USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 337 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 Single : A 349 SER OG : rot 180:sc= 0 USER MOD Single : A 350 MET CE :methyl -142:sc= -0.131 (180deg=-0.902) USER MOD Single : A 355 THR OG1 : rot 40:sc= 0.187 USER MOD Single : A 357 THR OG1 : rot 180:sc= 0 USER MOD Single : A 361 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 363 LYS NZ :NH3+ -149:sc= -0.345 (180deg=-1.66!) USER MOD Single : A 364 LYS NZ :NH3+ -118:sc= -1.23 (180deg=-3.31!) USER MOD Single : A 368 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.042) USER MOD Single : A 371 ASN : amide:sc= -0.212 K(o=-0.21,f=-1.1!) USER MOD Single : A 372 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 380 ASN : amide:sc= -1.6! C(o=-1.6!,f=-9.1!) USER MOD Single : A 381 THR OG1 : rot 122:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 345 -4.691 -12.589 5.053 1.00 0.00 N ATOM 2 CA GLY A 345 -4.883 -13.555 3.934 1.00 0.00 C ATOM 3 C GLY A 345 -3.619 -13.606 3.083 1.00 0.00 C ATOM 4 O GLY A 345 -3.477 -12.854 2.120 1.00 0.00 O ATOM 0 HA2 GLY A 345 -5.108 -14.546 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 345 -5.734 -13.255 3.322 1.00 0.00 H new ATOM 8 N PRO A 346 -2.708 -14.477 3.424 1.00 0.00 N ATOM 9 CA PRO A 346 -1.425 -14.637 2.683 1.00 0.00 C ATOM 10 C PRO A 346 -1.638 -14.720 1.174 1.00 0.00 C ATOM 11 O PRO A 346 -1.928 -15.790 0.637 1.00 0.00 O ATOM 12 CB PRO A 346 -0.853 -15.947 3.227 1.00 0.00 C ATOM 13 CG PRO A 346 -1.449 -16.108 4.586 1.00 0.00 C ATOM 14 CD PRO A 346 -2.808 -15.406 4.558 1.00 0.00 C ATOM 0 HA PRO A 346 -0.761 -13.785 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 346 -1.113 -16.787 2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 346 0.235 -15.909 3.278 1.00 0.00 H new ATOM 0 HG2 PRO A 346 -1.564 -17.163 4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 346 -0.803 -15.669 5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 346 -3.622 -16.118 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 346 -3.003 -14.877 5.491 1.00 0.00 H new ATOM 22 N LEU A 347 -1.495 -13.586 0.497 1.00 0.00 N ATOM 23 CA LEU A 347 -1.673 -13.542 -0.949 1.00 0.00 C ATOM 24 C LEU A 347 -3.032 -14.117 -1.338 1.00 0.00 C ATOM 25 O LEU A 347 -3.133 -15.274 -1.750 1.00 0.00 O ATOM 26 CB LEU A 347 -0.564 -14.340 -1.638 1.00 0.00 C ATOM 27 CG LEU A 347 0.756 -13.575 -1.530 1.00 0.00 C ATOM 28 CD1 LEU A 347 1.679 -14.285 -0.540 1.00 0.00 C ATOM 29 CD2 LEU A 347 1.427 -13.524 -2.905 1.00 0.00 C ATOM 0 H LEU A 347 -1.258 -12.690 0.923 1.00 0.00 H new ATOM 0 HA LEU A 347 -1.624 -12.502 -1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 347 -0.467 -15.322 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 347 -0.817 -14.505 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 347 0.561 -12.561 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 347 2.619 -13.739 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 347 1.201 -14.324 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 347 1.875 -15.299 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 347 2.368 -12.979 -2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 347 1.622 -14.539 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 347 0.770 -13.018 -3.612 1.00 0.00 H new ATOM 41 N GLY A 348 -4.074 -13.303 -1.205 1.00 0.00 N ATOM 42 CA GLY A 348 -5.422 -13.743 -1.546 1.00 0.00 C ATOM 43 C GLY A 348 -5.868 -13.149 -2.877 1.00 0.00 C ATOM 44 O GLY A 348 -5.601 -11.983 -3.169 1.00 0.00 O ATOM 0 H GLY A 348 -4.012 -12.343 -0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 348 -5.451 -14.831 -1.601 1.00 0.00 H new ATOM 0 HA3 GLY A 348 -6.116 -13.445 -0.760 1.00 0.00 H new ATOM 48 N SER A 349 -6.551 -13.958 -3.680 1.00 0.00 N ATOM 49 CA SER A 349 -7.030 -13.502 -4.981 1.00 0.00 C ATOM 50 C SER A 349 -8.542 -13.663 -5.079 1.00 0.00 C ATOM 51 O SER A 349 -9.096 -14.685 -4.676 1.00 0.00 O ATOM 52 CB SER A 349 -6.355 -14.302 -6.095 1.00 0.00 C ATOM 53 OG SER A 349 -5.365 -15.151 -5.530 1.00 0.00 O ATOM 0 H SER A 349 -6.784 -14.925 -3.456 1.00 0.00 H new ATOM 0 HA SER A 349 -6.781 -12.447 -5.091 1.00 0.00 H new ATOM 0 HB2 SER A 349 -7.095 -14.895 -6.632 1.00 0.00 H new ATOM 0 HB3 SER A 349 -5.901 -13.626 -6.820 1.00 0.00 H new ATOM 0 HG SER A 349 -4.931 -15.667 -6.242 1.00 0.00 H new ATOM 59 N MET A 350 -9.207 -12.646 -5.621 1.00 0.00 N ATOM 60 CA MET A 350 -10.657 -12.686 -5.771 1.00 0.00 C ATOM 61 C MET A 350 -11.162 -11.412 -6.441 1.00 0.00 C ATOM 62 O MET A 350 -10.577 -10.341 -6.285 1.00 0.00 O ATOM 63 CB MET A 350 -11.318 -12.839 -4.399 1.00 0.00 C ATOM 64 CG MET A 350 -12.254 -11.656 -4.149 1.00 0.00 C ATOM 65 SD MET A 350 -13.124 -11.896 -2.580 1.00 0.00 S ATOM 66 CE MET A 350 -14.242 -13.205 -3.137 1.00 0.00 C ATOM 0 H MET A 350 -8.768 -11.790 -5.961 1.00 0.00 H new ATOM 0 HA MET A 350 -10.916 -13.539 -6.398 1.00 0.00 H new ATOM 0 HB2 MET A 350 -11.877 -13.774 -4.355 1.00 0.00 H new ATOM 0 HB3 MET A 350 -10.557 -12.885 -3.620 1.00 0.00 H new ATOM 0 HG2 MET A 350 -11.684 -10.727 -4.123 1.00 0.00 H new ATOM 0 HG3 MET A 350 -12.971 -11.567 