USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 703 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 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 72 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 130:sc= 0 USER MOD Set 2.1: A 44 TYR OH : rot 130:sc= 0.134 USER MOD Set 2.2: A 51 SER OG : rot -94:sc= 0.138 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 167:sc= 0.245 (180deg=0) USER MOD Set 3.2: A 41 THR OG1 : rot 180:sc= 0.236 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0906 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0126 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-3.6!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 26:sc= 0.0359 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot -46:sc= -0.219 USER MOD Single : A 32 THR OG1 : rot -40:sc= 0.575 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -112:sc=-0.00372 (180deg=-0.464) USER MOD Single : A 49 SER OG : rot 180:sc= -0.107 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0282) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 169:sc=-0.00534 (180deg=-0.115) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 77 SER OG : rot 77:sc= 0.186 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 85:sc= 0.403 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 35:sc= 0.343 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.751 32.091 -6.487 1.00 0.00 N ATOM 2 CA GLY A 1 -0.700 31.087 -5.440 1.00 0.00 C ATOM 3 C GLY A 1 -0.057 29.796 -5.906 1.00 0.00 C ATOM 4 O GLY A 1 0.370 29.686 -7.055 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.193 32.920 -6.200 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.358 31.697 -7.366 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.738 32.376 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.143 31.481 -4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.711 30.880 -5.090 1.00 0.00 H new ATOM 8 N SER A 2 0.013 28.815 -5.011 1.00 0.00 N ATOM 9 CA SER A 2 0.614 27.526 -5.335 1.00 0.00 C ATOM 10 C SER A 2 0.379 26.520 -4.213 1.00 0.00 C ATOM 11 O SER A 2 -0.142 26.867 -3.153 1.00 0.00 O ATOM 12 CB SER A 2 2.114 27.688 -5.585 1.00 0.00 C ATOM 13 OG SER A 2 2.650 26.545 -6.229 1.00 0.00 O ATOM 0 H SER A 2 -0.339 28.888 -4.056 1.00 0.00 H new ATOM 0 HA SER A 2 0.141 27.149 -6.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.290 28.571 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.628 27.850 -4.638 1.00 0.00 H new ATOM 0 HG SER A 2 3.610 26.674 -6.379 1.00 0.00 H new ATOM 19 N SER A 3 0.767 25.272 -4.454 1.00 0.00 N ATOM 20 CA SER A 3 0.596 24.214 -3.466 1.00 0.00 C ATOM 21 C SER A 3 1.503 23.027 -3.778 1.00 0.00 C ATOM 22 O SER A 3 2.226 23.029 -4.774 1.00 0.00 O ATOM 23 CB SER A 3 -0.863 23.757 -3.424 1.00 0.00 C ATOM 24 OG SER A 3 -1.265 23.218 -4.672 1.00 0.00 O ATOM 0 H SER A 3 1.202 24.969 -5.325 1.00 0.00 H new ATOM 0 HA SER A 3 0.872 24.614 -2.491 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.990 23.008 -2.643 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.504 24.600 -3.165 1.00 0.00 H new ATOM 0 HG SER A 3 -2.201 22.932 -4.619 1.00 0.00 H new ATOM 30 N GLY A 4 1.459 22.014 -2.918 1.00 0.00 N ATOM 31 CA GLY A 4 2.281 20.835 -3.119 1.00 0.00 C ATOM 32 C GLY A 4 1.541 19.551 -2.800 1.00 0.00 C ATOM 33 O GLY A 4 0.474 19.578 -2.186 1.00 0.00 O ATOM 0 H GLY A 4 0.869 21.989 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.623 20.806 -4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.170 20.904 -2.492 1.00 0.00 H new ATOM 37 N SER A 5 2.107 18.424 -3.219 1.00 0.00 N ATOM 38 CA SER A 5 1.491 17.124 -2.979 1.00 0.00 C ATOM 39 C SER A 5 2.458 15.994 -3.315 1.00 0.00 C ATOM 40 O SER A 5 3.531 16.225 -3.873 1.00 0.00 O ATOM 41 CB SER A 5 0.213 16.981 -3.808 1.00 0.00 C ATOM 42 OG SER A 5 0.512 16.648 -5.152 1.00 0.00 O ATOM 0 H SER A 5 2.991 18.385 -3.726 1.00 0.00 H new ATOM 0 HA SER A 5 1.238 17.059 -1.921 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.423 16.210 -3.372 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.350 17.914 -3.778 1.00 0.00 H new ATOM 0 HG SER A 5 -0.321 16.561 -5.660 1.00 0.00 H new ATOM 48 N SER A 6 2.071 14.769 -2.971 1.00 0.00 N ATOM 49 CA SER A 6 2.905 13.602 -3.232 1.00 0.00 C ATOM 50 C SER A 6 2.089 12.485 -3.876 1.00 0.00 C ATOM 51 O SER A 6 0.880 12.387 -3.672 1.00 0.00 O ATOM 52 CB SER A 6 3.540 13.102 -1.934 1.00 0.00 C ATOM 53 OG SER A 6 4.788 13.731 -1.700 1.00 0.00 O ATOM 0 H SER A 6 1.185 14.560 -2.511 1.00 0.00 H new ATOM 0 HA SER A 6 3.694 13.897 -3.923 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.868 13.298 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.678 12.022 -1.986 1.00 0.00 H new ATOM 0 HG SER A 6 5.172 13.395 -0.863 1.00 0.00 H new ATOM 59 N GLY A 7 2.761 11.644 -4.656 1.00 0.00 N ATOM 60 CA GLY A 7 2.084 10.545 -5.319 1.00 0.00 C ATOM 61 C GLY A 7 2.730 9.205 -5.026 1.00 0.00 C ATOM 62 O GLY A 7 3.837 8.913 -5.478 1.00 0.00 O ATOM 0 H GLY A 7 3.762 11.704 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.042 10.520 -5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.085 10.718 -6.395 1.00 0.00 H new ATOM 66 N PRO A 8 2.031 8.363 -4.250 1.00 0.00 N ATOM 67 CA PRO A 8 2.524 7.034 -3.879 1.00 0.00 C ATOM 68 C PRO A 8 2.551 6.074 -5.064 1.00 0.00 C ATOM 69 O PRO A 8 1.903 6.312 -6.084 1.00 0.00 O ATOM 70 CB PRO A 8 1.513 6.561 -2.831 1.00 0.00 C ATOM 71 CG PRO A 8 0.264 7.309 -3.144 1.00 0.00 C ATOM 72 CD PRO A 8 0.704 8.645 -3.676 1.00 0.00 C ATOM 0 HA PRO A 8 3.551 7.067 -3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.355 5.484 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.860 6.776 -1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.337 6.775 -3.880 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.353 7.428 -2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.013 9.025 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.759 9.394 -2.886 1.00 0.00 H new ATOM 80 N HIS A 9 3.305 4.988 -4.923 1.00 0.00 N ATOM 81 CA HIS A 9 3.416 3.992 -5.982 1.00 0.00 C ATOM 82 C HIS A 9 2.384 2.883 -5.795 1.00 0.00 C ATOM 83 O HIS A 9 2.034 2.530 -4.669 1.00 0.00 O ATOM 84 CB HIS A 9 4.823 3.396 -6.005 1.00 0.00 C ATOM 85 CG HIS A 9 5.793 4.181 -6.833 1.00 0.00 C ATOM 86 ND1 HIS A 9 6.776 3.594 -7.601 1.00 0.00 N ATOM 87 CD2 HIS A 9 5.926 5.517 -7.011 1.00 0.00 C ATOM 88 CE1 HIS A 9 7.473 4.534 -8.215 1.00 0.00 C ATOM 89 NE2 HIS A 9 6.977 5.709 -7.874 1.00 0.00 N ATOM 0 H HIS A 9 3.848 4.776 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 9 3.224 4.487 -6.934 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.198 3.332 -4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 9 4.771 2.377 -6.390 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.319 6.287 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.306 4.369 -8.882 1.00 0.00 H new ATOM 0 HE2 HIS A 9 7.319 6.613 -8.199 1.00 0.00 H new ATOM 97 N LYS A 10 1.901 2.338 -6.906 1.00 0.00 N ATOM 98 CA LYS A 10 0.909 1.269 -6.866 1.00 0.00 C ATOM 99 C LYS A 10 1.448 0.003 -7.523 1.00 0.00 C ATOM 100 O LYS A 10 1.793 0.003 -8.705 1.00 0.00 O ATOM 101 CB LYS A 10 -0.377 1.712 -7.566 1.00 0.00 C ATOM 102 CG LYS A 10 -1.505 0.700 -7.464 1.00 0.00 C ATOM 103 CD LYS A 10 -2.850 1.329 -7.784 1.00 0.00 C ATOM 104 CE LYS A 10 -4.001 0.462 -7.297 1.00 0.00 C ATOM 105 NZ LYS A 10 -4.352 -0.598 -8.283 1.00 0.00 N ATOM 0 H LYS A 10 2.180 2.619 -7.846 1.00 0.00 H new ATOM 0 HA LYS A 10 0.689 1.050 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.708 2.657 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.162 1.899 -8.618 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.317 -0.126 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.529 0.281 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.912 2.313 -7.319 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.936 1.479 -8.860 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.731 -0.000 -6.347 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.874 1.088 -7.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.140 -1.167 -7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.634 -0.157 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.527 -1.211 -8.442 1.00 0.00 H new ATOM 119 N CYS A 11 1.517 -1.076 -6.750 1.00 0.00 N ATOM 120 CA CYS A 11 2.013 -2.350 -7.257 1.00 0.00 C ATOM 121 C CYS A 11 1.300 -2.735 -8.550 1.00 0.00 C ATOM 122 O CYS A 11 0.312 -2.110 -8.936 1.00 0.00 O ATOM 123 CB CYS A 11 1.821 -3.449 -6.210 1.00 0.00 C ATOM 124 SG CYS A 11 3.053 -4.787 -6.303 1.00 0.00 S ATOM 0 H CYS A 11 1.236 -1.093 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 11 3.077 -2.240 -7.468 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.861 -3.001 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.826 -3.877 -6.327 1.00 0.00 H new ATOM 129 N GLU A 12 1.808 -3.769 -9.214 1.00 0.00 N ATOM 130 CA GLU A 12 1.220 -4.236 -10.464 1.00 0.00 C ATOM 131 C GLU A 12 0.974 -5.742 -10.420 1.00 0.00 C ATOM 132 O GLU A 12 0.100 -6.260 -11.114 1.00 0.00 O ATOM 133 CB GLU A 12 2.132 -3.892 -11.643 1.00 0.00 C ATOM 134 CG GLU A 12 1.578 -4.328 -12.989 1.00 0.00 C ATOM 135 CD GLU A 12 0.560 -3.351 -13.545 1.00 0.00 C ATOM 136 OE1 GLU A 12 -0.119 -2.680 -12.741 1.00 0.00 O ATOM 137 OE2 GLU A 12 0.444 -3.258 -14.785 1.00 0.00 O ATOM 0 H GLU A 12 2.624 -4.298 -8.908 1.00 0.00 H new ATOM 0 HA GLU A 12 0.263 -3.732 -10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.299 -2.815 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.103 -4.363 -11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.399 -4.435 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.116 -5.310 -12.887 1.00 0.00 H new ATOM 144 N VAL A 13 1.753 -6.439 -9.598 1.00 0.00 N ATOM 145 CA VAL A 13 1.620 -7.884 -9.461 1.00 0.00 C ATOM 146 C VAL A 13 0.370 -8.249 -8.668 1.00 0.00 C ATOM 147 O VAL A 13 -0.328 -9.209 -8.995 1.00 0.00 O ATOM 148 CB VAL A 13 2.852 -8.498 -8.770 1.00 0.00 C ATOM 149 CG1 VAL A 13 3.998 -8.651 -9.757 1.00 0.00 C ATOM 150 CG2 VAL A 13 3.272 -7.649 -7.579 1.00 0.00 C ATOM 0 H VAL A 13 2.483 -6.026 -9.017 1.00 0.00 H new ATOM 0 HA VAL A 13 1.538 -8.291 -10.469 1.00 0.00 H new ATOM 0 HB VAL A 13 2.586 -9.490 -8.405 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.859 -9.086 -9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.690 -9.303 -10.574 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.268 -7.673 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 13 4.144 -8.097 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.521 -6.644 -7.919 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.453 -7.597 -6.862 1.00 0.00 H new ATOM 160 N CYS A 14 0.094 -7.477 -7.623 1.00 0.00 N ATOM 161 CA CYS A 14 -1.072 -7.717 -6.781 1.00 0.00 C ATOM 162 C CYS A 14 -1.994 -6.501 -6.767 1.00 0.00 C ATOM 163 O CYS A 14 -3.209 -6.628 -6.910 1.00 0.00 O ATOM 164 CB CYS A 14 -0.636 -8.056 -5.354 1.00 0.00 C ATOM 165 SG CYS A 14 0.091 -6.654 -4.446 1.00 0.00 S ATOM 0 H CYS A 14 0.662 -6.679 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.621 -8.562 -7.197 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.499 -8.426 -4.800 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.091 -8.867 -5.391 1.00 0.00 H new ATOM 170 N GLY A 15 -1.405 -5.321 -6.595 1.00 0.00 N ATOM 171 CA GLY A 15 -2.188 -4.099 -6.566 1.00 0.00 C ATOM 172 C GLY A 15 -2.348 -3.546 -5.164 1.00 0.00 C ATOM 173 O GLY A 15 -3.468 -3.359 -4.686 1.00 0.00 O ATOM 0 H GLY A 15 -0.401 -5.190 -6.475 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.709 -3.350 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.173 -4.292 -6.992 1.00 0.00 H new ATOM 177 N LYS A 16 -1.227 -3.285 -4.500 1.00 0.00 N ATOM 178 CA LYS A 16 -1.247 -2.751 -3.144 1.00 0.00 C ATOM 179 C LYS A 16 -0.849 -1.279 -3.133 1.00 0.00 C ATOM 180 O LYS A 16 -0.118 -0.817 -4.010 1.00 0.00 O ATOM 181 CB LYS A 16 -0.302 -3.552 -2.245 1.00 0.00 C ATOM 182 CG LYS A 16 -0.726 -3.577 -0.786 1.00 0.00 C ATOM 183 CD LYS A 16 -1.683 -4.722 -0.503 1.00 0.00 C ATOM 184 CE LYS A 16 -1.884 -4.924 0.991 1.00 0.00 C ATOM 185 NZ LYS A 16 -3.187 -5.581 1.292 1.00 0.00 N ATOM 0 H LYS A 16 -0.292 -3.435 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.264 -2.837 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.243 -4.576 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.700 -3.129 -2.316 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.155 -3.673 -0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.203 -2.631 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.644 -4.520 -0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.296 -5.639 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.071 -5.532 1.