 -3.258 1.00 0.00 C ATOM 625 CD1 TRP A 283 -7.932 9.359 -3.158 1.00 0.00 C ATOM 626 CD2 TRP A 283 -7.212 11.343 -2.437 1.00 0.00 C ATOM 627 NE1 TRP A 283 -8.903 9.884 -2.340 1.00 0.00 N ATOM 628 CE2 TRP A 283 -8.482 11.103 -1.882 1.00 0.00 C ATOM 629 CE3 TRP A 283 -6.555 12.530 -2.124 1.00 0.00 C ATOM 630 CZ2 TRP A 283 -9.105 12.010 -1.028 1.00 0.00 C ATOM 631 CZ3 TRP A 283 -7.170 13.429 -1.277 1.00 0.00 C ATOM 632 CH2 TRP A 283 -8.434 13.166 -0.736 1.00 0.00 C ATOM 0 H TRP A 283 -7.710 8.851 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 283 -5.369 10.517 -6.112 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -5.052 9.205 -3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -5.009 10.918 -3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -7.993 8.400 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -9.792 9.438 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -5.580 12.743 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -10.081 11.808 -0.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.667 14.352 -1.027 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -8.888 13.890 -0.075 1.00 0.00 H new ATOM 643 N ASN A 284 -3.813 8.410 -5.805 1.00 0.00 N ATOM 644 CA ASN A 284 -3.013 7.228 -6.111 1.00 0.00 C ATOM 645 C ASN A 284 -3.376 6.064 -5.192 1.00 0.00 C ATOM 646 O ASN A 284 -2.822 5.926 -4.102 1.00 0.00 O ATOM 647 CB ASN A 284 -1.521 7.550 -5.988 1.00 0.00 C ATOM 648 CG ASN A 284 -0.767 7.299 -7.279 1.00 0.00 C ATOM 649 OD1 ASN A 284 -0.679 6.165 -7.750 1.00 0.00 O ATOM 650 ND2 ASN A 284 -0.216 8.360 -7.858 1.00 0.00 N ATOM 0 H ASN A 284 -3.267 9.229 -5.535 1.00 0.00 H new ATOM 0 HA ASN A 284 -3.230 6.932 -7.137 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -1.400 8.593 -5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -1.086 6.945 -5.193 1.00 0.00 H new ATOM 0 HD21 ASN A 284 0.305 8.253 -8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -0.314 9.282 -7.432 1.00 0.00 H new ATOM 657 N ARG A 285 -4.306 5.226 -5.643 1.00 0.00 N ATOM 658 CA ARG A 285 -4.739 4.071 -4.863 1.00 0.00 C ATOM 659 C ARG A 285 -3.632 3.029 -4.785 1.00 0.00 C ATOM 660 O ARG A 285 -3.012 2.693 -5.791 1.00 0.00 O ATOM 661 CB ARG A 285 -5.997 3.453 -5.477 1.00 0.00 C ATOM 662 CG ARG A 285 -6.977 2.917 -4.446 1.00 0.00 C ATOM 663 CD ARG A 285 -8.273 2.452 -5.094 1.00 0.00 C ATOM 664 NE ARG A 285 -8.600 1.073 -4.738 1.00 0.00 N ATOM 665 CZ ARG A 285 -8.053 0.007 -5.318 1.00 0.00 C ATOM 666 NH1 ARG A 285 -7.147 0.156 -6.276 1.00 0.00 N ATOM 667 NH2 ARG A 285 -8.411 -1.212 -4.938 1.00 0.00 N ATOM 0 H ARG A 285 -4.774 5.325 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 285 -4.969 4.410 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 285 -6.499 4.203 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 285 -5.705 2.642 -6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 285 -6.521 2.087 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 285 -7.194 3.693 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG A 285 -9.087 3.108 -4.787 1.00 0.00 H new ATOM 0 HD3 ARG A 285 -8.187 2.536 -6.177 1.00 0.00 H new ATOM 0 HE ARG A 285 -9.288 0.918 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 285 -6.866 1.091 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 285 -6.731 -0.664 -6.717 1.00 0.00 H new ATOM 0 HH21 ARG A 285 -9.106 -1.333 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 285 -7.992 -2.029 -5.383 1.00 0.00 H new ATOM 681 N VAL A 286 -3.382 2.522 -3.585 1.00 0.00 N ATOM 682 CA VAL A 286 -2.342 1.522 -3.389 1.00 0.00 C ATOM 683 C VAL A 286 -2.933 0.151 -3.099 1.00 0.00 C ATOM 684 O VAL A 286 -3.966 0.029 -2.444 1.00 0.00 O ATOM 685 CB VAL A 286 -1.401 1.894 -2.230 1.00 0.00 C ATOM 686 CG1 VAL A 286 -0.073 1.162 -2.345 1.00 0.00 C ATOM 687 CG2 VAL A 286 -1.182 3.396 -2.168 1.00 0.00 C ATOM 0 H VAL A 286 -3.883 2.786 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 286 -1.777 1.491 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 286 -1.879 1.581 -1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 286 