USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 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+ -163:sc= 0.812 (180deg=0.556) USER MOD Set 1.2: A 351 ASN : amide:sc= -1.12 K(o=-0.3,f=-5.8!) USER MOD Set 2.1: A 290 CYS SG : rot 14:sc= 0.564 USER MOD Set 2.2: A 362 ASN : amide:sc= 1.28 K(o=3.1,f=1.4) USER MOD Set 2.3: A 363 SER OG : rot 75:sc= 1.21 USER MOD Single : A 289 HIS : no HE2:sc= -4.11 K(o=-4.1,f=-11!) USER MOD Single : A 292 HIS : no HE2:sc= -0.386 K(o=-0.39,f=-4.5!) USER MOD Single : A 293 MET CE :methyl 171:sc= -2.87 (180deg=-3.16) USER MOD Single : A 298 TYR OH : rot 180:sc= 0 USER MOD Single : A 301 THR OG1 : rot 180:sc= 0 USER MOD Single : A 303 ASN : amide:sc= 1.12 K(o=1.1,f=-0.0054) USER MOD Single : A 306 TYR OH : rot 180:sc= 0 USER MOD Single : A 307 ASN : amide:sc= 0.586 K(o=0.59,f=0) USER MOD Single : A 310 SER OG : rot 180:sc= -0.187 USER MOD Single : A 313 ASN : amide:sc=-0.00534 X(o=-0.0053,f=0) USER MOD Single : A 318 HIS : no HE2:sc= -0.997 K(o=-1,f=-4.5!) USER MOD Single : A 328 THR OG1 : rot -26:sc= 0.546 USER MOD Single : A 337 THR OG1 : rot -76:sc= 1.03 USER MOD Single : A 338 HIS : no HD1:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 345 MET CE :methyl -107:sc= -2.84! (180deg=-7.84!) USER MOD Single : A 346 SER OG : rot -40:sc= 0.235 USER MOD Single : A 347 LYS NZ :NH3+ 155:sc= -0.242 (180deg=-1.93) USER MOD Single : A 352 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 353 GLN : amide:sc= -0.0501 X(o=-0.05,f=-0.098) USER MOD Single : A 354 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 364 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 365 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N HIS A 289 0.365 12.431 5.484 1.00 0.00 N ATOM 23 CA HIS A 289 1.231 11.706 4.566 1.00 0.00 C ATOM 24 C HIS A 289 0.352 10.847 3.654 1.00 0.00 C ATOM 25 O HIS A 289 -0.698 10.396 4.112 1.00 0.00 O ATOM 26 CB HIS A 289 2.161 10.776 5.349 1.00 0.00 C ATOM 27 CG HIS A 289 3.350 10.418 4.501 1.00 0.00 C ATOM 28 ND1 HIS A 289 4.453 11.202 4.284 1.00 0.00 N ATOM 29 CD2 HIS A 289 3.463 9.348 3.668 1.00 0.00 C ATOM 30 CE1 HIS A 289 5.229 10.611 3.366 1.00 0.00 C ATOM 31 NE2 HIS A 289 4.643 9.489 2.936 1.00 0.00 N ATOM 0 HA HIS A 289 1.825 12.415 3.989 1.00 0.00 H new ATOM 0 HB2 HIS A 289 2.490 11.263 6.267 1.00 0.00 H new ATOM 0 HB3 HIS A 289 1.626 9.873 5.642 1.00 0.00 H new ATOM 0 HD1 HIS A 289 4.651 12.090 4.746 1.00 0.00 H new ATOM 0 HD2 HIS A 289 2.761 8.531 3.587 1.00 0.00 H new ATOM 0 HE1 HIS A 289 6.183 10.984 3.025 1.00 0.00 H new ATOM 39 N CYS A 290 0.796 10.494 2.446 1.00 0.00 N ATOM 40 CA CYS A 290 0.270 9.313 1.764 1.00 0.00 C ATOM 41 C CYS A 290 1.309 8.553 0.933 1.00 0.00 C ATOM 42 O CYS A 290 2.365 9.093 0.607 1.00 0.00 O ATOM 43 CB CYS A 290 -0.970 9.679 0.938 1.00 0.00 C ATOM 44 SG CYS A 290 -0.582 10.705 -0.503 1.00 0.00 S ATOM 0 H CYS A 290 1.510 11.003 1.926 1.00 0.00 H new ATOM 0 HA CYS A 290 -0.022 8.612 2.546 1.00 0.00 H new ATOM 0 HB2 CYS A 290 -1.461 8.765 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 290 -1.680 10.208 1.574 1.00 0.00 H new ATOM 0 HG CYS A 290 0.699 10.681 -0.721 1.00 0.00 H new ATOM 50 N VAL A 291 1.015 7.293 0.588 1.00 0.00 N ATOM 51 CA VAL A 291 1.974 6.392 -0.074 1.00 0.00 C ATOM 52 C VAL A 291 1.295 5.631 -1.190 1.00 0.00 C ATOM 53 O VAL A 291 0.189 5.121 -1.018 1.00 0.00 O ATOM 54 CB VAL A 291 2.584 5.367 0.894 1.00 0.00 C ATOM 55 CG1 VAL A 291 3.914 4.829 0.367 1.00 0.00 C ATOM 56 CG2 VAL A 291 2.881 5.993 2.241 1.00 0.00 C ATOM 0 H VAL A 291 0.104 6.866 0.759 1.00 0.00 H new ATOM 0 HA VAL A 291 2.772 7.026 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 291 1.849 4.567 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 291 4.320 4.106 1.075 1.00 0.00 H new ATOM 0 HG12 VAL A 291 3.754 4.344 -0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 291 4.617 5.653 0.246 1.00 0.00 H new ATOM 0 HG21 VAL A 291 3.312 5.243 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 291 3.588 6.813 2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.957 6.375 2.676 1.00 0.00 H new ATOM 66 N HIS A 292 1.985 5.554 -2.318 1.00 0.00 N ATOM 67 CA HIS A 292 1.471 5.023 -3.567 1.00 0.00 C ATOM 68 C HIS A 292 1.790 3.530 -3.728 1.00 0.00 C ATOM 69 O HIS A 292 2.841 3.065 -3.273 1.00 0.00 O ATOM 70 CB HIS A 292 2.080 5.886 -4.676 1.00 0.00 C ATOM 71 CG HIS A 292 1.621 5.498 -6.042 1.00 0.00 C ATOM 72 ND1 HIS A 292 0.326 5.225 -6.408 1.00 0.00 N ATOM 73 CD2 HIS A 292 2.427 5.258 -7.118 1.00 0.00 C ATOM 74 CE1 HIS A 292 0.356 4.770 -7.667 1.00 0.00 C ATOM 75 NE2 HIS A 292 1.611 4.801 -8.154 1.00 0.00 N ATOM 0 H HIS A 292 2.952 5.871 -2.389 1.00 0.00 H new ATOM 0 HA HIS A 292 0.383 5.072 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 292 1.824 6.930 -4.497 1.00 0.00 H new ATOM 0 HB3 HIS A 292 3.166 5.812 -4.630 1.00 0.00 H new ATOM 0 HD1 HIS A 292 -0.505 5.346 -5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 292 3.497 5.396 -7.160 1.00 0.00 H new ATOM 0 HE1 HIS A 292 -0.508 4.426 -8.216 1.00 0.00 H new ATOM 83 N MET A 293 0.867 2.786 -4.356 1.00 0.00 N ATOM 84 CA MET A 293 0.906 1.328 -4.495 1.00 0.00 C ATOM 85 C MET A 293 0.334 0.876 -5.832 1.00 0.00 C ATOM 86 O MET A 293 -0.830 1.142 -6.153 1.00 0.00 O ATOM 87 CB MET A 293 0.103 0.627 -3.391 1.00 0.00 C ATOM 88 CG MET A 293 0.276 1.269 -2.025 1.00 0.00 C ATOM 89 SD MET A 293 -0.642 0.409 -0.737 1.00 0.00 S ATOM 90 CE MET A 293 0.503 -0.936 -0.370 1.00 0.00 C ATOM 0 H MET A 293 0.045 3.201 -4.795 1.00 0.00 H new ATOM 0 HA MET A 293 1.958 1.053 -4.423 1.00 0.00 H new ATOM 0 HB2 MET A 293 -0.954 0.636 -3.658 1.00 0.00 H new ATOM 0 HB3 MET A 293 0.409 -0.418 -3.336 1.00 0.00 H new ATOM 0 HG2 MET A 293 1.334 1.282 -1.765 1.00 0.00 H new ATOM 0 HG3 MET A 293 -0.054 2.307 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 293 0.163 -1.472 0.516 1.00 0.00 H new ATOM 0 HE2 MET A 293 0.542 -1.622 -1.216 1.00 0.00 H new ATOM 0 HE3 MET A 293 1.497 -0.528 -0.188 1.00 0.00 H new ATOM 100 N ARG A 294 1.130 0.124 -6.592 1.00 0.00 N ATOM 101 CA ARG A 294 0.670 -0.542 -7.824 1.00 0.00 C ATOM 102 C ARG A 294 1.326 -1.910 -8.000 1.00 0.00 C ATOM 103 O ARG A 294 2.336 -2.210 -7.367 1.00 0.00 O ATOM 104 CB ARG A 294 0.971 0.322 -9.055 1.00 0.00 C ATOM 105 CG ARG A 294 0.484 1.771 -9.002 1.00 0.00 C ATOM 106 CD ARG A 294 0.929 2.531 -10.269 1.00 0.00 C ATOM 107 NE ARG A 294 0.372 1.952 -11.505 1.00 0.00 N ATOM 108 CZ ARG A 294 0.936 1.079 -12.320 1.00 0.00 C ATOM 109 NH1 ARG A 294 2.176 0.689 -12.206 1.00 0.00 N ATOM 110 NH2 ARG A 294 0.229 0.541 -13.272 1.00 0.00 N ATOM 0 H ARG A 294 2.113 -0.044 -6.376 1.00 0.00 H new ATOM 0 HA ARG A 294 -0.407 -0.679 -7.730 1.00 0.00 H new ATOM 0 HB2 ARG A 294 2.050 0.329 -9.212 1.00 0.00 H new ATOM 0 HB3 ARG A 294 0.525 -0.157 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 294 -0.603 1.794 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 294 0.882 2.264 -8.115 1.00 0.00 H new ATOM 0 HD2 ARG A 294 0.620 3.573 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG A 294 2.017 2.525 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 294 -0.564 2.264 -11.763 1.00 0.00 H new ATOM 0 HH11 ARG A 294 2.761 1.062 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 294 2.560 0.011 -12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 294 -0.753 0.795 -13.384 1.00 0.00 H new ATOM 0 HH22 ARG A 294 0.657 -0.134 -13.906 1.00 0.00 H new ATOM 124 N GLY A 295 0.736 -2.752 -8.840 1.00 0.00 N ATOM 125 CA GLY A 295 1.122 -4.158 -8.964 1.00 0.00 C ATOM 126 C GLY A 295 0.417 -5.009 -7.908 1.00 0.00 C ATOM 127 O GLY A 295 0.841 -6.135 -7.641 1.00 0.00 O ATOM 0 H GLY A 295 -0.028 -2.480 -9.459 1.00 0.00 H new ATOM 0 HA2 GLY A 295 0.869 -4.523 -9.960 1.00 0.00 H new ATOM 0 HA3 GLY A 295 2.202 -4.254 -8.854 1.00 0.00 H new ATOM 131 N LEU A 296 -0.637 -4.464 -7.278 1.00 0.00 N ATOM 132 CA LEU A 296 -1.405 -5.174 -6.269 1.00 0.00 C ATOM 133 C LEU A 296 -2.025 -6.456 -6.857 1.00 0.00 C ATOM 134 O LEU A 296 -2.461 -6.462 -8.011 1.00 0.00 O ATOM 135 CB LEU A 296 -2.548 -4.332 -5.667 1.00 0.00 C ATOM 136 CG LEU A 296 -2.284 -2.981 -4.982 1.00 0.00 C ATOM 137 CD1 LEU A 296 -3.565 -2.564 -4.266 1.00 0.00 C ATOM 138 CD2 LEU A 296 -1.180 -3.055 -3.938 1.00 0.00 C ATOM 0 H LEU A 296 -0.972 -3.518 -7.461 1.00 0.00 H new ATOM 0 HA LEU A 296 -0.694 -5.408 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 296 -3.259 -4.144 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 296 -3.053 -4.963 -4.936 1.00 0.00 H new ATOM 0 HG LEU A 296 -1.975 -2.273 -5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 296 -3.409 -1.607 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 296 -4.373 -2.469 -4.992 1.00 0.00 H new ATOM 0 HD13 LEU A 296 -3.830 -3.318 -3.525 1.00 0.00 H new ATOM 0 HD21 LEU A 296 -1.038 -2.072 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 296 -1.458 -3.771 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 296 -0.252 -3.375 -4.412 1.00 0.00 H new ATOM 150 N PRO A 297 -2.125 -7.523 -6.054 1.00 0.00 N ATOM 151 