USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 730 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 385 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 389 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 SER OG : rot 180:sc= 0 USER MOD Single : A 376 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 379 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 382 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 392 TYR OH : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 LYS NZ :NH3+ -135:sc= -0.855 (180deg=-2.39!) USER MOD Single : A 405 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 TYR OH : rot 180:sc= -0.826 USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0.0008 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 428 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 431 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 GLN : amide:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 439 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 444 LYS NZ :NH3+ 155:sc= -1.66! (180deg=-2.59!) USER MOD Single : A 446 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.001) USER MOD Single : A 451 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.148) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 371 -4.222 35.936 -16.697 1.00 0.00 N ATOM 2 CA GLY A 371 -3.740 35.225 -15.481 1.00 0.00 C ATOM 3 C GLY A 371 -4.865 34.879 -14.526 1.00 0.00 C ATOM 4 O GLY A 371 -4.651 34.761 -13.320 1.00 0.00 O ATOM 0 HA2 GLY A 371 -3.226 34.311 -15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 371 -3.009 35.848 -14.966 1.00 0.00 H new ATOM 10 N SER A 372 -6.068 34.716 -15.066 1.00 0.00 N ATOM 11 CA SER A 372 -7.232 34.381 -14.255 1.00 0.00 C ATOM 12 C SER A 372 -7.062 33.012 -13.600 1.00 0.00 C ATOM 13 O SER A 372 -7.064 32.897 -12.374 1.00 0.00 O ATOM 14 CB SER A 372 -8.500 34.398 -15.110 1.00 0.00 C ATOM 15 OG SER A 372 -9.144 35.659 -15.043 1.00 0.00 O ATOM 0 H SER A 372 -6.262 34.811 -16.063 1.00 0.00 H new ATOM 0 HA SER A 372 -7.324 35.131 -13.470 1.00 0.00 H new ATOM 0 HB2 SER A 372 -8.247 34.170 -16.145 1.00 0.00 H new ATOM 0 HB3 SER A 372 -9.182 33.619 -14.770 1.00 0.00 H new ATOM 0 HG SER A 372 -9.951 35.644 -15.599 1.00 0.00 H new ATOM 21 N PRO A 373 -6.911 31.949 -14.412 1.00 0.00 N ATOM 22 CA PRO A 373 -6.738 30.588 -13.900 1.00 0.00 C ATOM 23 C PRO A 373 -5.371 30.380 -13.259 1.00 0.00 C ATOM 24 O PRO A 373 -4.641 31.338 -13.007 1.00 0.00 O ATOM 25 CB PRO A 373 -6.882 29.718 -15.151 1.00 0.00 C ATOM 26 CG PRO A 373 -6.470 30.603 -16.274 1.00 0.00 C ATOM 27 CD PRO A 373 -6.896 31.994 -15.887 1.00 0.00 C ATOM 0 HA PRO A 373 -7.457 30.352 -13.116 1.00 0.00 H new ATOM 0 HB2 PRO A 373 -6.250 28.832 -15.092 1.00 0.00 H new ATOM 0 HB3 PRO A 373 -7.907 29.370 -15.276 1.00 0.00 H new ATOM 0 HG2 PRO A 373 -5.393 30.555 -16.433 1.00 0.00 H new ATOM 0 HG3 PRO A 373 -6.944 30.296 -17.206 1.00 0.00 H new ATOM 0 HD2 PRO A 373 -6.200 32.746 -16.259 1.00 0.00 H new ATOM 0 HD3 PRO A 373 -7.878 32.241 -16.292 1.00 0.00 H new ATOM 35 N GLU A 374 -5.032 29.123 -12.993 1.00 0.00 N ATOM 36 CA GLU A 374 -3.752 28.791 -12.378 1.00 0.00 C ATOM 37 C GLU A 374 -3.191 27.490 -12.943 1.00 0.00 C ATOM 38 O GLU A 374 -1.996 27.388 -13.221 1.00 0.00 O ATOM 39 CB GLU A 374 -3.911 28.673 -10.861 1.00 0.00 C ATOM 40 CG GLU A 374 -4.112 30.011 -10.166 1.00 0.00 C ATOM 41 CD GLU A 374 -5.539 30.211 -9.690 1.00 0.00 C ATOM 42 OE1 GLU A 374 -6.465 30.076 -10.517 1.00 0.00 O ATOM 43 OE2 GLU A 374 -5.729 30.502 -8.491 1.00 0.00 O ATOM 0 H GLU A 374 -5.625 28.318 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 374 -3.051 29.594 -12.606 1.00 0.00 H new ATOM 0 HB2 GLU A 374 -4.761 28.027 -10.642 1.00 0.00 H new ATOM 0 HB3 GLU A 374 -3.027 28.187 -10.448 1.00 0.00 H new ATOM 0 HG2 GLU A 374 -3.435 30.079 -9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 374 -3.845 30.816 -10.851 1.00 0.00 H new ATOM 50 N PHE A 375 -4.059 26.497 -13.110 1.00 0.00 N ATOM 51 CA PHE A 375 -3.651 25.201 -13.639 1.00 0.00 C ATOM 52 C PHE A 375 -2.723 24.487 -12.664 1.00 0.00 C ATOM 53 O PHE A 375 -1.499 24.577 -12.772 1.00 0.00 O ATOM 54 CB PHE A 375 -2.965 25.368 -14.998 1.00 0.00 C ATOM 55 CG PHE A 375 -3.643 24.613 -16.106 1.00 0.00 C ATOM 56 CD1 PHE A 375 -3.311 23.293 -16.366 1.00 0.00 C ATOM 57 CD2 PHE A 375 -4.612 25.224 -16.885 1.00 0.00 C ATOM 58 CE1 PHE A 375 -3.934 22.596 -17.383 1.00 0.00 C ATOM 59 CE2 PHE A 375 -5.239 24.531 -17.904 1.00 0.00 C ATOM 60 CZ PHE A 375 -4.900 23.216 -18.153 1.00 0.00 C ATOM 0 H PHE A 375 -5.052 26.566 -12.886 1.00 0.00 H new ATOM 0 HA PHE A 375 -4.545 24.592 -13.772 1.00 0.00 H new ATOM 0 HB2 PHE A 375 -2.937 26.427 -15.255 1.00 0.00 H new ATOM 0 HB3 PHE A 375 -1.931 25.031 -14.919 1.00 0.00 H new ATOM 0 HD1 PHE A 375 -2.557 22.804 -15.767 1.00 0.00 H new ATOM 0 HD2 PHE A 375 -4.881 26.253 -16.694 1.00 0.00 H new ATOM 0 HE1 PHE A 375 -3.667 21.568 -17.576 1.00 0.00 H new ATOM 0 HE2 PHE A 375 -5.993 25.018 -18.505 1.00 0.00 H new ATOM 0 HZ PHE A 375 -5.389 22.673 -18.948 1.00 0.00 H new ATOM 70 N THR A 376 -3.316 23.775 -11.710 1.00 0.00 N ATOM 71 CA THR A 376 -2.554 23.038 -10.707 1.00 0.00 C ATOM 72 C THR A 376 -1.891 23.989 -9.710 1.00 0.00 C ATOM 73 O THR A 376 -1.350 25.026 -10.091 1.00 0.00 O ATOM 74 CB THR A 376 -1.493 22.160 -11.374 1.00 0.00 C ATOM 75 OG1 THR A 376 -1.896 21.793 -12.681 1.00 0.00 O ATOM 76 CG2 THR A 376 -1.205 20.888 -10.608 1.00 0.00 C ATOM 0 H THR A 376 -4.328 23.693 -11.611 1.00 0.00 H new ATOM 0 HA THR A 376 -3.251 22.400 -10.164 1.00 0.00 H new ATOM 0 HB THR A 376 -0.587 22.766 -11.396 1.00 0.00 H new ATOM 0 HG1 THR A 376 -1.204 21.233 -13.092 1.00 0.00 H new ATOM 0 HG21 THR A 376 -0.444 20.311 -11.134 1.00 0.00 H new ATOM 0 HG22 THR A 376 -0.845 21.138 -9.610 1.00 0.00 H new ATOM 0 HG23 THR A 376 -2.118 20.297 -10.527 1.00 0.00 H new ATOM 84 N PRO A 377 -1.927 23.641 -8.410 1.00 0.00 N ATOM 85 CA PRO A 377 -1.329 24.459 -7.344 1.00 0.00 C ATOM 86 C PRO A 377 0.200 24.419 -7.361 1.00 0.00 C ATOM 87 O PRO A 377 0.800 23.816 -8.250 1.00 0.00 O ATOM 88 CB PRO A 377 -1.860 23.796 -6.076 1.00 0.00 C ATOM 89 CG PRO A 377 -2.050 22.374 -6.468 1.00 0.00 C ATOM 90 CD PRO A 377 -2.553 22.416 -7.872 1.00 0.00 C ATOM 0 HA PRO A 377 -1.583 25.514 -7.442 1.00 0.00 H new ATOM 0 HB2 PRO A 377 -1.155 23.892 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 377 -2.796 24.249 -5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 377 -1.114 21.819 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 377 -2.762 21.876 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 377 -2.256 21.530 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 377 -3.641 22.468 -7.910 1.00 0.00 H new ATOM 98 N PRO A 378 0.853 25.070 -6.378 1.00 0.00 N ATOM 99 CA PRO A 378 2.304 25.113 -6.284 1.00 0.00 C ATOM 100 C PRO A 378 2.885 23.990 -5.421 1.00 0.00 C ATOM 101 O PRO A 378 3.465 23.038 -5.944 1.00 0.00 O ATOM 102 CB PRO A 378 2.559 26.479 -5.642 1.00 0.00 C ATOM 103 CG PRO A 378 1.302 26.831 -4.899 1.00 0.00 C ATOM 104 CD PRO A 378 0.236 25.830 -5.285 1.00 0.00 C ATOM 0 HA PRO A 378 2.781 24.976 -7.255 1.00 0.00 H new ATOM 0 HB2 PRO A 378 3.413 26.439 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 378 2.787 27.229 -6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 378 1.476 26.807 -3.823 1.00 0.00 H new ATOM 0 HG3 PRO A 378 0.983 27.843 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -0.029 25.184 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -0.680 26.325 -5.608 1.00 0.00 H new ATOM 112 N SER A 379 2.745 24.111 -4.100 1.00 0.00 N ATOM 113 CA SER A 379 3.278 23.105 -3.182 1.00 0.00 C ATOM 114 C SER A 379 2.362 21.895 -3.075 1.00 0.00 C ATOM 115 O SER A 379 2.811 20.791 -2.765 1.00 0.00 O ATOM 116 CB SER A 379 3.518 23.713 -1.798 1.00 0.00 C ATOM 117 OG SER A 379 4.051 22.751 -0.904 1.00 0.00 O ATOM 0 H SER A 379 2.270 24.890 -3.645 1.00 0.00 H new ATOM 0 HA SER A 379 4.230 22.764 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 379 4.204 24.556 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 379 2.581 24.103 -1.401 1.00 0.00 H new ATOM 0 HG SER A 379 4.197 23.164 -0.027 1.00 0.00 H new ATOM 123 N ILE A 380 1.088 22.094 -3.366 1.00 0.00 N ATOM 124 CA ILE A 380 0.124 21.007 -3.338 1.00 0.00 C ATOM 125 C ILE A 380 0.563 19.916 -4.312 1.00 0.00 C ATOM 126 O ILE A 380 0.255 18.739 -4.127 1.00 0.00 O ATOM 127 CB ILE A 380 -1.309 21.481 -3.678 1.00 0.00 C ATOM 128 CG1 ILE A 380 -1.888 22.298 -2.520 1.00 0.00 C ATOM 129 CG2 ILE A 380 -2.216 20.294 -3.987 1.00 0.00 C ATOM 130 CD1 ILE A 380 -1.093 23.544 -2.194 1.00 0.00 C ATOM 0 H ILE A 380 0.696 23.000 -3.625 1.00 0.00 H new ATOM 0 HA ILE A 380 0.095 20.613 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 380 -1.256 22.112 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 380 -2.911 22.585 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 380 -1.938 21.668 -1.632 1.00 0.00 H new ATOM 0 HG21 ILE A 380 -3.218 20.653 -4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 380 -1.818 19.744 -4.840 1.00 0.00 H new ATOM 0 HG23 ILE A 380 -2.262 19.635 -3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 380 -1.565 24.070 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 380 -0.077 23.265 -1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 380 -1.064 24.196 -3.067 1.00 0.00 H new ATOM 142 N LYS A 381 1.274 20.328 -5.361 1.00 0.00 N ATOM 143 CA LYS A 381 1.744 19.399 -6.385 1.00 0.00 C ATOM 144 C LYS A 381 2.571 18.277 -5.766 1.00 0.00 C ATOM 145 O LYS A 381 2.547 17.143 -6.245 1.00 0.00 O ATOM 146 CB LYS A 381 2.591 20.138 -7.423 1.00 0.00 C ATOM 147 CG LYS A 381 1.787 21.037 -8.350 1.00 0.00 C ATOM 148 CD LYS A 381 2.026 20.690 -9.812 1.00 0.00 C ATOM 149 CE LYS A 381 1.679 19.239 -10.110 1.00 0.00 C ATOM 150 NZ LYS A 381 2.806 18.520 -10.768 1.00 0.00 N ATOM 0 H LYS A 381 1.537 21.300 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 381 0.869 18.966 -6.870 1.00 0.00 H new ATOM 0 HB2 LYS A 381 3.337 20.741 -6.906 1.00 0.00 H new ATOM 0 HB3 LYS A 381 3.133 19.406 -8.023 1.00 0.00 H new ATOM 0 HG2 LYS A 381 0.726 20.940 -8.121 1.00 0.00 H new ATOM 0 HG3 LYS A 381 2.058 22.078 -8.173 1.00 0.00 H new ATOM 0 HD2 LYS A 381 1.426 21.345 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 381 3.071 20.873 -10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 381 1.417 18.731 -9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 381 0.800 19.201 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 2.528 17.535 -10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 3.040 18.989 -11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 3.638 18.533 -10.144 1.00 0.00 H new ATOM 164 N LYS A 382 3.296 18.589 -4.698 1.00 0.00 N ATOM 165 CA LYS A 382 4.114 17.589 -4.026 1.00 0.00 C ATOM 166 C LYS A 382 3.240 16.535 -3.373 1.00 0.00 C ATOM 167 O LYS A 382 3.557 15.347 -3.386 1.00 0.00 O ATOM 168 CB LYS A 382 5.030 18.241 -2.989 1.00 0.00 C ATOM 169 CG LYS A 382 6.178 19.030 -3.599 1.00 0.00 C ATOM 170 CD LYS A 382 6.671 20.117 -2.656 1.00 0.00 C ATOM 171 CE LYS A 382 7.870 19.654 -1.842 1.00 0.00 C ATOM 172 NZ LYS A 382 7.588 19.671 -0.381 1.00 0.00 N ATOM 0 H LYS A 382 3.334 19.520 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 382 4.739 17.104 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 382 4.437 18.906 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 382 5.438 17.467 -2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 382 6.999 18.354 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 382 5.853 19.480 -4.537 1.00 0.00 H new ATOM 0 HD2 LYS A 382 6.942 21.003 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 382 5.865 20.408 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 382 8.148 18.645 -2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 382 8.724 20.298 -2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 382 8.429 19.349 0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 382 7.348 20.639 -0.