USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 495 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= -0.61 (180deg=-3.05!) USER MOD Single : A 4 GLN : amide:sc= -1.24! C(o=-1.2!,f=-2.9!) USER MOD Single : A 10 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00533) USER MOD Single : A 11 THR OG1 : rot 180:sc= -5.2! USER MOD Single : A 12 THR OG1 : rot -135:sc= -0.144 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.087 (180deg=-0.506) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 155:sc= 0 (180deg=-0.173) USER MOD Single : A 24 ASN : amide:sc= -3.48! C(o=-3.5!,f=-13!) USER MOD Single : A 29 THR OG1 : rot 68:sc= 0.654 USER MOD Single : A 33 SER OG : rot -150:sc= -3.81! USER MOD Single : A 45 ASN : amide:sc= 0.0575 K(o=0.058,f=-1.5) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 55 LYS NZ :NH3+ -152:sc= -3.83! (180deg=-5.39!) USER MOD Single : A 56 SER OG : rot 64:sc= 0.415 USER MOD Single : A 57 ASN : amide:sc= -23.5! C(o=-24!,f=-29!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.834 -4.603 1.006 1.00 0.00 N ATOM 2 CA MET A 1 -15.392 -3.214 0.687 1.00 0.00 C ATOM 3 C MET A 1 -13.882 -3.184 0.437 1.00 0.00 C ATOM 4 O MET A 1 -13.199 -2.271 0.842 1.00 0.00 O ATOM 5 CB MET A 1 -15.745 -2.389 1.925 1.00 0.00 C ATOM 6 CG MET A 1 -15.144 -3.050 3.166 1.00 0.00 C ATOM 7 SD MET A 1 -16.365 -3.043 4.503 1.00 0.00 S ATOM 8 CE MET A 1 -15.434 -4.067 5.667 1.00 0.00 C ATOM 0 H1 MET A 1 -16.605 -4.570 1.703 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.171 -5.068 0.139 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.035 -5.140 1.398 1.00 0.00 H new ATOM 0 HA MET A 1 -15.872 -2.826 -0.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.363 -1.374 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.827 -2.313 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.845 -4.073 2.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.246 -2.517 3.476 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.012 -4.195 6.582 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.241 -5.042 5.220 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.487 -3.582 5.902 1.00 0.00 H new ATOM 20 N ASP A 2 -13.362 -4.184 -0.224 1.00 0.00 N ATOM 21 CA ASP A 2 -11.894 -4.240 -0.508 1.00 0.00 C ATOM 22 C ASP A 2 -11.531 -5.663 -0.941 1.00 0.00 C ATOM 23 O ASP A 2 -10.505 -6.190 -0.559 1.00 0.00 O ATOM 24 CB ASP A 2 -11.202 -3.902 0.817 1.00 0.00 C ATOM 25 CG ASP A 2 -11.931 -4.590 1.974 1.00 0.00 C ATOM 26 OD1 ASP A 2 -11.672 -5.761 2.198 1.00 0.00 O ATOM 27 OD2 ASP A 2 -12.736 -3.935 2.615 1.00 0.00 O ATOM 0 H ASP A 2 -13.897 -4.975 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.594 -3.552 -1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.162 -4.226 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.196 -2.823 0.970 1.00 0.00 H new ATOM 32 N ASP A 3 -12.382 -6.287 -1.720 1.00 0.00 N ATOM 33 CA ASP A 3 -12.122 -7.687 -2.181 1.00 0.00 C ATOM 34 C ASP A 3 -10.627 -7.925 -2.383 1.00 0.00 C ATOM 35 O ASP A 3 -10.085 -7.672 -3.440 1.00 0.00 O ATOM 36 CB ASP A 3 -12.868 -7.806 -3.510 1.00 0.00 C ATOM 37 CG ASP A 3 -14.315 -8.224 -3.245 1.00 0.00 C ATOM 38 OD1 ASP A 3 -14.586 -8.686 -2.150 1.00 0.00 O ATOM 39 OD2 ASP A 3 -15.127 -8.073 -4.142 1.00 0.00 O ATOM 0 H ASP A 3 -13.254 -5.881 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 3 -12.456 -8.425 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.844 -6.854 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.378 -8.539 -4.150 1.00 0.00 H new ATOM 44 N GLN A 4 -9.957 -8.405 -1.372 1.00 0.00 N ATOM 45 CA GLN A 4 -8.495 -8.654 -1.495 1.00 0.00 C ATOM 46 C GLN A 4 -7.762 -7.325 -1.688 1.00 0.00 C ATOM 47 O GLN A 4 -7.046 -6.884 -0.813 1.00 0.00 O ATOM 48 CB GLN A 4 -8.341 -9.546 -2.727 1.00 0.00 C ATOM 49 CG GLN A 4 -7.027 -10.322 -2.634 1.00 0.00 C ATOM 50 CD GLN A 4 -7.076 -11.267 -1.431 1.00 0.00 C ATOM 51 OE1 GLN A 4 -6.856 -10.854 -0.310 1.00 0.00 O ATOM 52 NE2 GLN A 4 -7.357 -12.528 -1.618 1.00 0.00 N ATOM 0 H GLN A 4 -10.361 -8.636 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.074 -9.127 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.180 -10.238 -2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.354 -8.939 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.862 -10.890 -3.550 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.190 -9.631 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.542 -12.875 -2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -7.392 -13.166 -0.823 1.00 0.00 H new ATOM 61 N GLY A 5 -7.963 -6.698 -2.830 1.00 0.00 N ATOM 62 CA GLY A 5 -7.318 -5.379 -3.160 1.00 0.00 C ATOM 63 C GLY A 5 -6.411 -4.883 -2.030 1.00 0.00 C ATOM 64 O GLY A 5 -5.430 -5.512 -1.686 1.00 0.00 O ATOM 0 H GLY A 5 -8.567 -7.059 -3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.734 -5.480 -4.075 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -8.092 -4.636 -3.356 1.00 0.00 H new ATOM 68 N CYS A 6 -6.718 -3.747 -1.464 1.00 0.00 N ATOM 69 CA CYS A 6 -5.870 -3.208 -0.375 1.00 0.00 C ATOM 70 C CYS A 6 -5.772 -4.200 0.801 1.00 0.00 C ATOM 71 O CYS A 6 -6.774 -4.604 1.357 1.00 0.00 O ATOM 72 CB CYS A 6 -6.590 -1.931 0.068 1.00 0.00 C ATOM 73 SG CYS A 6 -6.060 -1.514 1.733 1.00 0.00 S ATOM 0 H CYS A 6 -7.522 -3.171 -1.713 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.847 -3.027 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.363 -1.113 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.670 -2.078 0.042 1.00 0.00 H new ATOM 78 N PRO A 7 -4.557 -4.522 1.161 1.00 0.00 N ATOM 79 CA PRO A 7 -4.306 -5.426 2.304 1.00 0.00 C ATOM 80 C PRO A 7 -4.210 -4.637 3.629 1.00 0.00 C ATOM 81 O PRO A 7 -4.543 -5.142 4.682 1.00 0.00 O ATOM 82 CB PRO A 7 -2.955 -6.044 1.962 1.00 0.00 C ATOM 83 CG PRO A 7 -2.270 -5.052 1.064 1.00 0.00 C ATOM 84 CD PRO A 7 -3.310 -4.097 0.527 1.00 0.00 C ATOM 0 HA PRO A 7 -5.101 -6.158 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.369 -6.227 2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -3.079 -7.005 1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.504 -4.507 1.616 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.768 -5.566 0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -3.068 -3.064 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -3.378 -4.153 -0.559 1.00 0.00 H new ATOM 92 N ARG A 8 -3.739 -3.411 3.588 1.00 0.00 N ATOM 93 CA ARG A 8 -3.602 -2.606 4.852 1.00 0.00 C ATOM 94 C ARG A 8 -4.906 -1.868 5.187 1.00 0.00 C ATOM 95 O ARG A 8 -5.571 -2.165 6.159 1.00 0.00 O ATOM 96 CB ARG A 8 -2.485 -1.593 4.559 1.00 0.00 C ATOM 97 CG ARG A 8 -1.786 -1.192 5.857 1.00 0.00 C ATOM 98 CD ARG A 8 -0.331 -1.652 5.805 1.00 0.00 C ATOM 99 NE ARG A 8 0.258 -1.216 7.100 1.00 0.00 N ATOM 100 CZ ARG A 8 0.272 0.051 7.417 1.00 0.00 C ATOM 101 NH1 ARG A 8 0.497 0.950 6.499 1.00 0.00 N ATOM 102 NH2 ARG A 8 0.061 0.417 8.652 1.00 0.00 N ATOM 0 H ARG A 8 -3.444 -2.932 2.737 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.378 -3.243 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.763 -2.026 3.867 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.902 -0.711 4.074 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.834 -0.111 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.292 -1.642 6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.263 -2.733 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.195 -1.204 4.962 1.00 0.00 H new ATOM 0 HE ARG A 8 0.651 -1.906 7.740 1.00 0.00 H new ATOM 0 HH11 ARG A 8 0.662 0.663 