USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 480 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 Set 2.1: A 398 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 417 HIS : no HE2:sc= 0.831 K(o=0.83,f=-5.4!) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 393 TYR OH : rot 180:sc= 0 USER MOD Single : A 396 ASN : amide:sc= -0.0876 K(o=-0.088,f=-2.4!) USER MOD Single : A 399 ASN : amide:sc= 0.878 K(o=0.88,f=-7.5!) USER MOD Single : A 400 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 401 ASN : amide:sc= -0.809 K(o=-0.81,f=-2.4) USER MOD Single : A 402 HIS : no HE2:sc= -2.09! C(o=-2.1!,f=-3.5!) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 GLN : amide:sc= -5.41! C(o=-5.4!,f=-3!) USER MOD Single : A 410 LYS NZ :NH3+ -163:sc= -6.31! (180deg=-8.03!) USER MOD Single : A 411 SER OG : rot 150:sc= -1.53! USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ -107:sc= -0.997 (180deg=-3.33!) USER MOD Single : A 426 GLN : amide:sc= -0.0629 K(o=-0.063,f=-0.75) USER MOD Single : A 430 THR OG1 : rot 180:sc= 0 USER MOD Single : A 432 MET CE :methyl -142:sc= -0.0325 (180deg=-1.53!) USER MOD Single : A 434 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.7!) USER MOD Single : A 437 SER OG : rot 87:sc= 0.143 USER MOD Single : A 439 THR OG1 : rot -10:sc= 0.783 USER MOD Single : A 446 LYS NZ :NH3+ 165:sc= -0.0648 (180deg=-0.296) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 386 18.544 -1.008 -1.709 1.00 0.00 N ATOM 2 CA LEU A 386 18.419 0.227 -2.463 1.00 0.00 C ATOM 3 C LEU A 386 17.062 0.359 -3.146 1.00 0.00 C ATOM 4 O LEU A 386 16.621 1.470 -3.448 1.00 0.00 O ATOM 5 CB LEU A 386 19.530 0.294 -3.505 1.00 0.00 C ATOM 6 CG LEU A 386 20.947 0.425 -2.942 1.00 0.00 C ATOM 7 CD1 LEU A 386 21.967 0.423 -4.067 1.00 0.00 C ATOM 8 CD2 LEU A 386 21.076 1.693 -2.113 1.00 0.00 C ATOM 0 HA LEU A 386 18.505 1.055 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 386 19.483 -0.604 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 386 19.338 1.142 -4.163 1.00 0.00 H new ATOM 0 HG LEU A 386 21.141 -0.431 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 386 22.969 0.517 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 386 21.892 -0.511 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 386 21.773 1.261 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 386 22.090 1.770 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 386 20.862 2.560 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 386 20.368 1.660 -1.285 1.00 0.00 H new ATOM 20 N ARG A 387 16.407 -0.764 -3.401 1.00 0.00 N ATOM 21 CA ARG A 387 15.101 -0.749 -4.050 1.00 0.00 C ATOM 22 C ARG A 387 14.014 -0.293 -3.081 1.00 0.00 C ATOM 23 O ARG A 387 13.267 -1.101 -2.532 1.00 0.00 O ATOM 24 CB ARG A 387 14.775 -2.129 -4.621 1.00 0.00 C ATOM 25 CG ARG A 387 15.624 -2.488 -5.825 1.00 0.00 C ATOM 26 CD ARG A 387 15.055 -1.901 -7.105 1.00 0.00 C ATOM 27 NE ARG A 387 14.136 -2.831 -7.761 1.00 0.00 N ATOM 28 CZ ARG A 387 13.241 -2.483 -8.684 1.00 0.00 C ATOM 29 NH1 ARG A 387 13.027 -1.207 -8.972 1.00 0.00 N ATOM 30 NH2 ARG A 387 12.532 -3.417 -9.301 1.00 0.00 N ATOM 0 H ARG A 387 16.755 -1.695 -3.170 1.00 0.00 H new ATOM 0 HA ARG A 387 15.136 -0.034 -4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 387 14.919 -2.881 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 387 13.723 -2.160 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 387 16.640 -2.122 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 387 15.686 -3.572 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 387 14.533 -0.971 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 387 15.869 -1.652 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 387 14.184 -3.814 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 387 13.550 -0.480 -8.485 1.00 0.00 H new ATOM 0 HH12 ARG A 387 12.339 -0.953 -9.681 1.00 0.00 H new ATOM 0 HH21 ARG A 387 12.672 -4.400 -9.069 1.00 0.00 H new ATOM 0 HH22 ARG A 387 11.846 -3.153 -10.008 1.00 0.00 H new ATOM 44 N LYS A 388 13.958 1.014 -2.866 1.00 0.00 N ATOM 45 CA LYS A 388 12.960 1.619 -2.002 1.00 0.00 C ATOM 46 C LYS A 388 11.601 1.648 -2.689 1.00 0.00 C ATOM 47 O LYS A 388 11.488 1.360 -3.880 1.00 0.00 O ATOM 48 CB LYS A 388 13.389 3.033 -1.621 1.00 0.00 C ATOM 49 CG LYS A 388 14.694 3.075 -0.849 1.00 0.00 C ATOM 50 CD LYS A 388 15.020 4.485 -0.395 1.00 0.00 C ATOM 51 CE LYS A 388 16.259 4.511 0.483 1.00 0.00 C ATOM 52 NZ LYS A 388 16.607 5.886 0.922 1.00 0.00 N ATOM 0 H LYS A 388 14.604 1.682 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 388 12.873 1.018 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 388 13.491 3.631 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 388 12.605 3.494 -1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 388 14.628 2.418 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 388 15.502 2.696 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 388 15.175 5.122 -1.265 1.00 0.00 H new ATOM 0 HD3 LYS A 388 14.174 4.897 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 388 16.095 3.883 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 388 17.099 4.083 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 17.458 5.855 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 16.790 6.481 0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 15.817 6.287 1.467 1.00 0.00 H new ATOM 66 N CYS A 389 10.570 2.012 -1.942 1.00 0.00 N ATOM 67 CA CYS A 389 9.218 2.004 -2.475 1.00 0.00 C ATOM 68 C CYS A 389 8.494 3.306 -2.161 1.00 0.00 C ATOM 69 O CYS A 389 8.375 3.699 -0.993 1.00 0.00 O ATOM 70 CB CYS A 389 8.420 0.824 -1.911 1.00 0.00 C ATOM 71 SG CYS A 389 9.122 -0.817 -2.275 1.00 0.00 S ATOM 0 H CYS A 389 10.643 2.315 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 389 9.294 1.900 -3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 389 8.343 0.939 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 389 7.406 0.866 -2.309 1.00 0.00 H new ATOM 76 N TYR A 390 8.028 3.957 -3.213 1.00 0.00 N ATOM 77 CA TYR A 390 7.224 5.165 -3.108 1.00 0.00 C ATOM 78 C TYR A 390 5.760 4.787 -2.908 1.00 0.00 C ATOM 79 O TYR A 390 5.254 3.880 -3.571 1.00 0.00 O ATOM 80 CB TYR A 390 7.408 6.008 -4.383 1.00 0.00 C ATOM 81 CG TYR A 390 6.344 7.064 -4.613 1.00 0.00 C ATOM 82 CD1 TYR A 390 6.402 8.300 -3.979 1.00 0.00 C ATOM 83 CD2 TYR A 390 5.280 6.820 -5.475 1.00 0.00 C ATOM 84 CE1 TYR A 390 5.431 9.259 -4.197 1.00 0.00 C ATOM 85 CE2 TYR A 390 4.306 7.773 -5.698 1.00 0.00 C ATOM 86 CZ TYR A 390 4.386 8.991 -5.057 1.00 0.00 C ATOM 87 OH TYR A 390 3.412 9.941 -5.276 1.00 0.00 O ATOM 0 H TYR A 390 8.198 3.660 -4.174 1.00 0.00 H new ATOM 0 HA TYR A 390 7.545 5.756 -2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 390 8.381 6.498 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 390 7.426 5.339 -5.243 1.00 0.00 H new ATOM 0 HD1 TYR A 390 7.219 8.514 -3.306 1.00 0.00 H new ATOM 0 HD2 TYR A 390 5.214 5.867 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 390 5.490 10.214 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 390 3.487 7.566 -6.370 1.00 0.00 H new ATOM 0 HH TYR A 390 2.751 9.591 -5.909 1.00 0.00 H new ATOM 97 N PHE A 391 5.092 5.457 -1.980 1.00 0.00 N ATOM 98 CA PHE A 391 3.691 5.176 -1.707 1.00 0.00 C ATOM 99 C PHE A 391 2.811 5.863 -2.751 1.00 0.00 C ATOM 100 O PHE A 391 2.791 7.094 -2.847 1.00 0.00 O ATOM 101 CB PHE A 391 3.317 5.653 -0.299 