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 382 6.790 19.037 -0.174 1.00 0.00 H new ATOM 186 N ILE A 383 2.128 16.983 -2.825 1.00 0.00 N ATOM 187 CA ILE A 383 1.178 16.083 -2.182 1.00 0.00 C ATOM 188 C ILE A 383 0.666 15.071 -3.198 1.00 0.00 C ATOM 189 O ILE A 383 0.422 13.909 -2.875 1.00 0.00 O ATOM 190 CB ILE A 383 -0.015 16.852 -1.581 1.00 0.00 C ATOM 191 CG1 ILE A 383 0.481 17.949 -0.636 1.00 0.00 C ATOM 192 CG2 ILE A 383 -0.952 15.900 -0.851 1.00 0.00 C ATOM 193 CD1 ILE A 383 1.222 17.415 0.570 1.00 0.00 C ATOM 0 H ILE A 383 1.855 17.966 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 383 1.696 15.573 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 383 -0.570 17.321 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 383 1.137 18.623 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 383 -0.371 18.539 -0.298 1.00 0.00 H new ATOM 0 HG21 ILE A 383 -1.788 16.461 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 383 -1.329 15.153 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 383 -0.411 15.403 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 383 1.545 18.247 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 383 0.562 16.764 1.143 1.00 0.00 H new ATOM 0 HD13 ILE A 383 2.093 16.849 0.240 1.00 0.00 H new ATOM 205 N ILE A 384 0.534 15.529 -4.438 1.00 0.00 N ATOM 206 CA ILE A 384 0.083 14.678 -5.536 1.00 0.00 C ATOM 207 C ILE A 384 1.202 13.746 -5.949 1.00 0.00 C ATOM 208 O ILE A 384 0.995 12.553 -6.164 1.00 0.00 O ATOM 209 CB ILE A 384 -0.334 15.490 -6.782 1.00 0.00 C ATOM 210 CG1 ILE A 384 -0.598 16.949 -6.428 1.00 0.00 C ATOM 211 CG2 ILE A 384 -1.557 14.872 -7.438 1.00 0.00 C ATOM 212 CD1 ILE A 384 -1.652 17.131 -5.357 1.00 0.00 C ATOM 0 H ILE A 384 0.734 16.491 -4.710 1.00 0.00 H new ATOM 0 HA ILE A 384 -0.785 14.129 -5.171 1.00 0.00 H new ATOM 0 HB ILE A 384 0.493 15.461 -7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 384 0.332 17.407 -6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 384 -0.909 17.482 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 384 -1.835 15.458 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 384 -1.329 13.850 -7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 384 -2.385 14.863 -6.729 1.00 0.00 H new ATOM 0 HD11 ILE A 384 -1.787 18.194 -5.156 1.00 0.00 H new ATOM 0 HD12 ILE A 384 -2.595 16.703 -5.698 1.00 0.00 H new ATOM 0 HD13 ILE A 384 -1.334 16.627 -4.444 1.00 0.00 H new ATOM 224 N HIS A 385 2.395 14.315 -6.054 1.00 0.00 N ATOM 225 CA HIS A 385 3.574 13.548 -6.440 1.00 0.00 C ATOM 226 C HIS A 385 3.766 12.375 -5.481 1.00 0.00 C ATOM 227 O HIS A 385 4.050 11.253 -5.904 1.00 0.00 O ATOM 228 CB HIS A 385 4.811 14.459 -6.459 1.00 0.00 C ATOM 229 CG HIS A 385 6.081 13.788 -6.031 1.00 0.00 C ATOM 230 ND1 HIS A 385 6.830 13.041 -6.906 1.00 0.00 N ATOM 231 CD2 HIS A 385 6.683 13.786 -4.818 1.00 0.00 C ATOM 232 CE1 HIS A 385 7.866 12.603 -6.212 1.00 0.00 C ATOM 233 NE2 HIS A 385 7.820 13.030 -4.941 1.00 0.00 N ATOM 0 H HIS A 385 2.573 15.304 -5.878 1.00 0.00 H new ATOM 0 HA HIS A 385 3.434 13.148 -7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 385 4.943 14.850 -7.468 1.00 0.00 H new ATOM 0 HB3 HIS A 385 4.628 15.313 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 385 6.334 14.284 -3.925 1.00 0.00 H new ATOM 0 HE1 HIS A 385 8.650 11.980 -6.617 1.00 0.00 H new ATOM 0 HE2 HIS A 385 8.500 12.831 -4.207 1.00 0.00 H new ATOM 241 N VAL A 386 3.582 12.636 -4.192 1.00 0.00 N ATOM 242 CA VAL A 386 3.710 11.596 -3.183 1.00 0.00 C ATOM 243 C VAL A 386 2.542 10.625 -3.288 1.00 0.00 C ATOM 244 O VAL A 386 2.704 9.418 -3.104 1.00 0.00 O ATOM 245 CB VAL A 386 3.754 12.186 -1.760 1.00 0.00 C ATOM 246 CG1 VAL A 386 4.022 11.093 -0.736 1.00 0.00 C ATOM 247 CG2 VAL A 386 4.806 13.280 -1.668 1.00 0.00 C ATOM 0 H VAL A 386 3.344 13.557 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 386 4.649 11.073 -3.366 1.00 0.00 H new ATOM 0 HB VAL A 386 2.782 12.628 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 386 4.050 11.529 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 386 3.229 10.347 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 386 4.980 10.619 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 386 4.823 13.685 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 386 5.785 12.865 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 386 4.566 14.076 -2.373 1.00 0.00 H new ATOM 257 N LEU A 387 1.366 11.162 -3.601 1.00 0.00 N ATOM 258 CA LEU A 387 0.169 10.345 -3.750 1.00 0.00 C ATOM 259 C LEU A 387 0.296 9.447 -4.971 1.00 0.00 C ATOM 260 O LEU A 387 -0.150 8.300 -4.960 1.00 0.00 O ATOM 261 CB LEU A 387 -1.075 11.228 -3.872 1.00 0.00 C ATOM 262 CG LEU A 387 -2.346 10.647 -3.242 1.00 0.00 C ATOM 263 CD1 LEU A 387 -2.854 11.551 -2.130 1.00 0.00 C ATOM 264 CD2 LEU A 387 -3.423 10.445 -4.299 1.00 0.00 C ATOM 0 H LEU A 387 1.218 12.159 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 387 0.064 9.722 -2.862 1.00 0.00 H new ATOM 0 HB2 LEU A 387 -0.865 12.192 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 387 -1.265 11.418 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 387 -2.101 9.677 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 387 -3.757 11.121 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 387 -2.089 11.644 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 387 -3.081 12.536 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 387 -4.317 10.032 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 387 -3.664 11.403 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 387 -3.060 9.756 -5.061 1.00 0.00 H new ATOM 276 N GLU A 388 0.927 9.971 -6.015 1.00 0.00 N ATOM 277 CA GLU A 388 1.135 9.209 -7.235 1.00 0.00 C ATOM 278 C GLU A 388 2.011 8.002 -6.930 1.00 0.00 C ATOM 279 O GLU A 388 1.827 6.923 -7.496 1.00 0.00 O ATOM 280 CB GLU A 388 1.788 10.082 -8.310 1.00 0.00 C ATOM 281 CG GLU A 388 1.104 9.991 -9.665 1.00 0.00 C ATOM 282 CD GLU A 388 0.842 11.352 -10.280 1.00 0.00 C ATOM 283 OE1 GLU A 388 0.652 12.321 -9.516 1.00 0.00 O ATOM 284 OE2 GLU A 388 0.828 11.448 -11.524 1.00 0.00 O ATOM 0 H GLU A 388 1.302 10.919 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 388 0.171 8.870 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 388 1.781 11.120 -7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 388 2.832 9.790 -8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 388 1.725 9.404 -10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 388 0.159 9.458 -9.556 1.00 0.00 H new ATOM 291 N LYS A 389 2.953 8.194 -6.011 1.00 0.00 N ATOM 292 CA LYS A 389 3.849 7.123 -5.603 1.00 0.00 C ATOM 293 C LYS A 389 3.078 6.082 -4.802 1.00 0.00 C ATOM 294 O LYS A 389 3.346 4.884 -4.891 1.00 0.00 O ATOM 295 CB LYS A 389 5.006 7.682 -4.771 1.00 0.00 C ATOM 296 CG LYS A 389 6.359 7.091 -5.137 1.00 0.00 C ATOM 297 CD LYS A 389 6.752 7.435 -6.567 1.00 0.00 C ATOM 298 CE LYS A 389 8.024 8.266 -6.614 1.00 0.00 C ATOM 299 NZ LYS A 389 7.974 9.298 -7.686 1.00 0.00 N ATOM 0 H LYS A 389 3.114 9.082 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 389 4.263 6.651 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 389 5.045 8.764 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 389 4.809 7.492 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 389 7.118 7.465 -4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 389 6.328 6.008 -5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 389 6.896 6.517 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 389 5.941 7.983 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 389 8.176 8.751 -5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 389 8.879 7.611 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 8.860 9.843 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 7.854 8.834 -8.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 7.173 9.939 -7.514 1.00 0.00 H new ATOM 313 N VAL A 390 2.102 6.555 -4.032 1.00 0.00 N ATOM 314 CA VAL A 390 1.267 5.679 -3.224 1.00 0.00 C ATOM 315 C VAL A 390 0.266 4.942 -4.105 1.00 0.00 C ATOM 316 O VAL A 390 -0.059 3.781 -3.859 1.00 0.00 O ATOM 317 CB VAL A 390 0.501 6.465 -2.142 1.00 0.00 C ATOM 318 CG1 VAL A 390 -0.234 5.515 -1.210 1.00 0.00 C ATOM 319 CG2 VAL A 390 1.449 7.364 -1.360 1.00 0.00 C ATOM 0 H VAL A 390 1.871 7.545 -3.952 1.00 0.00 H new ATOM 0 HA VAL A 390 1.927 4.964 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 390 -0.238 7.097 -2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 390 -0.769 6.089 -0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 390 -0.945 4.920 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 390 0.484 4.854 -0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 390 0.889 7.910 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 390 2.214 6.755 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 390 1.924 8.071 -2.040 1.00 0.00 H new ATOM 329 N GLN A 391 -0.218 5.631 -5.135 1.00 0.00 N ATOM 330 CA GLN A 391 -1.183 5.050 -6.061 1.00 0.00 C ATOM 331 C GLN A 391 -0.613 3.794 -6.711 1.00 0.00 C ATOM 332 O GLN A 391 -1.311 2.793 -6.868 1.00 0.00 O ATOM 333 CB GLN A 391 -1.563 6.071 -7.135 1.00 0.00 C ATOM 334 CG GLN A 391 -3.049 6.380 -7.183 1.00 0.00 C ATOM 335 CD GLN A 391 -3.381 7.477 -8.170 1.00 0.00 C ATOM 336 OE1 GLN A 391 -3.520 8.695 -7.665 1.00 0.00 O flip ATOM 337 NE2 GLN A 391 -3.510 7.234 -9.370 1.00 0.00 N flip ATOM 0 H GLN A 391 0.043 6.594 -5.349 1.00 0.00 H new ATOM 0 HA GLN A 391 -2.077 4.775 -5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 391 -1.014 6.995 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -1.247 5.696 -8.109 1.00 0.00 H new ATOM 0 HG2 GLN A 391 -3.596 