USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 481 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 427 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 428 THR OG1 : rot 180:sc= 0 USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= -0.211 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 399 ASN : amide:sc= -0.696 K(o=-0.7,f=-0.18) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= -2.54! C(o=-2.5!,f=-4.2!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -6.03! C(o=-6!,f=-4.4!) USER MOD Single : A 410 LYS NZ :NH3+ -164:sc= -0.0471 (180deg=-0.273) USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 417 HIS : no HD1:sc= -0.677 K(o=-0.68,f=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -168:sc= -0.0241 (180deg=-0.169) USER MOD Single : A 426 GLN : amide:sc= -4.47! K(o=-4.5!,f=-1.4) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -130:sc= -0.0117 (180deg=-2.68!) USER MOD Single : A 434 ASN : amide:sc= -1 X(o=-1,f=-0.62) USER MOD Single : A 437 SER OG : rot 180:sc= 0 USER MOD Single : A 439 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 LYS NZ :NH3+ 167:sc= -0.0504 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 16.937 -3.325 -4.768 1.00 0.00 N ATOM 2 CA LEU A 386 17.142 -1.896 -4.784 1.00 0.00 C ATOM 3 C LEU A 386 16.008 -1.157 -4.108 1.00 0.00 C ATOM 4 O LEU A 386 15.086 -0.677 -4.742 1.00 0.00 O ATOM 5 CB LEU A 386 17.340 -1.416 -6.206 1.00 0.00 C ATOM 6 CG LEU A 386 18.525 -2.047 -6.939 1.00 0.00 C ATOM 7 CD1 LEU A 386 18.517 -1.654 -8.403 1.00 0.00 C ATOM 8 CD2 LEU A 386 19.835 -1.636 -6.285 1.00 0.00 C ATOM 0 HA LEU A 386 18.044 -1.677 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 386 16.431 -1.619 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 386 17.473 -0.334 -6.194 1.00 0.00 H new ATOM 0 HG LEU A 386 18.431 -3.131 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 386 19.367 -2.113 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 386 17.592 -1.997 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 386 18.586 -0.570 -8.489 1.00 0.00 H new ATOM 0 HD21 LEU A 386 20.668 -2.094 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 386 19.934 -0.551 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 386 19.843 -1.968 -5.247 1.00 0.00 H new ATOM 20 N ARG A 387 16.124 -1.123 -2.801 1.00 0.00 N ATOM 21 CA ARG A 387 15.221 -0.451 -1.871 1.00 0.00 C ATOM 22 C ARG A 387 14.764 0.971 -2.234 1.00 0.00 C ATOM 23 O ARG A 387 15.077 1.520 -3.288 1.00 0.00 O ATOM 24 CB ARG A 387 15.926 -0.366 -0.537 1.00 0.00 C ATOM 25 CG ARG A 387 15.826 -1.620 0.277 1.00 0.00 C ATOM 26 CD ARG A 387 16.953 -2.589 0.019 1.00 0.00 C ATOM 27 NE ARG A 387 16.896 -3.727 0.936 1.00 0.00 N ATOM 28 CZ ARG A 387 17.354 -4.950 0.658 1.00 0.00 C ATOM 29 NH1 ARG A 387 18.014 -5.181 -0.470 1.00 0.00 N ATOM 30 NH2 ARG A 387 17.174 -5.934 1.529 1.00 0.00 N ATOM 0 H ARG A 387 16.894 -1.589 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 387 14.312 -1.052 -1.882 1.00 0.00 H new ATOM 0 HB2 ARG A 387 16.978 -0.136 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 387 15.506 0.462 0.034 1.00 0.00 H new ATOM 0 HG2 ARG A 387 15.816 -1.358 1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 387 14.877 -2.111 0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 387 16.901 -2.945 -1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 387 17.909 -2.077 0.131 1.00 0.00 H new ATOM 0 HE ARG A 387 16.476 -3.576 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 387 18.174 -4.422 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 387 18.361 -6.118 -0.675 1.00 0.00 H new ATOM 0 HH21 ARG A 387 16.687 -5.755 2.407 1.00 0.00 H new ATOM 0 HH22 ARG A 387 17.522 -6.870 1.320 1.00 0.00 H new ATOM 44 N LYS A 388 14.038 1.542 -1.258 1.00 0.00 N ATOM 45 CA LYS A 388 13.460 2.890 -1.309 1.00 0.00 C ATOM 46 C LYS A 388 12.250 2.967 -2.230 1.00 0.00 C ATOM 47 O LYS A 388 12.322 3.435 -3.363 1.00 0.00 O ATOM 48 CB LYS A 388 14.482 3.904 -1.713 1.00 0.00 C ATOM 49 CG LYS A 388 14.033 5.338 -1.484 1.00 0.00 C ATOM 50 CD LYS A 388 15.077 6.328 -1.948 1.00 0.00 C ATOM 51 CE LYS A 388 16.352 6.222 -1.128 1.00 0.00 C ATOM 52 NZ LYS A 388 17.400 7.152 -1.613 1.00 0.00 N ATOM 0 H LYS A 388 13.832 1.059 -0.383 1.00 0.00 H new ATOM 0 HA LYS A 388 13.120 3.118 -0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 388 15.401 3.725 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 388 14.719 3.769 -2.768 1.00 0.00 H new ATOM 0 HG2 LYS A 388 13.099 5.517 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 388 13.830 5.492 -0.424 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.304 6.152 -2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.679 7.340 -1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.130 6.438 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS A 388 16.727 5.199 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 18.253 7.049 -1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 17.630 6.930 -2.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 17.053 8.130 -1.549 1.00 0.00 H new ATOM 66 N CYS A 389 11.147 2.508 -1.697 1.00 0.00 N ATOM 67 CA CYS A 389 9.861 2.508 -2.378 1.00 0.00 C ATOM 68 C CYS A 389 9.130 3.830 -2.154 1.00 0.00 C ATOM 69 O CYS A 389 9.374 4.522 -1.163 1.00 0.00 O ATOM 70 CB CYS A 389 9.003 1.370 -1.827 1.00 0.00 C ATOM 71 SG CYS A 389 9.944 -0.141 -1.432 1.00 0.00 S ATOM 0 H CYS A 389 11.108 2.113 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 389 10.032 2.376 -3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.494 1.715 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 389 8.230 1.125 -2.556 1.00 0.00 H new ATOM 76 N TYR A 390 8.231 4.167 -3.068 1.00 0.00 N ATOM 77 CA TYR A 390 7.386 5.345 -2.924 1.00 0.00 C ATOM 78 C TYR A 390 5.924 4.916 -2.894 1.00 0.00 C ATOM 79 O TYR A 390 5.476 4.167 -3.765 1.00 0.00 O ATOM 80 CB TYR A 390 7.631 6.322 -4.079 1.00 0.00 C ATOM 81 CG TYR A 390 6.851 7.615 -3.967 1.00 0.00 C ATOM 82 CD1 TYR A 390 7.344 8.679 -3.226 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.626 7.774 -4.605 1.00 0.00 C ATOM 84 CE1 TYR A 390 6.641 9.861 -3.120 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.916 8.954 -4.502 1.00 0.00 C ATOM 86 CZ TYR A 390 5.429 9.995 -3.758 1.00 0.00 C ATOM 87 OH TYR A 390 4.732 11.174 -3.656 1.00 0.00 O ATOM 0 H TYR A 390 8.067 3.637 -3.924 1.00 0.00 H new ATOM 0 HA TYR A 390 7.632 5.852 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.695 6.554 -4.126 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.370 5.832 -5.017 1.00 0.00 H new ATOM 0 HD1 TYR A 390 8.295 8.580 -2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.223 6.961 -5.191 1.00 0.00 H new ATOM 0 HE1 TYR A 390 7.040 10.679 -2.538 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.964 9.061 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 390 3.897 11.106 -4.165 1.00 0.00 H new ATOM 97 N PHE A 391 5.185 5.368 -1.891 1.00 0.00 N ATOM 98 CA PHE A 391 3.796 4.957 -1.738 1.00 0.00 C ATOM 99 C PHE A 391 2.890 5.775 -2.655 1.00 0.00 C ATOM 100 O PHE A 391 2.857 7.006 -2.570 1.00 0.00 O ATOM 101 CB PHE A 391 3.345 5.102 -0.287 1.00 0.00 C ATOM 102 CG PHE A 391 2.152 4.250 0.047 1.00 0.00 C ATOM 103 CD1 PHE A 391 0.865 4.726 -0.136 1.00 0.00 C ATOM 104 CD2 PHE A 391 2.321 2.964 0.534 1.00 0.00 C ATOM 105 CE1 PHE A 391 -0.229 3.938 0.165 1.00 0.00 C ATOM 106 CE2 PHE A 391 1.231 2.172 0.835 