5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 8 0.508 1.940 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -0.115 -0.286 9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.072 1.406 8.900 1.00 0.00 H new ATOM 116 N CYS A 9 -5.261 -0.904 4.386 1.00 0.00 N ATOM 117 CA CYS A 9 -6.527 -0.123 4.650 1.00 0.00 C ATOM 118 C CYS A 9 -7.687 -0.691 3.829 1.00 0.00 C ATOM 119 O CYS A 9 -8.395 0.039 3.164 1.00 0.00 O ATOM 120 CB CYS A 9 -6.272 1.350 4.232 1.00 0.00 C ATOM 121 SG CYS A 9 -4.685 1.602 3.359 1.00 0.00 S ATOM 0 H CYS A 9 -4.739 -0.615 3.559 1.00 0.00 H new ATOM 0 HA CYS A 9 -6.790 -0.189 5.706 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -7.087 1.682 3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -6.291 1.979 5.122 1.00 0.00 H new ATOM 126 N LYS A 10 -7.834 -1.996 3.825 1.00 0.00 N ATOM 127 CA LYS A 10 -8.892 -2.666 2.999 1.00 0.00 C ATOM 128 C LYS A 10 -10.063 -1.726 2.658 1.00 0.00 C ATOM 129 O LYS A 10 -11.063 -1.663 3.343 1.00 0.00 O ATOM 130 CB LYS A 10 -9.344 -3.881 3.828 1.00 0.00 C ATOM 131 CG LYS A 10 -10.449 -3.491 4.811 1.00 0.00 C ATOM 132 CD LYS A 10 -10.482 -4.494 5.966 1.00 0.00 C ATOM 133 CE LYS A 10 -10.675 -5.906 5.411 1.00 0.00 C ATOM 134 NZ LYS A 10 -9.445 -6.646 5.809 1.00 0.00 N ATOM 0 H LYS A 10 -7.255 -2.636 4.369 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.501 -2.966 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.704 -4.666 3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.494 -4.290 4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.272 -2.486 5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.413 -3.474 4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.554 -4.439 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.292 -4.248 6.652 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.569 -6.374 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.794 -5.892 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.545 -7.649 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.623 -6.244 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.307 -6.562 6.836 1.00 0.00 H new ATOM 148 N THR A 11 -9.956 -0.992 1.583 1.00 0.00 N ATOM 149 CA THR A 11 -11.082 -0.089 1.220 1.00 0.00 C ATOM 150 C THR A 11 -10.823 0.641 -0.103 1.00 0.00 C ATOM 151 O THR A 11 -11.630 0.609 -1.006 1.00 0.00 O ATOM 152 CB THR A 11 -11.196 0.892 2.413 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.567 1.080 2.729 1.00 0.00 O ATOM 154 CG2 THR A 11 -10.558 2.261 2.098 1.00 0.00 C ATOM 0 H THR A 11 -9.154 -0.978 0.953 1.00 0.00 H new ATOM 0 HA THR A 11 -12.010 -0.637 1.055 1.00 0.00 H new ATOM 0 HB THR A 11 -10.659 0.459 3.257 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.647 1.699 3.485 1.00 0.00 H new ATOM 0 HG21 THR A 11 -10.661 2.918 2.962 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.501 2.126 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.061 2.708 1.241 1.00 0.00 H new ATOM 162 N THR A 12 -9.733 1.325 -0.191 1.00 0.00 N ATOM 163 CA THR A 12 -9.412 2.125 -1.397 1.00 0.00 C ATOM 164 C THR A 12 -10.049 1.617 -2.675 1.00 0.00 C ATOM 165 O THR A 12 -11.122 2.044 -3.052 1.00 0.00 O ATOM 166 CB THR A 12 -7.909 2.064 -1.476 1.00 0.00 C ATOM 167 OG1 THR A 12 -7.446 0.864 -0.871 1.00 0.00 O ATOM 168 CG2 THR A 12 -7.394 3.260 -0.718 1.00 0.00 C ATOM 0 H THR A 12 -9.026 1.367 0.543 1.00 0.00 H new ATOM 0 HA THR A 12 -9.810 3.135 -1.306 1.00 0.00 H new ATOM 0 HB THR A 12 -7.561 2.074 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.677 1.063 -0.296 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.304 3.265 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.772 4.173 -1.178 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.733 3.208 0.317 1.00 0.00 H new ATOM 176 N LYS A 13 -9.385 0.755 -3.368 1.00 0.00 N ATOM 177 CA LYS A 13 -9.937 0.264 -4.647 1.00 0.00 C ATOM 178 C LYS A 13 -11.446 0.003 -4.521 1.00 0.00 C ATOM 179 O LYS A 13 -12.176 0.079 -5.489 1.00 0.00 O ATOM 180 CB LYS A 13 -9.124 -0.987 -4.940 1.00 0.00 C ATOM 181 CG LYS A 13 -9.356 -2.034 -3.850 1.00 0.00 C ATOM 182 CD LYS A 13 -10.748 -2.627 -4.019 1.00 0.00 C ATOM 183 CE LYS A 13 -10.658 -4.155 -4.048 1.00 0.00 C ATOM 184 NZ LYS A 13 -11.759 -4.587 -4.953 1.00 0.00 N ATOM 0 H LYS A 13 -8.480 0.366 -3.105 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.857 0.979 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.406 -1.394 -5.911 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.065 -0.737 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.602 -2.819 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.258 -1.579 -2.864 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.392 -2.307 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.200 -2.262 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.688 -4.487 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.778 -4.577 -3.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.553 -5.537 -5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.655 -4.607 -4.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.839 -3.918 -5.746 1.00 0.00 H new ATOM 198 N TYR A 14 -11.927 -0.277 -3.334 1.00 0.00 N ATOM 199 CA TYR A 14 -13.394 -0.506 -3.167 1.00 0.00 C ATOM 200 C TYR A 14 -14.095 0.829 -2.881 1.00 0.00 C ATOM 201 O TYR A 14 -15.039 1.200 -3.549 1.00 0.00 O ATOM 202 CB TYR A 14 -13.545 -1.479 -1.992 1.00 0.00 C ATOM 203 CG TYR A 14 -14.849 -2.224 -2.151 1.00 0.00 C ATOM 204 CD1 TYR A 14 -16.060 -1.526 -2.124 1.00 0.00 C ATOM 205 CD2 TYR A 14 -14.847 -3.612 -2.335 1.00 0.00 C ATOM 206 CE1 TYR A 14 -17.270 -2.214 -2.277 1.00 0.00 C ATOM 207 CE2 TYR A 14 -16.056 -4.301 -2.488 1.00 0.00 C ATOM 208 CZ TYR A 14 -17.268 -3.602 -2.459 1.00 0.00 C ATOM 209 OH TYR A 14 -18.460 -4.281 -2.609 1.00 0.00 O ATOM 0 H TYR A 14 -11.372 -0.356 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 14 -13.850 -0.921 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -12.709 -2.179 -1.970 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -13.532 -0.936 -1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -16.062 -0.455 -1.985 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -13.912 -4.152 -2.359 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -18.205 -1.674 -2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -16.053 -5.372 -2.628 1.00 0.00 H new ATOM 0 HH TYR A 14 -18.279 -5.237 -2.726 1.00 0.00 H new ATOM 219 N ARG A 15 -13.621 1.569 -1.911 1.00 0.00 N ATOM 220 CA ARG A 15 -14.241 2.894 -1.609 1.00 0.00 C ATOM 221 C ARG A 15 -14.026 3.790 -2.816 1.00 0.00 C ATOM 222 O ARG A 15 -14.947 4.258 -3.456 1.00 0.00 O ATOM 223 CB ARG A 15 -13.461 3.479 -0.423 1.00 0.00 C ATOM 224 CG ARG A 15 -13.295 2.449 0.693 1.00 0.00 C ATOM 225 CD ARG A 15 -14.652 2.023 1.211 1.00 0.00 C ATOM 226 NE ARG A 15 -15.151 1.026 0.218 1.00 0.00 N ATOM 227 CZ ARG A 15 -16.436 0.925 0.000 1.00 0.00 C ATOM 228 NH1 ARG A 15 -17.150 2.000 -0.198 1.00 0.00 N ATOM 229 NH2 ARG A 15 -17.008 -0.246 -0.010 1.00 0.00 N ATOM 0 H ARG A 15 -12.833 1.313 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 15 -15.304 2.810 -1.385 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.480 3.815 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.983 4.355 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.750 1.582 0.320 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.703 2.872 1.505 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -14.574 1.584 2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.329 2.874 1.290 