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 53 GLN : amide:sc= -0.856 K(o=-0.28,f=-1.6) USER MOD Set 1.2: A 54 ASN : amide:sc= 0.578 K(o=-0.28,f=-1.6) USER MOD Set 2.1: A 38 CYS SG : rot 180:sc= 0.198 USER MOD Set 2.2: A 62 CYS SG : rot 120:sc= -0.32 USER MOD Set 3.1: A 22 LYS NZ :NH3+ -169:sc= 0.603 (180deg=0) USER MOD Set 3.2: A 33 SER OG : rot -33:sc= 0.572 USER MOD Set 4.1: A 8 CYS SG : rot 143:sc= -0.125 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -0.714 K(o=-0.84,f=-2.8) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.144 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -40:sc= 0.0176 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 11 CYS SG : rot 180:sc= -3! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0202) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -43:sc= 0.344 USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.56) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.241 USER MOD Single : A 37 ASN : amide:sc= -0.294 K(o=-0.29,f=-2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 180:sc= -0.307 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 31:sc= 0.0515 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -71:sc= -0.446 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 39:sc= 0.318 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0016 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.0274 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.642 -24.823 1.711 1.00 0.00 N ATOM 2 CA GLY A 1 6.472 -23.748 1.150 1.00 0.00 C ATOM 3 C GLY A 1 7.025 -22.887 2.268 1.00 0.00 C ATOM 4 O GLY A 1 6.633 -23.038 3.424 1.00 0.00 O ATOM 0 H1 GLY A 1 6.102 -25.741 1.542 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.528 -24.676 2.734 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.708 -24.814 1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.290 -24.174 0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.880 -23.138 0.468 1.00 0.00 H new ATOM 8 N SER A 2 7.987 -22.017 1.956 1.00 0.00 N ATOM 9 CA SER A 2 8.583 -21.139 2.954 1.00 0.00 C ATOM 10 C SER A 2 8.868 -19.751 2.358 1.00 0.00 C ATOM 11 O SER A 2 8.470 -19.465 1.224 1.00 0.00 O ATOM 12 CB SER A 2 9.776 -21.847 3.612 1.00 0.00 C ATOM 13 OG SER A 2 10.598 -22.546 2.693 1.00 0.00 O ATOM 0 H SER A 2 8.368 -21.904 1.017 1.00 0.00 H new ATOM 0 HA SER A 2 7.885 -20.936 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.381 -21.109 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.405 -22.547 4.360 1.00 0.00 H new ATOM 0 HG SER A 2 11.338 -22.972 3.174 1.00 0.00 H new ATOM 19 N SER A 3 9.525 -18.867 3.113 1.00 0.00 N ATOM 20 CA SER A 3 9.895 -17.509 2.722 1.00 0.00 C ATOM 21 C SER A 3 8.685 -16.579 2.485 1.00 0.00 C ATOM 22 O SER A 3 8.878 -15.466 1.998 1.00 0.00 O ATOM 23 CB SER A 3 10.904 -17.595 1.551 1.00 0.00 C ATOM 24 OG SER A 3 11.698 -16.432 1.365 1.00 0.00 O ATOM 0 H SER A 3 9.827 -19.093 4.061 1.00 0.00 H new ATOM 0 HA SER A 3 10.394 -17.013 3.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.564 -18.446 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.355 -17.795 0.631 1.00 0.00 H new ATOM 0 HG SER A 3 11.146 -15.634 1.501 1.00 0.00 H new ATOM 30 N GLY A 4 7.458 -16.974 2.844 1.00 0.00 N ATOM 31 CA GLY A 4 6.247 -16.169 2.674 1.00 0.00 C ATOM 32 C GLY A 4 5.397 -16.154 3.945 1.00 0.00 C ATOM 33 O GLY A 4 5.734 -16.814 4.934 1.00 0.00 O ATOM 0 H GLY A 4 7.277 -17.883 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.522 -15.148 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.659 -16.566 1.847 1.00 0.00 H new ATOM 37 N SER A 5 4.310 -15.383 3.944 1.00 0.00 N ATOM 38 CA SER A 5 3.382 -15.258 5.066 1.00 0.00 C ATOM 39 C SER A 5 2.015 -15.831 4.696 1.00 0.00 C ATOM 40 O SER A 5 1.709 -15.993 3.512 1.00 0.00 O ATOM 41 CB SER A 5 3.210 -13.783 5.432 1.00 0.00 C ATOM 42 OG SER A 5 4.447 -13.148 5.701 1.00 0.00 O ATOM 0 H SER A 5 4.044 -14.813 3.141 1.00 0.00 H new ATOM 0 HA SER A 5 3.791 -15.811 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.708 -13.264 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.564 -13.701 6.306 1.00 0.00 H new ATOM 0 HG SER A 5 4.289 -12.208 5.928 1.00 0.00 H new ATOM 48 N SER A 6 1.184 -16.067 5.713 1.00 0.00 N ATOM 49 CA SER A 6 -0.164 -16.600 5.577 1.00 0.00 C ATOM 50 C SER A 6 -1.054 -16.005 6.671 1.00 0.00 C ATOM 51 O SER A 6 -0.553 -15.604 7.731 1.00 0.00 O ATOM 52 CB SER A 6 -0.122 -18.126 5.707 1.00 0.00 C ATOM 53 OG SER A 6 0.850 -18.695 4.854 1.00 0.00 O ATOM 0 H SER A 6 1.443 -15.885 6.683 1.00 0.00 H new ATOM 0 HA SER A 6 -0.571 -16.336 4.601 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.096 -18.398 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.102 -18.539 5.469 1.00 0.00 H new ATOM 0 HG SER A 6 0.851 -19.669 4.963 1.00 0.00 H new ATOM 59 N GLY A 7 -2.369 -15.979 6.446 1.00 0.00 N ATOM 60 CA GLY A 7 -3.367 -15.459 7.371 1.00 0.00 C ATOM 61 C GLY A 7 -3.504 -13.937 7.299 1.00 0.00 C ATOM 62 O GLY A 7 -2.755 -13.281 6.568 1.00 0.00 O ATOM 0 H GLY A 7 -2.779 -16.333 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.332 -15.917 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.099 -15.748 8.387 1.00 0.00 H new ATOM 66 N CYS A 8 -4.432 -13.371 8.097 1.00 0.00 N ATOM 67 CA CYS A 8 -4.700 -11.924 8.152 1.00 0.00 C ATOM 68 C CYS A 8 -3.388 -11.193 8.384 1.00 0.00 C ATOM 69 O CYS A 8 -2.878 -11.332 9.485 1.00 0.00 O ATOM 70 CB CYS A 8 -5.684 -11.522 9.289 1.00 0.00 C ATOM 71 SG CYS A 8 -6.338 -9.845 9.114 1.00 0.00 S ATOM 0 H CYS A 8 -5.022 -13.914 8.728 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.163 -11.651 7.204 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.514 -12.228 9.307 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.173 -11.606 10.248 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.581 -9.822 9.495 1.00 0.00 H new ATOM 76 N VAL A 9 -2.885 -10.370 7.469 1.00 0.00 N ATOM 77 CA VAL A 9 -1.613 -9.661 7.687 1.00 0.00 C ATOM 78 C VAL A 9 -1.612 -8.842 8.988 1.00 0.00 C ATOM 79 O VAL A 9 -0.566 -8.599 9.588 1.00 0.00 O ATOM 80 CB VAL A 9 -1.327 -8.783 6.459 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.035 -7.979 6.582 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.274 -9.641 5.197 1.00 0.00 C ATOM 0 H VAL A 9 -3.330 -10.173 6.572 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.816 -10.394 7.806 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.147 -8.067 6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.108 -7.381 5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.097 -7.321 7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.807 -8.660 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.071 -9.007 4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.483 -10.384 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.231 -10.145 5.059 1.00 0.00 H new ATOM 92 N ALA A 10 -2.791 -8.452 9.471 1.00 0.00 N ATOM 93 CA ALA A 10 -2.970 -7.669 10.682 1.00 0.00 C ATOM 94 C ALA A 10 -3.056 -8.518 11.966 1.00 0.00 C ATOM 95 O ALA A 10 -3.271 -7.937 13.028 1.00 0.00 O ATOM 96 CB ALA A 10 -4.197 -6.773 10.486 1.00 0.00 C ATOM 0 H ALA A 10 -3.672 -8.682 9.012 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.081 -7.058 10.838 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.356 -6.172 11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.035 -6.115 9.