1.00 0.00 C ATOM 102 CG PHE A 391 1.999 5.120 0.189 1.00 0.00 C ATOM 103 CD1 PHE A 391 1.935 3.901 0.842 1.00 0.00 C ATOM 104 CD2 PHE A 391 0.826 5.836 0.002 1.00 0.00 C ATOM 105 CE1 PHE A 391 0.730 3.406 1.298 1.00 0.00 C ATOM 106 CE2 PHE A 391 -0.384 5.346 0.454 1.00 0.00 C ATOM 107 CZ PHE A 391 -0.431 4.129 1.103 1.00 0.00 C ATOM 0 H PHE A 391 5.496 6.196 -1.405 1.00 0.00 H new ATOM 0 HA PHE A 391 3.529 4.099 -1.761 1.00 0.00 H new ATOM 0 HB2 PHE A 391 4.100 5.353 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 391 3.284 6.742 -0.291 1.00 0.00 H new ATOM 0 HD1 PHE A 391 2.839 3.330 0.996 1.00 0.00 H new ATOM 0 HD2 PHE A 391 0.859 6.790 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 391 0.695 2.454 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 391 -1.290 5.913 0.300 1.00 0.00 H new ATOM 0 HZ PHE A 391 -1.375 3.742 1.458 1.00 0.00 H new ATOM 117 N PRO A 392 2.077 5.069 -3.547 1.00 0.00 N ATOM 118 CA PRO A 392 1.254 5.577 -4.647 1.00 0.00 C ATOM 119 C PRO A 392 -0.066 6.163 -4.172 1.00 0.00 C ATOM 120 O PRO A 392 -0.294 6.342 -2.975 1.00 0.00 O ATOM 121 CB PRO A 392 1.014 4.330 -5.497 1.00 0.00 C ATOM 122 CG PRO A 392 1.035 3.197 -4.528 1.00 0.00 C ATOM 123 CD PRO A 392 1.976 3.602 -3.419 1.00 0.00 C ATOM 0 HA PRO A 392 1.741 6.394 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO A 392 0.059 4.386 -6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 392 1.787 4.215 -6.257 1.00 0.00 H new ATOM 0 HG2 PRO A 392 0.036 3.001 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 392 1.374 2.280 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 392 1.588 3.313 -2.442 1.00 0.00 H new ATOM 0 HD3 PRO A 392 2.950 3.125 -3.529 1.00 0.00 H new ATOM 131 N TYR A 393 -0.928 6.474 -5.120 1.00 0.00 N ATOM 132 CA TYR A 393 -2.200 7.088 -4.817 1.00 0.00 C ATOM 133 C TYR A 393 -3.342 6.146 -5.162 1.00 0.00 C ATOM 134 O TYR A 393 -3.570 5.834 -6.331 1.00 0.00 O ATOM 135 CB TYR A 393 -2.336 8.397 -5.589 1.00 0.00 C ATOM 136 CG TYR A 393 -3.635 9.129 -5.330 1.00 0.00 C ATOM 137 CD1 TYR A 393 -3.802 9.885 -4.178 1.00 0.00 C ATOM 138 CD2 TYR A 393 -4.692 9.062 -6.231 1.00 0.00 C ATOM 139 CE1 TYR A 393 -4.983 10.555 -3.930 1.00 0.00 C ATOM 140 CE2 TYR A 393 -5.877 9.733 -5.989 1.00 0.00 C ATOM 141 CZ TYR A 393 -6.016 10.478 -4.836 1.00 0.00 C ATOM 142 OH TYR A 393 -7.193 11.153 -4.588 1.00 0.00 O ATOM 0 H TYR A 393 -0.766 6.309 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 393 -2.245 7.300 -3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 393 -1.504 9.050 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 393 -2.254 8.189 -6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 393 -2.994 9.950 -3.464 1.00 0.00 H new ATOM 0 HD2 TYR A 393 -4.586 8.477 -7.133 1.00 0.00 H new ATOM 0 HE1 TYR A 393 -5.096 11.138 -3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 393 -6.689 9.674 -6.699 1.00 0.00 H new ATOM 0 HH TYR A 393 -7.821 10.997 -5.324 1.00 0.00 H new ATOM 152 N LEU A 394 -4.035 5.687 -4.138 1.00 0.00 N ATOM 153 CA LEU A 394 -5.189 4.830 -4.319 1.00 0.00 C ATOM 154 C LEU A 394 -6.416 5.678 -4.621 1.00 0.00 C ATOM 155 O LEU A 394 -6.744 6.611 -3.883 1.00 0.00 O ATOM 156 CB LEU A 394 -5.430 3.956 -3.080 1.00 0.00 C ATOM 157 CG LEU A 394 -4.384 2.864 -2.816 1.00 0.00 C ATOM 158 CD1 LEU A 394 -3.068 3.459 -2.333 1.00 0.00 C ATOM 159 CD2 LEU A 394 -4.913 1.859 -1.808 1.00 0.00 C ATOM 0 H LEU A 394 -3.816 5.896 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 394 -4.998 4.165 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 394 -5.478 4.605 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 394 -6.406 3.481 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 394 -4.191 2.351 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 394 -2.350 2.658 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 394 -2.675 4.137 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 394 -3.235 4.008 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 394 -4.160 1.091 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 394 -5.139 2.368 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 394 -5.820 1.396 -2.197 1.00 0.00 H new ATOM 171 N GLU A 395 -7.077 5.335 -5.718 1.00 0.00 N ATOM 172 CA GLU A 395 -8.193 6.108 -6.253 1.00 0.00 C ATOM 173 C GLU A 395 -9.345 6.224 -5.257 1.00 0.00 C ATOM 174 O GLU A 395 -10.074 7.216 -5.253 1.00 0.00 O ATOM 175 CB GLU A 395 -8.690 5.454 -7.546 1.00 0.00 C ATOM 176 CG GLU A 395 -9.768 6.245 -8.268 1.00 0.00 C ATOM 177 CD GLU A 395 -9.257 7.557 -8.822 1.00 0.00 C ATOM 178 OE1 GLU A 395 -9.137 8.529 -8.050 1.00 0.00 O ATOM 179 OE2 GLU A 395 -8.981 7.623 -10.037 1.00 0.00 O ATOM 0 H GLU A 395 -6.853 4.505 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 395 -7.833 7.117 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 395 -7.844 5.316 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 395 -9.077 4.462 -7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 395 -10.170 5.643 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 395 -10.591 6.441 -7.581 1.00 0.00 H new ATOM 186 N ASN A 396 -9.513 5.216 -4.418 1.00 0.00 N ATOM 187 CA ASN A 396 -10.632 5.186 -3.489 1.00 0.00 C ATOM 188 C ASN A 396 -10.201 4.734 -2.098 1.00 0.00 C ATOM 189 O ASN A 396 -11.012 4.222 -1.327 1.00 0.00 O ATOM 190 CB ASN A 396 -11.743 4.272 -4.026 1.00 0.00 C ATOM 191 CG ASN A 396 -11.224 2.931 -4.517 1.00 0.00 C ATOM 192 OD1 ASN A 396 -10.225 2.415 -4.024 1.00 0.00 O ATOM 193 ND2 ASN A 396 -11.891 2.368 -5.512 1.00 0.00 N ATOM 0 H ASN A 396 -8.891 4.409 -4.360 1.00 0.00 H new ATOM 0 HA ASN A 396 -11.015 6.203 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 396 -12.479 4.104 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 396 -12.258 4.777 -4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 396 -11.579 1.475 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 396 -12.717 2.827 -5.896 1.00 0.00 H new ATOM 200 N GLY A 397 -8.939 4.952 -1.758 1.00 0.00 N ATOM 201 CA GLY A 397 -8.451 4.524 -0.459 1.00 0.00 C ATOM 202 C GLY A 397 -7.875 5.669 0.352 1.00 0.00 C ATOM 203 O GLY A 397 -7.698 6.771 -0.167 1.00 0.00 O ATOM 0 H GLY A 397 -8.248 5.413 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -9.267 4.063 0.098 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -7.686 3.759 -0.596 1.00 0.00 H new ATOM 207 N TYR A 398 -7.587 5.410 1.624 1.00 0.00 N ATOM 208 CA TYR A 398 -7.008 6.418 2.504 1.00 0.00 C ATOM 209 C TYR A 398 -5.488 6.389 2.411 1.00 0.00 C ATOM 210 O TYR A 398 -4.832 5.572 3.058 1.00 0.00 O ATOM 211 CB TYR A 398 -7.425 6.182 3.960 1.00 0.00 C ATOM 212 CG TYR A 398 -8.908 6.312 4.218 1.00 0.00 C ATOM 213 CD1 TYR A 398 -9.503 7.563 4.332 1.00 0.00 C ATOM 214 CD2 TYR A 398 -9.713 5.187 4.364 1.00 0.00 C ATOM 215 CE1 TYR A 398 -10.854 7.688 4.581 1.00 0.00 C ATOM 216 CE2 TYR A 398 -11.066 5.307 4.616 1.00 0.00 C ATOM 217 CZ TYR A 398 -11.630 6.559 4.724 1.00 0.00 C ATOM 218 OH TYR A 398 -12.976 6.685 4.979 1.00 0.00 O ATOM 0 H TYR A 398 -7.746 4.506 2.069 1.00 0.00 H new ATOM 0 HA TYR A 398 -7.378 7.392 2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.103 5.184 4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.895 6.892 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -8.898 8.451 4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -9.273 4.204 4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -11.302 8.667 