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.495 0.429 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -16.705 2.918 -0.183 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.153 1.922 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.453 -1.086 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -18.011 -0.322 -0.180 1.00 0.00 H new ATOM 243 N ASN A 16 -12.785 4.002 -3.120 1.00 0.00 N ATOM 244 CA ASN A 16 -12.400 4.835 -4.278 1.00 0.00 C ATOM 245 C ASN A 16 -12.318 3.944 -5.517 1.00 0.00 C ATOM 246 O ASN A 16 -11.853 2.829 -5.427 1.00 0.00 O ATOM 247 CB ASN A 16 -11.003 5.311 -3.903 1.00 0.00 C ATOM 248 CG ASN A 16 -11.017 6.730 -3.358 1.00 0.00 C ATOM 249 OD1 ASN A 16 -12.037 7.389 -3.337 1.00 0.00 O ATOM 250 ND2 ASN A 16 -9.895 7.221 -2.911 1.00 0.00 N ATOM 0 H ASN A 16 -11.998 3.620 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 16 -13.093 5.649 -4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.578 4.639 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.356 5.264 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.866 8.170 -2.538 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.046 6.656 -2.935 1.00 0.00 H new ATOM 257 N PRO A 17 -12.766 4.441 -6.634 1.00 0.00 N ATOM 258 CA PRO A 17 -12.710 3.665 -7.884 1.00 0.00 C ATOM 259 C PRO A 17 -11.512 4.090 -8.752 1.00 0.00 C ATOM 260 O PRO A 17 -10.665 3.290 -9.096 1.00 0.00 O ATOM 261 CB PRO A 17 -14.012 4.073 -8.564 1.00 0.00 C ATOM 262 CG PRO A 17 -14.345 5.442 -8.008 1.00 0.00 C ATOM 263 CD PRO A 17 -13.399 5.731 -6.859 1.00 0.00 C ATOM 0 HA PRO A 17 -12.596 2.593 -7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -13.896 4.107 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.807 3.358 -8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.244 6.202 -8.783 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -15.379 5.472 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -12.671 6.500 -7.118 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -13.931 6.081 -5.974 1.00 0.00 H new ATOM 271 N SER A 18 -11.462 5.340 -9.130 1.00 0.00 N ATOM 272 CA SER A 18 -10.349 5.833 -10.000 1.00 0.00 C ATOM 273 C SER A 18 -8.984 5.329 -9.516 1.00 0.00 C ATOM 274 O SER A 18 -8.142 4.948 -10.303 1.00 0.00 O ATOM 275 CB SER A 18 -10.419 7.356 -9.891 1.00 0.00 C ATOM 276 OG SER A 18 -9.102 7.888 -9.895 1.00 0.00 O ATOM 0 H SER A 18 -12.150 6.048 -8.872 1.00 0.00 H new ATOM 0 HA SER A 18 -10.455 5.475 -11.024 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.992 7.766 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.937 7.643 -8.976 1.00 0.00 H new ATOM 0 HG SER A 18 -9.144 8.865 -9.827 1.00 0.00 H new ATOM 282 N LEU A 19 -8.753 5.332 -8.234 1.00 0.00 N ATOM 283 CA LEU A 19 -7.433 4.859 -7.713 1.00 0.00 C ATOM 284 C LEU A 19 -7.180 3.412 -8.148 1.00 0.00 C ATOM 285 O LEU A 19 -7.817 2.905 -9.049 1.00 0.00 O ATOM 286 CB LEU A 19 -7.567 4.940 -6.191 1.00 0.00 C ATOM 287 CG LEU A 19 -8.279 3.689 -5.666 1.00 0.00 C ATOM 288 CD1 LEU A 19 -8.643 3.891 -4.203 1.00 0.00 C ATOM 289 CD2 LEU A 19 -9.556 3.464 -6.477 1.00 0.00 C ATOM 0 H LEU A 19 -9.416 5.640 -7.523 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.600 5.454 -8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.581 5.027 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.128 5.832 -5.913 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.622 2.825 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.150 3.002 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.736 4.064 -3.623 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.304 4.752 -4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.069 2.575 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.210 4.329 -6.373 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.300 3.327 -7.528 1.00 0.00 H new ATOM 301 N LYS A 20 -6.280 2.733 -7.493 1.00 0.00 N ATOM 302 CA LYS A 20 -6.027 1.313 -7.849 1.00 0.00 C ATOM 303 C LYS A 20 -5.003 0.713 -6.889 1.00 0.00 C ATOM 304 O LYS A 20 -4.749 1.247 -5.825 1.00 0.00 O ATOM 305 CB LYS A 20 -5.495 1.344 -9.282 1.00 0.00 C ATOM 306 CG LYS A 20 -4.431 2.434 -9.422 1.00 0.00 C ATOM 307 CD LYS A 20 -5.072 3.714 -9.963 1.00 0.00 C ATOM 308 CE LYS A 20 -4.316 4.179 -11.210 1.00 0.00 C ATOM 309 NZ LYS A 20 -5.376 4.521 -12.197 1.00 0.00 N ATOM 0 H LYS A 20 -5.712 3.100 -6.730 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.923 0.697 -7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.070 0.374 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.313 1.531 -9.978 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.967 2.629 -8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.640 2.100 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.119 3.534 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.051 4.493 -9.201 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.687 5.042 -10.991 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.661 3.395 -11.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.935 4.849 -13.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.955 3.679 -12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.980 5.275 -11.811 1.00 0.00 H new ATOM 323 N LEU A 21 -4.425 -0.399 -7.240 1.00 0.00 N ATOM 324 CA LEU A 21 -3.440 -1.032 -6.328 1.00 0.00 C ATOM 325 C LEU A 21 -2.109 -1.251 -7.049 1.00 0.00 C ATOM 326 O LEU A 21 -2.033 -1.232 -8.261 1.00 0.00 O ATOM 327 CB LEU A 21 -4.076 -2.360 -5.927 1.00 0.00 C ATOM 328 CG LEU A 21 -4.798 -2.199 -4.583 1.00 0.00 C ATOM 329 CD1 LEU A 21 -5.748 -0.997 -4.632 1.00 0.00 C ATOM 330 CD2 LEU A 21 -5.606 -3.462 -4.297 1.00 0.00 C ATOM 0 H LEU A 21 -4.592 -0.895 -8.116 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.218 -0.412 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.780 -2.684 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.311 -3.133 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.059 -2.038 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.254 -0.894 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.179 -0.091 -4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.488 -1.150 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.122 -3.355 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.338 -3.613 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.936 -4.320 -4.253 1.00 0.00 H new ATOM 342 N MET A 22 -1.059 -1.428 -6.303 1.00 0.00 N ATOM 343 CA MET A 22 0.281 -1.614 -6.916 1.00 0.00 C ATOM 344 C MET A 22 0.945 -2.881 -6.375 1.00 0.00 C ATOM 345 O MET A 22 0.424 -3.548 -5.508 1.00 0.00 O ATOM 346 CB MET A 22 1.097 -0.360 -6.522 1.00 0.00 C ATOM 347 CG MET A 22 0.195 0.695 -5.856 1.00 0.00 C ATOM 348 SD MET A 22 1.119 2.228 -5.595 1.00 0.00 S ATOM 349 CE MET A 22 -0.297 3.272 -5.171 1.00 0.00 C ATOM 0 H MET A 22 -1.072 -1.452 -5.283 1.00 0.00 H new ATOM 0 HA MET A 22 0.218 -1.728 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.898 -0.642 -5.839 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.568 0.066 -7.408 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.676 0.888 -6.483 1.00 0.00 H new ATOM 0 HG3 MET A 22 -0.176 0.318 -4.903 1.00 0.00 H new ATOM 0 HE1 MET A 22 0.038 4.109 -4.558 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.755 3.652 -6.084 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.028 2.685 -4.615 1.00 0.00 H new ATOM 359 N VAL A 23 2.092 -3.217 -6.891 1.00 0.00 N ATOM 360 CA VAL A 23 2.797 -4.441 -6.415 1.00 0.00 C ATOM 361 C VAL A 23 4.277 -4.132 -6.199 1.00 0.00 C ATOM 362 O VAL A 23 4.838 -3.261 -6.835 1.00 0.00 O ATOM 363 CB VAL A 23 2.623 -5.466 -7.536 1.00 0.00 C ATOM 364 CG1 VAL A 23 3.523 -6.673 -7.267 1.00 0.00 C ATOM 365 CG2 VAL A 23 1.163 -5.922 -7.587 1.00 0.00 C ATOM 0 H VAL A 23 2.574 -2.697 -7.624 1.00 0.00 H new ATOM 0 HA VAL A 23 2.400 -4.808 -5.468 1.00 0.00 H new ATOM 0 HB VAL A 23 2.897 -5.013 -8.489 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.399 -7.404 -8.066 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.563 -6.350 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.249 -7.126 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.038 -6.653 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.890 -6.376 -6.634 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.520 -5.063 -7.777 1.00 0.00 H new ATOM 375 N ASN A 24 4.917 -4.832 -5.308 1.00 0.00 N ATOM 376 CA ASN A 24 6.363 -4.565 -5.061 1.00 0.00 C ATOM 377 C ASN A 24 7.207 -5.780 -5.438 1.00 0.00 C ATOM 378 O ASN A 24 6.699 -6.831 -5.771 1.00 0.00 O ATOM 379 CB ASN A 24 6.502 -4.276 -3.560 1.00 0.00 C ATOM 380 CG ASN A 24 5.460 -5.065 -2.760 1.00 0.00 C ATOM 381 OD1 ASN A 24 5.066 -6.147 -3.151 1.00 0.00 O ATOM 382 ND2 ASN A 24 4.995 -4.565 -1.647 1.00 0.00 N ATOM 0 H ASN A 24 4.506 -5.574 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 24 6.711 -3.726 -5.664 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.504 -4.542 -3.224 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.377 -3.209 -3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.302 -5.082 -1.106 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.325 -3.658 -1.318 1.00 0.00 H new ATOM 389 N VAL A 25 8.496 -5.631 -5.380 1.00 0.00 N ATOM 390 CA VAL A 25 9.408 -6.754 -5.718 1.00 0.00 C ATOM 391 C VAL A 25 8.878 -8.077 -5.146 1.00 0.00 C ATOM 392 O VAL A 25 8.701 -9.042 -5.863 1.00 0.00 O ATOM 393 CB VAL A 25 10.746 -6.372 -5.077 1.00 0.00 C ATOM 394 CG1 VAL A 25 10.525 -5.846 -3.653 1.00 0.00 C ATOM 395 CG2 VAL A 25 11.645 -7.601 -5.018 1.00 0.00 C ATOM 0 H VAL A 25 8.964 -4.766 -5.109 1.00 0.00 H new ATOM 0 HA VAL A 25 9.498 -6.906 -6.794 1.00 0.00 H new ATOM 0 HB VAL A 25 11.214 -5.592 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.485 -5.579 -3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 25 9.883 -4.966 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.050 -6.619 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.598 -7.333 -4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.163 -8.376 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 25 11.818 -7.974 -6.027 1.00 0.00 H new ATOM 405 N CYS A 26 8.620 -8.133 -3.866 1.00 0.00 N ATOM 406 CA CYS A 26 8.102 -9.398 -3.267 1.00 0.00 C ATOM 407 C CYS A 26 6.792 -9.799 -3.949 1.00 0.00 C ATOM 408 O CYS A 26 6.373 -10.939 -3.896 1.00 0.00 O ATOM 409 CB CYS A 26 7.862 -9.075 -1.789 1.00 0.00 C ATOM 410 SG CYS A 26 6.401 -8.015 -1.623 1.00 0.00 S ATOM 0 H CYS A 26 8.745 -7.361 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 26 8.797 -10.229 -3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.720 -9.996 -1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.735 -8.575 -1.370 1.00 0.00 H new ATOM 415 N GLY A 27 6.142 -8.865 -4.583 1.00 0.00 N ATOM 416 CA GLY A 27 4.855 -9.176 -5.262 1.00 0.00 C ATOM 417 C GLY A 27 3.703 -8.628 -4.420 1.00 0.00 C ATOM 418 O GLY A 27 3.477 -7.435 -4.363 1.00 0.00 O ATOM 0 H GLY A 27 6.448 -7.895 -4.660 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.838 -8.733 -6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.748 -10.253 -5.391 1.00 0.00 H new ATOM 422 N HIS A 28 2.977 -9.489 -3.761 1.00 0.00 N ATOM 423 CA HIS A 28 1.841 -9.025 -2.915 1.00 0.00 C ATOM 424 C HIS A 28 1.075 -7.897 -3.622 1.00 0.00 C ATOM 425 O HIS A 28 0.761 -8.001 -4.791 1.00 0.00 O ATOM 426 CB HIS A 28 2.493 -8.565 -1.605 1.00 0.00 C ATOM 427 CG HIS A 28 2.898 -9.795 -0.839 1.00 0.00 C ATOM 428 ND1 HIS A 28 3.919 -9.826 0.124 1.00 0.00 N ATOM 429 CD2 HIS A 28 2.405 -11.074 -0.904 1.00 0.00 C ATOM 430 CE1 HIS A 28 3.982 -11.102 0.569 1.00 0.00 C ATOM 431 NE2 HIS A 28 3.087 -11.890 -0.020 1.00 0.00 N ATOM 0 H HIS A 28 3.123 -10.499 -3.772 1.00 0.00 H new ATOM 0 HA HIS A 28 1.100 -9.803 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 28 3.361 -7.939 -1.809 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.796 -7.963 -1.022 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.602 -11.396 -1.551 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.681 -11.443 1.319 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.936 -12.885 0.145 1.00 0.00 H new ATOM 439 N THR A 29 0.754 -6.832 -2.937 1.00 0.00 N ATOM 440 CA THR A 29 -0.004 -5.734 -3.599 1.00 0.00 C ATOM 441 C THR A 29 -0.257 -4.598 -2.606 1.00 0.00 C ATOM 442 O THR A 29 -0.530 -4.822 -1.443 1.00 0.00 O ATOM 443 CB THR A 29 -1.318 -6.396 -4.033 1.00 0.00 C ATOM 444 OG1 THR A 29 -1.187 -6.864 -5.368 1.00 0.00 O ATOM 445 CG2 THR A 29 -2.485 -5.398 -3.958 1.00 0.00 C ATOM 0 H THR A 29 0.982 -6.676 -1.955 1.00 0.00 H new ATOM 0 HA THR A 29 0.529 -5.291 -4.441 1.00 0.00 H new ATOM 0 HB THR A 29 -1.528 -7.227 -3.360 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.551 -7.609 -5.393 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.406 -5.891 -4.270 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.594 -5.042 -2.934 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.284 -4.553 -4.617 1.00 0.00 H new ATOM 453 N LEU A 30 -0.175 -3.381 -3.061 1.00 0.00 N ATOM 454 CA LEU A 30 -0.418 -2.226 -2.156 1.00 0.00 C ATOM 455 C LEU A 30 -1.445 -1.301 -2.766 1.00 0.00 C ATOM 456 O LEU A 30 -1.439 -1.051 -3.945 1.00 0.00 O ATOM 457 CB LEU A 30 0.913 -1.499 -2.060 1.00 0.00 C ATOM 458 CG LEU A 30 1.495 -1.682 -0.669 1.00 0.00 C ATOM 459 CD1 LEU A 30 1.314 -3.132 -0.215 1.00 0.00 C ATOM 460 CD2 LEU A 30 2.986 -1.362 -0.691 1.00 0.00 C ATOM 0 H LEU A 30 0.051 -3.135 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.787 -2.548 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.605 -1.886 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.776 -0.438 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 30 0.978 -1.012 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.734 -3.256 0.783 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.252 -3.377 -0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.827 -3.797 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.401 -1.494 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.492 -2.033 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.132 -0.330 -1.011 1.00 0.00 H new ATOM 472 N CYS A 31 -2.318 -0.772 -1.985 1.00 0.00 N ATOM 473 CA CYS A 31 -3.312 0.142 -2.571 1.00 0.00 C ATOM 474 C CYS A 31 -2.818 1.576 -2.487 1.00 0.00 C ATOM 475 O CYS A 31 -1.706 1.847 -2.080 1.00 0.00 O ATOM 476 CB CYS A 31 -4.584 -0.067 -1.749 1.00 0.00 C ATOM 477 SG CYS A 31 -4.752 1.171 -0.426 1.00 0.00 S ATOM 0 H CYS A 31 -2.390 -0.927 -0.979 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.492 -0.057 -3.628 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.452 -0.016 -2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.573 -1.065 -1.312 1.00 0.00 H new ATOM 482 N GLU A 32 -3.656 2.491 -2.840 1.00 0.00 N ATOM 483 CA GLU A 32 -3.239 3.926 -2.742 1.00 0.00 C ATOM 484 C GLU A 32 -3.047 4.253 -1.259 1.00 0.00 C ATOM 485 O GLU A 32 -2.026 4.759 -0.840 1.00 0.00 O ATOM 486 CB GLU A 32 -4.347 4.806 -3.346 1.00 0.00 C ATOM 487 CG GLU A 32 -5.696 4.114 -3.283 1.00 0.00 C ATOM 488 CD GLU A 32 -5.800 3.171 -4.472 1.00 0.00 C ATOM 489 OE1 