USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 602 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 299 LYS NZ :NH3+ -173:sc= 0.679 (180deg=0.485) USER MOD Set 1.2: A 353 GLN : amide:sc= -0.206 K(o=0.47,f=-0.26) USER MOD Set 2.1: A 310 SER OG : rot -167:sc= 0.998 USER MOD Set 2.2: A 346 SER OG : rot 180:sc= -0.0863 USER MOD Set 2.3: A 347 LYS NZ :NH3+ 151:sc= 0.262 (180deg=-1.41) USER MOD Set 3.1: A 290 CYS SG : rot 98:sc= 0.191 USER MOD Set 3.2: A 362 ASN : amide:sc= -0.189 K(o=0.0018,f=0.54) USER MOD Single : A 287 THR OG1 : rot 41:sc= 0.21 USER MOD Single : A 289 HIS : no HE2:sc= -5.2 K(o=-5.2,f=-8.5!) USER MOD Single : A 292 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-4.7!) USER MOD Single : A 293 MET CE :methyl -129:sc= -2.82 (180deg=-7.02!) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0.276 USER MOD Single : A 303 ASN : amide:sc= 1.17 K(o=1.2,f=-0.073) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.315 X(o=0.31,f=0) USER MOD Single : A 313 ASN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : A 318 HIS : no HE2:sc= 0.0277 K(o=0.028,f=-3.1!) USER MOD Single : A 328 THR OG1 : rot -39:sc= 0.563 USER MOD Single : A 337 THR OG1 : rot -75:sc= 1.13 USER MOD Single : A 338 HIS : no HE2:sc= 0.343 K(o=0.34,f=-1.3) USER MOD Single : A 345 MET CE :methyl 134:sc= -3! (180deg=-7.68!) USER MOD Single : A 351 ASN : amide:sc= 0.24 K(o=0.24,f=-2.9) USER MOD Single : A 352 MET CE :methyl 173:sc= 0 (180deg=-0.0531) USER MOD Single : A 354 HIS : no HE2:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0 USER MOD Single : A 365 THR OG1 : rot -151:sc= 0.825 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 287 -4.386 13.433 9.044 1.00 0.00 N ATOM 2 CA THR A 287 -4.342 12.875 7.673 1.00 0.00 C ATOM 3 C THR A 287 -3.706 13.859 6.704 1.00 0.00 C ATOM 4 O THR A 287 -4.344 14.829 6.294 1.00 0.00 O ATOM 5 CB THR A 287 -5.737 12.452 7.211 1.00 0.00 C ATOM 6 OG1 THR A 287 -6.238 11.559 8.177 1.00 0.00 O ATOM 7 CG2 THR A 287 -5.728 11.712 5.876 1.00 0.00 C ATOM 0 HA THR A 287 -3.717 11.982 7.689 1.00 0.00 H new ATOM 0 HB THR A 287 -6.338 13.353 7.089 1.00 0.00 H new ATOM 0 HG1 THR A 287 -6.009 11.884 9.073 1.00 0.00 H new ATOM 0 HG21 THR A 287 -6.748 11.439 5.604 1.00 0.00 H new ATOM 0 HG22 THR A 287 -5.307 12.357 5.105 1.00 0.00 H new ATOM 0 HG23 THR A 287 -5.123 10.810 5.964 1.00 0.00 H new ATOM 15 N GLY A 288 -2.448 13.613 6.324 1.00 0.00 N ATOM 16 CA GLY A 288 -1.681 14.434 5.379 1.00 0.00 C ATOM 17 C GLY A 288 -0.732 13.628 4.495 1.00 0.00 C ATOM 18 O GLY A 288 -0.712 13.821 3.276 1.00 0.00 O ATOM 0 H GLY A 288 -1.919 12.814 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 288 -2.375 14.985 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 288 -1.105 15.172 5.937 1.00 0.00 H new ATOM 22 N HIS A 289 0.023 12.698 5.085 1.00 0.00 N ATOM 23 CA HIS A 289 0.857 11.763 4.340 1.00 0.00 C ATOM 24 C HIS A 289 0.019 10.852 3.432 1.00 0.00 C ATOM 25 O HIS A 289 -1.068 10.435 3.837 1.00 0.00 O ATOM 26 CB HIS A 289 1.681 10.864 5.283 1.00 0.00 C ATOM 27 CG HIS A 289 2.985 10.599 4.604 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.009 11.506 4.457 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.256 9.545 3.779 1.00 0.00 C ATOM 30 CE1 HIS A 289 4.893 10.979 3.602 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.459 9.808 3.135 1.00 0.00 N ATOM 0 H HIS A 289 0.070 12.575 6.096 1.00 0.00 H new ATOM 0 HA HIS A 289 1.524 12.375 3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 289 1.839 11.355 6.243 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.154 9.931 5.484 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.081 12.414 4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.644 8.664 3.650 1.00 0.00 H new ATOM 0 HE1 HIS A 289 5.831 11.439 3.327 1.00 0.00 H new ATOM 39 N CYS A 290 0.573 10.397 2.300 1.00 0.00 N ATOM 40 CA CYS A 290 0.133 9.131 1.703 1.00 0.00 C ATOM 41 C CYS A 290 1.237 8.353 0.977 1.00 0.00 C ATOM 42 O CYS A 290 2.307 8.896 0.694 1.00 0.00 O ATOM 43 CB CYS A 290 -1.093 9.349 0.798 1.00 0.00 C ATOM 44 SG CYS A 290 -0.669 10.163 -0.771 1.00 0.00 S ATOM 0 H CYS A 290 1.313 10.877 1.788 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.153 8.495 2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.561 8.387 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.829 9.953 1.329 1.00 0.00 H new ATOM 0 HG CYS A 290 -0.540 9.267 -1.704 1.00 0.00 H new ATOM 50 N VAL A 291 0.983 7.084 0.643 1.00 0.00 N ATOM 51 CA VAL A 291 1.966 6.185 0.023 1.00 0.00 C ATOM 52 C VAL A 291 1.341 5.419 -1.116 1.00 0.00 C ATOM 53 O VAL A 291 0.315 4.758 -0.954 1.00 0.00 O ATOM 54 CB VAL A 291 2.570 5.188 1.018 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.804 4.497 0.436 1.00 0.00 C ATOM 56 CG2 VAL A 291 3.055 5.933 2.242 1.00 0.00 C ATOM 0 H VAL A 291 0.076 6.644 0.797 1.00 0.00 H new ATOM 0 HA VAL A 291 2.770 6.822 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 291 1.795 4.458 1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.208 3.797 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.526 3.957 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.559 5.245 0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.485 5.226 2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.813 6.660 1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 291 2.217 6.451 2.709 1.00 0.00 H new ATOM 66 N HIS A 292 1.992 5.532 -2.263 1.00 0.00 N ATOM 67 CA HIS A 292 1.551 5.021 -3.539 1.00 0.00 C ATOM 68 C HIS A 292 1.952 3.558 -3.730 1.00 0.00 C ATOM 69 O HIS A 292 2.992 3.110 -3.239 1.00 0.00 O ATOM 70 CB HIS A 292 2.135 5.946 -4.614 1.00 0.00 C ATOM 71 CG HIS A 292 1.717 5.576 -5.999 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.444 5.233 -6.386 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.542 5.417 -7.075 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.510 4.803 -7.654 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.763 4.937 -8.130 1.00 0.00 N ATOM 0 H HIS A 292 2.891 6.010 -2.325 1.00 0.00 H new ATOM 0 HA HIS A 292 0.463 5.021 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.825 6.971 -4.410 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.223 5.923 -4.552 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.398 5.294 -5.813 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.602 5.624 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.323 4.406 -8.214 1.00 0.00 H new ATOM 83 N MET A 293 1.093 2.819 -4.432 1.00 0.00 N ATOM 84 CA MET A 293 1.178 1.378 -4.635 1.00 0.00 C ATOM 85 C MET A 293 0.669 1.031 -6.022 1.00 0.00 C ATOM 86 O MET A 293 -0.444 1.431 -6.374 1.00 0.00 O ATOM 87 CB MET A 293 0.286 0.622 -3.648 1.00 0.00 C ATOM 88 CG MET A 293 0.256 1.218 -2.250 1.00 0.00 C ATOM 89 SD MET A 293 -0.904 0.319 -1.215 1.00 0.00 S ATOM 90 CE MET A 293 0.033 -1.194 -0.932 1.00 0.00 C ATOM 0 H MET A 293 0.283 3.230 -4.895 1.00 0.00 H new ATOM 0 HA MET A 293 2.221 1.094 -4.497 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.730 0.596 -4.041 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.629 -0.410 -3.583 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.252 1.180 -1.809 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.030 2.269 -2.301 1.00 0.00 H new ATOM 0 HE1 MET A 293 -0.590 -2.057 -1.165 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.916 -1.200 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 293 0.341 -1.241 0.112 1.00 0.00 H new ATOM 100 N ARG A 294 1.418 0.222 -6.776 1.00 0.00 N ATOM 101 CA ARG A 294 0.894 -0.378 -8.017 1.00 0.00 C ATOM 102 C ARG A 294 1.310 -1.832 -8.209 1.00 0.00 C ATOM 103 O ARG A 294 2.449 -2.206 -7.923 1.00 0.00 O ATOM 104 CB ARG A 294 1.310 0.445 -9.241 1.00 0.00 C ATOM 105 CG ARG A 294 0.980 1.936 -9.143 1.00 0.00 C ATOM 106 CD ARG A 294 1.104 2.656 -10.498 1.00 0.00 C ATOM 107 NE ARG A 294 2.240 2.170 -11.303 1.00 0.00 N ATOM 108 CZ ARG A 294 2.225 1.670 -12.524 1.00 0.00 C ATOM 109 NH1 ARG A 294 1.153 1.554 -13.254 1.00 0.00 N ATOM 110 NH2 ARG A 294 3.347 1.246 -13.018 1.00 0.00 N ATOM 0 H ARG A 294 2.381 -0.034 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.191 -0.366 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.384 0.332 -9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.820 0.034 -10.123 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.034 2.056 -8.762 1.00 0.00 H new ATOM 0 HG3 ARG A 294 1.649 2.407 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.181 2.520 -11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 294 1.218 3.726 -10.326 1.00 0.00 H new ATOM 0 HE ARG A 294 3.156 2.228 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 294 0.251 1.860 -12.888 1.00 0.00 H new ATOM 0 HH12 ARG A 294 1.215 1.157 -14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 294 4.202 1.305 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 294 3.374 0.853 -13.959 1.00 0.00 H new ATOM 124 N GLY A 295 0.374 -2.629 -8.718 1.00 0.00 N ATOM 125 CA GLY A 295 0.558 -4.035 -9.085 1.00 0.00 C ATOM 126 C GLY A 295 -0.170 -5.003 -8.148 1.00 0.00 C ATOM 127 O GLY A 295 0.130 -6.198 -8.166 1.00 0.00 O ATOM 0 H GLY A 295 -0.575 -2.301 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.201 -4.188 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 295 1.623 -4.268 -9.082 1.00 0.00 H new ATOM 131 N LEU A 296 -1.065 -4.497 -7.286 1.00 0.00 N ATOM 132 CA LEU A 296 -1.695 -5.281 -6.221 1.00 0.00 C ATOM 133 C LEU A 296 -2.461 -6.499 -6.773 1.00 0.00 C ATOM 134 O LEU A 296 -3.064 -6.412 -7.847 1.00 0.00 O ATOM 135 CB LEU A 296 -2.653 -4.423 -5.395 1.00 0.00 C ATOM 136 CG LEU A 296 -2.162 -3.121 -4.751 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.380 -2.460 -4.101 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.117 -3.370 -3.670 1.00 0.00 C ATOM 0 H LEU A 296 -1.372 -3.525 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.885 -5.638 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.495 -4.168 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.043 -5.052 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.700 -2.498 -5.517 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.078 -1.526 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.132 -2.254 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.799 -3.129 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -0.800 -2.418 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.546 -3.994 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.256 -3.877 -4.106 1.00 0.00 H new ATOM 150 N PRO A 297 -2.491 -7.625 -6.047 1.00 0.00 N ATOM 151 CA PRO A 297 -3.142 -8.846 -6.515 1.00 0.00 C ATOM 152 C PRO A 297 -4.672 -8.766 -6.398 1.00 0.00 C ATOM 153 O PRO A 297 -5.231 -7.910 -5.712 1.00 0.00 O ATOM 154 CB PRO A 297 -2.559 -9.953 -5.630 1.00 0.00 C ATOM 155 CG PRO A 297 -2.341 -9.220 -4.308 1.00 0.00 C ATOM 156 CD PRO A 297 -1.880 -7.837 -4.743 1.00 0.00 C ATOM 0 HA PRO A 297 -2.958 -9.026 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.245 -10.793 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.628 -10.351 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.257 -9.171 -3.720 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.592 -9.718 -3.691 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -2.196 -7.074 -4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.793 -7.785 -4.804 1.00 0.00 H new ATOM 164 N TYR A 298 -5.367 -9.731 -6.994 1.00 0.00 N ATOM 165 CA TYR A 298 -6.827 -9.902 -6.910 1.00 0.00 C ATOM 166 C TYR A 298 -7.399 -10.194 -5.505 1.00 0.00 C ATOM 167 O TYR A 298 -8.619 -10.206 -5.338 1.00 0.00 O ATOM 168 CB TYR A 298 -7.281 -10.940 -7.951 1.00 0.00 C ATOM 169 CG TYR A 298 -6.292 -12.066 -8.149 1.00 0.00 C ATOM 170 CD1 TYR A 298 -6.186 -13.087 -7.187 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.397 -12.009 -9.233 1.00 0.00 C ATOM 172 CE1 TYR A 298 -5.179 -14.064 -7.315 1.00 0.00 C ATOM 173 CE2 TYR A 298 -4.386 -12.982 -9.361 1.00 0.00 C ATOM 174 CZ TYR A 298 -4.275 -14.013 -8.400 1.00 0.00 C ATOM 175 OH TYR A 298 -3.293 -14.950 -8.504 1.00 0.00 O ATOM 0 H TYR A 298 -4.920 -10.444 -7.570 1.00 0.00 H new ATOM 0 HA TYR A 298 -7.253 -8.925 -7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -8.239 -11.358 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.445 -10.439 -8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -6.873 -13.122 -6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -5.485 -11.221 -9.966 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -5.098 -14.853 -6.582 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -3.697 -12.940 -10.192 1.00 0.00 H new ATOM 0 HH TYR A 298 -2.757 -14.775 -9.306 1.00 0.00 H new ATOM 185 N LYS A 299 -6.552 -10.359 -4.480 1.00 0.00 N ATOM 186 CA LYS A 299 -6.952 -10.411 -3.061 1.00 0.00 C ATOM 187 C LYS A 299 -6.668 -9.116 -2.281 1.00 0.00 C ATOM 188 O LYS A 299 -6.941 -9.068 -1.081 1.00 0.00 O ATOM 189 CB LYS A 299 -6.420 -11.696 -2.395 1.00 0.00 C ATOM 190 CG LYS A 299 -4.918 -11.973 -2.549 1.00 0.00 C ATOM 191 CD LYS A 299 -3.969 -11.007 -1.824 1.00 0.00 C ATOM 192 CE LYS A 299 -4.119 -11.039 -0.307 1.00 0.00 C ATOM 193 NZ LYS A 299 -3.003 -10.319 0.348 1.00 0.00 N ATOM 0 H LYS A 299 -5.546 -10.463 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 299 -8.040 -10.471 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.652 -11.650 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.968 -12.545 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.718 -12.983 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.675 -11.958 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -2.940 -11.255 -2.086 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -4.153 -9.993 -2.179 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -5.068 -10.585 -0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -4.143 -12.072 0.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -3.060 -10.454 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -2.097 -10.692 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -3.067 -9.305 0.127 1.00 0.00 H new ATOM 207 N ALA A 300 -6.138 -8.066 -2.923 1.00 0.00 N ATOM 208 CA ALA A 300 -5.924 -6.775 -2.303 1.00 0.00 C ATOM 209 C ALA A 300 -7.244 -6.134 -1.851 1.00 0.00 C ATOM 210 O ALA A 300 -8.219 -6.069 -2.601 1.00 0.00 O ATOM 211 CB ALA A 300 -5.204 -5.881 -3.297 1.00 0.00 C ATOM 0 H ALA A 300 -5.846 -8.102 -3.900 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.318 -6.905 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -5.033 -4.902 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.247 -6.330 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.814 -5.768 -4.193 1.00 0.00 H new ATOM 217 N THR A 301 -7.217 -5.608 -0.637 1.00 0.00 N ATOM 218 CA THR A 301 -8.205 -4.774 0.054 1.00 0.00 C ATOM 219 C THR A 301 -7.440 -3.713 0.803 1.00 0.00 C ATOM 220 O THR A 301 -6.285 -3.931 1.136 1.00 0.00 O ATOM 221 CB THR A 301 -9.029 -5.533 1.109 1.00 0.00 C ATOM 222 OG1 THR A 301 -9.319 -6.864 0.729 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.358 -4.856 1.350 1.00 0.00 C ATOM 0 H THR A 301 -6.409 -5.771 -0.036 1.00 0.00 H new ATOM 0 HA THR A 301 -8.892 -4.393 -0.702 1.00 0.00 H new ATOM 0 HB THR A 301 -8.409 -5.533 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.842 -7.299 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.920 -5.413 2.100 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.189 -3.839 1.705 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.925 -4.826 0.420 1.00 0.00 H new ATOM 231 N GLU A 302 -8.071 -2.599 1.143 1.00 0.00 N ATOM 232 CA GLU A 302 -7.421 -1.543 1.908 1.00 0.00 C ATOM 233 C GLU A 302 -6.718 -2.047 3.174 1.00 0.00 C ATOM 234 O GLU A 302 -5.564 -1.728 3.408 1.00 0.00 O ATOM 235 CB GLU A 302 -8.410 -0.452 2.262 1.00 0.00 C ATOM 236 CG GLU A 302 -9.792 -0.894 2.709 1.00 0.00 C ATOM 237 CD GLU A 302 -9.925 -1.492 4.111 1.00 0.00 C ATOM 238 OE1 GLU A 302 -9.740 -0.767 5.117 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.206 -2.710 4.195 1.00 0.00 O ATOM 0 H GLU A 302 -9.041 -2.401 0.899 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.644 -1.139 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.975 0.155 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.526 0.195 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.457 -0.032 2.647 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.157 -1.631 1.993 1.00 0.00 H new ATOM 246 N ASN A 303 -7.359 -2.893 3.977 1.00 0.00 N ATOM 247 CA ASN A 303 -6.734 -3.394 5.193 1.00 0.00 C ATOM 248 C ASN A 303 -5.681 -4.454 4.902 1.00 0.00 C ATOM 249 O ASN A 303 -4.623 -4.493 5.531 1.00 0.00 O ATOM 250 CB ASN A 303 -7.808 -3.864 6.168 1.00 0.00 C ATOM 251 CG ASN A 303 -8.406 -5.217 5.813 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.966 -6.262 6.274 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.397 -5.245 4.956 1.00 0.00 N ATOM 0 H ASN A 303 -8.302 -3.242 3.808 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.189 -2.579 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.379 -3.917 7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.605 -3.122 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.802 -6.138 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.764 -4.374 4.572 1.00 0.00 H new ATOM 260 N ASP A 304 -5.946 -5.251 3.872 1.00 0.00 N ATOM 261 CA ASP A 304 -5.008 -6.220 3.347 1.00 0.00 C ATOM 262 C ASP A 304 -3.672 -5.563 2.977 1.00 0.00 C ATOM 263 O ASP A 304 -2.611 -6.089 3.306 1.00 0.00 O ATOM 264 CB ASP A 304 -5.622 -6.934 2.155 1.00 0.00 C ATOM 265 CG ASP A 304 -4.655 -7.996 1.630 1.00 0.00 C ATOM 266 OD1 ASP A 304 -4.470 -9.029 2.315 1.00 0.00 O ATOM 267 OD2 ASP A 304 -4.052 -7.784 0.553 1.00 0.00 O ATOM 0 H ASP A 304 -6.836 -5.236 3.374 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.796 -6.955 4.123 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.564 -7.399 2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.850 -6.216 1.367 1.00 0.00 H new ATOM 272 N ILE A 305 -3.714 -4.371 2.376 1.00 0.00 N ATOM 273 CA ILE A 305 -2.505 -3.691 1.923 1.00 0.00 C ATOM 274 C ILE A 305 -1.733 -3.039 3.056 1.00 0.00 C ATOM 275 O ILE A 305 -0.537 -3.279 3.201 1.00 0.00 O ATOM 276 CB ILE A 305 -2.791 -2.679 0.804 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.882 -1.663 1.112 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.157 -3.503 -0.436 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.922 -0.467 0.191 1.00 0.00 C ATOM 0 H ILE A 305 -4.577 -3.858 2.193 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.868 -4.474 1.510 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.901 -2.066 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.848 -2.166 1.071 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.750 -1.310 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.372 -2.832 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.323 -4.153 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.037 -4.110 -0.223 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.732 0.197 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.974 0.068 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.089 -0.802 -0.833 1.00 0.00 H new ATOM 291 N TYR A 306 -2.374 -2.247 3.910 1.00 0.00 N ATOM 292 CA TYR A 306 -1.598 -1.503 4.895 1.00 0.00 C ATOM 293 C TYR A 306 -1.060 -2.402 6.008 1.00 0.00 C ATOM 294 O TYR A 306 -0.047 -2.078 6.627 1.00 0.00 O ATOM 295 CB TYR A 306 -2.380 -0.300 5.380 1.00 0.00 C ATOM 296 CG TYR A 306 -3.416 -0.601 6.431 1.00 0.00 C ATOM 297 CD1 TYR A 306 -2.977 -0.863 7.741 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.787 -0.514 6.128 1.00 0.00 C ATOM 299 CE1 TYR A 306 -3.922 -1.036 8.769 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.736 -0.664 7.160 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.303 -0.930 8.482 1.00 0.00 C ATOM 302 OH TYR A 306 -6.210 -1.086 9.484 1.00 0.00 O ATOM 0 H TYR A 306 -3.384 -2.107 3.943 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.701 -1.111 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.680 0.434 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.874 0.163 4.526 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -1.921 -0.931 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.110 -0.334 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.593 -1.249 9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.790 -0.576 6.943 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.116 -0.983 9.124 1.00 0.00 H new ATOM 312 N ASN A 307 -1.701 -3.556 6.211 1.00 0.00 N ATOM 313 CA ASN A 307 -1.180 -4.596 7.098 1.00 0.00 C ATOM 314 C ASN A 307 -0.194 -5.558 6.408 1.00 0.00 C ATOM 315 O ASN A 307 0.557 -6.234 7.114 1.00 0.00 O ATOM 316 CB ASN A 307 -2.327 -5.314 7.828 1.00 0.00 C ATOM 317 CG ASN A 307 -2.637 -6.712 7.317 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.437 -7.711 7.993 1.00 0.00 O ATOM 319 ND2 ASN A 307 -3.103 -6.831 6.102 1.00 0.00 N ATOM 0 H ASN A 307 -2.589 -3.793 5.768 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.575 -4.098 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.080 -5.377 8.888 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.227 -4.705 7.746 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -3.299 -7.756 5.719 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.271 -5.999 5.536 1.00 0.00 H new ATOM 326 N PHE A 308 -0.140 -5.605 5.064 1.00 0.00 N ATOM 327 CA PHE A 308 1.013 -6.216 4.398 1.00 0.00 C ATOM 328 C PHE A 308 2.222 -5.317 4.600 1.00 0.00 C ATOM 329 O PHE A 308 3.266 -5.845 4.982 1.00 0.00 O ATOM 330 CB PHE A 308 0.823 -6.490 2.885 1.00 0.00 C ATOM 331 CG PHE A 308 1.714 -5.687 1.936 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.101 -5.931 1.851 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.177 -4.623 1.195 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.918 -5.120 1.049 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.985 -3.830 0.383 1.00 0.00 C ATOM 336 CZ PHE A 308 3.350 -4.066 0.330 1.00 0.00 C ATOM 0 H PHE A 308 -0.858 -5.239 4.439 1.00 0.00 H new ATOM 0 HA PHE A 308 1.148 -7.196 4.856 1.00 0.00 H new ATOM 0 HB2 PHE A 308 0.998 -7.551 2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 308 -0.218 -6.291 2.629 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.537 -6.748 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.119 -4.415 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 308 4.979 -5.310 0.988 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.549 -3.034 -0.203 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.980 -3.429 -0.273 1.00 0.00 H new ATOM 346 N PHE A 309 2.051 -4.007 4.315 1.00 0.00 N ATOM 347 CA PHE A 309 3.110 -3.004 4.210 1.00 0.00 C ATOM 348 C PHE A 309 4.074 -3.244 5.375 1.00 0.00 C ATOM 349 O PHE A 309 5.148 -3.819 5.219 1.00 0.00 O ATOM 350 CB PHE A 309 2.506 -1.584 4.274 1.00 0.00 C ATOM 351 CG PHE A 309 2.459 -0.721 3.028 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.662 -0.188 2.541 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.241 -0.247 2.506 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.651 0.872 1.620 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.226 0.806 1.580 1.00 0.00 C ATOM 356 CZ PHE A 309 2.428 1.378 1.150 1.00 0.00 C ATOM 0 H PHE A 309 1.126 -3.612 4.146 1.00 0.00 H new ATOM 0 HA PHE A 309 3.638 -3.087 3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.483 -1.683 4.638 1.00 0.00 H new ATOM 0 HB3 PHE A 309 3.061 -1.030 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.604 -0.596 2.877 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.311 -0.697 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.581 1.297 1.274 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.286 1.176 1.199 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.416 2.207 0.458 1.00 0.00 H new ATOM 366 N SER A 310 3.582 -2.942 6.568 1.00 0.00 N ATOM 367 CA SER A 310 4.214 -3.259 7.858 1.00 0.00 C ATOM 368 C SER A 310 3.164 -3.282 8.984 1.00 0.00 C ATOM 369 O SER A 310 1.971 -3.156 8.695 1.00 0.00 O ATOM 370 CB SER A 310 5.362 -2.274 8.173 1.00 0.00 C ATOM 371 OG SER A 310 5.641 -1.345 7.136 1.00 0.00 O ATOM 0 H SER A 310 2.696 -2.449 6.677 1.00 0.00 H new ATOM 0 HA SER A 310 4.652 -4.255 7.789 1.00 0.00 H new ATOM 0 HB2 SER A 310 5.113 -1.723 9.080 1.00 0.00 H new ATOM 0 HB3 SER A 310 6.266 -2.845 8.385 1.00 0.00 H new ATOM 0 HG SER A 310 6.495 -0.900 7.317 1.00 0.00 H new ATOM 377 N PRO A 311 3.555 -3.424 10.268 1.00 0.00 N ATOM 378 CA PRO A 311 2.696 -3.210 11.445 1.00 0.00 C ATOM 379 C PRO A 311 2.056 -1.802 11.617 1.00 0.00 C ATOM 380 O PRO A 311 1.887 -1.316 12.740 1.00 0.00 O ATOM 381 CB PRO A 311 3.575 -3.589 12.646 1.00 0.00 C ATOM 382 CG PRO A 311 4.573 -4.586 12.070 1.00 0.00 C ATOM 383 CD PRO A 311 4.828 -4.002 10.687 1.00 0.00 C ATOM 0 HA PRO A 311 1.803 -3.825 11.333 1.00 0.00 H new ATOM 0 HB2 PRO A 311 4.078 -2.717 13.064 1.00 0.00 H new ATOM 0 HB3 PRO A 311 2.985 -4.032 13.448 1.00 0.00 H new ATOM 0 HG2 PRO A 311 5.485 -4.643 12.665 1.00 0.00 H new ATOM 0 HG3 PRO A 311 4.162 -5.594 12.019 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.611 -3.245 10.719 1.00 0.00 H new ATOM 0 HD3 PRO A 311 5.158 -4.773 9.990 1.00 0.00 H new ATOM 391 N LEU A 312 1.755 -1.105 10.519 1.00 0.00 N ATOM 392 CA LEU A 312 1.350 0.300 10.440 1.00 0.00 C ATOM 393 C LEU A 312 -0.134 0.532 10.745 1.00 0.00 C ATOM 394 O LEU A 312 -0.953 -0.388 10.727 1.00 0.00 O ATOM 395 CB LEU A 312 1.643 0.812 9.026 1.00 0.00 C ATOM 396 CG LEU A 312 3.039 0.514 8.467 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.223 1.353 7.228 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.224 0.857 9.359 1.00 0.00 C ATOM 0 H LEU A 312 1.790 -1.539 9.596 1.00 0.00 H new ATOM 0 HA LEU A 312 1.917 0.837 11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.905 0.383 8.348 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.495 1.892 9.016 1.00 0.00 H new ATOM 0 HG LEU A 312 3.050 -0.567 8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.209 1.164 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.458 1.094 6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.135 2.408 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.151 0.598 8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.217 1.925 9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.154 0.294 10.290 1.00 0.00 H new ATOM 410 N ASN A 313 -0.487 1.801 10.942 1.00 0.00 N ATOM 411 CA ASN A 313 -1.831 2.339 11.155 1.00 0.00 C ATOM 412 C ASN A 313 -2.029 3.650 10.341 1.00 0.00 C ATOM 413 O ASN A 313 -1.854 4.760 10.857 1.00 0.00 O ATOM 414 CB ASN A 313 -2.105 2.531 12.659 1.00 0.00 C ATOM 415 CG ASN A 313 -2.808 1.366 13.346 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.578 1.550 14.281 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.603 0.142 12.920 1.00 0.00 N ATOM 0 H ASN A 313 0.216 2.540 10.958 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.565 1.622 10.787 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.156 2.711 13.164 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.711 3.428 12.790 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -3.082 -0.640 13.366 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.965 -0.027 12.143 1.00 0.00 H new ATOM 424 N PRO A 314 -2.415 3.534 9.056 1.00 0.00 N ATOM 425 CA PRO A 314 -3.028 4.573 8.263 1.00 0.00 C ATOM 426 C PRO A 314 -4.170 5.203 9.026 1.00 0.00 C ATOM 427 O PRO A 314 -5.034 4.559 9.627 1.00 0.00 O ATOM 428 CB PRO A 314 -3.525 3.966 6.957 1.00 0.00 C ATOM 429 CG PRO A 314 -2.941 2.579 6.919 1.00 0.00 C ATOM 430 CD PRO A 314 -2.579 2.296 8.378 1.00 0.00 C ATOM 0 HA PRO A 314 -2.298 5.352 8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.614 3.936 6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -3.198 4.555 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.659 1.853 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.065 2.531 6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.362 1.706 8.854 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.661 1.711 8.433 1.00 0.00 H new ATOM 438 N VAL A 315 -4.150 6.511 8.928 1.00 0.00 N ATOM 439 CA VAL A 315 -5.191 7.422 9.372 1.00 0.00 C ATOM 440 C VAL A 315 -6.264 7.569 8.288 1.00 0.00 C ATOM 441 O VAL A 315 -7.322 8.153 8.535 1.00 0.00 O ATOM 442 CB VAL A 315 -4.509 8.726 9.807 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.505 8.325 10.905 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.738 9.443 8.689 1.00 0.00 C ATOM 0 H VAL A 315 -3.360 7.003 8.511 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.737 7.044 10.237 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.280 9.425 10.132 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -2.982 