0.571 1.445 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 286 -0.247 0.086 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 286 0.410 1.430 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 286 -0.513 3.632 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 286 -0.737 3.738 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 286 -2.138 3.897 -2.017 1.00 0.00 H new ATOM 697 N VAL A 287 -2.242 -0.868 -3.579 1.00 0.00 N ATOM 698 CA VAL A 287 -2.634 -2.259 -3.386 1.00 0.00 C ATOM 699 C VAL A 287 -1.441 -3.157 -3.653 1.00 0.00 C ATOM 700 O VAL A 287 -0.725 -2.955 -4.626 1.00 0.00 O ATOM 701 CB VAL A 287 -3.767 -2.704 -4.331 1.00 0.00 C ATOM 702 CG1 VAL A 287 -5.087 -2.033 -3.985 1.00 0.00 C ATOM 703 CG2 VAL A 287 -3.390 -2.438 -5.781 1.00 0.00 C ATOM 0 H VAL A 287 -1.384 -0.755 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 287 -2.991 -2.341 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 287 -3.903 -3.777 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 287 -5.860 -2.373 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 287 -5.371 -2.292 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 287 -4.978 -0.952 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 287 -4.202 -2.759 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 287 -3.212 -1.372 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 287 -2.485 -2.993 -6.029 1.00 0.00 H new ATOM 713 N ILE A 288 -1.236 -4.158 -2.814 1.00 0.00 N ATOM 714 CA ILE A 288 -0.119 -5.075 -3.012 1.00 0.00 C ATOM 715 C ILE A 288 -0.620 -6.389 -3.586 1.00 0.00 C ATOM 716 O ILE A 288 -1.732 -6.818 -3.277 1.00 0.00 O ATOM 717 CB ILE A 288 0.648 -5.374 -1.704 1.00 0.00 C ATOM 718 CG1 ILE A 288 0.670 -4.166 -0.765 1.00 0.00 C ATOM 719 CG2 ILE A 288 2.063 -5.841 -1.999 1.00 0.00 C ATOM 720 CD1 ILE A 288 1.200 -4.495 0.612 1.00 0.00 C ATOM 0 H ILE A 288 -1.817 -4.358 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 288 0.566 -4.584 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 288 0.113 -6.177 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 288 1.285 -3.381 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 288 -0.340 -3.766 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 288 2.582 -6.045 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 288 2.028 -6.750 -2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 288 2.596 -5.064 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 288 1.190 -3.597 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 288 0.572 -5.258 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 288 2.221 -4.867 0.529 1.00 0.00 H new ATOM 732 N GLY A 289 0.201 -7.034 -4.413 1.00 0.00 N ATOM 733 CA GLY A 289 -0.196 -8.304 -4.994 1.00 0.00 C ATOM 734 C GLY A 289 -0.832 -9.207 -3.958 1.00 0.00 C ATOM 735 O GLY A 289 -0.487 -9.122 -2.779 1.00 0.00 O ATOM 0 H GLY A 289 1.126 -6.703 -4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 289 -0.899 -8.130 -5.809 1.00 0.00 H new ATOM 0 HA3 GLY A 289 0.675 -8.798 -5.425 1.00 0.00 H new ATOM 739 N PRO A 290 -1.778 -10.074 -4.351 1.00 0.00 N ATOM 740 CA PRO A 290 -2.452 -10.968 -3.413 1.00 0.00 C ATOM 741 C PRO A 290 -1.490 -11.539 -2.374 1.00 0.00 C ATOM 742 O PRO A 290 -0.731 -12.468 -2.651 1.00 0.00 O ATOM 743 CB PRO A 290 -2.999 -12.062 -4.323 1.00 0.00 C ATOM 744 CG PRO A 290 -3.280 -11.368 -5.614 1.00 0.00 C ATOM 745 CD PRO A 290 -2.273 -10.247 -5.730 1.00 0.00 C ATOM 0 HA PRO A 290 -3.221 -10.465 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 290 -2.276 -12.867 -4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 290 -3.902 -12.509 -3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 290 -3.190 -12.058 -6.453 1.00 0.00 H new ATOM 0 HG3 PRO A 290 -4.298 -10.978 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 290 -1.465 -10.504 -6.416 1.00 0.00 H new ATOM 0 HD3 PRO A 290 -2.733 -9.334 -6.107 1.00 0.00 H new ATOM 753 N VAL A 291 -1.523 -10.955 -1.183 1.00 0.00 N ATOM 754 CA VAL A 291 -0.650 -11.371 -0.089 1.00 0.00 C ATOM 755 C VAL A 291 -1.291 -12.473 0.748 1.00 0.00 C