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.045 2.659 0.649 1.00 0.00 C ATOM 0 H PHE A 391 5.520 6.014 -1.176 1.00 0.00 H new ATOM 0 HA PHE A 391 3.722 3.907 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.171 4.835 0.372 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.105 6.147 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 391 0.715 5.725 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 391 3.318 2.576 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 391 -1.228 4.323 0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 391 1.378 1.172 1.216 1.00 0.00 H new ATOM 0 HZ PHE A 391 -0.899 2.041 0.882 1.00 0.00 H new ATOM 117 N PRO A 392 2.142 5.092 -3.534 1.00 0.00 N ATOM 118 CA PRO A 392 1.286 5.738 -4.531 1.00 0.00 C ATOM 119 C PRO A 392 -0.077 6.163 -3.978 1.00 0.00 C ATOM 120 O PRO A 392 -0.443 5.842 -2.845 1.00 0.00 O ATOM 121 CB PRO A 392 1.115 4.640 -5.579 1.00 0.00 C ATOM 122 CG PRO A 392 1.160 3.371 -4.801 1.00 0.00 C ATOM 123 CD PRO A 392 2.071 3.621 -3.627 1.00 0.00 C ATOM 0 HA PRO A 392 1.724 6.664 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.171 4.745 -6.113 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.909 4.676 -6.325 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.163 3.087 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.535 2.552 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.672 3.182 -2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 392 3.056 3.184 -3.787 1.00 0.00 H new ATOM 131 N TYR A 393 -0.816 6.892 -4.803 1.00 0.00 N ATOM 132 CA TYR A 393 -2.131 7.402 -4.441 1.00 0.00 C ATOM 133 C TYR A 393 -3.218 6.367 -4.723 1.00 0.00 C ATOM 134 O TYR A 393 -3.353 5.882 -5.847 1.00 0.00 O ATOM 135 CB TYR A 393 -2.404 8.690 -5.232 1.00 0.00 C ATOM 136 CG TYR A 393 -3.798 9.257 -5.064 1.00 0.00 C ATOM 137 CD1 TYR A 393 -4.106 10.090 -3.999 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.799 8.970 -5.985 1.00 0.00 C ATOM 139 CE1 TYR A 393 -5.376 10.613 -3.848 1.00 0.00 C ATOM 140 CE2 TYR A 393 -6.071 9.490 -5.843 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.355 10.313 -4.774 1.00 0.00 C ATOM 142 OH TYR A 393 -7.623 10.828 -4.626 1.00 0.00 O ATOM 0 H TYR A 393 -0.519 7.147 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.146 7.615 -3.372 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.681 9.446 -4.928 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.233 8.493 -6.290 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -3.341 10.334 -3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.578 8.329 -6.826 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.602 11.254 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.838 9.253 -6.565 1.00 0.00 H new ATOM 0 HH TYR A 393 -8.189 10.520 -5.364 1.00 0.00 H new ATOM 152 N LEU A 394 -3.978 6.020 -3.692 1.00 0.00 N ATOM 153 CA LEU A 394 -5.133 5.149 -3.855 1.00 0.00 C ATOM 154 C LEU A 394 -6.386 5.996 -3.997 1.00 0.00 C ATOM 155 O LEU A 394 -6.723 6.771 -3.101 1.00 0.00 O ATOM 156 CB LEU A 394 -5.310 4.185 -2.665 1.00 0.00 C ATOM 157 CG LEU A 394 -4.141 3.232 -2.372 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.672 2.541 -3.644 1.00 0.00 C ATOM 159 CD2 LEU A 394 -2.992 3.963 -1.696 1.00 0.00 C ATOM 0 H LEU A 394 -3.815 6.329 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.967 4.549 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.498 4.779 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.202 3.585 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.500 2.467 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.844 1.872 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -4.494 1.966 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.341 3.290 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -2.180 3.263 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -2.635 4.761 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -3.336 4.390 -0.754 1.00 0.00 H new ATOM 171 N GLU A 395 -7.061 5.857 -5.127 1.00 0.00 N ATOM 172 CA GLU A 395 -8.292 6.589 -5.372 1.00 0.00 C ATOM 173 C GLU A 395 -9.436 5.948 -4.603 1.00 0.00 C ATOM 174 O GLU A 395 -10.355 6.622 -4.147 1.00 0.00 O ATOM 175 CB GLU A 395 -8.613 6.618 -6.866 1.00 0.00 C ATOM 176 CG GLU A 395 -9.779 7.524 -7.215 1.00 0.00 C ATOM 177 CD GLU A 395 -9.916 7.751 -8.703 1.00 0.00 C ATOM 178 OE1 GLU A 395 -10.213 6.786 -9.438 1.00 0.00 O ATOM 179 OE2 GLU A 395 -9.724 8.901 -9.150 1.00 0.00 O ATOM 0 H GLU A 395 -6.776 5.243 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 395 -8.161 7.615 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.730 6.948 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -8.836 5.605 -7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.701 7.087 -6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -9.650 8.484 -6.715 1.00 0.00 H new ATOM 186 N ASN A 396 -9.358 4.637 -4.442 1.00 0.00 N ATOM 187 CA ASN A 396 -10.383 3.901 -3.722 1.00 0.00 C ATOM 188 C ASN A 396 -9.902 3.608 -2.310 1.00 0.00 C ATOM 189 O ASN A 396 -10.523 2.844 -1.564 1.00 0.00 O ATOM 190 CB ASN A 396 -10.716 2.590 -4.440 1.00 0.00 C ATOM 191 CG ASN A 396 -10.922 2.769 -5.934 1.00 0.00 C ATOM 192 OD1 ASN A 396 -10.003 2.560 -6.728 1.00 0.00 O ATOM 193 ND2 ASN A 396 -12.113 3.189 -6.328 1.00 0.00 N ATOM 0 H ASN A 396 -8.596 4.061 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.286 4.510 -3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -9.910 1.875 -4.273 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -11.618 2.161 -4.003 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -12.295 3.351 -7.319 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.849 3.351 -5.641 1.00 0.00 H new ATOM 200 N GLY A 397 -8.795 4.233 -1.939 1.00 0.00 N ATOM 201 CA GLY A 397 -8.204 3.989 -0.645 1.00 0.00 C ATOM 202 C GLY A 397 -7.867 5.263 0.087 1.00 0.00 C ATOM 203 O GLY A 397 -8.055 6.359 -0.442 1.00 0.00 O ATOM 0 H GLY A 397 -8.295 4.908 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -8.892 3.398 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.298 3.395 -0.769 1.00 0.00 H new ATOM 207 N TYR A 398 -7.398 5.126 1.315 1.00 0.00 N ATOM 208 CA TYR A 398 -6.958 6.267 2.089 1.00 0.00 C ATOM 209 C TYR A 398 -5.469 6.471 1.894 1.00 0.00 C ATOM 210 O TYR A 398 -4.649 5.682 2.370 1.00 0.00 O ATOM 211 CB TYR A 398 -7.288 6.081 3.569 1.00 0.00 C ATOM 212 CG TYR A 398 -8.721 6.421 3.910 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.728 5.471 3.812 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.063 7.700 4.324 1.00 0.00 C ATOM 215 CE1 TYR A 398 -11.038 5.787 4.120 1.00 0.00 C ATOM 216 CE2 TYR A 398 -10.368 8.024 4.635 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.351 7.065 4.530 1.00 0.00 C ATOM 218 OH TYR A 398 -12.652 7.387 4.839 1.00 0.00 O ATOM 0 H TYR A 398 -7.313 4.231 1.797 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.487 7.154 1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.090 5.047 3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.622 6.706 4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -9.484 4.469 3.490 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.295 8.455 4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.811 5.037 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -10.617 9.024 4.959 1.00 0.00 H new ATOM 0 HH TYR A 398 -12.700 8.327 5.111 1.00 0.00 H new ATOM 228 N ASN A 399 -5.127 7.538 1.200 1.00 0.00 N ATOM 