5.476 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 391 -3.388 6.675 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -3.394 6.280 -9.713 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -3.733 7.986 -10.022 1.00 0.00 H new ATOM 346 N TYR A 392 0.665 3.850 -7.075 1.00 0.00 N ATOM 347 CA TYR A 392 1.329 2.709 -7.692 1.00 0.00 C ATOM 348 C TYR A 392 1.502 1.590 -6.671 1.00 0.00 C ATOM 349 O TYR A 392 1.286 0.416 -6.974 1.00 0.00 O ATOM 350 CB TYR A 392 2.688 3.124 -8.260 1.00 0.00 C ATOM 351 CG TYR A 392 2.697 3.279 -9.765 1.00 0.00 C ATOM 352 CD1 TYR A 392 1.735 4.047 -10.408 1.00 0.00 C ATOM 353 CD2 TYR A 392 3.667 2.656 -10.540 1.00 0.00 C ATOM 354 CE1 TYR A 392 1.740 4.190 -11.784 1.00 0.00 C ATOM 355 CE2 TYR A 392 3.678 2.795 -11.915 1.00 0.00 C ATOM 356 CZ TYR A 392 2.714 3.563 -12.532 1.00 0.00 C ATOM 357 OH TYR A 392 2.722 3.704 -13.901 1.00 0.00 O ATOM 0 H TYR A 392 1.259 4.671 -6.953 1.00 0.00 H new ATOM 0 HA TYR A 392 0.709 2.345 -8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 392 2.989 4.067 -7.805 1.00 0.00 H new ATOM 0 HB3 TYR A 392 3.433 2.381 -7.976 1.00 0.00 H new ATOM 0 HD1 TYR A 392 0.971 4.540 -9.825 1.00 0.00 H new ATOM 0 HD2 TYR A 392 4.424 2.054 -10.061 1.00 0.00 H new ATOM 0 HE1 TYR A 392 0.985 4.790 -12.270 1.00 0.00 H new ATOM 0 HE2 TYR A 392 4.439 2.304 -12.504 1.00 0.00 H new ATOM 0 HH TYR A 392 3.474 3.200 -14.277 1.00 0.00 H new ATOM 367 N LEU A 393 1.881 1.968 -5.455 1.00 0.00 N ATOM 368 CA LEU A 393 2.071 1.005 -4.380 1.00 0.00 C ATOM 369 C LEU A 393 0.743 0.352 -4.013 1.00 0.00 C ATOM 370 O LEU A 393 0.683 -0.843 -3.726 1.00 0.00 O ATOM 371 CB LEU A 393 2.679 1.691 -3.153 1.00 0.00 C ATOM 372 CG LEU A 393 3.928 1.013 -2.586 1.00 0.00 C ATOM 373 CD1 LEU A 393 4.700 1.976 -1.697 1.00 0.00 C ATOM 374 CD2 LEU A 393 3.547 -0.241 -1.812 1.00 0.00 C ATOM 0 H LEU A 393 2.063 2.936 -5.190 1.00 0.00 H new ATOM 0 HA LEU A 393 2.757 0.232 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 393 2.930 2.718 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 393 1.922 1.739 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 393 4.571 0.723 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 393 5.585 1.477 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 393 5.003 2.846 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 393 4.066 2.296 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 393 4.447 -0.711 -1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 393 2.885 0.027 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 393 3.036 -0.938 -2.477 1.00 0.00 H new ATOM 386 N GLU A 394 -0.323 1.148 -4.036 1.00 0.00 N ATOM 387 CA GLU A 394 -1.656 0.650 -3.714 1.00 0.00 C ATOM 388 C GLU A 394 -2.064 -0.447 -4.689 1.00 0.00 C ATOM 389 O GLU A 394 -2.644 -1.459 -4.294 1.00 0.00 O ATOM 390 CB GLU A 394 -2.674 1.792 -3.752 1.00 0.00 C ATOM 391 CG GLU A 394 -4.096 1.352 -3.443 1.00 0.00 C ATOM 392 CD GLU A 394 -4.824 0.835 -4.668 1.00 0.00 C ATOM 393 OE1 GLU A 394 -4.624 1.403 -5.762 1.00 0.00 O ATOM 394 OE2 GLU A 394 -5.595 -0.139 -4.533 1.00 0.00 O ATOM 0 H GLU A 394 -0.289 2.139 -4.274 1.00 0.00 H new ATOM 0 HA GLU A 394 -1.634 0.232 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -2.376 2.557 -3.035 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -2.652 2.254 -4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -4.074 0.572 -2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.649 2.192 -3.023 1.00 0.00 H new ATOM 401 N GLN A 395 -1.751 -0.244 -5.966 1.00 0.00 N ATOM 402 CA GLN A 395 -2.078 -1.222 -6.995 1.00 0.00 C ATOM 403 C GLN A 395 -1.394 -2.551 -6.700 1.00 0.00 C ATOM 404 O GLN A 395 -1.979 -3.619 -6.883 1.00 0.00 O ATOM 405 CB GLN A 395 -1.660 -0.707 -8.374 1.00 0.00 C ATOM 406 CG GLN A 395 -2.715 -0.917 -9.447 1.00 0.00 C ATOM 407 CD GLN A 395 -2.118 -1.324 -10.780 1.00 0.00 C ATOM 408 OE1 GLN A 395 -2.328 -2.443 -11.251 1.00 0.00 O ATOM 409 NE2 GLN A 395 -1.370 -0.418 -11.396 1.00 0.00 N ATOM 0 H GLN A 395 -1.272 0.588 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 395 -3.157 -1.377 -6.994 1.00 0.00 H new ATOM 0 HB2 GLN A 395 -1.434 0.357 -8.302 1.00 0.00 H new ATOM 0 HB3 GLN A 395 -0.741 -1.209 -8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 395 -3.415 -1.684 -9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 395 -3.286 0.002 -9.575 1.00 0.00 H new ATOM 0 HE21 GLN A 395 -1.222 0.497 -10.970 1.00 0.00 H new ATOM 0 HE22 GLN A 395 -0.943 -0.636 -12.296 1.00 0.00 H new ATOM 418 N GLU A 396 -0.151 -2.476 -6.235 1.00 0.00 N ATOM 419 CA GLU A 396 0.615 -3.672 -5.905 1.00 0.00 C ATOM 420 C GLU A 396 0.027 -4.362 -4.680 1.00 0.00 C ATOM 421 O GLU A 396 -0.041 -5.589 -4.619 1.00 0.00 O ATOM 422 CB GLU A 396 2.081 -3.313 -5.652 1.00 0.00 C ATOM 423 CG GLU A 396 3.025 -4.500 -5.755 1.00 0.00 C ATOM 424 CD GLU A 396 4.482 -4.083 -5.795 1.00 0.00 C ATOM 425 OE1 GLU A 396 4.832 -3.084 -5.133 1.00 0.00 O ATOM 426 OE2 GLU A 396 5.274 -4.756 -6.489 1.00 0.00 O ATOM 0 H GLU A 396 0.347 -1.600 -6.078 1.00 0.00 H new ATOM 0 HA GLU A 396 0.562 -4.358 -6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 396 2.389 -2.552 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 396 2.172 -2.872 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 396 2.864 -5.163 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 396 2.789 -5.070 -6.653 1.00 0.00 H new ATOM 433 N VAL A 397 -0.405 -3.565 -3.705 1.00 0.00 N ATOM 434 CA VAL A 397 -0.994 -4.104 -2.486 1.00 0.00 C ATOM 435 C VAL A 397 -2.243 -4.914 -2.807 1.00 0.00 C ATOM 436 O VAL A 397 -2.528 -5.919 -2.157 1.00 0.00 O ATOM 437 CB VAL A 397 -1.358 -2.987 -1.487 1.00 0.00 C ATOM 438 CG1 VAL A 397 -1.838 -3.582 -0.171 1.00 0.00 C ATOM 439 CG2 VAL A 397 -0.170 -2.063 -1.263 1.00 0.00 C ATOM 0 H VAL A 397 -0.358 -2.547 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 397 -0.245 -4.750 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 397 -2.172 -2.398 -1.909 1.00 0.00 H new ATOM 0 HG11 VAL A 397 -2.090 -2.779 0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 397 -2.720 -4.197 -0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 397 -1.048 -4.197 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 397 -0.446 -1.281 -0.555 1.00 0.00 H new ATOM 0 HG22 VAL A 397 0.666 -2.636 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 397 0.121 -1.609 -2.210 1.00 0.00 H new ATOM 449 N GLU A 398 -2.979 -4.476 -3.825 1.00 0.00 N ATOM 450 CA GLU A 398 -4.192 -5.169 -4.241 1.00 0.00 C ATOM 451 C GLU A 398 -3.864 -6.605 -4.630 1.00 0.00 C ATOM 452 O GLU A 398 -4.601 -7.536 -4.302 1.00 0.00 O ATOM 453 CB GLU A 398 -4.847 -4.443 -5.418 1.00 0.00 C ATOM 454 CG GLU A 398 -6.220 -4.984 -5.779 1.00 0.00 C ATOM 455 CD GLU A 398 -6.886 -4.193 -6.888 1.00 0.00 C ATOM 456 OE1 GLU A 398 -6.396 -4.252 -8.036 1.00 0.00 O ATOM 457 OE2 GLU A 398 -7.896 -3.513 -6.610 1.00 0.00 O ATOM 0 H GLU A 398 -2.756 -3.646 -4.375 1.00 0.00 H new ATOM 0 HA GLU A 398 -4.892 -5.177 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 398 -4.935 -3.384 -5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 398 -4.196 -4.519 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 398 -6.127 -6.026 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 398 -6.856 -4.969 -4.894 1.00 0.00 H new ATOM 464 N GLU A 399 -2.738 -6.773 -5.314 1.00 0.00 N ATOM 465 CA GLU A 399 -2.287 -8.091 -5.734 1.00 0.00 C ATOM 466 C GLU A 399 -1.470 -8.736 -4.622 1.00 0.00 C ATOM 467 O GLU A 399 -1.903 -9.705 -4.001 1.00 0.00 O ATOM 468 CB GLU A 399 -1.445 -7.983 -7.008 1.00 0.00 C ATOM 469 CG GLU A 399 -1.649 -9.141 -7.970 1.00 0.00 C ATOM 470 CD GLU A 399 -1.446 -8.737 -9.418 1.00 0.00 C ATOM 471 OE1 GLU A 399 -0.798 -7.697 -9.659 1.00 0.00 O ATOM 472 OE2 GLU A 399 -1.937 -9.461 -10.310 1.00 0.00 O ATOM 0 H GLU A 399 -2.120 -6.009 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 399 -3.158 -8.712 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -1.689 -7.051 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.391 -7.930 -6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.955 -9.944 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -2.656 -9.540 -7.845 1.00 0.00 H new ATOM 479 N PHE A 400 -0.294 -8.168 -4.368 1.00 0.00 N ATOM 480 CA PHE A 400 0.600 -8.649 -3.322 1.00 0.00 C ATOM 481 C PHE A 400 0.881 -10.138 -3.438 1.00 0.00 C ATOM 482 O PHE A 400 1.928 -10.551 -3.934 1.00 0.00 O ATOM 483 CB PHE A 400 0.032 -8.309 -1.940 1.00 0.00 C ATOM 484 CG PHE A 400 1.026 -8.472 -0.823 1.00 0.00 C ATOM 485 CD1 PHE A 400 2.367 -8.182 -1.022 1.00 0.00 C ATOM 486 CD2 PHE A 400 0.617 -8.908 0.426 1.00 0.00 C ATOM 487 CE1 PHE A 400 3.280 -8.325 0.004 1.00 0.00 C ATOM 488 CE2 PHE A 400 1.526 -9.051 1.457 1.00 0.00 C ATOM 489 CZ PHE A 400 2.860 -8.760 1.245 1.00 0.00 C ATOM 0 H PHE A 400 0.064 -7.363 -4.881 1.00 0.00 H new ATOM 0 HA PHE A 400 1.554 -8.138 -3.451 1.00 0.00 H new ATOM 0 HB2 PHE A 400 -0.328 -7.280 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 400 -0.830 -8.947 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 400 2.701 -7.840 -1.990 1.00 0.00 H new ATOM 0 HD2 PHE A 400 -0.424 -9.139 0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 400 4.322 -8.097 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 400 1.194 -9.390 2.427 1.00 0.00 H new ATOM 0 HZ PHE A 400 3.573 -8.873 2.049 1.00 0.00 H new ATOM 499 N VAL A 401 -0.052 -10.929 -2.957 1.00 0.00 N ATOM 500 CA VAL A 401 0.074 -12.381 -2.972 1.00 0.00 C ATOM 501 C VAL A 401 1.069 -12.837 -1.911 1.00 0.00 C ATOM 502 O VAL A 401 1.740 -13.857 -2.068 1.00 0.00 O ATOM 503 CB VAL A 401 0.524 -12.907 -4.351 1.00 0.00 C ATOM 504 CG1 VAL A 401 0.418 -14.424 -4.407 1.00 0.00 C ATOM 505 CG2 VAL A 401 -0.295 -12.267 -5.462 1.00 0.00 C ATOM 0 H VAL A 401 -0.921 -10.591 -2.543 1.00 0.00 H new ATOM 0 HA VAL A 401 -0.913 -12.791 -2.756 1.00 0.00 H new ATOM 0 HB VAL A 401 1.569 -12.634 -4.498 1.00 0.00 H new ATOM 0 HG11 VAL A 401 0.740 -14.775 -5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 401 1.054 -14.862 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 401 -0.616 -14.723 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 401 0.037 -12.651 -6.426 1.00 0.00 H new ATOM 0 HG22 VAL A 401 -1.349 -12.505 -5.320 1.00 0.00 H new ATOM 0 HG23 VAL A 401 -0.161 -11.186 -5.436 1.00 0.00 H new ATOM 515 N GLY A 402 1.160 -12.066 -0.830 1.00 0.00 N ATOM 516 CA GLY A 402 2.076 -12.394 0.245 1.00 0.00 C ATOM 517 C GLY A 402 1.380 -13.031 1.431 1.00 0.00 C ATOM 518 O GLY A 402 0.352 -13.690 1.275 1.00 0.00 O ATOM 0 H GLY A 402 0.613 -11.218 -0.681 1.00 0.00 H new ATOM 0 HA2 GLY A 402 2.842 -13.073 -0.130 1.00 0.00 H new ATOM 0 HA3 GLY A 402 2.586 -11.488 0.572 1.00 0.00 H new ATOM 522 N LYS A 403 1.943 -12.835 2.619 1.00 0.00 N ATOM 523 CA LYS A 403 1.371 -13.399 3.840 1.00 0.00 C ATOM 524 C LYS A 403 1.315 -12.351 4.943 1.00 0.00 C ATOM 525 O LYS A 403 1.864 -11.265 4.799 1.00 0.00 O ATOM 526 CB LYS A 403 2.189 -14.604 4.305 1.00 0.00 C ATOM 527 CG LYS A 403 2.220 -15.744 3.300 1.00 0.00 C ATOM 528 CD LYS A 403 3.307 -15.539 2.256 1.00 0.00 C ATOM 529 CE LYS A 403 4.144 -16.795 2.069 1.00 0.00 C ATOM 530 NZ LYS A 403 3.390 -17.864 1.356 1.00 0.00 N ATOM 0 H LYS A 403 2.794 -12.291 2.764 1.00 0.00 H new ATOM 0 HA LYS A 403 0.355 -13.726 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 403 3.210 -14.282 4.508 1.00 0.00 H new ATOM 0 HB3 LYS A 403 1.777 -14.971 5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 403 2.389 -16.686 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 403 1.251 -15.822 2.807 1.00 0.00 H new ATOM 0 HD2 LYS A 403 2.852 -15.259 1.306 1.00 0.00 H new ATOM 0 HD3 LYS A 403 3.951 -14.713 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 403 5.045 -16.550 1.507 1.00 0.00 H new ATOM 0 HE3 LYS A 403 4.466 -17.165 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 3.995 -18.703 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 2.543 -18.116 1.