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 350 -15.221 -13.066 -2.679 1.00 0.00 H new ATOM 0 HE2 MET A 350 -14.339 -13.163 -4.222 1.00 0.00 H new ATOM 0 HE3 MET A 350 -13.840 -14.175 -2.846 1.00 0.00 H new ATOM 76 N PRO A 351 -12.232 -11.518 -7.181 1.00 0.00 N ATOM 77 CA PRO A 351 -12.838 -10.358 -7.895 1.00 0.00 C ATOM 78 C PRO A 351 -13.541 -9.396 -6.940 1.00 0.00 C ATOM 79 O PRO A 351 -13.663 -9.671 -5.747 1.00 0.00 O ATOM 80 CB PRO A 351 -13.837 -11.004 -8.854 1.00 0.00 C ATOM 81 CG PRO A 351 -14.195 -12.315 -8.234 1.00 0.00 C ATOM 82 CD PRO A 351 -12.984 -12.760 -7.413 1.00 0.00 C ATOM 0 HA PRO A 351 -12.087 -9.752 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 351 -14.719 -10.377 -8.983 1.00 0.00 H new ATOM 0 HB3 PRO A 351 -13.398 -11.144 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 351 -15.076 -12.215 -7.600 1.00 0.00 H new ATOM 0 HG3 PRO A 351 -14.435 -13.052 -9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 351 -13.287 -13.224 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 351 -12.385 -13.494 -7.952 1.00 0.00 H new ATOM 90 N LEU A 352 -14.002 -8.271 -7.474 1.00 0.00 N ATOM 91 CA LEU A 352 -14.692 -7.276 -6.660 1.00 0.00 C ATOM 92 C LEU A 352 -14.069 -7.198 -5.270 1.00 0.00 C ATOM 93 O LEU A 352 -14.483 -7.908 -4.354 1.00 0.00 O ATOM 94 CB LEU A 352 -16.174 -7.638 -6.538 1.00 0.00 C ATOM 95 CG LEU A 352 -17.017 -6.362 -6.598 1.00 0.00 C ATOM 96 CD1 LEU A 352 -16.472 -5.343 -5.597 1.00 0.00 C ATOM 97 CD2 LEU A 352 -16.949 -5.775 -8.010 1.00 0.00 C ATOM 0 H LEU A 352 -13.912 -8.025 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 352 -14.595 -6.305 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 352 -16.462 -8.315 -7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -16.355 -8.163 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 352 -18.052 -6.597 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -17.072 -4.434 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 352 -16.517 -5.761 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -15.437 -5.106 -5.845 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -17.549 -4.866 -8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -15.914 -5.539 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -17.336 -6.501 -8.725 1.00 0.00 H new ATOM 109 N LEU A 353 -13.073 -6.331 -5.120 1.00 0.00 N ATOM 110 CA LEU A 353 -12.402 -6.168 -3.840 1.00 0.00 C ATOM 111 C LEU A 353 -12.455 -4.714 -3.390 1.00 0.00 C ATOM 112 O LEU A 353 -11.600 -3.907 -3.754 1.00 0.00 O ATOM 113 CB LEU A 353 -10.946 -6.610 -3.955 1.00 0.00 C ATOM 114 CG LEU A 353 -10.513 -6.567 -5.422 1.00 0.00 C ATOM 115 CD1 LEU A 353 -8.988 -6.467 -5.501 1.00 0.00 C ATOM 116 CD2 LEU A 353 -10.976 -7.844 -6.127 1.00 0.00 C ATOM 0 H LEU A 353 -12.716 -5.734 -5.866 1.00 0.00 H new ATOM 0 HA LEU A 353 -12.914 -6.786 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 353 -10.309 -5.958 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 353 -10.829 -7.619 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 353 -10.960 -5.700 -5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 353 -8.679 -6.436 -6.546 1.00 0.00 H new ATOM 0 HD12 LEU A 353 -8.656 -5.559 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 353 -8.541 -7.335 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 353 -10.668 -7.815 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 353 -10.528 -8.711 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 353 -12.062 -7.917 -6.071 1.00 0.00 H new ATOM 128 N GLU A 354 -13.467 -4.388 -2.599 1.00 0.00 N ATOM 129 CA GLU A 354 -13.632 -3.028 -2.100 1.00 0.00 C ATOM 130 C GLU A 354 -13.020 -2.024 -3.070 1.00 0.00 C ATOM 131 O GLU A 354 -11.826 -1.733 -3.008 1.00 0.00 O ATOM 132 CB GLU A 354 -12.964 -2.890 -0.730 1.00 0.00 C ATOM 133 CG GLU A 354 -13.650 -1.777 0.064 1.00 0.00 C ATOM 134 CD GLU A 354 -12.640 -1.083 0.970 1.00 0.00 C ATOM 135 OE1 GLU A 354 -11.766 -0.413 0.444 1.00 0.00 O ATOM 136 OE2 GLU A 354 -12.756 -1.230 2.175 1.00 0.00 O ATOM 0 H GLU A 354 -14.185 -5.043 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 354 -14.698 -2.822 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 354 -13.029 -3.832 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 354 -11.905 -2.664 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 354 -14.095 -1.054 -0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 354 -14.461 -2.193 0.662 1.00 0.00 H new ATOM 143 N THR A 355 -13.846 -1.497 -3.968 1.00 0.00 N ATOM 144 CA THR A 355 -13.376 -0.527 -4.950 1.00 0.00 C ATOM 145 C THR A 355 -12.685 0.643 -4.256 1.00 0.00 C ATOM 146 O THR A 355 -13.255 1.273 -3.364 1.00 0.00 O ATOM 147 CB THR A 355 -14.555 -0.009 -5.778 1.00 0.00 C ATOM 148 OG1 THR A 355 -15.586 0.434 -4.906 1.00 0.00 O ATOM 149 CG2 THR A 355 -15.084 -1.131 -6.671 1.00 0.00 C ATOM 0 H THR A 355 -14.838 -1.724 -4.036 1.00 0.00 H new ATOM 0 HA THR A 355 -12.660 -1.020 -5.608 1.00 0.00 H new ATOM 0 HB THR A 355 -14.225 0.822 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 355 -15.190 0.909 -4.146 1.00 0.00 H new ATOM 0 HG21 THR A 355 -15.923 -0.762 -7.260 1.00 