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.838 -3.960 1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.286 -5.701 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.965 -4.989 0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.221 -6.512 0.830 1.00 0.00 H new ATOM 199 N CYS A 17 -1.333 -0.547 -2.136 1.00 0.00 N ATOM 200 CA CYS A 17 -1.028 0.873 -2.011 1.00 0.00 C ATOM 201 C CYS A 17 -0.017 1.116 -0.895 1.00 0.00 C ATOM 202 O CYS A 17 -0.042 0.444 0.137 1.00 0.00 O ATOM 203 CB CYS A 17 -2.305 1.669 -1.740 1.00 0.00 C ATOM 204 SG CYS A 17 -3.175 1.179 -0.233 1.00 0.00 S ATOM 0 H CYS A 17 -1.939 -0.914 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.592 1.209 -2.952 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.053 2.727 -1.673 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.979 1.554 -2.589 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.330 0.659 0.607 1.00 0.00 H new ATOM 210 N PHE A 18 0.873 2.080 -1.109 1.00 0.00 N ATOM 211 CA PHE A 18 1.895 2.409 -0.122 1.00 0.00 C ATOM 212 C PHE A 18 2.080 3.920 -0.015 1.00 0.00 C ATOM 213 O PHE A 18 1.562 4.679 -0.834 1.00 0.00 O ATOM 214 CB PHE A 18 3.223 1.746 -0.491 1.00 0.00 C ATOM 215 CG PHE A 18 3.095 0.284 -0.810 1.00 0.00 C ATOM 216 CD1 PHE A 18 3.165 -0.667 0.195 1.00 0.00 C ATOM 217 CD2 PHE A 18 2.904 -0.139 -2.116 1.00 0.00 C ATOM 218 CE1 PHE A 18 3.048 -2.013 -0.097 1.00 0.00 C ATOM 219 CE2 PHE A 18 2.785 -1.484 -2.413 1.00 0.00 C ATOM 220 CZ PHE A 18 2.857 -2.422 -1.402 1.00 0.00 C ATOM 0 H PHE A 18 0.907 2.647 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 18 1.565 2.031 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.650 2.261 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.923 1.869 0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.313 -0.353 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.847 0.590 -2.911 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.106 -2.745 0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.636 -1.801 -3.435 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.764 -3.473 -1.632 1.00 0.00 H new ATOM 230 N SER A 19 2.823 4.349 1.001 1.00 0.00 N ATOM 231 CA SER A 19 3.073 5.769 1.219 1.00 0.00 C ATOM 232 C SER A 19 4.312 6.225 0.453 1.00 0.00 C ATOM 233 O SER A 19 4.288 7.244 -0.237 1.00 0.00 O ATOM 234 CB SER A 19 3.248 6.054 2.711 1.00 0.00 C ATOM 235 OG SER A 19 3.172 7.444 2.977 1.00 0.00 O ATOM 0 H SER A 19 3.262 3.733 1.686 1.00 0.00 H new ATOM 0 HA SER A 19 2.212 6.326 0.849 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.478 5.530 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.210 5.668 3.048 1.00 0.00 H new ATOM 0 HG SER A 19 3.285 7.600 3.938 1.00 0.00 H new ATOM 241 N ARG A 20 5.393 5.463 0.582 1.00 0.00 N ATOM 242 CA ARG A 20 6.642 5.789 -0.096 1.00 0.00 C ATOM 243 C ARG A 20 6.801 4.965 -1.370 1.00 0.00 C ATOM 244 O ARG A 20 6.484 3.775 -1.396 1.00 0.00 O ATOM 245 CB ARG A 20 7.831 5.542 0.835 1.00 0.00 C ATOM 246 CG ARG A 20 7.791 6.373 2.107 1.00 0.00 C ATOM 247 CD ARG A 20 8.565 5.705 3.233 1.00 0.00 C ATOM 248 NE ARG A 20 9.104 6.678 4.179 1.00 0.00 N ATOM 249 CZ ARG A 20 10.046 7.561 3.868 1.00 0.00 C ATOM 250 NH1 ARG A 20 10.550 7.594 2.642 1.00 0.00 N ATOM 251 NH2 ARG A 20 10.485 8.415 4.784 1.00 0.00 N ATOM 0 H ARG A 20 5.429 4.616 1.149 1.00 0.00 H new ATOM 0 HA ARG A 20 6.614 6.844 -0.368 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.859 4.486 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.754 5.760 0.298 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.210 7.360 1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.756 6.521 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.911 5.011 3.760 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.381 5.117 2.813 1.00 0.00 H new ATOM 0 HE ARG A 20 8.737 6.680 5.131 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.214 6.940 1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.273 8.273 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.099 8.394 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.209 9.093 4.544 1.00 0.00 H new ATOM 265 N LYS A 21 7.291 5.605 -2.426 1.00 0.00 N ATOM 266 CA LYS A 21 7.493 4.933 -3.704 1.00 0.00 C ATOM 267 C LYS A 21 8.574 3.863 -3.591 1.00 0.00 C ATOM 268 O LYS A 21 8.633 2.939 -4.403 1.00 0.00 O ATOM 269 CB LYS A 21 7.876 5.948 -4.783 1.00 0.00 C ATOM 270 CG LYS A 21 9.090 6.788 -4.424 1.00 0.00 C ATOM 271 CD LYS A 21 9.600 7.571 -5.622 1.00 0.00 C ATOM 272 CE LYS A 21 10.901 8.292 -5.304 1.00 0.00 C ATOM 273 NZ LYS A 21 11.343 9.162 -6.429 1.00 0.00 N ATOM 0 H LYS A 21 7.556 6.590 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 21 6.557 4.451 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.074 5.418 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.029 6.609 -4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.832 7.478 -3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.882 6.141 -4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.754 6.894 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.847 8.296 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.771 8.897 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.678 7.559 -5.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.233 9.635 -6.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.492 8.581 -7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.613 9.877 -6.622 1.00 0.00 H new ATOM 287 N ASP A 22 9.425 3.992 -2.579 1.00 0.00 N ATOM 288 CA ASP A 22 10.503 3.034 -2.359 1.00 0.00 C ATOM 289 C ASP A 22 9.956 1.716 -1.822 1.00 0.00 C ATOM 290 O ASP A 22 10.285 0.642 -2.327 1.00 0.00 O ATOM 291 CB ASP A 22 11.533 3.608 -1.385 1.00 0.00 C ATOM 292 CG ASP A 22 12.663 2.639 -1.101 1.00 0.00 C ATOM 293 OD1 ASP A 22 13.227 2.084 -2.068 1.00 0.00 O ATOM 294 OD2 ASP A 22 12.985 2.437 0.088 1.00 0.00 O ATOM 0 H ASP A 22 9.389 4.750 -1.898 1.00 0.00 H new ATOM 0 HA ASP A 22 10.988 2.843 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.944 4.530 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.038 3.869 -0.450 1.00 0.00 H new ATOM 299 N LYS A 23 9.119 1.803 -0.793 1.00 0.00 N ATOM 300 CA LYS A 23 8.526 0.618 -0.185 1.00 0.00 C ATOM 301 C LYS A 23 8.155 -0.411 -1.249 1.00 0.00 C ATOM 302 O LYS A 23 8.286 -1.616 -1.033 1.00 0.00 O ATOM 303 CB LYS A 23 7.284 1.002 0.623 1.00 0.00 C ATOM 304 CG LYS A 23 7.604 1.679 1.944 1.00 0.00 C ATOM 305 CD LYS A 23 8.106 0.681 2.975 1.00 0.00 C ATOM 306 CE LYS A 23 6.986 -0.221 3.470 1.00 0.00 C ATOM 307 NZ LYS A 23 7.415 -1.053 4.628 1.00 0.00 N ATOM 0 H LYS A 23 8.836 2.683 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 23 9.264 0.174 0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.663 1.668 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.695 0.105 0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.358 2.450 1.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.712 2.178 2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.898 0.073 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.543 1.216 3.818 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.129 0.388 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.657 -0.870 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.624 -1.654 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.216 -1.653 4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.705 -0.434 5.412 1.00 0.00 H new ATOM 321 N LEU A 24 7.694 0.072 -2.397 1.00 0.00 N ATOM 322 CA LEU A 24 7.306 -0.806 -3.495 1.00 0.00 C ATOM 323 C LEU A 24 8.461 -1.716 -3.899 1.00 0.00 C ATOM 324 O LEU A 24 8.279 -2.917 -4.100 1.00 0.00 O ATOM 325 CB LEU A 24 6.849 0.021 -4.698 1.00 0.00 C ATOM 326 CG LEU A 24 6.519 -0.766 -5.967 1.00 0.00 C ATOM 327 CD1 LEU A 24 5.073 -1.238 -5.942 1.00 0.00 C ATOM 328 CD2 LEU A 24 6.783 0.081 -7.204 1.00 0.00 C ATOM 0 H LEU A 24 7.580 1.067 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 24 6.479 -1.429 -3.154 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.966 0.591 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.630 0.743 -4.935 1.00 0.00 H new ATOM 0 HG LEU A 24 7.166 -1.643 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.857 -1.796 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.915 -1.881 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.410 -0.375 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.543 -0.495 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.162 0.976 -7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.834 0.369 -7.230 1.00 0.00 H new ATOM 340 N LYS A 25 9.651 -1.137 -4.014 1.00 0.00 N ATOM 341 CA LYS A 25 10.839 -1.895 -4.390 1.00 0.00 C ATOM 342 C LYS A 25 10.980 -3.147 -3.531 1.00 0.00 C ATOM 343 O LYS A 25 11.013 -4.265 -4.044 1.00 0.00 O ATOM 344 CB LYS A 25 12.090 -1.024 -4.252 1.00 0.00 C ATOM 345 CG LYS A 25 12.303 -0.076 -5.419 1.00 0.00 C ATOM 346 CD LYS A 25 13.771 0.280 -5.587 1.00 0.00 C ATOM 347 CE LYS A 25 14.520 -0.793 -6.363 1.00 0.00 C ATOM 348 NZ LYS A 25 15.817 -0.289 -6.894 1.00 0.00 N ATOM 0 H LYS A 25 9.819 -0.144 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 25 10.730 -2.201 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.019 -0.444 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.963 -1.669 -4.155 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.932 -0.536 -6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.723 0.833 -5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.858 1.234 -6.107 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.230 0.409 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.701 -1.650 -5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.901 -1.143 -7.