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 3.105 -17.520 0.417 1.00 0.00 H new ATOM 544 N LYS A 404 0.651 -12.682 6.045 1.00 0.00 N ATOM 545 CA LYS A 404 0.537 -11.765 7.172 1.00 0.00 C ATOM 546 C LYS A 404 1.664 -11.991 8.181 1.00 0.00 C ATOM 547 O LYS A 404 1.829 -11.214 9.121 1.00 0.00 O ATOM 548 CB LYS A 404 -0.819 -11.937 7.860 1.00 0.00 C ATOM 549 CG LYS A 404 -1.034 -13.326 8.440 1.00 0.00 C ATOM 550 CD LYS A 404 -0.801 -13.345 9.942 1.00 0.00 C ATOM 551 CE LYS A 404 -1.917 -12.629 10.686 1.00 0.00 C ATOM 552 NZ LYS A 404 -1.571 -11.209 10.974 1.00 0.00 N ATOM 0 H LYS A 404 0.184 -13.578 6.181 1.00 0.00 H new ATOM 0 HA LYS A 404 0.618 -10.748 6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 404 -0.908 -11.201 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 404 -1.611 -11.725 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 404 -2.049 -13.658 8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 404 -0.358 -14.032 7.957 1.00 0.00 H new ATOM 0 HD2 LYS A 404 -0.734 -14.376 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 404 0.153 -12.870 10.170 1.00 0.00 H new ATOM 0 HE2 LYS A 404 -2.831 -12.667 10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 404 -2.122 -13.150 11.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 404 -1.823 -10.983 11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 404 -0.550 -11.066 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 404 -2.098 -10.586 10.330 1.00 0.00 H new ATOM 566 N THR A 405 2.434 -13.062 7.990 1.00 0.00 N ATOM 567 CA THR A 405 3.536 -13.382 8.893 1.00 0.00 C ATOM 568 C THR A 405 4.890 -13.308 8.185 1.00 0.00 C ATOM 569 O THR A 405 5.935 -13.289 8.835 1.00 0.00 O ATOM 570 CB THR A 405 3.339 -14.777 9.490 1.00 0.00 C ATOM 571 OG1 THR A 405 1.972 -15.148 9.455 1.00 0.00 O ATOM 572 CG2 THR A 405 3.808 -14.885 10.924 1.00 0.00 C ATOM 0 H THR A 405 2.314 -13.720 7.220 1.00 0.00 H new ATOM 0 HA THR A 405 3.534 -12.639 9.690 1.00 0.00 H new ATOM 0 HB THR A 405 3.945 -15.443 8.876 1.00 0.00 H new ATOM 0 HG1 THR A 405 1.866 -16.043 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 405 3.640 -15.899 11.286 1.00 0.00 H new ATOM 0 HG22 THR A 405 4.872 -14.652 10.977 1.00 0.00 H new ATOM 0 HG23 THR A 405 3.251 -14.182 11.543 1.00 0.00 H new ATOM 580 N ASP A 406 4.874 -13.274 6.853 1.00 0.00 N ATOM 581 CA ASP A 406 6.111 -13.213 6.079 1.00 0.00 C ATOM 582 C ASP A 406 6.876 -11.920 6.352 1.00 0.00 C ATOM 583 O ASP A 406 6.322 -10.958 6.878 1.00 0.00 O ATOM 584 CB ASP A 406 5.806 -13.331 4.585 1.00 0.00 C ATOM 585 CG ASP A 406 7.059 -13.494 3.747 1.00 0.00 C ATOM 586 OD1 ASP A 406 7.864 -14.398 4.055 1.00 0.00 O ATOM 587 OD2 ASP A 406 7.235 -12.717 2.785 1.00 0.00 O ATOM 0 H ASP A 406 4.023 -13.288 6.291 1.00 0.00 H new ATOM 0 HA ASP A 406 6.738 -14.050 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 406 5.148 -14.184 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 406 5.266 -12.443 4.257 1.00 0.00 H new ATOM 592 N LYS A 407 8.155 -11.907 5.987 1.00 0.00 N ATOM 593 CA LYS A 407 8.999 -10.732 6.185 1.00 0.00 C ATOM 594 C LYS A 407 8.602 -9.627 5.219 1.00 0.00 C ATOM 595 O LYS A 407 8.585 -8.449 5.577 1.00 0.00 O ATOM 596 CB LYS A 407 10.478 -11.111 6.013 1.00 0.00 C ATOM 597 CG LYS A 407 11.341 -10.026 5.381 1.00 0.00 C ATOM 598 CD LYS A 407 12.788 -10.132 5.832 1.00 0.00 C ATOM 599 CE LYS A 407 13.559 -11.139 4.993 1.00 0.00 C ATOM 600 NZ LYS A 407 14.596 -11.851 5.790 1.00 0.00 N ATOM 0 H LYS A 407 8.630 -12.698 5.552 1.00 0.00 H new ATOM 0 HA LYS A 407 8.857 -10.359 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 407 10.891 -11.363 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 407 10.540 -12.010 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 407 11.291 -10.106 4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 407 10.947 -9.045 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 407 13.266 -9.155 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 407 12.823 -10.427 6.881 1.00 0.00 H new ATOM 0 HE2 LYS A 407 12.865 -11.865 4.570 1.00 0.00 H new ATOM 0 HE3 LYS A 407 14.033 -10.626 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 407 15.098 -12.528 5.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 407 15.274 -11.161 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 407 14.142 -12.362 6.574 1.00 0.00 H new ATOM 614 N ALA A 408 8.260 -10.015 4.002 1.00 0.00 N ATOM 615 CA ALA A 408 7.839 -9.057 2.997 1.00 0.00 C ATOM 616 C ALA A 408 6.565 -8.361 3.456 1.00 0.00 C ATOM 617 O ALA A 408 6.295 -7.222 3.084 1.00 0.00 O ATOM 618 CB ALA A 408 7.620 -9.749 1.660 1.00 0.00 C ATOM 0 H ALA A 408 8.266 -10.985 3.688 1.00 0.00 H new ATOM 0 HA ALA A 408 8.622 -8.310 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 408 7.305 -9.015 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 408 8.550 -10.217 1.336 1.00 0.00 H new ATOM 0 HB3 ALA A 408 6.849 -10.512 1.767 1.00 0.00 H new ATOM 624 N TYR A 409 5.777 -9.074 4.255 1.00 0.00 N ATOM 625 CA TYR A 409 4.519 -8.549 4.760 1.00 0.00 C ATOM 626 C TYR A 409 4.713 -7.263 5.552 1.00 0.00 C ATOM 627 O TYR A 409 3.988 -6.293 5.332 1.00 0.00 O ATOM 628 CB TYR A 409 3.852 -9.602 5.637 1.00 0.00 C ATOM 629 CG TYR A 409 2.609 -9.123 6.349 1.00 0.00 C ATOM 630 CD1 TYR A 409 1.463 -8.782 5.644 1.00 0.00 C ATOM 631 CD2 TYR A 409 2.585 -9.024 7.734 1.00 0.00 C ATOM 632 CE1 TYR A 409 0.324 -8.355 6.300 1.00 0.00 C ATOM 633 CE2 TYR A 409 1.450 -8.598 8.397 1.00 0.00 C ATOM 634 CZ TYR A 409 0.322 -8.265 7.676 1.00 0.00 C ATOM 635 OH TYR A 409 -0.810 -7.841 8.333 1.00 0.00 O ATOM 0 H TYR A 409 5.992 -10.021 4.566 1.00 0.00 H new ATOM 0 HA TYR A 409 3.885 -8.312 3.906 1.00 0.00 H new ATOM 0 HB2 TYR A 409 3.594 -10.462 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 409 4.571 -9.948 6.380 1.00 0.00 H new ATOM 0 HD1 TYR A 409 1.461 -8.851 4.566 1.00 0.00 H new ATOM 0 HD2 TYR A 409 3.467 -9.284 8.301 1.00 0.00 H new ATOM 0 HE1 TYR A 409 -0.560 -8.093 5.738 1.00 0.00 H new ATOM 0 HE2 TYR A 409 1.446 -8.526 9.475 1.00 0.00 H new ATOM 0 HH TYR A 409 -0.645 -7.835 9.299 1.00 0.00 H new ATOM 645 N TRP A 410 5.702 -7.223 6.446 1.00 0.00 N ATOM 646 CA TRP A 410 5.932 -5.993 7.185 1.00 0.00 C ATOM 647 C TRP A 410 6.548 -4.972 6.248 1.00 0.00 C ATOM 648 O TRP A 410 6.310 -3.776 6.375 1.00 0.00 O ATOM 649 CB TRP A 410 6.786 -6.170 8.449 1.00 0.00 C ATOM 650 CG TRP A 410 7.684 -7.354 8.496 1.00 0.00 C ATOM 651 CD1 TRP A 410 7.362 -8.612 8.905 1.00 0.00 C ATOM 652 CD2 TRP A 410 9.077 -7.368 8.186 1.00 0.00 C ATOM 653 NE1 TRP A 410 8.471 -9.414 8.866 1.00 0.00 N ATOM 654 CE2 TRP A 410 9.541 -8.673 8.420 1.00 0.00 C ATOM 655 CE3 TRP A 410 9.974 -6.401 7.724 1.00 0.00 C ATOM 656 CZ2 TRP A 410 10.868 -9.038 8.212 1.00 0.00 C ATOM 657 CZ3 TRP A 410 11.292 -6.763 7.517 1.00 0.00 C ATOM 658 CH2 TRP A 410 11.728 -8.072 7.761 1.00 0.00 C ATOM 0 H TRP A 410 6.330 -7.996 6.666 1.00 0.00 H new ATOM 0 HA TRP A 410 4.965 -5.646 7.550 1.00 0.00 H new ATOM 0 HB2 TRP A 410 7.397 -5.276 8.573 1.00 0.00 H new ATOM 0 HB3 TRP A 410 6.115 -6.219 9.307 1.00 0.00 H new ATOM 0 HD1 TRP A 410 6.377 -8.930 9.214 1.00 0.00 H new ATOM 0 HE1 TRP A 410 8.499 -10.400 9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 410 9.644 -5.391 7.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 410 11.207 -10.046 8.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 410 11.996 -6.025 7.162 1.00 0.00 H new ATOM 0 HH2 TRP A 410 12.764 -8.325 7.590 1.00 0.00 H new ATOM 669 N LEU A 411 7.311 -5.472 5.278 1.00 0.00 N ATOM 670 CA LEU A 411 7.935 -4.638 4.276 1.00 0.00 C ATOM 671 C LEU A 411 6.854 -3.980 3.431 1.00 0.00 C ATOM 672 O LEU A 411 6.958 -2.805 3.085 1.00 0.00 O ATOM 673 CB LEU A 411 8.867 -5.476 3.396 1.00 0.00 C ATOM 674 CG LEU A 411 9.421 -4.756 2.166 1.00 0.00 C ATOM 675 CD1 LEU A 411 10.663 -3.959 2.528 1.00 0.00 C ATOM 676 CD2 LEU A 411 9.724 -5.752 1.056 1.00 0.00 C ATOM 0 H LEU A 411 7.508 -6.467 5.172 1.00 0.00 H new ATOM 0 HA LEU A 411 8.530 -3.866 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 411 9.704 -5.819 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 411 8.328 -6.364 3.066 1.00 0.00 H new ATOM 0 HG LEU A 411 8.664 -4.061 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 411 11.043 -3.454 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 411 10.412 -3.218 3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 411 11.427 -4.632 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 411 10.117 -5.222 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 411 10.463 -6.473 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 411 8.809 -6.275 0.777 1.00 0.00 H new ATOM 688 N LEU A 412 5.794 -4.735 3.115 1.00 0.00 N ATOM 689 CA LEU A 412 4.700 -4.181 2.332 1.00 0.00 C ATOM 690 C LEU A 412 4.094 -3.009 3.089 1.00 0.00 C ATOM 691 O LEU A 412 3.892 -1.926 2.539 1.00 0.00 O ATOM 692 CB LEU A 412 3.628 -5.235 2.051 1.00 0.00 C ATOM 693 CG LEU A 412 2.825 -4.992 0.773 1.00 0.00 C ATOM 694 CD1 LEU A 412 3.647 -5.366 -0.452 1.00 0.00 C ATOM 695 CD2 LEU A 412 1.520 -5.769 0.801 1.00 0.00 C ATOM 0 H LEU A 412 5.678 -5.711 3.387 1.00 0.00 H new ATOM 0 HA LEU A 412 5.091 -3.844 1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 412 4.105 -6.213 1.986 1.00 0.00 H new ATOM 0 HB3 LEU A 412 2.941 -5.271 2.896 1.00 0.00 H new ATOM 0 HG LEU A 412 2.586 -3.930 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 412 3.060 -5.187 -1.353 1.00 0.00 H new ATOM 0 HD12 LEU A 412 4.552 -4.759 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 412 3.919 -6.420 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 412 0.965 -5.581 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.733 -6.835 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 