0.00 H new ATOM 0 HG22 THR A 355 -14.292 -1.468 -7.339 1.00 0.00 H new ATOM 0 HG23 THR A 355 -15.415 -1.964 -6.051 1.00 0.00 H new ATOM 157 N LEU A 356 -11.457 0.930 -4.674 1.00 0.00 N ATOM 158 CA LEU A 356 -10.697 2.026 -4.089 1.00 0.00 C ATOM 159 C LEU A 356 -10.532 3.160 -5.092 1.00 0.00 C ATOM 160 O LEU A 356 -11.265 3.241 -6.079 1.00 0.00 O ATOM 161 CB LEU A 356 -9.321 1.527 -3.651 1.00 0.00 C ATOM 162 CG LEU A 356 -9.462 0.164 -2.973 1.00 0.00 C ATOM 163 CD1 LEU A 356 -8.133 -0.589 -3.059 1.00 0.00 C ATOM 164 CD2 LEU A 356 -9.840 0.363 -1.503 1.00 0.00 C ATOM 0 H LEU A 356 -10.970 0.421 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 356 -11.242 2.401 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 356 -8.660 1.449 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 356 -8.866 2.241 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 356 -10.239 -0.412 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 356 -8.233 -1.561 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 356 -7.862 -0.730 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 356 -7.355 -0.013 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 356 -9.941 -0.608 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 356 -9.062 0.939 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 356 -10.787 0.900 -1.440 1.00 0.00 H new ATOM 176 N THR A 357 -9.567 4.030 -4.833 1.00 0.00 N ATOM 177 CA THR A 357 -9.309 5.160 -5.718 1.00 0.00 C ATOM 178 C THR A 357 -7.837 5.204 -6.113 1.00 0.00 C ATOM 179 O THR A 357 -7.095 4.247 -5.892 1.00 0.00 O ATOM 180 CB THR A 357 -9.691 6.467 -5.021 1.00 0.00 C ATOM 181 OG1 THR A 357 -9.293 6.410 -3.658 1.00 0.00 O ATOM 182 CG2 THR A 357 -11.206 6.667 -5.103 1.00 0.00 C ATOM 0 H THR A 357 -8.951 3.977 -4.021 1.00 0.00 H new ATOM 0 HA THR A 357 -9.912 5.039 -6.618 1.00 0.00 H new ATOM 0 HB THR A 357 -9.189 7.301 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 357 -9.536 7.248 -3.211 1.00 0.00 H new ATOM 0 HG21 THR A 357 -11.477 7.598 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A 357 -11.511 6.711 -6.148 1.00 0.00 H new ATOM 0 HG23 THR A 357 -11.710 5.834 -4.613 1.00 0.00 H new ATOM 190 N ASP A 358 -7.421 6.321 -6.701 1.00 0.00 N ATOM 191 CA ASP A 358 -6.035 6.479 -7.125 1.00 0.00 C ATOM 192 C ASP A 358 -5.127 6.697 -5.920 1.00 0.00 C ATOM 193 O ASP A 358 -3.937 6.385 -5.960 1.00 0.00 O ATOM 194 CB ASP A 358 -5.912 7.667 -8.081 1.00 0.00 C ATOM 195 CG ASP A 358 -5.311 7.211 -9.407 1.00 0.00 C ATOM 196 OD1 ASP A 358 -4.508 7.948 -9.955 1.00 0.00 O ATOM 197 OD2 ASP A 358 -5.665 6.134 -9.854 1.00 0.00 O ATOM 0 H ASP A 358 -8.019 7.125 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 358 -5.727 5.568 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 358 -6.893 8.111 -8.251 1.00 0.00 H new ATOM 0 HB3 ASP A 358 -5.286 8.440 -7.635 1.00 0.00 H new ATOM 202 N ALA A 359 -5.702 7.232 -4.853 1.00 0.00 N ATOM 203 CA ALA A 359 -4.943 7.489 -3.635 1.00 0.00 C ATOM 204 C ALA A 359 -4.563 6.180 -2.951 1.00 0.00 C ATOM 205 O ALA A 359 -3.408 5.976 -2.578 1.00 0.00 O ATOM 206 CB ALA A 359 -5.771 8.347 -2.676 1.00 0.00 C ATOM 0 H ALA A 359 -6.686 7.496 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 359 -4.031 8.021 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 359 -5.197 8.535 -1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 359 -6.014 9.296 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 359 -6.692 7.822 -2.421 1.00 0.00 H new ATOM 212 N GLU A 360 -5.544 5.297 -2.790 1.00 0.00 N ATOM 213 CA GLU A 360 -5.301 4.011 -2.151 1.00 0.00 C ATOM 214 C GLU A 360 -4.279 3.200 -2.942 1.00 0.00 C ATOM 215 O GLU A 360 -3.351 2.627 -2.372 1.00 0.00 O ATOM 216 CB GLU A 360 -6.607 3.229 -2.047 1.00 0.00 C ATOM 217 CG GLU A 360 -7.320 3.595 -0.745 1.00 0.00 C ATOM 218 CD GLU A 360 -7.776 2.331 -0.025 1.00 0.00 C ATOM 219 OE1 GLU A 360 -6.921 1.573 0.400 1.00 0.00 O ATOM 220 OE2 GLU A 360 -8.976 2.139 0.092 1.00 0.00 O ATOM 0 H GLU A 360 -6.507 5.448 -3.091 1.00 0.00 H new ATOM 0 HA GLU A 360 -4.904 4.192 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 360 -7.247 3.455 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 360 -6.405 2.158 -2.075 1.00 0.00 H new ATOM 0 HG2 GLU A 360 -6.650 4.167 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 360 -8.179 4.232 -0.958 1.00 0.00 H new ATOM 227 N MET A 361 -4.459 3.157 -4.258 1.00 0.00 N ATOM 228 CA MET A 361 -3.546 2.414 -5.119 1.00 0.00 C ATOM 229 C MET A 361 -2.135 2.986 -5.025 1.00 0.00 C ATOM 230 O MET A 361 -1.170 2.251 -4.822 1.00 0.00 O ATOM 231 CB MET A 361 -4.028 2.476 -6.570 1.00 0.00 C ATOM 232 CG MET A 361 -5.186 1.497 -6.766 1.00 0.00 C ATOM 233 SD MET A 361 -5.072 0.749 -8.410 1.00 0.00 S ATOM 234 CE MET A 361 -5.250 -0.974 -7.889 1.00 0.00 C ATOM 0 H MET A 361 -5.222 3.624 -4.748 1.00 0.00 H new ATOM 0 HA MET A 361 -3.528 1.376 -4.787 1.00 0.00 H new ATOM 0 HB2 MET A 361 -4.349 3.489 -6.815 1.00 0.00 H new ATOM 0 HB3 MET A 361 -3.210 2.228 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 361 -5.155 0.723 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 361 -6.138 2.016 -6.656 