GLU A 32 -5.235 3.493 -5.502 1.00 0.00 O ATOM 490 OE2 GLU A 32 -6.411 2.125 -4.320 1.00 0.00 O ATOM 0 H GLU A 32 -4.600 2.326 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.312 4.109 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.396 5.753 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.104 5.040 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.797 3.561 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.502 4.848 -3.308 1.00 0.00 H new ATOM 497 N SER A 33 -4.042 3.949 -0.467 1.00 0.00 N ATOM 498 CA SER A 33 -3.969 4.210 0.999 1.00 0.00 C ATOM 499 C SER A 33 -2.872 3.367 1.664 1.00 0.00 C ATOM 500 O SER A 33 -2.505 3.616 2.794 1.00 0.00 O ATOM 501 CB SER A 33 -5.346 3.824 1.554 1.00 0.00 C ATOM 502 OG SER A 33 -6.322 4.724 1.049 1.00 0.00 O ATOM 0 H SER A 33 -4.915 3.524 -0.780 1.00 0.00 H new ATOM 0 HA SER A 33 -3.721 5.252 1.200 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.593 2.802 1.267 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.334 3.855 2.643 1.00 0.00 H new ATOM 0 HG SER A 33 -7.048 4.818 1.700 1.00 0.00 H new ATOM 508 N CYS A 34 -2.318 2.386 0.991 1.00 0.00 N ATOM 509 CA CYS A 34 -1.233 1.599 1.647 1.00 0.00 C ATOM 510 C CYS A 34 0.081 2.305 1.390 1.00 0.00 C ATOM 511 O CYS A 34 0.669 2.917 2.259 1.00 0.00 O ATOM 512 CB CYS A 34 -1.186 0.232 0.970 1.00 0.00 C ATOM 513 SG CYS A 34 -2.415 -0.878 1.680 1.00 0.00 S ATOM 0 H CYS A 34 -2.563 2.104 0.042 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.408 1.499 2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.366 0.345 -0.099 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.192 -0.200 1.082 1.00 0.00 H new ATOM 518 N VAL A 35 0.522 2.227 0.173 1.00 0.00 N ATOM 519 CA VAL A 35 1.780 2.888 -0.226 1.00 0.00 C ATOM 520 C VAL A 35 1.886 4.256 0.458 1.00 0.00 C ATOM 521 O VAL A 35 2.965 4.747 0.726 1.00 0.00 O ATOM 522 CB VAL A 35 1.630 3.025 -1.740 1.00 0.00 C ATOM 523 CG1 VAL A 35 2.566 4.102 -2.263 1.00 0.00 C ATOM 524 CG2 VAL A 35 1.962 1.692 -2.408 1.00 0.00 C ATOM 0 H VAL A 35 0.051 1.721 -0.577 1.00 0.00 H new ATOM 0 HA VAL A 35 2.681 2.342 0.055 1.00 0.00 H new ATOM 0 HB VAL A 35 0.602 3.305 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.451 4.191 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.323 5.055 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.596 3.834 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.855 1.790 -3.488 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.988 1.411 -2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.281 0.923 -2.044 1.00 0.00 H new ATOM 534 N ASP A 36 0.766 4.873 0.744 1.00 0.00 N ATOM 535 CA ASP A 36 0.795 6.208 1.408 1.00 0.00 C ATOM 536 C ASP A 36 1.176 6.070 2.891 1.00 0.00 C ATOM 537 O ASP A 36 2.067 6.733 3.359 1.00 0.00 O ATOM 538 CB ASP A 36 -0.626 6.778 1.218 1.00 0.00 C ATOM 539 CG ASP A 36 -1.389 6.840 2.550 1.00 0.00 C ATOM 540 OD1 ASP A 36 -1.768 5.792 3.042 1.00 0.00 O ATOM 541 OD2 ASP A 36 -1.578 7.937 3.049 1.00 0.00 O ATOM 0 H ASP A 36 -0.166 4.508 0.545 1.00 0.00 H new ATOM 0 HA ASP A 36 1.544 6.874 0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.564 7.777 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.176 6.158 0.510 1.00 0.00 H new ATOM 546 N LEU A 37 0.515 5.227 3.636 1.00 0.00 N ATOM 547 CA LEU A 37 0.877 5.090 5.079 1.00 0.00 C ATOM 548 C LEU A 37 1.984 4.050 5.253 1.00 0.00 C ATOM 549 O LEU A 37 2.903 4.223 6.024 1.00 0.00 O ATOM 550 CB LEU A 37 -0.407 4.628 5.770 1.00 0.00 C ATOM 551 CG LEU A 37 -0.921 5.736 6.690 1.00 0.00 C ATOM 552 CD1 LEU A 37 0.136 6.055 7.747 1.00 0.00 C ATOM 553 CD2 LEU A 37 -1.209 6.990 5.863 1.00 0.00 C ATOM 0 H LEU A 37 -0.250 4.634 3.316 1.00 0.00 H new ATOM 0 HA LEU A 37 1.252 6.024 5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.163 4.379 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.217 3.722 6.346 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.836 5.405 7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.231 6.845 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.343 5.162 8.336 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.052 6.386 7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.576 7.781 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.294 7.320 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.963 6.764 5.110 1.00 0.00 H new ATOM 565 N LEU A 38 1.883 2.972 4.541 1.00 0.00 N ATOM 566 CA LEU A 38 2.896 1.884 4.638 1.00 0.00 C ATOM 567 C LEU A 38 4.333 2.425 4.675 1.00 0.00 C ATOM 568 O LEU A 38 5.089 2.135 5.580 1.00 0.00 O ATOM 569 CB LEU A 38 2.676 1.076 3.355 1.00 0.00 C ATOM 570 CG LEU A 38 3.439 -0.255 3.406 1.00 0.00 C ATOM 571 CD1 LEU A 38 4.948 -0.011 3.451 1.00 0.00 C ATOM 572 CD2 LEU A 38 3.027 -1.024 4.657 1.00 0.00 C ATOM 0 H LEU A 38 1.127 2.791 3.881 1.00 0.00 H new ATOM 0 HA LEU A 38 2.779 1.305 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.612 0.884 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.007 1.657 2.494 1.00 0.00 H new ATOM 0 HG LEU A 38 3.198 -0.828 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.470 -0.967 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.255 0.537 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.196 0.571 4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.567 -1.970 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.264 -0.433 5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.955 -1.219 4.628 1.00 0.00 H new ATOM 584 N PHE A 39 4.734 3.144 3.664 1.00 0.00 N ATOM 585 CA PHE A 39 6.147 3.630 3.602 1.00 0.00 C ATOM 586 C PHE A 39 6.366 4.993 4.270 1.00 0.00 C ATOM 587 O PHE A 39 7.478 5.330 4.623 1.00 0.00 O ATOM 588 CB PHE A 39 6.450 3.683 2.105 1.00 0.00 C ATOM 589 CG PHE A 39 6.105 2.335 1.520 1.00 0.00 C ATOM 590 CD1 PHE A 39 4.796 2.071 1.105 1.00 0.00 C ATOM 591 CD2 PHE A 39 7.081 1.333 1.440 1.00 0.00 C ATOM 592 CE1 PHE A 39 4.456 0.809 0.613 1.00 0.00 C ATOM 593 CE2 PHE A 39 6.747 0.067 0.936 1.00 0.00 C ATOM 594 CZ PHE A 39 5.432 -0.198 0.526 1.00 0.00 C ATOM 0 H PHE A 39 4.147 3.418 2.876 1.00 0.00 H new ATOM 0 HA PHE A 39 6.813 2.969 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.868 4.469 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.501 3.916 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.046 2.845 1.165 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.090 1.535 1.766 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.443 0.607 0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 39 7.501 -0.702 0.864 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.170 -1.174 0.144 1.00 0.00 H new ATOM 604 N VAL A 40 5.354 5.790 4.456 1.00 0.00 N ATOM 605 CA VAL A 40 5.618 7.113 5.110 1.00 0.00 C ATOM 606 C VAL A 40 6.089 6.898 6.549 1.00 0.00 C ATOM 607 O VAL A 40 6.653 7.780 7.165 1.00 0.00 O ATOM 608 CB VAL A 40 4.310 7.896 5.082 1.00 0.00 C ATOM 609 CG1 VAL A 40 3.980 8.287 3.642 1.00 0.00 C ATOM 610 CG2 VAL A 40 3.188 7.047 5.678 1.00 0.00 C ATOM 0 H VAL A 40 4.386 5.600 4.197 1.00 0.00 H new ATOM 0 HA VAL A 40 6.400 7.662 4.586 1.00 0.00 H new ATOM 0 HB VAL A 40 4.413 8.803 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.045 8.847 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.782 8.906 3.240 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.877 7.387 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.255 7.610 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.074 6.133 5.