ATOM 756 O VAL A 291 -2.355 -12.986 0.403 1.00 0.00 O ATOM 757 CB VAL A 291 -0.278 -10.178 0.823 1.00 0.00 C ATOM 758 CG1 VAL A 291 0.905 -9.416 0.244 1.00 0.00 C ATOM 759 CG2 VAL A 291 -1.468 -9.247 1.030 1.00 0.00 C ATOM 0 H VAL A 291 -2.150 -10.186 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 291 0.260 -11.761 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 291 0.006 -10.575 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 291 1.154 -8.580 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 291 1.764 -10.083 0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 291 0.646 -9.039 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 291 -1.174 -8.419 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 291 -1.797 -8.857 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 291 -2.284 -9.798 1.496 1.00 0.00 H new ATOM 769 N LYS A 292 -0.632 -12.846 1.844 1.00 0.00 N ATOM 770 CA LYS A 292 -1.141 -13.898 2.718 1.00 0.00 C ATOM 771 C LYS A 292 -1.449 -13.364 4.112 1.00 0.00 C ATOM 772 O LYS A 292 -0.737 -12.505 4.634 1.00 0.00 O ATOM 773 CB LYS A 292 -0.133 -15.045 2.811 1.00 0.00 C ATOM 774 CG LYS A 292 -0.186 -15.997 1.626 1.00 0.00 C ATOM 775 CD LYS A 292 1.167 -16.120 0.944 1.00 0.00 C ATOM 776 CE LYS A 292 1.062 -16.872 -0.373 1.00 0.00 C ATOM 777 NZ LYS A 292 1.073 -15.950 -1.542 1.00 0.00 N ATOM 0 H LYS A 292 0.252 -12.436 2.146 1.00 0.00 H new ATOM 0 HA LYS A 292 -2.070 -14.269 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 292 0.872 -14.630 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 292 -0.317 -15.607 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 292 -0.514 -16.980 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 292 -0.925 -15.643 0.907 1.00 0.00 H new ATOM 0 HD2 LYS A 292 1.577 -15.126 0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 292 1.863 -16.637 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 292 1.891 -17.574 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 292 0.144 -17.460 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 292 1.000 -16.502 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 292 0.267 -15.296 -1.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 292 1.960 -15.407 -1.548 1.00 0.00 H new ATOM 791 N GLY A 293 -2.519 -13.882 4.711 1.00 0.00 N ATOM 792 CA GLY A 293 -2.913 -13.454 6.040 1.00 0.00 C ATOM 793 C GLY A 293 -2.111 -14.133 7.129 1.00 0.00 C ATOM 794 O GLY A 293 -2.158 -15.355 7.275 1.00 0.00 O ATOM 0 H GLY A 293 -3.121 -14.593 4.296 1.00 0.00 H new ATOM 0 HA2 GLY A 293 -2.790 -12.374 6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 293 -3.972 -13.666 6.187 1.00 0.00 H new ATOM 798 N LYS A 294 -1.374 -13.338 7.896 1.00 0.00 N ATOM 799 CA LYS A 294 -0.554 -13.866 8.981 1.00 0.00 C ATOM 800 C LYS A 294 0.162 -12.742 9.720 1.00 0.00 C ATOM 801 O LYS A 294 0.106 -12.658 10.947 1.00 0.00 O ATOM 802 CB LYS A 294 0.472 -14.865 8.440 1.00 0.00 C ATOM 803 CG LYS A 294 1.159 -15.679 9.525 1.00 0.00 C ATOM 804 CD LYS A 294 1.456 -17.094 9.057 1.00 0.00 C ATOM 805 CE LYS A 294 2.004 -17.951 10.187 1.00 0.00 C ATOM 806 NZ LYS A 294 1.215 -17.789 11.439 1.00 0.00 N ATOM 0 H LYS A 294 -1.327 -12.325 7.787 1.00 0.00 H new ATOM 0 HA LYS A 294 -1.215 -14.377 9.681 1.00 0.00 H new ATOM 0 HB2 LYS A 294 -0.025 -15.544 7.747 1.00 0.00 H new ATOM 0 HB3 LYS A 294 1.227 -14.324 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 294 2.088 -15.189 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 294 0.526 -15.713 10.411 1.00 0.00 H new ATOM 0 HD2 LYS A 294 0.546 -17.547 8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 294 2.176 -17.064 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 294 1.995 -18.998 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 294 3.043 -17.682 10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 294 1.449 -18.558 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 294 1.445 -16.875 11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 294 0.200 -17.821 11.216 1.00 0.00 H new ATOM 820 N GLU A 295 0.839 -11.881 8.967 