CA PRO A 297 -2.765 -8.775 -6.447 1.00 0.00 C ATOM 152 C PRO A 297 -4.295 -8.678 -6.495 1.00 0.00 C ATOM 153 O PRO A 297 -4.919 -7.788 -5.921 1.00 0.00 O ATOM 154 CB PRO A 297 -2.334 -9.777 -5.375 1.00 0.00 C ATOM 155 CG PRO A 297 -2.145 -8.885 -4.145 1.00 0.00 C ATOM 156 CD PRO A 297 -1.590 -7.601 -4.708 1.00 0.00 C ATOM 0 HA PRO A 297 -2.467 -9.060 -7.456 1.00 0.00 H new ATOM 0 HB2 PRO A 297 -3.091 -10.543 -5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 297 -1.413 -10.292 -5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 297 -3.088 -8.718 -3.624 1.00 0.00 H new ATOM 0 HG3 PRO A 297 -1.460 -9.335 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 297 -1.896 -6.742 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 297 -0.500 -7.611 -4.716 1.00 0.00 H new ATOM 164 N TYR A 298 -4.920 -9.693 -7.082 1.00 0.00 N ATOM 165 CA TYR A 298 -6.372 -9.911 -7.062 1.00 0.00 C ATOM 166 C TYR A 298 -6.948 -10.254 -5.675 1.00 0.00 C ATOM 167 O TYR A 298 -8.150 -10.097 -5.465 1.00 0.00 O ATOM 168 CB TYR A 298 -6.776 -10.943 -8.134 1.00 0.00 C ATOM 169 CG TYR A 298 -5.605 -11.723 -8.707 1.00 0.00 C ATOM 170 CD1 TYR A 298 -4.928 -11.218 -9.834 1.00 0.00 C ATOM 171 CD2 TYR A 298 -5.084 -12.824 -8.002 1.00 0.00 C ATOM 172 CE1 TYR A 298 -3.726 -11.815 -10.262 1.00 0.00 C ATOM 173 CE2 TYR A 298 -3.880 -13.422 -8.425 1.00 0.00 C ATOM 174 CZ TYR A 298 -3.197 -12.918 -9.554 1.00 0.00 C ATOM 175 OH TYR A 298 -2.015 -13.479 -9.936 1.00 0.00 O ATOM 0 H TYR A 298 -4.419 -10.413 -7.603 1.00 0.00 H new ATOM 0 HA TYR A 298 -6.827 -8.952 -7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 298 -7.489 -11.644 -7.700 1.00 0.00 H new ATOM 0 HB3 TYR A 298 -7.289 -10.428 -8.946 1.00 0.00 H new ATOM 0 HD1 TYR A 298 -5.331 -10.372 -10.371 1.00 0.00 H new ATOM 0 HD2 TYR A 298 -5.606 -13.210 -7.139 1.00 0.00 H new ATOM 0 HE1 TYR A 298 -3.210 -11.431 -11.129 1.00 0.00 H new ATOM 0 HE2 TYR A 298 -3.479 -14.267 -7.885 1.00 0.00 H new ATOM 0 HH TYR A 298 -1.799 -14.226 -9.339 1.00 0.00 H new ATOM 185 N LYS A 299 -6.106 -10.646 -4.705 1.00 0.00 N ATOM 186 CA LYS A 299 -6.477 -10.738 -3.277 1.00 0.00 C ATOM 187 C LYS A 299 -6.258 -9.439 -2.473 1.00 0.00 C ATOM 188 O LYS A 299 -6.446 -9.459 -1.257 1.00 0.00 O ATOM 189 CB LYS A 299 -5.882 -12.008 -2.621 1.00 0.00 C ATOM 190 CG LYS A 299 -4.379 -12.253 -2.808 1.00 0.00 C ATOM 191 CD LYS A 299 -3.442 -11.200 -2.205 1.00 0.00 C ATOM 192 CE LYS A 299 -3.507 -11.017 -0.688 1.00 0.00 C ATOM 193 NZ LYS A 299 -2.442 -10.113 -0.192 1.00 0.00 N ATOM 0 H LYS A 299 -5.138 -10.911 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 299 -7.560 -10.855 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 299 -6.087 -11.964 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 299 -6.417 -12.873 -3.013 1.00 0.00 H new ATOM 0 HG2 LYS A 299 -4.133 -13.221 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 299 -4.173 -12.323 -3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 299 -2.418 -11.461 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 299 -3.660 -10.241 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 299 -4.482 -10.614 -0.413 1.00 0.00 H new ATOM 0 HE3 LYS A 299 -3.414 -11.988 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 299 -2.333 -10.236 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 299 -1.545 -10.341 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 299 -2.700 -9.127 -0.397 1.00 0.00 H new ATOM 207 N ALA A 300 -5.852 -8.321 -3.097 1.00 0.00 N ATOM 208 CA ALA A 300 -5.731 -7.042 -2.416 1.00 0.00 C ATOM 209 C ALA A 300 -7.084 -6.513 -1.897 1.00 0.00 C ATOM 210 O ALA A 300 -8.169 -6.832 -2.383 1.00 0.00 O ATOM 211 CB ALA A 300 -5.022 -6.031 -3.324 1.00 0.00 C ATOM 0 H ALA A 300 -5.601 -8.289 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 300 -5.120 -7.193 -1.526 1.00 0.00 H new ATOM 0 HB1 ALA A 300 -4.935 -5.076 -2.807 1.00 0.00 H new ATOM 0 HB2 ALA A 300 -4.027 -6.401 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 300 -5.599 -5.897 -4.239 1.00 0.00 H new ATOM 217 N THR A 301 -6.981 -5.678 -0.876 1.00 0.00 N ATOM 218 CA THR A 301 -8.002 -4.899 -0.171 1.00 0.00 C ATOM 219 C THR A 301 -7.286 -3.804 0.579 1.00 0.00 C ATOM 220 O THR A 301 -6.104 -3.944 0.847 1.00 0.00 O ATOM 221 CB THR A 301 -8.764 -5.690 0.903 1.00 0.00 C ATOM 222 OG1 THR A 301 -8.875 -7.070 0.626 1.00 0.00 O ATOM 223 CG2 THR A 301 -10.158 -5.128 1.056 1.00 0.00 C ATOM 0 H THR A 301 -6.064 -5.505 -0.465 1.00 0.00 H new ATOM 0 HA THR A 301 -8.714 -4.561 -0.924 1.00 0.00 H new ATOM 0 HB THR A 301 -8.182 -5.586 1.818 1.00 0.00 H new ATOM 0 HG1 THR A 301 -9.368 -7.510 1.349 1.00 0.00 H new ATOM 0 HG21 THR A 301 -10.696 -5.691 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 301 -10.098 -4.081 1.353 1.00 0.00 H new ATOM 0 HG23 THR A 301 -10.688 -5.206 0.107 1.00 0.00 H new ATOM 231 N GLU A 302 -7.976 -2.749 0.991 1.00 0.00 N ATOM 232 CA GLU A 302 -7.355 -1.681 1.766 1.00 0.00 C ATOM 233 C GLU A 302 -6.648 -2.234 3.003 1.00 0.00 C ATOM 234 O GLU A 302 -5.466 -2.007 3.210 1.00 0.00 O ATOM 235 CB GLU A 302 -8.349 -0.606 2.166 1.00 0.00 C ATOM 236 CG GLU A 302 -9.766 -1.057 2.466 1.00 0.00 C ATOM 237 CD GLU A 302 -10.015 -1.638 3.867 1.00 0.00 C ATOM 238 OE1 GLU A 302 -10.057 -0.872 4.859 1.00 0.00 O ATOM 239 OE2 GLU A 302 -10.160 -2.881 3.960 1.00 0.00 O ATOM 0 H GLU A 302 -8.968 -2.609 0.801 1.00 0.00 H new ATOM 0 HA GLU A 302 -6.613 -1.218 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 302 -7.961 -0.097 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 302 -8.391 0.132 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 302 -10.433 -0.206 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 302 -10.049 -1.809 1.729 1.00 0.00 H new ATOM 246 N ASN A 303 -7.324 -3.055 3.798 1.00 0.00 N ATOM 247 CA ASN A 303 -6.698 -3.636 4.972 1.00 0.00 C ATOM 248 C ASN A 303 -5.597 -4.629 4.628 1.00 0.00 C ATOM 249 O ASN A 303 -4.567 -4.670 5.299 1.00 0.00 O ATOM 250 CB ASN A 303 -7.776 -4.198 5.885 1.00 0.00 C ATOM 251 CG ASN A 303 -8.349 -5.525 5.414 1.00 0.00 C ATOM 252 OD1 ASN A 303 -7.865 -6.597 5.752 1.00 0.00 O ATOM 253 ND2 ASN A 303 -9.380 -5.494 4.604 1.00 0.00 N ATOM 0 H ASN A 303 -8.295 -3.329 3.651 1.00 0.00 H new ATOM 0 HA ASN A 303 -6.173 -2.853 5.519 1.00 0.00 H new ATOM 0 HB2 ASN A 303 -7.361 -4.326 6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 303 -8.585 -3.472 5.966 1.00 0.00 H new ATOM 0 HD21 ASN A 303 -9.780 -6.365 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 303 -9.782 -4.599 4.324 1.00 0.00 H new ATOM 260 N ASP A 304 -5.766 -5.347 3.524 1.00 0.00 N ATOM 261 CA ASP A 304 -4.727 -6.217 2.998 1.00 0.00 C ATOM 262 C ASP A 304 -3.433 -5.438 2.717 1.00 0.00 C ATOM 263 O ASP A 304 -2.349 -5.839 3.142 1.00 0.00 O ATOM 264 CB ASP A 304 -5.201 -6.924 1.738 1.00 0.00 C ATOM 265 CG ASP A 304 -4.115 -7.881 1.235 1.00 0.00 C ATOM 266 OD1 ASP A 304 -3.868 -8.918 1.895 1.00 0.00 O ATOM 267 OD2 ASP A 304 -3.481 -7.590 0.193 1.00 0.00 O ATOM 0 H ASP A 304 -6.624 -5.341 2.972 1.00 0.00 H new ATOM 0 HA ASP A 304 -4.511 -6.967 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 304 -6.118 -7.477 1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 304 -5.437 -6.191 0.967 1.00 0.00 H new ATOM 272 N ILE A 305 -3.553 -4.285 2.056 1.00 0.00 N ATOM 273 CA ILE A 305 -2.396 -3.551 1.560 1.00 0.00 C ATOM 274 C ILE A 305 -1.614 -2.887 2.681 1.00 0.00 C ATOM 275 O ILE A 305 -0.383 -2.903 2.680 1.00 0.00 O ATOM 276 CB ILE A 305 -2.773 -2.530 0.484 1.00 0.00 C ATOM 277 CG1 ILE A 305 -3.865 -1.553 0.885 1.00 0.00 C ATOM 278 CG2 ILE A 305 -3.185 -3.319 -0.759 1.00 0.00 C ATOM 279 CD1 ILE A 305 -3.868 -0.246 0.128 1.00 0.00 C ATOM 0 H ILE A 305 -4.448 -3.840 1.853 1.00 0.00 H new ATOM 0 HA ILE A 305 -1.746 -4.293 1.096 1.00 0.00 H new ATOM 0 HB ILE A 305 -1.904 -1.897 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 305 -4.832 -2.037 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 305 -3.765 -1.338 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 305 -3.463 -2.627 -1.554 1.00 0.00 H new ATOM 0 HG22 ILE A 305 -2.351 -3.937 -1.091 1.00 0.00 H new ATOM 0 HG23 ILE A 305 -4.036 -3.957 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 305 -4.684 0.381 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 305 -2.920 0.268 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 305 -4.003 -0.442 -0.936 1.00 0.00 H new ATOM 291 N TYR A 306 -2.304 -2.326 3.674 1.00 0.00 N ATOM 292 CA TYR A 306 -1.598 -1.559 4.684 1.00 0.00 C ATOM 293 C TYR A 306 -1.091 -2.423 5.831 1.00 0.00 C ATOM 294 O TYR A 306 -0.077 -2.098 6.447 1.00 0.00 O ATOM 295 CB TYR A 306 -2.430 -0.380 5.146 1.00 0.00 C ATOM 296 CG TYR A 306 -3.489 -0.687 6.180 1.00 0.00 C ATOM 297 CD1 TYR A 306 -3.094 -0.900 7.514 1.00 0.00 C ATOM 298 CD2 TYR A 306 -4.852 -0.625 5.839 1.00 0.00 C ATOM 299 CE1 TYR A 306 -4.065 -1.076 8.518 1.00 0.00 C ATOM 300 CE2 TYR A 306 -5.828 -0.780 6.845 1.00 0.00 C ATOM 301 CZ TYR A 306 -5.437 -1.015 8.183 1.00 0.00 C ATOM 302 OH TYR A 306 -6.389 -1.179 9.142 1.00 0.00 O