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.075 -7.393 10.305 1.00 0.00 H new ATOM 102 N CYS A 11 -2.980 -9.857 11.922 1.00 0.00 N ATOM 103 CA CYS A 11 -3.041 -10.706 13.132 1.00 0.00 C ATOM 104 C CYS A 11 -2.400 -12.095 12.986 1.00 0.00 C ATOM 105 O CYS A 11 -2.246 -12.815 13.970 1.00 0.00 O ATOM 106 CB CYS A 11 -4.498 -10.906 13.559 1.00 0.00 C ATOM 107 SG CYS A 11 -5.318 -12.236 12.661 1.00 0.00 S ATOM 0 H CYS A 11 -2.875 -10.383 11.055 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.461 -10.164 13.878 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.532 -11.121 14.627 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.047 -9.977 13.404 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.545 -12.348 13.076 1.00 0.00 H new ATOM 112 N SER A 12 -2.073 -12.485 11.762 1.00 0.00 N ATOM 113 CA SER A 12 -1.487 -13.743 11.355 1.00 0.00 C ATOM 114 C SER A 12 -2.289 -14.938 11.887 1.00 0.00 C ATOM 115 O SER A 12 -1.773 -15.778 12.623 1.00 0.00 O ATOM 116 CB SER A 12 0.015 -13.784 11.668 1.00 0.00 C ATOM 117 OG SER A 12 0.640 -14.828 10.946 1.00 0.00 O ATOM 0 H SER A 12 -2.227 -11.871 10.962 1.00 0.00 H new ATOM 0 HA SER A 12 -1.553 -13.827 10.270 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.473 -12.829 11.410 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.166 -13.931 12.737 1.00 0.00 H new ATOM 0 HG SER A 12 1.598 -14.842 11.154 1.00 0.00 H new ATOM 123 N LYS A 13 -3.580 -14.995 11.539 1.00 0.00 N ATOM 124 CA LYS A 13 -4.483 -16.088 11.918 1.00 0.00 C ATOM 125 C LYS A 13 -4.976 -16.781 10.654 1.00 0.00 C ATOM 126 O LYS A 13 -5.186 -16.081 9.655 1.00 0.00 O ATOM 127 CB LYS A 13 -5.684 -15.633 12.747 1.00 0.00 C ATOM 128 CG LYS A 13 -5.269 -15.307 14.187 1.00 0.00 C ATOM 129 CD LYS A 13 -5.222 -16.556 15.077 1.00 0.00 C ATOM 130 CE LYS A 13 -4.723 -16.261 16.495 1.00 0.00 C ATOM 131 NZ LYS A 13 -5.595 -15.316 17.219 1.00 0.00 N ATOM 0 H LYS A 13 -4.033 -14.273 10.978 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.911 -16.768 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.135 -14.754 12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.443 -16.415 12.752 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.289 -14.831 14.181 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.970 -14.588 14.611 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.219 -16.994 15.132 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.572 -17.300 14.616 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.660 -17.194 17.055 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.714 -15.852 16.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.251 -15.203 18.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.582 -14.394 16.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.568 -15.684 17.236 1.00 0.00 H new ATOM 145 N PRO A 14 -5.216 -18.098 10.713 1.00 0.00 N ATOM 146 CA PRO A 14 -5.659 -18.894 9.583 1.00 0.00 C ATOM 147 C PRO A 14 -7.067 -18.536 9.097 1.00 0.00 C ATOM 148 O PRO A 14 -8.062 -18.676 9.819 1.00 0.00 O ATOM 149 CB PRO A 14 -5.532 -20.357 10.030 1.00 0.00 C ATOM 150 CG PRO A 14 -5.584 -20.308 11.552 1.00 0.00 C ATOM 151 CD PRO A 14 -4.989 -18.942 11.880 1.00 0.00 C ATOM 0 HA PRO A 14 -5.041 -18.695 8.707 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.342 -20.965 9.626 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.598 -20.797 9.681 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.605 -20.402 11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.007 -21.116 12.000 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.462 -18.516 12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.924 -19.025 12.097 1.00 0.00 H new ATOM 159 N ILE A 15 -7.131 -18.004 7.878 1.00 0.00 N ATOM 160 CA ILE A 15 -8.354 -17.629 7.164 1.00 0.00 C ATOM 161 C ILE A 15 -8.866 -18.939 6.520 1.00 0.00 C ATOM 162 O ILE A 15 -8.120 -19.921 6.425 1.00 0.00 O ATOM 163 CB ILE A 15 -8.030 -16.510 6.129 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.617 -15.211 6.872 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.209 -16.199 5.183 1.00 0.00 C ATOM 166 CD1 ILE A 15 -7.092 -14.085 5.968 1.00 0.00 C ATOM 0 H ILE A 15 -6.291 -17.813 7.333 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.127 -17.211 7.808 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.211 -16.882 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.478 -14.839 7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.848 -15.458 7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.919 -15.412 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.474 -17.097 4.625 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.067 -15.868 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.830 -13.221 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.209 -14.431 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.864 -13.803 5.252 1.00 0.00 H new ATOM 178 N SER A 16 -10.135 -19.005 6.110 1.00 0.00 N ATOM 179 CA SER A 16 -10.671 -20.207 5.479 1.00 0.00 C ATOM 180 C SER A 16 -9.974 -20.472 4.144 1.00 0.00 C ATOM 181 O SER A 16 -9.557 -19.541 3.454 1.00 0.00 O ATOM 182 CB SER A 16 -12.172 -20.085 5.237 1.00 0.00 C ATOM 183 OG SER A 16 -12.841 -19.470 6.322 1.00 0.00 O ATOM 0 H SER A 16 -10.806 -18.242 6.204 1.00 0.00 H new ATOM 0 HA SER A 16 -10.488 -21.038 6.161 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.346 -19.506 4.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.593 -21.076 5.068 1.00 0.00 H new ATOM 0 HG SER A 16 -13.799 -19.411 6.124 1.00 0.00 H new ATOM 189 N GLY A 17 -9.950 -21.736 3.723 1.00 0.00 N ATOM 190 CA GLY A 17 -9.320 -22.183 2.493 1.00 0.00 C ATOM 191 C GLY A 17 -10.112 -21.874 1.228 1.00 0.00 C ATOM 192 O GLY A 17 -10.414 -22.797 0.476 1.00 0.00 O ATOM 0 H GLY A 17 -10.383 -22.496 4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.337 -21.718 2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.160 -23.260 2.552 1.00 0.00 H new ATOM 196 N LEU A 18 -10.479 -20.606 1.012 1.00 0.00 N ATOM 197 CA LEU A 18 -11.209 -20.062 -0.144 1.00 0.00 C ATOM 198 C LEU A 18 -12.599 -20.669 -0.407 1.00 0.00 C ATOM 199 O LEU A 18 -13.280 -20.235 -1.335 1.00 0.00 O ATOM 200 CB LEU A 18 -10.317 -20.158 -1.403 1.00 0.00 C ATOM 201 CG LEU A 18 -9.144 -19.161 -1.498 1.00 0.00 C ATOM 202 CD1 LEU A 18 -8.153 -19.217 -0.325 1.00 0.00 C ATOM 203 CD2 LEU A 18 -8.379 -19.470 -2.787 1.00 0.00 C ATOM 0 H LEU A 18 -10.258 -19.877 1.690 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.423 -19.023 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.910 -21.168 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.950 -20.023 -2.280 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.578 -18.161 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.364 -18.481 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.677 -18.997 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.714 -20.213 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.540 -18.781 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.006 -20.494 -2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.045 -19.355 -3.642 1.00 0.00 H new ATOM 215 N THR A 19 -13.096 -21.544 0.466 1.00 0.00 N ATOM 216 CA THR A 19 -14.376 -22.250 0.389 1.00 0.00 C ATOM 217 C THR A 19 -15.648 -21.366 0.528 1.00 0.00 C ATOM 218 O THR A 19 -16.733 -21.890 0.792 1.00 0.00 O ATOM 219 CB THR A 19 -14.292 -23.414 1.409 1.00 0.00 C ATOM 220 OG1 THR A 19 -15.333 -24.350 1.215 1.00 0.00 O ATOM 221 CG2 THR A 19 -14.271 -22.934 2.866 1.00 0.00 C ATOM 0 H THR A 19 -12.578 -21.797 1.307 1.00 0.00 H new ATOM 0 HA THR A 19 -14.516 -22.629 -0.623 1.00 0.00 H new ATOM 0 HB THR A 19 -13.338 -23.907 1.220 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.175 -23.874 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 19 -14.212 -23.795 3.532 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.405 -22.292 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.182 -22.374 3.078 1.00 0.00 H new ATOM 229 N GLY A 20 -15.577 -20.041 0.361 1.00 0.00 N ATOM 230 CA GLY A 20 -16.734 -19.145 0.480 1.00 0.00 C ATOM 231 C GLY A 20 -16.652 -18.183 1.666 1.00 0.00 C ATOM 232 O GLY A 20 -17.685 -17.731 2.175 1.00 0.00 O ATOM 0 H GLY A 20 -14.708 -19.556 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.829 -18.566 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -17.639 -19.746 0.574 1.00 0.00 H new ATOM 236 N ALA A 21 -15.447 -17.907 2.163 1.00 0.00 N ATOM 237 CA ALA A 21 -15.265 -16.984 3.272 1.00 0.00 C ATOM 238 C ALA A 21 -15.446 -15.547 2.782 1.00 0.00 C ATOM 239 O ALA A 21 -15.322 -15.257 1.587 1.00 0.00 O ATOM 240 CB ALA A 21 -13.872 -17.164 3.867 1.00 0.00 C ATOM 0 H ALA A 21 -14.581 -18.314 1.810 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.009 -17.192 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.739 -16.471 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.759 -18.187 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.121 -16.963 3.103 1.00 0.00 H new ATOM 246 N LYS A 22 -15.697 -14.635 3.718 1.00 0.00 N ATOM 247 CA LYS A 22 -15.871 -13.213 3.458 1.00 0.00 C ATOM 248 C LYS A 22 -14.556 -12.597 3.927 1.00 0.00 C ATOM 249 O LYS A 22 -14.333 -12.473 5.129 1.00 0.00 O ATOM 250 CB LYS A 22 -17.138 -12.694 4.171 1.00 0.00 C ATOM 251 CG LYS A 22 -17.785 -11.506 3.445 1.00 0.00 C ATOM 252 CD LYS A 22 -16.911 -10.249 3.437 1.00 0.00 C ATOM 253 CE LYS A 22 -17.587 -9.164 2.599 1.00 0.00 C ATOM 254 NZ LYS A 22 -16.690 -8.015 2.378 1.00 0.00 N ATOM 0 H LYS A 22 -15.787 -14.874 4.705 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.048 -12.952 2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.863 -13.504 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.881 -12.396 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -18.004 -11.794 2.