229 CA ASN A 399 -3.748 7.814 0.832 1.00 0.00 C ATOM 230 C ASN A 399 -2.985 8.456 1.988 1.00 0.00 C ATOM 231 O ASN A 399 -2.276 9.447 1.814 1.00 0.00 O ATOM 232 CB ASN A 399 -3.702 8.700 -0.418 1.00 0.00 C ATOM 233 CG ASN A 399 -4.652 9.881 -0.344 1.00 0.00 C ATOM 234 OD1 ASN A 399 -4.302 10.951 0.151 1.00 0.00 O ATOM 235 ND2 ASN A 399 -5.862 9.692 -0.844 1.00 0.00 N ATOM 0 H ASN A 399 -5.794 8.238 0.875 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.258 6.868 0.604 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -2.685 9.067 -0.559 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -3.948 8.098 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -6.545 10.450 -0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -6.112 8.789 -1.246 1.00 0.00 H new ATOM 242 N GLN A 400 -3.120 7.856 3.166 1.00 0.00 N ATOM 243 CA GLN A 400 -2.429 8.311 4.362 1.00 0.00 C ATOM 244 C GLN A 400 -0.926 8.148 4.198 1.00 0.00 C ATOM 245 O GLN A 400 -0.139 8.944 4.707 1.00 0.00 O ATOM 246 CB GLN A 400 -2.902 7.503 5.573 1.00 0.00 C ATOM 247 CG GLN A 400 -4.389 7.636 5.862 1.00 0.00 C ATOM 248 CD GLN A 400 -4.840 6.735 6.990 1.00 0.00 C ATOM 249 OE1 GLN A 400 -4.799 7.113 8.159 1.00 0.00 O ATOM 250 NE2 GLN A 400 -5.289 5.538 6.648 1.00 0.00 N ATOM 0 H GLN A 400 -3.713 7.040 3.316 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.656 9.366 4.517 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -2.667 6.451 5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -2.341 7.822 6.452 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.616 8.672 6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -4.954 7.397 4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -5.307 5.261 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -5.617 4.892 7.366 1.00 0.00 H new ATOM 259 N ASN A 401 -0.539 7.113 3.464 1.00 0.00 N ATOM 260 CA ASN A 401 0.869 6.787 3.287 1.00 0.00 C ATOM 261 C ASN A 401 1.412 7.384 1.998 1.00 0.00 C ATOM 262 O ASN A 401 2.617 7.356 1.760 1.00 0.00 O ATOM 263 CB ASN A 401 1.073 5.270 3.281 1.00 0.00 C ATOM 264 CG ASN A 401 0.604 4.615 4.565 1.00 0.00 C ATOM 265 OD1 ASN A 401 0.701 5.196 5.647 1.00 0.00 O ATOM 266 ND2 ASN A 401 0.083 3.401 4.453 1.00 0.00 N ATOM 0 H ASN A 401 -1.181 6.485 2.981 1.00 0.00 H new ATOM 0 HA ASN A 401 1.417 7.217 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 401 0.533 4.838 2.438 1.00 0.00 H new ATOM 0 HB3 ASN A 401 2.130 5.050 3.130 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -0.256 2.913 5.282 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.021 2.955 3.538 1.00 0.00 H new ATOM 273 N TYR A 402 0.525 7.916 1.164 1.00 0.00 N ATOM 274 CA TYR A 402 0.939 8.532 -0.088 1.00 0.00 C ATOM 275 C TYR A 402 1.884 9.691 0.184 1.00 0.00 C ATOM 276 O TYR A 402 1.597 10.557 1.010 1.00 0.00 O ATOM 277 CB TYR A 402 -0.275 9.024 -0.879 1.00 0.00 C ATOM 278 CG TYR A 402 0.079 9.944 -2.027 1.00 0.00 C ATOM 279 CD1 TYR A 402 0.629 9.451 -3.205 1.00 0.00 C ATOM 280 CD2 TYR A 402 -0.128 11.311 -1.924 1.00 0.00 C ATOM 281 CE1 TYR A 402 0.956 10.298 -4.247 1.00 0.00 C ATOM 282 CE2 TYR A 402 0.195 12.160 -2.959 1.00 0.00 C ATOM 283 CZ TYR A 402 0.739 11.651 -4.114 1.00 0.00 C ATOM 284 OH TYR A 402 1.065 12.505 -5.141 1.00 0.00 O ATOM 0 H TYR A 402 -0.481 7.932 1.333 1.00 0.00 H new ATOM 0 HA TYR A 402 1.458 7.780 -0.682 1.00 0.00 H new ATOM 0 HB2 TYR A 402 -0.817 8.162 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 402 -0.951 9.546 -0.202 1.00 0.00 H new ATOM 0 HD1 TYR A 402 0.803 8.390 -3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 402 -0.550 11.717 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 402 1.378 9.902 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 402 0.022 13.222 -2.864 1.00 0.00 H new ATOM 0 HH TYR A 402 0.846 13.425 -4.883 1.00 0.00 H new ATOM 294 N GLY A 403 3.014 9.695 -0.502 1.00 0.00 N ATOM 295 CA GLY A 403 3.991 10.745 -0.304 1.00 0.00 C ATOM 296 C GLY A 403 5.050 10.327 0.687 1.00 0.00 C ATOM 297 O GLY A 403 5.903 11.122 1.081 1.00 0.00 O ATOM 0 H GLY A 403 3.273 8.991 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.459 10.994 -1.256 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.492 11.647 0.052 1.00 0.00 H new ATOM 301 N ARG A 404 4.975 9.077 1.112 1.00 0.00 N ATOM 302 CA ARG A 404 5.976 8.507 1.991 1.00 0.00 C ATOM 303 C ARG A 404 6.891 7.578 1.229 1.00 0.00 C ATOM 304 O ARG A 404 6.480 6.930 0.263 1.00 0.00 O ATOM 305 CB ARG A 404 5.335 7.736 3.139 1.00 0.00 C ATOM 306 CG ARG A 404 4.753 8.619 4.222 1.00 0.00 C ATOM 307 CD ARG A 404 4.134 7.787 5.334 1.00 0.00 C ATOM 308 NE ARG A 404 3.938 8.563 6.556 1.00 0.00 N ATOM 309 CZ ARG A 404 2.988 8.314 7.457 1.00 0.00 C ATOM 310 NH1 ARG A 404 2.088 7.360 7.239 1.00 0.00 N ATOM 311 NH2 ARG A 404 2.935 9.026 8.574 1.00 0.00 N ATOM 0 H ARG A 404 4.224 8.435 0.859 1.00 0.00 H new ATOM 0 HA ARG A 404 6.553 9.337 2.399 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.545 7.099 2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.082 7.078 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.535 9.258 4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 404 3.997 9.277 3.792 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.175 7.391 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 404 4.776 6.932 5.547 1.00 0.00 H new ATOM 0 HE ARG A 404 4.569 9.345 6.731 1.00 0.00 H new ATOM 0 HH11 ARG A 404 2.122 6.814 6.378 1.00 0.00 H new ATOM 0 HH12 ARG A 404 1.363 7.174 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.620 9.762 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 404 2.209 8.837 9.265 1.00 0.00 H new ATOM 325 N LYS A 405 8.127 7.522 1.671 1.00 0.00 N ATOM 326 CA LYS A 405 9.104 6.630 1.107 1.00 0.00 C ATOM 327 C LYS A 405 9.694 5.758 2.196 1.00 0.00 C ATOM 328 O LYS A 405 9.894 6.203 3.326 1.00 0.00 O ATOM 329 CB LYS A 405 10.184 7.434 0.401 1.00 0.00 C ATOM 330 CG LYS A 405 9.656 8.156 -0.828 1.00 0.00 C ATOM 331 CD LYS A 405 10.640 9.167 -1.396 1.00 0.00 C ATOM 332 CE LYS A 405 10.777 10.381 -0.489 1.00 0.00 C ATOM 333 NZ LYS A 405 11.328 11.555 -1.215 1.00 0.00 N ATOM 0 H LYS A 405 8.480 8.098 2.435 1.00 0.00 H new ATOM 0 HA LYS A 405 8.627 5.980 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.604 8.162 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.996 6.768 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.414 7.422 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.728 8.666 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.614 8.696 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 405 10.307 9.485 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.802 10.636 -0.074 1.00 0.00 H new ATOM 0 HE3 LYS A 405 11.427 10.135 0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 11.406 12.361 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 12.269 11.321 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 10.695 11.806 -2.001 1.00 0.00 H new ATOM 347 N PHE A 406 9.969 4.524 1.841 1.00 0.00 N ATOM 348 CA PHE A 406 10.419 3.521 2.794 1.00 0.00 C ATOM 349 C PHE A 406 11.515 2.685 2.162 1.00 0.00 C ATOM 350 O PHE A 406 11.598 2.598 0.942 1.00 0.00 O ATOM 351 CB PHE A 406 9.259 2.599 3.206 1.00 0.00 C ATOM 352 CG PHE A 406 8.076 3.309 3.803 1.00 0.00 C ATOM 353 CD1 PHE A 406 8.091 3.719 5.124 1.00 0.00 C ATOM 354 CD2 PHE A 406 6.941 3.550 3.044 1.00 0.00 C ATOM 355 CE1 PHE A 406 7.001 4.359 5.677 1.00 0.00 C ATOM 356 CE2 PHE