1.00 0.00 N ATOM 821 CA GLU A 295 1.569 -10.766 9.556 1.00 0.00 C ATOM 822 C GLU A 295 2.114 -9.824 8.485 1.00 0.00 C ATOM 823 O GLU A 295 2.241 -8.623 8.716 1.00 0.00 O ATOM 824 CB GLU A 295 2.715 -11.289 10.420 1.00 0.00 C ATOM 825 CG GLU A 295 3.093 -10.360 11.562 1.00 0.00 C ATOM 826 CD GLU A 295 1.940 -10.104 12.513 1.00 0.00 C ATOM 827 OE1 GLU A 295 1.094 -9.240 12.201 1.00 0.00 O ATOM 828 OE2 GLU A 295 1.883 -10.768 13.570 1.00 0.00 O ATOM 0 H GLU A 295 0.897 -11.934 7.950 1.00 0.00 H new ATOM 0 HA GLU A 295 0.872 -10.202 10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 295 2.435 -12.259 10.830 1.00 0.00 H new ATOM 0 HB3 GLU A 295 3.589 -11.450 9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 295 3.927 -10.792 12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 295 3.440 -9.411 11.153 1.00 0.00 H new ATOM 835 N ASN A 296 2.442 -10.370 7.319 1.00 0.00 N ATOM 836 CA ASN A 296 2.978 -9.568 6.225 1.00 0.00 C ATOM 837 C ASN A 296 2.007 -8.459 5.829 1.00 0.00 C ATOM 838 O ASN A 296 2.350 -7.278 5.871 1.00 0.00 O ATOM 839 CB ASN A 296 3.280 -10.454 5.015 1.00 0.00 C ATOM 840 CG ASN A 296 4.087 -11.683 5.385 1.00 0.00 C ATOM 841 OD1 ASN A 296 3.549 -12.657 5.911 1.00 0.00 O ATOM 842 ND2 ASN A 296 5.386 -11.643 5.112 1.00 0.00 N ATOM 0 H ASN A 296 2.346 -11.363 7.107 1.00 0.00 H new ATOM 0 HA ASN A 296 3.903 -9.106 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 296 2.343 -10.764 4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 296 3.827 -9.874 4.271 1.00 0.00 H new ATOM 0 HD21 ASN A 296 5.980 -12.441 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 296 5.790 -10.815 4.675 1.00 0.00 H new ATOM 849 N ALA A 297 0.795 -8.846 5.445 1.00 0.00 N ATOM 850 CA ALA A 297 -0.224 -7.881 5.043 1.00 0.00 C ATOM 851 C ALA A 297 -0.460 -6.847 6.138 1.00 0.00 C ATOM 852 O ALA A 297 -0.594 -5.657 5.859 1.00 0.00 O ATOM 853 CB ALA A 297 -1.522 -8.594 4.698 1.00 0.00 C ATOM 0 H ALA A 297 0.494 -9.820 5.403 1.00 0.00 H new ATOM 0 HA ALA A 297 0.135 -7.359 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 297 -2.272 -7.861 4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 297 -1.348 -9.289 3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 297 -1.878 -9.144 5.569 1.00 0.00 H new ATOM 859 N ASP A 298 -0.499 -7.303 7.387 1.00 0.00 N ATOM 860 CA ASP A 298 -0.706 -6.403 8.515 1.00 0.00 C ATOM 861 C ASP A 298 0.523 -5.529 8.717 1.00 0.00 C ATOM 862 O ASP A 298 0.411 -4.317 8.901 1.00 0.00 O ATOM 863 CB ASP A 298 -1.010 -7.199 9.787 1.00 0.00 C ATOM 864 CG ASP A 298 -2.392 -6.902 10.337 1.00 0.00 C ATOM 865 OD1 ASP A 298 -3.368 -7.508 9.847 1.00 0.00 O ATOM 866 OD2 ASP A 298 -2.497 -6.063 11.256 1.00 0.00 O ATOM 0 H ASP A 298 -0.391 -8.285 7.642 1.00 0.00 H new ATOM 0 HA ASP A 298 -1.561 -5.762 8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 298 -0.928 -8.265 9.574 1.00 0.00 H new ATOM 0 HB3 ASP A 298 -0.262 -6.967 10.545 1.00 0.00 H new ATOM 871 N SER A 299 1.700 -6.146 8.653 1.00 0.00 N ATOM 872 CA SER A 299 2.948 -5.411 8.801 1.00 0.00 C ATOM 873 C SER A 299 3.032 -4.347 7.718 1.00 0.00 C ATOM 874 O SER A 299 3.518 -3.241 7.950 1.00 0.00 O ATOM 875 CB SER A 299 4.145 -6.359 8.707 1.00 0.00 C ATOM 876 OG SER A 299 4.517 -6.842 9.987 1.00 0.00 O ATOM 0 H SER A 299 1.813 -7.148 8.500 1.00 0.00 H new ATOM 0 HA SER A 299 2.970 -4.935 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 299 3.898 -7.198 8.056 1.00 0.00 H new ATOM 0 HB3 SER A 299 4.989 -5.840 8.252 1.00 0.00 H new ATOM 0 HG SER A 299 5.283 -7.447 9.898 1.00 0.00 H new ATOM 882 N THR A 300 2.522 -4.691 6.536 1.00 0.00 N ATOM 883 CA THR A 300 2.501 -3.770 5.407 1.00 0.00 C ATOM 884 C THR A 300 1.892 -2.442 5.842 1.00 0.00 C ATOM 885 O THR A 300 2.353 -1.373 5.450 1.00 0.00 O ATOM 886 CB THR A 300 1.700 -4.388 4.253 1.00 0.00 C ATOM 887 OG1 THR A 300 2.569 -4.943 3.283 1.00 0.00 O ATOM 888 CG2 THR A 300 0.778 -3.418 3.538 1.00 0.00 C ATOM 0 H THR A 300 2.117 -5.606 6.338 1.00 0.00 H new ATOM 0 HA THR A 300 3.518 -3.587 5.061 1.00 0.00 H new ATOM 0 HB THR A 300 1.081 -5.150 