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.738 -11.274 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.757 -9.894 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.927 -10.480 3.028 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.890 -9.581 1.638 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.494 -8.828 3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.231 -7.225 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.274 -7.720 3.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.931 -8.288 1.722 1.00 0.00 H new ATOM 268 N PHE A 23 -13.652 -12.283 3.006 1.00 0.00 N ATOM 269 CA PHE A 23 -12.329 -11.715 3.245 1.00 0.00 C ATOM 270 C PHE A 23 -12.030 -10.666 2.177 1.00 0.00 C ATOM 271 O PHE A 23 -12.777 -10.530 1.206 1.00 0.00 O ATOM 272 CB PHE A 23 -11.262 -12.824 3.246 1.00 0.00 C ATOM 273 CG PHE A 23 -11.162 -13.591 1.938 1.00 0.00 C ATOM 274 CD1 PHE A 23 -11.992 -14.705 1.719 1.00 0.00 C ATOM 275 CD2 PHE A 23 -10.283 -13.168 0.923 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.960 -15.392 0.494 1.00 0.00 C ATOM 277 CE2 PHE A 23 -10.253 -13.854 -0.304 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.086 -14.966 -0.520 1.00 0.00 C ATOM 0 H PHE A 23 -13.833 -12.427 2.013 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.309 -11.236 4.224 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.292 -12.380 3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.484 -13.526 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.661 -15.036 2.500 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.634 -12.320 1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -12.604 -16.244 0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.585 -13.524 -1.086 1.00 0.00 H new ATOM 0 HZ PHE A 23 -11.054 -15.491 -1.463 1.00 0.00 H new ATOM 288 N ILE A 24 -11.007 -9.851 2.409 1.00 0.00 N ATOM 289 CA ILE A 24 -10.558 -8.804 1.500 1.00 0.00 C ATOM 290 C ILE A 24 -9.140 -9.194 1.078 1.00 0.00 C ATOM 291 O ILE A 24 -8.450 -9.908 1.816 1.00 0.00 O ATOM 292 CB ILE A 24 -10.593 -7.411 2.180 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.788 -7.183 3.132 1.00 0.00 C ATOM 294 CG2 ILE A 24 -10.551 -6.282 1.131 1.00 0.00 C ATOM 295 CD1 ILE A 24 -13.166 -7.136 2.459 1.00 0.00 C ATOM 0 H ILE A 24 -10.450 -9.903 3.262 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.215 -8.722 0.634 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.698 -7.388 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.794 -7.978 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.631 -6.246 3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.577 -5.316 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.634 -6.362 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -11.412 -6.369 0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.934 -6.972 3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.190 -6.322 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -13.354 -8.081 1.949 1.00 0.00 H new ATOM 307 N CYS A 25 -8.745 -8.802 -0.129 1.00 0.00 N ATOM 308 CA CYS A 25 -7.435 -9.050 -0.699 1.00 0.00 C ATOM 309 C CYS A 25 -6.956 -7.712 -1.244 1.00 0.00 C ATOM 310 O CYS A 25 -7.736 -7.005 -1.888 1.00 0.00 O ATOM 311 CB CYS A 25 -7.526 -10.115 -1.799 1.00 0.00 C ATOM 312 SG CYS A 25 -5.902 -10.367 -2.573 1.00 0.00 S ATOM 0 H CYS A 25 -9.357 -8.282 -0.758 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.733 -9.435 0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.884 -11.054 -1.376 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.251 -9.808 -2.552 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.999 -11.274 -3.500 1.00 0.00 H new ATOM 318 N PHE A 26 -5.703 -7.352 -0.989 1.00 0.00 N ATOM 319 CA PHE A 26 -5.104 -6.120 -1.461 1.00 0.00 C ATOM 320 C PHE A 26 -3.642 -6.418 -1.759 1.00 0.00 C ATOM 321 O PHE A 26 -2.866 -6.678 -0.837 1.00 0.00 O ATOM 322 CB PHE A 26 -5.302 -4.981 -0.454 1.00 0.00 C ATOM 323 CG PHE A 26 -4.702 -3.676 -0.928 1.00 0.00 C ATOM 324 CD1 PHE A 26 -5.164 -3.095 -2.125 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.647 -3.072 -0.216 1.00 0.00 C ATOM 326 CE1 PHE A 26 -4.543 -1.942 -2.628 1.00 0.00 C ATOM 327 CE2 PHE A 26 -3.052 -1.898 -0.708 1.00 0.00 C ATOM 328 CZ PHE A 26 -3.485 -1.348 -1.925 1.00 0.00 C ATOM 0 H PHE A 26 -5.066 -7.925 -0.436 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.588 -5.769 -2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.368 -4.842 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.850 -5.260 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.995 -3.536 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.296 -3.511 0.706 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.881 -1.511 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.261 -1.419 -0.150 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.003 -0.466 -2.320 1.00 0.00 H new ATOM 338 N GLN A 27 -3.266 -6.394 -3.040 1.00 0.00 N ATOM 339 CA GLN A 27 -1.902 -6.667 -3.497 1.00 0.00 C ATOM 340 C GLN A 27 -1.428 -8.026 -2.937 1.00 0.00 C ATOM 341 O GLN A 27 -0.423 -8.130 -2.234 1.00 0.00 O ATOM 342 CB GLN A 27 -0.985 -5.456 -3.185 1.00 0.00 C ATOM 343 CG GLN A 27 -0.838 -4.429 -4.322 1.00 0.00 C ATOM 344 CD GLN A 27 -2.065 -3.573 -4.630 1.00 0.00 C ATOM 345 OE1 GLN A 27 -2.029 -2.354 -4.502 1.00 0.00 O ATOM 346 NE2 GLN A 27 -3.138 -4.164 -5.132 1.00 0.00 N ATOM 0 H GLN A 27 -3.911 -6.181 -3.801 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.861 -6.775 -4.581 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.374 -4.945 -2.304 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.006 -5.829 -2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.011 -3.763 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.558 -4.963 -5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.160 -5.179 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.943 -3.605 -5.416 1.00 0.00 H new ATOM 355 N ASP A 28 -2.206 -9.068 -3.247 1.00 0.00 N ATOM 356 CA ASP A 28 -2.065 -10.490 -2.899 1.00 0.00 C ATOM 357 C ASP A 28 -2.175 -10.809 -1.408 1.00 0.00 C ATOM 358 O ASP A 28 -2.373 -11.969 -1.051 1.00 0.00 O ATOM 359 CB ASP A 28 -0.795 -11.108 -3.510 1.00 0.00 C ATOM 360 CG ASP A 28 -0.972 -11.478 -4.979 1.00 0.00 C ATOM 361 OD1 ASP A 28 -1.364 -10.603 -5.783 1.00 0.00 O ATOM 362 OD2 ASP A 28 -0.724 -12.654 -5.342 1.00 0.00 O ATOM 0 H ASP A 28 -3.043 -8.921 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.937 -10.963 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.031 -10.403 -3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.521 -11.999 -2.945 1.00 0.00 H new ATOM 367 N SER A 29 -2.042 -9.817 -0.534 1.00 0.00 N ATOM 368 CA SER A 29 -2.146 -9.971 0.906 1.00 0.00 C ATOM 369 C SER A 29 -3.634 -10.011 1.262 1.00 0.00 C ATOM 370 O SER A 29 -4.418 -9.287 0.644 1.00 0.00 O ATOM 371 CB SER A 29 -1.436 -8.780 1.526 1.00 0.00 C ATOM 372 OG SER A 29 -0.058 -8.825 1.205 1.00 0.00 O ATOM 0 H SER A 29 -1.853 -8.856 -0.820 1.00 0.00 H new ATOM 0 HA SER A 