USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 505 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 38 CYS SG : rot -8:sc= 0.734 USER MOD Set 1.2: A 62 CYS SG : rot 155:sc= -0.217 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 170:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.121 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.378 USER MOD Single : A 11 CYS SG : rot 180:sc= -2.19! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -120:sc= -0.519 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -158:sc= 0.0963 USER MOD Single : A 30 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.72) USER MOD Single : A 32 HIS : no HE2:sc= -0.896 K(o=-0.9,f=-2.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -2.06 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= 0.893 (180deg=0.58) USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00776 USER MOD Single : A 53 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.75) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.614 USER MOD Single : A 60 GLN : amide:sc= 1.12 K(o=1.1,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= -0.0219 (180deg=-0.193) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.924 -29.690 2.224 1.00 0.00 N ATOM 2 CA GLY A 1 4.576 -28.684 1.386 1.00 0.00 C ATOM 3 C GLY A 1 3.580 -27.633 0.940 1.00 0.00 C ATOM 4 O GLY A 1 2.536 -27.963 0.379 1.00 0.00 O ATOM 0 H1 GLY A 1 4.623 -30.401 2.520 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.519 -29.232 3.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.166 -30.153 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.387 -28.212 1.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.022 -29.163 0.514 1.00 0.00 H new ATOM 8 N SER A 2 3.877 -26.366 1.220 1.00 0.00 N ATOM 9 CA SER A 2 3.060 -25.217 0.851 1.00 0.00 C ATOM 10 C SER A 2 3.985 -24.006 0.708 1.00 0.00 C ATOM 11 O SER A 2 5.102 -24.006 1.235 1.00 0.00 O ATOM 12 CB SER A 2 1.997 -24.914 1.920 1.00 0.00 C ATOM 13 OG SER A 2 1.184 -26.025 2.257 1.00 0.00 O ATOM 0 H SER A 2 4.722 -26.104 1.727 1.00 0.00 H new ATOM 0 HA SER A 2 2.542 -25.435 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.495 -24.555 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.359 -24.105 1.564 1.00 0.00 H new ATOM 0 HG SER A 2 0.535 -25.760 2.941 1.00 0.00 H new ATOM 19 N SER A 3 3.540 -22.968 0.009 1.00 0.00 N ATOM 20 CA SER A 3 4.274 -21.733 -0.204 1.00 0.00 C ATOM 21 C SER A 3 3.474 -20.690 0.558 1.00 0.00 C ATOM 22 O SER A 3 2.378 -20.338 0.122 1.00 0.00 O ATOM 23 CB SER A 3 4.387 -21.434 -1.703 1.00 0.00 C ATOM 24 OG SER A 3 5.274 -20.362 -1.938 1.00 0.00 O ATOM 0 H SER A 3 2.624 -22.967 -0.440 1.00 0.00 H new ATOM 0 HA SER A 3 5.304 -21.767 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.736 -22.322 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.403 -21.192 -2.105 1.00 0.00 H new ATOM 0 HG SER A 3 5.332 -20.190 -2.901 1.00 0.00 H new ATOM 30 N GLY A 4 3.960 -20.273 1.724 1.00 0.00 N ATOM 31 CA GLY A 4 3.284 -19.289 2.543 1.00 0.00 C ATOM 32 C GLY A 4 2.115 -19.906 3.304 1.00 0.00 C ATOM 33 O GLY A 4 2.269 -20.254 4.474 1.00 0.00 O ATOM 0 H GLY A 4 4.836 -20.613 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.991 -18.854 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.922 -18.476 1.913 1.00 0.00 H new ATOM 37 N SER A 5 0.964 -20.048 2.635 1.00 0.00 N ATOM 38 CA SER A 5 -0.291 -20.582 3.181 1.00 0.00 C ATOM 39 C SER A 5 -0.684 -19.878 4.496 1.00 0.00 C ATOM 40 O SER A 5 -1.301 -20.460 5.394 1.00 0.00 O ATOM 41 CB SER A 5 -0.328 -22.120 3.199 1.00 0.00 C ATOM 42 OG SER A 5 0.775 -22.742 3.822 1.00 0.00 O ATOM 0 H SER A 5 0.878 -19.782 1.654 1.00 0.00 H new ATOM 0 HA SER A 5 -1.097 -20.330 2.491 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.238 -22.439 3.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.393 -22.478 2.171 1.00 0.00 H new ATOM 0 HG SER A 5 0.593 -23.699 3.930 1.00 0.00 H new ATOM 48 N SER A 6 -0.274 -18.613 4.603 1.00 0.00 N ATOM 49 CA SER A 6 -0.498 -17.694 5.700 1.00 0.00 C ATOM 50 C SER A 6 -1.970 -17.256 5.692 1.00 0.00 C ATOM 51 O SER A 6 -2.775 -17.771 4.912 1.00 0.00 O ATOM 52 CB SER A 6 0.494 -16.527 5.540 1.00 0.00 C ATOM 53 OG SER A 6 0.698 -16.154 4.180 1.00 0.00 O ATOM 0 H SER A 6 0.268 -18.177 3.857 1.00 0.00 H new ATOM 0 HA SER A 6 -0.319 -18.153 6.672 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.126 -15.665 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.450 -16.807 5.982 1.00 0.00 H new ATOM 0 HG SER A 6 1.334 -15.409 4.137 1.00 0.00 H new ATOM 59 N GLY A 7 -2.341 -16.310 6.552 1.00 0.00 N ATOM 60 CA GLY A 7 -3.699 -15.812 6.634 1.00 0.00 C ATOM 61 C GLY A 7 -3.686 -14.319 6.900 1.00 0.00 C ATOM 62 O GLY A 7 -3.156 -13.554 6.102 1.00 0.00 O ATOM 0 H GLY A 7 -1.700 -15.870 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.229 -16.020 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.237 -16.327 7.430 1.00 0.00 H new ATOM 66 N CYS A 8 -4.274 -13.883 8.016 1.00 0.00 N ATOM 67 CA CYS A 8 -4.316 -12.460 8.323 1.00 0.00 C ATOM 68 C CYS A 8 -2.939 -11.878 8.603 1.00 0.00 C ATOM 69 O CYS A 8 -2.435 -12.103 9.691 1.00 0.00 O ATOM 70 CB CYS A 8 -5.243 -12.162 9.518 1.00 0.00 C ATOM 71 SG CYS A 8 -5.453 -10.392 9.815 1.00 0.00 S ATOM 0 H CYS A 8 -4.719 -14.486 8.708 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.714 -11.981 7.429 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.218 -12.614 9.337 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.836 -12.631 10.414 1.00 0.00 H new ATOM 0 HG CYS A 8 -6.244 -10.213 10.831 1.00 0.00 H new ATOM 76 N VAL A 9 -2.360 -11.089 7.703 1.00 0.00 N ATOM 77 CA VAL A 9 -1.061 -10.431 7.886 1.00 0.00 C ATOM 78 C VAL A 9 -1.028 -9.686 9.232 1.00 0.00 C ATOM 79 O VAL A 9 -0.001 -9.654 9.911 1.00 0.00 O ATOM 80 CB VAL A 9 -0.879 -9.408 6.736 1.00 0.00 C ATOM 81 CG1 VAL A 9 0.398 -8.566 6.820 1.00 0.00 C ATOM 82 CG2 VAL A 9 -0.937 -10.080 5.365 1.00 0.00 C ATOM 0 H VAL A 9 -2.789 -10.881 6.801 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.264 -11.174 7.877 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.720 -8.726 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.438 -7.880 5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.398 -7.996 7.749 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.268 -9.222 6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.805 -9.329 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.143 -10.823 5.290 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.904 -10.567 5.239 1.00 0.00 H new ATOM 92 N ALA A 10 -2.180 -9.126 9.624 1.00 0.00 N ATOM 93 CA ALA A 10 -2.414 -8.347 10.829 1.00 0.00 C ATOM 94 C ALA A 10 -2.746 -9.143 12.107 1.00 0.00 C ATOM 95 O ALA A 10 -3.073 -8.524 13.121 1.00 0.00 O ATOM 96 CB ALA A 10 -3.512 -7.326 10.520 1.00 0.00 C ATOM 0 H ALA A 10 -3.027 -9.217 9.063 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.464 -7.873 11.077 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.710 -6.725 11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.187 -6.677 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.422 -7.848 10.225 1.00 0.00 H new ATOM 102 N CYS A 11 -2.792 -10.480 12.096 1.00 0.00 N ATOM 103 CA CYS A 11 -3.077 -11.255 13.322 1.00 0.00 C ATOM 104 C CYS A 11 -2.464 -12.673 13.290 1.00 0.00 C ATOM 105 O CYS A 11 -2.416 -13.371 14.300 1.00 0.00 O ATOM 106 CB CYS A 11 -4.596 -11.308 13.615 1.00 0.00 C ATOM 107 SG CYS A 11 -5.449 -12.710 12.875 1.00 0.00 S ATOM 0 H CYS A 11 -2.638 -11.049 11.263 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.591 -10.725 14.141 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.744 -11.337 14.694 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.055 -10.388 13.255 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.711 -12.661 13.182 1.00 0.00 H new ATOM 112 N SER A 12 -2.018 -13.099 12.118 1.00 0.00 N ATOM 113 CA SER A 12 -1.404 -14.354 11.729 1.00 0.00 C ATOM 114 C SER A 12 -2.252 -15.579 12.078 1.00 0.00 C ATOM 115 O SER A 12 -1.776 -16.509 12.726 1.00 0.00 O ATOM 116 CB SER A 12 0.058 -14.448 12.186 1.00 0.00 C ATOM 117 OG SER A 12 0.711 -13.192 12.121 1.00 0.00 O ATOM 0 H SER A 12 -2.091 -12.483 11.308 1.00 0.00 H new ATOM 0 HA SER A 12 -1.370 -14.359 10.640 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.096 -14.825 13.208 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.589 -15.166 11.561 1.00 0.00 H new ATOM 0 HG SER A 12 1.639 -13.290 12.421 1.00 0.00 H new ATOM 123 N LYS A 13 -3.530 -15.564 11.680 1.00 0.00 N ATOM 124 CA LYS A 13 -4.474 -16.652 11.884 1.00 0.00 C ATOM 125 C LYS A 13 -4.942 -17.192 10.549 1.00 0.00 C ATOM 126 O LYS A 13 -5.064 -16.396 9.607 1.00 0.00 O ATOM 127 CB LYS A 13 -5.691 -16.215 12.691 1.00 0.00 C ATOM 128 CG LYS A 13 -5.286 -15.940 14.136 1.00 0.00 C ATOM 129 CD LYS A 13 -4.821 -17.205 14.851 1.00 0.00 C ATOM 130 CE LYS A 13 -4.625 -16.991 16.349 1.00 0.00 C ATOM 131 NZ LYS A 13 -3.625 -15.962 16.694 1.00 0.00 N ATOM 0 H LYS A 13 -3.941 -14.767 11.193 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.951 -17.426 12.446 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.128 -15.319 12.