412 0.925 -5.449 1.656 1.00 0.00 H new ATOM 707 N GLU A 413 3.848 -3.235 4.375 1.00 0.00 N ATOM 708 CA GLU A 413 3.312 -2.210 5.256 1.00 0.00 C ATOM 709 C GLU A 413 4.369 -1.141 5.512 1.00 0.00 C ATOM 710 O GLU A 413 4.052 0.033 5.707 1.00 0.00 O ATOM 711 CB GLU A 413 2.853 -2.826 6.579 1.00 0.00 C ATOM 712 CG GLU A 413 1.807 -1.999 7.306 1.00 0.00 C ATOM 713 CD GLU A 413 1.731 -2.326 8.784 1.00 0.00 C ATOM 714 OE1 GLU A 413 1.572 -3.518 9.121 1.00 0.00 O ATOM 715 OE2 GLU A 413 1.830 -1.390 9.605 1.00 0.00 O ATOM 0 H GLU A 413 4.015 -4.131 4.832 1.00 0.00 H new ATOM 0 HA GLU A 413 2.450 -1.750 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 413 2.448 -3.820 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 413 3.718 -2.955 7.229 1.00 0.00 H new ATOM 0 HG2 GLU A 413 2.036 -0.940 7.183 1.00 0.00 H new ATOM 0 HG3 GLU A 413 0.832 -2.169 6.849 1.00 0.00 H new ATOM 722 N GLU A 414 5.631 -1.570 5.524 1.00 0.00 N ATOM 723 CA GLU A 414 6.752 -0.674 5.771 1.00 0.00 C ATOM 724 C GLU A 414 6.861 0.381 4.671 1.00 0.00 C ATOM 725 O GLU A 414 7.070 1.562 4.952 1.00 0.00 O ATOM 726 CB GLU A 414 8.051 -1.488 5.854 1.00 0.00 C ATOM 727 CG GLU A 414 8.766 -1.353 7.189 1.00 0.00 C ATOM 728 CD GLU A 414 8.129 -2.192 8.279 1.00 0.00 C ATOM 729 OE1 GLU A 414 6.897 -2.089 8.464 1.00 0.00 O ATOM 730 OE2 GLU A 414 8.860 -2.952 8.948 1.00 0.00 O ATOM 0 H GLU A 414 5.900 -2.541 5.364 1.00 0.00 H new ATOM 0 HA GLU A 414 6.585 -0.159 6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 414 7.824 -2.539 5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 414 8.722 -1.168 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 414 9.808 -1.649 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 414 8.764 -0.306 7.494 1.00 0.00 H new ATOM 737 N MET A 415 6.702 -0.044 3.424 1.00 0.00 N ATOM 738 CA MET A 415 6.766 0.874 2.292 1.00 0.00 C ATOM 739 C MET A 415 5.556 1.795 2.297 1.00 0.00 C ATOM 740 O MET A 415 5.641 2.965 1.920 1.00 0.00 O ATOM 741 CB MET A 415 6.824 0.103 0.971 1.00 0.00 C ATOM 742 CG MET A 415 7.749 -1.101 1.011 1.00 0.00 C ATOM 743 SD MET A 415 9.235 -0.873 0.017 1.00 0.00 S ATOM 744 CE MET A 415 8.933 -2.031 -1.316 1.00 0.00 C ATOM 0 H MET A 415 6.528 -1.017 3.170 1.00 0.00 H new ATOM 0 HA MET A 415 7.673 1.471 2.387 1.00 0.00 H new ATOM 0 HB2 MET A 415 5.819 -0.229 0.709 1.00 0.00 H new ATOM 0 HB3 MET A 415 7.153 0.777 0.180 1.00 0.00 H new ATOM 0 HG2 MET A 415 8.035 -1.299 2.044 1.00 0.00 H new ATOM 0 HG3 MET A 415 7.210 -1.979 0.655 1.00 0.00 H new ATOM 0 HE1 MET A 415 9.768 -2.006 -2.016 1.00 0.00 H new ATOM 0 HE2 MET A 415 8.832 -3.037 -0.908 1.00 0.00 H new ATOM 0 HE3 MET A 415 8.015 -1.756 -1.836 1.00 0.00 H new ATOM 754 N LEU A 416 4.426 1.249 2.727 1.00 0.00 N ATOM 755 CA LEU A 416 3.178 2.002 2.790 1.00 0.00 C ATOM 756 C LEU A 416 3.310 3.205 3.721 1.00 0.00 C ATOM 757 O LEU A 416 2.809 4.288 3.423 1.00 0.00 O ATOM 758 CB LEU A 416 2.042 1.095 3.269 1.00 0.00 C ATOM 759 CG LEU A 416 0.631 1.611 2.977 1.00 0.00 C ATOM 760 CD1 LEU A 416 0.339 2.859 3.795 1.00 0.00 C ATOM 761 CD2 LEU A 416 0.465 1.891 1.492 1.00 0.00 C ATOM 0 H LEU A 416 4.347 0.281 3.039 1.00 0.00 H new ATOM 0 HA LEU A 416 2.951 2.367 1.789 1.00 0.00 H new ATOM 0 HB2 LEU A 416 2.158 0.117 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 416 2.143 0.949 4.344 1.00 0.00 H new ATOM 0 HG LEU A 416 -0.085 0.841 3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 416 -0.669 3.211 3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 416 0.417 2.625 4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 416 1.059 3.637 3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 416 -0.544 2.257 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 416 1.189 2.644 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 416 0.630 0.973 0.928 1.00 0.00 H new ATOM 773 N THR A 417 3.983 3.007 4.850 1.00 0.00 N ATOM 774 CA THR A 417 4.177 4.077 5.822 1.00 0.00 C ATOM 775 C THR A 417 5.167 5.114 5.303 1.00 0.00 C ATOM 776 O THR A 417 5.051 6.302 5.608 1.00 0.00 O ATOM 777 CB THR A 417 4.669 3.506 7.152 1.00 0.00 C ATOM 778 OG1 THR A 417 4.060 2.256 7.417 1.00 0.00 O ATOM 779 CG2 THR A 417 4.392 4.412 8.332 1.00 0.00 C ATOM 0 H THR A 417 4.403 2.116 5.114 1.00 0.00 H new ATOM 0 HA THR A 417 3.216 4.567 5.979 1.00 0.00 H new ATOM 0 HB THR A 417 5.748 3.403 7.040 1.00 0.00 H new ATOM 0 HG1 THR A 417 4.389 1.906 8.271 1.00 0.00 H new ATOM 0 HG21 THR A 417 4.767 3.947 9.244 1.00 0.00 H new ATOM 0 HG22 THR A 417 4.892 5.369 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 417 3.318 4.574 8.422 1.00 0.00 H new ATOM 787 N LYS A 418 6.140 4.662 4.517 1.00 0.00 N ATOM 788 CA LYS A 418 7.146 5.560 3.957 1.00 0.00 C ATOM 789 C LYS A 418 6.484 6.654 3.128 1.00 0.00 C ATOM 790 O LYS A 418 6.798 7.835 3.276 1.00 0.00 O ATOM 791 CB LYS A 418 8.139 4.775 3.097 1.00 0.00 C ATOM 792 CG LYS A 418 9.459 4.495 3.797 1.00 0.00 C ATOM 793 CD LYS A 418 9.393 3.218 4.619 1.00 0.00 C ATOM 794 CE LYS A 418 10.777 2.764 5.059 1.00 0.00 C ATOM 795 NZ LYS A 418 10.997 1.317 4.791 1.00 0.00 N ATOM 0 H LYS A 418 6.253 3.683 4.254 1.00 0.00 H new ATOM 0 HA LYS A 418 7.687 6.027 4.780 1.00 0.00 H new ATOM 0 HB2 LYS A 418 7.685 3.829 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 418 8.334 5.332 2.181 1.00 0.00 H new ATOM 0 HG2 LYS A 418 10.254 4.412 3.056 1.00 0.00 H new ATOM 0 HG3 LYS A 418 9.714 5.334 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 418 8.767 3.381 5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 418 8.920 2.431 4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 418 11.534 3.349 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 418 10.902 2.959 6.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 11.951 1.047 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 10.290 0.757 5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 10.903 1.135 3.771 1.00 0.00 H new ATOM 809 N GLU A 419 5.555 6.255 2.265 1.00 0.00 N ATOM 810 CA GLU A 419 4.838 7.209 1.428 1.00 0.00 C ATOM 811 C GLU A 419 4.019 8.146 2.304 1.00 0.00 C ATOM 812 O GLU A 419 3.993 9.357 2.089 1.00 0.00 O ATOM 813 CB GLU A 419 3.921 6.486 0.435 1.00 0.00 C ATOM 814 CG GLU A 419 4.489 5.177 -0.092 1.00 0.00 C ATOM 815 CD GLU A 419 5.916 5.316 -0.588 1.00 0.00 C ATOM 816 OE1 GLU A 419 6.209 6.307 -1.288 1.00 0.00 O ATOM 817 OE2 GLU A 419 6.741 4.431 -0.276 1.00 0.00 O ATOM 0 H GLU A 419 5.282 5.282 2.128 1.00 0.00 H new ATOM 0 HA GLU A 419 5.567 7.787 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 419 2.965 6.287 0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 419 3.721 7.148 -0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 419 4.455 4.427 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 419 3.860 4.814 -0.905 1.00 0.00 H new ATOM 824 N LEU A 420 3.365 7.569 3.306 1.00 0.00 N ATOM 825 CA LEU A 420 2.555 8.339 4.240 1.00 0.00 C ATOM 826 C LEU A 420 3.429 9.335 4.996 1.00 0.00 C ATOM 827 O LEU A 420 3.059 10.494 5.177 1.00 0.00 O ATOM 828 CB LEU A 420 1.853 7.396 5.225 1.00 0.00 C ATOM 829 CG LEU A 420 1.229 8.065 6.455 1.00 0.00 C ATOM 830 CD1 LEU A 420 -0.227 8.410 6.192 1.00 0.00 C ATOM 831 CD2 LEU A 420 1.351 7.160 7.672 1.00 0.00 C ATOM 0 H LEU A 420 3.381 6.566 3.492 1.00 0.00 H new ATOM 0 HA LEU A 420 1.799 8.891 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 420 1.070 6.859 4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 420 2.574 6.653 5.565 1.00 0.00 H new ATOM 0 HG LEU A 420 1.770 8.989 6.657 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -0.654 8.884 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -0.292 9.094 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -0.781 7.499 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 420 0.903 7.650 8.536 1.00 0.00 H new ATOM 0 HD22 LEU A 420 0.834 6.220 7.480 1.00 0.00 H new ATOM 0 HD23 LEU A 420 2.404 6.961 7.873 1.00 0.00 H new ATOM 843 N LEU A 421 4.592 8.865 5.432 1.00 0.00 N ATOM 844 CA LEU A 421 5.531 9.701 6.169 1.00 0.00 C ATOM 845 C LEU A 421 6.000 10.876 5.317 1.00 0.00 C ATOM 846 O LEU A 421 6.280 11.957 5.834 1.00 0.00 O ATOM 847 CB LEU A 421 6.728 8.862 6.626 1.00 0.00 C ATOM 848 CG LEU A 421 6.680 8.414 8.088 1.00 0.00 C ATOM 849 CD1 LEU A 421 5.357 7.723 8.392 1.00 0.00 C ATOM 850 CD2 LEU A 421 7.848 7.491 8.400 1.00 0.00 C ATOM 0 H LEU A 421 4.908 7.906 5.287 1.00 0.00 H new ATOM 0 HA LEU A 421 5.022 10.103 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 421 6.796 7.978 5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 421 7.639 9.439 6.468 1.00 0.00 H new ATOM 0 HG LEU A 421 6.760 9.297 8.722 1.00 0.00 H new ATOM 0 HD11 LEU A 421 5.341 7.411 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 421 4.535 8.414 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 421 5.247 6.849 7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 421 7.799 7.182 9.444 1.00 0.00 H new ATOM 0 HD22 LEU A 421 7.798 6.611 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 421 8.786 8.018 8.222 1.00 0.00 H new ATOM 862 N GLU A 422 6.079 10.657 4.009 1.00 0.00 N ATOM 863 CA GLU A 422 6.512 11.700 3.086 1.00 0.00 C ATOM 864 C GLU A 422 5.445 12.784 2.953 1.00 0.00 C ATOM 865 O GLU A 422 5.760 13.969 2.841 1.00 0.00 O ATOM 866 CB GLU A 422 6.819 11.100 1.713 1.00 0.00 C ATOM 867 CG GLU A 422 7.351 12.112 0.713 1.00 0.00 C ATOM 868 CD GLU A 422 8.800 12.478 0.968 1.00 0.00 C ATOM 869 OE1 GLU A 422 9.519 11.663 1.584 1.00 0.00 O ATOM 870 OE2 GLU A 422 9.217 13.580 0.552 1.00 0.00 O ATOM 0 H GLU A 422 5.849 9.768 3.564 1.00 0.00 H new ATOM 0 HA GLU A 422 7.418 12.153 3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 422 7.549 10.299 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 422 5.912 10.648 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 422 7.254 11.707 -0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 422 6.740 13.014 0.754 1.00 0.00 H new ATOM 877 N LEU A 423 4.183 12.367 2.967 1.00 0.00 N ATOM 878 CA LEU A 423 3.068 13.300 2.850 1.00 0.00 C ATOM 879 C LEU A 423 2.970 14.190 4.086 1.00 0.00 C ATOM 880 O LEU A 423 2.538 15.340 4.002 1.00 0.00 O ATOM 881 CB LEU A 423 1.756 12.536 2.653 1.00 0.00 C ATOM 882 CG LEU A 423 1.469 12.103 1.213 1.00 0.00 C ATOM 883 CD1 LEU A 423 1.232 10.602 1.141 1.00 0.00 C ATOM 884 CD2 LEU A 423 0.272 12.859 0.655 1.00 0.00 C ATOM 0 H LEU A 423 3.907 11.389 3.058 1.00 0.00 H new ATOM 0 HA LEU A 423 3.247 13.934 1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 423 1.771 11.649 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 423 0.933 13.162 2.999 1.00 0.00 H new ATOM 0 HG LEU A 423 2.341 12.342 0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 423 1.030 10.315 0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 423 2.118 10.076 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 423 0.378 10.338 