29 -1.687 -10.887 1.278 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.874 -7.852 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.568 -8.789 2.608 1.00 0.00 H new ATOM 0 HG SER A 29 0.396 -8.054 1.605 1.00 0.00 H new ATOM 378 N GLN A 30 -4.035 -10.785 2.277 1.00 0.00 N ATOM 379 CA GLN A 30 -5.438 -10.925 2.656 1.00 0.00 C ATOM 380 C GLN A 30 -5.705 -10.473 4.094 1.00 0.00 C ATOM 381 O GLN A 30 -4.902 -10.690 5.008 1.00 0.00 O ATOM 382 CB GLN A 30 -5.858 -12.388 2.408 1.00 0.00 C ATOM 383 CG GLN A 30 -5.709 -12.806 0.929 1.00 0.00 C ATOM 384 CD GLN A 30 -5.666 -14.320 0.743 1.00 0.00 C ATOM 385 OE1 GLN A 30 -4.619 -14.901 0.456 1.00 0.00 O ATOM 386 NE2 GLN A 30 -6.793 -15.001 0.885 1.00 0.00 N ATOM 0 H GLN A 30 -3.395 -11.329 2.855 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.048 -10.264 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.252 -13.047 3.031 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.895 -12.522 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.541 -12.398 0.355 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.797 -12.369 0.523 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.657 -14.514 1.123 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.797 -16.013 0.757 1.00 0.00 H new ATOM 395 N TRP A 31 -6.855 -9.822 4.298 1.00 0.00 N ATOM 396 CA TRP A 31 -7.316 -9.315 5.586 1.00 0.00 C ATOM 397 C TRP A 31 -8.780 -9.693 5.837 1.00 0.00 C ATOM 398 O TRP A 31 -9.516 -10.103 4.937 1.00 0.00 O ATOM 399 CB TRP A 31 -7.160 -7.785 5.664 1.00 0.00 C ATOM 400 CG TRP A 31 -5.776 -7.224 5.822 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.264 -6.688 6.957 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.786 -6.949 4.785 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.033 -6.126 6.695 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.711 -6.211 5.362 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.716 -7.195 3.400 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.626 -5.740 4.610 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -3.661 -6.682 2.627 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.610 -5.965 3.226 1.00 0.00 C ATOM 0 H TRP A 31 -7.511 -9.629 3.541 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.696 -9.775 6.356 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.591 -7.359 4.758 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -7.761 -7.430 6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -5.748 -6.700 7.922 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -3.435 -5.700 7.403 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.485 -7.787 2.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -1.815 -5.212 5.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.657 -6.840 1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.796 -5.590 2.624 1.00 0.00 H new ATOM 419 N HIS A 32 -9.198 -9.599 7.103 1.00 0.00 N ATOM 420 CA HIS A 32 -10.574 -9.872 7.511 1.00 0.00 C ATOM 421 C HIS A 32 -11.366 -8.599 7.158 1.00 0.00 C ATOM 422 O HIS A 32 -10.818 -7.503 7.264 1.00 0.00 O ATOM 423 CB HIS A 32 -10.662 -10.202 9.014 1.00 0.00 C ATOM 424 CG HIS A 32 -9.996 -11.498 9.436 1.00 0.00 C ATOM 425 ND1 HIS A 32 -8.846 -11.647 10.247 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.508 -12.726 9.141 1.00 0.00 C ATOM 427 CE1 HIS A 32 -8.740 -12.991 10.413 1.00 0.00 C ATOM 428 NE2 HIS A 32 -9.706 -13.654 9.762 1.00 0.00 N ATOM 0 H HIS A 32 -8.587 -9.330 7.874 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.979 -10.746 7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.213 -9.383 9.575 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.713 -10.244 9.298 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.378 -12.931 8.535 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -7.969 -13.469 11.000 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -9.825 -14.667 9.733 1.00 0.00 H new ATOM 436 N SER A 33 -12.647 -8.715 6.807 1.00 0.00 N ATOM 437 CA SER A 33 -13.554 -7.625 6.415 1.00 0.00 C ATOM 438 C SER A 33 -13.780 -6.546 7.491 1.00 0.00 C ATOM 439 O SER A 33 -14.433 -5.536 7.220 1.00 0.00 O ATOM 440 CB SER A 33 -14.853 -8.270 5.914 1.00 0.00 C ATOM 441 OG SER A 33 -15.681 -7.418 5.141 1.00 0.00 O ATOM 0 H SER A 33 -13.111 -9.623 6.786 1.00 0.00 H new ATOM 0 HA SER A 33 -13.083 -7.050 5.618 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.600 -9.146 5.317 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.422 -8.623 6.774 1.00 0.00 H new ATOM 0 HG SER A 33 -15.595 -6.497 5.464 1.00 0.00 H new ATOM 447 N GLU A 34 -13.303 -6.772 8.714 1.00 0.00 N ATOM 448 CA GLU A 34 -13.387 -5.860 9.849 1.00 0.00 C ATOM 449 C GLU A 34 -11.981 -5.319 10.156 1.00 0.00 C ATOM 450 O GLU A 34 -11.813 -4.151 10.501 1.00 0.00 O ATOM 451 CB GLU A 34 -14.073 -6.609 11.016 1.00 0.00 C ATOM 452 CG GLU A 34 -13.359 -6.642 12.381 1.00 0.00 C ATOM 453 CD GLU A 34 -13.244 -5.295 13.103 1.00 0.00 C ATOM 454 OE1 GLU A 34 -14.029 -4.364 12.815 1.00 0.00 O ATOM 455 OE2 GLU A 34 -12.373 -5.128 13.983 1.00 0.00 O ATOM 0 H GLU A 34 -12.824 -7.641 8.950 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.000 -4.982 9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.056 -6.163 11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.235 -7.640 10.700 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.889 -7.338 13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.356 -7.043 12.236 1.00 0.00 H new ATOM 462 N CYS A 35 -10.960 -6.166 10.003 1.00 0.00 N ATOM 463 CA CYS A 35 -9.560 -5.869 10.263 1.00 0.00 C ATOM 464 C CYS A 35 -8.819 -5.186 9.107 1.00 0.00 C ATOM 465 O CYS A 35 -7.598 -5.313 9.031 1.00 0.00 O ATOM 466 CB CYS A 35 -8.878 -7.170 10.686 1.00 0.00 C ATOM 467 SG CYS A 35 -9.679 -7.914 12.125 1.00 0.00 S ATOM 0 H CYS A 35 -11.100 -7.123 9.678 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.520 -5.127 11.061 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.896 -7.876 9.855 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.831 -6.973 10.915 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.065 -9.015 12.442 1.00 0.00 H new ATOM 472 N PHE A 36 -9.542 -4.596 8.156 1.00 0.00 N ATOM 473 CA PHE A 36 -8.991 -3.868 7.022 1.00 0.00 C ATOM 474 C PHE A 36 -9.427 -2.427 7.300 1.00 0.00 C ATOM 475 O PHE A 36 -10.600 -2.090 7.110 1.00 0.00 O ATOM 476 CB PHE A 36 -9.513 -4.492 5.724 1.00 0.00 C ATOM 477 CG PHE A 36 -8.793 -4.038 4.475 1.00 0.00 C ATOM 478 CD1 PHE A 36 -7.426 -4.343 4.313 1.00 0.00 C ATOM 479 CD2 PHE A 36 -9.471 -3.317 3.473 1.00 0.00 C ATOM 480 CE1 PHE A 36 -6.751 -3.969 3.141 1.00 0.00 C ATOM 481 CE2 PHE A 36 -8.803 -2.978 2.284 1.00 0.00 C ATOM 482 CZ PHE A 36 -7.450 -3.314 2.114 1.00 0.00 C ATOM 0 H PHE A 36 -10.562 -4.614 8.157 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.908 -3.904 6.900 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.434 -5.576 5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.572 -4.256 5.623 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.896 -4.867 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.501 -3.026 3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.699 -4.184 3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.331 -2.458 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.946 -3.068 1.191 1.00 0.00 H new ATOM 492 N ASN A 37 -8.517 -1.593 7.810 1.00 0.00 N ATOM 493 CA ASN A 37 -8.809 -0.215 8.194 1.00 0.00 C ATOM 494 C ASN A 37 -7.653 0.790 8.042 1.00 0.00 C ATOM 495 O ASN A 37 -6.531 0.409 7.718 1.00 0.00 O ATOM 496 CB ASN A 37 -9.263 -0.275 9.662 1.00 0.00 C ATOM 497 CG ASN A 37 -8.238 -0.882 10.617 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.122 -0.386 10.757 1.00 0.00 O ATOM 499 ND2 ASN A 37 -8.606 -1.934 11.328 1.00 0.00 N ATOM 0 H ASN A 37 -7.546 -1.862 7.969 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.566 0.166 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.500 0.735 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.184 -0.855 9.721 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.961 -2.344 