ATOM 0 H TYR A 306 -3.315 -2.387 3.795 1.00 0.00 H new ATOM 0 HA TYR A 306 -0.699 -1.153 4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 306 -1.759 0.376 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 306 -2.916 0.061 4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 306 -2.045 -0.928 7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 306 -5.149 -0.460 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 306 -3.763 -1.257 9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 306 -6.876 -0.719 6.593 1.00 0.00 H new ATOM 0 HH TYR A 306 -7.278 -1.106 8.736 1.00 0.00 H new ATOM 312 N ASN A 307 -1.768 -3.539 6.097 1.00 0.00 N ATOM 313 CA ASN A 307 -1.297 -4.485 7.112 1.00 0.00 C ATOM 314 C ASN A 307 -0.119 -5.337 6.612 1.00 0.00 C ATOM 315 O ASN A 307 0.650 -5.842 7.433 1.00 0.00 O ATOM 316 CB ASN A 307 -2.457 -5.324 7.668 1.00 0.00 C ATOM 317 CG ASN A 307 -2.536 -6.734 7.103 1.00 0.00 C ATOM 318 OD1 ASN A 307 -2.213 -7.716 7.757 1.00 0.00 O ATOM 319 ND2 ASN A 307 -2.924 -6.878 5.862 1.00 0.00 N ATOM 0 H ASN A 307 -2.634 -3.810 5.631 1.00 0.00 H new ATOM 0 HA ASN A 307 -0.902 -3.906 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 307 -2.360 -5.384 8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 307 -3.395 -4.809 7.460 1.00 0.00 H new ATOM 0 HD21 ASN A 307 -2.957 -7.807 5.442 1.00 0.00 H new ATOM 0 HD22 ASN A 307 -3.194 -6.061 5.314 1.00 0.00 H new ATOM 326 N PHE A 308 0.055 -5.474 5.287 1.00 0.00 N ATOM 327 CA PHE A 308 1.287 -6.047 4.751 1.00 0.00 C ATOM 328 C PHE A 308 2.402 -5.015 4.848 1.00 0.00 C ATOM 329 O PHE A 308 3.484 -5.414 5.283 1.00 0.00 O ATOM 330 CB PHE A 308 1.146 -6.564 3.306 1.00 0.00 C ATOM 331 CG PHE A 308 1.912 -5.778 2.252 1.00 0.00 C ATOM 332 CD1 PHE A 308 3.327 -5.743 2.209 1.00 0.00 C ATOM 333 CD2 PHE A 308 1.190 -4.987 1.351 1.00 0.00 C ATOM 334 CE1 PHE A 308 3.987 -4.886 1.324 1.00 0.00 C ATOM 335 CE2 PHE A 308 1.840 -4.137 0.459 1.00 0.00 C ATOM 336 CZ PHE A 308 3.232 -4.072 0.478 1.00 0.00 C ATOM 0 H PHE A 308 -0.631 -5.200 4.584 1.00 0.00 H new ATOM 0 HA PHE A 308 1.528 -6.922 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 308 1.480 -7.601 3.275 1.00 0.00 H new ATOM 0 HB3 PHE A 308 0.089 -6.562 3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 308 3.900 -6.383 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 308 0.111 -5.036 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 308 5.066 -4.854 1.295 1.00 0.00 H new ATOM 0 HE2 PHE A 308 1.273 -3.537 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 308 3.737 -3.377 -0.176 1.00 0.00 H new ATOM 346 N PHE A 309 2.140 -3.747 4.438 1.00 0.00 N ATOM 347 CA PHE A 309 3.135 -2.671 4.364 1.00 0.00 C ATOM 348 C PHE A 309 4.002 -2.782 5.619 1.00 0.00 C ATOM 349 O PHE A 309 5.160 -3.141 5.550 1.00 0.00 O ATOM 350 CB PHE A 309 2.476 -1.274 4.337 1.00 0.00 C ATOM 351 CG PHE A 309 2.507 -0.395 3.101 1.00 0.00 C ATOM 352 CD1 PHE A 309 3.751 -0.110 2.513 1.00 0.00 C ATOM 353 CD2 PHE A 309 1.380 0.357 2.714 1.00 0.00 C ATOM 354 CE1 PHE A 309 3.875 0.914 1.560 1.00 0.00 C ATOM 355 CE2 PHE A 309 1.499 1.364 1.739 1.00 0.00 C ATOM 356 CZ PHE A 309 2.742 1.635 1.155 1.00 0.00 C ATOM 0 H PHE A 309 1.209 -3.449 4.146 1.00 0.00 H new ATOM 0 HA PHE A 309 3.713 -2.777 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 309 1.427 -1.416 4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 309 2.928 -0.698 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 309 4.621 -0.684 2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 309 0.420 0.159 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 309 4.842 1.146 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 309 0.629 1.930 1.440 1.00 0.00 H new ATOM 0 HZ PHE A 309 2.828 2.397 0.395 1.00 0.00 H new ATOM 366 N SER A 310 3.404 -2.601 6.788 1.00 0.00 N ATOM 367 CA SER A 310 3.938 -3.020 8.100 1.00 0.00 C ATOM 368 C SER A 310 2.833 -2.992 9.174 1.00 0.00 C ATOM 369 O SER A 310 1.673 -2.751 8.832 1.00 0.00 O ATOM 370 CB SER A 310 5.169 -2.179 8.524 1.00 0.00 C ATOM 371 OG SER A 310 5.651 -1.270 7.551 1.00 0.00 O ATOM 0 H SER A 310 2.497 -2.141 6.864 1.00 0.00 H new ATOM 0 HA SER A 310 4.284 -4.049 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 310 4.912 -1.619 9.423 1.00 0.00 H new ATOM 0 HB3 SER A 310 5.977 -2.860 8.792 1.00 0.00 H new ATOM 0 HG SER A 310 6.424 -0.787 7.910 1.00 0.00 H new ATOM 377 N PRO A 311 3.140 -3.208 10.471 1.00 0.00 N ATOM 378 CA PRO A 311 2.253 -2.930 11.613 1.00 0.00 C ATOM 379 C PRO A 311 1.746 -1.467 11.790 1.00 0.00 C ATOM 380 O PRO A 311 1.573 -0.986 12.914 1.00 0.00 O ATOM 381 CB PRO A 311 3.029 -3.420 12.847 1.00 0.00 C ATOM 382 CG PRO A 311 3.937 -4.511 12.293 1.00 0.00 C ATOM 383 CD PRO A 311 4.317 -3.939 10.933 1.00 0.00 C ATOM 0 HA PRO A 311 1.310 -3.450 11.444 1.00 0.00 H new ATOM 0 HB2 PRO A 311 3.604 -2.615 13.304 1.00 0.00 H new ATOM 0 HB3 PRO A 311 2.358 -3.808 13.614 1.00 0.00 H new ATOM 0 HG2 PRO A 311 4.809 -4.677 12.925 1.00 0.00 H new ATOM 0 HG3 PRO A 311 3.421 -5.467 12.205 1.00 0.00 H new ATOM 0 HD2 PRO A 311 5.181 -3.280 11.013 1.00 0.00 H new ATOM 0 HD3 PRO A 311 4.585 -4.732 10.235 1.00 0.00 H new ATOM 391 N LEU A 312 1.566 -0.729 10.694 1.00 0.00 N ATOM 392 CA LEU A 312 1.274 0.704 10.601 1.00 0.00 C ATOM 393 C LEU A 312 -0.193 1.062 10.892 1.00 0.00 C ATOM 394 O LEU A 312 -1.069 0.199 10.988 1.00 0.00 O ATOM 395 CB LEU A 312 1.607 1.162 9.175 1.00 0.00 C ATOM 396 CG LEU A 312 2.965 0.746 8.603 1.00 0.00 C ATOM 397 CD1 LEU A 312 3.142 1.474 7.293 1.00 0.00 C ATOM 398 CD2 LEU A 312 4.191 1.091 9.436 1.00 0.00 C ATOM 0 H LEU A 312 1.626 -1.154 9.769 1.00 0.00 H new ATOM 0 HA LEU A 312 1.876 1.204 11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 312 0.831 0.784 8.510 1.00 0.00 H new ATOM 0 HB3 LEU A 312 1.549 2.250 9.148 1.00 0.00 H new ATOM 0 HG LEU A 312 2.925 -0.342 8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 312 4.102 1.203 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 312 2.338 1.196 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 312 3.114 2.550 7.468 1.00 0.00 H new ATOM 0 HD21 LEU A 312 5.088 0.744 8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 312 4.246 2.171 9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 312 4.118 0.605 10.409 1.00 0.00 H new ATOM 410 N ASN A 313 -0.476 2.364 10.939 1.00 0.00 N ATOM 411 CA ASN A 313 -1.799 2.981 11.047 1.00 0.00 C ATOM 412 C ASN A 313 -1.964 4.099 9.981 1.00 0.00 C ATOM 413 O ASN A 313 -1.727 5.280 10.254 1.00 0.00 O ATOM 414 CB ASN A 313 -2.035 3.505 12.476 1.00 0.00 C ATOM 415 CG ASN A 313 -2.567 2.496 13.487 1.00 0.00 C ATOM 416 OD1 ASN A 313 -3.160 2.864 14.494 1.00 0.00 O ATOM 417 ND2 ASN A 313 -2.412 1.208 13.277 1.00 0.00 N ATOM 0 H ASN A 313 0.265 3.064 10.900 1.00 0.00 H new ATOM 0 HA ASN A 313 -2.560 2.227 10.849 1.00 0.00 H new ATOM 0 HB2 ASN A 313 -1.094 3.904 12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 313 -2.736 4.338 12.423 1.00 0.00 H new ATOM 0 HD21 ASN A 313 -2.783 0.534 13.947 1.00 0.00 H new ATOM 0 HD22 ASN A 313 -1.921 0.882 12.444 1.00 0.00 H new ATOM 424 N PRO A 314 -2.381 3.746 8.749 1.00 0.00 N ATOM 425 CA PRO A 314 -3.062 4.625 7.819 1.00 0.00 C ATOM 426 C PRO A 314 -4.309 5.124 8.517 1.00 0.00 C ATOM 427 O PRO A 314 -5.302 4.420 8.711 1.00 0.00 O ATOM 428 CB PRO A 314 -3.391 3.852 6.549 1.00 0.00 C ATOM 429 CG PRO A 314 -2.914 2.447 6.832 1.00 0.00 C ATOM 430 CD PRO A 314 -2.621 2.404 8.333 1.00 0.00 C ATOM 0 HA PRO A 314 -2.444 5.475 7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 314 -4.460 3.874 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 314 -2.884 4.277 5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 314 -3.673 1.714 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 314 -2.022 2.212 6.252 1.00 0.00 H new ATOM 0 HD2 PRO A 314 -3.462 1.976 8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 314 -1.755 1.776 8.539 1.00 0.00 H new ATOM 438 N VAL A 315 -4.212 6.377 8.914 1.00 0.00 N ATOM 439 CA VAL A 315 -5.331 7.181 9.383 1.00 0.00 C ATOM 440 C VAL A 315 -6.388 7.385 8.289 1.00 0.00 C ATOM 441 O VAL A 315 -7.510 7.797 8.593 1.00 0.00 O ATOM 442 CB VAL A 315 -4.770 8.473 9.988 1.00 0.00 C ATOM 443 CG1 VAL A 315 -3.987 8.054 11.241 1.00 0.00 C ATOM 444 CG2 VAL A 315 -3.818 9.232 9.051 1.00 0.00 C ATOM 0 H VAL A 315 -3.326 6.883 8.921 1.00 0.00 H new ATOM 0 HA VAL A 315 -5.879 6.661 10.169 1.00 0.00 H new ATOM 0 HB VAL A 315 -5.600 9.149 10.193 1.00 0.00 H new ATOM 0 HG11 VAL A 315 -3.562 8.938 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 315 -4.658 7.553 11.939 1.00 0.00 H new ATOM 0 HG13 VAL A 315 -3.184 7.373 10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 315 -3.462 10.135 9.548 1.00 0.00 H new ATOM 0 HG22 VAL A 315 -2.969 8.596 8.802 1.00 0.00 H new ATOM 0 HG23 VAL A 315 -4.347 9.505 8.138 1.00 0.00 H new ATOM 454 N ARG A 316 -6.073 6.986 7.042 1.00 0.00 N ATOM 455 CA ARG A 316 -7.030 6.662 5.976 1.00 0.00 C ATOM 456 C ARG A 316 -6.462 5.659 4.943 1.00 0.00 C ATOM 457 O ARG A 316 -5.249 5.586 4.773 1.00 