1.00 0.00 H new ATOM 0 HE1 MET A 361 -5.208 -1.624 -8.763 1.00 0.00 H new ATOM 0 HE2 MET A 361 -4.442 -1.233 -7.205 1.00 0.00 H new ATOM 0 HE3 MET A 361 -6.208 -1.105 -7.385 1.00 0.00 H new ATOM 244 N GLU A 362 -2.026 4.302 -5.171 1.00 0.00 N ATOM 245 CA GLU A 362 -0.729 4.963 -5.100 1.00 0.00 C ATOM 246 C GLU A 362 -0.136 4.828 -3.701 1.00 0.00 C ATOM 247 O GLU A 362 1.083 4.793 -3.535 1.00 0.00 O ATOM 248 CB GLU A 362 -0.877 6.445 -5.452 1.00 0.00 C ATOM 249 CG GLU A 362 -1.307 6.582 -6.914 1.00 0.00 C ATOM 250 CD GLU A 362 -1.643 8.037 -7.224 1.00 0.00 C ATOM 251 OE1 GLU A 362 -2.815 8.332 -7.388 1.00 0.00 O ATOM 252 OE2 GLU A 362 -0.723 8.834 -7.295 1.00 0.00 O ATOM 0 H GLU A 362 -2.814 4.928 -5.338 1.00 0.00 H new ATOM 0 HA GLU A 362 -0.059 4.485 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 362 -1.614 6.913 -4.800 1.00 0.00 H new ATOM 0 HB3 GLU A 362 0.067 6.964 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 362 -0.508 6.237 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 362 -2.174 5.951 -7.107 1.00 0.00 H new ATOM 259 N LYS A 363 -1.006 4.750 -2.700 1.00 0.00 N ATOM 260 CA LYS A 363 -0.557 4.618 -1.318 1.00 0.00 C ATOM 261 C LYS A 363 0.122 3.268 -1.105 1.00 0.00 C ATOM 262 O LYS A 363 1.222 3.196 -0.557 1.00 0.00 O ATOM 263 CB LYS A 363 -1.747 4.751 -0.368 1.00 0.00 C ATOM 264 CG LYS A 363 -1.448 5.826 0.678 1.00 0.00 C ATOM 265 CD LYS A 363 -0.783 5.182 1.897 1.00 0.00 C ATOM 266 CE LYS A 363 0.037 6.233 2.647 1.00 0.00 C ATOM 267 NZ LYS A 363 1.033 6.841 1.719 1.00 0.00 N ATOM 0 H LYS A 363 -2.019 4.776 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 363 0.162 5.410 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 363 -2.645 5.013 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 363 -1.943 3.797 0.121 1.00 0.00 H new ATOM 0 HG2 LYS A 363 -0.794 6.589 0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 363 -2.370 6.326 0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 363 -1.541 4.758 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 363 -0.140 4.361 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 363 -0.620 7.004 3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 363 0.546 5.775 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 363 1.881 7.120 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 363 1.296 6.148 0.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 363 0.618 7.680 1.266 1.00 0.00 H new ATOM 281 N LYS A 364 -0.542 2.202 -1.537 1.00 0.00 N ATOM 282 CA LYS A 364 0.005 0.860 -1.387 1.00 0.00 C ATOM 283 C LYS A 364 1.229 0.678 -2.278 1.00 0.00 C ATOM 284 O LYS A 364 2.283 0.236 -1.821 1.00 0.00 O ATOM 285 CB LYS A 364 -1.054 -0.181 -1.752 1.00 0.00 C ATOM 286 CG LYS A 364 -2.284 0.007 -0.863 1.00 0.00 C ATOM 287 CD LYS A 364 -3.327 -1.060 -1.200 1.00 0.00 C ATOM 288 CE LYS A 364 -3.423 -1.220 -2.718 1.00 0.00 C ATOM 289 NZ LYS A 364 -2.450 -2.253 -3.173 1.00 0.00 N ATOM 0 H LYS A 364 -1.454 2.241 -1.991 1.00 0.00 H new ATOM 0 HA LYS A 364 0.303 0.724 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 364 -1.332 -0.080 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 364 -0.650 -1.186 -1.625 1.00 0.00 H new ATOM 0 HG2 LYS A 364 -2.001 -0.065 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 364 -2.705 1.001 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 364 -3.053 -2.010 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 364 -4.297 -0.777 -0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 364 -4.435 -1.510 -3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 364 -3.215 -0.269 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 364 -1.758 -1.819 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 364 -1.955 -2.650 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 364 -2.957 -3.012 -3.671 1.00 0.00 H new ATOM 303 N ILE A 365 1.082 1.024 -3.553 1.00 0.00 N ATOM 304 CA ILE A 365 2.183 0.895 -4.502 1.00 0.00 C ATOM 305 C ILE A 365 3.390 1.697 -4.033 1.00 0.00 C ATOM 306 O ILE A 365 4.527 1.233 -4.116 1.00 0.00 O ATOM 307 CB ILE A 365 1.743 1.386 -5.878 1.00 0.00 C ATOM 308 CG1 ILE A 365 0.807 0.355 -6.514 1.00 0.00 C ATOM 309 CG2 ILE A 365 2.971 1.577 -6.770 1.00 0.00 C ATOM 310 CD1 ILE A 365 0.799 0.539 -8.032 1.00 0.00 C ATOM 0 H ILE A 365 0.218 1.393 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 365 2.464 -0.156 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 365 1.219 2.336 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 365 1.134 -0.653 -6.261 1.00 0.00 H new ATOM 0 HG13 ILE A 365 -0.202 0.471 -6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 365 2.656 1.928 -7.753 1.00 0.00 H new ATOM 0 HG22 ILE A 365 3.638 2.312 -6.319 1.00 0.00 H new ATOM 0 HG23 ILE A 365 3.496 0.627 -6.875 1.00 0.00 H new ATOM 0 HD11 ILE A 365 0.132 -0.195 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 365 0.451 1.543 -8.275 1.00 0.00 H new ATOM 0 HD13 ILE A 365 1.808 0.401 -8.421 1.00 0.00 H new ATOM 322 N ARG A 366 3.137 2.905 -3.540 1.00 0.00 N ATOM 323 CA ARG A 366 4.211 3.765 -3.062 1.00 0.00 C ATOM 324 C ARG A 366 4.890 3.147 -1.843 1.00 0.00 C ATOM 325 O