A 406 5.848 4.191 3.591 1.00 0.00 C ATOM 357 CZ PHE A 406 5.876 4.593 4.910 1.00 0.00 C ATOM 0 H PHE A 406 9.889 4.181 0.884 1.00 0.00 H new ATOM 0 HA PHE A 406 10.795 4.030 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.927 2.041 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.630 1.870 3.926 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.966 3.536 5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.912 3.232 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.027 4.677 6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.972 4.378 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 406 5.020 5.090 5.342 1.00 0.00 H new ATOM 367 N VAL A 407 12.352 2.076 2.975 1.00 0.00 N ATOM 368 CA VAL A 407 13.355 1.170 2.451 1.00 0.00 C ATOM 369 C VAL A 407 12.778 -0.234 2.347 1.00 0.00 C ATOM 370 O VAL A 407 12.043 -0.680 3.226 1.00 0.00 O ATOM 371 CB VAL A 407 14.639 1.149 3.307 1.00 0.00 C ATOM 372 CG1 VAL A 407 15.344 2.495 3.235 1.00 0.00 C ATOM 373 CG2 VAL A 407 14.331 0.787 4.752 1.00 0.00 C ATOM 0 H VAL A 407 12.360 2.189 3.989 1.00 0.00 H new ATOM 0 HA VAL A 407 13.634 1.533 1.462 1.00 0.00 H new ATOM 0 HB VAL A 407 15.301 0.383 2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 407 16.248 2.465 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 407 15.610 2.711 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 407 14.680 3.274 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.255 0.780 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 407 13.645 1.522 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 407 13.872 -0.201 4.790 1.00 0.00 H new ATOM 383 N GLN A 408 13.079 -0.904 1.239 1.00 0.00 N ATOM 384 CA GLN A 408 12.584 -2.259 1.000 1.00 0.00 C ATOM 385 C GLN A 408 12.917 -3.178 2.172 1.00 0.00 C ATOM 386 O GLN A 408 14.018 -3.138 2.722 1.00 0.00 O ATOM 387 CB GLN A 408 13.137 -2.842 -0.309 1.00 0.00 C ATOM 388 CG GLN A 408 13.212 -4.359 -0.276 1.00 0.00 C ATOM 389 CD GLN A 408 13.945 -5.001 -1.426 1.00 0.00 C ATOM 390 OE1 GLN A 408 13.649 -6.129 -1.793 1.00 0.00 O ATOM 391 NE2 GLN A 408 14.862 -4.288 -2.034 1.00 0.00 N ATOM 0 H GLN A 408 13.664 -0.532 0.491 1.00 0.00 H new ATOM 0 HA GLN A 408 11.500 -2.194 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 408 12.504 -2.529 -1.140 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.131 -2.435 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.696 -4.661 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.197 -4.754 -0.250 1.00 0.00 H new ATOM 0 HE21 GLN A 408 15.083 -3.350 -1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 408 15.354 -4.671 -2.841 1.00 0.00 H new ATOM 400 N GLY A 409 11.948 -3.998 2.536 1.00 0.00 N ATOM 401 CA GLY A 409 12.075 -4.845 3.699 1.00 0.00 C ATOM 402 C GLY A 409 11.135 -4.374 4.776 1.00 0.00 C ATOM 403 O GLY A 409 11.157 -4.850 5.907 1.00 0.00 O ATOM 0 H GLY A 409 11.063 -4.093 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.851 -5.878 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 409 13.102 -4.825 4.065 1.00 0.00 H new ATOM 407 N LYS A 410 10.299 -3.424 4.395 1.00 0.00 N ATOM 408 CA LYS A 410 9.360 -2.807 5.296 1.00 0.00 C ATOM 409 C LYS A 410 7.949 -3.175 4.904 1.00 0.00 C ATOM 410 O LYS A 410 7.668 -3.420 3.736 1.00 0.00 O ATOM 411 CB LYS A 410 9.522 -1.294 5.236 1.00 0.00 C ATOM 412 CG LYS A 410 10.595 -0.749 6.158 1.00 0.00 C ATOM 413 CD LYS A 410 10.232 -0.940 7.620 1.00 0.00 C ATOM 414 CE LYS A 410 11.345 -0.454 8.530 1.00 0.00 C ATOM 415 NZ LYS A 410 12.583 -1.261 8.369 1.00 0.00 N ATOM 0 H LYS A 410 10.258 -3.061 3.443 1.00 0.00 H new ATOM 0 HA LYS A 410 9.553 -3.159 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 410 9.757 -1.005 4.212 1.00 0.00 H new ATOM 0 HB3 LYS A 410 8.570 -0.827 5.488 1.00 0.00 H new ATOM 0 HG2 LYS A 410 11.541 -1.249 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.744 0.312 5.956 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.313 -0.398 7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 410 10.035 -1.994 7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 410 11.562 0.592 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 410 11.013 -0.501 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 13.217 -1.088 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 12.337 -2.271 8.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 13.062 -0.990 7.487 1.00 0.00 H new ATOM 429 N SER A 411 7.070 -3.202 5.872 1.00 0.00 N ATOM 430 CA SER A 411 5.674 -3.452 5.608 1.00 0.00 C ATOM 431 C SER A 411 4.845 -2.410 6.319 1.00 0.00 C ATOM 432 O SER A 411 5.261 -1.852 7.338 1.00 0.00 O ATOM 433 CB SER A 411 5.275 -4.858 6.046 1.00 0.00 C ATOM 434 OG SER A 411 3.920 -5.139 5.738 1.00 0.00 O ATOM 0 H SER A 411 7.296 -3.053 6.855 1.00 0.00 H new ATOM 0 HA SER A 411 5.495 -3.386 4.535 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.919 -5.588 5.555 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.434 -4.963 7.119 1.00 0.00 H new ATOM 0 HG SER A 411 3.700 -6.048 6.031 1.00 0.00 H new ATOM 440 N ILE A 412 3.683 -2.155 5.781 1.00 0.00 N ATOM 441 CA ILE A 412 2.835 -1.090 6.276 1.00 0.00 C ATOM 442 C ILE A 412 1.382 -1.414 5.986 1.00 0.00 C ATOM 443 O ILE A 412 1.053 -2.040 4.973 1.00 0.00 O ATOM 444 CB ILE A 412 3.255 0.274 5.656 1.00 0.00 C ATOM 445 CG1 ILE A 412 3.113 1.415 6.666 1.00 0.00 C ATOM 446 CG2 ILE A 412 2.478 0.585 4.384 1.00 0.00 C ATOM 447 CD1 ILE A 412 1.714 1.941 6.808 1.00 0.00 C ATOM 0 H ILE A 412 3.294 -2.672 4.992 1.00 0.00 H new ATOM 0 HA ILE A 412 2.954 -1.006 7.356 1.00 0.00 H new ATOM 0 HB ILE A 412 4.308 0.186 5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 412 3.459 1.068 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 412 3.768 2.233 6.367 1.00 0.00 H new ATOM 0 HG21 ILE A 412 2.803 1.546 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 412 2.662 -0.195 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.412 0.628 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 412 1.701 2.747 7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.369 2.321 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 412 1.055 1.138 7.139 1.00 0.00 H new ATOM 459 N ASP A 413 0.535 -1.029 6.913 1.00 0.00 N ATOM 460 CA ASP A 413 -0.888 -1.298 6.826 1.00 0.00 C ATOM 461 C ASP A 413 -1.568 -0.269 5.939 1.00 0.00 C ATOM 462 O ASP A 413 -1.276 0.927 6.011 1.00 0.00 O ATOM 463 CB ASP A 413 -1.500 -1.284 8.223 1.00 0.00 C ATOM 464 CG ASP A 413 -3.001 -1.496 8.223 1.00 0.00 C ATOM 465 OD1 ASP A 413 -3.449 -2.650 8.056 1.00 0.00 O ATOM 466 OD2 ASP A 413 -3.744 -0.509 8.416 1.00 0.00 O ATOM 0 H ASP A 413 0.811 -0.519 7.752 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.037 -2.283 6.383 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -1.030 -2.062 8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.275 -0.331 8.701 1.00 0.00 H new ATOM 471 N VAL A 414 -2.468 -0.739 5.102 1.00 0.00 N ATOM 472 CA VAL A 414 -3.159 0.122 4.158 1.00 0.00 C ATOM 473 C VAL A 414 -4.661 0.047 4.372 1.00 0.00 C ATOM 474 O VAL A 414 -5.240 -1.041 4.401 1.00 0.00 O ATOM 475 CB VAL A 414 -2.831 -0.258 2.697 1.00 0.00 C ATOM 476 CG1 VAL A 414 -3.565 0.650 1.720 1.00 0.00 C ATOM 477 CG2 VAL A 414 -1.332 -0.200 2.456 1.00 0.00 C ATOM 0 H VAL A 414 -2.742 -1.720 5.054 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.814 1.141 4.336 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.170 -1.280 