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 423 0.084 12.537 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 423 -0.606 12.653 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 423 0.480 13.929 0.667 1.00 0.00 H new ATOM 896 N ASP A 424 3.372 13.649 5.230 1.00 0.00 N ATOM 897 CA ASP A 424 3.330 14.391 6.487 1.00 0.00 C ATOM 898 C ASP A 424 4.437 15.443 6.555 1.00 0.00 C ATOM 899 O ASP A 424 4.467 16.262 7.474 1.00 0.00 O ATOM 900 CB ASP A 424 3.455 13.430 7.671 1.00 0.00 C ATOM 901 CG ASP A 424 2.107 12.945 8.166 1.00 0.00 C ATOM 902 OD1 ASP A 424 1.502 12.082 7.495 1.00 0.00 O ATOM 903 OD2 ASP A 424 1.655 13.428 9.225 1.00 0.00 O ATOM 0 H ASP A 424 3.731 12.698 5.314 1.00 0.00 H new ATOM 0 HA ASP A 424 2.371 14.906 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 424 4.061 12.573 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 424 3.981 13.928 8.486 1.00 0.00 H new ATOM 908 N SER A 425 5.347 15.418 5.583 1.00 0.00 N ATOM 909 CA SER A 425 6.451 16.372 5.545 1.00 0.00 C ATOM 910 C SER A 425 5.941 17.809 5.625 1.00 0.00 C ATOM 911 O SER A 425 6.624 18.692 6.142 1.00 0.00 O ATOM 912 CB SER A 425 7.273 16.180 4.270 1.00 0.00 C ATOM 913 OG SER A 425 8.580 16.705 4.422 1.00 0.00 O ATOM 0 H SER A 425 5.341 14.749 4.813 1.00 0.00 H new ATOM 0 HA SER A 425 7.085 16.186 6.412 1.00 0.00 H new ATOM 0 HB2 SER A 425 7.330 15.119 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 425 6.775 16.672 3.435 1.00 0.00 H new ATOM 0 HG SER A 425 9.086 16.568 3.594 1.00 0.00 H new ATOM 919 N VAL A 426 4.736 18.035 5.108 1.00 0.00 N ATOM 920 CA VAL A 426 4.137 19.365 5.122 1.00 0.00 C ATOM 921 C VAL A 426 3.730 19.769 6.535 1.00 0.00 C ATOM 922 O VAL A 426 3.078 19.005 7.247 1.00 0.00 O ATOM 923 CB VAL A 426 2.903 19.436 4.204 1.00 0.00 C ATOM 924 CG1 VAL A 426 3.323 19.399 2.742 1.00 0.00 C ATOM 925 CG2 VAL A 426 1.936 18.305 4.518 1.00 0.00 C ATOM 0 H VAL A 426 4.157 17.315 4.675 1.00 0.00 H new ATOM 0 HA VAL A 426 4.894 20.057 4.753 1.00 0.00 H new ATOM 0 HB VAL A 426 2.391 20.380 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 426 2.438 19.450 2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 426 3.972 20.248 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 426 3.860 18.472 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 426 1.071 18.373 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 426 2.434 17.348 4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 426 1.609 18.383 5.555 1.00 0.00 H new ATOM 935 N GLU A 427 4.120 20.976 6.934 1.00 0.00 N ATOM 936 CA GLU A 427 3.796 21.484 8.262 1.00 0.00 C ATOM 937 C GLU A 427 2.418 22.137 8.275 1.00 0.00 C ATOM 938 O GLU A 427 1.726 22.128 9.294 1.00 0.00 O ATOM 939 CB GLU A 427 4.854 22.493 8.714 1.00 0.00 C ATOM 940 CG GLU A 427 6.247 21.897 8.843 1.00 0.00 C ATOM 941 CD GLU A 427 6.881 22.176 10.191 1.00 0.00 C ATOM 942 OE1 GLU A 427 6.252 21.854 11.221 1.00 0.00 O ATOM 943 OE2 GLU A 427 8.006 22.717 10.218 1.00 0.00 O ATOM 0 H GLU A 427 4.661 21.620 6.357 1.00 0.00 H new ATOM 0 HA GLU A 427 3.785 20.642 8.954 1.00 0.00 H new ATOM 0 HB2 GLU A 427 4.885 23.318 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 427 4.557 22.913 9.675 1.00 0.00 H new ATOM 0 HG2 GLU A 427 6.192 20.819 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 427 6.884 22.300 8.056 1.00 0.00 H new ATOM 950 N THR A 428 2.024 22.702 7.138 1.00 0.00 N ATOM 951 CA THR A 428 0.727 23.359 7.020 1.00 0.00 C ATOM 952 C THR A 428 0.627 24.539 7.982 1.00 0.00 C ATOM 953 O THR A 428 1.343 24.601 8.981 1.00 0.00 O ATOM 954 CB THR A 428 -0.400 22.362 7.297 1.00 0.00 C ATOM 955 OG1 THR A 428 -0.207 21.169 6.559 1.00 0.00 O ATOM 956 CG2 THR A 428 -1.772 22.900 6.951 1.00 0.00 C ATOM 0 H THR A 428 2.584 22.718 6.286 1.00 0.00 H new ATOM 0 HA THR A 428 0.628 23.734 6.001 1.00 0.00 H new ATOM 0 HB THR A 428 -0.361 22.172 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.937 20.544 6.751 1.00 0.00 H new ATOM 0 HG21 THR A 428 -2.525 22.144 7.171 1.00 0.00 H new ATOM 0 HG22 THR A 428 -1.972 23.794 7.542 1.00 0.00 H new ATOM 0 HG23 THR A 428 -1.808 23.150 5.891 1.00 0.00 H new ATOM 964 N GLY A 429 -0.265 25.475 7.672 1.00 0.00 N ATOM 965 CA GLY A 429 -0.442 26.640 8.517 1.00 0.00 C ATOM 966 C GLY A 429 -1.888 27.088 8.595 1.00 0.00 C ATOM 967 O GLY A 429 -2.218 28.211 8.214 1.00 0.00 O ATOM 0 H GLY A 429 -0.868 25.446 6.850 1.00 0.00 H new ATOM 0 HA2 GLY A 429 -0.080 26.415 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 429 0.168 27.458 8.134 1.00 0.00 H new ATOM 971 N GLY A 430 -2.753 26.207 9.090 1.00 0.00 N ATOM 972 CA GLY A 430 -4.161 26.536 9.207 1.00 0.00 C ATOM 973 C GLY A 430 -4.850 26.619 7.860 1.00 0.00 C ATOM 974 O GLY A 430 -5.820 27.360 7.695 1.00 0.00 O ATOM 0 H GLY A 430 -2.503 25.272 9.412 1.00 0.00 H new ATOM 0 HA2 GLY A 430 -4.657 25.783 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 430 -4.267 27.489 9.725 1.00 0.00 H new ATOM 978 N GLN A 431 -4.348 25.857 6.893 1.00 0.00 N ATOM 979 CA GLN A 431 -4.923 25.848 5.553 1.00 0.00 C ATOM 980 C GLN A 431 -5.699 24.559 5.302 1.00 0.00 C ATOM 981 O GLN A 431 -5.132 23.467 5.320 1.00 0.00 O ATOM 982 CB GLN A 431 -3.821 26.004 4.503 1.00 0.00 C ATOM 983 CG GLN A 431 -4.276 26.731 3.248 1.00 0.00 C ATOM 984 CD GLN A 431 -3.144 27.468 2.560 1.00 0.00 C ATOM 985 OE1 GLN A 431 -2.155 26.720 2.082 1.00 0.00 O flip ATOM 986 NE2 GLN A 431 -3.156 28.694 2.459 1.00 0.00 N flip ATOM 0 H GLN A 431 -3.546 25.239 7.012 1.00 0.00 H new ATOM 0 HA GLN A 431 -5.613 26.688 5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 431 -2.984 26.546 4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 431 -3.451 25.017 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 431 -4.712 26.012 2.554 1.00 0.00 H new ATOM 0 HG3 GLN A 431 -5.062 27.440 3.508 1.00 0.00 H new ATOM 0 HE21 GLN A 431 -3.936 29.230 2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 431 -2.386 29.175 1.994 1.00 0.00 H new ATOM 995 N ASP A 432 -7.001 24.695 5.068 1.00 0.00 N ATOM 996 CA ASP A 432 -7.857 23.542 4.814 1.00 0.00 C ATOM 997 C ASP A 432 -7.391 22.782 3.576 1.00 0.00 C ATOM 998 O ASP A 432 -7.543 21.562 3.492 1.00 0.00 O ATOM 999 CB ASP A 432 -9.310 23.989 4.635 1.00 0.00 C ATOM 1000 CG ASP A 432 -10.298 22.942 5.107 1.00 0.00 C ATOM 1001 OD1 ASP A 432 -10.448 22.777 6.336 1.00 0.00 O ATOM 1002 OD2 ASP A 432 -10.924 22.286 4.248 1.00 0.00 O ATOM 0 H ASP A 432 -7.486 25.592 5.049 1.00 0.00 H new ATOM 0 HA ASP A 432 -7.792 22.876 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 432 -9.473 24.914 5.188 1.00 0.00 H new ATOM 0 HB3 ASP A 432 -9.493 24.209 3.583 1.00 0.00 H new ATOM 1007 N SER A 433 -6.824 23.508 2.620 1.00 0.00 N ATOM 1008 CA SER A 433 -6.336 22.900 1.387 1.00 0.00 C ATOM 1009 C SER A 433 -5.255 21.865 1.683 1.00 0.00 C ATOM 1010 O SER A 433 -5.264 20.767 1.127 1.00 0.00 O ATOM 1011 CB SER A 433 -5.788 23.974 0.446 1.00 0.00 C ATOM 1012 OG SER A 433 -5.698 23.489 -0.883 1.00 0.00 O ATOM 0 H SER A 433 -6.691 24.518 2.674 1.00 0.00 H new ATOM 0 HA SER A 433 -7.173 22.397 0.903 1.00 0.00 H new ATOM 0 HB2 SER A 433 -6.435 24.851 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 433 -4.803 24.293 0.788 1.00 0.00 H new ATOM 0 HG SER A 433 -5.347 24.194 -1.466 1.00 0.00 H new ATOM 1018 N VAL A 434 -4.326 22.223 2.563 1.00 0.00 N ATOM 1019 CA VAL A 434 -3.239 21.325 2.934 1.00 0.00 C ATOM 1020 C VAL A 434 -3.732 20.229 3.872 1.00 0.00 C ATOM 1021 O VAL A 434 -3.343 19.067 3.745 1.00 0.00 O ATOM 1022 CB VAL A 434 -2.084 22.087 3.613 1.00 0.00 C ATOM 1023 CG1 VAL A 434 -0.898 21.164 3.847 1.00 0.00 C ATOM 1024 CG2 VAL A 434 -1.674 23.292 2.779 1.00 0.00 C ATOM 0 H VAL A 434 -4.304 23.128 3.032 1.00 0.00 H new ATOM 0 HA VAL A 434 -2.871 20.875 2.012 1.00 0.00 H new ATOM 0 HB VAL A 434 -2.432 22.446 4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 434 -0.093 21.720 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 434 -1.201 20.338 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 434 -0.548 20.772 2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 434 -0.858 23.817 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 434 -1.346 22.958 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 434 -2.524 23.965 2.669 1.00 0.00 H new ATOM 1034 N ARG A 435 -4.589 20.605 4.814 1.00 0.00 N ATOM 1035 CA ARG A 435 -5.137 19.653 5.775 1.00 0.00 C ATOM 1036 C ARG A 435 -5.941 18.568 5.068 1.00 0.00 C ATOM 1037 O ARG A 435 -5.862 17.392 5.423 1.00 0.00 O ATOM 1038 CB ARG A 435 -6.019 20.377 6.795 1.00 0.00 C ATOM 1039 CG ARG A 435 -5.243 21.278 7.740 1.00 0.00 C ATOM 1040 CD ARG A 435 -4.640 20.491 8.893 1.00 0.00 C ATOM 1041 NE ARG A 435 -3.488 21.173 9.478 1.00 0.00 N ATOM 1042 CZ ARG A 435 -2.999 20.900 10.685 1.00 0.00 C ATOM 1043 NH1 ARG A 435 -3.552 19.955 11.435 1.00 0.00 N ATOM 1044 NH2 ARG A 435 -1.952 21.572 11.144 1.00 0.00 N ATOM 0 H ARG A 435 -4.920 21.562 4.934 1.00 0.00 H new ATOM 0 HA ARG A 435 -4.304 19.180 6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 435 -6.759 20.974 6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 435 -6.566 19.637 7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 435 -4.450 21.786 7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 435 -5.904 22.051 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 435 -5.398 20.335 9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 435 -4.337 19.505 8.540 1.00 0.00 H new ATOM 0 HE ARG A 435 -3.032 21.901 8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 435 -4.356 19.433 11.087 1.00 0.00 H new ATOM 0 HH12 ARG A 435 -3.173 19.750 12.359 1.00 0.00 H new ATOM 0 HH21 ARG A 435 -1.521 22.298 10.572 1.00 0.00 H new ATOM 0 HH22 ARG A 435 -1.577 21.363 12.069 1.00 0.00 H new ATOM 1058 N GLN A 436 -6.716 18.970 4.066 1.00 0.00 N ATOM 1059 CA GLN A 436 -7.535 18.032 3.308 1.00 0.00 C ATOM 1060 C GLN A 436 -6.663 17.111 2.459 1.00 0.00 C ATOM 1061 O GLN A 436 -6.984 15.939 2.267 1.00 0.00 O ATOM 1062 CB GLN A 436 -8.521 18.788 2.415 1.00 0.00 C ATOM 1063 CG GLN A 436 -9.677 17.932 1.922 1.00 0.00 C ATOM 1064 CD GLN A 436 -9.961 18.129 0.446 1.00 0.00 C ATOM 1065 OE1 GLN A 436 -11.062 18.527 0.062 1.00 0.00 O ATOM 1066 NE2 GLN A 436 -8.969 17.849 -0.391 1.00 0.00 N ATOM 0 H GLN A 436 -6.794 19.940 3.760 1.00 0.00 H new ATOM 0 HA GLN A 436 -8.094 17.421 4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 436 -8.920 19.639 2.968 1.00 0.00 H new ATOM 0 HB3 GLN A 436 -7.985 19.190 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 436 -9.451 16.882 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 436 -10.572 18.172 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 436 -8.073 17.522 -0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 436 -9.103 17.961 -1.396 1.00 0.00 H new ATOM 1075 N ALA A 437 -5.558 17.651 1.955 1.00 0.00 N ATOM 1076 CA ALA A 