ARG A 366 6.117 3.101 -1.760 1.00 0.00 O ATOM 326 CB ARG A 366 3.654 5.142 -2.693 1.00 0.00 C ATOM 327 CG ARG A 366 3.551 6.004 -3.952 1.00 0.00 C ATOM 328 CD ARG A 366 3.598 7.484 -3.564 1.00 0.00 C ATOM 329 NE ARG A 366 4.945 7.853 -3.145 1.00 0.00 N ATOM 330 CZ ARG A 366 5.958 7.848 -4.004 1.00 0.00 C ATOM 331 NH1 ARG A 366 5.757 7.509 -5.248 1.00 0.00 N ATOM 332 NH2 ARG A 366 7.156 8.183 -3.605 1.00 0.00 N ATOM 0 H ARG A 366 2.203 3.308 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 366 4.946 3.872 -3.859 1.00 0.00 H new ATOM 0 HB2 ARG A 366 2.673 5.037 -2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 366 4.302 5.624 -1.961 1.00 0.00 H new ATOM 0 HG2 ARG A 366 4.369 5.770 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 366 2.623 5.785 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 366 3.291 8.099 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 366 2.892 7.678 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 366 5.112 8.120 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 366 4.822 7.248 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 366 6.535 7.505 -5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 366 7.314 8.449 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 366 7.933 8.179 -4.265 1.00 0.00 H new ATOM 346 N ASP A 367 4.082 2.673 -0.903 1.00 0.00 N ATOM 347 CA ASP A 367 4.614 2.058 0.308 1.00 0.00 C ATOM 348 C ASP A 367 5.356 0.770 -0.028 1.00 0.00 C ATOM 349 O ASP A 367 6.461 0.532 0.461 1.00 0.00 O ATOM 350 CB ASP A 367 3.475 1.754 1.283 1.00 0.00 C ATOM 351 CG ASP A 367 4.021 1.647 2.704 1.00 0.00 C ATOM 352 OD1 ASP A 367 3.586 2.417 3.543 1.00 0.00 O ATOM 353 OD2 ASP A 367 4.866 0.798 2.930 1.00 0.00 O ATOM 0 H ASP A 367 3.064 2.702 -0.954 1.00 0.00 H new ATOM 0 HA ASP A 367 5.312 2.756 0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 367 2.722 2.540 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 367 2.983 0.823 1.002 1.00 0.00 H new ATOM 358 N GLN A 368 4.744 -0.059 -0.867 1.00 0.00 N ATOM 359 CA GLN A 368 5.358 -1.322 -1.261 1.00 0.00 C ATOM 360 C GLN A 368 6.601 -1.069 -2.105 1.00 0.00 C ATOM 361 O GLN A 368 7.523 -1.884 -2.132 1.00 0.00 O ATOM 362 CB GLN A 368 4.360 -2.165 -2.058 1.00 0.00 C ATOM 363 CG GLN A 368 3.843 -3.306 -1.181 1.00 0.00 C ATOM 364 CD GLN A 368 3.021 -4.279 -2.022 1.00 0.00 C ATOM 365 OE1 GLN A 368 2.331 -5.140 -1.477 1.00 0.00 O ATOM 366 NE2 GLN A 368 3.054 -4.190 -3.323 1.00 0.00 N ATOM 0 H GLN A 368 3.830 0.119 -1.285 1.00 0.00 H new ATOM 0 HA GLN A 368 5.646 -1.861 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 368 3.529 -1.544 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 368 4.838 -2.567 -2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 368 4.680 -3.829 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 368 3.232 -2.906 -0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 368 3.627 -3.475 -3.771 1.00 0.00 H new ATOM 0 HE22 GLN A 368 2.507 -4.835 -3.892 1.00 0.00 H new ATOM 375 N ASP A 369 6.618 0.068 -2.789 1.00 0.00 N ATOM 376 CA ASP A 369 7.752 0.427 -3.630 1.00 0.00 C ATOM 377 C ASP A 369 8.927 0.883 -2.775 1.00 0.00 C ATOM 378 O ASP A 369 10.081 0.552 -3.053 1.00 0.00 O ATOM 379 CB ASP A 369 7.356 1.546 -4.595 1.00 0.00 C ATOM 380 CG ASP A 369 6.813 0.950 -5.890 1.00 0.00 C ATOM 381 OD1 ASP A 369 7.209 -0.156 -6.221 1.00 0.00 O ATOM 382 OD2 ASP A 369 6.013 1.609 -6.533 1.00 0.00 O ATOM 0 H ASP A 369 5.863 0.754 -2.778 1.00 0.00 H new ATOM 0 HA ASP A 369 8.050 -0.453 -4.200 1.00 0.00 H new ATOM 0 HB2 ASP A 369 6.602 2.185 -4.135 1.00 0.00 H new ATOM 0 HB3 ASP A 369 8.220 2.176 -4.809 1.00 0.00 H new ATOM 387 N ARG A 370 8.625 1.645 -1.731 1.00 0.00 N ATOM 388 CA ARG A 370 9.661 2.144 -0.835 1.00 0.00 C ATOM 389 C ARG A 370 10.217 1.011 0.020 1.00 0.00 C ATOM 390 O ARG A 370 11.412 0.975 0.320 1.00 0.00 O ATOM 391 CB ARG A 370 9.085 3.235 0.073 1.00 0.00 C ATOM 392 CG ARG A 370 9.482 4.609 -0.469 1.00 0.00 C ATOM 393 CD ARG A 370 10.784 5.064 0.195 1.00 0.00 C ATOM 394 NE ARG A 370 10.855 6.521 0.220 1.00 0.00 N ATOM 395 CZ ARG A 370 10.115 7.231 1.065 1.00 0.00 C ATOM 396 NH1 ARG A 370 9.307 6.626 1.893 1.00 0.00 N ATOM 397 NH2 ARG A 370 10.197 8.532 1.069 1.00 0.00 N ATOM 0 H ARG A 370 7.677 1.930 -1.485 1.00 0.00 H new ATOM 0 HA ARG A 370 10.468 2.561 -1.437 1.00 0.00 H new ATOM 0 HB2 ARG A 370 7.999 3.150 0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 370 9.458 3.111 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 370 9.610 4.562 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 370 8.690 5.332 -0.273 1.00 0.00 H new ATOM 0 HD2 ARG A 370 10.839 4.673 1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 370 11.638 4.660 -0.349 1.00 0.00 H new ATOM 0 HE ARG A 370 11.484 7.003 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 370 9.244 5.608 1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 370 8.739 7.171 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 370 10.829 9.005 0.423 1.00 0.00 H new ATOM 0 HH22 ARG A 370 9.629 9.077 1.718 1.00 0.00 H new ATOM 411 N ASN A 371 9.346 0.086 0.408 1.00 0.00 N ATOM 412 CA