4.727 1.00 0.00 H new ATOM 0 HG1 THR A 300 2.130 -5.702 2.846 1.00 0.00 H new ATOM 0 HG21 THR A 300 0.252 -3.939 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 300 0.054 -3.015 4.246 1.00 0.00 H new ATOM 0 HG23 THR A 300 1.365 -2.602 3.115 1.00 0.00 H new ATOM 896 N LEU A 301 0.858 -2.533 6.669 1.00 0.00 N ATOM 897 CA LEU A 301 0.179 -1.353 7.186 1.00 0.00 C ATOM 898 C LEU A 301 1.172 -0.454 7.907 1.00 0.00 C ATOM 899 O LEU A 301 1.414 0.682 7.499 1.00 0.00 O ATOM 900 CB LEU A 301 -0.935 -1.768 8.145 1.00 0.00 C ATOM 901 CG LEU A 301 -2.205 -0.917 8.070 1.00 0.00 C ATOM 902 CD1 LEU A 301 -2.910 -1.124 6.737 1.00 0.00 C ATOM 903 CD2 LEU A 301 -3.133 -1.247 9.232 1.00 0.00 C ATOM 0 H LEU A 301 0.470 -3.417 6.997 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.257 -0.804 6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -1.199 -2.806 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -0.550 -1.729 9.164 1.00 0.00 H new ATOM 0 HG LEU A 301 -1.924 0.134 8.144 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -3.810 -0.511 6.703 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -2.243 -0.836 5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -3.182 -2.174 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -4.032 -0.634 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -3.408 -2.301 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -2.624 -1.043 10.174 1.00 0.00 H new ATOM 915 N ASN A 302 1.759 -0.985 8.974 1.00 0.00 N ATOM 916 CA ASN A 302 2.747 -0.247 9.747 1.00 0.00 C ATOM 917 C ASN A 302 3.934 0.108 8.866 1.00 0.00 C ATOM 918 O ASN A 302 4.586 1.134 9.063 1.00 0.00 O ATOM 919 CB ASN A 302 3.209 -1.076 10.948 1.00 0.00 C ATOM 920 CG ASN A 302 2.365 -0.824 12.182 1.00 0.00 C ATOM 921 OD1 ASN A 302 2.886 -0.502 13.249 1.00 0.00 O ATOM 922 ND2 ASN A 302 1.053 -0.971 12.041 1.00 0.00 N ATOM 0 H ASN A 302 1.567 -1.924 9.322 1.00 0.00 H new ATOM 0 HA ASN A 302 2.292 0.672 10.115 1.00 0.00 H new ATOM 0 HB2 ASN A 302 3.168 -2.135 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 302 4.250 -0.842 11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 302 0.434 -0.816 12.837 1.00 0.00 H new ATOM 0 HD22 ASN A 302 0.664 -1.239 11.137 1.00 0.00 H new ATOM 929 N ARG A 303 4.198 -0.742 7.878 1.00 0.00 N ATOM 930 CA ARG A 303 5.291 -0.511 6.952 1.00 0.00 C ATOM 931 C ARG A 303 4.938 0.639 6.012 1.00 0.00 C ATOM 932 O ARG A 303 5.802 1.421 5.624 1.00 0.00 O ATOM 933 CB ARG A 303 5.606 -1.786 6.166 1.00 0.00 C ATOM 934 CG ARG A 303 7.094 -2.069 6.039 1.00 0.00 C ATOM 935 CD ARG A 303 7.383 -3.562 6.058 1.00 0.00 C ATOM 936 NE ARG A 303 7.636 -4.053 7.411 1.00 0.00 N ATOM 937 CZ ARG A 303 7.551 -5.334 7.763 1.00 0.00 C ATOM 938 NH1 ARG A 303 7.223 -6.256 6.867 1.00 0.00 N ATOM 939 NH2 ARG A 303 7.797 -5.694 9.015 1.00 0.00 N ATOM 0 H ARG A 303 3.668 -1.595 7.702 1.00 0.00 H new ATOM 0 HA ARG A 303 6.183 -0.237 7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 303 5.124 -2.633 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 303 5.173 -1.705 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 303 7.469 -1.637 5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 303 7.628 -1.584 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 303 6.538 -4.100 5.629 1.00 0.00 H new ATOM 0 HD3 ARG A 303 8.248 -3.772 5.428 1.00 0.00 H new ATOM 0 HE ARG A 303 7.893 -3.374 8.128 1.00 0.00 H new ATOM 0 HH11 ARG A 303 7.034 -5.985 5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 303 7.160 -7.236 7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 303 8.051 -4.990 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 303 7.732 -6.675 9.286 1.00 0.00 H new ATOM 953 N LEU A 304 3.653 0.756 5.673 1.00 0.00 N ATOM 954 CA LEU A 304 3.183 1.838 4.808 1.00 0.00 C ATOM 955 C LEU A 304 3.493 3.180 5.451 1.00 0.00 C ATOM 956 O LEU A 304 3.645 4.189 4.763 1.00 0.00 O ATOM 957 CB LEU A 304 1.697 1.677 4.514 1.00 0.00 C ATOM 958 CG LEU A 304 1.401 1.050 3.145 1.00 0.00 C ATOM 959 CD1 LEU A 304 0.509 -0.172 3.294 1.00 0.00 C ATOM 960 CD2 LEU A 304 0.782 