437 -4.640 16.879 1.126 1.00 0.00 C ATOM 1077 C ALA A 437 -3.952 15.786 1.936 1.00 0.00 C ATOM 1078 O ALA A 437 -3.849 14.643 1.490 1.00 0.00 O ATOM 1079 CB ALA A 437 -3.606 17.798 0.491 1.00 0.00 C ATOM 0 H ALA A 437 -5.277 18.620 2.106 1.00 0.00 H new ATOM 0 HA ALA A 437 -5.219 16.398 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -2.926 17.210 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -4.110 18.539 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -3.040 18.304 1.273 1.00 0.00 H new ATOM 1085 N ARG A 438 -3.484 16.142 3.129 1.00 0.00 N ATOM 1086 CA ARG A 438 -2.808 15.187 3.997 1.00 0.00 C ATOM 1087 C ARG A 438 -3.795 14.175 4.566 1.00 0.00 C ATOM 1088 O ARG A 438 -3.501 12.983 4.647 1.00 0.00 O ATOM 1089 CB ARG A 438 -2.091 15.916 5.135 1.00 0.00 C ATOM 1090 CG ARG A 438 -3.028 16.701 6.039 1.00 0.00 C ATOM 1091 CD ARG A 438 -2.257 17.515 7.064 1.00 0.00 C ATOM 1092 NE ARG A 438 -1.916 16.724 8.245 1.00 0.00 N ATOM 1093 CZ ARG A 438 -2.807 16.309 9.143 1.00 0.00 C ATOM 1094 NH1 ARG A 438 -4.092 16.609 9.000 1.00 0.00 N ATOM 1095 NH2 ARG A 438 -2.412 15.592 10.187 1.00 0.00 N ATOM 0 H ARG A 438 -3.561 17.083 3.515 1.00 0.00 H new ATOM 0 HA ARG A 438 -2.071 14.651 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 438 -1.545 15.188 5.735 1.00 0.00 H new ATOM 0 HB3 ARG A 438 -1.353 16.597 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 438 -3.647 17.365 5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 438 -3.703 16.014 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 438 -1.344 17.900 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 438 -2.852 18.377 7.364 1.00 0.00 H new ATOM 0 HE ARG A 438 -0.937 16.475 8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 438 -4.401 17.160 8.199 1.00 0.00 H new ATOM 0 HH12 ARG A 438 -4.770 16.289 9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 438 -1.426 15.359 10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 438 -3.095 15.274 10.875 1.00 0.00 H new ATOM 1109 N LYS A 439 -4.972 14.658 4.956 1.00 0.00 N ATOM 1110 CA LYS A 439 -6.005 13.794 5.513 1.00 0.00 C ATOM 1111 C LYS A 439 -6.450 12.755 4.490 1.00 0.00 C ATOM 1112 O LYS A 439 -6.824 11.638 4.846 1.00 0.00 O ATOM 1113 CB LYS A 439 -7.206 14.626 5.969 1.00 0.00 C ATOM 1114 CG LYS A 439 -8.196 13.848 6.820 1.00 0.00 C ATOM 1115 CD LYS A 439 -9.153 14.776 7.553 1.00 0.00 C ATOM 1116 CE LYS A 439 -10.593 14.549 7.122 1.00 0.00 C ATOM 1117 NZ LYS A 439 -11.530 15.488 7.798 1.00 0.00 N ATOM 0 H LYS A 439 -5.232 15.642 4.896 1.00 0.00 H new ATOM 0 HA LYS A 439 -5.585 13.275 6.375 1.00 0.00 H new ATOM 0 HB2 LYS A 439 -6.848 15.485 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 439 -7.722 15.016 5.091 1.00 0.00 H new ATOM 0 HG2 LYS A 439 -8.763 13.165 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 439 -7.655 13.238 7.543 1.00 0.00 H new ATOM 0 HD2 LYS A 439 -9.065 14.616 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 439 -8.874 15.812 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 439 -10.672 14.672 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 439 -10.882 13.523 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 439 -12.501 15.300 7.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 439 -11.474 15.353 8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 439 -11.271 16.467 7.562 1.00 0.00 H new ATOM 1131 N GLU A 440 -6.401 13.132 3.216 1.00 0.00 N ATOM 1132 CA GLU A 440 -6.796 12.233 2.137 1.00 0.00 C ATOM 1133 C GLU A 440 -5.757 11.133 1.943 1.00 0.00 C ATOM 1134 O GLU A 440 -6.099 9.984 1.667 1.00 0.00 O ATOM 1135 CB GLU A 440 -6.975 13.014 0.833 1.00 0.00 C ATOM 1136 CG GLU A 440 -8.149 12.536 -0.006 1.00 0.00 C ATOM 1137 CD GLU A 440 -9.462 12.580 0.751 1.00 0.00 C ATOM 1138 OE1 GLU A 440 -9.560 13.354 1.726 1.00 0.00 O ATOM 1139 OE2 GLU A 440 -10.393 11.840 0.368 1.00 0.00 O ATOM 0 H GLU A 440 -6.092 14.053 2.906 1.00 0.00 H new ATOM 0 HA GLU A 440 -7.745 11.772 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 440 -7.113 14.070 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 440 -6.062 12.935 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 440 -8.228 13.155 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 440 -7.961 11.516 -0.340 1.00 0.00 H new ATOM 1146 N ALA A 441 -4.487 11.495 2.092 1.00 0.00 N ATOM 1147 CA ALA A 441 -3.398 10.540 1.935 1.00 0.00 C ATOM 1148 C ALA A 441 -3.429 9.486 3.037 1.00 0.00 C ATOM 1149 O ALA A 441 -3.291 8.293 2.770 1.00 0.00 O ATOM 1150 CB ALA A 441 -2.060 11.266 1.927 1.00 0.00 C ATOM 0 H ALA A 441 -4.187 12.443 2.321 1.00 0.00 H new ATOM 0 HA ALA A 441 -3.527 10.029 0.981 1.00 0.00 H new ATOM 0 HB1 ALA A 441 -1.254 10.542 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 441 -2.035 11.974 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 441 -1.931 11.802 2.867 1.00 0.00 H new ATOM 1156 N VAL A 442 -3.616 9.936 4.275 1.00 0.00 N ATOM 1157 CA VAL A 442 -3.669 9.031 5.417 1.00 0.00 C ATOM 1158 C VAL A 442 -4.963 8.224 5.413 1.00 0.00 C ATOM 1159 O VAL A 442 -4.999 7.084 5.878 1.00 0.00 O ATOM 1160 CB VAL A 442 -3.563 9.799 6.748 1.00 0.00 C ATOM 1161 CG1 VAL A 442 -3.402 8.832 7.912 1.00 0.00 C ATOM 1162 CG2 VAL A 442 -2.408 10.788 6.703 1.00 0.00 C ATOM 0 H VAL A 442 -3.733 10.921 4.512 1.00 0.00 H new ATOM 0 HA VAL A 442 -2.818 8.356 5.327 1.00 0.00 H new ATOM 0 HB VAL A 442 -4.486 10.360 6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 442 -3.329 9.393 8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 442 -4.265 8.168 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A 442 -2.497 8.242 7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 442 -2.349 11.321 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 442 -1.476 10.251 6.530 1.00 0.00 H new ATOM 0 HG23 VAL A 442 -2.571 11.501 5.895 1.00 0.00 H new ATOM 1172 N CYS A 443 -6.025 8.821 4.882 1.00 0.00 N ATOM 1173 CA CYS A 443 -7.321 8.156 4.813 1.00 0.00 C ATOM 1174 C CYS A 443 -7.301 7.025 3.788 1.00 0.00 C ATOM 1175 O CYS A 443 -7.766 5.918 4.061 1.00 0.00 O ATOM 1176 CB CYS A 443 -8.414 9.165 4.456 1.00 0.00 C ATOM 1177 SG CYS A 443 -10.081 8.465 4.420 1.00 0.00 S ATOM 0 H CYS A 443 -6.014 9.764 4.493 1.00 0.00 H new ATOM 0 HA CYS A 443 -7.535 7.728 5.792 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -8.390 9.981 5.178 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.191 9.596 3.480 1.00 0.00 H new ATOM 0 HG CYS A 443 -10.935 9.395 4.111 1.00 0.00 H new ATOM 1183 N LYS A 444 -6.763 7.311 2.605 1.00 0.00 N ATOM 1184 CA LYS A 444 -6.688 6.319 1.537 1.00 0.00 C ATOM 1185 C LYS A 444 -5.713 5.202 1.895 1.00 0.00 C ATOM 1186 O LYS A 444 -6.010 4.022 1.706 1.00 0.00 O ATOM 1187 CB LYS A 444 -6.264 6.981 0.226 1.00 0.00 C ATOM 1188 CG LYS A 444 -6.389 6.070 -0.984 1.00 0.00 C ATOM 1189 CD LYS A 444 -5.460 6.505 -2.107 1.00 0.00 C ATOM 1190 CE LYS A 444 -6.159 7.451 -3.072 1.00 0.00 C ATOM 1191 NZ LYS A 444 -5.964 8.876 -2.691 1.00 0.00 N ATOM 0 H LYS A 444 -6.373 8.222 2.362 1.00 0.00 H new ATOM 0 HA LYS A 444 -7.679 5.883 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 444 -6.872 7.871 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 444 -5.230 7.314 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 444 -6.157 5.045 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 444 -7.419 6.075 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 444 -4.583 6.996 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 444 -5.105 5.628 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 444 -5.777 7.289 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 444 -7.225 7.224 -3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 444 -6.063 9.477 -3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 444 -6.679 9.148 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 444 -5.014 9.000 -2.287 1.00 0.00 H new ATOM 1205 N ILE A 445 -4.550 5.578 2.417 1.00 0.00 N ATOM 1206 CA ILE A 445 -3.538 4.603 2.803 1.00 0.00 C ATOM 1207 C ILE A 445 -4.050 3.708 3.921 1.00 0.00 C ATOM 1208 O ILE A 445 -3.680 2.538 4.018 1.00 0.00 O ATOM 1209 CB ILE A 445 -2.236 5.287 3.260 1.00 0.00 C ATOM 1210 CG1 ILE A 445 -2.518 6.258 4.399 1.00 0.00 C ATOM 1211 CG2 ILE A 445 -1.575 6.007 2.095 1.00 0.00 C ATOM 1212 CD1 ILE A 445 -2.355 5.644 5.774 1.00 0.00 C ATOM 0 H ILE A 445 -4.286 6.549 2.582 1.00 0.00 H new ATOM 0 HA ILE A 445 -3.324 3.999 1.921 1.00 0.00 H new ATOM 0 HB ILE A 445 -1.551 4.520 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 445 -1.848 7.113 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 445 -3.535 6.638 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 445 -0.657 6.485 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 445 -1.340 5.289 1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 445 -2.254 6.765 1.703 1.00 0.00 H new ATOM 0 HD11 ILE A 445 -2.572 6.393 6.535 1.00 0.00 H new ATOM 0 HD12 ILE A 445 -3.044 4.807 5.883 1.00 0.00 H new ATOM 0 HD13 ILE A 445 -1.331 5.289 5.895 1.00 0.00 H new ATOM 1224 N GLN A 446 -4.911 4.270 4.756 1.00 0.00 N ATOM 1225 CA GLN A 446 -5.492 3.540 5.867 1.00 0.00 C ATOM 1226 C GLN A 446 -6.342 2.382 5.352 1.00 0.00 C ATOM 1227 O GLN A 446 -6.246 1.259 5.846 1.00 0.00 O ATOM 1228 CB GLN A 446 -6.330 4.497 6.714 1.00 0.00 C ATOM 1229 CG GLN A 446 -7.216 3.814 7.737 1.00 0.00 C ATOM 1230 CD GLN A 446 -6.725 4.016 9.157 1.00 0.00 C ATOM 1231 OE1 GLN A 446 -7.508 4.305 10.063 1.00 0.00 O ATOM 1232 NE2 GLN A 446 -5.422 3.864 9.357 1.00 0.00 N ATOM 0 H GLN A 446 -5.223 5.238 4.682 1.00 0.00 H new ATOM 0 HA GLN A 446 -4.698 3.122 6.486 1.00 0.00 H new ATOM 0 HB2 GLN A 446 -5.662 5.185 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 446 -6.955 5.097 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 446 -8.232 4.200 7.649 1.00 0.00 H new ATOM 0 HG3 GLN A 446 -7.261 2.747 7.520 1.00 0.00 H new ATOM 0 HE21 GLN A 446 -4.811 3.624 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 446 -5.032 3.987 10.291 1.00 0.00 H new ATOM 1241 N ALA A 447 -7.168 2.665 4.349 1.00 0.00 N ATOM 1242 CA ALA A 447 -8.027 1.647 3.761 1.00 0.00 C ATOM 1243 C ALA A 447 -7.191 0.519 3.169 1.00 0.00 C ATOM 1244 O ALA A 447 -7.588 -0.647 3.199 1.00 0.00 O ATOM 1245 CB ALA A 447 -8.923 2.261 2.696 1.00 0.00 C ATOM 0 H ALA A 447 -7.259 3.590 3.928 1.00 0.00 H new ATOM 0 HA ALA A 447 -8.658 1.231 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 447 -9.559 1.488 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 447 -9.546 3.034 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 447 -8.307 2.702 1.912 1.00 0.00 H new ATOM 1251 N ILE A 448 -6.026 0.875 2.637 1.00 0.00 N ATOM 1252 CA ILE A 448 -5.122 -0.102 2.044 1.00 0.00 C ATOM 1253 C ILE A 448 -4.420 -0.912 3.125 1.00 0.00 C ATOM 1254 O ILE A 448 -4.176 -2.108 2.962 1.00 0.00 O ATOM 1255 CB ILE A 448 -4.059 0.574 1.157 1.00 