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -11.678 4.424 4.728 1.00 0.00 H new ATOM 0 HH TYR A 398 -13.380 5.795 5.051 1.00 0.00 H new ATOM 228 N ASN A 399 -4.931 7.272 1.598 1.00 0.00 N ATOM 229 CA ASN A 399 -3.484 7.355 1.439 1.00 0.00 C ATOM 230 C ASN A 399 -2.869 8.095 2.614 1.00 0.00 C ATOM 231 O ASN A 399 -2.625 9.299 2.543 1.00 0.00 O ATOM 232 CB ASN A 399 -3.108 8.072 0.144 1.00 0.00 C ATOM 233 CG ASN A 399 -3.856 7.549 -1.061 1.00 0.00 C ATOM 234 OD1 ASN A 399 -3.416 6.606 -1.705 1.00 0.00 O ATOM 235 ND2 ASN A 399 -4.980 8.168 -1.386 1.00 0.00 N ATOM 0 H ASN A 399 -5.457 7.942 1.037 1.00 0.00 H new ATOM 0 HA ASN A 399 -3.098 6.337 1.400 1.00 0.00 H new ATOM 0 HB2 ASN A 399 -3.308 9.138 0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 399 -2.037 7.965 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 399 -5.514 7.862 -2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 399 -5.313 8.950 -0.823 1.00 0.00 H new ATOM 242 N GLN A 400 -2.619 7.365 3.691 1.00 0.00 N ATOM 243 CA GLN A 400 -2.071 7.948 4.907 1.00 0.00 C ATOM 244 C GLN A 400 -0.657 8.482 4.685 1.00 0.00 C ATOM 245 O GLN A 400 -0.201 9.370 5.401 1.00 0.00 O ATOM 246 CB GLN A 400 -2.052 6.908 6.026 1.00 0.00 C ATOM 247 CG GLN A 400 -3.400 6.258 6.293 1.00 0.00 C ATOM 248 CD GLN A 400 -3.368 5.327 7.489 1.00 0.00 C ATOM 249 OE1 GLN A 400 -3.640 5.740 8.618 1.00 0.00 O ATOM 250 NE2 GLN A 400 -3.025 4.069 7.257 1.00 0.00 N ATOM 0 H GLN A 400 -2.788 6.361 3.747 1.00 0.00 H new ATOM 0 HA GLN A 400 -2.712 8.783 5.190 1.00 0.00 H new ATOM 0 HB2 GLN A 400 -1.330 6.131 5.773 1.00 0.00 H new ATOM 0 HB3 GLN A 400 -1.702 7.383 6.943 1.00 0.00 H new ATOM 0 HG2 GLN A 400 -4.147 7.034 6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 400 -3.712 5.700 5.410 1.00 0.00 H new ATOM 0 HE21 GLN A 400 -2.807 3.767 6.308 1.00 0.00 H new ATOM 0 HE22 GLN A 400 -2.979 3.403 8.028 1.00 0.00 H new ATOM 259 N ASN A 401 0.030 7.944 3.686 1.00 0.00 N ATOM 260 CA ASN A 401 1.422 8.302 3.442 1.00 0.00 C ATOM 261 C ASN A 401 1.664 8.619 1.971 1.00 0.00 C ATOM 262 O ASN A 401 2.715 8.281 1.431 1.00 0.00 O ATOM 263 CB ASN A 401 2.344 7.157 3.877 1.00 0.00 C ATOM 264 CG ASN A 401 2.438 7.010 5.384 1.00 0.00 C ATOM 265 OD1 ASN A 401 2.350 7.985 6.124 1.00 0.00 O ATOM 266 ND2 ASN A 401 2.630 5.785 5.847 1.00 0.00 N ATOM 0 H ASN A 401 -0.352 7.260 3.033 1.00 0.00 H new ATOM 0 HA ASN A 401 1.643 9.195 4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 401 1.981 6.223 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 401 3.341 7.327 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 401 2.710 5.626 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 401 2.698 5.000 5.199 1.00 0.00 H new ATOM 273 N HIS A 402 0.699 9.258 1.311 1.00 0.00 N ATOM 274 CA HIS A 402 0.862 9.585 -0.105 1.00 0.00 C ATOM 275 C HIS A 402 2.017 10.559 -0.305 1.00 0.00 C ATOM 276 O HIS A 402 2.063 11.615 0.321 1.00 0.00 O ATOM 277 CB HIS A 402 -0.410 10.188 -0.702 1.00 0.00 C ATOM 278 CG HIS A 402 -0.305 10.409 -2.184 1.00 0.00 C ATOM 279 ND1 HIS A 402 -0.709 11.567 -2.810 1.00 0.00 N ATOM 280 CD2 HIS A 402 0.178 9.606 -3.162 1.00 0.00 C ATOM 281 CE1 HIS A 402 -0.479 11.468 -4.107 1.00 0.00 C ATOM 282 NE2 HIS A 402 0.058 10.287 -4.344 1.00 0.00 N ATOM 0 H HIS A 402 -0.186 9.554 1.723 1.00 0.00 H new ATOM 0 HA HIS A 402 1.076 8.649 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 402 -1.252 9.527 -0.496 1.00 0.00 H new ATOM 0 HB3 HIS A 402 -0.622 11.138 -0.211 1.00 0.00 H new ATOM 0 HD1 HIS A 402 -1.122 12.375 -2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 402 0.583 8.613 -3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 402 -0.694 12.225 -4.847 1.00 0.00 H new ATOM 291 N GLY A 403 2.942 10.189 -1.181 1.00 0.00 N ATOM 292 CA GLY A 403 4.068 11.050 -1.479 1.00 0.00 C ATOM 293 C GLY A 403 5.289 10.676 -0.672 1.00 0.00 C ATOM 294 O GLY A 403 6.405 11.101 -0.972 1.00 0.00 O ATOM 0 H GLY A 403 2.932 9.306 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 403 4.302 10.988 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 403 3.799 12.086 -1.272 1.00 0.00 H new ATOM 298 N ARG A 404 5.072 9.860 0.347 1.00 0.00 N ATOM 299 CA ARG A 404 6.136 9.458 1.245 1.00 0.00 C ATOM 300 C ARG A 404 6.900 8.267 0.688 1.00 0.00 C ATOM 301 O ARG A 404 6.312 7.324 0.146 1.00 0.00 O ATOM 302 CB ARG A 404 5.567 9.136 2.625 1.00 0.00 C ATOM 303 CG ARG A 404 5.017 10.361 3.337 1.00 0.00 C ATOM 304 CD ARG A 404 4.365 10.005 4.662 1.00 0.00 C ATOM 305 NE ARG A 404 3.863 11.188 5.365 1.00 0.00 N ATOM 306 CZ ARG A 404 3.674 11.246 6.687 1.00 0.00 C ATOM 307 NH1 ARG A 404 3.884 10.177 7.443 1.00 0.00 N ATOM 308 NH2 ARG A 404 3.256 12.368 7.253 1.00 0.00 N ATOM 0 H ARG A 404 4.160 9.462 0.572 1.00 0.00 H new ATOM 0 HA ARG A 404 6.836 10.288 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 404 4.774 8.395 2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 404 6.347 8.685 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 404 5.824 11.073 3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 404 4.288 10.856 2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 404 3.542 9.312 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 404 5.087 9.488 5.294 1.00 0.00 H new ATOM 0 HE ARG A 404 3.645 12.017 4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 404 4.192 9.303 7.016 1.00 0.00 H new ATOM 0 HH12 ARG A 404 3.738 10.229 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 404 3.077 13.192 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 404 3.113 12.408 8.262 1.00 0.00 H new ATOM 322 N LYS A 405 8.212 8.331 0.811 1.00 0.00 N ATOM 323 CA LYS A 405 9.084 7.295 0.301 1.00 0.00 C ATOM 324 C LYS A 405 9.741 6.541 1.446 1.00 0.00 C ATOM 325 O LYS A 405 10.371 7.136 2.322 1.00 0.00 O ATOM 326 CB LYS A 405 10.144 7.915 -0.608 1.00 0.00 C ATOM 327 CG LYS A 405 9.564 8.567 -1.852 1.00 0.00 C ATOM 328 CD LYS A 405 10.633 9.279 -2.658 1.00 0.00 C ATOM 329 CE LYS A 405 10.054 9.883 -3.927 1.00 0.00 C ATOM 330 NZ LYS A 405 11.072 10.646 -4.692 1.00 0.00 N ATOM 0 H LYS A 405 8.701 9.102 1.267 1.00 0.00 H new ATOM 0 HA LYS A 405 8.491 6.586 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 405 10.705 8.660 -0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 405 10.852 7.142 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 405 9.085 7.809 -2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 405 8.790 9.279 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 405 11.086 10.064 -2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 405 11.426 8.577 -2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 405 9.648 9.089 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 405 9.224 10.542 -3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 10.637 11.042 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 11.441 11.419 -4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 11.852 10.012 -4.960 1.00 0.00 H new ATOM 344 N PHE A 406 9.582 5.229 1.437 1.00 0.00 N ATOM 345 CA PHE A 406 10.129 4.382 2.486 1.00 0.00 C ATOM 346 C PHE A 406 11.207 3.461 1.931 1.00 0.00 C ATOM 347 O PHE A 406 11.151 3.050 0.768 1.00 0.00 O ATOM 348 CB PHE A 406 9.035 3.527 3.117 1.00 0.00 C ATOM 349 CG PHE A 406 7.920 4.258 3.806 1.00 0.00 C ATOM 350 CD1 PHE A 406 8.039 4.653 5.127 1.00 0.00 C ATOM 351 CD2 PHE A 406 6.730 4.502 3.139 1.00 0.00 C ATOM 352 CE1 PHE A 406 6.988 5.280 