0.00 O ATOM 458 CB ARG A 316 -7.373 7.994 5.298 1.00 0.00 C ATOM 459 CG ARG A 316 -8.683 7.920 4.493 1.00 0.00 C ATOM 460 CD ARG A 316 -8.972 9.174 3.668 1.00 0.00 C ATOM 461 NE ARG A 316 -8.125 9.277 2.467 1.00 0.00 N ATOM 462 CZ ARG A 316 -8.340 8.736 1.282 1.00 0.00 C ATOM 463 NH1 ARG A 316 -9.337 7.929 1.046 1.00 0.00 N ATOM 464 NH2 ARG A 316 -7.533 9.014 0.304 1.00 0.00 N ATOM 0 H ARG A 316 -5.104 6.877 6.741 1.00 0.00 H new ATOM 0 HA ARG A 316 -7.908 6.175 6.400 1.00 0.00 H new ATOM 0 HB2 ARG A 316 -7.458 8.773 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 316 -6.557 8.282 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 316 -8.640 7.059 3.826 1.00 0.00 H new ATOM 0 HG3 ARG A 316 -9.512 7.750 5.180 1.00 0.00 H new ATOM 0 HD2 ARG A 316 -10.020 9.172 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 316 -8.820 10.056 4.291 1.00 0.00 H new ATOM 0 HE ARG A 316 -7.274 9.831 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 316 -9.990 7.693 1.793 1.00 0.00 H new ATOM 0 HH12 ARG A 316 -9.464 7.534 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 316 -6.745 9.643 0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 316 -7.687 8.603 -0.617 1.00 0.00 H new ATOM 478 N VAL A 317 -7.307 4.965 4.167 1.00 0.00 N ATOM 479 CA VAL A 317 -6.908 4.233 2.935 1.00 0.00 C ATOM 480 C VAL A 317 -7.858 4.547 1.767 1.00 0.00 C ATOM 481 O VAL A 317 -9.038 4.828 1.983 1.00 0.00 O ATOM 482 CB VAL A 317 -6.887 2.685 3.107 1.00 0.00 C ATOM 483 CG1 VAL A 317 -5.918 1.995 2.129 1.00 0.00 C ATOM 484 CG2 VAL A 317 -6.547 2.125 4.488 1.00 0.00 C ATOM 0 H VAL A 317 -8.303 4.889 4.372 1.00 0.00 H new ATOM 0 HA VAL A 317 -5.895 4.578 2.727 1.00 0.00 H new ATOM 0 HB VAL A 317 -7.935 2.461 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 317 -5.943 0.918 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 317 -6.218 2.214 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 317 -4.906 2.364 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 317 -6.571 1.036 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 317 -5.551 2.457 4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 317 -7.276 2.482 5.215 1.00 0.00 H new ATOM 494 N HIS A 318 -7.370 4.408 0.531 1.00 0.00 N ATOM 495 CA HIS A 318 -8.188 4.231 -0.681 1.00 0.00 C ATOM 496 C HIS A 318 -7.641 3.061 -1.524 1.00 0.00 C ATOM 497 O HIS A 318 -6.430 2.846 -1.578 1.00 0.00 O ATOM 498 CB HIS A 318 -8.303 5.566 -1.443 1.00 0.00 C ATOM 499 CG HIS A 318 -7.606 5.669 -2.776 1.00 0.00 C ATOM 500 ND1 HIS A 318 -8.193 5.652 -4.015 1.00 0.00 N ATOM 501 CD2 HIS A 318 -6.290 5.958 -2.971 1.00 0.00 C ATOM 502 CE1 HIS A 318 -7.248 5.881 -4.942 1.00 0.00 C ATOM 503 NE2 HIS A 318 -6.058 6.070 -4.348 1.00 0.00 N ATOM 0 H HIS A 318 -6.369 4.415 0.336 1.00 0.00 H new ATOM 0 HA HIS A 318 -9.208 3.953 -0.415 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -9.361 5.774 -1.600 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -7.915 6.355 -0.799 1.00 0.00 H new ATOM 0 HD1 HIS A 318 -9.183 5.492 -4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -5.549 6.080 -2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -7.420 5.909 -6.008 1.00 0.00 H new ATOM 511 N ILE A 319 -8.532 2.278 -2.143 1.00 0.00 N ATOM 512 CA ILE A 319 -8.254 0.934 -2.692 1.00 0.00 C ATOM 513 C ILE A 319 -9.023 0.688 -3.995 1.00 0.00 C ATOM 514 O ILE A 319 -9.859 -0.193 -4.190 1.00 0.00 O ATOM 515 CB ILE A 319 -8.476 -0.163 -1.645 1.00 0.00 C ATOM 516 CG1 ILE A 319 -8.168 -1.562 -2.205 1.00 0.00 C ATOM 517 CG2 ILE A 319 -9.898 -0.080 -1.066 1.00 0.00 C ATOM 518 CD1 ILE A 319 -6.873 -1.715 -3.012 1.00 0.00 C ATOM 0 H ILE A 319 -9.500 2.567 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 319 -7.196 0.892 -2.951 1.00 0.00 H new ATOM 0 HB ILE A 319 -7.772 0.007 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 319 -8.132 -2.262 -1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 319 -9.001 -1.865 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 319 -10.036 -0.867 -0.325 1.00 0.00 H new ATOM 0 HG22 ILE A 319 -10.043 0.892 -0.594 1.00 0.00 H new ATOM 0 HG23 ILE A 319 -10.625 -0.206 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 319 -6.774 -2.747 -3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 319 -6.903 -1.052 -3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 319 -6.020 -1.455 -2.385 1.00 0.00 H new ATOM 530 N GLU A 320 -8.726 1.566 -4.916 1.00 0.00 N ATOM 531 CA GLU A 320 -9.489 1.720 -6.143 1.00 0.00 C ATOM 532 C GLU A 320 -8.848 0.961 -7.314 1.00 0.00 C ATOM 533 O GLU A 320 -7.729 1.262 -7.735 1.00 0.00 O ATOM 534 CB GLU A 320 -9.649 3.212 -6.418 1.00 0.00 C ATOM 535 CG GLU A 320 -11.011 3.763 -5.961 1.00 0.00 C ATOM 536 CD GLU A 320 -11.026 4.140 -4.467 1.00 0.00 C ATOM 537 OE1 GLU A 320 -11.075 3.248 -3.587 1.00 0.00 O ATOM 538 OE2 GLU A 320 -10.961 5.357 -4.167 1.00 0.00 O ATOM 0 H GLU A 320 -7.937 2.208 -4.841 1.00 0.00 H new ATOM 0 HA GLU A 320 -10.477 1.274 -6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 320 -8.853 3.757 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 320 -9.529 3.394 -7.486 1.00 0.00 H new ATOM 0 HG2 GLU A 320 -11.262 4.641 -6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 320 -11.783 3.018 -6.152 1.00 0.00 H new ATOM 545 N ILE A 321 -9.579 -0.034 -7.835 1.00 0.00 N ATOM 546 CA ILE A 321 -9.248 -0.811 -9.043 1.00 0.00 C ATOM 547 C ILE A 321 -10.471 -1.570 -9.587 1.00 0.00 C ATOM 548 O ILE A 321 -11.550 -1.487 -9.000 1.00 0.00 O ATOM 549 CB ILE A 321 -8.024 -1.726 -8.769 1.00 0.00 C ATOM 550 CG1 ILE A 321 -6.845 -1.350 -9.675 1.00 0.00 C ATOM 551 CG2 ILE A 321 -8.221 -3.245 -8.824 1.00 0.00 C ATOM 552 CD1 ILE A 321 -7.066 -1.456 -11.169 1.00 0.00 C ATOM 0 H ILE A 321 -10.456 -0.334 -7.409 1.00 0.00 H new ATOM 0 HA ILE A 321 -8.962 -0.123 -9.839 1.00 0.00 H new ATOM 0 HB ILE A 321 -7.830 -1.521 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 321 -6.556 -0.324 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 321 -5.999 -1.985 -9.412 1.00 0.00 H new ATOM 0 HG21 ILE A 321 -7.275 -3.743 -8.611 1.00 0.00 H new ATOM 0 HG22 ILE A 321 -8.963 -3.543 -8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 321 -8.566 -3.531 -9.818 1.00 0.00 H new ATOM 0 HD11 ILE A 321 -6.157 -1.162 -11.693 1.00 0.00 H new ATOM 0 HD12 ILE A 321 -7.318 -2.485 -11.428 1.00 0.00 H new ATOM 0 HD13 ILE A 321 -7.883 -0.798 -11.464 1.00 0.00 H new ATOM 564 N GLY A 322 -10.272 -2.336 -10.671 1.00 0.00 N ATOM 565 CA GLY A 322 -11.254 -3.096 -11.460 1.00 0.00 C ATOM 566 C GLY A 322 -12.651 -3.308 -10.833 1.00 0.00 C ATOM 567 O GLY A 322 -13.531 -2.469 -11.057 1.00 0.00 O ATOM 0 H GLY A 322 -9.333 -2.449 -11.052 1.00 0.00 H new ATOM 0 HA2 GLY A 322 -11.386 -2.588 -12.415 1.00 0.00 H new ATOM 0 HA3 GLY A 322 -10.828 -4.076 -11.676 1.00 0.00 H new ATOM 571 N PRO A 323 -12.885 -4.394 -10.061 1.00 0.00 N ATOM 572 CA PRO A 323 -14.098 -4.562 -9.260 1.00 0.00 C ATOM 573 C PRO A 323 -14.135 -3.594 -8.066 1.00 0.00 C ATOM 574 O PRO A 323 -15.027 -2.748 -7.971 1.00 0.00 O ATOM 575 CB PRO A 323 -14.112 -6.026 -8.779 1.00 0.00 C ATOM 576 CG PRO A 323 -12.873 -6.680 -9.384 1.00 0.00 C ATOM 577 CD PRO A 323 -12.016 -5.546 -9.928 1.00 0.00 C ATOM 0 HA PRO A 323 -14.979 -4.334 -9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 323 -14.089 -6.079 -7.691 1.00 0.00 H new ATOM 0 HB3 PRO A 323 -15.020 -6.535 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 323 -12.329 -7.253 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 323 -13.148 -7.375 -10.177 1.00 0.00 H new ATOM 0 HD2 PRO A 323 -11.187 -5.330 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 323 -11.582 -5.816 -10.891 1.00 0.00 H new ATOM 585 N ASP A 324 -13.172 -3.736 -7.144 1.00 0.00 N ATOM 586 CA ASP A 324 -13.137 -3.035 -5.849 1.00 0.00 C ATOM 587 C ASP A 324 -11.726 -3.033 -5.202 1.00 0.00 C ATOM 588 O ASP A 324 -11.599 -3.021 -3.979 1.00 0.00 O ATOM 589 CB ASP A 324 -14.195 -3.686 -4.924 1.00 0.00 C ATOM 590 CG ASP A 324 -14.566 -2.842 -3.686 1.00 0.00 C ATOM 591 OD1 ASP A 324 -14.670 -1.597 -3.794 1.00 0.00 O ATOM 592 OD2 ASP A 324 -14.817 -3.434 -2.606 1.00 0.00 O ATOM 0 H ASP A 324 -12.375 -4.357 -7.280 1.00 0.00 H new ATOM 0 HA ASP A 324 -13.375 -1.983 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 324 -15.099 -3.876 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 324 -13.821 -4.654 -4.590 1.00 0.00 H new ATOM 597 N GLY A 325 -10.656 -3.178 -6.000 1.00 0.00 N ATOM 598 CA GLY A 325 -9.261 -3.282 -5.522 1.00 0.00 C ATOM 599 C GLY A 325 -8.535 -4.569 -5.894 1.00 0.00 C ATOM 600 O GLY A 325 -7.476 -4.849 -5.346 1.00 0.00 O ATOM 0 H GLY A 325 -10.734 -3.228 -7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 325 -8.696 -2.439 -5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 325 -9.259 -3.185 -4.436 1.00 0.00 H new ATOM 604 N ARG A 326 -9.133 -5.387 -6.766 1.00 0.00 N ATOM 605 CA ARG A 326 -8.873 -6.823 -6.876 1.00 0.00 C ATOM 606 C ARG A 326 -8.395 -7.246 -8.278 1.00 0.00 C ATOM 607 O ARG A 326 -8.873 -8.238 -8.828 1.00 0.00 O ATOM 608 CB ARG A 326 -10.123 -7.584 -6.382 1.00 0.00 C ATOM 609 CG ARG A 326 -10.269 -7.655 -4.856 1.00 0.00 C ATOM 610 CD ARG A 326 -10.838 -6.421 -4.144 1.00 0.00 C ATOM 611 NE ARG A 326 -11.265 -6.807 -2.782 1.00 0.00 N ATOM 612 CZ ARG A 326 -12.125 -6.188 -1.999 1.00 0.00 C ATOM 613 NH1 ARG A 326 -12.485 -4.961 -2.208 1.00 0.00 N ATOM 614 NH2 ARG A 326 -12.647 -6.797 -0.973 1.00 0.00 N ATOM 0 H ARG A 326 -9.831 -5.057 -7.433 1.00 0.00 H new ATOM 0 HA ARG A 326 -8.032 -7.089 -6.236 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -11.010 -7.105 -6.796 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -10.094 -8.599 -6.778 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -10.907 -8.506 -4.618 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -9.287 -7.865 -4.433 1.00 0.00 H new ATOM 0 HD2 ARG A 326 -10.085 -5.634 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 326 -11.682 -6.019 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 326 -10.843 -7.655 -2.403 1.00 0.00 H new ATOM 0 HH11 ARG A 326 -12.100 -4.444 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 326 -13.153 -4.512 -1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 326 -12.391 -7.763 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 326 -13.312 -6.308 -0.374 1.00 0.00 H new ATOM 628 N VAL A 327 -7.449 -6.501 -8.865 1.00 0.00 N ATOM 629 CA VAL A 327 -6.810 -6.855 -10.158 1.00 0.00 C ATOM 630 C VAL A 327 -5.291 -6.677 -10.167 1.00 0.00 C ATOM 631 O VAL A 327 -4.545 -7.650 -10.258 1.00 0.00 O ATOM 632 CB VAL A 327 -7.453 -6.084 -11.333 1.00 0.00 C ATOM 633 CG1 VAL A 327 -6.818 -6.409 -12.681 1.00 0.00 C ATOM 634 CG2 VAL A 327 -8.948 -6.348 -11.429 1.00 0.00 C ATOM 0 H VAL A 327 -7.098 -5.632 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 327 -6.993 -7.921 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 327 -7.274 -5.032 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 327 -7.314 -5.836 -13.464 1.00 0.00 H new ATOM 0 HG12 VAL A 327 -5.760 -6.150 -12.656 1.00 0.00 H new ATOM 0 HG13 VAL A 327 -6.926 -7.474 -12.887 1.00 0.00 H new ATOM 0 HG21 VAL A 327 -9.363 -5.788 -12.267 1.00 0.00 H new ATOM 0 HG22 VAL A 327 -9.120 -7.413 -11.583 1.00 0.00 H new ATOM 0 HG23 VAL A 327 -9.433 -6.032 -10.506 1.00 0.00 H new ATOM 644 N THR A 328 -4.866 -5.418 -10.140 1.00 0.00 N ATOM 645 CA THR A 328 -3.521 -4.979 -10.583 1.00 0.00 C ATOM 646 C THR A 328 -2.933 -3.823 -9.770 1.00 0.00 C ATOM 647 O THR A 328 -1.785 -3.430 -9.986 1.00 0.00 O ATOM 648 CB THR A 328 -3.552 -4.602 -12.083 1.00 0.00 C ATOM 649 OG1 THR A 328 -2.279 -4.269 -12.599 1.00 0.00 O ATOM 650 CG2 THR A 328 -4.525 -3.453 -12.401 1.00 0.00 C ATOM 0 H THR A 328 -5.448 -4.650 -9.806 1.00 0.00 H new ATOM 0 HA THR A 328 -2.863 -5.831 -10.414 1.00 0.00 H new ATOM 0 HB THR A 328 -3.906 -5.509 -12.572 1.00 0.00 H new ATOM 0 HG1 THR A 328 -1.706 -3.946 -11.873 1.00 0.00 H new ATOM 0 HG21 THR A 328 -4.498 -3.239 -13.469 1.00 0.00 H new ATOM 0 HG22 THR A 328 -5.536 -3.742 -12.114 1.00 0.00 H new ATOM 0 HG23 THR A 328 -4.231 -2.563 -11.845 1.00 0.00 H new ATOM 658 N GLY A 329 -3.700 -3.206 -8.874 1.00 0.00 N ATOM 659 CA GLY A 329 -3.341 -1.872 -8.387 1.00 0.00 C ATOM 660 C GLY A 329 -4.472 -1.138 -7.669 1.00 0.00 C ATOM 661 O GLY A 329 -5.314 -1.785 -7.058 1.00 0.00 O ATOM 0 H GLY A 329 -4.555 -3.595 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 329 -2.494 -1.962 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 329 -3.010 -1.267 -9.231 1.00 0.00 H new ATOM 665 N GLU A 330 -4.607 0.186 -7.740 1.00 0.00 N ATOM 666 CA GLU A 330 -3.686 1.261 -8.159 1.00 0.00 C ATOM 667 C GLU A 330 -4.012 2.443 -7.235 1.00 0.00 C ATOM 668 O GLU A 330 -4.850 3.300 -7.528 1.00 0.00 O ATOM 669 CB GLU A 330 -3.823 1.701 -9.634 1.00 0.00 C ATOM 670 CG GLU A 330 -3.120 0.760 -10.618 1.00 0.00 C ATOM 671 CD GLU A 330 -2.747 1.393 -11.974 1.00 0.00 C ATOM 672 OE1 GLU A 330 -2.381 2.589 -12.029 1.00 0.00 O ATOM 673 OE2 GLU A 330 -2.630 0.656 -12.981 1.00 0.00 O ATOM 0 H GLU A 330 -5.499 0.597 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 330 -2.661 0.899 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 330 -4.881 1.759 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 330 -3.412 2.704 -9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 330 -2.212 0.381 -10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 330 -3.766 -0.099 -10.801 1.00 0.00 H new ATOM 680 N ALA A 331 -3.451 2.377 -6.034 1.00 0.00 N ATOM 681 CA ALA A 331 -4.105 2.799 -4.808 1.00 0.00 C ATOM 682 C ALA A 331 -3.131 3.521 -3.865 1.00 0.00 C ATOM 683 O ALA A 331 -1.910 3.428 -4.025 1.00 0.00 O ATOM 684 CB ALA A 331 -4.643 1.506 -4.192 1.00 0.00 C ATOM 0 H ALA A 331 -2.507 2.020 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 331 -4.900 3.521 -4.995 1.00 0.00 H new ATOM 0 HB1 ALA A 331 -5.155 1.734 -3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 331 -5.343 1.037 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 331 -3.815 0.825 -3.996 1.00 0.00 H new ATOM 690 N ASP A 332 -3.665 4.225 -2.867 1.00 0.00 N ATOM 691 CA ASP A 332 -2.872 5.084 -1.986 1.00 0.00 C ATOM 692 C ASP A 332 -3.422 5.108 -0.557 1.00 0.00 C ATOM 693 O ASP A 332 -4.615 4.927 -0.302 1.00 0.00 O ATOM 694 CB ASP A 332 -2.777 6.525 -2.536 1.00 0.00 C ATOM 695 CG ASP A 332 -1.663 6.777 -3.567 1.00 0.00 C ATOM 696 OD1 ASP A 332 -1.761 6.313 -4.730 1.00 0.00 O ATOM 697 OD2 ASP A 332 -0.709 7.515 -3.228 1.00 0.00 O ATOM 0 H ASP A 332 -4.661 4.216 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 332 -1.871 4.653 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 332 -3.733 6.783 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 332 -2.630 7.205 -1.697 1.00 0.00 H new ATOM 702 N VAL A 333 -2.520 5.330 0.396 1.00 0.00 N ATOM 703 CA VAL A 333 -2.778 5.091 1.819 1.00 0.00 C ATOM 704 C VAL A 333 -2.145 6.176 2.645 1.00 0.00 C ATOM 705 O VAL A 333 -1.052 6.635 2.340 1.00 0.00 O ATOM 706 CB VAL A 333 -2.300 3.693 2.262 1.00 0.00 C ATOM 707 CG1 VAL A 333 -2.195 2.689 1.126 1.00 0.00 C ATOM 708 CG2 VAL A 333 -0.986 3.581 3.014 1.00 0.00 C ATOM 0 H VAL A 333 -1.582 5.683 0.204 1.00 0.00 H new ATOM 0 HA VAL A 333 -3.856 5.117 1.978 1.00 0.00 H new ATOM 0 HB VAL A 333 -3.108 3.471 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 333 -1.853 1.731 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 333 -3.172 2.563 0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 333 -1.484 3.052 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 333 -0.792 2.536 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 333 -0.177 3.967 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 333 -1.044 4.160 3.936 1.00 0.00 H new ATOM 718 N GLU A 334 -2.852 6.607 3.673 1.00 0.00 N ATOM 719 CA GLU A 334 -2.708 7.942 4.232 1.00 0.00 C ATOM 720 C GLU A 334 -2.381 7.852 5.712 1.00 0.00 C ATOM 721 O GLU A 334 -3.198 7.403 6.508 1.00 0.00 O ATOM 722 CB GLU A 334 -4.010 8.708 4.002 1.00 0.00 C ATOM 723 CG GLU A 334 -3.879 9.804 2.944 1.00 0.00 C ATOM 724 CD GLU A 334 -5.198 10.548 2.696 1.00 0.00 C ATOM 725 OE1 GLU A 334 -5.814 11.069 3.655 1.00 0.00 O ATOM 726 OE2 GLU A 334 -5.661 10.585 1.532 1.00 0.00 O ATOM 0 H GLU A 334 -3.550 6.036 4.150 1.00 0.00 H new ATOM 0 HA GLU A 334 -1.890 8.471 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 334 -4.788 8.008 3.698 1.00 0.00 H new ATOM 0 HB3 GLU A 334 -4.333 9.155 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 334 -3.118 10.518 3.258 1.00 0.00 H new ATOM 0 HG3 GLU A 334 -3.535 9.362 2.009 1.00 0.00 H new ATOM 733 N PHE A 335 -1.166 8.245 6.069 1.00 0.00 N ATOM 734 CA PHE A 335 -0.476 7.767 7.266 1.00 0.00 C ATOM 735 C PHE A 335 -0.177 8.872 8.294 1.00 0.00 C ATOM 736 O PHE A 335 -0.270 10.065 7.999 1.00 0.00 O ATOM 737 CB PHE A 335 0.870 7.141 6.839 1.00 0.00 C ATOM 738 CG PHE A 335 0.870 5.684 6.427 1.00 0.00 C ATOM 739 CD1 PHE A 335 0.285 4.702 7.237 1.00 0.00 C ATOM 740 CD2 PHE A 335 1.589 5.282 5.293 1.00 0.00 C ATOM 741 CE1 PHE A 335 0.297 3.359 6.838 1.00 0.00 C ATOM 742 CE2 PHE A 335 1.579 3.942 4.870 1.00 0.00 C ATOM 743 CZ PHE A 335 0.877 2.988 5.619 1.00 0.00 C ATOM 0 H PHE A 335 -0.621 8.916 5.528 1.00 0.00 H new ATOM 0 HA PHE A 335 -1.142 7.049 7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 335 1.262 7.725 6.006 1.00 0.00 H new ATOM 0 HB3 PHE A 335 1.570 7.255 7.666 1.00 0.00 H new ATOM 0 HD1 PHE A 335 -0.177 4.981 8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 335 2.158 6.012 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 335 -0.144 2.606 7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 335 2.108 3.650 3.975 1.00 0.00 H new ATOM 0 HZ PHE A 335 0.784 1.974 5.259 1.00 0.00 H new ATOM 753 N ALA A 336 0.307 8.455 9.469 1.00 0.00 N ATOM 754 CA ALA A 336 1.015 9.280 10.434 1.00 0.00 C ATOM 755 C ALA A 336 2.518 9.417 10.119 1.00 0.00 C ATOM 756 O ALA A 336 3.396 9.062 10.914 1.00 0.00 O ATOM 757 CB ALA A 336 0.852 8.693 11.823 1.00 0.00 C ATOM 0 H ALA A 336 0.208 7.489 9.780 1.00 0.00 H new ATOM 0 HA ALA A 336 0.577 10.277 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 