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.317 0.362 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -4.640 0.555 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.264 1.684 1.888 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.119 -0.471 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -0.971 0.810 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -0.829 -0.898 3.125 1.00 0.00 H new ATOM 487 N ALA A 415 -5.282 1.202 4.541 1.00 0.00 N ATOM 488 CA ALA A 415 -6.719 1.277 4.710 1.00 0.00 C ATOM 489 C ALA A 415 -7.366 1.874 3.470 1.00 0.00 C ATOM 490 O ALA A 415 -6.960 2.937 2.994 1.00 0.00 O ATOM 491 CB ALA A 415 -7.069 2.102 5.937 1.00 0.00 C ATOM 0 H ALA A 415 -4.808 2.105 4.565 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.103 0.267 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.152 2.147 6.048 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.633 1.640 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -6.673 3.111 5.822 1.00 0.00 H new ATOM 497 N CYS A 416 -8.359 1.187 2.944 1.00 0.00 N ATOM 498 CA CYS A 416 -9.088 1.672 1.791 1.00 0.00 C ATOM 499 C CYS A 416 -10.457 2.165 2.234 1.00 0.00 C ATOM 500 O CYS A 416 -10.769 2.148 3.426 1.00 0.00 O ATOM 501 CB CYS A 416 -9.226 0.562 0.745 1.00 0.00 C ATOM 502 SG CYS A 416 -7.635 -0.153 0.209 1.00 0.00 S ATOM 0 H CYS A 416 -8.681 0.287 3.299 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.541 2.498 1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -9.851 -0.232 1.153 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -9.746 0.960 -0.126 1.00 0.00 H new ATOM 507 N HIS A 417 -11.271 2.616 1.294 1.00 0.00 N ATOM 508 CA HIS A 417 -12.623 3.036 1.630 1.00 0.00 C ATOM 509 C HIS A 417 -13.493 1.806 1.852 1.00 0.00 C ATOM 510 O HIS A 417 -13.192 0.729 1.332 1.00 0.00 O ATOM 511 CB HIS A 417 -13.228 3.927 0.538 1.00 0.00 C ATOM 512 CG HIS A 417 -12.539 5.250 0.374 1.00 0.00 C ATOM 513 ND1 HIS A 417 -13.185 6.460 0.503 1.00 0.00 N ATOM 514 CD2 HIS A 417 -11.253 5.549 0.089 1.00 0.00 C ATOM 515 CE1 HIS A 417 -12.323 7.441 0.311 1.00 0.00 C ATOM 516 NE2 HIS A 417 -11.142 6.915 0.056 1.00 0.00 N ATOM 0 H HIS A 417 -11.026 2.700 0.307 1.00 0.00 H new ATOM 0 HA HIS A 417 -12.581 3.627 2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.195 3.392 -0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.279 4.103 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -10.456 4.840 -0.082 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -12.548 8.496 0.355 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -10.287 7.438 -0.134 1.00 0.00 H new ATOM 525 N PRO A 418 -14.567 1.954 2.641 1.00 0.00 N ATOM 526 CA PRO A 418 -15.480 0.858 2.986 1.00 0.00 C ATOM 527 C PRO A 418 -15.989 0.117 1.758 1.00 0.00 C ATOM 528 O PRO A 418 -16.734 0.672 0.948 1.00 0.00 O ATOM 529 CB PRO A 418 -16.630 1.574 3.698 1.00 0.00 C ATOM 530 CG PRO A 418 -16.003 2.789 4.271 1.00 0.00 C ATOM 531 CD PRO A 418 -14.983 3.219 3.259 1.00 0.00 C ATOM 0 HA PRO A 418 -14.993 0.094 3.592 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.431 1.829 3.004 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.069 0.948 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -16.743 3.571 4.441 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -15.538 2.576 5.233 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -15.408 3.904 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -14.144 3.733 3.727 1.00 0.00 H new ATOM 539 N GLY A 419 -15.565 -1.127 1.620 1.00 0.00 N ATOM 540 CA GLY A 419 -15.971 -1.933 0.489 1.00 0.00 C ATOM 541 C GLY A 419 -14.800 -2.286 -0.402 1.00 0.00 C ATOM 542 O GLY A 419 -14.904 -3.155 -1.270 1.00 0.00 O ATOM 0 H GLY A 419 -14.942 -1.597 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.444 -2.848 0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.719 -1.393 -0.092 1.00 0.00 H new ATOM 546 N TYR A 420 -13.678 -1.616 -0.183 1.00 0.00 N ATOM 547 CA TYR A 420 -12.479 -1.859 -0.965 1.00 0.00 C ATOM 548 C TYR A 420 -11.406 -2.517 -0.111 1.00 0.00 C ATOM 549 O TYR A 420 -11.330 -2.281 1.097 1.00 0.00 O ATOM 550 CB TYR A 420 -11.958 -0.548 -1.555 1.00 0.00 C ATOM 551 CG TYR A 420 -12.934 0.110 -2.504 1.00 0.00 C ATOM 552 CD1 TYR A 420 -13.199 -0.449 -3.747 1.00 0.00 C ATOM 553 CD2 TYR A 420 -13.601 1.278 -2.154 1.00 0.00 C ATOM 554 CE1 TYR A 420 -14.092 0.141 -4.620 1.00 0.00 C ATOM 555 CE2 TYR A 420 -14.496 1.875 -3.023 1.00 0.00 C ATOM 556 CZ TYR A 420 -14.741 1.300 -4.251 1.00 0.00 C ATOM 557 OH TYR A 420 -15.628 1.893 -5.121 1.00 0.00 O ATOM 0 H TYR A 420 -13.575 -0.897 0.533 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.731 -2.536 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.730 0.142 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.023 -0.741 -2.082 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -12.698 -1.361 -4.036 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -13.418 1.726 -1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -14.281 -0.303 -5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -15.000 2.787 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 420 -16.000 2.700 -4.709 1.00 0.00 H new ATOM 567 N ALA A 421 -10.585 -3.341 -0.743 1.00 0.00 N ATOM 568 CA ALA A 421 -9.517 -4.048 -0.058 1.00 0.00 C ATOM 569 C ALA A 421 -8.427 -4.442 -1.039 1.00 0.00 C ATOM 570 O ALA A 421 -8.648 -4.455 -2.253 1.00 0.00 O ATOM 571 CB ALA A 421 -10.064 -5.282 0.646 1.00 0.00 C ATOM 0 H ALA A 421 -10.641 -3.537 -1.742 1.00 0.00 H new ATOM 0 HA ALA A 421 -9.087 -3.382 0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -9.251 -5.801 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.816 -4.981 1.376 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.517 -5.949 -0.088 1.00 0.00 H new ATOM 577 N LEU A 422 -7.255 -4.754 -0.512 1.00 0.00 N ATOM 578 CA LEU A 422 -6.137 -5.197 -1.328 1.00 0.00 C ATOM 579 C LEU A 422 -6.425 -6.554 -1.947 1.00 0.00 C ATOM 580 O LEU A 422 -7.275 -7.304 -1.457 1.00 0.00 O ATOM 581 CB LEU A 422 -4.871 -5.288 -0.481 1.00 0.00 C ATOM 582 CG LEU A 422 -4.338 -3.956 0.050 1.00 0.00 C ATOM 583 CD1 LEU A 422 -3.169 -4.188 0.991 1.00 0.00 C ATOM 584 CD2 LEU A 422 -3.921 -3.051 -1.094 1.00 0.00 C ATOM 0 H LEU A 422 -7.052 -4.708 0.487 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.992 -4.468 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -5.068 -5.945 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -4.090 -5.761 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 422 -5.138 -3.465 0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.802 -3.230 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.495 -4.799 1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.369 -4.702 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.545 -2.109 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -3.138 -3.537 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.780 -2.856 -1.735 1.00 0.00 H new ATOM 596 N PRO A 423 -5.723 -6.879 -3.038 1.00 0.00 N ATOM 597 CA PRO A 423 -5.832 -8.179 -3.688 1.00 0.00 C ATOM 598 C PRO A 423 -5.598 -9.317 -2.705 1.00 0.00 C ATOM 599 O PRO A 423 -4.684 -9.256 -1.881 1.00 0.00 O ATOM 600 CB PRO A 423 -4.733 -8.148 -4.748 1.00 0.00 C ATOM 601 CG PRO A 423 -4.503 -6.703 -5.013 1.00 0.00 C ATOM 602 CD PRO A 423 -4.762 -6.000 -3.720 1.00 0.00 C ATOM 0 HA PRO A 423 -6.825 -8.351 -4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.825 -8.634 