5.772 1.00 0.00 C ATOM 353 CE2 PHE A 406 5.682 5.134 3.773 1.00 0.00 C ATOM 354 CZ PHE A 406 5.809 5.521 5.093 1.00 0.00 C ATOM 0 H PHE A 406 9.075 4.723 0.710 1.00 0.00 H new ATOM 0 HA PHE A 406 10.562 5.038 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 406 8.601 2.901 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 406 9.501 2.858 3.840 1.00 0.00 H new ATOM 0 HD1 PHE A 406 8.961 4.470 5.659 1.00 0.00 H new ATOM 0 HD2 PHE A 406 6.622 4.193 2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 406 7.089 5.581 6.804 1.00 0.00 H new ATOM 0 HE2 PHE A 406 4.763 5.326 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 406 4.987 6.012 5.594 1.00 0.00 H new ATOM 364 N VAL A 407 12.157 3.133 2.790 1.00 0.00 N ATOM 365 CA VAL A 407 13.218 2.161 2.511 1.00 0.00 C ATOM 366 C VAL A 407 12.638 0.806 2.074 1.00 0.00 C ATOM 367 O VAL A 407 11.445 0.577 2.175 1.00 0.00 O ATOM 368 CB VAL A 407 14.030 1.954 3.803 1.00 0.00 C ATOM 369 CG1 VAL A 407 13.174 1.219 4.830 1.00 0.00 C ATOM 370 CG2 VAL A 407 15.342 1.220 3.538 1.00 0.00 C ATOM 0 H VAL A 407 12.220 3.540 3.723 1.00 0.00 H new ATOM 0 HA VAL A 407 13.841 2.544 1.702 1.00 0.00 H new ATOM 0 HB VAL A 407 14.300 2.931 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 407 13.749 1.072 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 407 12.284 1.809 5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 407 12.877 0.250 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 407 15.884 1.094 4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 407 15.131 0.241 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 407 15.949 1.799 2.842 1.00 0.00 H new ATOM 380 N GLN A 408 13.476 -0.089 1.586 1.00 0.00 N ATOM 381 CA GLN A 408 13.048 -1.459 1.357 1.00 0.00 C ATOM 382 C GLN A 408 13.094 -2.214 2.678 1.00 0.00 C ATOM 383 O GLN A 408 14.065 -2.100 3.421 1.00 0.00 O ATOM 384 CB GLN A 408 13.954 -2.135 0.329 1.00 0.00 C ATOM 385 CG GLN A 408 13.544 -3.558 -0.007 1.00 0.00 C ATOM 386 CD GLN A 408 14.515 -4.228 -0.950 1.00 0.00 C ATOM 387 OE1 GLN A 408 15.481 -4.851 -0.520 1.00 0.00 O ATOM 388 NE2 GLN A 408 14.262 -4.112 -2.238 1.00 0.00 N ATOM 0 H GLN A 408 14.448 0.103 1.342 1.00 0.00 H new ATOM 0 HA GLN A 408 12.031 -1.464 0.966 1.00 0.00 H new ATOM 0 HB2 GLN A 408 13.956 -1.542 -0.585 1.00 0.00 H new ATOM 0 HB3 GLN A 408 14.976 -2.141 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 408 13.474 -4.140 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 408 12.551 -3.551 -0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 408 13.447 -3.585 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 408 14.881 -4.550 -2.921 1.00 0.00 H new ATOM 397 N GLY A 409 12.040 -2.959 2.981 1.00 0.00 N ATOM 398 CA GLY A 409 12.002 -3.696 4.230 1.00 0.00 C ATOM 399 C GLY A 409 10.860 -3.277 5.140 1.00 0.00 C ATOM 400 O GLY A 409 10.399 -4.072 5.957 1.00 0.00 O ATOM 0 H GLY A 409 11.216 -3.067 2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 409 11.913 -4.761 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 409 12.947 -3.556 4.756 1.00 0.00 H new ATOM 404 N LYS A 410 10.406 -2.029 5.018 1.00 0.00 N ATOM 405 CA LYS A 410 9.311 -1.538 5.830 1.00 0.00 C ATOM 406 C LYS A 410 7.983 -2.164 5.463 1.00 0.00 C ATOM 407 O LYS A 410 7.841 -2.846 4.442 1.00 0.00 O ATOM 408 CB LYS A 410 9.182 -0.024 5.685 1.00 0.00 C ATOM 409 CG LYS A 410 9.543 0.517 4.316 1.00 0.00 C ATOM 410 CD LYS A 410 8.727 -0.157 3.229 1.00 0.00 C ATOM 411 CE LYS A 410 8.208 0.832 2.217 1.00 0.00 C ATOM 412 NZ LYS A 410 9.181 1.148 1.140 1.00 0.00 N ATOM 0 H LYS A 410 10.785 -1.346 4.362 1.00 0.00 H new ATOM 0 HA LYS A 410 9.547 -1.812 6.858 1.00 0.00 H new ATOM 0 HB2 LYS A 410 8.156 0.263 5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 410 9.820 0.454 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 410 9.371 1.593 4.290 1.00 0.00 H new ATOM 0 HG3 LYS A 410 10.605 0.360 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 410 9.341 -0.903 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 410 7.889 -0.687 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 410 7.298 0.435 1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 410 7.935 1.754 2.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 410 8.892 2.022 0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 410 10.126 1.278 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 410 9.207 0.366 0.455 1.00 0.00 H new ATOM 426 N SER A 411 7.013 -1.877 6.298 1.00 0.00 N ATOM 427 CA SER A 411 5.654 -2.248 6.053 1.00 0.00 C ATOM 428 C SER A 411 4.746 -1.119 6.488 1.00 0.00 C ATOM 429 O SER A 411 5.105 -0.294 7.330 1.00 0.00 O ATOM 430 CB SER A 411 5.309 -3.518 6.808 1.00 0.00 C ATOM 431 OG SER A 411 3.940 -3.862 6.669 1.00 0.00 O ATOM 0 H SER A 411 7.154 -1.374 7.174 1.00 0.00 H new ATOM 0 HA SER A 411 5.517 -2.436 4.988 1.00 0.00 H new ATOM 0 HB2 SER A 411 5.928 -4.337 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 411 5.545 -3.388 7.864 1.00 0.00 H new ATOM 0 HG SER A 411 3.840 -4.836 6.721 1.00 0.00 H new ATOM 437 N ILE A 412 3.584 -1.100 5.904 1.00 0.00 N ATOM 438 CA ILE A 412 2.571 -0.098 6.207 1.00 0.00 C ATOM 439 C ILE A 412 1.179 -0.621 5.859 1.00 0.00 C ATOM 440 O ILE A 412 0.982 -1.262 4.825 1.00 0.00 O ATOM 441 CB ILE A 412 2.834 1.240 5.462 1.00 0.00 C ATOM 442 CG1 ILE A 412 1.756 2.273 5.802 1.00 0.00 C ATOM 443 CG2 ILE A 412 2.901 1.023 3.958 1.00 0.00 C ATOM 444 CD1 ILE A 412 1.726 2.668 7.263 1.00 0.00 C ATOM 0 H ILE A 412 3.298 -1.778 5.198 1.00 0.00 H new ATOM 0 HA ILE A 412 2.626 0.100 7.277 1.00 0.00 H new ATOM 0 HB ILE A 412 3.798 1.623 5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 412 1.918 3.165 5.197 1.00 0.00 H new ATOM 0 HG13 ILE A 412 0.781 1.872 5.524 1.00 0.00 H new ATOM 0 HG21 ILE A 412 3.086 1.975 3.461 1.00 0.00 H new ATOM 0 HG22 ILE A 412 3.709 0.330 3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 412 1.956 0.608 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 412 0.937 3.402 7.425 1.00 0.00 H new ATOM 0 HD12 ILE A 412 1.533 1.787 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 412 2.687 3.100 7.543 1.00 0.00 H new ATOM 456 N ASP A 413 0.227 -0.376 6.742 1.00 0.00 N ATOM 457 CA ASP A 413 -1.154 -0.767 6.500 1.00 0.00 C ATOM 458 C ASP A 413 -1.866 0.264 5.642 1.00 0.00 C ATOM 459 O ASP A 413 -1.711 1.474 5.828 1.00 0.00 O ATOM 460 CB ASP A 413 -1.926 -0.973 7.811 1.00 0.00 C ATOM 461 CG ASP A 413 -1.786 0.192 8.771 1.00 0.00 C ATOM 462 OD1 ASP A 413 -0.821 0.202 9.562 1.00 0.00 O ATOM 463 OD2 ASP A 413 -2.645 1.100 8.752 1.00 0.00 O ATOM 0 H ASP A 413 0.383 0.092 7.635 1.00 0.00 H new ATOM 0 HA ASP A 413 -1.127 -1.718 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -2.981 -1.125 7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -1.570 -1.882 8.297 1.00 0.00 H new ATOM 468 N VAL A 414 -2.631 -0.227 4.688 1.00 0.00 N ATOM 469 CA VAL A 414 -3.433 0.627 3.835 1.00 0.00 C ATOM 470 C VAL A 414 -4.906 0.396 4.102 1.00 0.00 C ATOM 471 O VAL A 414 -5.404 -0.724 3.977 1.00 0.00 O ATOM 472 CB VAL A 414 -3.135 0.399 2.339 1.00 0.00 C ATOM 473 CG1 VAL A 414 -4.096 1.200 1.476 1.00 0.00 C ATOM 474 CG2 VAL A 414 -1.703 0.784 2.020 1.00 0.00 C ATOM 0 H VAL A 414 -2.714 -1.223 4.483 1.00 0.00 H new ATOM 0 HA VAL A 414 -3.171 1.658 4.073 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.270 -0.660 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -3.871 