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.433 6.791 6.709 1.00 0.00 H new ATOM 620 N ARG A 41 5.875 5.727 7.086 1.00 0.00 N ATOM 621 CA ARG A 41 6.330 5.458 8.484 1.00 0.00 C ATOM 622 C ARG A 41 7.782 4.977 8.460 1.00 0.00 C ATOM 623 O ARG A 41 8.372 4.699 9.486 1.00 0.00 O ATOM 624 CB ARG A 41 5.423 4.349 9.042 1.00 0.00 C ATOM 625 CG ARG A 41 4.067 4.331 8.328 1.00 0.00 C ATOM 626 CD ARG A 41 2.957 4.046 9.343 1.00 0.00 C ATOM 627 NE ARG A 41 3.445 2.880 10.129 1.00 0.00 N ATOM 628 CZ ARG A 41 3.262 1.668 9.682 1.00 0.00 C ATOM 629 NH1 ARG A 41 4.130 1.134 8.867 1.00 0.00 N ATOM 630 NH2 ARG A 41 2.211 0.988 10.051 1.00 0.00 N ATOM 0 H ARG A 41 5.408 4.948 6.622 1.00 0.00 H new ATOM 0 HA ARG A 41 6.273 6.355 9.101 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.912 3.382 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.272 4.502 10.111 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.889 5.289 7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.065 3.569 7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.778 4.908 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.015 3.819 8.844 1.00 0.00 H new ATOM 0 HE ARG A 41 3.923 3.029 11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.952 1.664 8.579 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.986 0.186 8.518 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.533 1.404 10.689 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.068 0.040 9.701 1.00 0.00 H new ATOM 644 N GLY A 42 8.361 4.872 7.294 1.00 0.00 N ATOM 645 CA GLY A 42 9.771 4.405 7.202 1.00 0.00 C ATOM 646 C GLY A 42 10.077 3.959 5.769 1.00 0.00 C ATOM 647 O GLY A 42 11.212 3.975 5.338 1.00 0.00 O ATOM 0 H GLY A 42 7.917 5.090 6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.449 5.206 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.936 3.578 7.893 1.00 0.00 H new ATOM 651 N ALA A 43 9.077 3.564 5.021 1.00 0.00 N ATOM 652 CA ALA A 43 9.333 3.124 3.616 1.00 0.00 C ATOM 653 C ALA A 43 10.381 2.007 3.593 1.00 0.00 C ATOM 654 O ALA A 43 11.550 2.234 3.836 1.00 0.00 O ATOM 655 CB ALA A 43 9.863 4.370 2.905 1.00 0.00 C ATOM 0 H ALA A 43 8.102 3.527 5.320 1.00 0.00 H new ATOM 0 HA ALA A 43 8.438 2.728 3.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.077 4.131 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.114 5.161 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.777 4.707 3.395 1.00 0.00 H new ATOM 661 N GLY A 44 9.975 0.803 3.296 1.00 0.00 N ATOM 662 CA GLY A 44 10.951 -0.320 3.253 1.00 0.00 C ATOM 663 C GLY A 44 10.416 -1.505 4.060 1.00 0.00 C ATOM 664 O GLY A 44 11.173 -2.260 4.635 1.00 0.00 O ATOM 0 H GLY A 44 9.011 0.549 3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.127 -0.622 2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.910 0.004 3.658 1.00 0.00 H new ATOM 668 N ASN A 45 9.121 -1.675 4.109 1.00 0.00 N ATOM 669 CA ASN A 45 8.552 -2.816 4.886 1.00 0.00 C ATOM 670 C ASN A 45 7.159 -3.183 4.372 1.00 0.00 C ATOM 671 O ASN A 45 6.163 -2.632 4.799 1.00 0.00 O ATOM 672 CB ASN A 45 8.465 -2.313 6.324 1.00 0.00 C ATOM 673 CG ASN A 45 9.488 -3.044 7.195 1.00 0.00 C ATOM 674 OD1 ASN A 45 9.259 -3.260 8.369 1.00 0.00 O ATOM 675 ND2 ASN A 45 10.616 -3.439 6.670 1.00 0.00 N ATOM 0 H ASN A 45 8.436 -1.077 3.647 1.00 0.00 H new ATOM 0 HA ASN A 45 9.167 -3.711 4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.650 -1.239 6.354 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.460 -2.475 6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.303 -3.928 7.245 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.811 -3.259 5.685 1.00 0.00 H new ATOM 682 N CYS A 46 7.086 -4.123 3.475 1.00 0.00 N ATOM 683 CA CYS A 46 5.760 -4.557 2.940 1.00 0.00 C ATOM 684 C CYS A 46 4.743 -4.627 4.080 1.00 0.00 C ATOM 685 O CYS A 46 5.064 -5.053 5.172 1.00 0.00 O ATOM 686 CB CYS A 46 6.024 -5.954 2.378 1.00 0.00 C ATOM 687 SG CYS A 46 4.644 -6.530 1.345 1.00 0.00 S ATOM 0 H CYS A 46 7.890 -4.615 3.085 1.00 0.00 H new ATOM 0 HA CYS A 46 5.358 -3.875 2.191 1.00 0.00 H new ATOM 0 HB2 CYS A 46 6.941 -5.943 1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.182 -6.653 3.199 1.00 0.00 H new ATOM 692 N PRO A 47 3.548 -4.209 3.785 1.00 0.00 N ATOM 693 CA PRO A 47 2.461 -4.227 4.797 1.00 0.00 C ATOM 694 C PRO A 47 2.125 -5.660 5.202 1.00 0.00 C ATOM 695 O PRO A 47 1.378 -5.895 6.130 1.00 0.00 O ATOM 696 CB PRO A 47 1.298 -3.556 4.071 1.00 0.00 C ATOM 697 CG PRO A 47 1.592 -3.739 2.624 1.00 0.00 C ATOM 698 CD PRO A 47 3.090 -3.691 2.494 1.00 0.00 C ATOM 0 HA PRO A 47 2.722 -3.720 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.347 -4.014 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.228 -2.499 4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.200 -4.690 2.264 1.00 0.00 H new ATOM 0 HG3 PRO A 47 1.124 -2.955 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.443 -4.304 1.665 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.448 -2.677 2.316 1.00 0.00 H new ATOM 706 N GLU A 48 2.668 -6.616 4.510 1.00 0.00 N ATOM 707 CA GLU A 48 2.376 -8.037 4.857 1.00 0.00 C ATOM 708 C GLU A 48 3.668 -8.865 5.009 1.00 0.00 C ATOM 709 O GLU A 48 3.696 -9.830 5.746 1.00 0.00 O ATOM 710 CB GLU A 48 1.529 -8.549 3.697 1.00 0.00 C ATOM 711 CG GLU A 48 2.418 -8.834 2.491 1.00 0.00 C ATOM 712 CD GLU A 48 1.738 -8.296 1.236 1.00 0.00 C ATOM 713 OE1 GLU A 48 0.951 -9.024 0.654 1.00 0.00 O ATOM 714 OE2 GLU A 48 2.012 -7.163 0.880 1.00 0.00 O ATOM 0 H GLU A 48 3.300 -6.480 3.721 1.00 0.00 H new ATOM 0 HA GLU A 48 1.864 -8.123 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.001 -9.456 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.771 -7.810 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.393 -8.364 2.622 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.591 -9.906 2.396 1.00 0.00 H new ATOM 721 N CYS A 49 4.734 -8.513 4.332 1.00 0.00 N ATOM 722 CA CYS A 49 5.989 -9.310 4.474 1.00 0.00 C ATOM 723 C CYS A 49 7.201 -8.381 4.614 1.00 0.00 C ATOM 724 O CYS A 49 8.265 -8.659 4.103 1.00 0.00 O ATOM 725 CB CYS A 49 6.049 -10.186 3.209 1.00 0.00 C ATOM 726 SG CYS A 49 6.940 -9.368 1.847 1.00 0.00 S ATOM 0 H CYS A 49 4.789 -7.718 3.695 1.00 0.00 H new ATOM 0 HA CYS A 49 6.001 -9.930 5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.539 -11.130 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.036 -10.425 2.886 1.00 0.00 H new ATOM 731 N GLY A 50 7.019 -7.289 5.330 1.00 0.00 N ATOM 732 CA GLY A 50 8.110 -6.283 5.573 1.00 0.00 C ATOM 733 C GLY A 50 9.439 -6.721 4.957 1.00 0.00 C ATOM 734 O GLY A 50 10.359 -7.111 5.649 1.00 0.00 O ATOM 0 H GLY A 50 6.130 -7.048 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.816 -5.321 5.154 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.238 -6.138 6.646 1.00 0.00 H new ATOM 738 N THR A 51 9.551 -6.649 3.661 1.00 0.00 N ATOM 739 CA THR A 51 10.823 -7.051 3.000 1.00 0.00 C ATOM 740 C THR A 51 11.842 -5.914 3.116 1.00 0.00 C ATOM 741 O THR A 51 11.471 -4.763 3.228 1.00 0.00 O ATOM 742 CB THR A 51 10.442 -7.297 1.537 1.00 0.00 C ATOM 743 OG1 THR A 51 11.495 -7.988 0.881 1.00 0.00 O ATOM 744 CG2 THR A 51 10.196 -5.958 0.839 1.00 0.00 C ATOM 0 H THR A 51 8.816 -6.329 3.030 1.00 0.00 H new ATOM 0 HA THR A 51 11.276 -7.934 3.451 1.00 0.00 H new ATOM 0 HB THR A 51 9.534 -7.898 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.249 -8.146 -0.054 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.925 -6.135 -0.202 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.385 -5.430 1.340 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.102 -5.354 0.880 1.00 0.00 H