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.041 -8.672 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -3.483 -6.527 -5.355 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.169 -6.339 -5.795 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.848 -5.878 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.173 -5.003 -3.880 1.00 0.00 H new ATOM 610 N LYS A 424 -6.457 -10.326 -2.786 1.00 0.00 N ATOM 611 CA LYS A 424 -6.410 -11.496 -1.901 1.00 0.00 C ATOM 612 C LYS A 424 -6.814 -11.121 -0.476 1.00 0.00 C ATOM 613 O LYS A 424 -6.554 -11.867 0.471 1.00 0.00 O ATOM 614 CB LYS A 424 -5.019 -12.147 -1.904 1.00 0.00 C ATOM 615 CG LYS A 424 -4.604 -12.706 -3.256 1.00 0.00 C ATOM 616 CD LYS A 424 -3.192 -13.264 -3.213 1.00 0.00 C ATOM 617 CE LYS A 424 -2.791 -13.881 -4.545 1.00 0.00 C ATOM 618 NZ LYS A 424 -3.613 -15.076 -4.878 1.00 0.00 N ATOM 0 H LYS A 424 -7.213 -10.361 -3.470 1.00 0.00 H new ATOM 0 HA LYS A 424 -7.126 -12.223 -2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -4.283 -11.409 -1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -5.003 -12.951 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -5.298 -13.491 -3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -4.664 -11.921 -4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -2.494 -12.468 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -3.122 -14.016 -2.427 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -2.896 -13.137 -5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -1.739 -14.163 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -3.183 -15.581 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -3.657 -15.708 -4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -4.575 -14.775 -5.135 1.00 0.00 H new ATOM 632 N ALA A 425 -7.467 -9.965 -0.346 1.00 0.00 N ATOM 633 CA ALA A 425 -7.936 -9.456 0.943 1.00 0.00 C ATOM 634 C ALA A 425 -6.772 -9.167 1.885 1.00 0.00 C ATOM 635 O ALA A 425 -6.845 -9.440 3.087 1.00 0.00 O ATOM 636 CB ALA A 425 -8.925 -10.418 1.587 1.00 0.00 C ATOM 0 H ALA A 425 -7.686 -9.355 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 425 -8.453 -8.515 0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -9.256 -10.013 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -9.785 -10.549 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -8.442 -11.382 1.749 1.00 0.00 H new ATOM 642 N GLN A 426 -5.698 -8.620 1.332 1.00 0.00 N ATOM 643 CA GLN A 426 -4.538 -8.234 2.126 1.00 0.00 C ATOM 644 C GLN A 426 -4.796 -6.913 2.840 1.00 0.00 C ATOM 645 O GLN A 426 -5.673 -6.141 2.448 1.00 0.00 O ATOM 646 CB GLN A 426 -3.294 -8.115 1.239 1.00 0.00 C ATOM 647 CG GLN A 426 -2.840 -9.436 0.644 1.00 0.00 C ATOM 648 CD GLN A 426 -1.700 -9.284 -0.348 1.00 0.00 C ATOM 649 OE1 GLN A 426 -0.875 -10.185 -0.504 1.00 0.00 O ATOM 650 NE2 GLN A 426 -1.635 -8.143 -1.022 1.00 0.00 N ATOM 0 H GLN A 426 -5.605 -8.433 0.334 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.363 -9.009 2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.501 -7.414 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.479 -7.692 1.826 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.527 -10.101 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -3.685 -9.913 0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -2.336 -7.418 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -0.884 -7.990 -1.695 1.00 0.00 H new ATOM 659 N THR A 427 -4.042 -6.667 3.900 1.00 0.00 N ATOM 660 CA THR A 427 -4.169 -5.435 4.661 1.00 0.00 C ATOM 661 C THR A 427 -2.842 -4.691 4.695 1.00 0.00 C ATOM 662 O THR A 427 -2.780 -3.516 5.057 1.00 0.00 O ATOM 663 CB THR A 427 -4.624 -5.725 6.106 1.00 0.00 C ATOM 664 OG1 THR A 427 -3.721 -6.648 6.732 1.00 0.00 O ATOM 665 CG2 THR A 427 -6.035 -6.295 6.130 1.00 0.00 C ATOM 0 H THR A 427 -3.332 -7.308 4.254 1.00 0.00 H new ATOM 0 HA THR A 427 -4.920 -4.817 4.169 1.00 0.00 H new ATOM 0 HB THR A 427 -4.621 -4.784 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.017 -6.824 7.649 1.00 0.00 H new ATOM 0 HG21 THR A 427 -6.331 -6.490 7.161 1.00 0.00 H new ATOM 0 HG22 THR A 427 -6.725 -5.578 5.684 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.061 -7.225 5.562 1.00 0.00 H new ATOM 673 N THR A 428 -1.784 -5.385 4.303 1.00 0.00 N ATOM 674 CA THR A 428 -0.449 -4.846 4.372 1.00 0.00 C ATOM 675 C THR A 428 0.248 -4.897 3.015 1.00 0.00 C ATOM 676 O THR A 428 -0.028 -5.775 2.195 1.00 0.00 O ATOM 677 CB THR A 428 0.367 -5.643 5.392 1.00 0.00 C ATOM 678 OG1 THR A 428 -0.181 -6.963 5.526 1.00 0.00 O ATOM 679 CG2 THR A 428 0.389 -4.952 6.745 1.00 0.00 C ATOM 0 H THR A 428 -1.834 -6.333 3.931 1.00 0.00 H new ATOM 0 HA THR A 428 -0.521 -3.802 4.676 1.00 0.00 H new ATOM 0 HB THR A 428 1.393 -5.707 5.030 1.00 0.00 H new ATOM 0 HG1 THR A 428 0.345 -7.471 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.977 -5.544 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.836 -3.963 6.641 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.630 -4.852 7.119 1.00 0.00 H new ATOM 687 N VAL A 429 1.139 -3.945 2.780 1.00 0.00 N ATOM 688 CA VAL A 429 1.956 -3.932 1.583 1.00 0.00 C ATOM 689 C VAL A 429 3.418 -3.819 1.981 1.00 0.00 C ATOM 690 O VAL A 429 3.772 -3.051 2.877 1.00 0.00 O ATOM 691 CB VAL A 429 1.592 -2.770 0.629 1.00 0.00 C ATOM 692 CG1 VAL A 429 2.265 -2.949 -0.714 1.00 0.00 C ATOM 693 CG2 VAL A 429 0.087 -2.651 0.451 1.00 0.00 C ATOM 0 H VAL A 429 1.313 -3.164 3.413 1.00 0.00 H new ATOM 0 HA VAL A 429 1.770 -4.862 1.046 1.00 0.00 H new ATOM 0 HB VAL A 429 1.954 -1.847 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 429 1.995 -2.121 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 429 3.346 -2.968 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.939 -3.887 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -0.135 -1.825 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -0.304 -3.578 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -0.380 -2.464 1.418 1.00 0.00 H new ATOM 703 N THR A 430 4.253 -4.604 1.333 1.00 0.00 N ATOM 704 CA THR A 430 5.658 -4.666 1.666 1.00 0.00 C ATOM 705 C THR A 430 6.508 -3.897 0.654 1.00 0.00 C ATOM 706 O THR A 430 6.455 -4.156 -0.550 1.00 0.00 O ATOM 707 CB THR A 430 6.117 -6.131 1.723 1.00 0.00 C ATOM 708 OG1 THR A 430 5.271 -6.858 2.621 1.00 0.00 O ATOM 709 CG2 THR A 430 7.560 -6.244 2.184 1.00 0.00 C ATOM 0 H THR A 430 3.977 -5.214 0.564 1.00 0.00 H new ATOM 0 HA THR A 430 5.792 -4.200 2.642 1.00 0.00 H new ATOM 0 HB THR A 430 6.049 -6.549 0.719 1.00 0.00 H new ATOM 0 HG1 THR A 430 5.561 -7.794 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 430 7.852 -7.294 2.213 1.00 0.00 H new ATOM 0 HG22 THR A 430 8.207 -5.707 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 430 7.659 -5.813 3.180 1.00 0.00 H new ATOM 717 N CYS A 431 7.267 -2.941 1.169 1.00 0.00 N ATOM 718 CA CYS A 431 8.235 -2.178 0.392 1.00 0.00 C ATOM 719 C CYS A 431 9.322 -3.110 -0.110 1.00 0.00 C ATOM 720 O CYS A 431 10.033 -3.709 0.690 1.00 0.00 O ATOM 721 CB CYS A 431 8.842 -1.101 1.299 1.00 0.00 C ATOM 722 SG CYS A 431 10.160 -0.058 0.578 1.00 0.00 S ATOM 0 H CYS A 431 7.228 -2.669 2.151 1.00 0.00 H new ATOM 0 HA CYS A 431 7.752 -1.708 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.037 -0.447 1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.244 -1.591 2.185 1.00 0.00 H new ATOM 727 N MET A 432 9.435 -3.263 -1.423 1.00 0.00 N ATOM 728 CA MET A 432 10.429 -4.151 -1.993 1.00 0.00 C ATOM 729 C