1.027 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.119 0.887 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -3.988 2.261 1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -1.509 0.617 0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -1.548 1.837 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -1.022 0.175 2.614 1.00 0.00 H new ATOM 484 N ALA A 415 -5.592 1.455 4.484 1.00 0.00 N ATOM 485 CA ALA A 415 -7.009 1.373 4.746 1.00 0.00 C ATOM 486 C ALA A 415 -7.779 2.009 3.604 1.00 0.00 C ATOM 487 O ALA A 415 -7.545 3.165 3.257 1.00 0.00 O ATOM 488 CB ALA A 415 -7.350 2.040 6.072 1.00 0.00 C ATOM 0 H ALA A 415 -5.188 2.382 4.619 1.00 0.00 H new ATOM 0 HA ALA A 415 -7.296 0.324 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 415 -8.423 1.967 6.251 1.00 0.00 H new ATOM 0 HB2 ALA A 415 -6.813 1.541 6.879 1.00 0.00 H new ATOM 0 HB3 ALA A 415 -7.058 3.090 6.037 1.00 0.00 H new ATOM 494 N CYS A 416 -8.664 1.250 2.994 1.00 0.00 N ATOM 495 CA CYS A 416 -9.469 1.773 1.911 1.00 0.00 C ATOM 496 C CYS A 416 -10.854 2.134 2.427 1.00 0.00 C ATOM 497 O CYS A 416 -11.127 2.010 3.623 1.00 0.00 O ATOM 498 CB CYS A 416 -9.582 0.750 0.783 1.00 0.00 C ATOM 499 SG CYS A 416 -9.883 1.499 -0.845 1.00 0.00 S ATOM 0 H CYS A 416 -8.844 0.274 3.228 1.00 0.00 H new ATOM 0 HA CYS A 416 -8.987 2.668 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 416 -8.664 0.164 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 416 -10.392 0.057 1.011 1.00 0.00 H new ATOM 504 N HIS A 417 -11.726 2.584 1.540 1.00 0.00 N ATOM 505 CA HIS A 417 -13.099 2.880 1.918 1.00 0.00 C ATOM 506 C HIS A 417 -13.891 1.580 2.043 1.00 0.00 C ATOM 507 O HIS A 417 -13.426 0.525 1.609 1.00 0.00 O ATOM 508 CB HIS A 417 -13.747 3.832 0.907 1.00 0.00 C ATOM 509 CG HIS A 417 -13.300 5.256 1.056 1.00 0.00 C ATOM 510 ND1 HIS A 417 -12.269 5.799 0.328 1.00 0.00 N ATOM 511 CD2 HIS A 417 -13.747 6.249 1.863 1.00 0.00 C ATOM 512 CE1 HIS A 417 -12.096 7.059 0.676 1.00 0.00 C ATOM 513 NE2 HIS A 417 -12.980 7.357 1.605 1.00 0.00 N ATOM 0 H HIS A 417 -11.510 2.752 0.557 1.00 0.00 H new ATOM 0 HA HIS A 417 -13.102 3.381 2.886 1.00 0.00 H new ATOM 0 HB2 HIS A 417 -13.516 3.490 -0.102 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -14.830 3.786 1.019 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -11.721 5.303 -0.375 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -14.556 6.181 2.576 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -11.356 7.732 0.269 1.00 0.00 H new ATOM 522 N PRO A 418 -15.085 1.637 2.651 1.00 0.00 N ATOM 523 CA PRO A 418 -15.897 0.450 2.930 1.00 0.00 C ATOM 524 C PRO A 418 -16.174 -0.396 1.690 1.00 0.00 C ATOM 525 O PRO A 418 -16.879 0.031 0.771 1.00 0.00 O ATOM 526 CB PRO A 418 -17.199 1.034 3.481 1.00 0.00 C ATOM 527 CG PRO A 418 -16.813 2.355 4.035 1.00 0.00 C ATOM 528 CD PRO A 418 -15.746 2.866 3.119 1.00 0.00 C ATOM 0 HA PRO A 418 -15.388 -0.229 3.614 1.00 0.00 H new ATOM 0 HB2 PRO A 418 -17.950 1.137 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 418 -17.627 0.391 4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 418 -17.665 3.034 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 418 -16.444 2.261 5.056 1.00 0.00 H new ATOM 0 HD2 PRO A 418 -16.166 3.437 2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 418 -15.050 3.524 3.639 1.00 0.00 H new ATOM 536 N GLY A 419 -15.610 -1.594 1.676 1.00 0.00 N ATOM 537 CA GLY A 419 -15.852 -2.518 0.587 1.00 0.00 C ATOM 538 C GLY A 419 -14.669 -2.653 -0.346 1.00 0.00 C ATOM 539 O GLY A 419 -14.752 -3.341 -1.360 1.00 0.00 O ATOM 0 H GLY A 419 -14.986 -1.944 2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 419 -16.099 -3.498 0.997 1.00 0.00 H new ATOM 0 HA3 GLY A 419 -16.720 -2.183 0.019 1.00 0.00 H new ATOM 543 N TYR A 420 -13.566 -1.998 -0.017 1.00 0.00 N ATOM 544 CA TYR A 420 -12.359 -2.096 -0.821 1.00 0.00 C ATOM 545 C TYR A 420 -11.205 -2.604 0.032 1.00 0.00 C ATOM 546 O TYR A 420 -11.054 -2.191 1.182 1.00 0.00 O ATOM 547 CB TYR A 420 -12.003 -0.739 -1.426 1.00 0.00 C ATOM 548 CG TYR A 420 -13.078 -0.151 -2.311 1.00 0.00 C ATOM 549 CD1 TYR A 420 -14.095 0.633 -1.781 1.00 0.00 C ATOM 550 CD2 TYR A 420 -13.073 -0.380 -3.679 1.00 0.00 C ATOM 551 CE1 TYR A 420 -15.080 1.167 -2.591 1.00 0.00 C ATOM 552 CE2 TYR A 420 -14.053 0.153 -4.495 1.00 0.00 C ATOM 553 CZ TYR A 420 -15.053 0.924 -3.947 1.00 0.00 C ATOM 554 OH TYR A 420 -16.032 1.452 -4.761 1.00 0.00 O ATOM 0 H TYR A 420 -13.482 -1.394 0.800 1.00 0.00 H new ATOM 0 HA TYR A 420 -12.541 -2.800 -1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 420 -11.791 -0.039 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 420 -11.087 -0.843 -2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 420 -14.117 0.829 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 420 -12.291 -0.985 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 420 -15.866 1.771 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR A 420 -14.034 -0.035 -5.558 1.00 0.00 H new ATOM 0 HH TYR A 420 -15.864 1.186 -5.689 1.00 0.00 H new ATOM 564 N ALA A 421 -10.397 -3.498 -0.526 1.00 0.00 N ATOM 565 CA ALA A 421 -9.274 -4.072 0.209 1.00 0.00 C ATOM 566 C ALA A 421 -8.208 -4.585 -0.751 1.00 0.00 C ATOM 567 O ALA A 421 -8.400 -4.569 -1.965 1.00 0.00 O ATOM 568 CB ALA A 421 -9.751 -5.196 1.119 1.00 0.00 C ATOM 0 H ALA A 421 -10.497 -3.841 -1.481 1.00 0.00 H new ATOM 0 HA ALA A 421 -8.834 -3.288 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 421 -8.901 -5.612 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 421 -10.477 -4.804 1.831 1.00 0.00 H new ATOM 0 HB3 ALA A 421 -10.217 -5.977 0.519 1.00 0.00 H new ATOM 574 N LEU A 422 -7.087 -5.042 -0.207 1.00 0.00 N ATOM 575 CA LEU A 422 -5.990 -5.531 -1.029 1.00 0.00 C ATOM 576 C LEU A 422 -6.311 -6.878 -1.664 1.00 0.00 C ATOM 577 O LEU A 422 -6.970 -7.727 -1.065 1.00 0.00 O ATOM 578 CB LEU A 422 -4.704 -5.632 -0.213 1.00 0.00 C ATOM 579 CG LEU A 422 -4.048 -4.292 0.097 1.00 0.00 C ATOM 580 CD1 LEU A 422 -2.959 -4.452 1.144 1.00 0.00 C ATOM 581 CD2 LEU A 422 -3.479 -3.676 -1.167 1.00 0.00 C ATOM 0 H LEU A 422 -6.915 -5.084 0.797 1.00 0.00 H new ATOM 0 HA LEU A 422 -5.847 -4.808 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 422 -4.923 -6.141 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 422 -3.992 -6.254 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 422 -4.811 -3.625 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 422 -2.506 -3.482 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 422 -3.392 -4.851 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 422 -2.197 -5.138 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 422 -3.014 -2.719 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 422 -2.733 -4.346 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 422 -4.281 -3.520 -1.888 1.00 0.00 H new ATOM 593 N PRO A 423 -5.816 -7.061 -2.895 1.00 0.00 N ATOM 594 CA PRO A 423 -6.037 -8.255 -3.736 1.00 0.00 C ATOM 595 C PRO A 423 -5.555 -9.573 -3.133 1.00 0.00 C ATOM 596 O PRO A 423 -5.694 -10.633 -3.746 1.00 0.00 O ATOM 597 CB PRO A 423 -5.226 -7.950 -4.987 1.00 0.00 C ATOM 598 CG PRO A 423 -5.100 -6.480 -5.020 1.00 0.00 C ATOM 599 CD PRO A 423 -5.012 -6.056 -3.594 1.00 0.00 C ATOM 0 HA PRO A 423 -7.105 -8.411 -3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.247 -8.428 -4.948 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -5.727 -8.322 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.213 -6.174 -5.576 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.958 -6.023 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.981 -6.047 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.408 -5.051 -3.448 1.00 0.00 H new ATOM 607 N LYS A 424 -4.991 -9.508 -1.947 1.00 0.00 N ATOM 608 CA LYS A 424 -4.457 -10.688 -1.289 1.00 0.00 C ATOM 609 C LYS A 424 -5.039 -10.837 0.112 1.00 0.00 C ATOM 610 O LYS A 424 -4.403 -11.415 0.993 1.00 0.00 O ATOM 611 CB LYS A 424 -2.928 -10.622 -1.208 1.00 0.00 C ATOM 612 CG LYS A 424 -2.234 -10.633 -2.562 1.00 0.00 C ATOM 613 CD LYS A 424 -2.488 -11.924 -3.336 1.00 0.00 C ATOM 614 CE LYS A 424 -1.723 -13.116 -2.766 1.00 0.00 C ATOM 615 NZ LYS A 424 -2.342 -13.672 -1.530 1.00 0.00 N ATOM 0 H LYS A 424 -4.888 -8.645 -1.412 1.00 0.00 H new ATOM 0 HA LYS A 424 -4.742 -11.556 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 424 -2.642 -9.717 -0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 424 -2.569 -11.467 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 424 -2.581 -9.785 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 424 -1.161 -10.504 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 424 -3.555 -12.145 -3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 424 -2.203 -11.780 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 424 -1.668 -13.900 -3.522 1.00 0.00 H new ATOM 0 HE3 LYS A 424 -0.699 -12.812 -2.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 -1.761 -13.417 -0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 -3.298 -13.280 -1.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 -2.399 -14.708 -1.606 1.00 0.00 H new ATOM 629 N ALA A 425 -6.245 -10.303 0.308 1.00 0.00 N ATOM 630 CA ALA A 425 -6.917 -10.332 1.610 1.00 0.00 C ATOM 631 C ALA A 425 -6.042 -9.703 2.691 1.00 0.00 C ATOM 632 O ALA A 425 -6.125 -10.062 3.864 1.00 0.00 O ATOM 633 CB ALA A 425 -7.296 -11.759 1.989 1.00 0.00 C ATOM 0 H ALA A 425 -6.782 -9.841 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 425 -7.831 -9.743 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 425 -7.794 -11.758 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 425 -7.969 -12.169 1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 425 -6.396 -12.372 2.043 1.00 0.00 H new ATOM 639 N GLN A 426 -5.205 -8.762 2.281 1.00 0.00 N ATOM 640 CA GLN A 426 -4.272 -8.118 3.181 1.00 0.00 C ATOM 641 C GLN A 426 -4.776 -6.739 3.569 1.00 0.00 C ATOM 642 O GLN A 426 -5.696 -6.204 2.947 1.00 0.00 O ATOM 643 CB GLN A 426 -2.906 -7.997 2.503 1.00 0.00 C ATOM 644 CG GLN A 426 -2.164 -9.317 2.368 1.00 0.00 C ATOM 645 CD GLN A 426 -1.714 -9.879 3.703 1.00 0.00 C ATOM 646 OE1 GLN A 426 -1.420 -9.136 4.641 1.00 0.00 O ATOM 647 NE2 GLN A 426 -1.650 -11.197 3.794 1.00 0.00 N ATOM 0 H GLN A 426 -5.156 -8.427 1.319 1.00 0.00 H new ATOM 0 HA GLN A 426 -4.179 -8.722 4.083 1.00 0.00 H new ATOM 0 HB2 GLN A 426 -3.041 -7.565 1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 426 -2.289 -7.302 3.073 1.00 0.00 H new ATOM 0 HG2 GLN A 426 -2.810 -10.042 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 426 -1.294 -9.175 1.727 1.00 0.00 H new ATOM 0 HE21 GLN A 426 -1.902 -11.776 2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 426 -1.348 -11.634 4.665 1.00 0.00 H new ATOM 656 N THR A 427 -4.174 -6.177 4.601 1.00 0.00 N ATOM 657 CA THR A 427 -4.481 -4.825 5.027 1.00 0.00 C ATOM 658 C THR A 427 -3.196 -4.029 5.069 1.00 0.00 C ATOM 659 O THR A 427 -3.185 -2.831 5.343 1.00 0.00 O ATOM 660 CB THR A 427 -5.150 -4.795 6.416 1.00 0.00 C ATOM 661 OG1 THR A 427 -4.486 -5.703 7.307 1.00 0.00 O ATOM 662 CG2 THR A 427 -6.625 -5.155 6.319 1.00 0.00 C ATOM 0 H THR A 427 -3.462 -6.642 5.165 1.00 0.00 H new ATOM 0 HA THR A 427 -5.184 -4.392 4.316 1.00 0.00 H new ATOM 0 HB THR A 427 -5.067 -3.781 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 427 -4.919 -5.674 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 427 -7.073 -5.126 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 427 -7.132 -4.440 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 427 -6.728 -6.157 5.903 1.00 0.00 H new ATOM 670 N THR A 428 -2.115 -4.724 4.774 1.00 0.00 N ATOM 671 CA THR A 428 -0.790 -4.170 4.849 1.00 0.00 C ATOM 672 C THR A 428 -0.048 -4.394 3.538 1.00 0.00 C ATOM 673 O THR A 428 -0.283 -5.381 2.842 1.00 0.00 O ATOM 674 CB THR A 428 -0.012 -4.844 5.984 1.00 0.00 C ATOM 675 OG1 THR A 428 -0.790 -5.915 6.543 1.00 0.00 O ATOM 676 CG2 THR A 428 0.361 -3.855 7.073 1.00 0.00 C ATOM 0 H THR A 428 -2.139 -5.698 4.473 1.00 0.00 H new ATOM 0 HA THR A 428 -0.871 -3.100 5.039 1.00 0.00 H new ATOM 0 HB THR A 428 0.912 -5.242 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 428 -0.286 -6.342 7.267 1.00 0.00 H new ATOM 0 HG21 THR A 428 0.911 -4.371 7.860 1.00 0.00 H new ATOM 0 HG22 THR A 428 0.984 -3.067 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 428 -0.545 -3.416 7.492 1.00 0.00 H new ATOM 684 N VAL A 429 0.839 -3.478 3.208 1.00 0.00 N ATOM 685 CA VAL A 429 1.662 -3.594 2.022 1.00 0.00 C ATOM 686 C VAL A 429 3.091 -3.242 2.365 1.00 0.00 C ATOM 687 O VAL A 429 3.350 -2.273 3.082 1.00 0.00 O ATOM 688 CB VAL A 429 1.137 -2.711 0.868 1.00 0.00 C ATOM 689 CG1 VAL A 429 0.799 -1.313 1.354 1.00 0.00 C ATOM 690 CG2 VAL A 429 2.135 -2.643 -0.254 1.00 0.00 C ATOM 0 H VAL A 429 1.010 -2.633 3.754 1.00 0.00 H new ATOM 0 HA VAL A 429 1.618 -4.626 1.673 1.00 0.00 H new ATOM 0 HB VAL A 429 0.223 -3.172 0.493 1.00 0.00 H new ATOM 0 HG11 VAL A 429 0.432 -0.716 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 429 0.029 -1.372 2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 429 1.692 -0.846 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 429 1.741 -2.016 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 429 3.069 -2.218 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 429 2.320 -3.646 -0.638 1.00 0.00 H new ATOM 700 N THR A 430 4.022 -4.050 1.891 1.00 0.00 N ATOM 701 CA THR A 430 5.395 -3.873 2.275 1.00 0.00 C ATOM 702 C THR A 430 6.317 -3.787 1.076 1.00 0.00 C ATOM 703 O THR A 430 5.960 -4.186 -0.030 1.00 0.00 O ATOM 704 CB THR A 430 5.875 -5.002 3.203 1.00 0.00 C ATOM 705 OG1 THR A 430 6.314 -6.126 2.430 1.00 0.00 O ATOM 706 CG2 THR A 430 4.771 -5.464 4.138 1.00 0.00 C ATOM 0 H THR A 430 3.848 -4.823 1.248 1.00 0.00 H new ATOM 0 HA THR A 430 5.436 -2.926 2.814 1.00 0.00 H new ATOM 0 HB THR A 430 6.699 -4.603 3.795 1.00 0.00 H new ATOM 0 HG1 THR A 430 6.619 -6.837 3.031 1.00 0.00 H new ATOM 0 HG21 THR A 430 5.147 -6.262 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 430 4.443 -4.628 4.755 1.00 0.00 H new ATOM 0 HG23 THR A 430 3.930 -5.835 3.552 1.00 0.00 H new ATOM 714 N CYS A 431 7.507 -3.257 1.313 1.00 0.00 N ATOM 715 CA CYS A 431 8.475 -3.032 0.262 1.00 0.00 C ATOM 716 C CYS A 431 9.380 -4.241 0.126 1.00 0.00 C ATOM 717 O CYS A 431 10.309 -4.419 0.919 1.00 0.00 O ATOM 718 CB CYS A 431 9.311 -1.803 0.599 1.00 0.00 C ATOM 719 SG CYS A 431 10.389 -1.197 -0.736 1.00 0.00 S ATOM 0 H CYS A 431 7.824 -2.973 2.240 1.00 0.00 H new ATOM 0 HA CYS A 431 7.952 -2.871 -0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 431 8.638 -0.997 0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 431 9.930 -2.033 1.466 1.00 0.00 H new ATOM 724 N MET A 432 9.088 -5.080 -0.851 1.00 0.00 N ATOM 725 CA MET A 432 9.932 -6.219 -1.145 