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.456 -16.991 12.660 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.487 -15.199 14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.131 -15.510 14.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.553 -17.997 14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.884 -17.544 14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.581 -16.713 16.792 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.327 -17.936 16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.554 -15.880 17.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.700 -16.232 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.916 -15.047 16.294 1.00 0.00 H new ATOM 145 N PRO A 14 -5.261 -18.492 10.494 1.00 0.00 N ATOM 146 CA PRO A 14 -5.702 -19.149 9.288 1.00 0.00 C ATOM 147 C PRO A 14 -7.154 -18.817 8.951 1.00 0.00 C ATOM 148 O PRO A 14 -8.080 -18.961 9.755 1.00 0.00 O ATOM 149 CB PRO A 14 -5.475 -20.641 9.534 1.00 0.00 C ATOM 150 CG PRO A 14 -5.614 -20.801 11.044 1.00 0.00 C ATOM 151 CD PRO A 14 -5.145 -19.452 11.589 1.00 0.00 C ATOM 0 HA PRO A 14 -5.144 -18.809 8.416 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.207 -21.248 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.490 -20.955 9.190 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.643 -21.015 11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.001 -21.621 11.419 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.755 -19.145 12.439 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.115 -19.514 11.941 1.00 0.00 H new ATOM 159 N ILE A 15 -7.307 -18.278 7.750 1.00 0.00 N ATOM 160 CA ILE A 15 -8.553 -17.893 7.100 1.00 0.00 C ATOM 161 C ILE A 15 -9.130 -19.203 6.523 1.00 0.00 C ATOM 162 O ILE A 15 -8.418 -20.210 6.441 1.00 0.00 O ATOM 163 CB ILE A 15 -8.252 -16.823 6.017 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.677 -15.550 6.684 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.498 -16.452 5.182 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.072 -14.575 5.677 1.00 0.00 C ATOM 0 H ILE A 15 -6.500 -18.083 7.158 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.279 -17.437 7.773 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.522 -17.256 5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.469 -15.047 7.239 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.914 -15.838 7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.228 -15.700 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.875 -17.341 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.271 -16.053 5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.685 -13.702 6.203 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.260 -15.064 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.839 -14.261 4.968 1.00 0.00 H new ATOM 178 N SER A 16 -10.417 -19.222 6.176 1.00 0.00 N ATOM 179 CA SER A 16 -11.077 -20.386 5.604 1.00 0.00 C ATOM 180 C SER A 16 -10.472 -20.675 4.216 1.00 0.00 C ATOM 181 O SER A 16 -9.550 -21.479 4.124 1.00 0.00 O ATOM 182 CB SER A 16 -12.590 -20.156 5.598 1.00 0.00 C ATOM 183 OG SER A 16 -13.077 -19.742 6.866 1.00 0.00 O ATOM 0 H SER A 16 -11.034 -18.418 6.287 1.00 0.00 H new ATOM 0 HA SER A 16 -10.910 -21.281 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.838 -19.401 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.094 -21.076 5.300 1.00 0.00 H new ATOM 0 HG SER A 16 -14.046 -19.605 6.816 1.00 0.00 H new ATOM 189 N GLY A 17 -10.866 -19.965 3.152 1.00 0.00 N ATOM 190 CA GLY A 17 -10.336 -20.172 1.802 1.00 0.00 C ATOM 191 C GLY A 17 -11.459 -20.182 0.777 1.00 0.00 C ATOM 192 O GLY A 17 -11.928 -21.256 0.420 1.00 0.00 O ATOM 0 H GLY A 17 -11.567 -19.226 3.206 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.624 -19.382 1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.791 -21.115 1.761 1.00 0.00 H new ATOM 196 N LEU A 18 -11.887 -19.004 0.299 1.00 0.00 N ATOM 197 CA LEU A 18 -12.974 -18.821 -0.688 1.00 0.00 C ATOM 198 C LEU A 18 -14.319 -19.399 -0.210 1.00 0.00 C ATOM 199 O LEU A 18 -15.305 -19.403 -0.946 1.00 0.00 O ATOM 200 CB LEU A 18 -12.584 -19.378 -2.080 1.00 0.00 C ATOM 201 CG LEU A 18 -11.426 -18.648 -2.784 1.00 0.00 C ATOM 202 CD1 LEU A 18 -10.939 -19.466 -3.985 1.00 0.00 C ATOM 203 CD2 LEU A 18 -11.846 -17.255 -3.275 1.00 0.00 C ATOM 0 H LEU A 18 -11.475 -18.119 0.596 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.116 -17.745 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.315 -20.428 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.461 -19.340 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.625 -18.534 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.120 -18.940 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.592 -20.441 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.759 -19.599 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.001 -16.772 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.670 -17.352 -3.982 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.166 -16.651 -2.426 1.00 0.00 H new ATOM 215 N THR A 19 -14.424 -19.759 1.067 1.00 0.00 N ATOM 216 CA THR A 19 -15.587 -20.348 1.718 1.00 0.00 C ATOM 217 C THR A 19 -16.784 -19.393 1.825 1.00 0.00 C ATOM 218 O THR A 19 -17.921 -19.844 1.979 1.00 0.00 O ATOM 219 CB THR A 19 -15.135 -20.774 3.124 1.00 0.00 C ATOM 220 OG1 THR A 19 -13.802 -21.261 3.090 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.076 -21.794 3.751 1.00 0.00 C ATOM 0 H THR A 19 -13.646 -19.638 1.716 1.00 0.00 H new ATOM 0 HA THR A 19 -15.937 -21.187 1.116 1.00 0.00 H new ATOM 0 HB THR A 19 -15.168 -19.888 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.785 -22.190 3.403 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.713 -22.062 4.743 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.075 -21.365 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.115 -22.686 3.125 1.00 0.00 H new ATOM 229 N GLY A 20 -16.574 -18.092 1.629 1.00 0.00 N ATOM 230 CA GLY A 20 -17.611 -17.074 1.713 1.00 0.00 C ATOM 231 C GLY A 20 -17.452 -16.053 2.831 1.00 0.00 C ATOM 232 O GLY A 20 -18.343 -15.221 3.003 1.00 0.00 O ATOM 0 H GLY A 20 -15.655 -17.711 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.647 -16.541 0.763 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.573 -17.572 1.836 1.00 0.00 H new ATOM 236 N ALA A 21 -16.336 -16.077 3.565 1.00 0.00 N ATOM 237 CA ALA A 21 -16.085 -15.116 4.630 1.00 0.00 C ATOM 238 C ALA A 21 -15.871 -13.722 4.014 1.00 0.00 C ATOM 239 O ALA A 21 -15.562 -13.606 2.820 1.00 0.00 O ATOM 240 CB ALA A 21 -14.836 -15.550 5.412 1.00 0.00 C ATOM 0 H ALA A 21 -15.589 -16.760 3.435 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.936 -15.076 5.310 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.641 -14.835 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -15.000 -16.539 5.841 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.979 -15.584 4.739 1.00 0.00 H new ATOM 246 N LYS A 22 -16.006 -12.656 4.805 1.00 0.00 N ATOM 247 CA LYS A 22 -15.796 -11.289 4.313 1.00 0.00 C ATOM 248 C LYS A 22 -14.306 -10.975 4.418 1.00 0.00 C ATOM 249 O LYS A 22 -13.796 -10.788 5.527 1.00 0.00 O ATOM 250 CB LYS A 22 -16.628 -10.262 5.086 1.00 0.00 C ATOM 251 CG LYS A 22 -18.132 -10.530 4.974 1.00 0.00 C ATOM 252 CD LYS A 22 -18.938 -9.346 5.513 1.00 0.00 C ATOM 253 CE LYS A 22 -19.091 -8.244 4.461 1.00 0.00 C ATOM 254 NZ LYS A 22 -19.980 -7.168 4.937 1.00 0.00 N ATOM 0 H LYS A 22 -16.260 -12.711 5.791 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.127 -11.226 3.276 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.336 -10.277 6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.410 -9.263 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.397 -10.712 3.932 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.387 -11.432 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.924 -9.689 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.444 -8.941 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.112 -7.830 4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -19.492 -8.670 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.064 -6.436 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -20.921 -7.561 5.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.583 -6.747 5.801 1.00 0.00 H new ATOM 268 N PHE A 23 -13.597 -10.942 3.292 1.00 0.00 N ATOM 269 CA PHE A 23 -12.165 -10.668 3.246 1.00 0.00 C ATOM 270 C PHE A 23 -11.832 -9.617 2.196 1.00 0.00 C ATOM 271 O PHE A 23 -12.640 -9.313 1.318 1.00 0.00 O ATOM 272 CB PHE A 23 -11.386 -11.973 3.042 1.00 0.00 C ATOM 273 CG PHE A 23 -11.838 -12.897 1.932 1.00 0.00 C ATOM 274 CD1 PHE A 23 -11.449 -12.678 0.599 1.00 0.00 C ATOM 275 CD2 PHE A 23 -12.637 -14.006 2.254 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.924 -13.529 -0.417 1.00 0.00 C ATOM 277 CE2 PHE A 23 -13.134 -14.840 1.237 1.00 0.00 C ATOM 278 CZ PHE A 23 -12.786 -14.595 -0.099 1.00 0.00 C ATOM 0 H PHE A 23 -14.008 -11.107 2.373 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.857 -10.247 4.203 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.343 -11.716 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.418 -12.532 3.977 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.788 -11.860 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.871 -14.219 3.287 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.626 -13.364 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.782 -15.668 1.484 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.179 -15.224 -0.884 1.00 0.00 H new ATOM 288 N ILE A 24 -10.631 -9.058 2.293 1.00 0.00 N ATOM 289 CA ILE A 24 -10.077 -8.029 1.432 1.00 0.00 C ATOM 290 C ILE A 24 -8.751 -8.584 0.917 1.00 0.00 C ATOM 291 O ILE A 24 -8.023 -9.249 1.665 1.00 0.00 O ATOM 292 CB ILE A 24 -9.892 -6.707 2.220 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.194 -6.182 2.872 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.360 -5.620 1.269 1.00 0.00 C ATOM 295 CD1 ILE A 24 -11.559 -6.783 4.231 1.00 0.00 C ATOM 0 H ILE A 24 -9.977 -9.333 3.026 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.738 -7.790 0.599 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.190 -6.927 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.108 -5.102 2.987 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.019 -6.364 2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.228 -4.688 1.819 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.402 -5.936 0.855 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.072 -5.465 0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.488 -6.339 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.687 -7.861 4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -10.762 -6.578 4.945 1.00 0.00 H new ATOM 307 N CYS A 25 -8.474 -8.364 -0.366 1.00 0.00 N ATOM 308 CA CYS A 25 -7.269 -8.795 -1.044 1.00 0.00 C ATOM 309 C CYS A 25 -6.721 -7.599 -1.814 1.00 0.00 C ATOM 310 O CYS A 25 -7.448 -7.023 -2.624 1.00 0.00 O ATOM 311 CB CYS A 25 -7.601 -9.975 -1.967 1.00 0.00 C ATOM 312 SG CYS A 25 -6.114 -10.497 -2.864 1.00 0.00 S ATOM 0 H CYS A 25 -9.113 -7.860 -0.980 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.511 -9.140 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.993 -10.806 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.380 -9.687 -2.673 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.405 -11.498 -3.641 1.00 0.00 H new ATOM 318 N PHE A 26 -5.492 -7.190 -1.521 1.00 0.00 N ATOM 319 CA PHE A 26 -4.784 -6.089 -2.160 1.00 0.00 C ATOM 320 C PHE A 26 -3.328 -6.538 -2.180 1.00 0.00 C ATOM 321 O PHE A 26 -2.830 -6.977 -1.146 1.00 0.00 O ATOM 322 CB PHE A 26 -4.985 -4.766 -1.400 1.00 0.00 C ATOM 323 CG PHE A 26 -3.992 -3.675 -1.776 1.00 0.00 C ATOM 324 CD1 PHE A 26 -3.876 -3.250 -3.114 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.148 -3.108 -0.799 1.00 0.00 C ATOM 326 CE1 PHE A 26 -2.917 -2.291 -3.478 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.197 -2.137 -1.162 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.077 -1.728 -2.501 1.00 0.00 C ATOM 0 H PHE A 26 -4.935 -7.640 -0.795 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.154 -5.881 -3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.995 -4.402 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.908 -4.959 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.530 -3.665 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.232 -3.420 0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.824 -1.985 -4.510 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.556 -1.704 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.344 -0.985 -2.778 1.00 0.00 H new ATOM 338 N GLN A 27 -2.649 -6.450 -3.325 1.00 0.00 N ATOM 339 CA GLN A 27 -1.254 -6.862 -3.486 1.00 0.00 C ATOM 340 C GLN A 27 -1.033 -8.310 -3.007 1.00 0.00 C ATOM 341 O GLN A 27 -0.028 -8.612 -2.367 1.00 0.00 O ATOM 342 CB GLN A 27 -0.315 -5.850 -2.802 1.00 0.00 C ATOM 343 CG GLN A 27 1.115 -5.957 -3.355 1.00 0.00 C ATOM 344 CD GLN A 27 2.171 -5.582 -2.323 1.00 0.00 C ATOM 345 OE1 GLN A 27 2.423 -6.292 -1.355 1.00 0.00 O ATOM 346 NE2 GLN A 27 2.835 -4.457 -2.506 1.00 0.00 N ATOM 0 H GLN A 27 -3.062 -6.083 -4.183 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.008 -6.861 -4.548 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.692 -4.839 -2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.306 -6.027 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 27 1.293 -6.976 -3.698 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.214 -5.307 -4.224 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.626 -3.866 -3.311 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.558 -4.178 -1.843 1.00 0.00 H new ATOM 355 N ASP A 28 -1.986 -9.206 -3.283 1.00 0.00 N ATOM 356 CA ASP A 28 -1.961 -10.631 -2.919 1.00 0.00 C ATOM 357 C ASP A 28 -2.077 -10.868 -1.399 1.00 0.00 C ATOM 358 O ASP A 28 -2.109 -12.022 -0.954 1.00 0.00 O ATOM 359 CB ASP A 28 -0.748 -11.358 -3.548 1.00 0.00 C ATOM 360 CG ASP A 28 -0.581 -11.069 -5.040 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.457 -11.504 -5.828 1.00 0.00 O ATOM 362 OD2 ASP A 28 0.389 -10.362 -5.402 1.00 0.00 O ATOM 0 H ASP A 28 -2.834 -8.949 -3.788 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.857 -11.079 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.159 -11.059 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.861 -12.432 -3.403 1.00 0.00 H new ATOM 367 N SER A 29 -2.169 -9.802 -0.600 1.00 0.00 N ATOM 368 CA SER A 29 -2.305 -9.800 0.847 1.00 0.00 C ATOM 369 C SER A 29 -3.721 -10.219 1.241 1.00 0.00 C ATOM 370 O SER A 29 -4.614 -10.303 0.391 1.00 0.00 O ATOM 371 CB SER A 29 -1.964 -8.412 1.383 1.00 0.00 C ATOM 372 OG SER A 29 -1.828 -8.437 2.779 1.00 0.00 O ATOM 0 H SER A 29 -2.148 -8.856 -0.980 1.00 0.00 H new ATOM 0 HA SER A 29 -1.613 -10.519 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.038 -8.059 