new ATOM 752 N PRO A 52 13.097 -6.271 3.084 1.00 0.00 N ATOM 753 CA PRO A 52 14.174 -5.255 3.187 1.00 0.00 C ATOM 754 C PRO A 52 14.192 -4.383 1.932 1.00 0.00 C ATOM 755 O PRO A 52 15.037 -4.530 1.071 1.00 0.00 O ATOM 756 CB PRO A 52 15.446 -6.092 3.304 1.00 0.00 C ATOM 757 CG PRO A 52 15.098 -7.404 2.678 1.00 0.00 C ATOM 758 CD PRO A 52 13.633 -7.630 2.945 1.00 0.00 C ATOM 0 HA PRO A 52 14.051 -4.572 4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 52 16.281 -5.617 2.789 1.00 0.00 H new ATOM 0 HB3 PRO A 52 15.743 -6.217 4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 52 15.299 -7.388 1.607 1.00 0.00 H new ATOM 0 HG3 PRO A 52 15.698 -8.208 3.103 1.00 0.00 H new ATOM 0 HD2 PRO A 52 13.154 -8.169 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 52 13.476 -8.218 3.849 1.00 0.00 H new ATOM 766 N LEU A 53 13.259 -3.477 1.822 1.00 0.00 N ATOM 767 CA LEU A 53 13.209 -2.595 0.624 1.00 0.00 C ATOM 768 C LEU A 53 14.159 -1.405 0.805 1.00 0.00 C ATOM 769 O LEU A 53 15.173 -1.303 0.144 1.00 0.00 O ATOM 770 CB LEU A 53 11.756 -2.129 0.558 1.00 0.00 C ATOM 771 CG LEU A 53 11.014 -2.921 -0.517 1.00 0.00 C ATOM 772 CD1 LEU A 53 9.547 -2.491 -0.542 1.00 0.00 C ATOM 773 CD2 LEU A 53 11.652 -2.643 -1.880 1.00 0.00 C ATOM 0 H LEU A 53 12.528 -3.310 2.513 1.00 0.00 H new ATOM 0 HA LEU A 53 13.519 -3.102 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.274 -2.269 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.715 -1.063 0.333 1.00 0.00 H new ATOM 0 HG LEU A 53 11.076 -3.987 -0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.016 -3.055 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.094 -2.685 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.484 -1.426 -0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.125 -3.207 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.587 -1.578 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.699 -2.946 -1.860 1.00 0.00 H new ATOM 785 N ARG A 54 13.841 -0.510 1.701 1.00 0.00 N ATOM 786 CA ARG A 54 14.726 0.669 1.935 1.00 0.00 C ATOM 787 C ARG A 54 14.670 1.631 0.738 1.00 0.00 C ATOM 788 O ARG A 54 15.360 2.630 0.703 1.00 0.00 O ATOM 789 CB ARG A 54 16.136 0.070 2.134 1.00 0.00 C ATOM 790 CG ARG A 54 17.085 0.489 1.002 1.00 0.00 C ATOM 791 CD ARG A 54 18.470 -0.121 1.239 1.00 0.00 C ATOM 792 NE ARG A 54 18.229 -1.586 1.364 1.00 0.00 N ATOM 793 CZ ARG A 54 18.533 -2.383 0.377 1.00 0.00 C ATOM 794 NH1 ARG A 54 19.782 -2.553 0.036 1.00 0.00 N ATOM 795 NH2 ARG A 54 17.589 -3.013 -0.270 1.00 0.00 N ATOM 0 H ARG A 54 13.004 -0.544 2.283 1.00 0.00 H new ATOM 0 HA ARG A 54 14.422 1.260 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.541 0.398 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.070 -1.017 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.690 0.157 0.042 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.158 1.576 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.145 0.099 0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.930 0.282 2.141 1.00 0.00 H new ATOM 0 HE ARG A 54 17.826 -1.966 2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.520 -2.063 0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.020 -3.176 -0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.613 -2.882 -0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.828 -3.636 -1.042 1.00 0.00 H new ATOM 809 N LYS A 55 13.861 1.338 -0.244 1.00 0.00 N ATOM 810 CA LYS A 55 13.781 2.242 -1.428 1.00 0.00 C ATOM 811 C LYS A 55 12.326 2.447 -1.858 1.00 0.00 C ATOM 812 O LYS A 55 12.047 3.149 -2.808 1.00 0.00 O ATOM 813 CB LYS A 55 14.566 1.522 -2.528 1.00 0.00 C ATOM 814 CG LYS A 55 13.963 0.135 -2.765 1.00 0.00 C ATOM 815 CD LYS A 55 12.680 0.267 -3.591 1.00 0.00 C ATOM 816 CE LYS A 55 12.790 -0.596 -4.849 1.00 0.00 C ATOM 817 NZ LYS A 55 12.795 -2.001 -4.353 1.00 0.00 N ATOM 0 H LYS A 55 13.256 0.518 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 55 14.184 3.231 -1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.538 2.104 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.613 1.430 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.679 -0.500 -3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.746 -0.346 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.820 -0.044 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.518 1.309 -3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.953 -0.419 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.700 -0.370 -5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.319 -2.603 -5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.253 -2.038 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.817 -2.344 -4.272 1.00 0.00 H new ATOM 831 N SER A 56 11.395 1.840 -1.172 1.00 0.00 N ATOM 832 CA SER A 56 9.965 2.006 -1.558 1.00 0.00 C ATOM 833 C SER A 56 9.745 1.485 -2.982 1.00 0.00 C ATOM 834 O SER A 56 10.491 1.794 -3.889 1.00 0.00 O ATOM 835 CB SER A 56 9.708 3.512 -1.483 1.00 0.00 C ATOM 836 OG SER A 56 9.164 3.962 -2.716 1.00 0.00 O ATOM 0 H SER A 56 11.562 1.239 -0.365 1.00 0.00 H new ATOM 0 HA SER A 56 9.289 1.449 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.020 3.734 -0.667 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.637 4.040 -1.269 1.00 0.00 H new ATOM 0 HG SER A 56 8.294 3.536 -2.864 1.00 0.00 H new ATOM 842 N ASN A 57 8.729 0.692 -3.185 1.00 0.00 N ATOM 843 CA ASN A 57 8.465 0.148 -4.550 1.00 0.00 C ATOM 844 C ASN A 57 6.991 -0.246 -4.678 1.00 0.00 C ATOM 845 O ASN A 57 6.474 -1.014 -3.892 1.00 0.00 O ATOM 846 CB ASN A 57 9.361 -1.086 -4.653 1.00 0.00 C ATOM 847 CG ASN A 57 8.989 -2.071 -3.550 1.00 0.00 C ATOM 848 OD1 ASN A 57 8.280 -1.729 -2.626 1.00 0.00 O ATOM 849 ND2 ASN A 57 9.443 -3.289 -3.609 1.00 0.00 N ATOM 0 H ASN A 57 8.069 0.396 -2.465 1.00 0.00 H new ATOM 0 HA ASN A 57 8.671 0.872 -5.339 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.243 -1.555 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.408 -0.798 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.203 -3.959 -2.878 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.039 -3.574 -4.386 1.00 0.00 H new ATOM 856 N PHE A 58 6.304 0.276 -5.657 1.00 0.00 N ATOM 857 CA PHE A 58 4.861 -0.077 -5.809 1.00 0.00 C ATOM 858 C PHE A 58 4.399 0.191 -7.246 1.00 0.00 C ATOM 859 O PHE A 58 4.132 1.315 -7.621 1.00 0.00 O ATOM 860 CB PHE A 58 4.076 0.828 -4.832 1.00 0.00 C ATOM 861 CG PHE A 58 5.006 1.585 -3.916 1.00 0.00 C ATOM 862 CD1 PHE A 58 5.707 2.701 -4.388 1.00 0.00 C ATOM 863 CD2 PHE A 58 5.158 1.170 -2.594 1.00 0.00 C ATOM 864 CE1 PHE A 58 6.562 3.400 -3.528 1.00 0.00 C ATOM 865 CE2 PHE A 58 6.007 1.869 -1.741 1.00 0.00 C ATOM 866 CZ PHE A 58 6.710 2.980 -2.201 1.00 0.00 C ATOM 0 H PHE A 58 6.673 0.925 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 58 4.695 -1.132 -5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.466 1.533 -5.397 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.394 0.220 -4.238 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.588 3.022 -5.412 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.618 0.308 -2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.106 4.261 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.121 1.548 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.369 3.517 -1.534 1.00 0.00 H new ATOM 876 N ARG A 59 4.272 -0.835 -8.044 1.00 0.00 N ATOM 877 CA ARG A 59 3.791 -0.626 -9.449 1.00 0.00 C ATOM 878 C ARG A 59 2.266 -0.708 -9.445 1.00 0.00 C ATOM 879 O ARG A 59 1.693 -1.769 -9.313 1.00 0.00 O ATOM 880 CB ARG