1.00 0.00 C ATOM 726 C MET A 432 10.974 -5.790 -2.178 1.00 0.00 C ATOM 727 O MET A 432 11.192 -4.594 -2.375 1.00 0.00 O ATOM 728 CB MET A 432 9.088 -7.409 -1.639 1.00 0.00 C ATOM 729 CG MET A 432 8.694 -7.320 -3.098 1.00 0.00 C ATOM 730 SD MET A 432 7.673 -8.708 -3.637 1.00 0.00 S ATOM 731 CE MET A 432 7.317 -8.232 -5.329 1.00 0.00 C ATOM 0 H MET A 432 8.270 -4.992 -1.454 1.00 0.00 H new ATOM 0 HA MET A 432 10.443 -6.554 -0.243 1.00 0.00 H new ATOM 0 HB2 MET A 432 9.649 -8.330 -1.480 1.00 0.00 H new ATOM 0 HB3 MET A 432 8.185 -7.477 -1.033 1.00 0.00 H new ATOM 0 HG2 MET A 432 8.151 -6.390 -3.266 1.00 0.00 H new ATOM 0 HG3 MET A 432 9.595 -7.279 -3.710 1.00 0.00 H new ATOM 0 HE1 MET A 432 6.291 -8.505 -5.576 1.00 0.00 H new ATOM 0 HE2 MET A 432 7.442 -7.155 -5.438 1.00 0.00 H new ATOM 0 HE3 MET A 432 8.002 -8.746 -6.003 1.00 0.00 H new ATOM 741 N GLU A 433 11.602 -6.745 -2.839 1.00 0.00 N ATOM 742 CA GLU A 433 12.665 -6.439 -3.784 1.00 0.00 C ATOM 743 C GLU A 433 12.123 -5.664 -4.981 1.00 0.00 C ATOM 744 O GLU A 433 12.667 -4.633 -5.372 1.00 0.00 O ATOM 745 CB GLU A 433 13.325 -7.729 -4.249 1.00 0.00 C ATOM 746 CG GLU A 433 14.489 -7.525 -5.197 1.00 0.00 C ATOM 747 CD GLU A 433 15.183 -8.828 -5.522 1.00 0.00 C ATOM 748 OE1 GLU A 433 15.880 -9.367 -4.637 1.00 0.00 O ATOM 749 OE2 GLU A 433 15.020 -9.327 -6.654 1.00 0.00 O ATOM 0 H GLU A 433 11.396 -7.739 -2.740 1.00 0.00 H new ATOM 0 HA GLU A 433 13.405 -5.815 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 433 13.674 -8.280 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 433 12.576 -8.351 -4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 433 14.131 -7.064 -6.118 1.00 0.00 H new ATOM 0 HG3 GLU A 433 15.204 -6.834 -4.751 1.00 0.00 H new ATOM 756 N ASN A 434 11.047 -6.170 -5.557 1.00 0.00 N ATOM 757 CA ASN A 434 10.439 -5.543 -6.721 1.00 0.00 C ATOM 758 C ASN A 434 9.309 -4.582 -6.314 1.00 0.00 C ATOM 759 O ASN A 434 8.289 -4.474 -6.999 1.00 0.00 O ATOM 760 CB ASN A 434 9.917 -6.625 -7.672 1.00 0.00 C ATOM 761 CG ASN A 434 9.611 -6.093 -9.057 1.00 0.00 C ATOM 762 OD1 ASN A 434 10.258 -5.161 -9.535 1.00 0.00 O ATOM 763 ND2 ASN A 434 8.623 -6.675 -9.714 1.00 0.00 N ATOM 0 H ASN A 434 10.574 -7.015 -5.238 1.00 0.00 H new ATOM 0 HA ASN A 434 11.198 -4.952 -7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 434 10.657 -7.422 -7.749 1.00 0.00 H new ATOM 0 HB3 ASN A 434 9.015 -7.068 -7.251 1.00 0.00 H new ATOM 0 HD21 ASN A 434 8.374 -6.354 -10.650 1.00 0.00 H new ATOM 0 HD22 ASN A 434 8.109 -7.445 -9.285 1.00 0.00 H new ATOM 770 N GLY A 435 9.492 -3.893 -5.190 1.00 0.00 N ATOM 771 CA GLY A 435 8.531 -2.881 -4.767 1.00 0.00 C ATOM 772 C GLY A 435 7.534 -3.392 -3.739 1.00 0.00 C ATOM 773 O GLY A 435 7.747 -4.440 -3.133 1.00 0.00 O ATOM 0 H GLY A 435 10.287 -4.015 -4.563 1.00 0.00 H new ATOM 0 HA2 GLY A 435 9.070 -2.030 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 435 7.989 -2.517 -5.640 1.00 0.00 H new ATOM 777 N TRP A 436 6.455 -2.632 -3.526 1.00 0.00 N ATOM 778 CA TRP A 436 5.365 -3.059 -2.649 1.00 0.00 C ATOM 779 C TRP A 436 4.867 -4.433 -3.102 1.00 0.00 C ATOM 780 O TRP A 436 4.341 -4.580 -4.205 1.00 0.00 O ATOM 781 CB TRP A 436 4.202 -2.071 -2.730 1.00 0.00 C ATOM 782 CG TRP A 436 4.482 -0.674 -2.248 1.00 0.00 C ATOM 783 CD1 TRP A 436 4.460 0.468 -2.998 1.00 0.00 C ATOM 784 CD2 TRP A 436 4.775 -0.265 -0.910 1.00 0.00 C ATOM 785 NE1 TRP A 436 4.704 1.556 -2.206 1.00 0.00 N ATOM 786 CE2 TRP A 436 4.902 1.137 -0.923 1.00 0.00 C ATOM 787 CE3 TRP A 436 4.939 -0.944 0.296 1.00 0.00 C ATOM 788 CZ2 TRP A 436 5.174 1.870 0.222 1.00 0.00 C ATOM 789 CZ3 TRP A 436 5.215 -0.216 1.433 1.00 0.00 C ATOM 790 CH2 TRP A 436 5.326 1.181 1.388 1.00 0.00 C ATOM 0 H TRP A 436 6.315 -1.716 -3.951 1.00 0.00 H new ATOM 0 HA TRP A 436 5.734 -3.103 -1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 436 3.871 -2.016 -3.767 1.00 0.00 H new ATOM 0 HB3 TRP A 436 3.370 -2.473 -2.151 1.00 0.00 H new ATOM 0 HD1 TRP A 436 4.277 0.506 -4.062 1.00 0.00 H new ATOM 0 HE1 TRP A 436 4.733 2.525 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 436 4.851 -2.020 0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 436 5.262 2.946 0.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 436 5.348 -0.730 2.374 1.00 0.00 H new ATOM 0 HH2 TRP A 436 5.537 1.723 2.298 1.00 0.00 H new ATOM 801 N SER A 437 5.010 -5.424 -2.231 1.00 0.00 N ATOM 802 CA SER A 437 4.722 -6.811 -2.579 1.00 0.00 C ATOM 803 C SER A 437 3.220 -7.034 -2.801 1.00 0.00 C ATOM 804 O SER A 437 2.825 -7.572 -3.834 1.00 0.00 O ATOM 805 CB SER A 437 5.296 -7.754 -1.517 1.00 0.00 C ATOM 806 OG SER A 437 4.917 -9.103 -1.746 1.00 0.00 O ATOM 0 H SER A 437 5.326 -5.292 -1.270 1.00 0.00 H new ATOM 0 HA SER A 437 5.211 -7.039 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 437 6.383 -7.678 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 437 4.952 -7.443 -0.531 1.00 0.00 H new ATOM 0 HG SER A 437 5.556 -9.523 -2.359 1.00 0.00 H new ATOM 812 N PRO A 438 2.355 -6.645 -1.843 1.00 0.00 N ATOM 813 CA PRO A 438 0.908 -6.611 -2.070 1.00 0.00 C ATOM 814 C PRO A 438 0.522 -5.516 -3.061 1.00 0.00 C ATOM 815 O PRO A 438 -0.462 -5.645 -3.794 1.00 0.00 O ATOM 816 CB PRO A 438 0.339 -6.278 -0.686 1.00 0.00 C ATOM 817 CG PRO A 438 1.424 -6.611 0.267 1.00 0.00 C ATOM 818 CD PRO A 438 2.684 -6.277 -0.459 1.00 0.00 C ATOM 0 HA PRO A 438 0.535 -7.546 -2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 438 0.062 -5.226 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 438 -0.560 -6.859 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 438 1.333 -6.034 1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 438 1.396 -7.664 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 438 2.938 -5.221 -0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 438 3.535 -6.843 -0.079 1.00 0.00 H new ATOM 826 N THR A 439 1.326 -4.449 -3.082 1.00 0.00 N ATOM 827 CA THR A 439 1.039 -3.256 -3.869 1.00 0.00 C ATOM 828 C THR A 439 -0.207 -2.543 -3.332 1.00 0.00 C ATOM 829 O THR A 439 -1.282 -3.128 -3.250 1.00 0.00 O ATOM 830 CB THR A 439 0.860 -3.592 -5.365 1.00 0.00 C ATOM 831 OG1 THR A 439 2.006 -4.315 -5.838 1.00 0.00 O ATOM 832 CG2 THR A 439 0.684 -2.328 -6.197 1.00 0.00 C ATOM 0 H THR A 439 2.195 -4.392 -2.551 1.00 0.00 H new ATOM 0 HA THR A 439 1.895 -2.588 -3.777 1.00 0.00 H new ATOM 0 HB THR A 439 -0.037 -4.202 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 439 2.713 -4.288 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 439 0.560 -2.597 -7.246 1.00 0.00 H new ATOM 0 HG22 THR A 439 -0.198 -1.787 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 439 1.564 -1.694 -6.086 1.00 0.00 H new ATOM 840 N PRO A 440 -0.064 -1.271 -2.925 1.00 0.00 N ATOM 841 CA PRO A 440 -1.175 -0.478 -2.398 1.00 0.00 C ATOM 842 C PRO A 440 -2.242 -0.229 -3.456 1.00 0.00 C ATOM 843 O PRO A 440 -2.189 0.750 -4.198 1.00 0.00 O ATOM 844 CB PRO A 440 -0.529 0.841 -1.964 1.00 0.00 C ATOM 845 CG PRO A 440 0.939 0.595 -1.967 1.00 0.00 C ATOM 846 CD PRO A 440 1.184 -0.507 -2.952 1.00 0.00 C ATOM 0 HA PRO A 440 -1.684 -0.989 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 440 -0.791 1.648 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 440 -0.874 1.138 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 440 1.483 1.496 -2.250 1.00 0.00 H new ATOM 0 HG3 PRO A 440 1.287 0.312 -0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 