2.061 2.189 1.00 0.00 C ATOM 0 H LEU A 304 2.921 0.117 5.983 1.00 0.00 H new ATOM 0 HA LEU A 304 3.707 1.794 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 304 1.247 1.059 5.291 1.00 0.00 H new ATOM 0 HB3 LEU A 304 1.218 2.655 4.567 1.00 0.00 H new ATOM 0 HG LEU A 304 2.351 0.731 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 304 0.312 -0.601 2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 304 1.008 -0.912 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 304 -0.433 0.120 3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 304 0.586 1.582 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 304 -0.154 2.432 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 304 1.470 2.894 2.045 1.00 0.00 H new ATOM 972 N LYS A 305 3.651 3.174 6.772 1.00 0.00 N ATOM 973 CA LYS A 305 4.019 4.382 7.488 1.00 0.00 C ATOM 974 C LYS A 305 5.468 4.724 7.142 1.00 0.00 C ATOM 975 O LYS A 305 5.892 5.876 7.230 1.00 0.00 O ATOM 976 CB LYS A 305 3.857 4.185 8.999 1.00 0.00 C ATOM 977 CG LYS A 305 2.771 5.055 9.611 1.00 0.00 C ATOM 978 CD LYS A 305 2.970 5.225 11.108 1.00 0.00 C ATOM 979 CE LYS A 305 1.644 5.412 11.828 1.00 0.00 C ATOM 980 NZ LYS A 305 1.264 6.848 11.926 1.00 0.00 N ATOM 0 H LYS A 305 3.530 2.350 7.361 1.00 0.00 H new ATOM 0 HA LYS A 305 3.364 5.202 7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 305 3.628 3.138 9.198 1.00 0.00 H new ATOM 0 HB3 LYS A 305 4.806 4.403 9.490 1.00 0.00 H new ATOM 0 HG2 LYS A 305 2.773 6.033 9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 305 1.795 4.608 9.421 1.00 0.00 H new ATOM 0 HD2 LYS A 305 3.483 4.351 11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 305 3.612 6.086 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 305 0.863 4.865 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 305 1.711 4.985 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 305 0.355 6.933 12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 305 1.996 7.366 12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 305 1.175 7.250 10.971 1.00 0.00 H new ATOM 994 N MET A 306 6.209 3.694 6.720 1.00 0.00 N ATOM 995 CA MET A 306 7.603 3.837 6.320 1.00 0.00 C ATOM 996 C MET A 306 7.691 4.578 4.994 1.00 0.00 C ATOM 997 O MET A 306 8.631 5.334 4.747 1.00 0.00 O ATOM 998 CB MET A 306 8.255 2.454 6.180 1.00 0.00 C ATOM 999 CG MET A 306 8.022 1.550 7.380 1.00 0.00 C ATOM 1000 SD MET A 306 9.269 1.765 8.665 1.00 0.00 S ATOM 1001 CE MET A 306 10.702 1.045 7.869 1.00 0.00 C ATOM 0 H MET A 306 5.855 2.740 6.648 1.00 0.00 H new ATOM 0 HA MET A 306 8.130 4.406 7.085 1.00 0.00 H new ATOM 0 HB2 MET A 306 7.866 1.966 5.286 1.00 0.00 H new ATOM 0 HB3 MET A 306 9.328 2.580 6.033 1.00 0.00 H new ATOM 0 HG2 MET A 306 7.036 1.755 7.798 1.00 0.00 H new ATOM 0 HG3 MET A 306 8.020 0.511 7.052 1.00 0.00 H new ATOM 0 HE1 MET A 306 11.426 0.744 8.626 1.00 0.00 H new ATOM 0 HE2 MET A 306 10.397 0.173 7.291 1.00 0.00 H new ATOM 0 HE3 MET A 306 11.157 1.780 7.204 1.00 0.00 H new ATOM 1011 N ALA A 307 6.699 4.343 4.145 1.00 0.00 N ATOM 1012 CA ALA A 307 6.640 4.969 2.835 1.00 0.00 C ATOM 1013 C ALA A 307 6.194 6.427 2.934 1.00 0.00 C ATOM 1014 O ALA A 307 6.510 7.241 2.066 1.00 0.00 O ATOM 1015 CB ALA A 307 5.705 4.179 1.931 1.00 0.00 C ATOM 0 H ALA A 307 5.919 3.717 4.345 1.00 0.00 H new ATOM 0 HA ALA A 307 7.641 4.964 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 307 5.663 4.651 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 307 6.075 3.159 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 307 4.706 4.160 2.368 1.00 0.00 H new ATOM 1021 N GLY A 308 5.455 6.752 3.993 1.00 0.00 N ATOM 1022 CA GLY A 308 4.980 8.111 4.175 1.00 0.00 C ATOM 1023 C GLY A 308 3.750 8.397 3.340 1.00 0.00 C ATOM 1024 O GLY A 308 3.836 9.045 2.298 1.00 0.00 O ATOM 0 H GLY A 308 5.178 6.099 4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 308 4.751 8.277 5.228 1.00 0.00 H new ATOM 0 HA3 GLY A 308 5.771 8.811 3.907 1.00 0.00 H new ATOM 1028 N HIS A 309 2.606 7.897 3.790 1.00 0.00 N ATOM 1029 CA HIS A 309 1.353 8.084 3.067 1.00 0.00 C ATOM 1030 