0.00 C ATOM 1256 CG1 ILE A 448 -4.716 1.570 0.200 1.00 0.00 C ATOM 1257 CG2 ILE A 448 -3.274 -0.472 0.381 1.00 0.00 C ATOM 1258 CD1 ILE A 448 -3.752 2.593 -0.363 1.00 0.00 C ATOM 0 H ILE A 448 -5.686 1.836 2.605 1.00 0.00 H new ATOM 0 HA ILE A 448 -5.729 -0.762 1.425 1.00 0.00 H new ATOM 0 HB ILE A 448 -3.367 1.119 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 448 -5.174 1.022 -0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 448 -5.519 2.089 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 448 -2.527 0.021 -0.241 1.00 0.00 H new ATOM 0 HG22 ILE A 448 -2.777 -1.146 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 448 -3.954 -1.042 -0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 448 -4.286 3.266 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 448 -3.313 3.167 0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 448 -2.962 2.083 -0.915 1.00 0.00 H new ATOM 1270 N LEU A 449 -4.095 -0.249 4.231 1.00 0.00 N ATOM 1271 CA LEU A 449 -3.418 -0.903 5.344 1.00 0.00 C ATOM 1272 C LEU A 449 -4.231 -2.089 5.853 1.00 0.00 C ATOM 1273 O LEU A 449 -3.724 -3.209 5.937 1.00 0.00 O ATOM 1274 CB LEU A 449 -3.177 0.098 6.479 1.00 0.00 C ATOM 1275 CG LEU A 449 -1.748 0.129 7.025 1.00 0.00 C ATOM 1276 CD1 LEU A 449 -1.450 -1.141 7.807 1.00 0.00 C ATOM 1277 CD2 LEU A 449 -0.747 0.306 5.892 1.00 0.00 C ATOM 0 H LEU A 449 -4.290 0.741 4.380 1.00 0.00 H new ATOM 0 HA LEU A 449 -2.457 -1.274 4.988 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -3.435 1.096 6.124 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -3.857 -0.135 7.298 1.00 0.00 H new ATOM 0 HG LEU A 449 -1.655 0.979 7.701 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -0.430 -1.103 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -2.146 -1.226 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -1.560 -2.006 7.153 1.00 0.00 H new ATOM 0 HD21 LEU A 449 0.264 0.326 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -0.840 -0.524 5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -0.947 1.243 5.373 1.00 0.00 H new ATOM 1289 N GLU A 450 -5.494 -1.844 6.184 1.00 0.00 N ATOM 1290 CA GLU A 450 -6.369 -2.903 6.674 1.00 0.00 C ATOM 1291 C GLU A 450 -6.533 -3.985 5.617 1.00 0.00 C ATOM 1292 O GLU A 450 -6.448 -5.175 5.915 1.00 0.00 O ATOM 1293 CB GLU A 450 -7.733 -2.336 7.070 1.00 0.00 C ATOM 1294 CG GLU A 450 -8.414 -1.557 5.957 1.00 0.00 C ATOM 1295 CD GLU A 450 -9.779 -1.035 6.361 1.00 0.00 C ATOM 1296 OE1 GLU A 450 -9.836 -0.074 7.157 1.00 0.00 O ATOM 1297 OE2 GLU A 450 -10.792 -1.589 5.882 1.00 0.00 O ATOM 0 H GLU A 450 -5.934 -0.926 6.122 1.00 0.00 H new ATOM 0 HA GLU A 450 -5.911 -3.345 7.559 1.00 0.00 H new ATOM 0 HB2 GLU A 450 -8.382 -3.155 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 450 -7.609 -1.684 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 450 -7.781 -0.719 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 450 -8.519 -2.198 5.082 1.00 0.00 H new ATOM 1304 N LYS A 451 -6.740 -3.569 4.373 1.00 0.00 N ATOM 1305 CA LYS A 451 -6.879 -4.516 3.277 1.00 0.00 C ATOM 1306 C LYS A 451 -5.630 -5.386 3.200 1.00 0.00 C ATOM 1307 O LYS A 451 -5.683 -6.546 2.792 1.00 0.00 O ATOM 1308 CB LYS A 451 -7.092 -3.775 1.954 1.00 0.00 C ATOM 1309 CG LYS A 451 -8.334 -4.222 1.197 1.00 0.00 C ATOM 1310 CD LYS A 451 -9.354 -3.101 1.081 1.00 0.00 C ATOM 1311 CE LYS A 451 -10.469 -3.252 2.104 1.00 0.00 C ATOM 1312 NZ LYS A 451 -11.631 -2.372 1.797 1.00 0.00 N ATOM 0 H LYS A 451 -6.815 -2.589 4.101 1.00 0.00 H new ATOM 0 HA LYS A 451 -7.749 -5.148 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 451 -7.164 -2.706 2.154 1.00 0.00 H new ATOM 0 HB3 LYS A 451 -6.218 -3.923 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 451 -8.051 -4.561 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 451 -8.785 -5.073 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 451 -8.858 -2.141 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 451 -9.778 -3.097 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 451 -10.798 -4.291 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 451 -10.086 -3.013 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 451 -12.368 -2.506 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 451 -11.323 -1.379 1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 451 -12.014 -2.616 0.861 1.00 0.00 H new ATOM 1326 N LEU A 452 -4.508 -4.804 3.615 1.00 0.00 N ATOM 1327 CA LEU A 452 -3.228 -5.496 3.619 1.00 0.00 C ATOM 1328 C LEU A 452 -3.187 -6.554 4.719 1.00 0.00 C ATOM 1329 O LEU A 452 -2.663 -7.648 4.515 1.00 0.00 O ATOM 1330 CB LEU A 452 -2.097 -4.486 3.823 1.00 0.00 C ATOM 1331 CG LEU A 452 -0.830 -4.749 3.010 1.00 0.00 C ATOM 1332 CD1 LEU A 452 -0.102 -3.443 2.722 1.00 0.00 C ATOM 1333 CD2 LEU A 452 0.080 -5.719 3.748 1.00 0.00 C ATOM 0 H LEU A 452 -4.463 -3.844 3.956 1.00 0.00 H new ATOM 0 HA LEU A 452 -3.100 -5.996 2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 452 -2.470 -3.493 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 452 -1.833 -4.470 4.880 1.00 0.00 H new ATOM 0 HG LEU A 452 -1.114 -5.199 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 452 0.798 -3.648 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 452 -0.755 -2.780 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 452 0.173 -2.965 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 452 0.978 -5.897 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 452 0.359 -5.294 4.712 1.00 0.00 H new ATOM 0 HD23 LEU A 452 -0.444 -6.662 3.904 1.00 0.00 H new ATOM 1345 N GLU A 453 -3.741 -6.224 5.886 1.00 0.00 N ATOM 1346 CA GLU A 453 -3.755 -7.161 7.005 1.00 0.00 C ATOM 1347 C GLU A 453 -4.591 -8.393 6.671 1.00 0.00 C ATOM 1348 O GLU A 453 -4.325 -9.489 7.167 1.00 0.00 O ATOM 1349 CB GLU A 453 -4.276 -6.479 8.278 1.00 0.00 C ATOM 1350 CG GLU A 453 -5.781 -6.252 8.301 1.00 0.00 C ATOM 1351 CD GLU A 453 -6.430 -6.776 9.567 1.00 0.00 C ATOM 1352 OE1 GLU A 453 -5.945 -7.793 10.106 1.00 0.00 O ATOM 1353 OE2 GLU A 453 -7.424 -6.170 10.019 1.00 0.00 O ATOM 0 H GLU A 453 -4.181 -5.324 6.078 1.00 0.00 H new ATOM 0 HA GLU A 453 -2.731 -7.486 7.188 1.00 0.00 H new ATOM 0 HB2 GLU A 453 -4.000 -7.087 9.140 1.00 0.00 H new ATOM 0 HB3 GLU A 453 -3.774 -5.518 8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 453 -5.985 -5.185 8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 453 -6.232 -6.740 7.437 1.00 0.00 H new ATOM 1360 N LYS A 454 -5.601 -8.209 5.826 1.00 0.00 N ATOM 1361 CA LYS A 454 -6.471 -9.309 5.426 1.00 0.00 C ATOM 1362 C LYS A 454 -5.960 -9.987 4.158 1.00 0.00 C ATOM 1363 O LYS A 454 -6.396 -11.086 3.814 1.00 0.00 O ATOM 1364 CB LYS A 454 -7.901 -8.808 5.212 1.00 0.00 C ATOM 1365 CG LYS A 454 -8.704 -8.692 6.498 1.00 0.00 C ATOM 1366 CD LYS A 454 -9.442 -9.984 6.810 1.00 0.00 C ATOM 1367 CE LYS A 454 -8.476 -11.102 7.170 1.00 0.00 C ATOM 1368 NZ LYS A 454 -9.119 -12.139 8.024 1.00 0.00 N ATOM 0 H LYS A 454 -5.837 -7.310 5.406 1.00 0.00 H new ATOM 0 HA LYS A 454 -6.467 -10.045 6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 454 -7.867 -7.833 4.726 1.00 0.00 H new ATOM 0 HB3 LYS A 454 -8.417 -9.486 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 454 -8.037 -8.444 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 454 -9.420 -7.875 6.409 1.00 0.00 H new ATOM 0 HD2 LYS A 454 -10.134 -9.819 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 454 -10.039 -10.281 5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 454 -8.101 -11.565 6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 454 -7.616 -10.684 7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 -8.427 -12.883 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 -9.455 -11.703 8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 -9.925 -12.557 7.516 1.00 0.00 H new ATOM 1382 N LYS A 455 -5.028 -9.336 3.472 1.00 0.00 N ATOM 1383 CA LYS A 455 -4.457 -9.888 2.251 1.00 0.00 C ATOM 1384 C LYS A 455 -3.350 -10.880 2.582 1.00 0.00 C ATOM 1385 O LYS A 455 -3.059 -11.788 1.803 1.00 0.00 O ATOM 1386 CB LYS A 455 -3.901 -8.770 1.369 1.00 0.00 C ATOM 1387 CG LYS A 455 -4.927 -8.191 0.410 1.00 0.00 C ATOM 1388 CD LYS A 455 -4.379 -6.984 -0.333 1.00 0.00 C ATOM 1389 CE LYS A 455 -5.424 -5.887 -0.462 1.00 0.00 C ATOM 1390 NZ LYS A 455 -6.517 -6.268 -1.401 1.00 0.00 N ATOM 0 H LYS A 455 -4.652 -8.426 3.741 1.00 0.00 H new ATOM 0 HA LYS A 455 -5.248 -10.407 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -3.518 -7.972 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -3.056 -9.155 0.797 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -5.227 -8.955 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -5.821 -7.904 0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -3.507 -6.597 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -4.044 -7.287 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -5.847 -5.671 0.519 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -4.948 -4.971 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -7.125 -5.443 -1.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -6.105 -6.596 -2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -7.085 -7.032 -0.981 1.00 0.00 H new ATOM 1404 N GLY A 456 -2.738 -10.701 3.748 1.00 0.00 N ATOM 1405 CA GLY A 456 -1.671 -11.588 4.169 1.00 0.00 C ATOM 1406 C GLY A 456 -2.186 -12.953 4.574 1.00 0.00 C ATOM 1407 O GLY A 456 -1.867 -13.960 3.939 1.00 0.00 O ATOM 0 H GLY A 456 -2.962 -9.957 4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 456 -0.952 -11.699 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 456 -1.138 -11.140 5.007 1.00 0.00 H new ATOM 1411 N LEU A 457 -2.988 -12.990 5.635 1.00 0.00 N ATOM 1412 CA LEU A 457 -3.554 -14.243 6.127 1.00 0.00 C ATOM 1413 C LEU A 457 -2.459 -15.269 6.410 1.00 0.00 C ATOM 1414 O LEU A 457 -1.274 -14.952 6.172 1.00 0.00 O ATOM 1415 CB LEU A 457 -4.551 -14.809 5.114 1.00 0.00 C ATOM 1416 CG LEU A 457 -5.838 -15.376 5.719 1.00 0.00 C ATOM 1417 CD1 LEU A 457 -6.950 -14.340 5.678 1.00 0.00 C ATOM 1418 CD2 LEU A 457 -6.261 -16.643 4.988 1.00 0.00 C ATOM 1419 OXT LEU A 457 -2.796 -16.382 6.866 1.00 0.00 O ATOM 0 H LEU A 457 -3.261 -12.166 6.171 1.00 0.00 H new ATOM 0 HA LEU A 457 -4.074 -14.032 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.816 -14.021 4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -4.058 -15.596 4.543 1.00 0.00 H new ATOM 0 HG LEU A 457 -5.643 -15.630 6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -7.856 -14.762 6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -6.649 -13.461 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -7.142 -14.054 4.644 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -7.178 -17.031 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -6.436 -16.415 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -5.473 -17.391 5.071 1.00 0.00 H new TER 1431 LEU A 457