440 1.394 -0.116 -3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 440 2.037 -1.121 -2.664 1.00 0.00 H new ATOM 854 N ARG A 441 -3.193 -1.141 -3.526 1.00 0.00 N ATOM 855 CA ARG A 441 -4.256 -1.079 -4.511 1.00 0.00 C ATOM 856 C ARG A 441 -5.499 -1.771 -3.975 1.00 0.00 C ATOM 857 O ARG A 441 -5.674 -2.980 -4.130 1.00 0.00 O ATOM 858 CB ARG A 441 -3.798 -1.743 -5.819 1.00 0.00 C ATOM 859 CG ARG A 441 -3.151 -3.104 -5.596 1.00 0.00 C ATOM 860 CD ARG A 441 -2.741 -3.778 -6.890 1.00 0.00 C ATOM 861 NE ARG A 441 -2.000 -5.016 -6.637 1.00 0.00 N ATOM 862 CZ ARG A 441 -1.949 -6.040 -7.484 1.00 0.00 C ATOM 863 NH1 ARG A 441 -2.684 -6.025 -8.588 1.00 0.00 N ATOM 864 NH2 ARG A 441 -1.194 -7.097 -7.209 1.00 0.00 N ATOM 0 H ARG A 441 -3.250 -1.946 -2.902 1.00 0.00 H new ATOM 0 HA ARG A 441 -4.495 -0.035 -4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 441 -4.655 -1.858 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 441 -3.089 -1.087 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 441 -2.274 -2.984 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 441 -3.848 -3.749 -5.060 1.00 0.00 H new ATOM 0 HD2 ARG A 441 -3.628 -3.998 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 441 -2.125 -3.097 -7.477 1.00 0.00 H new ATOM 0 HE ARG A 441 -1.492 -5.098 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 441 -3.288 -5.228 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 441 -2.645 -6.810 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 441 -0.651 -7.125 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 441 -1.157 -7.881 -7.861 1.00 0.00 H new ATOM 878 N CYS A 442 -6.353 -1.010 -3.328 1.00 0.00 N ATOM 879 CA CYS A 442 -7.538 -1.577 -2.725 1.00 0.00 C ATOM 880 C CYS A 442 -8.651 -1.721 -3.757 1.00 0.00 C ATOM 881 O CYS A 442 -9.260 -0.743 -4.189 1.00 0.00 O ATOM 882 CB CYS A 442 -7.973 -0.729 -1.534 1.00 0.00 C ATOM 883 SG CYS A 442 -8.221 1.036 -1.908 1.00 0.00 S ATOM 0 H CYS A 442 -6.250 -0.003 -3.206 1.00 0.00 H new ATOM 0 HA CYS A 442 -7.309 -2.577 -2.358 1.00 0.00 H new ATOM 0 HB2 CYS A 442 -8.902 -1.136 -1.135 1.00 0.00 H new ATOM 0 HB3 CYS A 442 -7.223 -0.818 -0.748 1.00 0.00 H new ATOM 888 N ILE A 443 -8.879 -2.956 -4.169 1.00 0.00 N ATOM 889 CA ILE A 443 -9.897 -3.270 -5.146 1.00 0.00 C ATOM 890 C ILE A 443 -11.231 -3.530 -4.469 1.00 0.00 C ATOM 891 O ILE A 443 -11.290 -3.792 -3.265 1.00 0.00 O ATOM 892 CB ILE A 443 -9.503 -4.495 -5.989 1.00 0.00 C ATOM 893 CG1 ILE A 443 -8.827 -5.561 -5.123 1.00 0.00 C ATOM 894 CG2 ILE A 443 -8.599 -4.075 -7.139 1.00 0.00 C ATOM 895 CD1 ILE A 443 -8.600 -6.872 -5.845 1.00 0.00 C ATOM 0 H ILE A 443 -8.361 -3.768 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 443 -9.991 -2.407 -5.806 1.00 0.00 H new ATOM 0 HB ILE A 443 -10.410 -4.932 -6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 443 -7.869 -5.178 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 443 -9.440 -5.743 -4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 443 -8.328 -4.952 -7.727 1.00 0.00 H new ATOM 0 HG22 ILE A 443 -9.125 -3.361 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 443 -7.696 -3.611 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 443 -8.118 -7.580 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 443 -9.557 -7.278 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 443 -7.961 -6.704 -6.712 1.00 0.00 H new ATOM 907 N ARG A 444 -12.295 -3.459 -5.250 1.00 0.00 N ATOM 908 CA ARG A 444 -13.631 -3.581 -4.745 1.00 0.00 C ATOM 909 C ARG A 444 -13.983 -5.010 -4.422 1.00 0.00 C ATOM 910 O ARG A 444 -14.156 -5.858 -5.300 1.00 0.00 O ATOM 911 CB ARG A 444 -14.598 -2.996 -5.760 1.00 0.00 C ATOM 912 CG ARG A 444 -16.036 -3.176 -5.374 1.00 0.00 C ATOM 913 CD ARG A 444 -16.960 -2.474 -6.346 1.00 0.00 C ATOM 914 NE ARG A 444 -18.362 -2.799 -6.111 1.00 0.00 N ATOM 915 CZ ARG A 444 -19.295 -2.738 -7.057 1.00 0.00 C ATOM 916 NH1 ARG A 444 -18.963 -2.388 -8.295 1.00 0.00 N ATOM 917 NH2 ARG A 444 -20.555 -3.033 -6.774 1.00 0.00 N ATOM 0 H ARG A 444 -12.244 -3.314 -6.258 1.00 0.00 H new ATOM 0 HA ARG A 444 -13.703 -3.026 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 444 -14.390 -1.933 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 444 -14.427 -3.465 -6.729 1.00 0.00 H new ATOM 0 HG2 ARG A 444 -16.276 -4.239 -5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 444 -16.197 -2.785 -4.369 1.00 0.00 H new ATOM 0 HD2 ARG A 444 -16.820 -1.396 -6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 444 -16.691 -2.752 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 444 -18.641 -3.088 -5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 444 -17.993 -2.166 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 444 -19.678 -2.341 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 444 -20.814 -3.309 -5.827 1.00 0.00 H new ATOM 0 HH22 ARG A 444 -21.266 -2.984 -7.503 1.00 0.00 H new ATOM 931 N VAL A 445 -14.086 -5.239 -3.136 1.00 0.00 N ATOM 932 CA VAL A 445 -14.509 -6.498 -2.592 1.00 0.00 C ATOM 933 C VAL A 445 -16.029 -6.546 -2.574 1.00 0.00 C ATOM 934 O VAL A 445 -16.649 -7.519 -3.007 1.00 0.00 O ATOM 935 CB VAL A 445 -13.980 -6.642 -1.158 1.00 0.00 C ATOM 936 CG1 VAL A 445 -14.435 -7.948 -0.524 1.00 0.00 C ATOM 937 CG2 VAL A 445 -12.468 -6.530 -1.134 1.00 0.00 C ATOM 0 H VAL A 445 -13.873 -4.538 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 445 -14.120 -7.311 -3.205 1.00 0.00 H new ATOM 0 HB VAL A 445 -14.397 -5.827 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -14.042 -8.016 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -15.524 -7.978 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -14.065 -8.787 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -12.112 -6.635 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -12.035 -7.317 -1.751 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -12.169 -5.557 -1.525 1.00 0.00 H new ATOM 947 N LYS A 446 -16.613 -5.464 -2.076 1.00 0.00 N ATOM 948 CA LYS A 446 -18.055 -5.318 -2.005 1.00 0.00 C ATOM 949 C LYS A 446 -18.460 -3.928 -2.473 1.00 0.00 C ATOM 950 O LYS A 446 -18.382 -2.984 -1.666 1.00 0.00 O ATOM 951 CB LYS A 446 -18.561 -5.554 -0.584 1.00 0.00 C ATOM 952 CG LYS A 446 -18.325 -6.966 -0.070 1.00 0.00 C ATOM 953 CD LYS A 446 -18.988 -7.187 1.279 1.00 0.00 C ATOM 954 CE LYS A 446 -20.502 -7.053 1.188 1.00 0.00 C ATOM 955 NZ LYS A 446 -21.087 -8.010 0.210 1.00 0.00 N ATOM 956 OXT LYS A 446 -18.844 -3.786 -3.652 1.00 0.00 O ATOM 0 H LYS A 446 -16.097 -4.664 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 446 -18.505 -6.066 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 446 -18.072 -4.848 0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 446 -19.629 -5.339 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 446 -18.714 -7.686 -0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 446 -17.254 -7.149 0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 446 -18.732 -8.178 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 446 -18.601 -6.465 1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 446 -20.941 -7.225 2.171 1.00 0.00 H new ATOM 0 HE3 LYS A 446 -20.759 -6.034 0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 446 -22.115 -8.070 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 446 -20.893 -7.680 -0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 446 -20.662 -8.949 0.347 1.00 0.00 H new TER 970 LYS A 446