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.746 -7.706 1.102 1.00 0.00 H new ATOM 0 HG SER A 29 -1.966 -7.535 3.137 1.00 0.00 H new ATOM 378 N GLN A 30 -3.914 -10.546 2.518 1.00 0.00 N ATOM 379 CA GLN A 30 -5.190 -10.975 3.053 1.00 0.00 C ATOM 380 C GLN A 30 -5.541 -10.254 4.351 1.00 0.00 C ATOM 381 O GLN A 30 -4.928 -10.513 5.392 1.00 0.00 O ATOM 382 CB GLN A 30 -5.177 -12.494 3.288 1.00 0.00 C ATOM 383 CG GLN A 30 -5.064 -13.306 1.997 1.00 0.00 C ATOM 384 CD GLN A 30 -5.584 -14.728 2.187 1.00 0.00 C ATOM 385 OE1 GLN A 30 -5.101 -15.474 3.029 1.00 0.00 O ATOM 386 NE2 GLN A 30 -6.609 -15.141 1.459 1.00 0.00 N ATOM 0 H GLN A 30 -3.171 -10.517 3.216 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.954 -10.721 2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.342 -12.746 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.089 -12.781 3.811 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.628 -12.813 1.205 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.023 -13.337 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.016 -14.525 0.756 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.992 -16.076 1.601 1.00 0.00 H new ATOM 395 N TRP A 31 -6.551 -9.380 4.327 1.00 0.00 N ATOM 396 CA TRP A 31 -7.028 -8.656 5.506 1.00 0.00 C ATOM 397 C TRP A 31 -8.484 -9.057 5.757 1.00 0.00 C ATOM 398 O TRP A 31 -9.299 -9.103 4.832 1.00 0.00 O ATOM 399 CB TRP A 31 -6.849 -7.133 5.383 1.00 0.00 C ATOM 400 CG TRP A 31 -5.448 -6.609 5.531 1.00 0.00 C ATOM 401 CD1 TRP A 31 -4.836 -6.325 6.706 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.497 -6.196 4.498 1.00 0.00 C ATOM 403 NE1 TRP A 31 -3.535 -5.937 6.478 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.276 -5.814 5.133 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.548 -6.071 3.094 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.147 -5.395 4.418 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.440 -5.589 2.371 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.239 -5.263 3.025 1.00 0.00 C ATOM 0 H TRP A 31 -7.066 -9.153 3.476 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.421 -8.934 6.367 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.229 -6.822 4.410 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.474 -6.654 6.137 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.301 -6.393 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.850 -5.763 7.213 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.449 -6.349 2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.222 -5.177 4.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.514 -5.468 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.390 -4.912 2.457 1.00 0.00 H new ATOM 419 N HIS A 32 -8.794 -9.438 6.999 1.00 0.00 N ATOM 420 CA HIS A 32 -10.124 -9.839 7.450 1.00 0.00 C ATOM 421 C HIS A 32 -10.952 -8.560 7.513 1.00 0.00 C ATOM 422 O HIS A 32 -10.388 -7.503 7.799 1.00 0.00 O ATOM 423 CB HIS A 32 -10.085 -10.384 8.897 1.00 0.00 C ATOM 424 CG HIS A 32 -9.649 -11.814 9.135 1.00 0.00 C ATOM 425 ND1 HIS A 32 -8.550 -12.221 9.917 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.403 -12.912 8.853 1.00 0.00 C ATOM 427 CE1 HIS A 32 -8.637 -13.567 10.002 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.749 -13.994 9.389 1.00 0.00 N ATOM 0 H HIS A 32 -8.098 -9.476 7.744 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.518 -10.603 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.422 -9.738 9.473 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.084 -10.271 9.317 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -7.836 -11.623 10.333 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.337 -12.929 8.311 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.916 -14.205 10.492 1.00 0.00 H new ATOM 436 N SER A 33 -12.272 -8.663 7.386 1.00 0.00 N ATOM 437 CA SER A 33 -13.198 -7.538 7.460 1.00 0.00 C ATOM 438 C SER A 33 -12.928 -6.682 8.716 1.00 0.00 C ATOM 439 O SER A 33 -12.741 -5.468 8.642 1.00 0.00 O ATOM 440 CB SER A 33 -14.621 -8.112 7.427 1.00 0.00 C ATOM 441 OG SER A 33 -14.754 -9.158 8.382 1.00 0.00 O ATOM 0 H SER A 33 -12.739 -9.555 7.224 1.00 0.00 H new ATOM 0 HA SER A 33 -13.064 -6.864 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.343 -7.324 7.638 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.845 -8.490 6.430 1.00 0.00 H new ATOM 0 HG SER A 33 -15.666 -9.514 8.352 1.00 0.00 H new ATOM 447 N GLU A 34 -12.829 -7.306 9.891 1.00 0.00 N ATOM 448 CA GLU A 34 -12.583 -6.604 11.150 1.00 0.00 C ATOM 449 C GLU A 34 -11.134 -6.129 11.334 1.00 0.00 C ATOM 450 O GLU A 34 -10.856 -5.472 12.339 1.00 0.00 O ATOM 451 CB GLU A 34 -12.911 -7.525 12.332 1.00 0.00 C ATOM 452 CG GLU A 34 -14.354 -8.031 12.358 1.00 0.00 C ATOM 453 CD GLU A 34 -14.690 -8.609 13.731 1.00 0.00 C ATOM 454 OE1 GLU A 34 -13.859 -9.358 14.312 1.00 0.00 O ATOM 455 OE2 GLU A 34 -15.785 -8.304 14.251 1.00 0.00 O ATOM 0 H GLU A 34 -12.918 -8.317 9.996 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.224 -5.723 11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.239 -8.383 12.306 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.710 -6.990 13.260 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.037 -7.215 12.123 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.493 -8.793 11.591 1.00 0.00 H new ATOM 462 N CYS A 35 -10.211 -6.458 10.423 1.00 0.00 N ATOM 463 CA CYS A 35 -8.800 -6.095 10.497 1.00 0.00 C ATOM 464 C CYS A 35 -8.289 -5.275 9.301 1.00 0.00 C ATOM 465 O CYS A 35 -7.081 -5.261 9.069 1.00 0.00 O ATOM 466 CB CYS A 35 -7.979 -7.355 10.836 1.00 0.00 C ATOM 467 SG CYS A 35 -8.263 -7.826 12.554 1.00 0.00 S ATOM 0 H CYS A 35 -10.437 -7.001 9.590 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.663 -5.383 11.311 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.261 -8.173 10.174 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.918 -7.164 10.672 1.00 0.00 H new ATOM 0 HG CYS A 35 -7.570 -8.890 12.833 1.00 0.00 H new ATOM 472 N PHE A 36 -9.172 -4.659 8.504 1.00 0.00 N ATOM 473 CA PHE A 36 -8.810 -3.803 7.369 1.00 0.00 C ATOM 474 C PHE A 36 -9.259 -2.399 7.781 1.00 0.00 C ATOM 475 O PHE A 36 -10.464 -2.116 7.726 1.00 0.00 O ATOM 476 CB PHE A 36 -9.437 -4.303 6.063 1.00 0.00 C ATOM 477 CG PHE A 36 -8.907 -3.595 4.827 1.00 0.00 C ATOM 478 CD1 PHE A 36 -7.536 -3.649 4.507 1.00 0.00 C ATOM 479 CD2 PHE A 36 -9.782 -2.886 3.983 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.047 -2.994 3.362 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.291 -2.212 2.849 1.00 0.00 C ATOM 482 CZ PHE A 36 -7.921 -2.262 2.541 1.00 0.00 C ATOM 0 H PHE A 36 -10.180 -4.745 8.634 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.741 -3.812 7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.252 -5.373 5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.518 -4.169 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.857 -4.196 5.144 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.838 -2.859 4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.998 -3.054 3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.967 -1.657 2.216 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.541 -1.739 1.676 1.00 0.00 H new ATOM 492 N ASN A 37 -8.342 -1.527 8.224 1.00 0.00 N ATOM 493 CA ASN A 37 -8.713 -0.188 8.686 1.00 0.00 C ATOM 494 C ASN A 37 -7.639 0.898 8.509 1.00 0.00 C ATOM 495 O ASN A 37 -6.476 0.607 8.258 1.00 0.00 O ATOM 496 CB ASN A 37 -9.150 -0.294 10.167 1.00 0.00 C ATOM 497 CG ASN A 37 -8.222 -1.108 11.059 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.134 -0.663 11.411 1.00 0.00 O ATOM 499 ND2 ASN A 37 -8.664 -2.277 11.489 1.00 0.00 N ATOM 0 H ASN A 37 -7.343 -1.727 8.271 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.528 0.149 8.045 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.233 0.712 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.145 -0.737 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.097 -2.833 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.572 -2.624 11.181 1.00 0.00 H new ATOM 506 N CYS A 