12.003 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.535 -2.335 11.202 1.00 0.00 H new ATOM 506 N CYS A 38 -7.943 2.086 8.289 1.00 0.00 N ATOM 507 CA CYS A 38 -6.991 3.204 8.211 1.00 0.00 C ATOM 508 C CYS A 38 -5.866 2.992 9.210 1.00 0.00 C ATOM 509 O CYS A 38 -6.137 3.071 10.407 1.00 0.00 O ATOM 510 CB CYS A 38 -7.627 4.592 8.552 1.00 0.00 C ATOM 511 SG CYS A 38 -6.472 5.920 8.141 1.00 0.00 S ATOM 0 H CYS A 38 -8.880 2.388 8.557 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.642 3.218 7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.556 4.722 7.996 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.881 4.635 9.611 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.011 7.068 8.427 1.00 0.00 H new ATOM 516 N GLY A 39 -4.619 2.927 8.747 1.00 0.00 N ATOM 517 CA GLY A 39 -3.476 2.731 9.639 1.00 0.00 C ATOM 518 C GLY A 39 -3.354 3.824 10.709 1.00 0.00 C ATOM 519 O GLY A 39 -2.862 3.567 11.802 1.00 0.00 O ATOM 0 H GLY A 39 -4.374 3.007 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.566 1.761 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.561 2.706 9.047 1.00 0.00 H new ATOM 523 N LYS A 40 -3.879 5.027 10.438 1.00 0.00 N ATOM 524 CA LYS A 40 -3.840 6.187 11.335 1.00 0.00 C ATOM 525 C LYS A 40 -4.970 6.306 12.349 1.00 0.00 C ATOM 526 O LYS A 40 -4.872 7.120 13.259 1.00 0.00 O ATOM 527 CB LYS A 40 -3.814 7.472 10.485 1.00 0.00 C ATOM 528 CG LYS A 40 -2.380 7.830 10.106 1.00 0.00 C ATOM 529 CD LYS A 40 -2.226 9.279 9.602 1.00 0.00 C ATOM 530 CE LYS A 40 -0.748 9.699 9.500 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.569 11.169 9.404 1.00 0.00 N ATOM 0 H LYS A 40 -4.358 5.224 9.559 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.939 6.042 11.931 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.411 7.332 9.584 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.266 8.293 11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.735 7.684 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.034 7.145 9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.699 9.375 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.750 9.956 10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.210 9.329 10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.301 9.226 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.445 11.392 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.057 11.524 8.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.969 11.623 10.250 1.00 0.00 H new ATOM 545 N CYS A 41 -6.098 5.624 12.152 1.00 0.00 N ATOM 546 CA CYS A 41 -7.223 5.717 13.075 1.00 0.00 C ATOM 547 C CYS A 41 -8.119 4.489 13.285 1.00 0.00 C ATOM 548 O CYS A 41 -9.055 4.573 14.081 1.00 0.00 O ATOM 549 CB CYS A 41 -8.119 6.822 12.555 1.00 0.00 C ATOM 550 SG CYS A 41 -9.394 6.268 11.414 1.00 0.00 S ATOM 0 H CYS A 41 -6.255 5.001 11.360 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.755 5.873 14.047 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.596 7.316 13.402 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.502 7.569 12.056 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.105 7.286 11.031 1.00 0.00 H new ATOM 555 N SER A 42 -7.972 3.438 12.477 1.00 0.00 N ATOM 556 CA SER A 42 -8.753 2.200 12.596 1.00 0.00 C ATOM 557 C SER A 42 -10.142 2.196 11.932 1.00 0.00 C ATOM 558 O SER A 42 -10.844 1.188 12.017 1.00 0.00 O ATOM 559 CB SER A 42 -8.805 1.685 14.043 1.00 0.00 C ATOM 560 OG SER A 42 -7.541 1.809 14.672 1.00 0.00 O ATOM 0 H SER A 42 -7.299 3.420 11.711 1.00 0.00 H new ATOM 0 HA SER A 42 -8.186 1.491 11.993 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.552 2.245 14.606 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.118 0.641 14.050 1.00 0.00 H new ATOM 0 HG SER A 42 -7.599 1.477 15.592 1.00 0.00 H new ATOM 566 N VAL A 43 -10.563 3.259 11.230 1.00 0.00 N ATOM 567 CA VAL A 43 -11.868 3.248 10.550 1.00 0.00 C ATOM 568 C VAL A 43 -11.767 2.258 9.387 1.00 0.00 C ATOM 569 O VAL A 43 -10.784 2.323 8.636 1.00 0.00 O ATOM 570 CB VAL A 43 -12.319 4.641 10.050 1.00 0.00 C ATOM 571 CG1 VAL A 43 -11.486 5.214 8.884 1.00 0.00 C ATOM 572 CG2 VAL A 43 -13.775 4.597 9.570 1.00 0.00 C ATOM 0 H VAL A 43 -10.031 4.122 11.119 1.00 0.00 H new ATOM 0 HA VAL A 43 -12.632 2.947 11.267 1.00 0.00 H new ATOM 0 HB VAL A 43 -12.182 5.289 10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.877 6.192 8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -10.446 5.315 9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.545 4.541 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.074 5.586 9.222 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.867 3.882 8.753 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.421 4.292 10.394 1.00 0.00 H new ATOM 582 N SER A 44 -12.763 1.387 9.230 1.00 0.00 N ATOM 583 CA SER A 44 -12.805 0.405 8.160 1.00 0.00 C ATOM 584 C SER A 44 -12.723 1.110 6.804 1.00 0.00 C ATOM 585 O SER A 44 -13.241 2.222 6.615 1.00 0.00 O ATOM 586 CB SER A 44 -14.083 -0.437 8.274 1.00 0.00 C ATOM 587 OG SER A 44 -14.137 -1.393 7.234 1.00 0.00 O ATOM 0 H SER A 44 -13.570 1.347 9.852 1.00 0.00 H new ATOM 0 HA SER A 44 -11.950 -0.265 8.246 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.110 -0.940 9.241 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.958 0.211 8.227 1.00 0.00 H new ATOM 0 HG SER A 44 -14.956 -1.924 7.320 1.00 0.00 H new ATOM 593 N LEU A 45 -12.045 0.446 5.869 1.00 0.00 N ATOM 594 CA LEU A 45 -11.847 0.901 4.496 1.00 0.00 C ATOM 595 C LEU A 45 -12.606 -0.006 3.524 1.00 0.00 C ATOM 596 O LEU A 45 -12.677 0.292 2.329 1.00 0.00 O ATOM 597 CB LEU A 45 -10.344 1.018 4.174 1.00 0.00 C ATOM 598 CG LEU A 45 -9.609 2.068 5.036 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.121 2.194 4.700 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.232 3.459 4.901 1.00 0.00 C ATOM 0 H LEU A 45 -11.604 -0.455 6.054 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.262 1.902 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.873 0.046 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.225 1.276 3.122 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.714 1.701 6.057 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.666 2.948 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.629 1.235 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.007 2.489 3.657 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -9.684 4.165 5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.184 3.780 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.273 3.424 5.222 1.00 0.00 H new ATOM 612 N VAL A 46 -13.192 -1.103 4.019 1.00 0.00 N ATOM 613 CA VAL A 46 -13.962 -2.027 3.206 1.00 0.00 C ATOM 614 C VAL A 46 -15.165 -1.247 2.688 1.00 0.00 C ATOM 615 O VAL A 46 -15.951 -0.713 3.479 1.00 0.00 O ATOM 616 CB VAL A 46 -14.384 -3.262 4.031 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.270 -4.217 3.218 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.153 -4.031 4.512 1.00 0.00 C ATOM 0 H VAL A 46 -13.140 -1.368 5.003 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.374 -2.412 2.373 1.00 0.00 H new ATOM 0 HB VAL A 46 -14.954 -2.892 4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -15.545 -5.072 3.835 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.172 -3.694 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -14.723 -4.563 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.469 -4.898 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -12.572 -4.362 3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.539 -3.382 5.136 1.00 0.00 H new ATOM 628 N GLY A 47 -15.288 -1.150 1.368 1.00 0.00 N ATOM 629 CA GLY A 47 -16.390 -0.460 0.729 1.00 0.00 C ATOM 630 C GLY A 47 -16.235 1.045 0.580 1.00 0.00 C ATOM 631 O GLY A 47 -17.227 1.656 0.185 1.00 0.00 O ATOM 0 H GLY A 47 -14.618 -1.553 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.537 -0.890 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.297 -0.657 1.300 1.00 0.00 H new ATOM 635 N LYS A 48 -15.084 1.666 0.875 1.00 0.00 N ATOM 636 CA LYS A 48 -14.925 3.120 0.712 1.00 0.00 C