ASN A 371 9.762 -1.047 1.225 1.00 0.00 C ATOM 413 C ASN A 371 10.591 -2.026 0.401 1.00 0.00 C ATOM 414 O ASN A 371 11.677 -2.435 0.812 1.00 0.00 O ATOM 415 CB ASN A 371 8.533 -1.763 1.791 1.00 0.00 C ATOM 416 CG ASN A 371 8.322 -1.364 3.247 1.00 0.00 C ATOM 417 OD1 ASN A 371 9.286 -1.209 3.996 1.00 0.00 O ATOM 418 ND2 ASN A 371 7.109 -1.188 3.696 1.00 0.00 N ATOM 0 H ASN A 371 8.354 0.098 0.172 1.00 0.00 H new ATOM 0 HA ASN A 371 10.374 -0.674 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 371 7.651 -1.508 1.204 1.00 0.00 H new ATOM 0 HB3 ASN A 371 8.664 -2.842 1.716 1.00 0.00 H new ATOM 0 HD21 ASN A 371 6.959 -0.922 4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 371 6.311 -1.317 3.074 1.00 0.00 H new ATOM 425 N THR A 372 10.072 -2.397 -0.766 1.00 0.00 N ATOM 426 CA THR A 372 10.776 -3.328 -1.639 1.00 0.00 C ATOM 427 C THR A 372 12.114 -2.743 -2.078 1.00 0.00 C ATOM 428 O THR A 372 13.142 -3.417 -2.031 1.00 0.00 O ATOM 429 CB THR A 372 9.923 -3.634 -2.873 1.00 0.00 C ATOM 430 OG1 THR A 372 9.424 -4.962 -2.784 1.00 0.00 O ATOM 431 CG2 THR A 372 10.775 -3.490 -4.135 1.00 0.00 C ATOM 0 H THR A 372 9.175 -2.070 -1.126 1.00 0.00 H new ATOM 0 HA THR A 372 10.958 -4.249 -1.085 1.00 0.00 H new ATOM 0 HB THR A 372 9.089 -2.934 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 372 8.876 -5.159 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 372 10.166 -3.708 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 372 11.156 -2.471 -4.202 1.00 0.00 H new ATOM 0 HG23 THR A 372 11.611 -4.188 -4.091 1.00 0.00 H new ATOM 439 N ARG A 373 12.093 -1.482 -2.500 1.00 0.00 N ATOM 440 CA ARG A 373 13.312 -0.815 -2.942 1.00 0.00 C ATOM 441 C ARG A 373 14.272 -0.628 -1.771 1.00 0.00 C ATOM 442 O ARG A 373 15.487 -0.752 -1.925 1.00 0.00 O ATOM 443 CB ARG A 373 12.972 0.547 -3.549 1.00 0.00 C ATOM 444 CG ARG A 373 12.540 0.364 -5.005 1.00 0.00 C ATOM 445 CD ARG A 373 13.696 0.737 -5.932 1.00 0.00 C ATOM 446 NE ARG A 373 13.185 1.263 -7.192 1.00 0.00 N ATOM 447 CZ ARG A 373 12.589 0.468 -8.076 1.00 0.00 C ATOM 448 NH1 ARG A 373 12.454 -0.805 -7.822 1.00 0.00 N ATOM 449 NH2 ARG A 373 12.138 0.962 -9.197 1.00 0.00 N ATOM 0 H ARG A 373 11.252 -0.906 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 373 13.793 -1.437 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 373 12.174 1.022 -2.979 1.00 0.00 H new ATOM 0 HB3 ARG A 373 13.838 1.207 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 373 12.240 -0.669 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 373 11.673 0.988 -5.219 1.00 0.00 H new ATOM 0 HD2 ARG A 373 14.332 1.480 -5.451 1.00 0.00 H new ATOM 0 HD3 ARG A 373 14.317 -0.139 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 373 13.286 2.257 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 373 12.806 -1.190 -6.945 1.00 0.00 H new ATOM 0 HH12 ARG A 373 11.997 -1.415 -8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 373 12.243 1.957 -9.395 1.00 0.00 H new ATOM 0 HH22 ARG A 373 11.681 0.353 -9.875 1.00 0.00 H new ATOM 463 N ARG A 374 13.717 -0.331 -0.600 1.00 0.00 N ATOM 464 CA ARG A 374 14.534 -0.129 0.590 1.00 0.00 C ATOM 465 C ARG A 374 15.292 -1.407 0.940 1.00 0.00 C ATOM 466 O ARG A 374 16.472 -1.365 1.287 1.00 0.00 O ATOM 467 CB ARG A 374 13.649 0.280 1.769 1.00 0.00 C ATOM 468 CG ARG A 374 13.629 1.805 1.888 1.00 0.00 C ATOM 469 CD ARG A 374 14.906 2.278 2.585 1.00 0.00 C ATOM 470 NE ARG A 374 14.574 3.051 3.776 1.00 0.00 N ATOM 471 CZ ARG A 374 15.426 3.149 4.793 1.00 0.00 C ATOM 472 NH1 ARG A 374 16.583 2.547 4.733 1.00 0.00 N ATOM 473 NH2 ARG A 374 15.106 3.845 5.848 1.00 0.00 N ATOM 0 H ARG A 374 12.714 -0.226 -0.451 1.00 0.00 H new ATOM 0 HA ARG A 374 15.253 0.664 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 374 12.637 -0.097 1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 374 14.026 -0.162 2.691 1.00 0.00 H new ATOM 0 HG2 ARG A 374 13.553 2.257 0.899 1.00 0.00 H new ATOM 0 HG3 ARG A 374 12.753 2.125 2.453 1.00 0.00 H new ATOM 0 HD2 ARG A 374 15.519 1.419 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 374 15.498 2.886 1.901 1.00 0.00 H new ATOM 0 HE ARG A 374 13.672 3.525 3.830 1.00 0.00 H new ATOM 0 HH11 ARG A 374 16.832 2.003 3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 374 17.237 2.621 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 374 14.202 4.315 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 374 15.760 3.920 6.627 1.00 0.00 H new ATOM 487 N MET A 375 14.604 -2.541 0.844 1.00 0.00 N ATOM 488 CA MET A 375 15.224 -3.824 1.152 1.00 0.00 C ATOM 489 C MET A 375 16.075 -4.300 -0.019 1.00 0.00 C ATOM 490 O MET A 375 17.012 -5.079 0.157 1.00 0.00 O ATOM 491 CB MET A 375 14.146 -4.866 1.461 1.00 0.00 C ATOM 492 CG MET A 375 13.734 -4.755 2.928 1.00 0.00 C ATOM 493 SD MET A 375 12.855 -6.258 3.424 1.00 0.00 S ATOM 494 CE MET A 375 13.594 -6.419 5.068 1.00 0.00 C ATOM 0 H MET A 375 13.626 -2.597 0.558 1.00 0.00 H new ATOM 0 HA MET A 375 15.865 -3.697 2.025 1.00 0.00 H new ATOM 0 HB2 MET A 375 13.281 -4.711 0.817 1.00 0.00 H new ATOM 0 HB3 MET A 375 14.523 -5.867 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 