MET A 432 10.983 -3.646 -3.295 1.00 0.00 C ATOM 730 O MET A 432 10.245 -3.291 -4.204 1.00 0.00 O ATOM 731 CB MET A 432 9.870 -5.532 -2.183 1.00 0.00 C ATOM 732 CG MET A 432 9.791 -6.280 -0.887 1.00 0.00 C ATOM 733 SD MET A 432 9.623 -8.063 -1.106 1.00 0.00 S ATOM 734 CE MET A 432 9.758 -8.628 0.589 1.00 0.00 C ATOM 0 H MET A 432 8.851 -2.784 -2.108 1.00 0.00 H new ATOM 0 HA MET A 432 11.251 -4.186 -1.278 1.00 0.00 H new ATOM 0 HB2 MET A 432 8.876 -5.465 -2.626 1.00 0.00 H new ATOM 0 HB3 MET A 432 10.495 -6.084 -2.885 1.00 0.00 H new ATOM 0 HG2 MET A 432 10.687 -6.075 -0.301 1.00 0.00 H new ATOM 0 HG3 MET A 432 8.943 -5.909 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 432 10.493 -9.430 0.648 1.00 0.00 H new ATOM 0 HE2 MET A 432 10.073 -7.800 1.224 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.790 -8.998 0.928 1.00 0.00 H new ATOM 744 N GLU A 433 12.302 -3.711 -3.360 1.00 0.00 N ATOM 745 CA GLU A 433 13.118 -3.094 -4.402 1.00 0.00 C ATOM 746 C GLU A 433 12.443 -1.862 -4.966 1.00 0.00 C ATOM 747 O GLU A 433 11.951 -1.854 -6.095 1.00 0.00 O ATOM 748 CB GLU A 433 13.460 -4.081 -5.504 1.00 0.00 C ATOM 749 CG GLU A 433 14.415 -3.517 -6.543 1.00 0.00 C ATOM 750 CD GLU A 433 14.886 -4.557 -7.527 1.00 0.00 C ATOM 751 OE1 GLU A 433 15.581 -5.498 -7.099 1.00 0.00 O ATOM 752 OE2 GLU A 433 14.550 -4.452 -8.723 1.00 0.00 O ATOM 0 H GLU A 433 12.857 -4.212 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 433 14.055 -2.783 -3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.903 -4.972 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.541 -4.395 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 433 13.921 -2.709 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.278 -3.083 -6.039 1.00 0.00 H new ATOM 759 N ASN A 434 12.372 -0.865 -4.103 1.00 0.00 N ATOM 760 CA ASN A 434 11.835 0.466 -4.430 1.00 0.00 C ATOM 761 C ASN A 434 10.420 0.345 -4.955 1.00 0.00 C ATOM 762 O ASN A 434 9.950 1.152 -5.757 1.00 0.00 O ATOM 763 CB ASN A 434 12.734 1.275 -5.410 1.00 0.00 C ATOM 764 CG ASN A 434 12.795 0.763 -6.848 1.00 0.00 C ATOM 765 OD1 ASN A 434 13.687 -0.004 -7.218 1.00 0.00 O ATOM 766 ND2 ASN A 434 11.866 1.209 -7.678 1.00 0.00 N ATOM 0 H ASN A 434 12.688 -0.947 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 434 11.825 1.038 -3.502 1.00 0.00 H new ATOM 0 HB2 ASN A 434 12.380 2.306 -5.428 1.00 0.00 H new ATOM 0 HB3 ASN A 434 13.748 1.293 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 434 11.874 0.919 -8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 434 11.142 1.843 -7.340 1.00 0.00 H new ATOM 773 N GLY A 435 9.735 -0.660 -4.454 1.00 0.00 N ATOM 774 CA GLY A 435 8.393 -0.939 -4.913 1.00 0.00 C ATOM 775 C GLY A 435 7.533 -1.577 -3.848 1.00 0.00 C ATOM 776 O GLY A 435 7.817 -1.477 -2.662 1.00 0.00 O ATOM 0 H GLY A 435 10.083 -1.293 -3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 435 7.926 -0.011 -5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 435 8.440 -1.598 -5.780 1.00 0.00 H new ATOM 780 N TRP A 436 6.491 -2.254 -4.269 1.00 0.00 N ATOM 781 CA TRP A 436 5.530 -2.818 -3.359 1.00 0.00 C ATOM 782 C TRP A 436 5.185 -4.228 -3.807 1.00 0.00 C ATOM 783 O TRP A 436 4.572 -4.431 -4.855 1.00 0.00 O ATOM 784 CB TRP A 436 4.292 -1.927 -3.320 1.00 0.00 C ATOM 785 CG TRP A 436 4.586 -0.548 -2.804 1.00 0.00 C ATOM 786 CD1 TRP A 436 4.658 0.597 -3.538 1.00 0.00 C ATOM 787 CD2 TRP A 436 4.884 -0.175 -1.451 1.00 0.00 C ATOM 788 NE1 TRP A 436 4.967 1.662 -2.723 1.00 0.00 N ATOM 789 CE2 TRP A 436 5.114 1.212 -1.441 1.00 0.00 C ATOM 790 CE3 TRP A 436 4.973 -0.878 -0.248 1.00 0.00 C ATOM 791 CZ2 TRP A 436 5.431 1.906 -0.276 1.00 0.00 C ATOM 792 CZ3 TRP A 436 5.285 -0.188 0.907 1.00 0.00 C ATOM 793 CH2 TRP A 436 5.512 1.192 0.885 1.00 0.00 C ATOM 0 H TRP A 436 6.288 -2.428 -5.253 1.00 0.00 H new ATOM 0 HA TRP A 436 5.944 -2.871 -2.352 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.871 -1.853 -4.323 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.534 -2.392 -2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.496 0.660 -4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 436 5.070 2.630 -3.027 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.801 -1.944 -0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.607 2.972 -0.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.355 -0.723 1.843 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.756 1.703 1.805 1.00 0.00 H new ATOM 804 N SER A 437 5.582 -5.189 -2.984 1.00 0.00 N ATOM 805 CA SER A 437 5.561 -6.600 -3.351 1.00 0.00 C ATOM 806 C SER A 437 4.144 -7.144 -3.550 1.00 0.00 C ATOM 807 O SER A 437 3.859 -7.740 -4.585 1.00 0.00 O ATOM 808 CB SER A 437 6.316 -7.423 -2.298 1.00 0.00 C ATOM 809 OG SER A 437 6.068 -8.813 -2.434 1.00 0.00 O ATOM 0 H SER A 437 5.929 -5.013 -2.041 1.00 0.00 H new ATOM 0 HA SER A 437 6.062 -6.691 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 437 7.386 -7.235 -2.389 1.00 0.00 H new ATOM 0 HB3 SER A 437 6.019 -7.097 -1.301 1.00 0.00 H new ATOM 0 HG SER A 437 6.567 -9.303 -1.747 1.00 0.00 H new ATOM 815 N PRO A 438 3.219 -6.948 -2.592 1.00 0.00 N ATOM 816 CA PRO A 438 1.907 -7.560 -2.671 1.00 0.00 C ATOM 817 C PRO A 438 0.886 -6.666 -3.373 1.00 0.00 C ATOM 818 O PRO A 438 -0.288 -7.008 -3.496 1.00 0.00 O ATOM 819 CB PRO A 438 1.589 -7.746 -1.203 1.00 0.00 C ATOM 820 CG PRO A 438 2.138 -6.532 -0.551 1.00 0.00 C ATOM 821 CD PRO A 438 3.340 -6.134 -1.364 1.00 0.00 C ATOM 0 HA PRO A 438 1.879 -8.478 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.515 -7.835 -1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 438 2.049 -8.652 -0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.398 -5.732 -0.530 1.00 0.00 H new ATOM 0 HG3 PRO A 438 2.416 -6.736 0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 438 3.336 -5.067 -1.589 1.00 0.00 H new ATOM 0 HD3 PRO A 438 4.269 -6.344 -0.834 1.00 0.00 H new ATOM 829 N THR A 439 1.379 -5.507 -3.801 1.00 0.00 N ATOM 830 CA THR A 439 0.644 -4.570 -4.649 1.00 0.00 C ATOM 831 C THR A 439 -0.457 -3.816 -3.892 1.00 0.00 C ATOM 832 O THR A 439 -1.450 -4.399 -3.461 1.00 0.00 O ATOM 833 CB THR A 439 0.042 -5.289 -5.874 1.00 0.00 C ATOM 834 OG1 THR A 439 1.043 -6.114 -6.487 1.00 0.00 O ATOM 835 CG2 THR A 439 -0.476 -4.288 -6.894 1.00 0.00 C ATOM 0 H THR A 439 2.318 -5.186 -3.564 1.00 0.00 H new ATOM 0 HA THR A 439 1.371 -3.830 -4.985 1.00 0.00 H new ATOM 0 HB THR A 439 -0.792 -5.903 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 439 0.659 -6.572 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 439 -0.895 -4.822 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 439 -1.249 -3.670 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 439 0.344 -3.653 -7.230 1.00 0.00 H new ATOM 843 N PRO A 440 -0.277 -2.494 -3.711 1.00 0.00 N ATOM 844 CA PRO A 440 -1.283 -1.630 -3.099 1.00 0.00 C ATOM 845 C PRO A 440 -2.383 -1.241 -4.086 1.00 0.00 C ATOM 846 O PRO A 440 -2.255 -0.270 -4.835 1.00 0.00 O ATOM 847 CB PRO A 440 -0.501 -0.383 -2.665 1.00 0.00 C ATOM 848 CG PRO A 440 0.913 -0.578 -3.123 1.00 0.00 C ATOM 849 CD PRO A 440 0.922 -1.739 -4.080 1.00 0.00 C ATOM 0 HA PRO A 440 -1.788 -2.132 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.930 0.516 -3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.543 -0.257 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.286 0.323 -3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.567 -0.776 