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.297 -1.049 -7.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.643 0.513 -7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.418 0.022 -6.104 1.00 0.00 H new ATOM 362 N THR A 26 11.061 -2.952 -2.218 1.00 0.00 N ATOM 363 CA THR A 26 11.198 -4.065 -1.287 1.00 0.00 C ATOM 364 C THR A 26 9.908 -4.873 -1.203 1.00 0.00 C ATOM 365 O THR A 26 9.932 -6.072 -0.923 1.00 0.00 O ATOM 366 CB THR A 26 11.576 -3.574 0.123 1.00 0.00 C ATOM 367 OG1 THR A 26 12.685 -2.671 0.047 1.00 0.00 O ATOM 368 CG2 THR A 26 11.931 -4.745 1.027 1.00 0.00 C ATOM 0 H THR A 26 11.034 -2.033 -1.776 1.00 0.00 H new ATOM 0 HA THR A 26 11.997 -4.700 -1.669 1.00 0.00 H new ATOM 0 HB THR A 26 10.715 -3.057 0.546 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.918 -2.362 0.947 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.194 -4.373 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.075 -5.415 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.778 -5.286 0.605 1.00 0.00 H new ATOM 376 N HIS A 27 8.782 -4.209 -1.446 1.00 0.00 N ATOM 377 CA HIS A 27 7.482 -4.867 -1.399 1.00 0.00 C ATOM 378 C HIS A 27 7.451 -6.078 -2.327 1.00 0.00 C ATOM 379 O HIS A 27 6.697 -7.024 -2.103 1.00 0.00 O ATOM 380 CB HIS A 27 6.375 -3.885 -1.786 1.00 0.00 C ATOM 381 CG HIS A 27 5.065 -4.547 -2.085 1.00 0.00 C ATOM 382 ND1 HIS A 27 4.390 -5.326 -1.170 1.00 0.00 N ATOM 383 CD2 HIS A 27 4.305 -4.540 -3.205 1.00 0.00 C ATOM 384 CE1 HIS A 27 3.272 -5.772 -1.714 1.00 0.00 C ATOM 385 NE2 HIS A 27 3.196 -5.308 -2.949 1.00 0.00 N ATOM 0 H HIS A 27 8.744 -3.216 -1.677 1.00 0.00 H new ATOM 0 HA HIS A 27 7.313 -5.210 -0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.235 -3.170 -0.975 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.694 -3.317 -2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 27 4.705 -5.527 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.529 -4.026 -4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 27 2.544 -6.408 -1.232 1.00 0.00 H new ATOM 393 N MET A 28 8.275 -6.040 -3.369 1.00 0.00 N ATOM 394 CA MET A 28 8.342 -7.134 -4.330 1.00 0.00 C ATOM 395 C MET A 28 9.068 -8.337 -3.735 1.00 0.00 C ATOM 396 O MET A 28 8.933 -9.459 -4.224 1.00 0.00 O ATOM 397 CB MET A 28 9.050 -6.677 -5.607 1.00 0.00 C ATOM 398 CG MET A 28 8.499 -5.380 -6.176 1.00 0.00 C ATOM 399 SD MET A 28 8.638 -5.295 -7.972 1.00 0.00 S ATOM 400 CE MET A 28 6.935 -4.979 -8.428 1.00 0.00 C ATOM 0 H MET A 28 8.905 -5.263 -3.569 1.00 0.00 H new ATOM 0 HA MET A 28 7.323 -7.432 -4.575 1.00 0.00 H new ATOM 0 HB2 MET A 28 10.112 -6.550 -5.398 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.964 -7.460 -6.360 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.452 -5.279 -5.891 1.00 0.00 H new ATOM 0 HG3 MET A 28 9.032 -4.538 -5.734 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.857 -4.900 -9.512 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.307 -5.798 -8.078 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.603 -4.046 -7.972 1.00 0.00 H new ATOM 410 N ARG A 29 9.836 -8.095 -2.678 1.00 0.00 N ATOM 411 CA ARG A 29 10.584 -9.158 -2.018 1.00 0.00 C ATOM 412 C ARG A 29 9.643 -10.231 -1.479 1.00 0.00 C ATOM 413 O ARG A 29 10.045 -11.376 -1.270 1.00 0.00 O ATOM 414 CB ARG A 29 11.428 -8.585 -0.878 1.00 0.00 C ATOM 415 CG ARG A 29 12.598 -7.739 -1.353 1.00 0.00 C ATOM 416 CD ARG A 29 13.619 -7.529 -0.245 1.00 0.00 C ATOM 417 NE ARG A 29 14.415 -8.730 0.000 1.00 0.00 N ATOM 418 CZ ARG A 29 15.544 -9.006 -0.642 1.00 0.00 C ATOM 419 NH1 ARG A 29 16.009 -8.173 -1.562 1.00 0.00 N ATOM 420 NH2 ARG A 29 16.212 -10.119 -0.363 1.00 0.00 N ATOM 0 H ARG A 29 9.957 -7.172 -2.260 1.00 0.00 H new ATOM 0 HA ARG A 29 11.244 -9.615 -2.755 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.790 -7.979 -0.234 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.807 -9.406 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.077 -8.223 -2.204 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.232 -6.773 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.280 -6.704 -0.512 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.105 -7.241 0.672 1.00 0.00 H new ATOM 0 HE ARG A 29 14.085 -9.392 0.702 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.499 -7.317 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.877 -8.388 -2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 15.858 -10.762 0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 29 17.079 -10.331 -0.856 1.00 0.00 H new ATOM 434 N CYS A 30 8.389 -9.852 -1.254 1.00 0.00 N ATOM 435 CA CYS A 30 7.391 -10.781 -0.737 1.00 0.00 C ATOM 436 C CYS A 30 6.468 -11.263 -1.852 1.00 0.00 C ATOM 437 O CYS A 30 5.360 -11.734 -1.595 1.00 0.00 O ATOM 438 CB CYS A 30 6.570 -10.116 0.369 1.00 0.00 C ATOM 439 SG CYS A 30 5.549 -11.265 1.322 1.00 0.00 S ATOM 0 H CYS A 30 8.040 -8.908 -1.422 1.00 0.00 H new ATOM 0 HA CYS A 30 7.913 -11.644 -0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.247 -9.599 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.926 -9.358 -0.077 1.00 0.00 H new ATOM 0 HG CYS A 30 4.932 -12.072 0.511 1.00 0.00 H new ATOM 445 N HIS A 31 6.932 -11.141 -3.092 1.00 0.00 N ATOM 446 CA HIS A 31 6.148 -11.563 -4.247 1.00 0.00 C ATOM 447 C HIS A 31 6.845 -12.699 -4.990 1.00 0.00 C ATOM 448 O HIS A 31 7.591 -12.468 -5.942 1.00 0.00 O ATOM 449 CB HIS A 31 5.920 -10.384 -5.193 1.00 0.00 C ATOM 450 CG HIS A 31 4.732 -9.546 -4.830 1.00 0.00 C ATOM 451 ND1 HIS A 31 3.500 -10.082 -4.522 1.00 0.00 N ATOM 452 CD2 HIS A 31 4.595 -8.204 -4.726 1.00 0.00 C ATOM 453 CE1 HIS A 31 2.655 -9.105 -4.245 1.00 0.00 C ATOM 454 NE2 HIS A 31 3.294 -7.955 -4.361 1.00 0.00 N ATOM 0 H HIS A 31 7.847 -10.753 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 31 5.184 -11.924 -3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 31 6.810 -9.755 -5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.791 -10.762 -6.207 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.276 -11.077 -4.510 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.365 -7.466 -4.898 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.618 -9.226 -3.970 1.00 0.00 H new ATOM 462 N THR A 32 6.596 -13.928 -4.549 1.00 0.00 N ATOM 463 CA THR A 32 7.200 -15.100 -5.170 1.00 0.00 C ATOM 464 C THR A 32 6.489 -16.378 -4.740 1.00 0.00 C ATOM 465 O THR A 32 6.331 -16.642 -3.549 1.00 0.00 O ATOM 466 CB THR A 32 8.695 -15.215 -4.818 1.00 0.00 C ATOM 467 OG1 THR A 32 9.339 -13.948 -4.997 1.00 0.00 O ATOM 468 CG2 THR A 32 9.376 -16.263 -5.686 1.00 0.00 C ATOM 0 H THR A 32 5.980 -14.137 -3.764 1.00 0.00 H new ATOM 0 HA THR A 32 7.097 -14.975 -6.248 1.00 0.00 H new ATOM 0 HB THR A 32 8.778 -15.520 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.999 -13.520 -5.810 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.431 -16.327 -5.419 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.902 -17.232 -5.526 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.283 -15.983 -6.735 1.00 0.00 H new ATOM 476 N GLY A 33 6.062 -17.170 -5.719 1.00 0.00 N ATOM 477 CA GLY A 33 5.373 -18.413 -5.421 1.00 0.00 C ATOM 478 C GLY A 33 4.584 -18.937 -6.604 1.00 0.00 C ATOM 479 O GLY A 33 4.015 -18.161 -7.373 1.00 0.00 O ATOM 0 H GLY A 33 6.181 -16.973 -6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.101 -19.163 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.699 -18.258 -4.579 1.00 0.00 H new ATOM 483 N VAL A 34 4.550 -20.257 -6.753 1.00 0.00 N ATOM 484 CA VAL A 34 3.825 -20.884 -7.852 1.00 0.00 C ATOM 485 C VAL A 34 3.288 -22.252 -7.446 1.00 0.00 C ATOM 486 O VAL A 34 3.970 -23.025 -6.772 1.00 0.00 O ATOM 487 CB VAL A 34 4.720 -21.045 -9.095 1.00 0.00 C ATOM 488 CG1 VAL A 34 5.177 -19.686 -9.604 1.00 0.00 C ATOM 489 CG2 VAL A 34 5.914 -21.934 -8.780 1.00 0.00 C ATOM 0 H VAL A 34 5.016 -20.913 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 34 2.991 -20.227 -8.097 1.00 0.00 H new ATOM 0 HB VAL A 34 4.137 -21.524 -9.882 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.808 -19.820 -10.482 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.307 -19.086 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.744 -19.177 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.536 -22.037 -9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.500 -21.486 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.563 -22.917 -8.467 1.00 0.00 H new ATOM 499 N LYS A 35 2.060 -22.546 -7.861 1.00 0.00 N ATOM 500 CA LYS A 35 1.430 -23.821 -7.543 1.00 0.00 C ATOM 501 C LYS A 35 0.643 -24.352 -8.737 1.00 0.00 C ATOM 502 O LYS A 35 -0.021 -23.605 -9.456 1.00 0.00 O ATOM 503 CB LYS A 35 0.502 -23.668 -6.335 1.00 0.00 C ATOM 504 CG LYS A 35 1.190 -23.097 -5.108 1.00 0.00 C ATOM 505 CD LYS A 35 2.216 -24.065 -4.543 1.00 0.00 C ATOM 506 CE LYS A 35 3.372 -23.330 -3.882 1.00 0.00 C ATOM 507 NZ LYS A 35 2.948 -22.643 -2.630 1.00 0.00 N ATOM 0 H LYS A 35 1.482 -21.918 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 35 2.217 -24.536 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.332 -23.021 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.081 -24.642 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.679 -22.158 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.445 -22.869 -4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.737 -24.721 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.597 -24.700 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.170 -24.037 -3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.782 -22.598 -4.