ATOM 637 C LYS A 48 -13.607 3.483 0.044 1.00 0.00 C ATOM 638 O LYS A 48 -12.727 2.631 -0.102 1.00 0.00 O ATOM 639 CB LYS A 48 -15.094 3.866 2.049 1.00 0.00 C ATOM 640 CG LYS A 48 -14.019 3.571 3.105 1.00 0.00 C ATOM 641 CD LYS A 48 -13.849 4.738 4.094 1.00 0.00 C ATOM 642 CE LYS A 48 -15.151 5.251 4.724 1.00 0.00 C ATOM 643 NZ LYS A 48 -15.843 4.225 5.525 1.00 0.00 N ATOM 0 H LYS A 48 -14.254 1.189 1.226 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.724 3.447 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.100 4.938 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -16.069 3.614 2.466 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -14.287 2.667 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.068 3.374 2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.177 4.423 4.892 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.363 5.565 3.576 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.929 6.110 5.357 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.818 5.600 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.715 4.627 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.082 3.414 4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.221 3.909 6.296 1.00 0.00 H new ATOM 657 N GLY A 49 -13.467 4.751 -0.342 1.00 0.00 N ATOM 658 CA GLY A 49 -12.270 5.266 -0.971 1.00 0.00 C ATOM 659 C GLY A 49 -11.122 5.199 0.028 1.00 0.00 C ATOM 660 O GLY A 49 -11.224 5.713 1.150 1.00 0.00 O ATOM 0 H GLY A 49 -14.198 5.452 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.031 4.683 -1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.427 6.294 -1.296 1.00 0.00 H new ATOM 664 N PHE A 50 -10.051 4.516 -0.362 1.00 0.00 N ATOM 665 CA PHE A 50 -8.841 4.349 0.425 1.00 0.00 C ATOM 666 C PHE A 50 -7.707 5.021 -0.342 1.00 0.00 C ATOM 667 O PHE A 50 -7.881 5.420 -1.493 1.00 0.00 O ATOM 668 CB PHE A 50 -8.569 2.871 0.723 1.00 0.00 C ATOM 669 CG PHE A 50 -8.056 2.042 -0.439 1.00 0.00 C ATOM 670 CD1 PHE A 50 -8.954 1.424 -1.330 1.00 0.00 C ATOM 671 CD2 PHE A 50 -6.669 1.843 -0.589 1.00 0.00 C ATOM 672 CE1 PHE A 50 -8.464 0.607 -2.366 1.00 0.00 C ATOM 673 CE2 PHE A 50 -6.185 1.018 -1.616 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.081 0.403 -2.509 1.00 0.00 C ATOM 0 H PHE A 50 -10.003 4.048 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 50 -8.943 4.820 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.843 2.812 1.534 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.491 2.419 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -10.017 1.577 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.978 2.326 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.152 0.136 -3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.123 0.855 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.707 -0.225 -3.304 1.00 0.00 H new ATOM 684 N LEU A 51 -6.560 5.208 0.299 1.00 0.00 N ATOM 685 CA LEU A 51 -5.392 5.843 -0.293 1.00 0.00 C ATOM 686 C LEU A 51 -4.160 5.087 0.171 1.00 0.00 C ATOM 687 O LEU A 51 -4.228 4.384 1.183 1.00 0.00 O ATOM 688 CB LEU A 51 -5.299 7.318 0.146 1.00 0.00 C ATOM 689 CG LEU A 51 -6.349 8.235 -0.511 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.557 8.376 0.415 1.00 0.00 C ATOM 691 CD2 LEU A 51 -5.809 9.647 -0.749 1.00 0.00 C ATOM 0 H LEU A 51 -6.414 4.916 1.265 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.468 5.819 -1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.411 7.372 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.304 7.695 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.614 7.778 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.299 9.025 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.995 7.394 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.240 8.810 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.582 10.259 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.518 10.091 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.941 9.599 -1.407 1.00 0.00 H new ATOM 703 N THR A 52 -3.057 5.233 -0.559 1.00 0.00 N ATOM 704 CA THR A 52 -1.793 4.584 -0.227 1.00 0.00 C ATOM 705 C THR A 52 -0.663 5.604 -0.299 1.00 0.00 C ATOM 706 O THR A 52 -0.363 6.145 -1.365 1.00 0.00 O ATOM 707 CB THR A 52 -1.525 3.297 -1.032 1.00 0.00 C ATOM 708 OG1 THR A 52 -1.402 3.485 -2.430 1.00 0.00 O ATOM 709 CG2 THR A 52 -2.587 2.232 -0.777 1.00 0.00 C ATOM 0 H THR A 52 -3.015 5.807 -1.401 1.00 0.00 H new ATOM 0 HA THR A 52 -1.856 4.224 0.800 1.00 0.00 H new ATOM 0 HB THR A 52 -0.555 2.963 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.023 4.371 -2.609 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.359 1.343 -1.364 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.597 1.975 0.282 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.565 2.617 -1.066 1.00 0.00 H new ATOM 717 N GLN A 53 -0.085 5.928 0.852 1.00 0.00 N ATOM 718 CA GLN A 53 1.004 6.876 1.015 1.00 0.00 C ATOM 719 C GLN A 53 1.926 6.327 2.097 1.00 0.00 C ATOM 720 O GLN A 53 1.457 5.572 2.946 1.00 0.00 O ATOM 721 CB GLN A 53 0.412 8.227 1.419 1.00 0.00 C ATOM 722 CG GLN A 53 1.418 9.369 1.289 1.00 0.00 C ATOM 723 CD GLN A 53 0.847 10.614 1.937 1.00 0.00 C ATOM 724 OE1 GLN A 53 0.166 11.403 1.291 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.073 10.779 3.231 1.00 0.00 N ATOM 0 H GLN A 53 -0.379 5.516 1.737 1.00 0.00 H new ATOM 0 HA GLN A 53 1.571 7.014 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.457 8.440 0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.060 8.172 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.359 9.096 1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.636 9.559 0.238 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.644 10.104 3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.676 11.581 3.720 1.00 0.00 H new ATOM 734 N ASN A 54 3.206 6.713 2.118 1.00 0.00 N ATOM 735 CA ASN A 54 4.195 6.251 3.101 1.00 0.00 C ATOM 736 C ASN A 54 4.227 4.724 3.168 1.00 0.00 C ATOM 737 O ASN A 54 4.510 4.141 4.215 1.00 0.00 O ATOM 738 CB ASN A 54 3.925 6.880 4.481 1.00 0.00 C ATOM 739 CG ASN A 54 4.084 8.387 4.453 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.109 9.124 4.597 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.296 8.860 4.226 1.00 0.00 N ATOM 0 H ASN A 54 3.593 7.369 1.439 1.00 0.00 H new ATOM 0 HA ASN A 54 5.183 6.580 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.915 6.627 4.805 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.611 6.456 5.214 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.447 9.867 4.165 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.081 8.218 4.112 1.00 0.00 H new ATOM 748 N LYS A 55 3.935 4.069 2.039 1.00 0.00 N ATOM 749 CA LYS A 55 3.876 2.615 1.904 1.00 0.00 C ATOM 750 C LYS A 55 2.857 2.018 2.890 1.00 0.00 C ATOM 751 O LYS A 55 2.994 0.871 3.315 1.00 0.00 O ATOM 752 CB LYS A 55 5.285 1.988 1.970 1.00 0.00 C ATOM 753 CG LYS A 55 6.238 2.551 0.896 1.00 0.00 C ATOM 754 CD LYS A 55 7.142 3.699 1.387 1.00 0.00 C ATOM 755 CE LYS A 55 8.043 4.253 0.273 1.00 0.00 C ATOM 756 NZ LYS A 55 9.394 3.648 0.260 1.00 0.00 N ATOM 0 H LYS A 55 3.727 4.555 1.167 1.00 0.00 H new ATOM 0 HA LYS A 55 3.504 2.358 0.912 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.711 2.166 2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.204 0.908 1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.867 1.742 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.646 2.906 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.521 4.503 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.763 3.343 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.565 4.080 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.137 5.332 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.953 4.063 -0.