A 59 4.406 -1.742 -10.311 1.00 0.00 C ATOM 881 CG ARG A 59 4.565 -3.037 -9.505 1.00 0.00 C ATOM 882 CD ARG A 59 4.786 -4.211 -10.462 1.00 0.00 C ATOM 883 NE ARG A 59 5.630 -5.172 -9.700 1.00 0.00 N ATOM 884 CZ ARG A 59 6.819 -5.486 -10.137 1.00 0.00 C ATOM 885 NH1 ARG A 59 7.716 -4.555 -10.317 1.00 0.00 N ATOM 886 NH2 ARG A 59 7.113 -6.731 -10.392 1.00 0.00 N ATOM 0 H ARG A 59 4.477 -1.802 -7.791 1.00 0.00 H new ATOM 0 HA ARG A 59 4.085 0.344 -9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.773 -1.926 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.378 -1.422 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.408 -2.950 -8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.677 -3.211 -8.898 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.839 -4.664 -10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.283 -3.887 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 59 5.279 -5.585 -8.836 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.488 -3.581 -10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.645 -4.801 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.413 -7.460 -10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.042 -6.976 -10.734 1.00 0.00 H new ATOM 900 N VAL A 60 1.616 0.422 -9.528 1.00 0.00 N ATOM 901 CA VAL A 60 0.121 0.455 -9.450 1.00 0.00 C ATOM 902 C VAL A 60 -0.563 0.245 -10.801 1.00 0.00 C ATOM 903 O VAL A 60 -0.068 0.613 -11.847 1.00 0.00 O ATOM 904 CB VAL A 60 -0.199 1.842 -8.898 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.414 2.913 -9.801 1.00 0.00 C ATOM 906 CG2 VAL A 60 -1.715 2.034 -8.839 1.00 0.00 C ATOM 0 H VAL A 60 2.058 1.333 -9.648 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.250 -0.358 -8.826 1.00 0.00 H new ATOM 0 HB VAL A 60 0.219 1.933 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.183 3.901 -9.403 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.495 2.781 -9.839 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.002 2.821 -10.806 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.941 3.025 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.133 1.938 -9.841 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.153 1.276 -8.189 1.00 0.00 H new ATOM 916 N GLN A 61 -1.723 -0.357 -10.745 1.00 0.00 N ATOM 917 CA GLN A 61 -2.524 -0.636 -11.967 1.00 0.00 C ATOM 918 C GLN A 61 -3.800 -1.380 -11.550 1.00 0.00 C ATOM 919 O GLN A 61 -3.817 -2.075 -10.552 1.00 0.00 O ATOM 920 CB GLN A 61 -1.635 -1.525 -12.838 1.00 0.00 C ATOM 921 CG GLN A 61 -1.248 -2.784 -12.060 1.00 0.00 C ATOM 922 CD GLN A 61 -0.597 -3.791 -13.010 1.00 0.00 C ATOM 923 OE1 GLN A 61 0.462 -3.538 -13.550 1.00 0.00 O ATOM 924 NE2 GLN A 61 -1.190 -4.931 -13.241 1.00 0.00 N ATOM 0 H GLN A 61 -2.157 -0.674 -9.878 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.820 0.265 -12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.161 -1.798 -13.753 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.739 -0.980 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -0.559 -2.529 -11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.131 -3.224 -11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.079 -5.144 -12.788 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.764 -5.608 -13.874 1.00 0.00 H new ATOM 933 N LEU A 62 -4.868 -1.236 -12.287 1.00 0.00 N ATOM 934 CA LEU A 62 -6.134 -1.937 -11.909 1.00 0.00 C ATOM 935 C LEU A 62 -6.863 -2.424 -13.163 1.00 0.00 C ATOM 936 O LEU A 62 -7.300 -1.639 -13.982 1.00 0.00 O ATOM 937 CB LEU A 62 -6.968 -0.879 -11.181 1.00 0.00 C ATOM 938 CG LEU A 62 -7.585 -1.474 -9.907 1.00 0.00 C ATOM 939 CD1 LEU A 62 -6.479 -1.942 -8.960 1.00 0.00 C ATOM 940 CD2 LEU A 62 -8.423 -0.405 -9.203 1.00 0.00 C ATOM 0 H LEU A 62 -4.921 -0.666 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.952 -2.814 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.342 -0.024 -10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.756 -0.511 -11.838 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.213 -2.323 -10.179 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.925 -2.363 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.874 -2.702 -9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.848 -1.095 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.862 -0.825 -8.298 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.787 0.440 -8.939 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.217 -0.068 -9.869 1.00 0.00 H new ATOM 952 N PHE A 63 -6.998 -3.711 -13.321 1.00 0.00 N ATOM 953 CA PHE A 63 -7.700 -4.244 -14.524 1.00 0.00 C ATOM 954 C PHE A 63 -8.579 -5.436 -14.137 1.00 0.00 C ATOM 955 O PHE A 63 -8.882 -6.286 -14.950 1.00 0.00 O ATOM 956 CB PHE A 63 -6.583 -4.684 -15.471 1.00 0.00 C ATOM 957 CG PHE A 63 -6.996 -4.414 -16.897 1.00 0.00 C ATOM 958 CD1 PHE A 63 -8.350 -4.458 -17.254 1.00 0.00 C ATOM 959 CD2 PHE A 63 -6.027 -4.120 -17.863 1.00 0.00 C ATOM 960 CE1 PHE A 63 -8.734 -4.206 -18.576 1.00 0.00 C ATOM 961 CE2 PHE A 63 -6.411 -3.869 -19.186 1.00 0.00 C ATOM 962 CZ PHE A 63 -7.764 -3.912 -19.542 1.00 0.00 C ATOM 0 H PHE A 63 -6.653 -4.417 -12.671 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.355 -3.504 -14.984 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.663 -4.147 -15.240 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.375 -5.745 -15.336 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.098 -4.686 -16.509 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.983 -4.087 -17.588 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.778 -4.238 -18.851 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.663 -3.642 -19.932 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.060 -3.718 -20.562 1.00 0.00 H new ATOM 972 N GLU A 64 -8.989 -5.504 -12.899 1.00 0.00 N ATOM 973 CA GLU A 64 -9.848 -6.640 -12.459 1.00 0.00 C ATOM 974 C GLU A 64 -10.394 -6.373 -11.054 1.00 0.00 C ATOM 975 O GLU A 64 -9.663 -6.021 -10.150 1.00 0.00 O ATOM 976 CB GLU A 64 -8.921 -7.857 -12.450 1.00 0.00 C ATOM 977 CG GLU A 64 -9.758 -9.137 -12.417 1.00 0.00 C ATOM 978 CD GLU A 64 -10.132 -9.541 -13.844 1.00 0.00 C ATOM 979 OE1 GLU A 64 -9.832 -8.782 -14.751 1.00 0.00 O ATOM 980 OE2 GLU A 64 -10.713 -10.601 -14.007 1.00 0.00 O ATOM 0 H GLU A 64 -8.766 -4.822 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.707 -6.787 -13.113 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.285 -7.849 -13.335 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.262 -7.819 -11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.197 -9.938 -11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.659 -8.979 -11.825 1.00 0.00 H new ATOM 987 N ASP A 65 -11.675 -6.536 -10.863 1.00 0.00 N ATOM 988 CA ASP A 65 -12.266 -6.289 -9.516 1.00 0.00 C ATOM 989 C ASP A 65 -12.424 -7.609 -8.757 1.00 0.00 C ATOM 990 O ASP A 65 -13.448 -7.784 -8.119 1.00 0.00 O ATOM 991 CB ASP A 65 -13.632 -5.662 -9.792 1.00 0.00 C ATOM 992 CG ASP A 65 -13.444 -4.264 -10.381 1.00 0.00 C ATOM 993 OD1 ASP A 65 -12.830 -4.161 -11.430 1.00 0.00 O ATOM 994 OD2 ASP A 65 -13.918 -3.318 -9.772 1.00 0.00 O ATOM 995 OXT ASP A 65 -11.517 -8.423 -8.828 1.00 0.00 O ATOM 0 H ASP A 65 -12.338 -6.829 -11.581 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.638 -5.644 -8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.197 -6.286 -10.484 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.210 -5.605 -8.870 1.00 0.00 H new TER 1000 ASP A 65 HETATM 1001 ZN ZN A 66 -4.477 0.120 1.596 1.00 0.00 ZN HETATM 1002 ZN ZN A 67 5.392 -8.484 0.391 1.00 0.00 ZN