C HIS A 309 0.185 8.315 4.026 1.00 0.00 C ATOM 1031 O HIS A 309 0.319 8.130 5.236 1.00 0.00 O ATOM 1032 CB HIS A 309 1.069 6.847 2.216 1.00 0.00 C ATOM 1033 CG HIS A 309 0.339 5.779 2.969 1.00 0.00 C ATOM 1034 ND1 HIS A 309 -1.007 5.865 3.248 1.00 0.00 N ATOM 1035 CD2 HIS A 309 0.769 4.627 3.545 1.00 0.00 C ATOM 1036 CE1 HIS A 309 -1.374 4.825 3.963 1.00 0.00 C ATOM 1037 NE2 HIS A 309 -0.323 4.057 4.158 1.00 0.00 N ATOM 0 H HIS A 309 2.519 7.359 4.652 1.00 0.00 H new ATOM 0 HA HIS A 309 1.455 8.965 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 309 0.481 7.138 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 309 2.011 6.444 1.844 1.00 0.00 H new ATOM 0 HD1 HIS A 309 -1.624 6.619 2.946 1.00 0.00 H new ATOM 0 HD2 HIS A 309 1.775 4.234 3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 309 -2.372 4.633 4.329 1.00 0.00 H new ATOM 1046 N THR A 310 -0.967 8.706 3.477 1.00 0.00 N ATOM 1047 CA THR A 310 -2.154 8.940 4.303 1.00 0.00 C ATOM 1048 C THR A 310 -3.369 8.121 3.832 1.00 0.00 C ATOM 1049 O THR A 310 -3.898 8.364 2.750 1.00 0.00 O ATOM 1050 CB THR A 310 -2.507 10.428 4.302 1.00 0.00 C ATOM 1051 OG1 THR A 310 -1.373 11.213 4.624 1.00 0.00 O ATOM 1052 CG2 THR A 310 -3.604 10.784 5.282 1.00 0.00 C ATOM 0 H THR A 310 -1.103 8.866 2.479 1.00 0.00 H new ATOM 0 HA THR A 310 -1.910 8.614 5.314 1.00 0.00 H new ATOM 0 HB THR A 310 -2.860 10.640 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 310 -1.619 12.162 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 310 -3.805 11.854 5.230 1.00 0.00 H new ATOM 0 HG22 THR A 310 -4.510 10.232 5.031 1.00 0.00 H new ATOM 0 HG23 THR A 310 -3.288 10.523 6.292 1.00 0.00 H new ATOM 1060 N ASN A 311 -3.817 7.173 4.679 1.00 0.00 N ATOM 1061 CA ASN A 311 -4.994 6.320 4.400 1.00 0.00 C ATOM 1062 C ASN A 311 -4.621 4.984 3.749 1.00 0.00 C ATOM 1063 O ASN A 311 -4.199 4.940 2.597 1.00 0.00 O ATOM 1064 CB ASN A 311 -6.022 7.049 3.526 1.00 0.00 C ATOM 1065 CG ASN A 311 -6.371 8.424 4.063 1.00 0.00 C ATOM 1066 OD1 ASN A 311 -5.708 8.939 4.964 1.00 0.00 O ATOM 1067 ND2 ASN A 311 -7.420 9.025 3.513 1.00 0.00 N ATOM 0 H ASN A 311 -3.374 6.976 5.576 1.00 0.00 H new ATOM 0 HA ASN A 311 -5.438 6.103 5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 311 -5.629 7.147 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 311 -6.929 6.448 3.459 1.00 0.00 H new ATOM 0 HD21 ASN A 311 -7.705 9.950 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 311 -7.941 8.561 2.769 1.00 0.00 H new ATOM 1074 N CYS A 312 -4.801 3.894 4.502 1.00 0.00 N ATOM 1075 CA CYS A 312 -4.502 2.541 4.009 1.00 0.00 C ATOM 1076 C CYS A 312 -5.415 1.502 4.657 1.00 0.00 C ATOM 1077 O CYS A 312 -5.953 1.729 5.739 1.00 0.00 O ATOM 1078 CB CYS A 312 -3.045 2.175 4.295 1.00 0.00 C ATOM 1079 SG CYS A 312 -2.498 2.578 5.971 1.00 0.00 S ATOM 0 H CYS A 312 -5.153 3.920 5.459 1.00 0.00 H new ATOM 0 HA CYS A 312 -4.675 2.541 2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.910 1.106 4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -2.405 2.693 3.581 1.00 0.00 H new ATOM 0 HG CYS A 312 -1.332 3.150 5.921 1.00 0.00 H new ATOM 1085 N ILE A 313 -5.576 0.353 3.994 1.00 0.00 N ATOM 1086 CA ILE A 313 -6.413 -0.719 4.519 1.00 0.00 C ATOM 1087 C ILE A 313 -6.147 -2.020 3.775 1.00 0.00 C ATOM 1088 O ILE A 313 -6.076 -2.040 2.547 1.00 0.00 O ATOM 1089 CB ILE A 313 -7.920 -0.385 4.433 1.00 0.00 C ATOM 1090 CG1 ILE A 313 -8.250 0.341 3.125 1.00 0.00 C ATOM 1091 CG2 ILE A 313 -8.347 0.451 5.631 1.00 0.00 C ATOM 1092 CD1 ILE A 313 -8.999 -0.520 2.132 1.00 0.00 C ATOM 0 H ILE A 313 -5.138 0.146 3.097 1.00 0.00 H new ATOM 0 HA ILE A 313 -6.150 -0.831 5.571 1.00 0.00 H new ATOM 0 HB ILE A 313 -8.476 -1.322 4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 313 -8.846 1.226 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 313 -7.324 0.688 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 313 -9.410 0.678 5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 313 -8.159 -0.106 6.549 1.00 0.00 H new ATOM 0 HG23 ILE A 313 -7.778 1.381 5.647 1.00 0.00 H new ATOM 