38 -8.052 2.175 8.660 1.00 0.00 N ATOM 507 CA CYS A 38 -7.178 3.362 8.544 1.00 0.00 C ATOM 508 C CYS A 38 -6.006 3.231 9.516 1.00 0.00 C ATOM 509 O CYS A 38 -6.236 3.438 10.707 1.00 0.00 O ATOM 510 CB CYS A 38 -7.891 4.717 8.858 1.00 0.00 C ATOM 511 SG CYS A 38 -6.812 6.124 8.506 1.00 0.00 S ATOM 0 H CYS A 38 -9.021 2.414 8.870 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.859 3.387 7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.802 4.797 8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.190 4.739 9.906 1.00 0.00 H new ATOM 0 HG CYS A 38 -5.616 5.695 8.229 1.00 0.00 H new ATOM 516 N GLY A 39 -4.780 3.064 9.021 1.00 0.00 N ATOM 517 CA GLY A 39 -3.574 2.906 9.841 1.00 0.00 C ATOM 518 C GLY A 39 -3.345 4.016 10.874 1.00 0.00 C ATOM 519 O GLY A 39 -2.738 3.788 11.916 1.00 0.00 O ATOM 0 H GLY A 39 -4.591 3.034 8.019 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.630 1.950 10.362 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.707 2.859 9.181 1.00 0.00 H new ATOM 523 N LYS A 40 -3.878 5.219 10.636 1.00 0.00 N ATOM 524 CA LYS A 40 -3.743 6.367 11.540 1.00 0.00 C ATOM 525 C LYS A 40 -4.836 6.507 12.594 1.00 0.00 C ATOM 526 O LYS A 40 -4.638 7.255 13.544 1.00 0.00 O ATOM 527 CB LYS A 40 -3.809 7.668 10.723 1.00 0.00 C ATOM 528 CG LYS A 40 -2.456 8.083 10.171 1.00 0.00 C ATOM 529 CD LYS A 40 -2.510 9.525 9.646 1.00 0.00 C ATOM 530 CE LYS A 40 -1.118 10.036 9.254 1.00 0.00 C ATOM 531 NZ LYS A 40 -1.112 11.499 9.028 1.00 0.00 N ATOM 0 H LYS A 40 -4.423 5.426 9.799 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.794 6.194 12.048 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.509 7.539 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.201 8.467 11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.698 8.001 10.950 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.162 7.408 9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.173 9.574 8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.935 10.175 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.405 9.787 10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.786 9.527 8.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.154 11.806 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.774 11.734 8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.405 11.986 9.899 1.00 0.00 H new ATOM 545 N CYS A 41 -6.010 5.904 12.397 1.00 0.00 N ATOM 546 CA CYS A 41 -7.107 6.065 13.349 1.00 0.00 C ATOM 547 C CYS A 41 -7.896 4.834 13.766 1.00 0.00 C ATOM 548 O CYS A 41 -8.575 4.917 14.786 1.00 0.00 O ATOM 549 CB CYS A 41 -8.131 7.007 12.710 1.00 0.00 C ATOM 550 SG CYS A 41 -9.412 6.165 11.733 1.00 0.00 S ATOM 0 H CYS A 41 -6.223 5.308 11.597 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.609 6.412 14.254 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.613 7.588 13.496 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.606 7.714 12.067 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.229 7.046 11.237 1.00 0.00 H new ATOM 555 N SER A 42 -7.897 3.772 12.955 1.00 0.00 N ATOM 556 CA SER A 42 -8.642 2.553 13.227 1.00 0.00 C ATOM 557 C SER A 42 -10.136 2.771 12.901 1.00 0.00 C ATOM 558 O SER A 42 -10.953 3.105 13.758 1.00 0.00 O ATOM 559 CB SER A 42 -8.371 2.004 14.645 1.00 0.00 C ATOM 560 OG SER A 42 -6.983 2.082 14.939 1.00 0.00 O ATOM 0 H SER A 42 -7.372 3.741 12.081 1.00 0.00 H new ATOM 0 HA SER A 42 -8.287 1.761 12.567 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.939 2.574 15.380 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.708 0.970 14.714 1.00 0.00 H new ATOM 0 HG SER A 42 -6.819 1.734 15.840 1.00 0.00 H new ATOM 566 N VAL A 43 -10.477 2.719 11.607 1.00 0.00 N ATOM 567 CA VAL A 43 -11.816 2.835 11.053 1.00 0.00 C ATOM 568 C VAL A 43 -11.836 1.869 9.880 1.00 0.00 C ATOM 569 O VAL A 43 -10.896 1.896 9.077 1.00 0.00 O ATOM 570 CB VAL A 43 -12.207 4.255 10.611 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.606 4.734 9.282 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.728 4.346 10.500 1.00 0.00 C ATOM 0 H VAL A 43 -9.774 2.586 10.880 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.555 2.600 11.819 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.794 4.907 11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.950 5.747 9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.518 4.727 9.351 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.923 4.069 8.479 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.010 5.351 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.083 3.624 9.765 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.177 4.128 11.469 1.00 0.00 H new ATOM 582 N SER A 44 -12.893 1.081 9.764 1.00 0.00 N ATOM 583 CA SER A 44 -13.084 0.101 8.719 1.00 0.00 C ATOM 584 C SER A 44 -12.951 0.705 7.320 1.00 0.00 C ATOM 585 O SER A 44 -13.516 1.764 7.003 1.00 0.00 O ATOM 586 CB SER A 44 -14.476 -0.507 8.912 1.00 0.00 C ATOM 587 OG SER A 44 -14.808 -1.470 7.934 1.00 0.00 O ATOM 0 H SER A 44 -13.670 1.112 10.424 1.00 0.00 H new ATOM 0 HA SER A 44 -12.307 -0.660 8.793 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.529 -0.968 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.219 0.291 8.893 1.00 0.00 H new ATOM 0 HG SER A 44 -15.705 -1.821 8.112 1.00 0.00 H new ATOM 593 N LEU A 45 -12.224 -0.022 6.475 1.00 0.00 N ATOM 594 CA LEU A 45 -11.971 0.275 5.066 1.00 0.00 C ATOM 595 C LEU A 45 -12.614 -0.826 4.190 1.00 0.00 C ATOM 596 O LEU A 45 -12.390 -0.866 2.983 1.00 0.00 O ATOM 597 CB LEU A 45 -10.461 0.429 4.802 1.00 0.00 C ATOM 598 CG LEU A 45 -9.807 1.678 5.421 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.310 1.696 5.088 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.453 2.989 4.947 1.00 0.00 C ATOM 0 H LEU A 45 -11.769 -0.885 6.772 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.429 1.228 4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.950 -0.455 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.298 0.450 3.724 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.959 1.615 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.850 2.581 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.836 0.802 5.493 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.178 1.718 4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.949 3.834 5.417 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.361 3.069 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.507 2.996 5.223 1.00 0.00 H new ATOM 612 N VAL A 46 -13.426 -1.707 4.784 1.00 0.00 N ATOM 613 CA VAL A 46 -14.109 -2.822 4.134 1.00 0.00 C ATOM 614 C VAL A 46 -14.962 -2.379 2.943 1.00 0.00 C ATOM 615 O VAL A 46 -16.020 -1.761 3.103 1.00 0.00 O ATOM 616 CB VAL A 46 -14.945 -3.602 5.169 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.697 -4.800 4.565 1.00 0.00 C ATOM 618 CG2 VAL A 46 -14.036 -4.149 6.274 1.00 0.00 C ATOM 0 H VAL A 46 -13.633 -1.656 5.782 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.345 -3.484 3.725 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.675 -2.891 5.556 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.265 -5.305 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.379 -4.449 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.981 -5.497 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.636 -4.698 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.294 -4.817 5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.531 -3.322 6.772 1.00 0.00 H new ATOM 628 N GLY A 47 -14.529 -2.763 1.744 1.00 0.00 N ATOM 629 CA GLY A 47 -15.225 -2.460 0.510 1.00 0.00 C ATOM 630 C GLY A 47 -15.437 -0.971 0.278 1.00 0.00 C ATOM 631 O GLY A 47 -16.556 -0.562 -0.023 1.00 0.00 O ATOM 0 H GLY A 47 -13.673 -3.300 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.660 -2.872 -0.326 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -16.194 -2.959 0.517 1.00 0.00 H new ATOM 635 N LYS A 48 -14.434 -0.131 0.525 1.00 0.00 N ATOM 636 CA LYS A 48 -14.528 1.303 0.273 1.00 0.00 C ATOM 637 C LYS A 48 -13.202 1.739 -0.323 1.00 0.00 C