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 440 0.883 -1.405 -5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 440 1.824 -2.341 -3.973 1.00 0.00 H new ATOM 857 N ARG A 441 -3.458 -2.011 -4.086 1.00 0.00 N ATOM 858 CA ARG A 441 -4.597 -1.747 -4.955 1.00 0.00 C ATOM 859 C ARG A 441 -5.897 -1.976 -4.203 1.00 0.00 C ATOM 860 O ARG A 441 -6.197 -3.098 -3.799 1.00 0.00 O ATOM 861 CB ARG A 441 -4.565 -2.636 -6.200 1.00 0.00 C ATOM 862 CG ARG A 441 -3.468 -2.277 -7.186 1.00 0.00 C ATOM 863 CD ARG A 441 -3.552 -3.127 -8.440 1.00 0.00 C ATOM 864 NE ARG A 441 -4.846 -2.997 -9.105 1.00 0.00 N ATOM 865 CZ ARG A 441 -5.230 -3.735 -10.145 1.00 0.00 C ATOM 866 NH1 ARG A 441 -4.397 -4.625 -10.675 1.00 0.00 N ATOM 867 NH2 ARG A 441 -6.442 -3.567 -10.655 1.00 0.00 N ATOM 0 H ARG A 441 -3.568 -2.831 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.537 -0.706 -5.272 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.436 -3.673 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -5.529 -2.572 -6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -3.547 -1.223 -7.453 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -2.494 -2.415 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -2.760 -2.835 -9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -3.381 -4.172 -8.182 1.00 0.00 H new ATOM 0 HE ARG A 441 -5.497 -2.296 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.462 -4.744 -10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -4.693 -5.189 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -7.074 -2.876 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -6.743 -4.129 -11.452 1.00 0.00 H new ATOM 881 N CYS A 442 -6.658 -0.913 -4.004 1.00 0.00 N ATOM 882 CA CYS A 442 -7.940 -1.016 -3.327 1.00 0.00 C ATOM 883 C CYS A 442 -9.021 -1.476 -4.296 1.00 0.00 C ATOM 884 O CYS A 442 -9.754 -0.664 -4.866 1.00 0.00 O ATOM 885 CB CYS A 442 -8.320 0.327 -2.701 1.00 0.00 C ATOM 886 SG CYS A 442 -7.139 0.913 -1.446 1.00 0.00 S ATOM 0 H CYS A 442 -6.411 0.031 -4.301 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.853 -1.757 -2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.399 1.075 -3.490 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -9.306 0.239 -2.245 1.00 0.00 H new ATOM 891 N ILE A 443 -9.101 -2.783 -4.491 1.00 0.00 N ATOM 892 CA ILE A 443 -10.121 -3.363 -5.346 1.00 0.00 C ATOM 893 C ILE A 443 -11.404 -3.516 -4.547 1.00 0.00 C ATOM 894 O ILE A 443 -11.376 -3.560 -3.320 1.00 0.00 O ATOM 895 CB ILE A 443 -9.698 -4.746 -5.885 1.00 0.00 C ATOM 896 CG1 ILE A 443 -8.230 -4.724 -6.315 1.00 0.00 C ATOM 897 CG2 ILE A 443 -10.580 -5.157 -7.058 1.00 0.00 C ATOM 898 CD1 ILE A 443 -7.700 -6.074 -6.753 1.00 0.00 C ATOM 0 H ILE A 443 -8.469 -3.462 -4.067 1.00 0.00 H new ATOM 0 HA ILE A 443 -10.268 -2.699 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 443 -9.820 -5.477 -5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -8.112 -4.015 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -7.624 -4.358 -5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -10.266 -6.135 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -11.619 -5.208 -6.732 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -10.487 -4.423 -7.858 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -6.654 -5.978 -7.043 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -7.785 -6.783 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -8.280 -6.434 -7.603 1.00 0.00 H new ATOM 910 N ARG A 444 -12.519 -3.596 -5.237 1.00 0.00 N ATOM 911 CA ARG A 444 -13.801 -3.731 -4.579 1.00 0.00 C ATOM 912 C ARG A 444 -14.007 -5.165 -4.143 1.00 0.00 C ATOM 913 O ARG A 444 -14.106 -6.075 -4.966 1.00 0.00 O ATOM 914 CB ARG A 444 -14.937 -3.280 -5.500 1.00 0.00 C ATOM 915 CG ARG A 444 -16.316 -3.535 -4.917 1.00 0.00 C ATOM 916 CD ARG A 444 -17.432 -3.204 -5.902 1.00 0.00 C ATOM 917 NE ARG A 444 -17.376 -4.035 -7.108 1.00 0.00 N ATOM 918 CZ ARG A 444 -18.424 -4.309 -7.886 1.00 0.00 C ATOM 919 NH1 ARG A 444 -19.639 -3.883 -7.565 1.00 0.00 N ATOM 920 NH2 ARG A 444 -18.249 -5.032 -8.982 1.00 0.00 N ATOM 0 H ARG A 444 -12.565 -3.570 -6.256 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.809 -3.089 -3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.828 -2.215 -5.706 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.851 -3.800 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.395 -4.581 -4.621 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.442 -2.937 -4.014 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -18.397 -3.341 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -17.364 -2.153 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 444 -16.473 -4.431 -7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -19.780 -3.339 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -20.432 -4.100 -8.169 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -17.319 -5.374 -9.224 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -19.044 -5.247 -9.584 1.00 0.00 H new ATOM 934 N VAL A 445 -14.060 -5.352 -2.841 1.00 0.00 N ATOM 935 CA VAL A 445 -14.201 -6.668 -2.266 1.00 0.00 C ATOM 936 C VAL A 445 -15.676 -7.040 -2.160 1.00 0.00 C ATOM 937 O VAL A 445 -16.044 -8.207 -2.312 1.00 0.00 O ATOM 938 CB VAL A 445 -13.506 -6.728 -0.885 1.00 0.00 C ATOM 939 CG1 VAL A 445 -14.270 -5.937 0.170 1.00 0.00 C ATOM 940 CG2 VAL A 445 -13.293 -8.166 -0.442 1.00 0.00 C ATOM 0 H VAL A 445 -14.007 -4.598 -2.156 1.00 0.00 H new ATOM 0 HA VAL A 445 -13.715 -7.395 -2.917 1.00 0.00 H new ATOM 0 HB VAL A 445 -12.528 -6.259 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -13.748 -6.005 1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -14.335 -4.892 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -15.274 -6.347 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.803 -8.178 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -14.256 -8.671 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.667 -8.682 -1.170 1.00 0.00 H new ATOM 950 N LYS A 446 -16.508 -6.022 -1.923 1.00 0.00 N ATOM 951 CA LYS A 446 -17.957 -6.175 -1.833 1.00 0.00 C ATOM 952 C LYS A 446 -18.570 -4.859 -1.370 1.00 0.00 C ATOM 953 O LYS A 446 -19.085 -4.109 -2.220 1.00 0.00 O ATOM 954 CB LYS A 446 -18.338 -7.302 -0.866 1.00 0.00 C ATOM 955 CG LYS A 446 -19.816 -7.644 -0.887 1.00 0.00 C ATOM 956 CD LYS A 446 -20.105 -8.917 -0.111 1.00 0.00 C ATOM 957 CE LYS A 446 -21.586 -9.255 -0.137 1.00 0.00 C ATOM 958 NZ LYS A 446 -22.092 -9.476 -1.519 1.00 0.00 N ATOM 959 OXT LYS A 446 -18.490 -4.562 -0.159 1.00 0.00 O ATOM 0 H LYS A 446 -16.189 -5.063 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.343 -6.438 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -17.763 -8.194 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -18.054 -7.013 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -20.387 -6.819 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -20.148 -7.762 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -19.534 -9.742 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -19.775 -8.799 0.921 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -21.762 -10.150 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -22.149 -8.446 0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -23.035 -9.913 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -22.155 -8.564 -2.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -21.441 -10.105 -2.031 1.00 0.00 H new TER 973 LYS A 446