9.212 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.039 7.861 11.734 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -2.783 7.617 10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.288 10.354 9.084 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -2.955 8.787 8.308 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.423 9.698 7.880 1.00 0.00 H new ATOM 454 N ARG A 316 -6.014 6.958 7.117 1.00 0.00 N ATOM 455 CA ARG A 316 -6.955 6.727 6.019 1.00 0.00 C ATOM 456 C ARG A 316 -6.423 5.669 5.023 1.00 0.00 C ATOM 457 O ARG A 316 -5.225 5.410 4.974 1.00 0.00 O ATOM 458 CB ARG A 316 -7.142 8.081 5.310 1.00 0.00 C ATOM 459 CG ARG A 316 -8.550 8.696 5.401 1.00 0.00 C ATOM 460 CD ARG A 316 -9.485 8.248 4.268 1.00 0.00 C ATOM 461 NE ARG A 316 -8.927 8.590 2.943 1.00 0.00 N ATOM 462 CZ ARG A 316 -9.458 8.351 1.763 1.00 0.00 C ATOM 463 NH1 ARG A 316 -10.676 7.909 1.613 1.00 0.00 N ATOM 464 NH2 ARG A 316 -8.745 8.559 0.699 1.00 0.00 N ATOM 0 H ARG A 316 -5.087 6.590 6.903 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.898 6.342 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -6.428 8.791 5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.888 7.957 4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -8.996 8.425 6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -8.466 9.783 5.384 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -9.645 7.172 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -10.459 8.723 4.388 1.00 0.00 H new ATOM 0 HE ARG A 316 -8.025 9.067 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -11.260 7.734 2.431 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -11.045 7.738 0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -7.788 8.903 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -9.141 8.379 -0.224 1.00 0.00 H new ATOM 478 N VAL A 317 -7.263 5.133 4.138 1.00 0.00 N ATOM 479 CA VAL A 317 -6.832 4.374 2.935 1.00 0.00 C ATOM 480 C VAL A 317 -7.750 4.748 1.771 1.00 0.00 C ATOM 481 O VAL A 317 -8.932 5.031 1.978 1.00 0.00 O ATOM 482 CB VAL A 317 -6.880 2.827 3.116 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.979 2.091 2.101 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.494 2.285 4.495 1.00 0.00 C ATOM 0 H VAL A 317 -8.277 5.207 4.225 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.792 4.642 2.750 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.940 2.629 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -6.046 1.016 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.308 2.323 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.946 2.414 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.568 1.197 4.492 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.471 2.579 4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.169 2.692 5.248 1.00 0.00 H new ATOM 494 N HIS A 318 -7.242 4.656 0.545 1.00 0.00 N ATOM 495 CA HIS A 318 -8.060 4.462 -0.649 1.00 0.00 C ATOM 496 C HIS A 318 -7.539 3.234 -1.399 1.00 0.00 C ATOM 497 O HIS A 318 -6.334 3.005 -1.507 1.00 0.00 O ATOM 498 CB HIS A 318 -8.130 5.748 -1.491 1.00 0.00 C ATOM 499 CG HIS A 318 -7.446 5.724 -2.833 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.025 5.534 -4.066 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.132 6.010 -3.053 1.00 0.00 C ATOM 502 CE1 HIS A 318 -7.073 5.675 -5.005 1.00 0.00 C ATOM 503 NE2 HIS A 318 -5.893 5.963 -4.433 1.00 0.00 N ATOM 0 H HIS A 318 -6.242 4.714 0.351 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.098 4.260 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.180 5.992 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -7.699 6.560 -0.906 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -9.008 5.322 -4.238 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.399 6.235 -2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.235 5.571 -6.068 1.00 0.00 H new ATOM 511 N ILE A 319 -8.468 2.420 -1.881 1.00 0.00 N ATOM 512 CA ILE A 319 -8.225 1.130 -2.522 1.00 0.00 C ATOM 513 C ILE A 319 -9.082 1.115 -3.792 1.00 0.00 C ATOM 514 O ILE A 319 -10.299 1.298 -3.755 1.00 0.00 O ATOM 515 CB ILE A 319 -8.539 -0.025 -1.552 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.224 -1.409 -2.137 1.00 0.00 C ATOM 517 CG2 ILE A 319 -10.008 -0.048 -1.112 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.758 -1.621 -2.516 1.00 0.00 C ATOM 0 H ILE A 319 -9.461 2.650 -1.835 1.00 0.00 H new ATOM 0 HA ILE A 319 -7.178 0.991 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.891 0.172 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.512 -2.170 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -8.841 -1.564 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.170 -0.882 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.251 0.887 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.648 -0.165 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.628 -2.625 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.467 -0.887 -3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.133 -1.502 -1.631 1.00 0.00 H new ATOM 530 N GLU A 320 -8.426 1.014 -4.937 1.00 0.00 N ATOM 531 CA GLU A 320 -9.081 1.272 -6.233 1.00 0.00 C ATOM 532 C GLU A 320 -8.484 0.498 -7.408 1.00 0.00 C ATOM 533 O GLU A 320 -7.275 0.562 -7.642 1.00 0.00 O ATOM 534 CB GLU A 320 -9.049 2.789 -6.521 1.00 0.00 C ATOM 535 CG GLU A 320 -10.452 3.408 -6.481 1.00 0.00 C ATOM 536 CD GLU A 320 -10.379 4.935 -6.326 1.00 0.00 C ATOM 537 OE1 GLU A 320 -10.091 5.644 -7.320 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.584 5.433 -5.192 1.00 0.00 O ATOM 0 H GLU A 320 -7.442 0.756 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 320 -10.106 0.912 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.412 3.284 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -8.603 2.963 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -10.989 3.158 -7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -11.017 2.982 -5.652 1.00 0.00 H new ATOM 545 N ILE A 321 -9.375 -0.197 -8.143 1.00 0.00 N ATOM 546 CA ILE A 321 -9.187 -0.814 -9.472 1.00 0.00 C ATOM 547 C ILE A 321 -10.446 -1.520 -9.995 1.00 0.00 C ATOM 548 O ILE A 321 -11.503 -1.396 -9.379 1.00 0.00 O ATOM 549 CB ILE A 321 -7.900 -1.677 -9.544 1.00 0.00 C ATOM 550 CG1 ILE A 321 -7.085 -1.044 -10.685 1.00 0.00 C ATOM 551 CG2 ILE A 321 -8.047 -3.209 -9.659 1.00 0.00 C ATOM 552 CD1 ILE A 321 -5.669 -1.549 -10.844 1.00 0.00 C ATOM 0 H ILE A 321 -10.321 -0.354 -7.795 1.00 0.00 H new ATOM 0 HA ILE A 321 -9.026 0.005 -10.173 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.402 -1.646 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -7.617 -1.211 -11.622 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -7.050 0.034 -10.526 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -7.059 -3.667 -9.699 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -8.588 -3.589 -8.792 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -8.598 -3.455 -10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -5.190 -1.034 -11.677 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -5.109 -1.357 -9.929 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -5.685 -2.621 -11.041 1.00 0.00 H new ATOM 564 N GLY A 322 -10.307 -2.260 -11.107 1.00 0.00 N ATOM 565 CA GLY A 322 -11.342 -2.906 -11.924 1.00 0.00 C ATOM 566 C GLY A 322 -12.724 -3.052 -11.271 1.00 0.00 C ATOM 567 O GLY A 322 -13.614 -2.237 -11.542 1.00 0.00 O ATOM 0 H GLY A 322 -9.379 -2.436 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.457 -2.336 -12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -10.988 -3.898 -12.204 1.00 0.00 H new ATOM 571 N PRO A 323 -12.900 -4.054 -10.392 1.00 0.00 N ATOM 572 CA PRO A 323 -14.110 -4.223 -9.594 1.00 0.00 C ATOM 573 C PRO A 323 -14.156 -3.282 -8.375 1.00 0.00 C ATOM 574 O PRO A 323 -15.138 -2.568 -8.170 1.00 0.00 O ATOM 575 CB PRO A 323 -14.084 -5.701 -9.177 1.00 0.00 C ATOM 576 CG PRO A 323 -12.600 -6.050 -9.140 1.00 0.00 C ATOM 577 CD PRO A 323 -12.002 -5.184 -10.234 1.00 0.00 C ATOM 0 HA PRO A 323 -15.005 -3.965 -10.160 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.553 -5.849 -8.204 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -14.623 -6.326 -9.889 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.160 -5.828 -8.168 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -12.433 -7.110 -9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.000 -4.850 -9.963 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -11.911 -5.742 -11.166 1.00 0.00 H new ATOM 585 N ASP A 324 -13.095 -3.306 -7.558 1.00 0.00 N ATOM 586 CA ASP A 324 -12.984 -2.666 -6.234 1.00 0.00 C ATOM 587 C ASP A 324 -11.516 -2.630 -5.713 1.00 0.00 C ATOM 588 O ASP A 324 -11.272 -2.472 -4.518 1.00 0.00 O ATOM 589 CB ASP A 324 -13.935 -3.440 -5.288 1.00 0.00 C ATOM 590 CG ASP A 324 -14.068 -2.878 -3.863 1.00 0.00 C ATOM 591 OD1 ASP A 324 -14.379 -1.674 -3.700 1.00 0.00 O ATOM 592 OD2 ASP A 324 -13.923 -3.682 -2.908 1.00 0.00 O ATOM 0 H ASP A 324 -12.240 -3.800 -7.815 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.275 -1.617 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -14.926 -3.466 -5.742 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -13.589 -4.471 -5.220 1.00 0.00 H new ATOM 597 N GLY A 325 -10.522 -2.864 -6.590 1.00 0.00 N ATOM 598 CA GLY A 325 -9.095 -3.040 -6.243 1.00 0.00 C ATOM 599 C GLY A 325 -8.502 -4.406 -6.572 1.00 0.00 C ATOM 600 O GLY A 325 -7.340 -4.659 -6.265 1.00 0.00 O ATOM 0 H GLY A 325 -10.693 -2.939 -7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -8.516 -2.277 -6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -8.974 -2.859 -5.175 1.00 0.00 H new ATOM 604 N ARG A 326 -9.289 -5.303 -7.180 1.00 0.00 N ATOM 605 CA ARG A 326 -9.098 -6.759 -7.067 1.00 0.00 C ATOM 606 C ARG A 326 -8.701 -7.382 -8.410 1.00 0.00 C ATOM 607 O ARG A 326 -9.215 -8.427 -8.804 1.00 0.00 O ATOM 608 CB ARG A 326 -10.323 -7.448 -6.413 1.00 0.00 C ATOM 609 CG ARG A 326 -10.581 -7.160 -4.924 1.00 0.00 C ATOM 610 CD ARG A 326 -10.924 -5.704 -4.602 1.00 0.00 C ATOM 611 NE ARG A 326 -11.808 -5.521 -3.430 1.00 0.00 N ATOM 612 CZ ARG A 326 -11.722 -5.977 -2.197 1.00 0.00 C ATOM 613 NH1 ARG A 326 -10.745 -6.719 -1.773 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.654 -5.644 -1.358 1.00 0.00 N ATOM 0 H ARG A 326 -10.080 -5.040 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.259 -6.934 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.212 -7.157 -6.972 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.209 -8.525 -6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -11.398 -7.795 -4.582 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -9.696 -7.445 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -9.997 -5.156 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.402 -5.256 -5.474 1.00 0.00 H new ATOM 0 HE ARG A 326 -12.627 -4.940 -3.608 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -9.989 -6.979 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -10.733 -7.042 -0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -13.423 -5.046 -1.661 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -12.618 -5.980 -0.396 1.00 0.00 H new ATOM 628 N VAL A 327 -7.769 -6.732 -9.111 1.00 0.00 N ATOM 629 CA VAL A 327 -7.140 -7.258 -10.341 1.00 0.00 C ATOM 630 C VAL A 327 -5.628 -7.054 -10.346 1.00 0.00 C ATOM 631 O VAL A 327 -4.849 -8.006 -10.343 1.00 0.00 O ATOM 632 CB VAL A 327 -7.792 -6.622 -11.589 1.00 0.00 C ATOM 633 CG1 VAL A 327 -7.101 -7.032 -12.885 1.00 0.00 C ATOM 634 CG2 VAL A 327 -9.268 -6.988 -11.667 1.00 0.00 C ATOM 0 H VAL A 327 -7.420 -5.812 -8.843 1.00 0.00 H new ATOM 0 HA VAL A 327 -7.311 -8.334 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 327 -7.682 -5.543 -11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.600 -6.557 -13.729 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -6.058 -6.718 -12.856 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -7.151 -8.115 -12.997 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -9.710 -6.531 -12.552 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.371 -8.071 -11.728 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -9.781 -6.624 -10.777 1.00 0.00 H new ATOM 644 N THR A 328 -5.253 -5.782 -10.370 1.00 0.00 N ATOM 645 CA THR A 328 -3.892 -5.280 -10.642 1.00 0.00 C ATOM 646 C THR A 328 -3.542 -4.028 -9.803 1.00 0.00 C ATOM 647 O THR A 328 -2.611 -3.291 -10.121 1.00 0.00 O ATOM 648 CB THR A 328 -3.727 -5.094 -12.168 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.406 -4.732 -12.510 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.697 -4.098 -12.829 1.00 0.00 C ATOM 0 H THR A 328 -5.915 -5.026 -10.193 1.00 0.00 H new ATOM 0 HA THR A 328 -3.156 -6.016 -10.317 1.00 0.00 H new ATOM 0 HB THR A 328 -3.977 -6.078 -12.564 1.00 0.00 H new ATOM 0 HG1 THR A 328 -2.055 -4.107 -11.842 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.492 -4.046 -13.898 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.723 -4.431 -12.672 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.563 -3.111 -12.386 1.00 0.00 H new ATOM 658 N GLY A 329 -4.352 -3.794 -8.758 1.00 0.00 N ATOM 659 CA GLY A 329 -4.551 -2.621 -7.897 1.00 0.00 C ATOM 660 C GLY A 329 -3.498 -1.508 -7.853 1.00 0.00 C ATOM 661 O GLY A 329 -2.289 -1.737 -7.802 1.00 0.00 O ATOM 0 H GLY A 329 -4.977 -4.541 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -5.495 -2.161 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -4.678 -2.986 -6.878 1.00 0.00 H new ATOM 665 N GLU A 330 -4.007 -0.276 -7.842 1.00 0.00 N ATOM 666 CA GLU A 330 -3.272 0.959 -8.131 1.00 0.00 C ATOM 667 C GLU A 330 -3.838 2.101 -7.270 1.00 0.00 C ATOM 668 O GLU A 330 -4.758 2.824 -7.663 1.00 0.00 O ATOM 669 CB GLU A 330 -3.379 1.261 -9.633 1.00 0.00 C ATOM 670 CG GLU A 330 -2.424 0.396 -10.456 1.00 0.00 C ATOM 671 CD GLU A 330 -2.439 0.794 -11.944 1.00 0.00 C ATOM 672 OE1 GLU A 330 -3.391 0.437 -12.678 1.00 0.00 O ATOM 673 OE2 GLU A 330 -1.487 1.474 -12.397 1.00 0.00 O ATOM 0 H GLU A 330 -4.988 -0.102 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.216 0.850 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.403 1.090 -9.966 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.158 2.314 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -1.412 0.494 -10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -2.704 -0.653 -10.356 1.00 0.00 H new ATOM 680 N ALA A 331 -3.335 2.186 -6.040 1.00 0.00 N ATOM 681 CA ALA A 331 -4.009 2.772 -4.892 1.00 0.00 C ATOM 682 C ALA A 331 -3.036 3.516 -3.949 1.00 0.00 C ATOM 683 O ALA A 331 -1.816 3.468 -4.138 1.00 0.00 O ATOM 684 CB ALA A 331 -4.682 1.576 -4.216 1.00 0.00 C ATOM 0 H ALA A 331 -2.406 1.832 -5.811 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.724 3.543 -5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.222 1.914 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.381 1.111 -4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.924 0.850 -3.923 1.00 0.00 H new ATOM 690 N ASP A 332 -3.566 4.196 -2.925 1.00 0.00 N ATOM 691 CA ASP A 332 -2.763 5.041 -2.020 1.00 0.00 C ATOM 692 C ASP A 332 -3.308 5.062 -0.590 1.00 0.00 C ATOM 693 O ASP A 332 -4.513 4.980 -0.349 1.00 0.00 O ATOM 694 CB ASP A 332 -2.645 6.498 -2.530 1.00 0.00 C ATOM 695 CG ASP A 332 -1.402 6.803 -3.374 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.394 6.483 -4.587 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.458 7.426 -2.828 1.00 0.00 O ATOM 0 H ASP A 332 -4.560 4.179 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.774 4.582 -2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.530 6.730 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.652 7.167 -1.670 1.00 0.00 H new ATOM 702 N VAL A 333 -2.400 5.188 0.377 1.00 0.00 N ATOM 703 CA VAL A 333 -2.708 4.930 1.790 1.00 0.00 C ATOM 704 C VAL A 333 -2.061 5.947 2.687 1.00 0.00 C ATOM 705 O VAL A 333 -0.935 6.366 2.457 1.00 0.00 O ATOM 706 CB VAL A 333 -2.322 3.497 2.207 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.294 2.504 1.056 1.00 0.00 C ATOM 708 CG2 VAL A 333 -1.002 3.294 2.933 1.00 0.00 C ATOM 0 H VAL A 333 -1.434 5.470 0.208 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.788 5.023 1.904 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.135 3.314 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -2.014 1.520 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.282 2.450 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.566 2.829 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.871 2.236 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.182 3.634 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.005 3.866 3.861 1.00 0.00 H new ATOM 718 N GLU A 334 -2.793 6.380 3.696 1.00 0.00 N ATOM 719 CA GLU A 334 -2.646 7.719 4.233 1.00 0.00 C ATOM 720 C GLU A 334 -2.297 7.635 5.705 1.00 0.00 C ATOM 721 O GLU A 334 -3.077 7.118 6.498 1.00 0.00 O ATOM 722 CB GLU A 334 -3.967 8.450 4.028 1.00 0.00 C ATOM 723 CG GLU A 334 -4.132 9.051 2.628 1.00 0.00 C ATOM 724 CD GLU A 334 -5.606 9.175 2.202 1.00 0.00 C ATOM 725 OE1 GLU A 334 -6.366 9.991 2.772 1.00 0.00 O ATOM 726 OE2 GLU A 334 -6.041 8.445 1.283 1.00 0.00 O ATOM 0 H GLU A 334 -3.503 5.817 4.164 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.846 8.260 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.787 7.757 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.049 9.247 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.667 10.037 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.601 8.430 1.906 1.00 0.00 H new ATOM 733 N PHE A 335 -1.108 8.092 6.075 1.00 0.00 N ATOM 734 CA PHE A 335 -0.419 7.592 7.265 1.00 0.00 C ATOM 735 C PHE A 335 -0.123 8.669 8.312 1.00 0.00 C ATOM 736 O PHE A 335 -0.111 9.860 8.011 1.00 0.00 O ATOM 737 CB PHE A 335 0.909 6.968 6.816 1.00 0.00 C ATOM 738 CG PHE A 335 0.874 5.510 6.403 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.309 4.514 7.220 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.539 5.127 5.233 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.333 3.175 6.808 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.537 3.791 4.798 1.00 0.00 C ATOM 743 CZ PHE A 335 0.884 2.819 5.570 1.00 0.00 C ATOM 0 H PHE A 335 -0.595 8.813 5.567 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.083 6.871 7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.291 7.550 5.977 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.626 7.073 7.630 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.143 4.781 8.164 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.064 5.872 4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.077 2.410 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.033 3.515 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.806 1.803 5.213 1.00 0.00 H new ATOM 753 N ALA A 336 0.257 8.237 9.519 1.00 0.00 N ATOM 754 CA ALA A 336 0.931 9.037 10.527 1.00 0.00 C ATOM 755 C ALA A 336 2.409 9.289 10.186 1.00 0.00 C ATOM 756 O ALA A 336 3.324 8.963 10.946 1.00 0.00 O ATOM 757 CB ALA A 336 0.851 8.334 11.867 1.00 0.00 C ATOM 0 H ALA A 336 0.093 7.278 9.826 1.00 0.00 H new ATOM 0 HA ALA A 336 0.427 10.003 