ATOM 638 O LYS A 48 -12.176 1.107 -0.053 1.00 0.00 O ATOM 639 CB LYS A 48 -14.945 2.129 1.503 1.00 0.00 C ATOM 640 CG LYS A 48 -13.864 2.262 2.577 1.00 0.00 C ATOM 641 CD LYS A 48 -14.227 3.282 3.659 1.00 0.00 C ATOM 642 CE LYS A 48 -15.417 2.826 4.506 1.00 0.00 C ATOM 643 NZ LYS A 48 -15.439 3.515 5.806 1.00 0.00 N ATOM 0 H LYS A 48 -13.535 -0.426 0.905 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.338 1.496 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.235 3.126 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -15.828 1.671 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.698 1.290 3.041 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.925 2.556 2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.365 3.446 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.461 4.238 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.345 3.024 3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.364 1.749 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.399 3.475 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.775 3.050 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.159 4.508 5.677 1.00 0.00 H new ATOM 657 N GLY A 49 -13.219 2.809 -1.114 1.00 0.00 N ATOM 658 CA GLY A 49 -11.998 3.310 -1.712 1.00 0.00 C ATOM 659 C GLY A 49 -11.071 3.720 -0.573 1.00 0.00 C ATOM 660 O GLY A 49 -11.519 4.383 0.370 1.00 0.00 O ATOM 0 H GLY A 49 -14.059 3.337 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.531 2.544 -2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.209 4.160 -2.361 1.00 0.00 H new ATOM 664 N PHE A 50 -9.802 3.343 -0.638 1.00 0.00 N ATOM 665 CA PHE A 50 -8.779 3.664 0.351 1.00 0.00 C ATOM 666 C PHE A 50 -7.640 4.389 -0.364 1.00 0.00 C ATOM 667 O PHE A 50 -7.683 4.565 -1.581 1.00 0.00 O ATOM 668 CB PHE A 50 -8.338 2.404 1.113 1.00 0.00 C ATOM 669 CG PHE A 50 -7.827 1.260 0.253 1.00 0.00 C ATOM 670 CD1 PHE A 50 -6.489 1.240 -0.185 1.00 0.00 C ATOM 671 CD2 PHE A 50 -8.690 0.203 -0.100 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.020 0.176 -0.977 1.00 0.00 C ATOM 673 CE2 PHE A 50 -8.223 -0.856 -0.897 1.00 0.00 C ATOM 674 CZ PHE A 50 -6.888 -0.871 -1.336 1.00 0.00 C ATOM 0 H PHE A 50 -9.441 2.783 -1.411 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.170 4.331 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.554 2.683 1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.182 2.043 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.821 2.044 0.088 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.714 0.207 0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.993 0.163 -1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.891 -1.659 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.529 -1.685 -1.948 1.00 0.00 H new ATOM 684 N LEU A 51 -6.676 4.921 0.383 1.00 0.00 N ATOM 685 CA LEU A 51 -5.519 5.627 -0.164 1.00 0.00 C ATOM 686 C LEU A 51 -4.308 4.828 0.262 1.00 0.00 C ATOM 687 O LEU A 51 -4.350 4.138 1.290 1.00 0.00 O ATOM 688 CB LEU A 51 -5.387 7.080 0.332 1.00 0.00 C ATOM 689 CG LEU A 51 -6.557 7.991 -0.081 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.621 7.934 1.003 1.00 0.00 C ATOM 691 CD2 LEU A 51 -6.122 9.453 -0.250 1.00 0.00 C ATOM 0 H LEU A 51 -6.676 4.873 1.402 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.624 5.703 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.309 7.076 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.458 7.502 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.935 7.635 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.458 8.575 0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.971 6.908 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.198 8.278 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.981 10.057 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.721 9.825 0.693 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.355 9.517 -1.021 1.00 0.00 H new ATOM 703 N THR A 52 -3.219 4.940 -0.482 1.00 0.00 N ATOM 704 CA THR A 52 -1.994 4.207 -0.169 1.00 0.00 C ATOM 705 C THR A 52 -0.772 5.048 -0.509 1.00 0.00 C ATOM 706 O THR A 52 -0.554 5.389 -1.671 1.00 0.00 O ATOM 707 CB THR A 52 -1.949 2.831 -0.855 1.00 0.00 C ATOM 708 OG1 THR A 52 -3.237 2.321 -1.149 1.00 0.00 O ATOM 709 CG2 THR A 52 -1.194 1.811 -0.006 1.00 0.00 C ATOM 0 H THR A 52 -3.155 5.532 -1.310 1.00 0.00 H new ATOM 0 HA THR A 52 -1.987 4.013 0.904 1.00 0.00 H new ATOM 0 HB THR A 52 -1.423 2.989 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.151 1.447 -1.584 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.180 0.849 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.171 2.153 0.150 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.691 1.701 0.958 1.00 0.00 H new ATOM 717 N GLN A 53 -0.024 5.456 0.511 1.00 0.00 N ATOM 718 CA GLN A 53 1.192 6.236 0.380 1.00 0.00 C ATOM 719 C GLN A 53 2.134 5.716 1.464 1.00 0.00 C ATOM 720 O GLN A 53 1.659 5.282 2.514 1.00 0.00 O ATOM 721 CB GLN A 53 0.867 7.734 0.531 1.00 0.00 C ATOM 722 CG GLN A 53 1.813 8.638 -0.268 1.00 0.00 C ATOM 723 CD GLN A 53 1.694 8.391 -1.773 1.00 0.00 C ATOM 724 OE1 GLN A 53 2.486 7.649 -2.351 1.00 0.00 O ATOM 725 NE2 GLN A 53 0.711 8.968 -2.434 1.00 0.00 N ATOM 0 H GLN A 53 -0.259 5.244 1.481 1.00 0.00 H new ATOM 0 HA GLN A 53 1.663 6.133 -0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.158 7.912 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.918 8.006 1.585 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.588 9.682 -0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.841 8.461 0.050 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.059 9.582 -1.945 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.602 8.801 -3.434 1.00 0.00 H new ATOM 734 N ASN A 54 3.454 5.766 1.258 1.00 0.00 N ATOM 735 CA ASN A 54 4.450 5.291 2.234 1.00 0.00 C ATOM 736 C ASN A 54 4.209 3.829 2.660 1.00 0.00 C ATOM 737 O ASN A 54 4.664 3.421 3.728 1.00 0.00 O ATOM 738 CB ASN A 54 4.507 6.217 3.472 1.00 0.00 C ATOM 739 CG ASN A 54 4.782 7.671 3.144 1.00 0.00 C ATOM 740 OD1 ASN A 54 5.925 8.115 3.209 1.00 0.00 O ATOM 741 ND2 ASN A 54 3.774 8.443 2.787 1.00 0.00 N ATOM 0 H ASN A 54 3.868 6.139 0.404 1.00 0.00 H new ATOM 0 HA ASN A 54 5.416 5.324 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.560 6.149 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.282 5.855 4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.938 9.424 2.560 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.830 8.059 2.738 1.00 0.00 H new ATOM 748 N LYS A 55 3.513 3.043 1.826 1.00 0.00 N ATOM 749 CA LYS A 55 3.138 1.638 2.018 1.00 0.00 C ATOM 750 C LYS A 55 2.067 1.444 3.100 1.00 0.00 C ATOM 751 O LYS A 55 1.764 0.298 3.446 1.00 0.00 O ATOM 752 CB LYS A 55 4.357 0.714 2.222 1.00 0.00 C ATOM 753 CG LYS A 55 5.378 0.808 1.075 1.00 0.00 C ATOM 754 CD LYS A 55 6.499 -0.233 1.188 1.00 0.00 C ATOM 755 CE LYS A 55 7.274 -0.159 2.516 1.00 0.00 C ATOM 756 NZ LYS A 55 8.254 -1.255 2.634 1.00 0.00 N ATOM 0 H LYS A 55 3.173 3.401 0.934 1.00 0.00 H new ATOM 0 HA LYS A 55 2.676 1.329 1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.848 0.971 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.014 -0.317 2.313 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.862 0.677 0.124 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.815 1.806 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.071 -1.230 1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.196 -0.096 0.361 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.789 0.799 2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.574 -0.205 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.758 -1.174 3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.759 -2.169 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.937 -1.196 1.852 1.00 0.00 H new ATOM 770 N GLU A 56 1.464 2.509 3.627 1.00 0.00 N ATOM 771 CA GLU A 56 0.426 2.447 4.654 1.00 0.00 C ATOM 772 C GLU A 56 -0.922 2.783 4.007 1.00 0.00 C ATOM 773 O GLU A 56 -0.973 3.532 3.025 1.00 0.00 O ATOM 774 CB GLU A 56 0.790 