375 14.615 -4.613 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 375 13.096 -3.883 3.073 1.00 0.00 H new ATOM 0 HE1 MET A 375 13.187 -7.300 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 375 14.675 -6.523 4.972 1.00 0.00 H new ATOM 0 HE3 MET A 375 13.366 -5.531 5.658 1.00 0.00 H new ATOM 504 N ARG A 376 15.744 -3.822 -1.211 1.00 0.00 N ATOM 505 CA ARG A 376 16.484 -4.200 -2.410 1.00 0.00 C ATOM 506 C ARG A 376 17.841 -3.505 -2.442 1.00 0.00 C ATOM 507 O ARG A 376 18.818 -4.054 -2.950 1.00 0.00 O ATOM 508 CB ARG A 376 15.684 -3.826 -3.660 1.00 0.00 C ATOM 509 CG ARG A 376 16.201 -2.501 -4.224 1.00 0.00 C ATOM 510 CD ARG A 376 17.479 -2.752 -5.028 1.00 0.00 C ATOM 511 NE ARG A 376 17.299 -2.317 -6.409 1.00 0.00 N ATOM 512 CZ ARG A 376 16.753 -3.121 -7.316 1.00 0.00 C ATOM 513 NH1 ARG A 376 16.367 -4.321 -6.977 1.00 0.00 N ATOM 514 NH2 ARG A 376 16.600 -2.710 -8.546 1.00 0.00 N ATOM 0 H ARG A 376 14.972 -3.175 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 376 16.642 -5.278 -2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 376 15.774 -4.612 -4.410 1.00 0.00 H new ATOM 0 HB3 ARG A 376 14.626 -3.740 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 376 15.443 -2.044 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 376 16.401 -1.801 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 376 18.313 -2.215 -4.576 1.00 0.00 H new ATOM 0 HD3 ARG A 376 17.731 -3.812 -5.003 1.00 0.00 H new ATOM 0 HE ARG A 376 17.597 -1.381 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 376 16.484 -4.642 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 376 15.948 -4.938 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 376 16.900 -1.772 -8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 376 16.181 -3.327 -9.242 1.00 0.00 H new ATOM 528 N ARG A 377 17.894 -2.295 -1.894 1.00 0.00 N ATOM 529 CA ARG A 377 19.137 -1.534 -1.865 1.00 0.00 C ATOM 530 C ARG A 377 20.126 -2.161 -0.889 1.00 0.00 C ATOM 531 O ARG A 377 21.331 -1.928 -0.972 1.00 0.00 O ATOM 532 CB ARG A 377 18.857 -0.086 -1.456 1.00 0.00 C ATOM 533 CG ARG A 377 18.605 -0.022 0.052 1.00 0.00 C ATOM 534 CD ARG A 377 19.839 0.548 0.752 1.00 0.00 C ATOM 535 NE ARG A 377 20.182 1.848 0.189 1.00 0.00 N ATOM 536 CZ ARG A 377 20.778 2.781 0.926 1.00 0.00 C ATOM 537 NH1 ARG A 377 21.065 2.541 2.175 1.00 0.00 N ATOM 538 NH2 ARG A 377 21.078 3.937 0.399 1.00 0.00 N ATOM 0 H ARG A 377 17.097 -1.824 -1.467 1.00 0.00 H new ATOM 0 HA ARG A 377 19.572 -1.548 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 377 19.703 0.548 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 377 17.991 0.295 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 377 17.735 0.602 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 377 18.383 -1.017 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 377 19.647 0.646 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 377 20.679 -0.138 0.640 1.00 0.00 H new ATOM 0 HE ARG A 377 19.961 2.046 -0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 377 20.832 1.637 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 377 21.522 3.257 2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 377 20.855 4.125 -0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 377 21.535 4.652 0.965 1.00 0.00 H new ATOM 552 N LEU A 378 19.603 -2.955 0.034 1.00 0.00 N ATOM 553 CA LEU A 378 20.441 -3.616 1.027 1.00 0.00 C ATOM 554 C LEU A 378 21.587 -4.361 0.349 1.00 0.00 C ATOM 555 O LEU A 378 22.488 -3.746 -0.221 1.00 0.00 O ATOM 556 CB LEU A 378 19.602 -4.595 1.850 1.00 0.00 C ATOM 557 CG LEU A 378 18.530 -3.824 2.624 1.00 0.00 C ATOM 558 CD1 LEU A 378 17.547 -4.810 3.254 1.00 0.00 C ATOM 559 CD2 LEU A 378 19.195 -2.995 3.725 1.00 0.00 C ATOM 0 H LEU A 378 18.607 -3.157 0.117 1.00 0.00 H new ATOM 0 HA LEU A 378 20.860 -2.857 1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 378 19.134 -5.330 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 378 20.240 -5.145 2.542 1.00 0.00 H new ATOM 0 HG LEU A 378 17.995 -3.163 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 378 16.784 -4.261 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 378 17.074 -5.402 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 378 18.082 -5.471 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 378 18.433 -2.445 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 378 19.730 -3.657 4.406 1.00 0.00 H new ATOM 0 HD23 LEU A 378 19.897 -2.291 3.277 1.00 0.00 H new ATOM 571 N ALA A 379 21.550 -5.689 0.416 1.00 0.00 N ATOM 572 CA ALA A 379 22.592 -6.505 -0.195 1.00 0.00 C ATOM 573 C ALA A 379 21.985 -7.513 -1.165 1.00 0.00 C ATOM 574 O ALA A 379 21.629 -8.626 -0.775 1.00 0.00 O ATOM 575 CB ALA A 379 23.381 -7.244 0.888 1.00 0.00 C ATOM 0 H ALA A 379 20.815 -6.219 0.884 1.00 0.00 H new ATOM 0 HA ALA A 379 23.264 -5.848 -0.747 1.00 0.00 H new ATOM 0 HB1 ALA A 379 24.157 -7.851 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 379 23.841 -6.520 1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 379 22.707 -7.888 1.454 1.00 0.00 H new ATOM 581 N ASN A 380 21.869 -7.117 -2.428 1.00 0.00 N ATOM 582 CA ASN A 