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.764 -22.154 -2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.204 -21.950 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.580 -23.345 -1.956 1.00 0.00 H new ATOM 521 N PRO A 36 0.717 -25.674 -8.955 1.00 0.00 N ATOM 522 CA PRO A 36 0.017 -26.334 -10.061 1.00 0.00 C ATOM 523 C PRO A 36 -1.495 -26.352 -9.861 1.00 0.00 C ATOM 524 O PRO A 36 -2.258 -26.374 -10.827 1.00 0.00 O ATOM 525 CB PRO A 36 0.577 -27.758 -10.035 1.00 0.00 C ATOM 526 CG PRO A 36 1.019 -27.967 -8.628 1.00 0.00 C ATOM 527 CD PRO A 36 1.490 -26.625 -8.139 1.00 0.00 C ATOM 0 HA PRO A 36 0.172 -25.818 -11.008 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.181 -28.486 -10.324 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.408 -27.869 -10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.200 -28.341 -8.013 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.820 -28.705 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.294 -26.494 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.563 -26.499 -8.283 1.00 0.00 H new ATOM 535 N TYR A 37 -1.920 -26.343 -8.603 1.00 0.00 N ATOM 536 CA TYR A 37 -3.341 -26.360 -8.276 1.00 0.00 C ATOM 537 C TYR A 37 -3.935 -24.957 -8.353 1.00 0.00 C ATOM 538 O TYR A 37 -3.862 -24.186 -7.396 1.00 0.00 O ATOM 539 CB TYR A 37 -3.558 -26.943 -6.879 1.00 0.00 C ATOM 540 CG TYR A 37 -2.983 -28.330 -6.705 1.00 0.00 C ATOM 541 CD1 TYR A 37 -3.455 -29.398 -7.458 1.00 0.00 C ATOM 542 CD2 TYR A 37 -1.968 -28.573 -5.787 1.00 0.00 C ATOM 543 CE1 TYR A 37 -2.933 -30.668 -7.302 1.00 0.00 C ATOM 544 CE2 TYR A 37 -1.439 -29.839 -5.626 1.00 0.00 C ATOM 545 CZ TYR A 37 -1.925 -30.883 -6.385 1.00 0.00 C ATOM 546 OH TYR A 37 -1.402 -32.146 -6.226 1.00 0.00 O ATOM 0 H TYR A 37 -1.301 -26.324 -7.793 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.848 -26.990 -9.007 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.108 -26.277 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.627 -26.973 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.243 -29.233 -8.178 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.586 -27.758 -5.189 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.312 -31.488 -7.895 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.649 -30.010 -4.910 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.700 -32.126 -5.542 1.00 0.00 H new ATOM 556 N LYS A 38 -4.525 -24.633 -9.498 1.00 0.00 N ATOM 557 CA LYS A 38 -5.134 -23.324 -9.702 1.00 0.00 C ATOM 558 C LYS A 38 -6.565 -23.464 -10.213 1.00 0.00 C ATOM 559 O LYS A 38 -6.844 -24.280 -11.092 1.00 0.00 O ATOM 560 CB LYS A 38 -4.306 -22.502 -10.692 1.00 0.00 C ATOM 561 CG LYS A 38 -3.000 -21.988 -10.112 1.00 0.00 C ATOM 562 CD LYS A 38 -2.136 -21.333 -11.177 1.00 0.00 C ATOM 563 CE LYS A 38 -0.893 -20.698 -10.573 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.219 -19.473 -9.791 1.00 0.00 N ATOM 0 H LYS A 38 -4.595 -25.260 -10.300 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.158 -22.808 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.089 -23.114 -11.568 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.900 -21.655 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.211 -21.269 -9.320 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.454 -22.814 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.843 -22.077 -11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.716 -20.573 -11.701 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.395 -21.420 -9.926 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.192 -20.445 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.834 -18.638 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.251 -19.379 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.800 -19.545 -8.842 1.00 0.00 H new ATOM 578 N CYS A 39 -7.467 -22.662 -9.659 1.00 0.00 N ATOM 579 CA CYS A 39 -8.869 -22.695 -10.059 1.00 0.00 C ATOM 580 C CYS A 39 -9.023 -22.323 -11.531 1.00 0.00 C ATOM 581 O CYS A 39 -8.482 -21.316 -11.989 1.00 0.00 O ATOM 582 CB CYS A 39 -9.691 -21.740 -9.191 1.00 0.00 C ATOM 583 SG CYS A 39 -11.443 -22.209 -9.024 1.00 0.00 S ATOM 0 H CYS A 39 -7.252 -21.980 -8.931 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.238 -23.711 -9.919 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.243 -21.691 -8.199 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.633 -20.738 -9.617 1.00 0.00 H new ATOM 588 N LYS A 40 -9.767 -23.141 -12.267 1.00 0.00 N ATOM 589 CA LYS A 40 -9.995 -22.900 -13.687 1.00 0.00 C ATOM 590 C LYS A 40 -10.621 -21.527 -13.911 1.00 0.00 C ATOM 591 O LYS A 40 -10.219 -20.788 -14.810 1.00 0.00 O ATOM 592 CB LYS A 40 -10.901 -23.986 -14.271 1.00 0.00 C ATOM 593 CG LYS A 40 -12.268 -24.057 -13.613 1.00 0.00 C ATOM 594 CD LYS A 40 -13.186 -25.026 -14.339 1.00 0.00 C ATOM 595 CE LYS A 40 -14.613 -24.939 -13.818 1.00 0.00 C ATOM 596 NZ LYS A 40 -15.383 -23.856 -14.490 1.00 0.00 N ATOM 0 H LYS A 40 -10.223 -23.978 -11.903 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.031 -22.929 -14.194 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.030 -23.805 -15.338 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.407 -24.953 -14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.157 -24.368 -12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.720 -23.065 -13.602 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -13.174 -24.809 -15.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.814 -26.043 -14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.116 -25.893 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.597 -24.760 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.395 -23.966 -14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -15.055 -22.931 -14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -15.238 -23.914 -15.518 1.00 0.00 H new ATOM 610 N THR A 41 -11.608 -21.189 -13.086 1.00 0.00 N ATOM 611 CA THR A 41 -12.289 -19.905 -13.194 1.00 0.00 C ATOM 612 C THR A 41 -11.552 -18.825 -12.410 1.00 0.00 C ATOM 613 O THR A 41 -11.156 -17.800 -12.967 1.00 0.00 O ATOM 614 CB THR A 41 -13.740 -19.994 -12.685 1.00 0.00 C ATOM 615 OG1 THR A 41 -14.429 -21.056 -13.354 1.00 0.00 O ATOM 616 CG2 THR A 41 -14.475 -18.682 -12.914 1.00 0.00 C ATOM 0 H THR A 41 -11.953 -21.787 -12.336 1.00 0.00 H new ATOM 0 HA THR A 41 -12.299 -19.640 -14.251 1.00 0.00 H new ATOM 0 HB THR A 41 -13.715 -20.196 -11.614 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.350 -21.107 -13.024 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.498 -18.769 -12.547 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.964 -17.881 -12.380 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.491 -18.455 -13.980 1.00 0.00 H new ATOM 624 N CYS A 42 -11.372 -19.060 -11.115 1.00 0.00 N ATOM 625 CA CYS A 42 -10.683 -18.107 -10.253 1.00 0.00 C ATOM 626 C CYS A 42 -9.170 -18.211 -10.427 1.00 0.00 C ATOM 627 O CYS A 42 -8.677 -19.067 -11.162 1.00 0.00 O ATOM 628 CB CYS A 42 -11.057 -18.347 -8.789 1.00 0.00 C ATOM 629 SG CYS A 42 -12.829 -18.671 -8.518 1.00 0.00 S ATOM 0 H CYS A 42 -11.694 -19.903 -10.639 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.996 -17.103 -10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.482 -19.193 -8.412 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.764 -17.476 -8.203 1.00 0.00 H new ATOM 634 N ASP A 43 -8.440 -17.335 -9.746 1.00 0.00 N ATOM 635 CA ASP A 43 -6.984 -17.328 -9.823 1.00 0.00 C ATOM 636 C ASP A 43 -6.366 -17.653 -8.467 1.00 0.00 C ATOM 637 O ASP A 43 -5.354 -17.069 -8.079 1.00 0.00 O ATOM 638 CB ASP A 43 -6.484 -15.969 -10.314 1.00 0.00 C ATOM 639 CG ASP A 43 -6.447 -15.876 -11.826 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.832 -16.760 -12.460 1.00 0.00 O ATOM 641 OD2 ASP A 43 -7.032 -14.920 -12.377 1.00 0.00 O ATOM 0 H ASP A 43 -8.833 -16.620 -9.134 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.679 -18.096 -10.534 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.130 -15.184 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.485 -15.788 -9.918 1.00 0.00 H new ATOM 646 N TYR A 44 -6.983 -18.585 -7.750 1.00 0.00 N ATOM 647 CA TYR A 44 -6.496 -18.985 -6.435 1.00 0.00 C ATOM 648 C TYR A 44 -5.516 -20.148 -6.547 1.00 0.00 C ATOM 649 O TYR A 44 -5.784 -21.136 -7.230 1.00 0.00 O ATOM 650 CB TYR A 44 -7.667 -19.375 -5.531 1.00 0.00 C ATOM 651 CG TYR A 44 -7.279 -20.308 -4.406 1.00 0.00 C ATOM 652 CD1 TYR A 44 -6.227 -20.001 -3.553 1.00 0.00 C ATOM 653 CD2 TYR A 44 -7.966 -21.498 -4.197 1.00 0.00 C ATOM 654 CE1 TYR A 44 -5.869 -20.851 -2.525 1.00 0.00 C ATOM 655 CE2 TYR A 44 -7.615 -22.354 -3.171 1.00 0.00 C ATOM 656 CZ TYR A 44 -6.566 -22.027 -2.338 1.00 0.00 C ATOM 657 OH TYR A 44 -6.213 -22.876 -1.314 1.00 0.00 O ATOM 0 H TYR A 44 -7.822 -19.078 -8.057 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.974 -18.135 -5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -8.105 -18.471 -5.107 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.439 -19.850 -6.136 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.679 -19.081 -3.696 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.788 -21.758 -4.848 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.048 -20.597 -1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.160 -23.275 -3.022 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.011 -23.116 -0.798 1.00 0.00 H new ATOM 667 N ALA A 45 -4.379 -20.023 -5.870 1.00 0.00 N ATOM 668 CA ALA A 45 -3.359 -21.065 -5.891 1.00 0.00 C ATOM 669 C ALA A 45 -3.367 -21.867 -4.594 1.00 0.00 C ATOM 670 O ALA A 45 -3.274 -21.303 -3.504 1.00 0.00 O ATOM 671 CB ALA A 45 -1.986 -20.454 -6.127 1.00 0.00 C ATOM 0 H ALA A 45 -4.141 -19.211 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.587 -21.746 -6.710 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.234 -21.243 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.980 -19.931 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.759 -19.750 -5.327 1.00 0.00 H new ATOM 677 N ALA A 46 -3.480 -23.185 -4.719 1.00 0.00 N ATOM 678 CA ALA A 46 -3.499 -24.064 -3.556 1.00 0.00 C ATOM 679 C ALA A 46 -2.258 -24.950 -3.518 1.00 0.00 C ATOM 680 O ALA A 46 -1.810 -25.452 -4.548 1.00 0.00 O ATOM 681 CB ALA A 46 -4.759 -24.917 -3.560 1.00 0.00 C ATOM 0 H ALA A 46 -3.560 -23.668 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.497 -23.442 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.760 -25.569 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.636 -24.271 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.785 -25.524 -4.465 1.00 0.00 H new ATOM 687 N ALA A 47 -1.708 -25.137 -2.323 1.00 0.00 N ATOM 688 CA ALA A 47 -0.519 -25.964 -2.151 1.00 0.00 C ATOM 689 C ALA A 47 -0.859 -27.446 -2.271 1.00 0.00 C ATOM 690 O ALA A 47 -0.357 -28.137 -3.158 1.00 0.00 O ATOM 691 CB ALA A 47 0.132 -25.678 -0.806 1.00 0.00 C ATOM 0 H ALA A 47 -2.066 -24.728 -1.460 1.00 0.00 H new ATOM 0 HA ALA A 47 0.185 -25.714 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.018 -26.302 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.419 -24.628 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.574 -25.899 -0.006 1.00 0.00 H new ATOM 697 N ASP A 48 -1.713 -27.927 -1.375 1.00 0.00 N ATOM 698 CA ASP A 48 -2.121 -29.327 -1.382 1.00 0.00 C ATOM 699 C ASP A 48 -3.386 -29.521 -2.211 1.00 0.00 C ATOM 700 O ASP A 48 -4.066 -28.556 -2.559 1.00 0.00 O ATOM 701 CB ASP A 48 -2.352 -29.819 0.048 1.00 0.00 C ATOM 702 CG ASP A 48 -2.360 -31.332 0.145 1.00 0.00 C ATOM 703 OD1 ASP A 48 -1.415 -31.965 -0.373 1.00 0.00 O ATOM 704 OD2 ASP A 48 -3.309 -31.884 0.739 1.00 0.00 O ATOM 0 H ASP A 48 -2.136 -27.368 -0.634 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.320 -29.911 -1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.572 -29.420 0.697 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.302 -29.429 0.414 1.00 0.00 H new ATOM 709 N SER A 49 -3.695 -30.775 -2.525 1.00 0.00 N ATOM 710 CA SER A 49 -4.876 -31.096 -3.318 1.00 0.00 C ATOM 711 C SER A 49 -6.152 -30.792 -2.539 1.00 0.00 C ATOM 712 O SER A 49 -7.049 -30.110 -3.036 1.00 0.00 O ATOM 713 CB SER A 49 -4.855 -32.569 -3.731 1.00 0.00 C ATOM 714 OG SER A 49 -4.829 -33.416 -2.595 1.00 0.00 O ATOM 0 H SER A 49 -3.144 -31.585 -2.242 1.00 0.00 H new ATOM 0 HA SER A 49 -4.861 -30.475 -4.214 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.734 -32.793 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.982 -32.763 -4.354 1.00 0.00 H new ATOM 0 HG SER A 49 -4.818 -34.352 -2.885 1.00 0.00 H new ATOM 720 N SER A 50 -6.226 -31.304 -1.314 1.00 0.00 N ATOM 721 CA SER A 50 -7.394 -31.092 -0.466 1.00 