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.867 3.834 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.313 2.621 0.116 1.00 0.00 H new ATOM 770 N GLU A 56 1.836 2.777 3.277 1.00 0.00 N ATOM 771 CA GLU A 56 0.753 2.406 4.194 1.00 0.00 C ATOM 772 C GLU A 56 -0.614 2.645 3.528 1.00 0.00 C ATOM 773 O GLU A 56 -0.678 3.153 2.410 1.00 0.00 O ATOM 774 CB GLU A 56 0.900 3.155 5.530 1.00 0.00 C ATOM 775 CG GLU A 56 2.104 2.656 6.335 1.00 0.00 C ATOM 776 CD GLU A 56 2.082 3.108 7.799 1.00 0.00 C ATOM 777 OE1 GLU A 56 2.039 4.323 8.103 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.051 2.205 8.673 1.00 0.00 O ATOM 0 H GLU A 56 1.733 3.733 2.937 1.00 0.00 H new ATOM 0 HA GLU A 56 0.817 1.342 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.009 4.222 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.008 3.028 6.119 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.131 1.567 6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.020 3.014 5.865 1.00 0.00 H new ATOM 785 N ILE A 57 -1.701 2.265 4.212 1.00 0.00 N ATOM 786 CA ILE A 57 -3.105 2.359 3.792 1.00 0.00 C ATOM 787 C ILE A 57 -3.846 3.382 4.662 1.00 0.00 C ATOM 788 O ILE A 57 -3.861 3.284 5.897 1.00 0.00 O ATOM 789 CB ILE A 57 -3.766 0.954 3.838 1.00 0.00 C ATOM 790 CG1 ILE A 57 -3.478 0.219 5.176 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.274 0.138 2.632 1.00 0.00 C ATOM 792 CD1 ILE A 57 -4.203 -1.110 5.378 1.00 0.00 C ATOM 0 H ILE A 57 -1.616 1.854 5.141 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.160 2.711 2.762 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.848 1.070 3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.405 0.039 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.744 0.884 5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.730 -0.852 2.652 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.552 0.648 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.190 0.038 2.678 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.926 -1.532 6.344 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.280 -0.945 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.921 -1.803 4.585 1.00 0.00 H new ATOM 804 N PHE A 58 -4.509 4.366 4.045 1.00 0.00 N ATOM 805 CA PHE A 58 -5.221 5.410 4.776 1.00 0.00 C ATOM 806 C PHE A 58 -6.625 5.708 4.255 1.00 0.00 C ATOM 807 O PHE A 58 -7.019 5.309 3.165 1.00 0.00 O ATOM 808 CB PHE A 58 -4.366 6.685 4.786 1.00 0.00 C ATOM 809 CG PHE A 58 -2.961 6.515 5.337 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.749 5.975 6.623 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.856 6.917 4.565 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.445 5.819 7.121 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.559 6.817 5.091 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.354 6.259 6.360 1.00 0.00 C ATOM 0 H PHE A 58 -4.565 4.458 3.031 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.373 5.034 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.296 7.065 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.881 7.444 5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.594 5.680 7.228 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.006 7.303 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.284 5.362 8.086 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.284 7.171 4.516 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.648 6.168 6.753 1.00 0.00 H new ATOM 824 N CYS A 59 -7.409 6.394 5.101 1.00 0.00 N ATOM 825 CA CYS A 59 -8.784 6.790 4.763 1.00 0.00 C ATOM 826 C CYS A 59 -8.667 8.179 4.098 1.00 0.00 C ATOM 827 O CYS A 59 -7.712 8.892 4.432 1.00 0.00 O ATOM 828 CB CYS A 59 -9.712 6.962 6.008 1.00 0.00 C ATOM 829 SG CYS A 59 -9.893 8.604 6.714 1.00 0.00 S ATOM 0 H CYS A 59 -7.111 6.688 6.031 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.222 6.013 4.137 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.705 6.606 5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.342 6.302 6.792 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.789 8.945 7.309 1.00 0.00 H new ATOM 834 N GLN A 60 -9.682 8.633 3.348 1.00 0.00 N ATOM 835 CA GLN A 60 -9.714 9.948 2.685 1.00 0.00 C ATOM 836 C GLN A 60 -9.361 11.074 3.667 1.00 0.00 C ATOM 837 O GLN A 60 -8.371 11.761 3.464 1.00 0.00 O ATOM 838 CB GLN A 60 -11.097 10.203 2.066 1.00 0.00 C ATOM 839 CG GLN A 60 -11.450 9.271 0.894 1.00 0.00 C ATOM 840 CD GLN A 60 -12.965 9.104 0.745 1.00 0.00 C ATOM 841 OE1 GLN A 60 -13.653 8.716 1.692 1.00 0.00 O ATOM 842 NE2 GLN A 60 -13.521 9.378 -0.419 1.00 0.00 N ATOM 0 H GLN A 60 -10.525 8.083 3.181 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.966 9.940 1.892 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.855 10.094 2.842 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.142 11.236 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.035 9.674 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.989 8.296 1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.944 9.698 -1.197 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.528 9.270 -0.541 1.00 0.00 H new ATOM 851 N LYS A 61 -10.089 11.201 4.789 1.00 0.00 N ATOM 852 CA LYS A 61 -9.862 12.230 5.820 1.00 0.00 C ATOM 853 C LYS A 61 -8.396 12.322 6.273 1.00 0.00 C ATOM 854 O LYS A 61 -7.960 13.376 6.722 1.00 0.00 O ATOM 855 CB LYS A 61 -10.760 12.009 7.050 1.00 0.00 C ATOM 856 CG LYS A 61 -12.244 11.765 6.755 1.00 0.00 C ATOM 857 CD LYS A 61 -13.038 11.588 8.059 1.00 0.00 C ATOM 858 CE LYS A 61 -14.558 11.635 7.858 1.00 0.00 C ATOM 859 NZ LYS A 61 -15.109 10.512 7.064 1.00 0.00 N ATOM 0 H LYS A 61 -10.867 10.580 5.010 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.123 13.175 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.375 11.156 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.676 12.880 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.649 12.603 6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.354 10.877 6.133 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.768 10.635 8.513 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.748 12.369 8.761 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.041 11.643 8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.818 12.572 7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -16.140 10.621 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.679 10.513 6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.895 9.612 7.540 1.00 0.00 H new ATOM 873 N CYS A 62 -7.678 11.191 6.300 1.00 0.00 N ATOM 874 CA CYS A 62 -6.265 11.145 6.667 1.00 0.00 C ATOM 875 C CYS A 62 -5.413 11.570 5.462 1.00 0.00 C ATOM 876 O CYS A 62 -4.657 12.528 5.574 1.00 0.00 O ATOM 877 CB CYS A 62 -5.826 9.806 7.313 1.00 0.00 C ATOM 878 SG CYS A 62 -5.893 9.740 9.099 1.00 0.00 S ATOM 0 H CYS A 62 -8.069 10.278 6.065 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.097 11.864 7.469 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.456 9.010 6.916 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.804 9.591 6.999 1.00 0.00 H new ATOM 0 HG CYS A 62 -6.707 8.796 9.468 1.00 0.00 H new ATOM 883 N GLY A 63 -5.566 10.929 4.302 1.00 0.00 N ATOM 884 CA GLY A 63 -4.790 11.250 3.105 1.00 0.00 C ATOM 885 C GLY A 63 -5.321 12.410 2.265 1.00 0.00 C ATOM 886 O GLY A 63 -5.062 12.441 1.065 1.00 0.00 O ATOM 0 H GLY A 63 -6.234 10.170 4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.769 11.482 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.742 10.361 2.476 1.00 0.00 H new ATOM 890 N SER A 64 -6.044 13.367 2.847 1.00 0.00 N ATOM 891 CA SER A 64 -6.621 14.524 2.159 1.00 0.00 C ATOM 892 C SER A 64 -5.564 15.586 1.786 1.00 0.00 C ATOM 893 O SER A 64 -5.870 16.783 1.767 1.00 0.00 O ATOM 894 CB SER A 64 -7.770 15.080 3.032 1.00 0.00 C ATOM 895 OG SER A 64 -8.967 15.204 2.281 1.00 0.00 O ATOM 0 H SER A 64 -6.252 13.358 3.846 1.00 0.00 H new ATOM 0 HA SER A 64 -7.028 14.212 1.197 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.937 14.419 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.487 16.053 3.435 1.00 0.00 H new ATOM 0 HG SER A 64 -9.679 15.556 2.856 1.00 0.00 H new ATOM 901 N GLY A 65 -4.312 15.197 1.540 1.00 0.00 N ATOM 902 CA GLY A 65 -3.224 16.089 1.189 1.00 0.00 C ATOM 903 C GLY A 65 -2.054 15.328 0.581 1.00 0.00 C ATOM 904 O GLY A 65 -2.154 14.141 0.247 1.00 0.00 O ATOM 0 H GLY A 65 -4.026 14.219 