0 HD11 ILE A 313 -9.200 0.057 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 313 -8.396 -1.392 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 313 -9.942 -0.846 2.572 1.00 0.00 H new ATOM 1104 N ARG A 314 -6.003 -3.105 4.525 1.00 0.00 N ATOM 1105 CA ARG A 314 -5.746 -4.408 3.928 1.00 0.00 C ATOM 1106 C ARG A 314 -7.032 -4.980 3.355 1.00 0.00 C ATOM 1107 O ARG A 314 -7.982 -5.249 4.088 1.00 0.00 O ATOM 1108 CB ARG A 314 -5.140 -5.380 4.957 1.00 0.00 C ATOM 1109 CG ARG A 314 -3.622 -5.508 4.849 1.00 0.00 C ATOM 1110 CD ARG A 314 -2.905 -4.219 5.249 1.00 0.00 C ATOM 1111 NE ARG A 314 -2.503 -4.234 6.660 1.00 0.00 N ATOM 1112 CZ ARG A 314 -3.313 -3.923 7.676 1.00 0.00 C ATOM 1113 NH1 ARG A 314 -4.545 -3.505 7.445 1.00 0.00 N ATOM 1114 NH2 ARG A 314 -2.877 -4.001 8.927 1.00 0.00 N ATOM 0 H ARG A 314 -6.060 -3.109 5.543 1.00 0.00 H new ATOM 0 HA ARG A 314 -5.023 -4.278 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 314 -5.398 -5.042 5.961 1.00 0.00 H new ATOM 0 HB3 ARG A 314 -5.591 -6.364 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 314 -3.281 -6.324 5.486 1.00 0.00 H new ATOM 0 HG3 ARG A 314 -3.353 -5.769 3.826 1.00 0.00 H new ATOM 0 HD2 ARG A 314 -2.024 -4.083 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 314 -3.560 -3.367 5.067 1.00 0.00 H new ATOM 0 HE ARG A 314 -1.543 -4.499 6.880 1.00 0.00 H new ATOM 0 HH11 ARG A 314 -4.883 -3.418 6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 314 -5.158 -3.269 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 314 -1.920 -4.299 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 314 -3.499 -3.763 9.700 1.00 0.00 H new ATOM 1128 N LEU A 315 -7.057 -5.159 2.039 1.00 0.00 N ATOM 1129 CA LEU A 315 -8.227 -5.706 1.371 1.00 0.00 C ATOM 1130 C LEU A 315 -8.047 -7.199 1.159 1.00 0.00 C ATOM 1131 O LEU A 315 -7.125 -7.633 0.470 1.00 0.00 O ATOM 1132 CB LEU A 315 -8.471 -5.018 0.033 1.00 0.00 C ATOM 1133 CG LEU A 315 -9.869 -4.414 -0.138 1.00 0.00 C ATOM 1134 CD1 LEU A 315 -9.781 -2.924 -0.427 1.00 0.00 C ATOM 1135 CD2 LEU A 315 -10.628 -5.129 -1.247 1.00 0.00 C ATOM 0 H LEU A 315 -6.281 -4.933 1.417 1.00 0.00 H new ATOM 0 HA LEU A 315 -9.095 -5.529 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 315 -7.732 -4.227 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 315 -8.303 -5.740 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 315 -10.415 -4.548 0.796 1.00 0.00 H new ATOM 0 HD11 LEU A 315 -10.785 -2.516 -0.545 1.00 0.00 H new ATOM 0 HD12 LEU A 315 -9.280 -2.422 0.401 1.00 0.00 H new ATOM 0 HD13 LEU A 315 -9.215 -2.764 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 315 -11.618 -4.687 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 315 -10.082 -5.028 -2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 315 -10.728 -6.185 -0.997 1.00 0.00 H new ATOM 1147 N ALA A 316 -8.918 -7.980 1.767 1.00 0.00 N ATOM 1148 CA ALA A 316 -8.840 -9.429 1.662 1.00 0.00 C ATOM 1149 C ALA A 316 -9.540 -9.945 0.413 1.00 0.00 C ATOM 1150 O ALA A 316 -10.647 -9.519 0.082 1.00 0.00 O ATOM 1151 CB ALA A 316 -9.416 -10.076 2.909 1.00 0.00 C ATOM 0 H ALA A 316 -9.689 -7.638 2.340 1.00 0.00 H new ATOM 0 HA ALA A 316 -7.788 -9.701 1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 316 -9.352 -11.160 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 316 -8.850 -9.751 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 316 -10.459 -9.782 3.022 1.00 0.00 H new ATOM 1157 N ALA A 317 -8.878 -10.867 -0.277 1.00 0.00 N ATOM 1158 CA ALA A 317 -9.417 -11.455 -1.494 1.00 0.00 C ATOM 1159 C ALA A 317 -10.677 -12.265 -1.205 1.00 0.00 C ATOM 1160 O ALA A 317 -10.837 -12.813 -0.115 1.00 0.00 O ATOM 1161 CB ALA A 317 -8.360 -12.327 -2.156 1.00 0.00 C ATOM 0 H ALA A 317 -7.961 -11.224 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 317 -9.692 -10.649 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 317 -8.768 -12.765 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 317 -7.490 -11.719 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 317 -8.064 -13.122 -1.472 1.00 0.00 H new