10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.357 8.934 12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.194 8.203 12.147 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.333 7.359 11.796 1.00 0.00 H new ATOM 763 N THR A 337 2.649 9.825 9.000 1.00 0.00 N ATOM 764 CA THR A 337 3.718 10.732 8.602 1.00 0.00 C ATOM 765 C THR A 337 4.587 10.085 7.537 1.00 0.00 C ATOM 766 O THR A 337 4.442 8.896 7.254 1.00 0.00 O ATOM 767 CB THR A 337 4.562 11.258 9.771 1.00 0.00 C ATOM 768 OG1 THR A 337 5.393 10.311 10.372 1.00 0.00 O ATOM 769 CG2 THR A 337 3.776 12.066 10.795 1.00 0.00 C ATOM 0 H THR A 337 2.038 9.615 8.211 1.00 0.00 H new ATOM 0 HA THR A 337 3.232 11.614 8.185 1.00 0.00 H new ATOM 0 HB THR A 337 5.236 11.961 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.856 9.715 10.935 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.446 12.400 11.587 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.329 12.933 10.309 1.00 0.00 H new ATOM 0 HG23 THR A 337 2.990 11.444 11.223 1.00 0.00 H new ATOM 777 N HIS A 338 5.533 10.840 6.978 1.00 0.00 N ATOM 778 CA HIS A 338 6.631 10.260 6.209 1.00 0.00 C ATOM 779 C HIS A 338 7.329 9.166 7.009 1.00 0.00 C ATOM 780 O HIS A 338 7.681 8.156 6.450 1.00 0.00 O ATOM 781 CB HIS A 338 7.583 11.387 5.805 1.00 0.00 C ATOM 782 CG HIS A 338 8.887 10.993 5.178 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.209 11.077 3.843 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.036 10.709 5.861 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.521 10.811 3.718 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.071 10.574 4.925 1.00 0.00 N ATOM 0 H HIS A 338 5.560 11.857 7.045 1.00 0.00 H new ATOM 0 HA HIS A 338 6.254 9.782 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.057 12.040 5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 338 7.801 11.979 6.694 1.00 0.00 H new ATOM 0 HD1 HIS A 338 8.567 11.301 3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.130 10.607 6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 338 11.059 10.790 2.782 1.00 0.00 H new ATOM 794 N GLU A 339 7.453 9.294 8.320 1.00 0.00 N ATOM 795 CA GLU A 339 8.054 8.325 9.229 1.00 0.00 C ATOM 796 C GLU A 339 7.193 7.060 9.469 1.00 0.00 C ATOM 797 O GLU A 339 7.753 5.963 9.545 1.00 0.00 O ATOM 798 CB GLU A 339 8.516 9.074 10.486 1.00 0.00 C ATOM 799 CG GLU A 339 9.732 9.940 10.101 1.00 0.00 C ATOM 800 CD GLU A 339 10.050 11.028 11.142 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.396 10.695 12.302 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.979 12.233 10.793 1.00 0.00 O ATOM 0 H GLU A 339 7.118 10.124 8.809 1.00 0.00 H new ATOM 0 HA GLU A 339 8.935 7.881 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.712 9.698 10.876 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.783 8.369 11.273 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.604 9.298 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.544 10.412 9.136 1.00 0.00 H new ATOM 809 N GLU A 340 5.852 7.128 9.447 1.00 0.00 N ATOM 810 CA GLU A 340 5.010 5.932 9.278 1.00 0.00 C ATOM 811 C GLU A 340 5.171 5.291 7.890 1.00 0.00 C ATOM 812 O GLU A 340 5.327 4.080 7.737 1.00 0.00 O ATOM 813 CB GLU A 340 3.565 6.329 9.551 1.00 0.00 C ATOM 814 CG GLU A 340 2.485 5.267 9.377 1.00 0.00 C ATOM 815 CD GLU A 340 2.451 4.267 10.549 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.504 3.909 11.124 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.333 3.858 10.924 1.00 0.00 O ATOM 0 H GLU A 340 5.328 7.998 9.544 1.00 0.00 H new ATOM 0 HA GLU A 340 5.327 5.168 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.508 6.698 10.575 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.319 7.165 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.513 5.752 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.657 4.726 8.446 1.00 0.00 H new ATOM 824 N ALA A 341 5.173 6.130 6.865 1.00 0.00 N ATOM 825 CA ALA A 341 5.165 5.764 5.458 1.00 0.00 C ATOM 826 C ALA A 341 6.509 5.263 4.902 1.00 0.00 C ATOM 827 O ALA A 341 6.563 4.490 3.950 1.00 0.00 O ATOM 828 CB ALA A 341 4.768 7.049 4.771 1.00 0.00 C ATOM 0 H ALA A 341 5.181 7.141 7.001 1.00 0.00 H new ATOM 0 HA ALA A 341 4.495 4.920 5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.730 6.889 3.694 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.787 7.363 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.501 7.824 4.997 1.00 0.00 H new ATOM 834 N VAL A 342 7.609 5.681 5.513 1.00 0.00 N ATOM 835 CA VAL A 342 8.985 5.268 5.234 1.00 0.00 C ATOM 836 C VAL A 342 9.300 3.980 5.973 1.00 0.00 C ATOM 837 O VAL A 342 10.011 3.114 5.468 1.00 0.00 O ATOM 838 CB VAL A 342 9.957 6.374 5.650 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.221 6.462 7.141 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.305 6.265 4.991 1.00 0.00 C ATOM 0 H VAL A 342 7.565 6.364 6.269 1.00 0.00 H new ATOM 0 HA VAL A 342 9.095 5.092 4.164 1.00 0.00 H new ATOM 0 HB VAL A 342 9.429 7.268 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 342 10.921 7.274 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.285 6.654 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.647 5.522 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 342 11.943 7.080 5.331 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.763 5.312 5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.187 6.324 3.909 1.00 0.00 H new ATOM 850 N ALA A 343 8.661 3.788 7.126 1.00 0.00 N ATOM 851 CA ALA A 343 8.594 2.459 7.706 1.00 0.00 C ATOM 852 C ALA A 343 7.708 1.521 6.861 1.00 0.00 C ATOM 853 O ALA A 343 7.838 0.304 6.965 1.00 0.00 O ATOM 854 CB ALA A 343 8.138 2.570 9.151 1.00 0.00 C ATOM 0 H ALA A 343 8.194 4.520 7.662 1.00 0.00 H new ATOM 0 HA ALA A 343 9.585 2.004 7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.085 1.575 9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.848 3.179 9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.153 3.036 9.187 1.00 0.00 H new ATOM 860 N ALA A 344 6.878 2.067 5.962 1.00 0.00 N ATOM 861 CA ALA A 344 6.213 1.349 4.873 1.00 0.00 C ATOM 862 C ALA A 344 7.089 1.185 3.607 1.00 0.00 C ATOM 863 O ALA A 344 6.934 0.210 2.880 1.00 0.00 O ATOM 864 CB ALA A 344 4.889 2.043 4.543 1.00 0.00 C ATOM 0 H ALA A 344 6.644 3.060 5.976 1.00 0.00 H new ATOM 0 HA ALA A 344 6.025 0.334 5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.391 1.511 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.248 2.042 5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.083 3.071 4.237 1.00 0.00 H new ATOM 870 N MET A 345 8.084 2.043 3.368 1.00 0.00 N ATOM 871 CA MET A 345 9.075 1.882 2.274 1.00 0.00 C ATOM 872 C MET A 345 9.974 0.657 2.448 1.00 0.00 C ATOM 873 O MET A 345 10.224 -0.097 1.509 1.00 0.00 O ATOM 874 CB MET A 345 9.984 3.124 2.171 1.00 0.00 C ATOM 875 CG MET A 345 9.377 4.390 1.555 1.00 0.00 C ATOM 876 SD MET A 345 8.751 4.230 -0.132 1.00 0.00 S ATOM 877 CE MET A 345 7.186 3.405 0.241 1.00 0.00 C ATOM 0 H MET A 345 8.235 2.882 3.929 1.00 0.00 H new ATOM 0 HA MET A 345 8.485 1.752 1.367 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.333 3.371 3.174 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.862 2.852 1.586 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.560 4.725 2.194 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.134 5.175 1.567 1.00 0.00 H new ATOM 0 HE1 MET A 345 6.381 3.881 -0.319 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.252 2.354 -0.041 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.980 3.481 1.309 1.00 0.00 H new ATOM 887 N SER A 346 10.406 0.453 3.687 1.00 0.00 N ATOM 888 CA SER A 346 11.521 -0.373 4.180 1.00 0.00 C ATOM 889 C SER A 346 11.555 -1.891 3.858 1.00 0.00 C ATOM 890 O SER A 346 12.407 -2.620 4.372 1.00 0.00 O ATOM 891 CB SER A 346 11.544 -0.098 5.683 1.00 0.00 C ATOM 892 OG SER A 346 10.638 -0.946 6.368 1.00 0.00 O ATOM 0 H SER A 346 9.934 0.912 4.466 1.00 0.00 H new ATOM 0 HA SER A 346 12.416 -0.078 3.632 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.552 -0.250 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.285 0.944 5.870 1.00 0.00 H new ATOM 0 HG SER A 346 10.671 -0.753 7.328 1.00 0.00 H new ATOM 898 N LYS A 347 10.633 -2.374 3.013 1.00 0.00 N ATOM 899 CA LYS A 347 10.448 -3.777 2.571 1.00 0.00 C ATOM 900 C LYS A 347 10.262 -3.966 1.068 1.00 0.00 C ATOM 901 O LYS A 347 10.532 -5.059 0.596 1.00 0.00 O ATOM 902 CB LYS A 347 9.299 -4.488 3.317 1.00 0.00 C ATOM 903 CG LYS A 347 7.899 -4.195 2.741 1.00 0.00 C ATOM 904 CD LYS A 347 7.497 -2.739 2.890 1.00 0.00 C ATOM 905 CE LYS A 347 7.294 -2.395 4.366 1.00 0.00 C ATOM 906 NZ LYS A 347 8.308 -1.496 4.938 1.00 0.00 N ATOM 0 H LYS A 347 9.944 -1.755 2.586 1.00 0.00 H new ATOM 0 HA LYS A 347 11.399 -4.241 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.473 -5.564 3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.319 -4.188 4.365 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.881 -4.466 1.685 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.165 -4.824 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.266 -2.096 2.462 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.578 -2.549 2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.313 -1.935 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.284 -3.321 4.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 7.884 -0.939 5.