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.580 16.838 0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.889 16.624 2.078 1.00 0.00 H new ATOM 908 N MET A 66 -0.966 16.062 0.379 1.00 0.00 N ATOM 909 CA MET A 66 0.297 15.627 -0.195 1.00 0.00 C ATOM 910 C MET A 66 1.041 14.714 0.785 1.00 0.00 C ATOM 911 O MET A 66 0.664 14.614 1.957 1.00 0.00 O ATOM 912 CB MET A 66 1.132 16.876 -0.557 1.00 0.00 C ATOM 913 CG MET A 66 0.360 17.924 -1.383 1.00 0.00 C ATOM 914 SD MET A 66 -0.785 18.985 -0.441 1.00 0.00 S ATOM 915 CE MET A 66 -1.771 19.691 -1.785 1.00 0.00 C ATOM 0 H MET A 66 -0.945 17.050 0.632 1.00 0.00 H new ATOM 0 HA MET A 66 0.119 15.048 -1.101 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.488 17.342 0.362 1.00 0.00 H new ATOM 0 HB3 MET A 66 2.013 16.563 -1.117 1.00 0.00 H new ATOM 0 HG2 MET A 66 1.082 18.562 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.207 17.405 -2.156 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.520 20.366 -1.371 1.00 0.00 H new ATOM 0 HE2 MET A 66 -1.120 20.243 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 66 -2.267 18.889 -2.332 1.00 0.00 H new ATOM 925 N ASP A 67 2.097 14.037 0.322 1.00 0.00 N ATOM 926 CA ASP A 67 2.906 13.139 1.154 1.00 0.00 C ATOM 927 C ASP A 67 3.926 13.931 1.958 1.00 0.00 C ATOM 928 O ASP A 67 5.137 13.747 1.844 1.00 0.00 O ATOM 929 CB ASP A 67 3.504 11.952 0.375 1.00 0.00 C ATOM 930 CG ASP A 67 4.684 12.251 -0.548 1.00 0.00 C ATOM 931 OD1 ASP A 67 4.668 13.284 -1.261 1.00 0.00 O ATOM 932 OD2 ASP A 67 5.561 11.363 -0.673 1.00 0.00 O ATOM 0 H ASP A 67 2.416 14.097 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 67 2.238 12.662 1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.821 11.199 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.710 11.506 -0.224 1.00 0.00 H new ATOM 937 N THR A 68 3.402 14.825 2.790 1.00 0.00 N ATOM 938 CA THR A 68 4.147 15.708 3.653 1.00 0.00 C ATOM 939 C THR A 68 4.924 14.897 4.691 1.00 0.00 C ATOM 940 O THR A 68 4.376 14.462 5.707 1.00 0.00 O ATOM 941 CB THR A 68 3.192 16.748 4.255 1.00 0.00 C ATOM 942 OG1 THR A 68 2.163 16.156 5.023 1.00 0.00 O ATOM 943 CG2 THR A 68 2.515 17.606 3.189 1.00 0.00 C ATOM 0 H THR A 68 2.394 14.952 2.878 1.00 0.00 H new ATOM 0 HA THR A 68 4.898 16.262 3.090 1.00 0.00 H new ATOM 0 HB THR A 68 3.828 17.367 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.527 15.400 5.530 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.850 18.325 3.668 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.273 18.139 2.616 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.937 16.967 2.521 1.00 0.00 H new ATOM 951 N ASP A 69 6.209 14.662 4.439 1.00 0.00 N ATOM 952 CA ASP A 69 7.066 13.919 5.344 1.00 0.00 C ATOM 953 C ASP A 69 8.504 14.362 5.137 1.00 0.00 C ATOM 954 O ASP A 69 8.862 14.816 4.048 1.00 0.00 O ATOM 955 CB ASP A 69 6.954 12.409 5.075 1.00 0.00 C ATOM 956 CG ASP A 69 7.765 11.633 6.107 1.00 0.00 C ATOM 957 OD1 ASP A 69 7.664 11.970 7.307 1.00 0.00 O ATOM 958 OD2 ASP A 69 8.513 10.694 5.753 1.00 0.00 O ATOM 0 H ASP A 69 6.683 14.985 3.596 1.00 0.00 H new ATOM 0 HA ASP A 69 6.755 14.115 6.370 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.909 12.101 5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.315 12.182 4.072 1.00 0.00 H new ATOM 963 N ILE A 70 9.326 14.293 6.183 1.00 0.00 N ATOM 964 CA ILE A 70 10.730 14.655 6.096 1.00 0.00 C ATOM 965 C ILE A 70 11.377 13.373 5.573 1.00 0.00 C ATOM 966 O ILE A 70 11.766 12.500 6.356 1.00 0.00 O ATOM 967 CB ILE A 70 11.261 15.169 7.457 1.00 0.00 C ATOM 968 CG1 ILE A 70 10.570 16.485 7.887 1.00 0.00 C ATOM 969 CG2 ILE A 70 12.785 15.369 7.437 1.00 0.00 C ATOM 970 CD1 ILE A 70 10.789 17.680 6.943 1.00 0.00 C ATOM 0 H ILE A 70 9.033 13.985 7.110 1.00 0.00 H new ATOM 0 HA ILE A 70 10.952 15.493 5.435 1.00 0.00 H new ATOM 0 HB ILE A 70 11.021 14.397 8.188 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.499 16.303 7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 70 10.928 16.757 8.880 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.117 15.730 8.410 1.00 0.00 H new ATOM 0 HG22 ILE A 70 13.274 14.420 7.216 1.00 0.00 H new ATOM 0 HG23 ILE A 70 13.046 16.099 6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.264 18.552 7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.855 17.898 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.403 17.437 5.953 1.00 0.00 H new ATOM 982 N SER A 71 11.431 13.224 4.248 1.00 0.00 N ATOM 983 CA SER A 71 12.004 12.047 3.612 1.00 0.00 C ATOM 984 C SER A 71 13.468 11.871 4.031 1.00 0.00 C ATOM 985 O SER A 71 14.137 12.833 4.419 1.00 0.00 O ATOM 986 CB SER A 71 11.890 12.153 2.086 1.00 0.00 C ATOM 987 OG SER A 71 10.613 12.615 1.670 1.00 0.00 O ATOM 0 H SER A 71 11.077 13.919 3.590 1.00 0.00 H new ATOM 0 HA SER A 71 11.445 11.170 3.939 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.658 12.831 1.713 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.083 11.177 1.641 1.00 0.00 H new ATOM 0 HG SER A 71 10.587 12.668 0.692 1.00 0.00 H new ATOM 993 N GLY A 72 13.972 10.645 3.967 1.00 0.00 N ATOM 994 CA GLY A 72 15.344 10.295 4.309 1.00 0.00 C ATOM 995 C GLY A 72 15.989 9.575 3.130 1.00 0.00 C ATOM 996 O GLY A 72 15.351 9.416 2.082 1.00 0.00 O ATOM 0 H GLY A 72 13.419 9.842 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.910 11.193 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 72 15.359 9.657 5.192 1.00 0.00 H new ATOM 1000 N PRO A 73 17.237 9.108 3.271 1.00 0.00 N ATOM 1001 CA PRO A 73 17.933 8.422 2.195 1.00 0.00 C ATOM 1002 C PRO A 73 17.293 7.068 1.852 1.00 0.00 C ATOM 1003 O PRO A 73 17.580 6.520 0.789 1.00 0.00 O ATOM 1004 CB PRO A 73 19.392 8.322 2.646 1.00 0.00 C ATOM 1005 CG PRO A 73 19.307 8.348 4.170 1.00 0.00 C ATOM 1006 CD PRO A 73 18.082 9.222 4.449 1.00 0.00 C ATOM 0 HA PRO A 73 17.866 8.971 1.256 1.00 0.00 H new ATOM 0 HB2 PRO A 73 19.859 7.405 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.986 9.153 2.265 1.00 0.00 H new ATOM 0 HG2 PRO A 73 19.186 7.346 4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.209 8.769 4.614 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.556 8.884 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 73 18.372 10.258 4.623 1.00 0.00 H new ATOM 1014 N SER A 74 16.411 6.532 2.704 1.00 0.00 N ATOM 1015 CA SER A 74 15.722 5.270 2.495 1.00 0.00 C ATOM 1016 C SER A 74 14.820 5.377 1.258 1.00 0.00 C ATOM 1017 O SER A 74 13.710 5.915 1.335 1.00 0.00 O ATOM 1018 CB SER A 74 14.962 4.895 3.767 1.00 0.00 C ATOM 1019 OG SER A 74 15.824 4.991 4.887 1.00 0.00 O ATOM 0 H SER A 74 16.155 6.984 3.582 1.00 0.00 H new ATOM 0 HA SER A 74 16.431 4.466 2.298 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.105 5.556 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.572 3.881 3.683 1.00 0.00 H new ATOM 0 HG SER A 74 15.332 4.751 5.700 1.00 0.00 H new ATOM 1025 N SER A 75 15.294 4.875 0.121 1.00 0.00 N ATOM 1026 CA SER A 75 14.627 4.889 -1.174 1.00 0.00 C ATOM 1027 C SER A 75 14.501 3.459 -1.730 1.00 0.00 C ATOM 1028 O SER A 75 14.845 2.484 -1.047 1.00 0.00 O ATOM 1029 CB SER A 75 15.444 5.846 -2.058 1.00 0.00 C ATOM 1030 OG SER A 75 14.847 6.078 -3.319 1.00 0.00 O ATOM 0 H SER A 75 16.207 4.422 0.078 1.00 0.00 H new ATOM 0 HA SER A 75 13.599 5.247 -1.121 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.565 6.797 -1.539 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.442 5.433 -2.205 1.00 0.00 H new ATOM 0 HG SER A 75 15.406 6.693 -3.838 1.00 0.00 H new ATOM 1036 N GLY A 76 13.964 3.327 -2.940 1.00 0.00 N ATOM 1037 CA GLY A 76 13.752 2.084 -3.657 1.00 0.00 C ATOM 1038 C GLY A 76 13.731 2.372 -5.143 1.00 0.00 C ATOM 1039 O GLY A 76 13.454 3.530 -5.539 1.00 0.00 O ATOM 0 H GLY A 76 13.648 4.137 -3.474 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.545 1.374 -3.422 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.812 1.627 -3.348 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -7.695 -10.284 12.021 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -8.388 8.076 9.197 1.00 0.00 ZN