0.00 C ATOM 722 C SER A 50 -7.746 -29.609 -0.389 1.00 0.00 C ATOM 723 O SER A 50 -8.885 -29.216 -0.644 1.00 0.00 O ATOM 724 CB SER A 50 -7.137 -31.641 0.938 1.00 0.00 C ATOM 725 OG SER A 50 -6.934 -33.043 0.908 1.00 0.00 O ATOM 0 H SER A 50 -5.491 -31.868 -0.887 1.00 0.00 H new ATOM 0 HA SER A 50 -8.236 -31.625 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.263 -31.153 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.983 -31.407 1.584 1.00 0.00 H new ATOM 0 HG SER A 50 -6.770 -33.369 1.817 1.00 0.00 H new ATOM 731 N SER A 51 -6.761 -28.791 -0.033 1.00 0.00 N ATOM 732 CA SER A 51 -6.967 -27.352 0.082 1.00 0.00 C ATOM 733 C SER A 51 -7.820 -26.831 -1.070 1.00 0.00 C ATOM 734 O SER A 51 -8.766 -26.069 -0.863 1.00 0.00 O ATOM 735 CB SER A 51 -5.622 -26.623 0.106 1.00 0.00 C ATOM 736 OG SER A 51 -5.760 -25.315 0.632 1.00 0.00 O ATOM 0 H SER A 51 -5.813 -29.100 0.181 1.00 0.00 H new ATOM 0 HA SER A 51 -7.494 -27.159 1.017 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.910 -27.187 0.708 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.215 -26.571 -0.904 1.00 0.00 H new ATOM 0 HG SER A 51 -5.892 -24.679 -0.102 1.00 0.00 H new ATOM 742 N LEU A 52 -7.479 -27.246 -2.285 1.00 0.00 N ATOM 743 CA LEU A 52 -8.213 -26.822 -3.472 1.00 0.00 C ATOM 744 C LEU A 52 -9.589 -27.478 -3.525 1.00 0.00 C ATOM 745 O LEU A 52 -10.590 -26.821 -3.807 1.00 0.00 O ATOM 746 CB LEU A 52 -7.422 -27.167 -4.735 1.00 0.00 C ATOM 747 CG LEU A 52 -7.926 -26.539 -6.035 1.00 0.00 C ATOM 748 CD1 LEU A 52 -7.554 -25.065 -6.095 1.00 0.00 C ATOM 749 CD2 LEU A 52 -7.365 -27.282 -7.239 1.00 0.00 C ATOM 0 H LEU A 52 -6.699 -27.876 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.348 -25.742 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.386 -26.862 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.421 -28.250 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.013 -26.620 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.921 -24.635 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.004 -24.541 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.470 -24.961 -6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.734 -26.821 -8.155 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.276 -27.233 -7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.682 -28.324 -7.204 1.00 0.00 H new ATOM 761 N ASN A 53 -9.631 -28.778 -3.249 1.00 0.00 N ATOM 762 CA ASN A 53 -10.884 -29.523 -3.263 1.00 0.00 C ATOM 763 C ASN A 53 -11.990 -28.741 -2.560 1.00 0.00 C ATOM 764 O ASN A 53 -13.098 -28.608 -3.079 1.00 0.00 O ATOM 765 CB ASN A 53 -10.700 -30.885 -2.590 1.00 0.00 C ATOM 766 CG ASN A 53 -10.258 -31.957 -3.568 1.00 0.00 C ATOM 767 OD1 ASN A 53 -10.268 -31.749 -4.781 1.00 0.00 O ATOM 768 ND2 ASN A 53 -9.868 -33.112 -3.041 1.00 0.00 N ATOM 0 H ASN A 53 -8.811 -29.337 -3.013 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.175 -29.675 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.962 -30.797 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.638 -31.187 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.560 -33.872 -3.648 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.876 -33.239 -2.029 1.00 0.00 H new ATOM 775 N LYS A 54 -11.680 -28.225 -1.375 1.00 0.00 N ATOM 776 CA LYS A 54 -12.645 -27.454 -0.600 1.00 0.00 C ATOM 777 C LYS A 54 -13.175 -26.274 -1.409 1.00 0.00 C ATOM 778 O LYS A 54 -14.333 -25.881 -1.265 1.00 0.00 O ATOM 779 CB LYS A 54 -12.004 -26.951 0.696 1.00 0.00 C ATOM 780 CG LYS A 54 -13.013 -26.521 1.746 1.00 0.00 C ATOM 781 CD LYS A 54 -13.384 -25.055 1.595 1.00 0.00 C ATOM 782 CE LYS A 54 -12.268 -24.144 2.083 1.00 0.00 C ATOM 783 NZ LYS A 54 -12.201 -24.096 3.570 1.00 0.00 N ATOM 0 H LYS A 54 -10.768 -28.327 -0.930 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.482 -28.108 -0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.375 -27.739 1.110 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.351 -26.109 0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.910 -27.135 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.600 -26.692 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.600 -24.839 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.295 -24.849 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.314 -24.494 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.424 -23.138 1.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.509 -23.377 3.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.137 -23.852 3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.910 -25.025 3.935 1.00 0.00 H new ATOM 797 N HIS A 55 -12.320 -25.715 -2.260 1.00 0.00 N ATOM 798 CA HIS A 55 -12.704 -24.581 -3.093 1.00 0.00 C ATOM 799 C HIS A 55 -13.753 -24.993 -4.122 1.00 0.00 C ATOM 800 O HIS A 55 -14.860 -24.454 -4.145 1.00 0.00 O ATOM 801 CB HIS A 55 -11.478 -24.003 -3.801 1.00 0.00 C ATOM 802 CG HIS A 55 -11.742 -22.699 -4.488 1.00 0.00 C ATOM 803 ND1 HIS A 55 -11.849 -21.501 -3.813 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.918 -22.408 -5.798 1.00 0.00 C ATOM 805 CE1 HIS A 55 -12.082 -20.530 -4.678 1.00 0.00 C ATOM 806 NE2 HIS A 55 -12.128 -21.054 -5.889 1.00 0.00 N ATOM 0 H HIS A 55 -11.358 -26.028 -2.391 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.135 -23.817 -2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.679 -23.865 -3.072 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.119 -24.725 -4.535 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.762 -21.383 -2.804 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.897 -23.110 -6.619 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.213 -19.486 -4.436 1.00 0.00 H new ATOM 814 N LEU A 56 -13.397 -25.950 -4.972 1.00 0.00 N ATOM 815 CA LEU A 56 -14.307 -26.434 -6.004 1.00 0.00 C ATOM 816 C LEU A 56 -15.706 -26.653 -5.437 1.00 0.00 C ATOM 817 O LEU A 56 -16.691 -26.660 -6.175 1.00 0.00 O ATOM 818 CB LEU A 56 -13.779 -27.736 -6.607 1.00 0.00 C ATOM 819 CG LEU A 56 -12.372 -27.678 -7.203 1.00 0.00 C ATOM 820 CD1 LEU A 56 -11.835 -29.080 -7.442 1.00 0.00 C ATOM 821 CD2 LEU A 56 -12.373 -26.878 -8.497 1.00 0.00 C ATOM 0 H LEU A 56 -12.485 -26.406 -4.967 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.366 -25.677 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.793 -28.503 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.469 -28.058 -7.387 1.00 0.00 H new ATOM 0 HG LEU A 56 -11.717 -27.177 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.833 -29.018 -7.866 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.796 -29.621 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.491 -29.608 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.363 -26.847 -8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.042 -27.350 -9.216 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.714 -25.862 -8.297 1.00 0.00 H new ATOM 833 N ARG A 57 -15.785 -26.830 -4.122 1.00 0.00 N ATOM 834 CA ARG A 57 -17.063 -27.048 -3.456 1.00 0.00 C ATOM 835 C ARG A 57 -17.886 -25.764 -3.424 1.00 0.00 C ATOM 836 O ARG A 57 -19.081 -25.773 -3.719 1.00 0.00 O ATOM 837 CB ARG A 57 -16.840 -27.560 -2.032 1.00 0.00 C ATOM 838 CG ARG A 57 -15.840 -28.701 -1.944 1.00 0.00 C ATOM 839 CD ARG A 57 -16.168 -29.642 -0.795 1.00 0.00 C ATOM 840 NE ARG A 57 -15.515 -29.238 0.447 1.00 0.00 N ATOM 841 CZ ARG A 57 -15.271 -30.069 1.453 1.00 0.00 C ATOM 842 NH1 ARG A 57 -15.622 -31.345 1.364 1.00 0.00 N ATOM 843 NH2 ARG A 57 -14.672 -29.626 2.551 1.00 0.00 N ATOM 0 H ARG A 57 -14.979 -26.827 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.615 -27.798 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.493 -26.736 -1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.793 -27.891 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.837 -29.257 -2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.836 -28.297 -1.810 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.247 -29.668 -0.645 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.857 -30.654 -1.055 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.231 -28.264 0.547 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.081 -31.690 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.433 -31.981 2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.399 -28.646 2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.485 -30.265 3.323 1.00 0.00 H new ATOM 857 N ILE A 58 -17.238 -24.661 -3.062 1.00 0.00 N ATOM 858 CA ILE A 58 -17.909 -23.369 -2.992 1.00 0.00 C ATOM 859 C ILE A 58 -18.619 -23.047 -4.303 1.00 0.00 C ATOM 860 O ILE A 58 -19.685 -22.430 -4.309 1.00 0.00 O ATOM 861 CB ILE A 58 -16.918 -22.237 -2.665 1.00 0.00 C ATOM 862 CG1 ILE A 58 -16.332 -21.655 -3.953 1.00 0.00 C ATOM 863 CG2 ILE A 58 -15.810 -22.748 -1.757 1.00 0.00 C ATOM 864 CD1 ILE A 58 -15.300 -20.576 -3.714 1.00 0.00 C ATOM 0 H ILE A 58 -16.249 -24.637 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 58 -18.645 -23.438 -2.191 1.00 0.00 H new ATOM 0 HB ILE A 58 -17.454 -21.446 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -15.878 -22.459 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -17.141 -21.245 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -15.118 -21.936 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -16.243 -23.120 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -15.274 -23.555 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.928 -20.210 -4.671 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -15.755 -19.753 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -14.472 -20.986 -3.136 1.00 0.00 H new ATOM 876 N HIS A 59 -18.021 -23.469 -5.412 1.00 0.00 N ATOM 877 CA HIS A 59 -18.597 -23.227 -6.730 1.00 0.00 C ATOM 878 C HIS A 59 -19.898 -24.004 -6.906 1.00 0.00 C ATOM 879 O HIS A 59 -19.910 -25.092 -7.482 1.00 0.00 O ATOM 880 CB HIS A 59 -17.604 -23.619 -7.824 1.00 0.00 C ATOM 881 CG HIS A 59 -16.435 -22.689 -7.934 1.00 0.00 C ATOM 882 ND1 HIS A 59 -16.450 -21.552 -8.714 1.00 0.00 N ATOM 883 CD2 HIS A 59 -15.212 -22.732 -7.356 1.00 0.00 C ATOM 884 CE1 HIS A 59 -15.285 -20.936 -8.612 1.00 0.00 C ATOM 885 NE2 HIS A 59 -14.517 -21.632 -7.793 1.00 0.00 N ATOM 0 H HIS A 59 -17.138 -23.980 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 59 -18.816 -22.162 -6.813 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -17.239 -24.627 -7.627 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.124 -23.650 -8.781 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -17.237 -21.236 -9.281 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.850 -23.490 -6.677 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -15.008 -20.020 -9.113 1.00 0.00 H new ATOM 893 N SER A 60 -20.992 -23.438 -6.404 1.00 0.00 N ATOM 894 CA SER A 60 -22.298 -24.081 -6.501 1.00 0.00 C ATOM 895 C SER A 60 -22.941 -23.801 -7.856 1.00 0.00 C ATOM 896 O SER A 60 -23.140 -24.711 -8.661 1.00 0.00 O ATOM 897 CB SER A 60 -23.214 -23.592 -5.378 1.00 0.00 C ATOM 898 OG SER A 60 -22.664 -23.887 -4.106 1.00 0.00 O ATOM 0 H SER A 60 -21.000 -22.537 -5.927 1.00 0.00 H new ATOM 0 HA SER A 60 -22.155 -25.157 -6.401 1.00 0.00 H new ATOM 0 HB2 SER A 60 -23.366 -22.517 -5.471 1.00 0.00 H