3.394 5.807 1.00 0.00 C ATOM 775 CG GLU A 56 2.046 2.913 6.566 1.00 0.00 C ATOM 776 CD GLU A 56 2.544 3.903 7.625 1.00 0.00 C ATOM 777 OE1 GLU A 56 1.721 4.634 8.217 1.00 0.00 O ATOM 778 OE2 GLU A 56 3.775 3.955 7.880 1.00 0.00 O ATOM 0 H GLU A 56 1.690 3.463 3.344 1.00 0.00 H new ATOM 0 HA GLU A 56 0.349 1.447 5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.964 4.396 5.414 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.049 3.464 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.826 1.960 7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.846 2.730 5.848 1.00 0.00 H new ATOM 785 N ILE A 57 -2.016 2.237 4.546 1.00 0.00 N ATOM 786 CA ILE A 57 -3.383 2.424 4.055 1.00 0.00 C ATOM 787 C ILE A 57 -4.128 3.425 4.945 1.00 0.00 C ATOM 788 O ILE A 57 -4.170 3.288 6.172 1.00 0.00 O ATOM 789 CB ILE A 57 -4.128 1.068 3.962 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.040 0.232 5.262 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.595 0.275 2.754 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.953 -0.998 5.278 1.00 0.00 C ATOM 0 H ILE A 57 -1.972 1.631 5.365 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.344 2.836 3.047 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.187 1.284 3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.009 -0.092 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.293 0.870 6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.117 -0.679 2.686 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.763 0.846 1.841 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.527 0.096 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.832 -1.529 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.991 -0.682 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.687 -1.659 4.453 1.00 0.00 H new ATOM 804 N PHE A 58 -4.767 4.436 4.350 1.00 0.00 N ATOM 805 CA PHE A 58 -5.491 5.452 5.103 1.00 0.00 C ATOM 806 C PHE A 58 -6.870 5.739 4.517 1.00 0.00 C ATOM 807 O PHE A 58 -7.173 5.395 3.376 1.00 0.00 O ATOM 808 CB PHE A 58 -4.666 6.751 5.160 1.00 0.00 C ATOM 809 CG PHE A 58 -3.237 6.640 5.680 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.942 5.980 6.889 1.00 0.00 C ATOM 811 CD2 PHE A 58 -2.189 7.240 4.954 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.613 5.892 7.337 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.864 7.169 5.413 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.577 6.498 6.608 1.00 0.00 C ATOM 0 H PHE A 58 -4.795 4.569 3.339 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.641 5.062 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.629 7.174 4.156 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.200 7.465 5.787 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.738 5.541 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.408 7.761 4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.387 5.356 8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.069 7.630 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.440 6.447 6.969 1.00 0.00 H new ATOM 824 N CYS A 59 -7.731 6.336 5.355 1.00 0.00 N ATOM 825 CA CYS A 59 -9.089 6.716 4.940 1.00 0.00 C ATOM 826 C CYS A 59 -8.904 8.108 4.283 1.00 0.00 C ATOM 827 O CYS A 59 -7.955 8.799 4.670 1.00 0.00 O ATOM 828 CB CYS A 59 -10.081 6.899 6.128 1.00 0.00 C ATOM 829 SG CYS A 59 -10.283 8.561 6.767 1.00 0.00 S ATOM 0 H CYS A 59 -7.510 6.566 6.324 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.507 5.938 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.059 6.536 5.812 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.752 6.259 6.946 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.138 8.549 7.746 1.00 0.00 H new ATOM 834 N GLN A 60 -9.845 8.598 3.467 1.00 0.00 N ATOM 835 CA GLN A 60 -9.787 9.913 2.804 1.00 0.00 C ATOM 836 C GLN A 60 -9.507 11.038 3.807 1.00 0.00 C ATOM 837 O GLN A 60 -8.534 11.767 3.642 1.00 0.00 O ATOM 838 CB GLN A 60 -11.073 10.185 1.993 1.00 0.00 C ATOM 839 CG GLN A 60 -11.194 9.384 0.683 1.00 0.00 C ATOM 840 CD GLN A 60 -11.381 7.882 0.880 1.00 0.00 C ATOM 841 OE1 GLN A 60 -11.936 7.427 1.886 1.00 0.00 O ATOM 842 NE2 GLN A 60 -10.889 7.072 -0.036 1.00 0.00 N ATOM 0 H GLN A 60 -10.693 8.078 3.241 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.953 9.892 2.103 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.935 9.960 2.620 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.119 11.248 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.037 9.771 0.111 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.299 9.551 0.084 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -10.432 7.455 -0.864 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.965 6.062 0.083 1.00 0.00 H new ATOM 851 N LYS A 61 -10.270 11.130 4.903 1.00 0.00 N ATOM 852 CA LYS A 61 -10.084 12.166 5.933 1.00 0.00 C ATOM 853 C LYS A 61 -8.644 12.213 6.462 1.00 0.00 C ATOM 854 O LYS A 61 -8.155 13.266 6.853 1.00 0.00 O ATOM 855 CB LYS A 61 -11.032 11.957 7.120 1.00 0.00 C ATOM 856 CG LYS A 61 -12.515 11.821 6.768 1.00 0.00 C ATOM 857 CD LYS A 61 -13.349 11.411 7.994 1.00 0.00 C ATOM 858 CE LYS A 61 -13.947 12.580 8.778 1.00 0.00 C ATOM 859 NZ LYS A 61 -12.960 13.506 9.370 1.00 0.00 N ATOM 0 H LYS A 61 -11.036 10.488 5.103 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.311 13.113 5.442 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.721 11.061 7.656 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.916 12.796 7.806 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.885 12.768 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.636 11.079 5.979 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.159 10.760 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.721 10.825 8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -14.601 13.146 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.572 12.180 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.446 14.172 10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.256 12.964 9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.482 14.035 8.613 1.00 0.00 H new ATOM 873 N CYS A 62 -8.015 11.044 6.628 1.00 0.00 N ATOM 874 CA CYS A 62 -6.633 10.958 7.084 1.00 0.00 C ATOM 875 C CYS A 62 -5.709 11.339 5.921 1.00 0.00 C ATOM 876 O CYS A 62 -4.900 12.254 6.060 1.00 0.00 O ATOM 877 CB CYS A 62 -6.274 9.618 7.766 1.00 0.00 C ATOM 878 SG CYS A 62 -6.434 9.532 9.549 1.00 0.00 S ATOM 0 H CYS A 62 -8.451 10.139 6.450 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.488 11.675 7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.904 8.840 7.333 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.243 9.374 7.508 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.634 8.299 9.908 1.00 0.00 H new ATOM 883 N GLY A 63 -5.855 10.698 4.761 1.00 0.00 N ATOM 884 CA GLY A 63 -5.055 10.953 3.569 1.00 0.00 C ATOM 885 C GLY A 63 -5.376 12.282 2.878 1.00 0.00 C ATOM 886 O GLY A 63 -5.060 12.437 1.704 1.00 0.00 O ATOM 0 H GLY A 63 -6.553 9.967 4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.000 10.943 3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.208 10.140 2.860 1.00 0.00 H new ATOM 890 N SER A 64 -6.009 13.234 3.564 1.00 0.00 N ATOM 891 CA SER A 64 -6.360 14.524 2.998 1.00 0.00 C ATOM 892 C SER A 64 -5.113 15.351 2.685 1.00 0.00 C ATOM 893 O SER A 64 -5.129 16.125 1.729 1.00 0.00 O ATOM 894 CB SER A 64 -7.240 15.292 3.997 1.00 0.00 C ATOM 895 OG SER A 64 -8.468 15.689 3.421 1.00 0.00 O ATOM 0 H SER A 64 -6.293 13.124 4.538 1.00 0.00 H new ATOM 0 HA SER A 64 -6.901 14.354 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.433 14.665 4.867 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.704 16.172 4.351 1.00 0.00 H new ATOM 0 HG SER A 64 -9.000 16.173 4.087 1.00 0.00 H new ATOM 901 N GLY A 65 -4.034 15.176 3.451 1.00 0.00 N ATOM 902 CA GLY A 65 -2.813 15.928 3.253 1.00 0.00 C ATOM 903 C GLY A 65 -2.819 17.179 4.123 1.00 0.00 C ATOM 904 O GLY A 65 -3.740 17.421 4.918 1.00 0.00 O ATOM 0 H GLY A 65 -3.991 14.509 4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.951 15.308 3.