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.098 -2.058 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 8.660 -0.854 4.199 1.00 0.00 H new ATOM 920 N ASP A 348 9.740 -2.952 0.374 1.00 0.00 N ATOM 921 CA ASP A 348 9.062 -2.890 -0.933 1.00 0.00 C ATOM 922 C ASP A 348 8.364 -4.122 -1.571 1.00 0.00 C ATOM 923 O ASP A 348 7.262 -3.997 -2.105 1.00 0.00 O ATOM 924 CB ASP A 348 10.037 -2.232 -1.920 1.00 0.00 C ATOM 925 CG ASP A 348 11.181 -3.161 -2.370 1.00 0.00 C ATOM 926 OD1 ASP A 348 12.200 -3.302 -1.649 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.072 -3.767 -3.457 1.00 0.00 O ATOM 0 H ASP A 348 9.789 -2.015 0.773 1.00 0.00 H new ATOM 0 HA ASP A 348 8.161 -2.322 -0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.483 -1.900 -2.798 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.464 -1.342 -1.457 1.00 0.00 H new ATOM 932 N ARG A 349 8.954 -5.315 -1.543 1.00 0.00 N ATOM 933 CA ARG A 349 8.602 -6.466 -2.389 1.00 0.00 C ATOM 934 C ARG A 349 7.445 -7.353 -1.925 1.00 0.00 C ATOM 935 O ARG A 349 7.293 -8.471 -2.403 1.00 0.00 O ATOM 936 CB ARG A 349 9.849 -7.272 -2.665 1.00 0.00 C ATOM 937 CG ARG A 349 10.399 -7.923 -1.397 1.00 0.00 C ATOM 938 CD ARG A 349 11.680 -8.633 -1.792 1.00 0.00 C ATOM 939 NE ARG A 349 12.730 -7.757 -2.385 1.00 0.00 N ATOM 940 CZ ARG A 349 13.006 -6.494 -2.084 1.00 0.00 C ATOM 941 NH1 ARG A 349 12.776 -5.955 -0.928 1.00 0.00 N ATOM 942 NH2 ARG A 349 13.464 -5.677 -2.979 1.00 0.00 N ATOM 0 H ARG A 349 9.723 -5.520 -0.905 1.00 0.00 H new ATOM 0 HA ARG A 349 8.197 -6.031 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.627 -8.044 -3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 349 10.610 -6.625 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 349 10.593 -7.173 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 349 9.679 -8.627 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 349 12.093 -9.123 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 349 11.436 -9.418 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 349 13.308 -8.180 -3.112 1.00 0.00 H new ATOM 0 HH11 ARG A 349 12.357 -6.509 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 349 13.014 -4.977 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 349 13.618 -6.001 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 349 13.670 -4.710 -2.729 1.00 0.00 H new ATOM 956 N ALA A 350 6.672 -6.954 -0.931 1.00 0.00 N ATOM 957 CA ALA A 350 6.410 -7.920 0.154 1.00 0.00 C ATOM 958 C ALA A 350 4.961 -8.432 0.280 1.00 0.00 C ATOM 959 O ALA A 350 4.545 -8.955 1.313 1.00 0.00 O ATOM 960 CB ALA A 350 6.977 -7.370 1.459 1.00 0.00 C ATOM 0 H ALA A 350 6.235 -6.037 -0.839 1.00 0.00 H new ATOM 0 HA ALA A 350 6.934 -8.836 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 350 6.787 -8.078 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.051 -7.219 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.498 -6.419 1.691 1.00 0.00 H new ATOM 966 N ASN A 351 4.193 -8.275 -0.792 1.00 0.00 N ATOM 967 CA ASN A 351 2.734 -8.250 -0.773 1.00 0.00 C ATOM 968 C ASN A 351 2.039 -9.439 -1.446 1.00 0.00 C ATOM 969 O ASN A 351 0.989 -9.886 -0.988 1.00 0.00 O ATOM 970 CB ASN A 351 2.410 -7.003 -1.587 1.00 0.00 C ATOM 971 CG ASN A 351 0.927 -6.782 -1.793 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.413 -6.812 -2.894 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.183 -6.585 -0.744 1.00 0.00 N ATOM 0 H ASN A 351 4.580 -8.158 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 351 2.385 -8.277 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.832 -6.132 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.896 -7.078 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.823 -6.457 -0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.606 -6.558 0.184 1.00 0.00 H new ATOM 980 N MET A 352 2.604 -9.896 -2.566 1.00 0.00 N ATOM 981 CA MET A 352 1.843 -10.666 -3.587 1.00 0.00 C ATOM 982 C MET A 352 2.578 -11.877 -4.188 1.00 0.00 C ATOM 983 O MET A 352 2.671 -12.069 -5.395 1.00 0.00 O ATOM 984 CB MET A 352 1.203 -9.754 -4.629 1.00 0.00 C ATOM 985 CG MET A 352 2.060 -8.805 -5.458 1.00 0.00 C ATOM 986 SD MET A 352 3.039 -9.436 -6.851 1.00 0.00 S ATOM 987 CE MET A 352 1.711 -9.893 -8.001 1.00 0.00 C ATOM 0 H MET A 352 3.586 -9.753 -2.801 1.00 0.00 H new ATOM 0 HA MET A 352 1.030 -11.135 -3.033 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.663 -10.393 -5.328 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.459 -9.147 -4.112 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.399 -8.033 -5.852 1.00 0.00 H new ATOM 0 HG3 MET A 352 2.752 -8.313 -4.774 1.00 0.00 H new ATOM 0 HE1 MET A 352 2.143 -10.183 -8.959 1.00 0.00 H new ATOM 0 HE2 MET A 352 1.145 -10.729 -7.590 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.046 -9.041 -8.146 1.00 0.00 H new ATOM 997 N GLN A 353 3.103 -12.772 -3.368 1.00 0.00 N ATOM 998 CA GLN A 353 2.627 -13.091 -2.016 1.00 0.00 C ATOM 999 C GLN A 353 3.882 -13.237 -1.148 1.00 0.00 C ATOM 1000 O GLN A 353 4.347 -14.341 -0.859 1.00 0.00 O ATOM 1001 CB GLN A 353 1.723 -14.336 -2.119 1.00 0.00 C ATOM 1002 CG GLN A 353 0.444 -14.119 -2.955 1.00 0.00 C ATOM 1003 CD GLN A 353 -0.753 -13.553 -2.194 1.00 0.00 C ATOM 1004 OE1 GLN A 353 -0.646 -12.813 -1.224 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -1.957 -13.880 -2.615 1.00 0.00 N ATOM 0 H GLN A 353 3.915 -13.329 -3.633 1.00 0.00 H new ATOM 0 HA GLN A 353 2.007 -12.327 -1.547 1.00 0.00 H new ATOM 0 HB2 GLN A 353 2.296 -15.153 -2.557 1.00 0.00 H new ATOM 0 HB3 GLN A 353 1.439 -14.649 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 353 0.680 -13.445 -3.779 1.00 0.00 H new ATOM 0 HG3 GLN A 353 0.154 -15.072 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -2.066 -14.495 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -2.781 -13.518 -2.135 1.00 0.00 H new ATOM 1014 N HIS A 354 4.503 -12.075 -0.894 1.00 0.00 N ATOM 1015 CA HIS A 354 5.927 -11.804 -1.151 1.00 0.00 C ATOM 1016 C HIS A 354 6.328 -12.060 -2.626 1.00 0.00 C ATOM 1017 O HIS A 354 6.405 -13.209 -3.070 1.00 0.00 O ATOM 1018 CB HIS A 354 6.817 -12.519 -0.129 1.00 0.00 C ATOM 1019 CG HIS A 354 8.275 -12.200 -0.314 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.171 -12.916 -1.075 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.947 -11.127 0.203 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.362 -12.299 -1.011 1.00 0.00 C ATOM 1023 NE2 HIS A 354 10.276 -11.203 -0.234 1.00 0.00 N ATOM 0 H HIS A 354 4.015 -11.274 -0.493 1.00 0.00 H new ATOM 0 HA HIS A 354 6.094 -10.737 -1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.511 -12.234 0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 354 6.670 -13.596 -0.214 1.00 0.00 H new ATOM 0 HD1 HIS A 354 8.966 -13.768 -1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 354 8.528 -10.358 0.835 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.259 -12.634 -1.511 1.00 0.00 H new ATOM 1031 N ARG A 355 6.552 -10.972 -3.387 1.00 0.00 N ATOM 1032 CA ARG A 355 6.994 -10.960 -4.803 1.00 0.00 C ATOM 1033 C ARG A 355 7.439 -9.566 -5.275 1.00 0.00 C ATOM 1034 O ARG A 355 8.606 -9.450 -5.643 1.00 0.00 O ATOM 1035 CB ARG A 355 5.897 -11.523 -5.731 1.00 0.00 C ATOM 1036 CG ARG A 355 6.173 -11.376 -7.240 1.00 0.00 C ATOM 1037 CD ARG A 355 7.507 -11.989 -7.694 1.00 0.00 C ATOM 1038 NE ARG A 355 7.871 -11.536 -9.051 1.00 0.00 N ATOM 1039 CZ ARG A 355 8.570 -10.461 -9.378 1.00 0.00 C ATOM 1040 NH1 ARG A 355 9.053 -9.628 -8.496 1.00 0.00 N ATOM 1041 NH2 ARG A 355 8.803 -10.191 -10.630 1.00 0.00 N ATOM 0 H ARG A 355 6.425 -10.030 -3.018 1.00 0.00 H new ATOM 0 HA ARG A 355 7.868 -11.609 -4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 355 5.760 -12.580 -5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 355 4.956 -11.023 -5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 355 5.361 -11.846 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 355 6.165 -10.317 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 355 8.294 -11.712 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.434 -13.076 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 355 7.547 -12.117 -9.824 1.00 0.00 H new ATOM 0 HH11 ARG A 355 8.898 -9.792 -7.501 1.00 0.00 H new ATOM 0 HH12 ARG A 355 9.586 -8.814 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 355 8.447 -10.808 -11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 355 9.342 -9.362 -10.881 1.00 0.00 H new ATOM 1055 N TYR A 356 6.537 -8.565 -5.282 1.00 0.00 N ATOM 1056 CA TYR A 356 6.765 -7.102 -5.419 1.00 0.00 C ATOM 1057 C TYR A 356 5.545 -6.263 -5.819 1.00 0.00 C ATOM 1058 O TYR A 356 4.672 -6.689 -6.568 1.00 0.00 O ATOM 1059 CB TYR A 356 7.976 -6.738 -6.307 1.00 0.00 C ATOM 1060 CG TYR A 356 8.140 -5.274 -6.688 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.712 -4.356 -5.784 1.00 0.00 C ATOM 1062 CD2 TYR A 356 7.699 -4.824 -7.949 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.967 -3.032 -6.193 1.00 0.00 C ATOM 1064 CE2 TYR A 356 7.921 -3.492 -8.348 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.580 -2.596 -7.477 1.00 0.00 C ATOM 1066 OH TYR A 356 8.817 -1.310 -7.857 1.00 0.00 O ATOM 0 H TYR A 356 5.543 -8.771 -5.184 1.00 0.00 H new ATOM 0 HA TYR A 356 6.993 -6.823 -4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.882 -7.057 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.910 -7.321 -7.225 1.00 0.00 H new ATOM 0 HD1 TYR A 356 8.955 -4.667 -4.779 1.00 0.00 H new ATOM 0 HD2 TYR A 356 7.188 -5.505 -8.613 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.461 -2.348 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 356 7.588 -3.156 -9.319 1.00 0.00 H new ATOM 0 HH TYR A 356 8.490 -1.173 -8.771 1.00 0.00 H new ATOM 1076 N ILE A 357 5.562 -5.023 -5.320 1.00 0.00 N ATOM 1077 CA ILE A 357 4.643 -3.920 -5.583 1.00 0.00 C ATOM 1078 C