new ATOM 0 HB3 SER A 60 -24.193 -24.062 -5.472 1.00 0.00 H new ATOM 0 HG SER A 60 -23.268 -23.563 -3.405 1.00 0.00 H new ATOM 904 N ASP A 61 -23.264 -22.536 -8.101 1.00 0.00 N ATOM 905 CA ASP A 61 -23.885 -22.134 -9.358 1.00 0.00 C ATOM 906 C ASP A 61 -23.381 -20.763 -9.799 1.00 0.00 C ATOM 907 O ASP A 61 -22.796 -20.024 -9.009 1.00 0.00 O ATOM 908 CB ASP A 61 -25.407 -22.110 -9.215 1.00 0.00 C ATOM 909 CG ASP A 61 -25.862 -21.333 -7.995 1.00 0.00 C ATOM 910 OD1 ASP A 61 -25.783 -21.884 -6.877 1.00 0.00 O ATOM 911 OD2 ASP A 61 -26.297 -20.174 -8.159 1.00 0.00 O ATOM 0 H ASP A 61 -23.106 -21.771 -7.445 1.00 0.00 H new ATOM 0 HA ASP A 61 -23.611 -22.864 -10.120 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -25.846 -21.667 -10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -25.779 -23.132 -9.150 1.00 0.00 H new ATOM 916 N GLU A 62 -23.611 -20.433 -11.066 1.00 0.00 N ATOM 917 CA GLU A 62 -23.179 -19.152 -11.611 1.00 0.00 C ATOM 918 C GLU A 62 -24.209 -18.063 -11.326 1.00 0.00 C ATOM 919 O GLU A 62 -25.387 -18.350 -11.112 1.00 0.00 O ATOM 920 CB GLU A 62 -22.946 -19.267 -13.119 1.00 0.00 C ATOM 921 CG GLU A 62 -21.870 -18.330 -13.643 1.00 0.00 C ATOM 922 CD GLU A 62 -21.615 -18.506 -15.127 1.00 0.00 C ATOM 923 OE1 GLU A 62 -22.581 -18.397 -15.911 1.00 0.00 O ATOM 924 OE2 GLU A 62 -20.451 -18.753 -15.504 1.00 0.00 O ATOM 0 H GLU A 62 -24.094 -21.035 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.243 -18.877 -11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -22.669 -20.294 -13.358 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.881 -19.060 -13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -22.165 -17.299 -13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -20.944 -18.505 -13.096 1.00 0.00 H new ATOM 931 N ARG A 63 -23.756 -16.814 -11.325 1.00 0.00 N ATOM 932 CA ARG A 63 -24.637 -15.682 -11.065 1.00 0.00 C ATOM 933 C ARG A 63 -24.594 -14.683 -12.217 1.00 0.00 C ATOM 934 O ARG A 63 -23.598 -13.993 -12.435 1.00 0.00 O ATOM 935 CB ARG A 63 -24.241 -14.989 -9.760 1.00 0.00 C ATOM 936 CG ARG A 63 -24.468 -15.844 -8.523 1.00 0.00 C ATOM 937 CD ARG A 63 -23.597 -15.387 -7.363 1.00 0.00 C ATOM 938 NE ARG A 63 -23.303 -16.478 -6.437 1.00 0.00 N ATOM 939 CZ ARG A 63 -22.580 -16.329 -5.333 1.00 0.00 C ATOM 940 NH1 ARG A 63 -22.081 -15.142 -5.018 1.00 0.00 N ATOM 941 NH2 ARG A 63 -22.355 -17.370 -4.541 1.00 0.00 N ATOM 0 H ARG A 63 -22.784 -16.560 -11.501 1.00 0.00 H new ATOM 0 HA ARG A 63 -25.655 -16.060 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -23.188 -14.711 -9.811 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -24.810 -14.065 -9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -25.518 -15.795 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -24.250 -16.886 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -22.664 -14.978 -7.750 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -24.100 -14.582 -6.827 1.00 0.00 H new ATOM 0 HE ARG A 63 -23.673 -17.404 -6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -22.252 -14.340 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.526 -15.031 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.737 -18.285 -4.780 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -21.800 -17.255 -3.693 1.00 0.00 H new ATOM 955 N PRO A 64 -25.699 -14.603 -12.973 1.00 0.00 N ATOM 956 CA PRO A 64 -25.812 -13.691 -14.116 1.00 0.00 C ATOM 957 C PRO A 64 -25.881 -12.230 -13.687 1.00 0.00 C ATOM 958 O PRO A 64 -25.334 -11.350 -14.352 1.00 0.00 O ATOM 959 CB PRO A 64 -27.124 -14.116 -14.780 1.00 0.00 C ATOM 960 CG PRO A 64 -27.920 -14.737 -13.684 1.00 0.00 C ATOM 961 CD PRO A 64 -26.923 -15.395 -12.770 1.00 0.00 C ATOM 0 HA PRO A 64 -24.945 -13.753 -14.774 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -27.644 -13.261 -15.212 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -26.947 -14.823 -15.590 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -28.502 -13.986 -13.150 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -28.627 -15.466 -14.080 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -27.251 -15.368 -11.731 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -26.771 -16.443 -13.029 1.00 0.00 H new ATOM 969 N PHE A 65 -26.556 -11.977 -12.570 1.00 0.00 N ATOM 970 CA PHE A 65 -26.697 -10.621 -12.053 1.00 0.00 C ATOM 971 C PHE A 65 -25.405 -10.156 -11.388 1.00 0.00 C ATOM 972 O PHE A 65 -24.771 -10.904 -10.644 1.00 0.00 O ATOM 973 CB PHE A 65 -27.853 -10.552 -11.052 1.00 0.00 C ATOM 974 CG PHE A 65 -29.200 -10.410 -11.701 1.00 0.00 C ATOM 975 CD1 PHE A 65 -29.505 -9.289 -12.456 1.00 0.00 C ATOM 976 CD2 PHE A 65 -30.161 -11.398 -11.557 1.00 0.00 C ATOM 977 CE1 PHE A 65 -30.745 -9.155 -13.053 1.00 0.00 C ATOM 978 CE2 PHE A 65 -31.402 -11.270 -12.152 1.00 0.00 C ATOM 979 CZ PHE A 65 -31.693 -10.148 -12.902 1.00 0.00 C ATOM 0 H PHE A 65 -27.014 -12.693 -12.006 1.00 0.00 H new ATOM 0 HA PHE A 65 -26.912 -9.959 -12.892 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -27.847 -11.454 -10.439 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -27.692 -9.709 -10.380 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -28.766 -8.511 -12.580 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -29.938 -12.279 -10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -30.972 -8.275 -13.637 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -32.143 -12.046 -12.030 1.00 0.00 H new ATOM 0 HZ PHE A 65 -32.661 -10.047 -13.370 1.00 0.00 H new ATOM 989 N LYS A 66 -25.020 -8.914 -11.661 1.00 0.00 N ATOM 990 CA LYS A 66 -23.804 -8.346 -11.091 1.00 0.00 C ATOM 991 C LYS A 66 -24.018 -6.888 -10.696 1.00 0.00 C ATOM 992 O LYS A 66 -24.504 -6.084 -11.492 1.00 0.00 O ATOM 993 CB LYS A 66 -22.650 -8.451 -12.089 1.00 0.00 C ATOM 994 CG LYS A 66 -22.328 -9.878 -12.499 1.00 0.00 C ATOM 995 CD LYS A 66 -21.492 -10.585 -11.445 1.00 0.00 C ATOM 996 CE LYS A 66 -21.086 -11.979 -11.899 1.00 0.00 C ATOM 997 NZ LYS A 66 -20.106 -11.935 -13.019 1.00 0.00 N ATOM 0 H LYS A 66 -25.533 -8.281 -12.274 1.00 0.00 H new ATOM 0 HA LYS A 66 -23.553 -8.914 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.897 -7.873 -12.979 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -21.760 -7.998 -11.652 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -23.254 -10.429 -12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -21.791 -9.873 -13.448 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.600 -9.996 -11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.058 -10.654 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.653 -12.523 -11.059 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.972 -12.531 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.715 -12.886 -13.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.582 -11.610 -13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.336 -11.278 -12.781 1.00 0.00 H new ATOM 1011 N CYS A 67 -23.650 -6.553 -9.464 1.00 0.00 N ATOM 1012 CA CYS A 67 -23.801 -5.192 -8.963 1.00 0.00 C ATOM 1013 C CYS A 67 -22.740 -4.273 -9.562 1.00 0.00 C ATOM 1014 O CYS A 67 -21.560 -4.618 -9.607 1.00 0.00 O ATOM 1015 CB CYS A 67 -23.704 -5.174 -7.437 1.00 0.00 C ATOM 1016 SG CYS A 67 -23.963 -3.531 -6.695 1.00 0.00 S ATOM 0 H CYS A 67 -23.245 -7.206 -8.794 1.00 0.00 H new ATOM 0 HA CYS A 67 -24.784 -4.828 -9.262 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -24.441 -5.866 -7.029 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -22.722 -5.544 -7.142 1.00 0.00 H new ATOM 1021 N GLN A 68 -23.170 -3.102 -10.020 1.00 0.00 N ATOM 1022 CA GLN A 68 -22.258 -2.133 -10.616 1.00 0.00 C ATOM 1023 C GLN A 68 -21.270 -1.607 -9.580 1.00 0.00 C ATOM 1024 O GLN A 68 -20.056 -1.684 -9.771 1.00 0.00 O ATOM 1025 CB GLN A 68 -23.042 -0.970 -11.226 1.00 0.00 C ATOM 1026 CG GLN A 68 -23.590 -1.267 -12.613 1.00 0.00 C ATOM 1027 CD GLN A 68 -24.198 -0.046 -13.274 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -25.297 0.382 -12.922 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -23.484 0.522 -14.239 1.00 0.00 N ATOM 0 H GLN A 68 -24.144 -2.801 -9.990 1.00 0.00 H new ATOM 0 HA GLN A 68 -21.698 -2.637 -11.404 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -23.870 -0.714 -10.565 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -22.395 -0.095 -11.280 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -22.788 -1.654 -13.241 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -24.345 -2.050 -12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.577 0.134 -14.499 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.842 1.347 -14.721 1.00 0.00 H new ATOM 1038 N ILE A 69 -21.798 -1.072 -8.484 1.00 0.00 N ATOM 1039 CA ILE A 69 -20.962 -0.534 -7.418 1.00 0.00 C ATOM 1040 C ILE A 69 -19.950 -1.568 -6.938 1.00 0.00 C ATOM 1041 O ILE A 69 -18.744 -1.404 -7.122 1.00 0.00 O ATOM 1042 CB ILE A 69 -21.810 -0.066 -6.220 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -22.828 0.985 -6.666 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -20.914 0.488 -5.122 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -24.100 0.980 -5.848 1.00 0.00 C ATOM 0 H ILE A 69 -22.801 -1.000 -8.311 1.00 0.00 H new ATOM 0 HA ILE A 69 -20.432 0.323 -7.834 1.00 0.00 H new ATOM 0 HB ILE A 69 -22.353 -0.923 -5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -22.370 1.972 -6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -23.078 0.815 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.527 0.815 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -20.225 -0.288 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -20.347 1.335 -5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -24.775 1.750 -6.220 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -24.581 0.005 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -23.862 1.180 -4.803 1.00 0.00 H new ATOM 1057 N CYS A 70 -20.449 -2.635 -6.323 1.00 0.00 N ATOM 1058 CA CYS A 70 -19.590 -3.698 -5.817 1.00 0.00 C ATOM 1059 C CYS A 70 -19.606 -4.903 -6.754 1.00 0.00 C ATOM 1060 O CYS A 70 -20.578 -5.154 -7.466 1.00 0.00 O ATOM 1061 CB CYS A 70 -20.037 -4.121 -4.416 1.00 0.00 C ATOM 1062 SG CYS A 70 -21.653 -4.962 -4.374 1.00 0.00 S ATOM 0 H CYS A 70 -21.445 -2.786 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 70 -18.571 -3.314 -5.765 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -19.283 -4.783 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -20.082 -3.238 -3.778 1.00 0.00 H new ATOM 1067 N PRO A 71 -18.504 -5.668 -6.753 1.00 0.00 N ATOM 1068 CA PRO A 71 -18.367 -6.859 -7.596 1.00 0.00 C ATOM 1069 C PRO A 71 -19.275 -7.997 -7.144 1.00 0.00 C ATOM 1070 O PRO A 71 -19.195 -9.112 -7.661 1.00 0.00 O ATOM 1071 CB PRO A 71 -16.896 -7.248 -7.424 1.00 0.00 C ATOM 1072 CG PRO A 71 -16.511 -6.693 -6.097 1.00 0.00 C ATOM 1073 CD PRO A 71 -17.307 -5.428 -5.929 1.00 0.00 C ATOM 0 HA PRO A 71 -18.652 -6.662 -8.629 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.766 -8.330 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.280 -6.831 -8.221 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.732 -7.402 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.441 -6.489 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.566 -5.252 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.752 -4.555 -6.271 1.00 0.00 H new ATOM 1081 N TYR A 72 -20.139 -7.709 -6.176 1.00 0.00 N ATOM 1082 CA TYR A 72 -21.062 -8.710 -5.653 1.00 0.00 C ATOM 1083 C TYR A 72 -21.746 -9.466 -6.788 1.00 0.00 C ATOM 1084 O TYR A 72 -21.657 -9.076 -7.951 1.00 0.00 O ATOM 1085 CB TYR A 72 -22.112 -8.048 -4.761 1.00 0.00 C ATOM 1086 CG TYR A 72 -23.205 -8.991 -4.309 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -22.943 -9.998 -3.388 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -24.498 -8.876 -4.804 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -23.937 -10.862 -2.973 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -25.499 -9.735 -4.393 1.00 0.00 C ATOM 1091 CZ TYR A 72 -25.213 -10.726 -3.478 1.00 0.00 C ATOM 1092 OH TYR A 72 -26.208 -11.585 -3.068 1.00 0.00 O ATOM 0 H TYR A 72 -20.219 -6.791 -5.738 1.00 0.00 H new ATOM 0 HA TYR A 72 -20.488 -9.422 -5.060 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -21.619 -7.629 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -22.563 -7.215 -5.301 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -21.945 -10.107 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -24.725 -8.102 -5.522 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -23.716 -11.640 -2.257 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -26.500 -9.631 -4.786 1.00 0.00 H new ATOM 0 HH TYR A 72 -27.081 -11.219 -3.321 1.00 0.00 H new ATOM 1102 N ALA A 73 -22.429 -10.552 -6.439 1.00 0.00 N ATOM 1103 CA ALA A 73 -23.131 -11.362 -7.426 1.00 0.00 C ATOM 1104 C ALA A 73 -24.245 -12.176 -6.776 1.00 0.00 C ATOM 1105 O ALA A 73 -24.125 -12.604 -5.628 1.00 0.00 O ATOM 1106 CB ALA A 73 -22.154 -12.281 -8.145 1.00 0.00 C ATOM 0 H ALA A 73 -22.511 -10.890 -5.480 1.00 0.00 H new ATOM 0 HA ALA A 73 -23.585 -10.690 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -22.692 -12.880 -8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -21.396 -11.682 -8.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -21.674 -12.939 -7.421 1.00 0.00 H new ATOM 1112 N SER A 74 -25.328 -12.386 -7.517 1.00 0.00 N ATOM 1113 CA SER A 74 -26.466 -13.145 -7.011 1.00 0.00 C ATOM 1114 C SER A 74 -27.152 -13.911 -8.137 1.00 0.00 C ATOM 1115 O SER A 74 -27.119 -13.495 -9.295 1.00 0.00 O ATOM 1116 CB SER A 74 -27.467 -12.210 -6.330 1.00 0.00 C ATOM 1117 OG SER A 74 -28.436 -12.944 -5.602 1.00 0.00 O ATOM 0 H SER A 74 -25.442 -12.041 -8.470 1.00 0.00 H new ATOM 0 HA SER A 74 -26.096 -13.864 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 74 -26.939 -11.533 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 74 -27.962 -11.593 -7.080 1.00 0.00 H new ATOM 0 HG SER A 74 -28.505 -12.583 -4.694 1.00 0.00 H new ATOM 1123 N ARG A 75 -27.775 -15.032 -7.788 1.00 0.00 N ATOM 1124 CA ARG A 75 -28.469 -15.858 -8.769 1.00 0.00 C ATOM 1125 C ARG A 75 -29.879 -15.333 -9.021 1.00 0.00 C ATOM 1126 O ARG A 75 -30.314 -15.218 -10.166 1.00 0.00 O ATOM 1127 CB ARG A 75 -28.531 -17.310 -8.292 1.00 0.00 C ATOM 1128 CG ARG A 75 -29.236 -18.241 -9.264 1.00 0.00 C ATOM 1129 CD ARG A 75 -28.284 -18.756 -10.332 1.00 0.00 C ATOM 1130 NE ARG A 75 -28.981 -19.519 -11.365 1.00 0.00 N ATOM 1131 CZ ARG A 75 -28.362 -20.143 -12.361 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -27.040 -20.096 -12.458 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -29.065 -20.817 -13.262 1.00 0.00 N ATOM 0 H ARG A 75 -27.813 -15.389 -6.833 1.00 0.00 H new ATOM 0 HA ARG A 75 -27.911 -15.814 -9.704 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -27.517 -17.673 -8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -29.044 -17.346 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -29.663 -19.083 -8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -30.065 -17.715 -9.737 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -27.765 -17.915 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -27.524 -19.385 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 75 -29.998 -19.576 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.496 -19.580 -11.767 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.567 -20.576 -13.224 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -30.082 -20.856 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.589 -21.296 -14.026 1.00 0.00 H new ATOM 1147 N ASN A 76 -30.589 -15.018 -7.942 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.951 -14.507 -8.046 1.00 0.00 C ATOM 1149 C ASN A 76 -31.950 -12.998 -8.277 1.00 0.00 C ATOM 1150 O ASN A 76 -30.897 -12.360 -8.270 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.741 -14.840 -6.779 1.00 0.00 C ATOM 1152 CG ASN A 76 -32.603 -16.296 -6.378 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -32.798 -17.197 -7.194 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -32.266 -16.532 -5.116 1.00 0.00 N ATOM 0 H ASN A 76 -30.244 -15.108 -6.986 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.428 -14.987 -8.900 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -32.396 -14.207 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -33.794 -14.608 -6.939 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -32.159 -17.492 -4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -32.114 -15.754 -4.475 1.00 0.00 H new ATOM 1161 N SER A 77 -33.136 -12.435 -8.480 1.00 0.00 N ATOM 1162 CA SER A 77 -33.273 -11.003 -8.715 1.00 0.00 C ATOM 1163 C SER A 77 -33.552 -10.262 -7.411 1.00 0.00 C ATOM 1164 O SER A 77 -32.825 -9.340 -7.041 1.00 0.00 O ATOM 1165 CB SER A 77 -34.396 -10.734 -9.718 1.00 0.00 C ATOM 1166 OG SER A 77 -34.139 -9.560 -10.469 1.00 0.00 O ATOM 0 H SER A 77 -34.017 -12.949 -8.486 1.00 0.00 H new ATOM 0 HA SER A 77 -32.333 -10.636 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 77 -34.498 -11.585 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.343 -10.631 -9.189 1.00 0.00 H new ATOM 0 HG SER A 77 -33.463 -9.750 -11.152 1.00 0.00 H new ATOM 1172 N SER A 78 -34.609 -10.673 -6.719 1.00 0.00 N ATOM 1173 CA SER A 78 -34.988 -10.046 -5.458 1.00 0.00 C ATOM 1174 C SER A 78 -33.766 -9.833 -4.569 1.00 0.00 C ATOM 1175 O SER A 78 -33.488 -8.715 -4.138 1.00 0.00 O ATOM 1176 CB SER A 78 -36.021 -10.906 -4.727 1.00 0.00 C ATOM 1177 OG SER A 78 -36.149 -10.509 -3.373 1.00 0.00 O ATOM 0 H SER A 78 -35.218 -11.437 -7.010 1.00 0.00 H new ATOM 0 HA SER A 78 -35.428 -9.074 -5.681 1.00 0.00 H new ATOM 0 HB2 SER A 78 -36.986 -10.823 -5.226 1.00 0.00 H new ATOM 0 HB3 SER A 78 -35.726 -11.954 -4.776 1.00 0.00 H new ATOM 0 HG SER A 78 -36.816 -11.073 -2.928 1.00 0.00 H new ATOM 1183 N GLN A 79 -33.042 -10.915 -4.300 1.00 0.00 N ATOM 1184 CA GLN A 79 -31.851 -10.846 -3.462 1.00 0.00 C ATOM 1185 C GLN A 79 -31.048 -9.584 -3.758 1.00 0.00 C ATOM 1186 O GLN A 79 -30.631 -8.872 -2.843 1.00 0.00 O ATOM 1187 CB GLN A 79 -30.977 -12.083 -3.680 1.00 0.00 C ATOM 1188 CG GLN A 79 -31.630 -13.378 -3.224 1.00 0.00 C ATOM 1189 CD GLN A 79 -31.534 -13.583 -1.725 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -32.499 -13.363 -0.993 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -30.365 -14.009 -1.260 1.00 0.00 N ATOM 0 H GLN A 79 -33.259 -11.848 -4.650 1.00 0.00 H new ATOM 0 HA GLN A 79 -32.172 -10.814 -2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -30.732 -12.163 -4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -30.037 -11.952 -3.145 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -32.679 -13.376 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -31.157 -14.218 -3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -29.592 -14.179 -1.903 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -30.241 -14.166 -0.260 1.00 0.00 H new ATOM 1200 N LEU A 80 -30.835 -9.311 -5.041 1.00 0.00 N ATOM 1201 CA LEU A 80 -30.082 -8.134 -5.458 1.00 0.00 C ATOM 1202 C LEU A 80 -30.840 -6.854 -5.119 1.00 0.00 C ATOM 1203 O LEU A 80 -30.258 -5.883 -4.636 1.00 0.00 O ATOM 1204 CB LEU A 80 -29.800 -8.190 -6.960 1.00 0.00 C ATOM 1205 CG LEU A 80 -29.138 -6.952 -7.566 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -27.657 -6.917 -7.222 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -29.337 -6.925 -9.074 1.00 0.00 C ATOM 0 H LEU A 80 -31.173 -9.889 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.136 -8.128 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -29.162 -9.052 -7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -30.742 -8.365 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.610 -6.066 -7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.202 -6.029 -7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.536 -6.889 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.170 -7.808 -7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -28.859 -6.037 -9.488 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.891 -7.816 -9.516 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -30.403 -6.902 -9.300 1.00 0.00 H new ATOM 1219 N THR A 81 -32.145 -6.861 -5.374 1.00 0.00 N ATOM 1220 CA THR A 81 -32.984 -5.702 -5.096 1.00 0.00 C ATOM 1221 C THR A 81 -32.738 -5.171 -3.688 1.00 0.00 C ATOM 1222 O THR A 81 -32.566 -3.968 -3.489 1.00 0.00 O ATOM 1223 CB THR A 81 -34.479 -6.040 -5.251 1.00 0.00 C ATOM 1224 OG1 THR A 81 -34.738 -6.517 -6.576 1.00 0.00 O ATOM 1225 CG2 THR A 81 -35.342 -4.820 -4.967 1.00 0.00 C ATOM 0 H THR A 81 -32.643 -7.657 -5.773 1.00 0.00 H new ATOM 0 HA THR A 81 -32.715 -4.936 -5.823 1.00 0.00 H new ATOM 0 HB THR A 81 -34.730 -6.818 -4.530 1.00 0.00 H new ATOM 0 HG1 THR A 81 -35.690 -6.731 -6.666 1.00 0.00 H new ATOM 0 HG21 THR A 81 -36.393 -5.083 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 81 -35.164 -4.478 -3.948 1.00 0.00 H new ATOM 0 HG23 THR A 81 -35.088 -4.024 -5.667 1.00 0.00 H new ATOM 1233 N VAL A 82 -32.723 -6.075 -2.714 1.00 0.00 N ATOM 1234 CA VAL A 82 -32.496 -5.697 -1.324 1.00 0.00 C ATOM 1235 C VAL A 82 -31.028 -5.369 -1.076 1.00 0.00 C ATOM 1236 O VAL A 82 -30.704 -4.442 -0.332 1.00 0.00 O ATOM 1237 CB VAL A 82 -32.930 -6.817 -0.360 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -32.648 -6.420 1.081 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -34.403 -7.144 -0.553 1.00 0.00 C ATOM 0 H VAL A 82 -32.865 -7.074 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 82 -33.100 -4.810 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 82 -32.350 -7.712 -0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -32.961 -7.223 1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.580 -6.240 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -33.200 -5.512 1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -34.693 -7.937 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -35.002 -6.255 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -34.571 -7.474 -1.578 1.00 0.00 H new ATOM 1249 N HIS A 83 -30.142 -6.135 -1.704 1.00 0.00 N ATOM 1250 CA HIS A 83 -28.706 -5.925 -1.553 1.00 0.00 C ATOM 1251 C HIS A 83 -28.331 -4.482 -1.875 1.00 0.00 C ATOM 1252 O HIS A 83 -27.487 -3.885 -1.205 1.00 0.00 O ATOM 1253 CB HIS A 83 -27.931 -6.881 -2.461 1.00 0.00 C ATOM 1254 CG HIS A 