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.715 16.206 2.204 1.00 0.00 H new ATOM 908 N MET A 66 -1.751 17.953 3.980 1.00 0.00 N ATOM 909 CA MET A 66 -1.514 19.204 4.688 1.00 0.00 C ATOM 910 C MET A 66 -1.248 20.291 3.651 1.00 0.00 C ATOM 911 O MET A 66 -2.010 21.246 3.561 1.00 0.00 O ATOM 912 CB MET A 66 -0.392 19.035 5.736 1.00 0.00 C ATOM 913 CG MET A 66 0.935 18.495 5.177 1.00 0.00 C ATOM 914 SD MET A 66 2.240 18.250 6.386 1.00 0.00 S ATOM 915 CE MET A 66 3.590 17.832 5.254 1.00 0.00 C ATOM 0 H MET A 66 -0.993 17.716 3.340 1.00 0.00 H new ATOM 0 HA MET A 66 -2.388 19.507 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.206 20.000 6.207 1.00 0.00 H new ATOM 0 HB3 MET A 66 -0.742 18.361 6.517 1.00 0.00 H new ATOM 0 HG2 MET A 66 0.740 17.544 4.681 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.295 19.185 4.414 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.499 17.643 5.826 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.326 16.940 4.686 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.759 18.662 4.568 1.00 0.00 H new ATOM 925 N ASP A 67 -0.197 20.106 2.846 1.00 0.00 N ATOM 926 CA ASP A 67 0.281 20.979 1.771 1.00 0.00 C ATOM 927 C ASP A 67 0.395 22.447 2.201 1.00 0.00 C ATOM 928 O ASP A 67 0.299 23.353 1.376 1.00 0.00 O ATOM 929 CB ASP A 67 -0.537 20.729 0.491 1.00 0.00 C ATOM 930 CG ASP A 67 -0.434 19.283 0.001 1.00 0.00 C ATOM 931 OD1 ASP A 67 0.522 18.562 0.381 1.00 0.00 O ATOM 932 OD2 ASP A 67 -1.310 18.828 -0.771 1.00 0.00 O ATOM 0 H ASP A 67 0.388 19.275 2.937 1.00 0.00 H new ATOM 0 HA ASP A 67 1.312 20.718 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.583 20.971 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.190 21.401 -0.294 1.00 0.00 H new ATOM 937 N THR A 68 0.617 22.669 3.498 1.00 0.00 N ATOM 938 CA THR A 68 0.757 23.952 4.149 1.00 0.00 C ATOM 939 C THR A 68 2.021 24.664 3.666 1.00 0.00 C ATOM 940 O THR A 68 3.143 24.188 3.858 1.00 0.00 O ATOM 941 CB THR A 68 0.714 23.727 5.674 1.00 0.00 C ATOM 942 OG1 THR A 68 1.384 22.531 6.073 1.00 0.00 O ATOM 943 CG2 THR A 68 -0.747 23.590 6.111 1.00 0.00 C ATOM 0 H THR A 68 0.708 21.897 4.158 1.00 0.00 H new ATOM 0 HA THR A 68 -0.066 24.618 3.888 1.00 0.00 H new ATOM 0 HB THR A 68 1.212 24.579 6.136 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.330 22.435 7.047 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.791 23.430 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.290 24.500 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.202 22.742 5.600 1.00 0.00 H new ATOM 951 N ASP A 69 1.818 25.773 2.969 1.00 0.00 N ATOM 952 CA ASP A 69 2.829 26.646 2.403 1.00 0.00 C ATOM 953 C ASP A 69 3.364 27.605 3.466 1.00 0.00 C ATOM 954 O ASP A 69 2.661 27.968 4.410 1.00 0.00 O ATOM 955 CB ASP A 69 2.221 27.441 1.235 1.00 0.00 C ATOM 956 CG ASP A 69 1.013 28.321 1.586 1.00 0.00 C ATOM 957 OD1 ASP A 69 0.115 27.853 2.329 1.00 0.00 O ATOM 958 OD2 ASP A 69 0.908 29.422 1.011 1.00 0.00 O ATOM 0 H ASP A 69 0.875 26.107 2.772 1.00 0.00 H new ATOM 0 HA ASP A 69 3.658 26.040 2.038 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.998 28.076 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.921 26.738 0.458 1.00 0.00 H new ATOM 963 N ILE A 70 4.633 27.986 3.320 1.00 0.00 N ATOM 964 CA ILE A 70 5.391 28.900 4.173 1.00 0.00 C ATOM 965 C ILE A 70 6.452 29.601 3.310 1.00 0.00 C ATOM 966 O ILE A 70 6.818 29.097 2.243 1.00 0.00 O ATOM 967 CB ILE A 70 6.079 28.151 5.348 1.00 0.00 C ATOM 968 CG1 ILE A 70 7.015 27.004 4.884 1.00 0.00 C ATOM 969 CG2 ILE A 70 5.057 27.631 6.379 1.00 0.00 C ATOM 970 CD1 ILE A 70 8.014 26.566 5.961 1.00 0.00 C ATOM 0 H ILE A 70 5.199 27.638 2.546 1.00 0.00 H new ATOM 0 HA ILE A 70 4.705 29.627 4.607 1.00 0.00 H new ATOM 0 HB ILE A 70 6.709 28.897 5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.410 26.147 4.589 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.563 27.327 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.582 27.114 7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.498 28.470 6.792 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.368 26.940 5.892 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.638 25.761 5.573 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.643 27.412 6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 70 7.472 26.213 6.838 1.00 0.00 H new ATOM 982 N SER A 71 6.957 30.744 3.776 1.00 0.00 N ATOM 983 CA SER A 71 7.992 31.511 3.091 1.00 0.00 C ATOM 984 C SER A 71 9.366 30.878 3.377 1.00 0.00 C ATOM 985 O SER A 71 9.463 29.876 4.095 1.00 0.00 O ATOM 986 CB SER A 71 7.960 32.966 3.585 1.00 0.00 C ATOM 987 OG SER A 71 6.634 33.454 3.697 1.00 0.00 O ATOM 0 H SER A 71 6.652 31.167 4.653 1.00 0.00 H new ATOM 0 HA SER A 71 7.813 31.500 2.016 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.455 33.032 4.554 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.523 33.596 2.896 1.00 0.00 H new ATOM 0 HG SER A 71 6.652 34.381 4.015 1.00 0.00 H new ATOM 993 N GLY A 72 10.442 31.442 2.821 1.00 0.00 N ATOM 994 CA GLY A 72 11.802 30.959 3.031 1.00 0.00 C ATOM 995 C GLY A 72 12.642 32.091 3.624 1.00 0.00 C ATOM 996 O GLY A 72 12.409 33.244 3.274 1.00 0.00 O ATOM 0 H GLY A 72 10.389 32.255 2.207 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.798 30.101 3.703 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.233 30.624 2.088 1.00 0.00 H new ATOM 1000 N PRO A 73 13.670 31.816 4.448 1.00 0.00 N ATOM 1001 CA PRO A 73 14.517 32.856 5.046 1.00 0.00 C ATOM 1002 C PRO A 73 15.422 33.581 4.029 1.00 0.00 C ATOM 1003 O PRO A 73 16.244 34.409 4.410 1.00 0.00 O ATOM 1004 CB PRO A 73 15.315 32.140 6.142 1.00 0.00 C ATOM 1005 CG PRO A 73 15.403 30.703 5.632 1.00 0.00 C ATOM 1006 CD PRO A 73 14.060 30.501 4.932 1.00 0.00 C ATOM 0 HA PRO A 73 13.908 33.665 5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 73 16.303 32.581 6.273 1.00 0.00 H new ATOM 0 HB3 PRO A 73 14.811 32.194 7.107 1.00 0.00 H new ATOM 0 HG2 PRO A 73 16.239 30.569 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 73 15.543 29.994 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.149 29.791 4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 73 13.316 30.100 5.620 1.00 0.00 H new ATOM 1014 N SER A 74 15.281 33.267 2.744 1.00 0.00 N ATOM 1015 CA SER A 74 16.003 33.814 1.608 1.00 0.00 C ATOM 1016 C SER A 74 15.030 34.368 0.550 1.00 0.00 C ATOM 1017 O SER A 74 15.475 34.828 -0.499 1.00 0.00 O ATOM 1018 CB SER A 74 16.895 32.697 1.049 1.00 0.00 C ATOM 1019 OG SER A 74 16.187 31.464 0.973 1.00 0.00 O ATOM 0 H SER A 74 14.602 32.565 2.451 1.00 0.00 H new ATOM 0 HA SER A 74 16.623 34.657 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.253 32.976 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.773 32.577 1.684 1.00 0.00 H new ATOM 0 HG SER A 74 16.777 30.770 0.612 1.00 0.00 H new ATOM 1025 N SER A 75 13.715 34.280 0.791 1.00 0.00 N ATOM 1026 CA SER A 75 12.640 34.734 -0.074 1.00 0.00 C ATOM 1027 C SER A 75 11.375 34.672 0.788 1.00 0.00 C ATOM 1028 O SER A 75 10.652 33.669 0.772 1.00 0.00 O ATOM 1029 CB SER A 75 12.567 33.832 -1.321 1.00 0.00 C ATOM 1030 OG SER A 75 11.494 34.183 -2.172 1.00 0.00 O ATOM 0 H SER A 75 13.361 33.862 1.652 1.00 0.00 H new ATOM 0 HA SER A 75 12.784 35.747 -0.450 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.504 33.902 -1.873 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.457 32.793 -1.010 1.00 0.00 H new ATOM 0 HG SER A 75 11.485 33.588 -2.950 1.00 0.00 H new ATOM 1036 N GLY A 76 11.127 35.722 1.563 1.00 0.00 N ATOM 1037 CA GLY A 76 9.999 35.864 2.459 1.00 0.00 C ATOM 1038 C GLY A 76 10.110 37.207 3.154 1.00 0.00 C ATOM 1039 O GLY A 76 9.292 37.420 4.069 1.00 0.00 O ATOM 0 H GLY A 76 11.742 36.535 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.063 35.800 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.992 35.057 3.191 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -7.689 -10.813 11.813 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -9.111 8.083 9.414 1.00 0.00 ZN