336 1.384 9.313 12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 336 -0.206 8.660 12.082 1.00 0.00 H new ATOM 0 HB3 ALA A 336 1.261 7.683 11.841 1.00 0.00 H new ATOM 763 N THR A 337 2.834 9.894 8.926 1.00 0.00 N ATOM 764 CA THR A 337 3.948 10.777 8.573 1.00 0.00 C ATOM 765 C THR A 337 4.835 10.127 7.528 1.00 0.00 C ATOM 766 O THR A 337 4.676 8.946 7.217 1.00 0.00 O ATOM 767 CB THR A 337 4.766 11.306 9.763 1.00 0.00 C ATOM 768 OG1 THR A 337 5.537 10.339 10.406 1.00 0.00 O ATOM 769 CG2 THR A 337 3.984 12.157 10.764 1.00 0.00 C ATOM 0 H THR A 337 2.274 9.657 8.107 1.00 0.00 H new ATOM 0 HA THR A 337 3.486 11.669 8.150 1.00 0.00 H new ATOM 0 HB THR A 337 5.462 11.989 9.277 1.00 0.00 H new ATOM 0 HG1 THR A 337 4.959 9.779 10.965 1.00 0.00 H new ATOM 0 HG21 THR A 337 4.649 12.481 11.564 1.00 0.00 H new ATOM 0 HG22 THR A 337 3.574 13.031 10.257 1.00 0.00 H new ATOM 0 HG23 THR A 337 3.170 11.567 11.185 1.00 0.00 H new ATOM 777 N HIS A 338 5.804 10.887 7.013 1.00 0.00 N ATOM 778 CA HIS A 338 6.942 10.312 6.307 1.00 0.00 C ATOM 779 C HIS A 338 7.527 9.155 7.115 1.00 0.00 C ATOM 780 O HIS A 338 7.760 8.106 6.559 1.00 0.00 O ATOM 781 CB HIS A 338 7.966 11.423 6.047 1.00 0.00 C ATOM 782 CG HIS A 338 9.280 10.963 5.470 1.00 0.00 C ATOM 783 ND1 HIS A 338 9.485 9.950 4.559 1.00 0.00 N ATOM 784 CD2 HIS A 338 10.509 11.477 5.784 1.00 0.00 C ATOM 785 CE1 HIS A 338 10.806 9.852 4.333 1.00 0.00 C ATOM 786 NE2 HIS A 338 11.477 10.768 5.057 1.00 0.00 N ATOM 0 H HIS A 338 5.819 11.905 7.074 1.00 0.00 H new ATOM 0 HA HIS A 338 6.634 9.900 5.346 1.00 0.00 H new ATOM 0 HB2 HIS A 338 7.524 12.151 5.367 1.00 0.00 H new ATOM 0 HB3 HIS A 338 8.161 11.942 6.985 1.00 0.00 H new ATOM 0 HD2 HIS A 338 10.700 12.287 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 338 11.265 9.139 3.665 1.00 0.00 H new ATOM 0 HE2 HIS A 338 12.486 10.916 5.073 1.00 0.00 H new ATOM 794 N GLU A 339 7.652 9.279 8.428 1.00 0.00 N ATOM 795 CA GLU A 339 8.160 8.259 9.340 1.00 0.00 C ATOM 796 C GLU A 339 7.254 7.012 9.479 1.00 0.00 C ATOM 797 O GLU A 339 7.779 5.896 9.523 1.00 0.00 O ATOM 798 CB GLU A 339 8.519 8.912 10.682 1.00 0.00 C ATOM 799 CG GLU A 339 9.641 9.945 10.491 1.00 0.00 C ATOM 800 CD GLU A 339 10.133 10.500 11.843 1.00 0.00 C ATOM 801 OE1 GLU A 339 10.932 9.819 12.531 1.00 0.00 O ATOM 802 OE2 GLU A 339 9.738 11.630 12.223 1.00 0.00 O ATOM 0 H GLU A 339 7.389 10.137 8.913 1.00 0.00 H new ATOM 0 HA GLU A 339 9.068 7.846 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 339 7.639 9.396 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 339 8.836 8.148 11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 339 10.474 9.485 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 339 9.281 10.765 9.869 1.00 0.00 H new ATOM 809 N GLU A 340 5.914 7.122 9.449 1.00 0.00 N ATOM 810 CA GLU A 340 5.038 5.949 9.295 1.00 0.00 C ATOM 811 C GLU A 340 5.209 5.265 7.928 1.00 0.00 C ATOM 812 O GLU A 340 5.334 4.048 7.812 1.00 0.00 O ATOM 813 CB GLU A 340 3.597 6.392 9.533 1.00 0.00 C ATOM 814 CG GLU A 340 2.492 5.345 9.459 1.00 0.00 C ATOM 815 CD GLU A 340 2.428 4.514 10.757 1.00 0.00 C ATOM 816 OE1 GLU A 340 3.458 3.971 11.218 1.00 0.00 O ATOM 817 OE2 GLU A 340 1.329 4.424 11.344 1.00 0.00 O ATOM 0 H GLU A 340 5.416 8.009 9.529 1.00 0.00 H new ATOM 0 HA GLU A 340 5.317 5.196 10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 340 3.551 6.853 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 340 3.365 7.170 8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 340 1.533 5.835 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 340 2.668 4.685 8.609 1.00 0.00 H new ATOM 824 N ALA A 341 5.263 6.075 6.881 1.00 0.00 N ATOM 825 CA ALA A 341 5.289 5.658 5.489 1.00 0.00 C ATOM 826 C ALA A 341 6.645 5.142 4.980 1.00 0.00 C ATOM 827 O ALA A 341 6.725 4.324 4.068 1.00 0.00 O ATOM 828 CB ALA A 341 4.923 6.916 4.744 1.00 0.00 C ATOM 0 H ALA A 341 5.291 7.089 6.985 1.00 0.00 H new ATOM 0 HA ALA A 341 4.619 4.810 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 341 4.912 6.714 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 341 3.935 7.252 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 341 5.656 7.693 4.960 1.00 0.00 H new ATOM 834 N VAL A 342 7.732 5.627 5.564 1.00 0.00 N ATOM 835 CA VAL A 342 9.116 5.236 5.288 1.00 0.00 C ATOM 836 C VAL A 342 9.463 3.962 6.034 1.00 0.00 C ATOM 837 O VAL A 342 10.246 3.141 5.557 1.00 0.00 O ATOM 838 CB VAL A 342 10.067 6.358 5.702 1.00 0.00 C ATOM 839 CG1 VAL A 342 10.340 6.458 7.189 1.00 0.00 C ATOM 840 CG2 VAL A 342 11.413 6.279 5.029 1.00 0.00 C ATOM 0 H VAL A 342 7.673 6.346 6.285 1.00 0.00 H new ATOM 0 HA VAL A 342 9.222 5.055 4.218 1.00 0.00 H new ATOM 0 HB VAL A 342 9.515 7.240 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 342 11.025 7.284 7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 342 9.404 6.634 7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 342 10.787 5.528 7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 342 12.038 7.105 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 342 11.892 5.333 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 342 11.284 6.341 3.948 1.00 0.00 H new ATOM 850 N ALA A 343 8.798 3.741 7.168 1.00 0.00 N ATOM 851 CA ALA A 343 8.790 2.406 7.738 1.00 0.00 C ATOM 852 C ALA A 343 8.050 1.432 6.803 1.00 0.00 C ATOM 853 O ALA A 343 8.472 0.286 6.659 1.00 0.00 O ATOM 854 CB ALA A 343 8.192 2.457 9.135 1.00 0.00 C ATOM 0 H ALA A 343 8.277 4.445 7.690 1.00 0.00 H new ATOM 0 HA ALA A 343 9.809 2.030 7.833 1.00 0.00 H new ATOM 0 HB1 ALA A 343 8.185 1.455 9.565 1.00 0.00 H new ATOM 0 HB2 ALA A 343 8.790 3.117 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 343 7.171 2.835 9.080 1.00 0.00 H new ATOM 860 N ALA A 344 7.037 1.913 6.070 1.00 0.00 N ATOM 861 CA ALA A 344 6.367 1.181 4.993 1.00 0.00 C ATOM 862 C ALA A 344 7.235 0.969 3.726 1.00 0.00 C ATOM 863 O ALA A 344 7.048 -0.010 3.010 1.00 0.00 O ATOM 864 CB ALA A 344 5.061 1.907 4.641 1.00 0.00 C ATOM 0 H ALA A 344 6.653 2.847 6.216 1.00 0.00 H new ATOM 0 HA ALA A 344 6.167 0.177 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 344 4.552 1.372 3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 344 4.417 1.943 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 344 5.286 2.922 4.314 1.00 0.00 H new ATOM 870 N MET A 345 8.218 1.833 3.451 1.00 0.00 N ATOM 871 CA MET A 345 9.161 1.684 2.318 1.00 0.00 C ATOM 872 C MET A 345 10.077 0.465 2.435 1.00 0.00 C ATOM 873 O MET A 345 10.316 -0.256 1.468 1.00 0.00 O ATOM 874 CB MET A 345 10.055 2.934 2.200 1.00 0.00 C ATOM 875 CG MET A 345 9.431 4.183 1.570 1.00 0.00 C ATOM 876 SD MET A 345 8.789 3.991 -0.112 1.00 0.00 S ATOM 877 CE MET A 345 7.198 3.231 0.291 1.00 0.00 C ATOM 0 H MET A 345 8.390 2.668 4.011 1.00 0.00 H new ATOM 0 HA MET A 345 8.535 1.552 1.436 1.00 0.00 H new ATOM 0 HB2 MET A 345 10.402 3.197 3.199 1.00 0.00 H new ATOM 0 HB3 MET A 345 10.936 2.666 1.617 1.00 0.00 H new ATOM 0 HG2 MET A 345 8.617 4.521 2.211 1.00 0.00 H new ATOM 0 HG3 MET A 345 10.180 4.975 1.563 1.00 0.00 H new ATOM 0 HE1 MET A 345 7.222 2.174 0.024 1.00 0.00 H new ATOM 0 HE2 MET A 345 7.007 3.332 1.359 1.00 0.00 H new ATOM 0 HE3 MET A 345 6.405 3.728 -0.268 1.00 0.00 H new ATOM 887 N SER A 346 10.574 0.238 3.646 1.00 0.00 N ATOM 888 CA SER A 346 11.798 -0.509 3.982 1.00 0.00 C ATOM 889 C SER A 346 11.726 -2.050 3.830 1.00 0.00 C ATOM 890 O SER A 346 12.465 -2.789 4.485 1.00 0.00 O ATOM 891 CB SER A 346 12.154 -0.038 5.397 1.00 0.00 C ATOM 892 OG SER A 346 13.460 -0.414 5.806 1.00 0.00 O ATOM 0 H SER A 346 10.107 0.592 4.481 1.00 0.00 H new ATOM 0 HA SER A 346 12.582 -0.291 3.257 1.00 0.00 H new ATOM 0 HB2 SER A 346 12.066 1.047 5.443 1.00 0.00 H new ATOM 0 HB3 SER A 346 11.429 -0.447 6.101 1.00 0.00 H new ATOM 0 HG SER A 346 13.647 -1.327 5.503 1.00 0.00 H new ATOM 898 N LYS A 347 10.800 -2.551 3.000 1.00 0.00 N ATOM 899 CA LYS A 347 10.613 -3.980 2.648 1.00 0.00 C ATOM 900 C LYS A 347 10.330 -4.289 1.175 1.00 0.00 C ATOM 901 O LYS A 347 10.638 -5.401 0.771 1.00 0.00 O ATOM 902 CB LYS A 347 9.542 -4.679 3.515 1.00 0.00 C ATOM 903 CG LYS A 347 8.097 -4.389 3.074 1.00 0.00 C ATOM 904 CD LYS A 347 7.704 -2.930 3.168 1.00 0.00 C ATOM 905 CE LYS A 347 7.567 -2.506 4.624 1.00 0.00 C ATOM 906 NZ LYS A 347 8.796 -2.021 5.291 1.00 0.00 N ATOM 0 H LYS A 347 10.125 -1.948 2.529 1.00 0.00 H new ATOM 0 HA LYS A 347 11.601 -4.386 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 347 9.711 -5.755 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 347 9.665 -4.364 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 347 7.968 -4.723 2.045 1.00 0.00 H new ATOM 0 HG3 LYS A 347 7.416 -4.978 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 347 8.454 -2.313 2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 347 6.761 -2.767 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 347 6.815 -1.719 4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 347 7.183 -3.354 5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 347 8.539 -1.390 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 347 9.334 -2.831 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 347 9.381 -1.501 4.606 1.00 0.00 H new ATOM 920 N ASP A 348 9.693 -3.359 0.451 1.00 0.00 N ATOM 921 CA ASP A 348 8.973 -3.412 -0.846 1.00 0.00 C ATOM 922 C ASP A 348 8.350 -4.717 -1.440 1.00 0.00 C ATOM 923 O ASP A 348 7.317 -4.645 -2.107 1.00 0.00 O ATOM 924 CB ASP A 348 9.818 -2.658 -1.890 1.00 0.00 C ATOM 925 CG ASP A 348 10.992 -3.451 -2.506 1.00 0.00 C ATOM 926 OD1 ASP A 348 11.340 -4.554 -2.036 1.00 0.00 O ATOM 927 OD2 ASP A 348 11.569 -3.003 -3.523 1.00 0.00 O ATOM 0 H ASP A 348 9.663 -2.405 0.811 1.00 0.00 H new ATOM 0 HA ASP A 348 8.025 -2.950 -0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 348 9.160 -2.334 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 348 10.218 -1.757 -1.424 1.00 0.00 H new ATOM 932 N ARG A 349 8.888 -5.915 -1.194 1.00 0.00 N ATOM 933 CA ARG A 349 8.468 -7.235 -1.723 1.00 0.00 C ATOM 934 C ARG A 349 7.015 -7.622 -1.462 1.00 0.00 C ATOM 935 O ARG A 349 6.473 -8.550 -2.056 1.00 0.00 O ATOM 936 CB ARG A 349 9.331 -8.321 -1.034 1.00 0.00 C ATOM 937 CG ARG A 349 10.832 -8.212 -1.256 1.00 0.00 C ATOM 938 CD ARG A 349 11.143 -8.325 -2.746 1.00 0.00 C ATOM 939 NE ARG A 349 11.359 -7.000 -3.364 1.00 0.00 N ATOM 940 CZ ARG A 349 11.685 -6.734 -4.613 1.00 0.00 C ATOM 941 NH1 ARG A 349 11.812 -7.674 -5.509 1.00 0.00 N ATOM 942 NH2 ARG A 349 11.894 -5.506 -4.985 1.00 0.00 N ATOM 0 H ARG A 349 9.692 -6.004 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 349 8.592 -7.163 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 349 9.138 -8.286 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 349 9.001 -9.298 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 349 11.198 -7.261 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 349 11.348 -8.999 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 349 12.032 -8.941 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 349 10.321 -8.832 -3.251 1.00 0.00 H new ATOM 0 HE ARG A 349 11.242 -6.194 -2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 349 11.658 -8.649 -5.251 1.00 0.00 H new ATOM 0 HH12 ARG A 349 12.066 -7.434 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 349 11.806 -4.747 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 349 12.146 -5.302 -5.952 1.00 0.00 H new ATOM 956 N ALA A 350 6.471 -7.136 -0.372 1.00 0.00 N ATOM 957 CA ALA A 350 6.489 -8.092 0.737 1.00 0.00 C ATOM 958 C ALA A 350 5.120 -8.701 1.074 1.00 0.00 C ATOM 959 O ALA A 350 4.793 -9.010 2.222 1.00 0.00 O ATOM 960 CB ALA A 350 7.151 -7.378 1.891 1.00 0.00 C ATOM 0 H ALA A 350 6.059 -6.215 -0.220 1.00 0.00 H new ATOM 0 HA ALA A 350 7.056 -8.981 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 350 7.195 -8.043 2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 350 8.162 -7.086 1.607 1.00 0.00 H new ATOM 0 HB3 ALA A 350 6.575 -6.489 2.147 1.00 0.00 H new ATOM 966 N ASN A 351 4.318 -8.839 0.028 1.00 0.00 N ATOM 967 CA ASN A 351 2.898 -9.087 0.073 1.00 0.00 C ATOM 968 C ASN A 351 2.523 -10.282 -0.795 1.00 0.00 C ATOM 969 O ASN A 351 2.039 -11.307 -0.315 1.00 0.00 O ATOM 970 CB ASN A 351 2.306 -7.792 -0.508 1.00 0.00 C ATOM 971 CG ASN A 351 0.800 -7.776 -0.679 1.00 0.00 C ATOM 972 OD1 ASN A 351 0.088 -8.760 -0.549 1.00 0.00 O ATOM 973 ND2 ASN A 351 0.276 -6.638 -1.037 1.00 0.00 N ATOM 0 H ASN A 351 4.669 -8.776 -0.927 1.00 0.00 H new ATOM 0 HA ASN A 351 2.536 -9.322 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 351 2.588 -6.962 0.140 1.00 0.00 H new ATOM 0 HB3 ASN A 351 2.765 -7.608 -1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 351 -0.727 -6.570 -1.208 1.00 0.00 H new ATOM 0 HD22 ASN A 351 0.869 -5.815 -1.146 1.00 0.00 H new ATOM 980 N MET A 352 2.692 -10.078 -2.099 1.00 0.00 N ATOM 981 CA MET A 352 1.648 -10.584 -3.007 1.00 0.00 C ATOM 982 C MET A 352 1.815 -12.040 -3.340 1.00 0.00 C ATOM 983 O MET A 352 0.872 -12.801 -3.141 1.00 0.00 O ATOM 984 CB MET A 352 1.268 -9.625 -4.139 1.00 0.00 C ATOM 985 CG MET A 352 2.287 -9.031 -5.110 1.00 0.00 C ATOM 986 SD MET A 352 2.892 -10.129 -6.419 1.00 0.00 S ATOM 987 CE MET A 352 1.487 -10.072 -7.566 1.00 0.00 C ATOM 0 H MET A 352 3.481 -9.601 -2.536 1.00 0.00 H new ATOM 0 HA MET A 352 0.714 -10.585 -2.445 1.00 0.00 H new ATOM 0 HB2 MET A 352 0.528 -10.145 -4.748 1.00 0.00 H new ATOM 0 HB3 MET A 352 0.760 -8.782 -3.671 1.00 0.00 H new ATOM 0 HG2 MET A 352 1.840 -8.154 -5.579 1.00 0.00 H new ATOM 0 HG3 MET A 352 3.144 -8.682 -4.534 1.00 0.00 H new ATOM 0 HE1 MET A 352 1.699 -10.699 -8.432 1.00 0.00 H new ATOM 0 HE2 MET A 352 0.592 -10.438 -7.063 1.00 0.00 H new ATOM 0 HE3 MET A 352 1.325 -9.045 -7.893 1.00 0.00 H new ATOM 997 N GLN A 353 3.009 -12.453 -3.725 1.00 0.00 N ATOM 998 CA GLN A 353 3.338 -13.852 -3.991 1.00 0.00 C ATOM 999 C GLN A 353 4.742 -14.136 -3.401 1.00 0.00 C ATOM 1000 O GLN A 353 5.490 -14.964 -3.925 1.00 0.00 O ATOM 1001 CB GLN A 353 3.187 -14.076 -5.513 1.00 0.00 C ATOM 1002 CG GLN A 353 1.820 -13.672 -6.120 1.00 0.00 C ATOM 1003 CD GLN A 353 0.641 -14.611 -5.829 1.00 0.00 C ATOM 1004 OE1 GLN A 353 0.594 -15.757 -6.259 1.00 0.00 O ATOM 1005 NE2 GLN A 353 -0.376 -14.134 -5.135 1.00 0.00 N ATOM 0 H GLN A 353 3.795 -11.818 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 353 2.673 -14.569 -3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 353 3.970 -13.515 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 353 3.360 -15.131 -5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 353 1.564 -12.678 -5.754 1.00 0.00 H new ATOM 0 HG3 GLN A 353 1.936 -13.593 -7.201 1.00 0.00 H new ATOM 0 HE21 GLN A 353 -0.344 -13.181 -4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 353 -1.193 -14.719 -4.960 1.00 0.00 H new ATOM 1014 N HIS A 354 5.095 -13.389 -2.333 1.00 0.00 N ATOM 1015 CA HIS A 354 6.443 -12.943 -1.931 1.00 0.00 C ATOM 1016 C HIS A 354 7.282 -12.406 -3.108 1.00 0.00 C ATOM 1017 O HIS A 354 7.601 -13.154 -4.034 1.00 0.00 O ATOM 1018 CB HIS A 354 7.179 -14.013 -1.116 1.00 0.00 C ATOM 1019 CG HIS A 354 8.504 -13.490 -0.616 1.00 0.00 C ATOM 1020 ND1 HIS A 354 9.740 -13.748 -1.167 1.00 0.00 N ATOM 1021 CD2 HIS A 354 8.690 -12.550 0.364 1.00 0.00 C ATOM 1022 CE1 HIS A 354 10.651 -12.990 -0.533 1.00 0.00 C ATOM 1023 NE2 HIS A 354 10.057 -12.240 0.412 1.00 0.00 N ATOM 0 H HIS A 354 4.387 -13.057 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 354 6.298 -12.088 -1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 354 6.563 -14.321 -0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 354 7.341 -14.898 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 354 7.920 -12.123 0.989 1.00 0.00 H new ATOM 0 HE1 HIS A 354 11.709 -12.984 -0.751 1.00 0.00 H new ATOM 0 HE2 HIS A 354 10.511 -11.577 1.040 1.00 0.00 H new ATOM 1031 N ARG A 355 7.593 -11.094 -3.093 1.00 0.00 N ATOM 1032 CA ARG A 355 7.605 -10.199 -4.283 1.00 0.00 C ATOM 1033 C ARG A 355 6.166 -9.998 -4.793 1.00 0.00 C ATOM 1034 O ARG A 355 5.382 -10.943 -4.759 1.00 0.00 O ATOM 1035 CB ARG A 355 8.671 -10.628 -5.339 1.00 0.00 C ATOM 1036 CG ARG A 355 8.350 -10.632 -6.854 1.00 0.00 C ATOM 1037 CD ARG A 355 7.168 -11.465 -7.386 1.00 0.00 C ATOM 1038 NE ARG A 355 7.067 -12.791 -6.750 1.00 0.00 N ATOM 1039 CZ ARG A 355 6.817 -13.960 -7.306 1.00 0.00 C ATOM 1040 NH1 ARG A 355 6.714 -14.121 -8.596 1.00 0.00 N ATOM 1041 NH2 ARG A 355 6.657 -15.008 -6.553 1.00 0.00 N ATOM 0 H ARG A 355 7.850 -10.609 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 355 7.951 -9.204 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 355 9.535 -9.978 -5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 355 8.987 -11.638 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 355 8.179 -9.598 -7.152 1.00 0.00 H new ATOM 0 HG3 ARG A 355 9.246 -10.970 -7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 355 6.240 -10.917 -7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 355 7.275 -11.592 -8.463 1.00 0.00 H new ATOM 0 HE ARG A 355 7.210 -12.806 -5.740 1.00 0.00 H new ATOM 0 HH11 ARG A 355 6.828 -13.322 -9.220 1.00 0.00 H new ATOM 0 HH12 ARG A 355 6.519 -15.045 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 355 6.725 -14.923 -5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 355 6.463 -15.915 -6.976 1.00 0.00 H new ATOM 1055 N TYR A 356 5.743 -8.823 -5.267 1.00 0.00 N ATOM 1056 CA TYR A 356 6.243 -7.448 -5.054 1.00 0.00 C ATOM 1057 C TYR A 356 5.139 -6.436 -5.359 1.00 0.00 C ATOM 1058 O TYR A 356 4.249 -6.690 -6.171 1.00 0.00 O ATOM 1059 CB TYR A 356 7.463 -7.162 -5.950 1.00 0.00 C ATOM 1060 CG TYR A 356 7.779 -5.696 -6.205 1.00 0.00 C ATOM 1061 CD1 TYR A 356 8.543 -4.956 -5.282 1.00 0.00 C ATOM 1062 CD2 TYR A 356 7.256 -5.057 -7.350 1.00 0.00 C ATOM 1063 CE1 TYR A 356 8.881 -3.618 -5.571 1.00 0.00 C ATOM 1064 CE2 TYR A 356 7.578 -3.716 -7.628 1.00 0.00 C ATOM 1065 CZ TYR A 356 8.411 -2.997 -6.747 1.00 0.00 C ATOM 1066 OH TYR A 356 8.729 -1.701 -7.021 1.00 0.00 O ATOM 0 H TYR A 356 4.937 -8.804 -5.891 1.00 0.00 H new ATOM 0 HA TYR A 356 6.546 -7.355 -4.011 1.00 0.00 H new ATOM 0 HB2 TYR A 356 8.338 -7.627 -5.496 1.00 0.00 H new ATOM 0 HB3 TYR A 356 7.304 -7.651 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 356 8.868 -5.411 -4.358 1.00 0.00 H new ATOM 0 HD2 TYR A 356 6.604 -5.601 -8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 356 9.505 -3.064 -4.886 1.00 0.00 H new ATOM 0 HE2 TYR A 356 7.188 -3.238 -8.515 1.00 0.00 H new ATOM 0 HH TYR A 356 8.321 -1.437 -7.872 1.00 0.00 H new ATOM 1076 N ILE A 357 5.248 -5.269 -4.724 1.00 0.00 N ATOM 1077 CA ILE A 357 4.385 -4.116 -4.935 1.00 0.00 C ATOM 1078 C ILE A 357 5.258 -2.875 -5.136 1.00 0.00 C ATOM 1079 O ILE A 357 6.239 -2.660 -4.424 1.00 0.00 O ATOM 1080 CB ILE A 357 3.483 -3.897 -3.709 1.00 0.00 C ATOM 1081 CG1 ILE A 357 2.751 -5.142 -3.170 1.00 0.00 C ATOM 1082 CG2 ILE A 357 2.495 -2.769 -4.030 1.00 0.00 C ATOM 1083 CD1 ILE A 357 1.643 -5.686 -4.064 1.00 0.00 C ATOM 0 H ILE A 357 5.969 -5.099 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 357 3.761 -4.290 -5.812 1.00 0.00 H new ATOM 0 HB ILE A 357 4.148 -3.629 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 357 3.484 -5.932 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 357 2.323 -4.899 -2.197 1.00 0.00 H new ATOM 0 HG21 ILE A 357 1.846 -2.599 -3.171 1.00 0.00 H new ATOM 0 HG22 ILE A 357 3.046 -1.856 -4.255 1.00 0.00 H new ATOM 0 HG23 ILE A 357 1.890 -3.050 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 357 1.193 -6.560 -3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 357 0.882 -4.919 -4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 357 2.061 -5.968 -5.030 1.00 0.00 H new ATOM 1095 N GLU A 358 4.843 -2.014 -6.057 1.00 0.00 N ATOM 1096 CA GLU A 358 5.360 -0.659 -6.250 1.00 0.00 C ATOM 1097 C GLU A 358 4.998 0.245 -5.073 1.00 0.00 C ATOM 1098 O GLU A 358 4.094 1.072 -5.176 1.00 0.00 O ATOM 1099 CB GLU A 358 4.862 -0.072 -7.591 1.00 0.00 C ATOM 1100 CG GLU A 358 5.281 -0.893 -8.818 1.00 0.00 C ATOM 1101 CD GLU A 358 4.601 -0.428 -10.125 1.00 0.00 C ATOM 1102 OE1 GLU A 358 4.396 0.793 -10.344 1.00 0.00 O ATOM 1103 OE2 GLU A 358 4.258 -1.298 -10.962 1.00 0.00 O ATOM 0 H GLU A 358 4.105 -2.249 -6.720 1.00 0.00 H new ATOM 0 HA GLU A 358 6.448 -0.713 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 358 3.775 -0.003 -7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 358 5.244 0.943 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 358 6.363 -0.830 -8.937 1.00 0.00 H new ATOM 0 HG3 GLU A 358 5.040 -1.942 -8.644 1.00 0.00 H new ATOM 1110 N LEU A 359 5.697 0.050 -3.952 1.00 0.00 N ATOM 1111 CA LEU A 359 5.625 0.856 -2.745 1.00 0.00 C ATOM 1112 C LEU A 359 6.512 2.105 -2.835 1.00 0.00 C ATOM 1113 O LEU A 359 7.740 1.988 -2.854 1.00 0.00 O ATOM 1114 CB LEU A 359 6.073 -0.044 -1.579 1.00 0.00 C ATOM 1115 CG LEU A 359 5.177 -1.248 -1.221 1.00 0.00 C ATOM 1116 CD1 LEU A 359 5.638 -1.789 0.127 1.00 0.00 C ATOM 1117 CD2 LEU A 359 3.711 -0.845 -1.345 1.00 0.00 C ATOM 0 H LEU A 359 6.363 -0.718 -3.864 1.00 0.00 H new ATOM 0 HA LEU A 359 4.607 1.217 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 359 7.068 -0.423 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 359 6.168 0.580 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 359 5.271 -2.084 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.021 -2.643 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.680 -2.102 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 359 5.543 -1.010 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.077 -1.695 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 359 3.501 -0.021 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.505 -0.531 -2.368 1.00 0.00 H new ATOM 1129 N PHE A 360 5.898 3.295 -2.864 1.00 0.00 N ATOM 1130 CA PHE A 360 6.607 4.570 -3.069 1.00 0.00 C ATOM 1131 C PHE A 360 5.989 5.764 -2.330 1.00 0.00 C ATOM 1132 O PHE A 360 4.808 6.087 -2.488 1.00 0.00 O ATOM 1133 CB PHE A 360 6.661 4.856 -4.573 1.00 0.00 C ATOM 1134 CG PHE A 360 7.589 3.929 -5.325 1.00 0.00 C ATOM 1135 CD1 PHE A 360 8.978 4.156 -5.310 1.00 0.00 C ATOM 1136 CD2 PHE A 360 7.071 2.788 -5.965 1.00 0.00 C ATOM 1137 CE1 PHE A 360 9.846 3.241 -5.930 1.00 0.00 C ATOM 1138 CE2 PHE A 360 7.939 1.879 -6.592 1.00 0.00 C ATOM 1139 CZ PHE A 360 9.327 2.104 -6.578 1.00 0.00 C ATOM 0 H PHE A 360 4.891 3.403 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 360 7.604 4.453 -2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 360 5.657 4.769 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 360 6.983 5.886 -4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 360 9.377 5.033 -4.822 1.00 0.00 H new ATOM 0 HD2 PHE A 360 6.006 2.611 -5.974 1.00 0.00 H new ATOM 0 HE1 PHE A 360 10.912 3.410 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE A 360 7.540 1.006 -7.086 1.00 0.00 H new ATOM 0 HZ PHE A 360 9.993 1.406 -7.063 1.00 0.00 H new ATOM 1149 N LEU A 361 6.825 6.461 -1.554 1.00 0.00 N ATOM 1150 CA LEU A 361 6.500 7.757 -0.950 1.00 0.00 C ATOM 1151 C LEU A 361 6.285 8.834 -2.004 1.00 0.00 C ATOM 1152 O LEU A 361 6.795 8.779 -3.127 1.00 0.00 O ATOM 1153 CB LEU A 361 7.650 8.267 -0.059 1.00 0.00 C ATOM 1154 CG LEU A 361 7.976 7.395 1.138 1.00 0.00 C ATOM 1155 CD1 LEU A 361 9.371 7.643 1.717 1.00 0.00 C ATOM 1156 CD2 LEU A 361 6.984 7.634 2.242 1.00 0.00 C ATOM 0 H LEU A 361 7.763 6.134 -1.324 1.00 0.00 H new ATOM 0 HA LEU A 361 5.592 7.587 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 361 8.546 8.365 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 361 7.397 9.265 0.297 1.00 0.00 H new ATOM 0 HG LEU A 361 7.934 6.370 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 361 9.533 6.984 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 361 10.123 7.441 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 361 9.452 8.681 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 361 7.230 7.002 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 361 7.021 8.681 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 361 5.981 7.393 1.889 1.00 0.00 H new ATOM 1168 N ASN A 362 5.582 9.868 -1.561 1.00 0.00 N ATOM 1169 CA ASN A 362 5.303 11.068 -2.335 1.00 0.00 C ATOM 1170 C ASN A 362 5.077 12.313 -1.447 1.00 0.00 C ATOM 1171 O ASN A 362 4.688 13.364 -1.963 1.00 0.00 O ATOM 1172 CB ASN A 362 4.094 10.703 -3.209 1.00 0.00 C ATOM 1173 CG ASN A 362 2.864 10.406 -2.379 1.00 0.00 C ATOM 1174 OD1 ASN A 362 2.280 11.283 -1.763 1.00 0.00 O ATOM 1175 ND2 ASN A 362 2.486 9.152 -2.278 1.00 0.00 N ATOM 0 H ASN A 362 5.178 9.894 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 362 6.153 11.363 -2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 362 3.880 11.524 -3.893 1.00 0.00 H new ATOM 0 HB3 ASN A 362 4.338 9.834 -3.820 1.00 0.00 H new ATOM 0 HD21 ASN A 362 1.698 8.904 -1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 362 2.981 8.427 -2.797 1.00 0.00 H new ATOM 1182 N SER A 363 5.285 12.199 -0.121 1.00 0.00 N ATOM 1183 CA SER A 363 4.609 13.099 0.847 1.00 0.00 C ATOM 1184 C SER A 363 5.464 13.667 2.000 1.00 0.00 C ATOM 1185 O SER A 363 6.605 13.262 2.228 1.00 0.00 O ATOM 1186 CB SER A 363 3.402 12.352 1.425 1.00 0.00 C ATOM 1187 OG SER A 363 2.214 12.621 0.707 1.00 0.00 O ATOM 0 H SER A 363 5.903 11.508 0.304 1.00 0.00 H new ATOM 0 HA SER A 363 4.339 13.984 0.271 1.00 0.00 H new ATOM 0 HB2 SER A 363 3.599 11.280 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 363 3.266 12.636 2.468 1.00 0.00 H new ATOM 0 HG SER A 363 2.233 12.142 -0.148 1.00 0.00 H new ATOM 1193 N THR A 364 4.878 14.621 2.737 1.00 0.00 N ATOM 1194 CA THR A 364 5.438 15.385 3.875 1.00 0.00 C ATOM 1195 C THR A 364 5.277 14.703 5.245 1.00 0.00 C ATOM 1196 O THR A 364 4.568 13.710 5.399 1.00 0.00 O ATOM 1197 CB THR A 364 4.762 16.781 3.976 1.00 0.00 C ATOM 1198 OG1 THR A 364 3.696 16.954 3.055 1.00 0.00 O ATOM 1199 CG2 THR A 364 5.773 17.895 3.711 1.00 0.00 C ATOM 0 H THR A 364 3.919 14.907 2.541 1.00 0.00 H new ATOM 0 HA THR A 364 6.504 15.456 3.658 1.00 0.00 H new ATOM 0 HB THR A 364 4.367 16.835 4.990 1.00 0.00 H new ATOM 0 HG1 THR A 364 3.309 17.848 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 364 5.277 18.862 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 364 6.576 17.840 4.446 1.00 0.00 H new ATOM 0 HG23 THR A 364 6.189 17.778 2.710 1.00 0.00 H new ATOM 1207 N THR A 365 5.910 15.251 6.285 1.00 0.00 N ATOM 1208 CA THR A 365 5.759 14.810 7.685 1.00 0.00 C ATOM 1209 C THR A 365 4.547 15.480 8.355 1.00 0.00 C ATOM 1210 O THR A 365 4.668 16.519 9.008 1.00 0.00 O ATOM 1211 CB THR A 365 7.065 15.054 8.468 1.00 0.00 C ATOM 1212 OG1 THR A 365 8.135 14.438 7.780 1.00 0.00 O ATOM 1213 CG2 THR A 365 7.059 14.450 9.871 1.00 0.00 C ATOM 0 H THR A 365 6.558 16.032 6.181 1.00 0.00 H new ATOM 0 HA THR A 365 5.565 13.737 7.692 1.00 0.00 H new ATOM 0 HB THR A 365 7.168 16.136 8.551 1.00 0.00 H new ATOM 0 HG1 THR A 365 8.970 14.590 8.270 1.00 0.00 H new ATOM 0 HG21 THR A 365 8.009 14.661 10.362 1.00 0.00 H new ATOM 0 HG22 THR A 365 6.246 14.886 10.451 1.00 0.00 H new ATOM 0 HG23 THR A 365 6.918 13.371 9.802 1.00 0.00 H new