83 -26.601 -6.347 -2.896 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -25.409 -6.745 -2.328 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -26.278 -5.443 -3.850 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -24.411 -6.107 -2.913 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -24.911 -5.312 -3.841 1.00 0.00 N ATOM 0 H HIS A 83 -30.393 -6.907 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 83 -28.441 -6.127 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -27.781 -7.825 -1.937 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -28.532 -7.099 -3.344 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -25.313 -7.425 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -26.967 -4.922 -4.498 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -23.364 -6.217 -2.673 1.00 0.00 H new ATOM 1266 N LEU A 84 -28.962 -3.927 -2.904 1.00 0.00 N ATOM 1267 CA LEU A 84 -28.694 -2.554 -3.315 1.00 0.00 C ATOM 1268 C LEU A 84 -28.969 -1.580 -2.174 1.00 0.00 C ATOM 1269 O LEU A 84 -28.418 -0.479 -2.138 1.00 0.00 O ATOM 1270 CB LEU A 84 -29.550 -2.188 -4.529 1.00 0.00 C ATOM 1271 CG LEU A 84 -29.143 -2.830 -5.856 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -30.318 -2.855 -6.820 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -27.964 -2.088 -6.468 1.00 0.00 C ATOM 0 H LEU A 84 -29.663 -4.407 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 84 -27.640 -2.481 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -30.583 -2.464 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -29.528 -1.105 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 84 -28.838 -3.858 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -30.009 -3.315 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -31.134 -3.432 -6.384 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -30.655 -1.836 -7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -27.688 -2.559 -7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -28.242 -1.049 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -27.117 -2.124 -5.783 1.00 0.00 H new ATOM 1285 N ARG A 85 -29.821 -1.994 -1.242 1.00 0.00 N ATOM 1286 CA ARG A 85 -30.167 -1.158 -0.098 1.00 0.00 C ATOM 1287 C ARG A 85 -28.933 -0.849 0.743 1.00 0.00 C ATOM 1288 O ARG A 85 -28.975 -0.007 1.639 1.00 0.00 O ATOM 1289 CB ARG A 85 -31.225 -1.850 0.764 1.00 0.00 C ATOM 1290 CG ARG A 85 -32.454 -2.289 -0.016 1.00 0.00 C ATOM 1291 CD ARG A 85 -33.513 -1.199 -0.047 1.00 0.00 C ATOM 1292 NE ARG A 85 -33.364 -0.323 -1.206 1.00 0.00 N ATOM 1293 CZ ARG A 85 -34.343 0.436 -1.685 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -35.536 0.427 -1.107 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -34.129 1.207 -2.743 1.00 0.00 N ATOM 0 H ARG A 85 -30.284 -2.903 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 85 -30.572 -0.219 -0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -30.778 -2.722 1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -31.533 -1.172 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -32.166 -2.547 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -32.870 -3.189 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -34.503 -1.656 -0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -33.450 -0.606 0.866 1.00 0.00 H new ATOM 0 HE ARG A 85 -32.458 -0.292 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -35.704 -0.164 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -36.286 1.011 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -33.212 1.217 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -34.882 1.790 -3.110 1.00 0.00 H new ATOM 1309 N SER A 86 -27.834 -1.538 0.448 1.00 0.00 N ATOM 1310 CA SER A 86 -26.589 -1.340 1.180 1.00 0.00 C ATOM 1311 C SER A 86 -25.840 -0.117 0.659 1.00 0.00 C ATOM 1312 O SER A 86 -25.073 0.512 1.387 1.00 0.00 O ATOM 1313 CB SER A 86 -25.702 -2.582 1.065 1.00 0.00 C ATOM 1314 OG SER A 86 -26.391 -3.742 1.499 1.00 0.00 O ATOM 0 H SER A 86 -27.781 -2.238 -0.292 1.00 0.00 H new ATOM 0 HA SER A 86 -26.836 -1.174 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 86 -25.383 -2.710 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 86 -24.801 -2.446 1.662 1.00 0.00 H new ATOM 0 HG SER A 86 -26.926 -4.100 0.760 1.00 0.00 H new ATOM 1320 N HIS A 87 -26.070 0.213 -0.608 1.00 0.00 N ATOM 1321 CA HIS A 87 -25.418 1.362 -1.228 1.00 0.00 C ATOM 1322 C HIS A 87 -26.384 2.537 -1.344 1.00 0.00 C ATOM 1323 O HIS A 87 -26.351 3.288 -2.320 1.00 0.00 O ATOM 1324 CB HIS A 87 -24.885 0.987 -2.611 1.00 0.00 C ATOM 1325 CG HIS A 87 -24.347 -0.409 -2.688 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -23.391 -0.895 -1.821 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -24.638 -1.425 -3.533 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -23.116 -2.150 -2.132 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -23.860 -2.495 -3.167 1.00 0.00 N ATOM 0 H HIS A 87 -26.702 -0.298 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 87 -24.584 1.661 -0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -25.685 1.100 -3.342 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -24.097 1.687 -2.890 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -22.963 -0.369 -1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -25.350 -1.399 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -22.404 -2.785 -1.626 1.00 0.00 H new ATOM 1337 N THR A 88 -27.245 2.691 -0.343 1.00 0.00 N ATOM 1338 CA THR A 88 -28.221 3.773 -0.333 1.00 0.00 C ATOM 1339 C THR A 88 -28.941 3.852 1.008 1.00 0.00 C ATOM 1340 O THR A 88 -29.346 2.833 1.567 1.00 0.00 O ATOM 1341 CB THR A 88 -29.263 3.600 -1.454 1.00 0.00 C ATOM 1342 OG1 THR A 88 -30.044 4.792 -1.585 1.00 0.00 O ATOM 1343 CG2 THR A 88 -30.177 2.418 -1.165 1.00 0.00 C ATOM 0 H THR A 88 -27.286 2.079 0.472 1.00 0.00 H new ATOM 0 HA THR A 88 -27.669 4.698 -0.500 1.00 0.00 H new ATOM 0 HB THR A 88 -28.732 3.410 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 88 -30.703 4.674 -2.301 1.00 0.00 H new ATOM 0 HG21 THR A 88 -30.905 2.315 -1.970 1.00 0.00 H new ATOM 0 HG22 THR A 88 -29.583 1.507 -1.095 1.00 0.00 H new ATOM 0 HG23 THR A 88 -30.699 2.584 -0.223 1.00 0.00 H new ATOM 1351 N GLY A 89 -29.099 5.069 1.520 1.00 0.00 N ATOM 1352 CA GLY A 89 -29.772 5.257 2.792 1.00 0.00 C ATOM 1353 C GLY A 89 -28.805 5.303 3.958 1.00 0.00 C ATOM 1354 O GLY A 89 -28.990 4.606 4.956 1.00 0.00 O ATOM 0 H GLY A 89 -28.773 5.928 1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -30.345 6.184 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -30.484 4.446 2.946 1.00 0.00 H new ATOM 1358 N ASP A 90 -27.769 6.125 3.833 1.00 0.00 N ATOM 1359 CA ASP A 90 -26.768 6.260 4.886 1.00 0.00 C ATOM 1360 C ASP A 90 -26.718 7.692 5.409 1.00 0.00 C ATOM 1361 O ASP A 90 -25.925 8.507 4.940 1.00 0.00 O ATOM 1362 CB ASP A 90 -25.391 5.846 4.364 1.00 0.00 C ATOM 1363 CG ASP A 90 -25.132 6.341 2.955 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -25.123 7.573 2.752 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -24.940 5.497 2.055 1.00 0.00 O ATOM 0 H ASP A 90 -27.600 6.708 3.013 1.00 0.00 H new ATOM 0 HA ASP A 90 -27.050 5.603 5.708 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -24.621 6.236 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -25.310 4.759 4.385 1.00 0.00 H new ATOM 1370 N SER A 91 -27.573 7.990 6.383 1.00 0.00 N ATOM 1371 CA SER A 91 -27.630 9.325 6.967 1.00 0.00 C ATOM 1372 C SER A 91 -28.195 9.275 8.383 1.00 0.00 C ATOM 1373 O SER A 91 -29.287 8.754 8.609 1.00 0.00 O ATOM 1374 CB SER A 91 -28.484 10.249 6.097 1.00 0.00 C ATOM 1375 OG SER A 91 -29.830 9.807 6.052 1.00 0.00 O ATOM 0 H SER A 91 -28.235 7.325 6.784 1.00 0.00 H new ATOM 0 HA SER A 91 -26.614 9.718 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 91 -28.444 11.264 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 91 -28.075 10.283 5.087 1.00 0.00 H new ATOM 0 HG SER A 91 -30.074 9.414 6.916 1.00 0.00 H new ATOM 1381 N GLY A 92 -27.443 9.821 9.334 1.00 0.00 N ATOM 1382 CA GLY A 92 -27.884 9.828 10.716 1.00 0.00 C ATOM 1383 C GLY A 92 -26.951 10.611 11.618 1.00 0.00 C ATOM 1384 O GLY A 92 -27.031 11.836 11.717 1.00 0.00 O ATOM 0 H GLY A 92 -26.536 10.259 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -28.884 10.257 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -27.956 8.802 11.076 1.00 0.00 H new ATOM 1388 N PRO A 93 -26.043 9.897 12.299 1.00 0.00 N ATOM 1389 CA PRO A 93 -25.074 10.512 13.211 1.00 0.00 C ATOM 1390 C PRO A 93 -24.021 11.330 12.472 1.00 0.00 C ATOM 1391 O PRO A 93 -23.630 10.993 11.355 1.00 0.00 O ATOM 1392 CB PRO A 93 -24.428 9.310 13.905 1.00 0.00 C ATOM 1393 CG PRO A 93 -24.590 8.185 12.943 1.00 0.00 C ATOM 1394 CD PRO A 93 -25.891 8.434 12.231 1.00 0.00 C ATOM 0 HA PRO A 93 -25.548 11.214 13.897 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -23.376 9.497 14.122 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -24.916 9.092 14.855 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -23.759 8.152 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -24.606 7.227 13.462 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -25.859 8.081 11.200 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -26.720 7.921 12.718 1.00 0.00 H new ATOM 1402 N SER A 94 -23.564 12.407 13.104 1.00 0.00 N ATOM 1403 CA SER A 94 -22.558 13.276 12.504 1.00 0.00 C ATOM 1404 C SER A 94 -21.240 12.531 12.316 1.00 0.00 C ATOM 1405 O SER A 94 -20.577 12.165 13.286 1.00 0.00 O ATOM 1406 CB SER A 94 -22.338 14.514 13.376 1.00 0.00 C ATOM 1407 OG SER A 94 -23.427 15.414 13.268 1.00 0.00 O ATOM 0 H SER A 94 -23.874 12.698 14.031 1.00 0.00 H new ATOM 0 HA SER A 94 -22.921 13.590 11.525 1.00 0.00 H new ATOM 0 HB2 SER A 94 -22.213 14.213 14.416 1.00 0.00 H new ATOM 0 HB3 SER A 94 -21.417 15.015 13.076 1.00 0.00 H new ATOM 0 HG SER A 94 -23.263 16.196 13.836 1.00 0.00 H new ATOM 1413 N SER A 95 -20.866 12.311 11.059 1.00 0.00 N ATOM 1414 CA SER A 95 -19.630 11.606 10.742 1.00 0.00 C ATOM 1415 C SER A 95 -18.524 12.590 10.372 1.00 0.00 C ATOM 1416 O SER A 95 -18.778 13.774 10.155 1.00 0.00 O ATOM 1417 CB SER A 95 -19.859 10.622 9.593 1.00 0.00 C ATOM 1418 OG SER A 95 -20.492 9.441 10.052 1.00 0.00 O ATOM 0 H SER A 95 -21.401 12.611 10.244 1.00 0.00 H new ATOM 0 HA SER A 95 -19.319 11.052 11.628 1.00 0.00 H new ATOM 0 HB2 SER A 95 -20.473 11.092 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 95 -18.905 10.371 9.130 1.00 0.00 H new ATOM 0 HG SER A 95 -20.629 8.829 9.299 1.00 0.00 H new ATOM 1424 N GLY A 96 -17.294 12.089 10.301 1.00 0.00 N ATOM 1425 CA GLY A 96 -16.167 12.936 9.957 1.00 0.00 C ATOM 1426 C GLY A 96 -15.117 12.204 9.146 1.00 0.00 C ATOM 1427 O GLY A 96 -15.430 11.171 8.555 1.00 0.00 O ATOM 0 H GLY A 96 -17.058 11.112 10.476 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -16.523 13.797 9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.713 13.320 10.871 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 2.279 -6.258 -4.583 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -12.752 -20.918 -7.733 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -23.538 -3.853 -4.471 1.00 0.00 ZN