ILE A 357 5.455 -2.636 -5.660 1.00 0.00 C ATOM 1079 O ILE A 357 6.399 -2.439 -4.896 1.00 0.00 O ATOM 1080 CB ILE A 357 3.662 -3.788 -4.409 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.730 -4.997 -4.309 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.847 -2.488 -4.417 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.795 -5.180 -5.506 1.00 0.00 C ATOM 0 H ILE A 357 6.289 -4.744 -4.661 1.00 0.00 H new ATOM 0 HA ILE A 357 4.099 -4.101 -6.510 1.00 0.00 H new ATOM 0 HB ILE A 357 4.294 -3.751 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.334 -5.897 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.128 -4.902 -3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 357 2.179 -2.472 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.523 -1.634 -4.367 1.00 0.00 H new ATOM 0 HG23 ILE A 357 2.259 -2.433 -5.333 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.171 -6.060 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 357 1.161 -4.300 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.386 -5.311 -6.413 1.00 0.00 H new ATOM 1095 N GLU A 358 5.015 -1.717 -6.509 1.00 0.00 N ATOM 1096 CA GLU A 358 5.558 -0.360 -6.579 1.00 0.00 C ATOM 1097 C GLU A 358 5.135 0.479 -5.376 1.00 0.00 C ATOM 1098 O GLU A 358 4.268 1.345 -5.480 1.00 0.00 O ATOM 1099 CB GLU A 358 5.218 0.327 -7.921 1.00 0.00 C ATOM 1100 CG GLU A 358 5.429 -0.555 -9.160 1.00 0.00 C ATOM 1101 CD GLU A 358 5.586 0.272 -10.451 1.00 0.00 C ATOM 1102 OE1 GLU A 358 4.826 1.248 -10.665 1.00 0.00 O ATOM 1103 OE2 GLU A 358 6.454 -0.067 -11.290 1.00 0.00 O ATOM 0 H GLU A 358 4.264 -1.891 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 358 6.644 -0.444 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 358 4.178 0.652 -7.895 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.830 1.224 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.316 -1.172 -9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 358 4.583 -1.234 -9.267 1.00 0.00 H new ATOM 1110 N LEU A 359 5.751 0.194 -4.227 1.00 0.00 N ATOM 1111 CA LEU A 359 5.643 0.949 -2.994 1.00 0.00 C ATOM 1112 C LEU A 359 6.544 2.194 -2.986 1.00 0.00 C ATOM 1113 O LEU A 359 7.770 2.068 -2.944 1.00 0.00 O ATOM 1114 CB LEU A 359 6.060 0.014 -1.851 1.00 0.00 C ATOM 1115 CG LEU A 359 5.040 -1.033 -1.364 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.598 -1.562 -0.047 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.652 -0.412 -1.294 1.00 0.00 C ATOM 0 H LEU A 359 6.368 -0.613 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 359 4.617 1.301 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 359 6.959 -0.516 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.337 0.633 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 359 4.908 -1.877 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.921 -2.314 0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.577 -2.010 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.695 -0.741 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 359 2.936 -1.158 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.664 0.428 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.360 -0.060 -2.284 1.00 0.00 H new ATOM 1129 N PHE A 360 5.939 3.386 -2.979 1.00 0.00 N ATOM 1130 CA PHE A 360 6.652 4.669 -3.066 1.00 0.00 C ATOM 1131 C PHE A 360 5.972 5.804 -2.294 1.00 0.00 C ATOM 1132 O PHE A 360 4.755 5.973 -2.339 1.00 0.00 O ATOM 1133 CB PHE A 360 6.790 5.056 -4.541 1.00 0.00 C ATOM 1134 CG PHE A 360 7.808 4.216 -5.282 1.00 0.00 C ATOM 1135 CD1 PHE A 360 9.165 4.583 -5.274 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.406 3.018 -5.901 1.00 0.00 C ATOM 1137 CE1 PHE A 360 10.121 3.754 -5.885 1.00 0.00 C ATOM 1138 CE2 PHE A 360 8.364 2.190 -6.512 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.720 2.559 -6.509 1.00 0.00 C ATOM 0 H PHE A 360 4.927 3.491 -2.912 1.00 0.00 H new ATOM 0 HA PHE A 360 7.627 4.528 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.821 4.956 -5.029 1.00 0.00 H new ATOM 0 HB3 PHE A 360 7.075 6.106 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.473 5.502 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.364 2.735 -5.907 1.00 0.00 H new ATOM 0 HE1 PHE A 360 11.164 4.034 -5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 360 8.057 1.269 -6.985 1.00 0.00 H new ATOM 0 HZ PHE A 360 10.454 1.926 -6.985 1.00 0.00 H new ATOM 1149 N LEU A 361 6.776 6.614 -1.600 1.00 0.00 N ATOM 1150 CA LEU A 361 6.321 7.821 -0.906 1.00 0.00 C ATOM 1151 C LEU A 361 5.828 8.909 -1.862 1.00 0.00 C ATOM 1152 O LEU A 361 6.102 8.913 -3.065 1.00 0.00 O ATOM 1153 CB LEU A 361 7.471 8.407 -0.061 1.00 0.00 C ATOM 1154 CG LEU A 361 7.769 7.615 1.208 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.189 7.828 1.737 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.821 8.087 2.290 1.00 0.00 C ATOM 0 H LEU A 361 7.777 6.447 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 361 5.484 7.517 -0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.373 8.449 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.223 9.433 0.212 1.00 0.00 H new ATOM 0 HG LEU A 361 7.653 6.560 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.333 7.236 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 361 9.910 7.517 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.337 8.883 1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.014 7.535 3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 361 6.973 9.152 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.792 7.915 1.973 1.00 0.00 H new ATOM 1168 N ASN A 362 5.170 9.892 -1.253 1.00 0.00 N ATOM 1169 CA ASN A 362 4.628 11.071 -1.909 1.00 0.00 C ATOM 1170 C ASN A 362 5.024 12.399 -1.227 1.00 0.00 C ATOM 1171 O ASN A 362 4.660 13.465 -1.730 1.00 0.00 O ATOM 1172 CB ASN A 362 3.106 10.903 -1.857 1.00 0.00 C ATOM 1173 CG ASN A 362 2.563 9.806 -2.759 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.542 9.910 -3.979 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.085 8.739 -2.169 1.00 0.00 N ATOM 0 H ASN A 362 4.995 9.885 -0.248 1.00 0.00 H new ATOM 0 HA ASN A 362 5.026 11.137 -2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 362 2.811 10.690 -0.829 1.00 0.00 H new ATOM 0 HB3 ASN A 362 2.639 11.848 -2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.689 7.982 -2.727 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.109 8.665 -1.152 1.00 0.00 H new ATOM 1182 N SER A 363 5.650 12.363 -0.039 1.00 0.00 N ATOM 1183 CA SER A 363 5.414 13.427 0.962 1.00 0.00 C ATOM 1184 C SER A 363 6.459 13.539 2.091 1.00 0.00 C ATOM 1185 O SER A 363 7.396 12.740 2.188 1.00 0.00 O ATOM 1186 CB SER A 363 4.016 13.170 1.557 1.00 0.00 C ATOM 1187 OG SER A 363 3.015 13.830 0.802 1.00 0.00 O ATOM 0 H SER A 363 6.304 11.635 0.250 1.00 0.00 H new ATOM 0 HA SER A 363 5.497 14.382 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.816 12.099 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.987 13.518 2.590 1.00 0.00 H new ATOM 0 HG SER A 363 2.136 13.651 1.197 1.00 0.00 H new ATOM 1193 N THR A 364 6.240 14.512 2.984 1.00 0.00 N ATOM 1194 CA THR A 364 7.030 14.828 4.195 1.00 0.00 C ATOM 1195 C THR A 364 6.303 14.409 5.484 1.00 0.00 C ATOM 1196 O THR A 364 5.135 14.006 5.470 1.00 0.00 O ATOM 1197 CB THR A 364 7.297 16.351 4.313 1.00 0.00 C ATOM 1198 OG1 THR A 364 7.223 17.009 3.059 1.00 0.00 O ATOM 1199 CG2 THR A 364 8.687 16.661 4.878 1.00 0.00 C ATOM 0 H THR A 364 5.450 15.149 2.877 1.00 0.00 H new ATOM 0 HA THR A 364 7.962 14.274 4.088 1.00 0.00 H new ATOM 0 HB THR A 364 6.519 16.711 4.987 1.00 0.00 H new ATOM 0 HG1 THR A 364 7.396 17.966 3.181 1.00 0.00 H new ATOM 0 HG21 THR A 364 8.822 17.741 4.940 1.00 0.00 H new ATOM 0 HG22 THR A 364 8.781 16.226 5.873 1.00 0.00 H new ATOM 0 HG23 THR A 364 9.449 16.237 4.224 1.00 0.00 H new ATOM 1207 N THR A 365 6.997 14.488 6.619 1.00 0.00 N ATOM 1208 CA THR A 365 6.434 14.392 7.975 1.00 0.00 C ATOM 1209 C THR A 365 5.448 15.542 8.238 1.00 0.00 C ATOM 1210 O THR A 365 5.609 16.659 7.740 1.00 0.00 O ATOM 1211 CB THR A 365 7.582 14.374 9.009 1.00 0.00 C ATOM 1212 OG1 THR A 365 8.567 13.443 8.612 1.00 0.00 O ATOM 1213 CG2 THR A 365 7.147 13.928 10.399 1.00 0.00 C ATOM 0 H THR A 365 8.008 14.626 6.624 1.00 0.00 H new ATOM 0 HA THR A 365 5.872 13.463 8.069 1.00 0.00 H new ATOM 0 HB THR A 365 7.944 15.401 9.050 1.00 0.00 H new ATOM 0 HG1 THR A 365 9.018 13.085 9.405 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.006 13.940 11.070 1.00 0.00 H new ATOM 0 HG22 THR A 365 6.382 14.607 10.776 1.00 0.00 H new ATOM 0 HG23 THR A 365 6.742 12.917 10.347 1.00 0.00 H new ATOM 1221 N GLY A 366 4.401 15.244 9.006 1.00 0.00 N ATOM 1222 CA GLY A 366 3.243 16.101 9.266 1.00 0.00 C ATOM 1223 C GLY A 366 2.279 15.378 10.208 1.00 0.00 C ATOM 1224 O GLY A 366 2.575 15.248 11.398 1.00 0.00 O ATOM 0 H GLY A 366 4.333 14.349 9.491 1.00 0.00 H new ATOM 0 HA2 GLY A 366 3.566 17.043 9.710 1.00 0.00 H new ATOM 0 HA3 GLY A 366 2.740 16.346 8.330 1.00 0.00 H new ATOM 1228 N ALA A 367 1.210 14.810 9.635 1.00 0.00 N ATOM 1229 CA ALA A 367 0.490 13.607 10.092 1.00 0.00 C ATOM 1230 C ALA A 367 -0.486 13.140 8.996 1.00 0.00 C ATOM 1231 O ALA A 367 -1.691 12.938 9.264 1.00 0.00 O ATOM 1232 CB ALA A 367 -0.170 13.829 11.463 1.00 0.00 C ATOM 0 H ALA A 367 0.797 15.200 8.788 1.00 0.00 H new ATOM 0 HA ALA A 367 1.200 12.796 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 367 -0.691 12.921 11.767 1.00 0.00 H new ATOM 0 HB2 ALA A 367 0.595 14.072 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 367 -0.883 14.651 11.395 1.00 0.00 H new TER 1238 ALA A 367