380 21.302 -7.996 -3.444 1.00 0.00 C ATOM 583 C ASN A 380 20.281 -8.944 -2.824 1.00 0.00 C ATOM 584 O ASN A 380 20.568 -10.119 -2.595 1.00 0.00 O ATOM 585 CB ASN A 380 22.414 -8.807 -4.113 1.00 0.00 C ATOM 586 CG ASN A 380 23.581 -7.895 -4.472 1.00 0.00 C ATOM 587 OD1 ASN A 380 23.790 -6.868 -3.825 1.00 0.00 O ATOM 588 ND2 ASN A 380 24.359 -8.209 -5.471 1.00 0.00 N ATOM 0 H ASN A 380 22.157 -6.201 -2.771 1.00 0.00 H new ATOM 0 HA ASN A 380 20.802 -7.380 -4.191 1.00 0.00 H new ATOM 0 HB2 ASN A 380 22.752 -9.597 -3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 380 22.032 -9.292 -5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 380 25.142 -7.604 -5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 380 24.184 -9.060 -6.006 1.00 0.00 H new ATOM 595 N THR A 381 19.087 -8.425 -2.555 1.00 0.00 N ATOM 596 CA THR A 381 18.030 -9.235 -1.962 1.00 0.00 C ATOM 597 C THR A 381 16.827 -9.318 -2.897 1.00 0.00 C ATOM 598 O THR A 381 15.688 -9.442 -2.449 1.00 0.00 O ATOM 599 CB THR A 381 17.597 -8.632 -0.624 1.00 0.00 C ATOM 600 OG1 THR A 381 18.189 -7.348 -0.473 1.00 0.00 O ATOM 601 CG2 THR A 381 18.049 -9.542 0.519 1.00 0.00 C ATOM 0 H THR A 381 18.829 -7.455 -2.737 1.00 0.00 H new ATOM 0 HA THR A 381 18.419 -10.240 -1.799 1.00 0.00 H new ATOM 0 HB THR A 381 16.511 -8.538 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 381 17.486 -6.677 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 381 17.740 -9.111 1.471 1.00 0.00 H new ATOM 0 HG22 THR A 381 17.595 -10.526 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 381 19.135 -9.638 0.500 1.00 0.00 H new ATOM 609 N ALA A 382 17.091 -9.245 -4.198 1.00 0.00 N ATOM 610 CA ALA A 382 16.023 -9.312 -5.188 1.00 0.00 C ATOM 611 C ALA A 382 16.144 -10.582 -6.024 1.00 0.00 C ATOM 612 O ALA A 382 16.772 -10.584 -7.084 1.00 0.00 O ATOM 613 CB ALA A 382 16.081 -8.088 -6.104 1.00 0.00 C ATOM 0 H ALA A 382 18.027 -9.140 -4.588 1.00 0.00 H new ATOM 0 HA ALA A 382 15.068 -9.327 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 382 15.280 -8.146 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 382 15.962 -7.182 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 382 17.043 -8.062 -6.616 1.00 0.00 H new ATOM 619 N PRO A 383 15.559 -11.654 -5.566 1.00 0.00 N ATOM 620 CA PRO A 383 15.596 -12.963 -6.277 1.00 0.00 C ATOM 621 C PRO A 383 14.715 -12.966 -7.523 1.00 0.00 C ATOM 622 O PRO A 383 14.362 -11.910 -8.048 1.00 0.00 O ATOM 623 CB PRO A 383 15.074 -13.958 -5.236 1.00 0.00 C ATOM 624 CG PRO A 383 14.226 -13.152 -4.307 1.00 0.00 C ATOM 625 CD PRO A 383 14.793 -11.730 -4.312 1.00 0.00 C ATOM 0 HA PRO A 383 16.596 -13.204 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 383 14.495 -14.752 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 383 15.896 -14.436 -4.703 1.00 0.00 H new ATOM 0 HG2 PRO A 383 13.186 -13.155 -4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 383 14.246 -13.573 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 383 13.999 -10.984 -4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 383 15.429 -11.551 -3.445 1.00 0.00 H new ATOM 633 N ALA A 384 14.363 -14.159 -7.991 1.00 0.00 N ATOM 634 CA ALA A 384 13.523 -14.288 -9.176 1.00 0.00 C ATOM 635 C ALA A 384 13.871 -13.210 -10.198 1.00 0.00 C ATOM 636 O ALA A 384 13.062 -12.330 -10.487 1.00 0.00 O ATOM 637 CB ALA A 384 12.048 -14.167 -8.787 1.00 0.00 C ATOM 0 H ALA A 384 14.644 -15.045 -7.571 1.00 0.00 H new ATOM 0 HA ALA A 384 13.702 -15.267 -9.621 1.00 0.00 H new ATOM 0 HB1 ALA A 384 11.428 -14.264 -9.678 1.00 0.00 H new ATOM 0 HB2 ALA A 384 11.793 -14.955 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 384 11.872 -13.195 -8.327 1.00 0.00 H new ATOM 643 N TRP A 385 15.082 -13.286 -10.741 1.00 0.00 N ATOM 644 CA TRP A 385 15.527 -12.313 -11.731 1.00 0.00 C ATOM 645 C TRP A 385 15.292 -12.836 -13.144 1.00 0.00 C ATOM 646 O TRP A 385 14.980 -12.035 -14.009 1.00 0.00 O ATOM 647 CB TRP A 385 17.015 -12.012 -11.537 1.00 0.00 C ATOM 648 CG TRP A 385 17.402 -10.844 -12.385 1.00 0.00 C ATOM 649 CD1 TRP A 385 18.180 -10.910 -13.490 1.00 0.00 C ATOM 650 CD2 TRP A 385 17.047 -9.440 -12.219 1.00 0.00 C ATOM 651 NE1 TRP A 385 18.324 -9.637 -14.012 1.00 0.00 N ATOM 652 CE2 TRP A 385 17.644 -8.697 -13.264 1.00 0.00 C ATOM 653 CE3 TRP A 385 16.272 -8.748 -11.271 1.00 0.00 C ATOM 654 CZ2 TRP A 385 17.479 -7.315 -13.366 1.00 0.00 C ATOM 655 CZ3 TRP A 385 16.103 -7.357 -11.370 1.00 0.00 C ATOM 656 CH2 TRP A 385 16.706 -6.642 -12.416 1.00 0.00 C ATOM 0 H TRP A 385 15.768 -14.006 -10.514 1.00 0.00 H new ATOM 0 HA TRP A 385 14.950 -11.398 -11.595 1.00 0.00 H new ATOM 0 HB2 TRP A 385 17.220 -11.797 -10.488 1.00 0.00 H new ATOM 0 HB3 TRP A 385 17.611 -12.884 -11.806 1.00 0.00 H new ATOM 0 HD1 TRP A 385 18.617 -11.809 -13.898 1.00 0.00 H new ATOM 0 HE1 TRP A 385 18.867 -9.419 -14.848 1.00 0.00 H new ATOM 0 HE3 TRP A 385 15.804 -9.289 -10.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 17.945 -6.770 -14.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 15.506 -6.835 -10.637 1.00 0.00 H new ATOM 0 HH2 TRP A 385 16.573 -5.573 -12.487 1.00 0.00 H new TER 667 TRP A 385