USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 397 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 32 THR OG1 : rot -149:sc= 0.829 USER MOD Set 1.2: A 37 LYS NZ :NH3+ -176:sc= 1.51 (180deg=0.389) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= -1.5 (180deg=-3.65!) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.26) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0622 (180deg=-0.331) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 12 SER OG : rot 62:sc= 0.764 USER MOD Single : A 16 SER OG : rot 77:sc= 1.27 USER MOD Single : A 20 GLN : amide:sc= 0.0383 K(o=0.038,f=-0.72) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0901 USER MOD Single : A 40 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0058) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0221 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 52:sc= 0.454 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= -0.0101 (180deg=-0.154) USER MOD Single : A 62 SER OG : rot -169:sc= 1.07 USER MOD Single : A 63 SER OG : rot -160:sc= -1.14 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 2.41 (180deg=2.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.793 -6.021 -6.733 1.00 0.00 N ATOM 2 CA GLY A 1 4.927 -4.900 -6.263 1.00 0.00 C ATOM 3 C GLY A 1 4.886 -3.753 -7.254 1.00 0.00 C ATOM 4 O GLY A 1 3.908 -3.594 -7.998 1.00 0.00 O ATOM 0 H1 GLY A 1 5.791 -6.782 -6.024 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.428 -6.387 -7.635 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.765 -5.676 -6.867 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.915 -5.270 -6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.295 -4.536 -5.304 1.00 0.00 H new ATOM 7 N SER A 2 5.947 -2.955 -7.275 1.00 0.00 N ATOM 8 CA SER A 2 6.044 -1.839 -8.197 1.00 0.00 C ATOM 9 C SER A 2 6.050 -2.348 -9.636 1.00 0.00 C ATOM 10 O SER A 2 6.616 -3.411 -9.923 1.00 0.00 O ATOM 11 CB SER A 2 7.321 -1.039 -7.923 1.00 0.00 C ATOM 12 OG SER A 2 7.382 -0.615 -6.569 1.00 0.00 O ATOM 0 H SER A 2 6.753 -3.064 -6.660 1.00 0.00 H new ATOM 0 HA SER A 2 5.181 -1.189 -8.053 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.193 -1.651 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.357 -0.170 -8.581 1.00 0.00 H new ATOM 0 HG SER A 2 8.208 -0.108 -6.422 1.00 0.00 H new ATOM 18 N GLY A 3 5.401 -1.612 -10.525 1.00 0.00 N ATOM 19 CA GLY A 3 5.373 -1.994 -11.918 1.00 0.00 C ATOM 20 C GLY A 3 6.762 -2.020 -12.508 1.00 0.00 C ATOM 21 O GLY A 3 7.468 -1.009 -12.477 1.00 0.00 O ATOM 0 H GLY A 3 4.893 -0.756 -10.305 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.915 -2.978 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.751 -1.294 -12.477 1.00 0.00 H new ATOM 25 N LYS A 4 7.161 -3.183 -13.022 1.00 0.00 N ATOM 26 CA LYS A 4 8.484 -3.372 -13.609 1.00 0.00 C ATOM 27 C LYS A 4 9.579 -3.171 -12.547 1.00 0.00 C ATOM 28 O LYS A 4 10.566 -2.468 -12.769 1.00 0.00 O ATOM 29 CB LYS A 4 8.686 -2.423 -14.808 1.00 0.00 C ATOM 30 CG LYS A 4 9.951 -2.690 -15.619 1.00 0.00 C ATOM 31 CD LYS A 4 10.127 -1.693 -16.764 1.00 0.00 C ATOM 32 CE LYS A 4 10.639 -0.327 -16.287 1.00 0.00 C ATOM 33 NZ LYS A 4 9.625 0.444 -15.517 1.00 0.00 N ATOM 0 H LYS A 4 6.576 -4.018 -13.042 1.00 0.00 H new ATOM 0 HA LYS A 4 8.558 -4.395 -13.977 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.822 -2.503 -15.468 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.714 -1.397 -14.442 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.819 -2.641 -14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.914 -3.702 -16.023 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.825 -2.103 -17.494 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.173 -1.561 -17.275 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.522 -0.474 -15.666 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.951 0.259 -17.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.687 1.450 -15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.674 0.088 -15.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.805 0.333 -14.499 1.00 0.00 H new ATOM 47 N GLY A 5 9.379 -3.785 -11.386 1.00 0.00 N ATOM 48 CA GLY A 5 10.364 -3.709 -10.325 1.00 0.00 C ATOM 49 C GLY A 5 11.593 -4.517 -10.670 1.00 0.00 C ATOM 50 O GLY A 5 12.717 -4.121 -10.374 1.00 0.00 O ATOM 0 H GLY A 5 8.550 -4.335 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.643 -2.669 -10.157 1.00 0.00 H new ATOM 0 HA3 GLY A 5 9.931 -4.077 -9.395 1.00 0.00 H new ATOM 54 N LYS A 6 11.363 -5.663 -11.284 1.00 0.00 N ATOM 55 CA LYS A 6 12.428 -6.525 -11.767 1.00 0.00 C ATOM 56 C LYS A 6 12.022 -7.083 -13.119 1.00 0.00 C ATOM 57 O LYS A 6 11.148 -7.953 -13.209 1.00 0.00 O ATOM 58 CB LYS A 6 12.732 -7.661 -10.774 1.00 0.00 C ATOM 59 CG LYS A 6 13.168 -7.175 -9.395 1.00 0.00 C ATOM 60 CD LYS A 6 13.808 -8.283 -8.571 1.00 0.00 C ATOM 61 CE LYS A 6 12.877 -9.459 -8.371 1.00 0.00 C ATOM 62 NZ LYS A 6 13.484 -10.502 -7.503 1.00 0.00 N ATOM 0 H LYS A 6 10.426 -6.025 -11.463 1.00 0.00 H new ATOM 0 HA LYS A 6 13.343 -5.941 -11.866 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.844 -8.283 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.516 -8.294 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.876 -6.354 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.304 -6.780 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.718 -8.622 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.103 -7.886 -7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.945 -9.113 -7.925 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.626 -9.893 -9.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.845 -11.320 -7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.395 -10.802 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.638 -10.114 -6.550 1.00 0.00 H new ATOM 76 N GLY A 7 12.638 -6.567 -14.164 1.00 0.00 N ATOM 77 CA GLY A 7 12.262 -6.930 -15.511 1.00 0.00 C ATOM 78 C GLY A 7 12.861 -8.231 -15.994 1.00 0.00 C ATOM 79 O GLY A 7 13.325 -9.055 -15.204 1.00 0.00 O ATOM 0 H GLY A 7 13.402 -5.894 -14.103 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.176 -7.001 -15.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.564 -6.131 -16.188 1.00 0.00 H new ATOM 83 N GLU A 8 12.855 -8.406 -17.306 1.00 0.00 N ATOM 84 CA GLU A 8 13.362 -9.614 -17.937 1.00 0.00 C ATOM 85 C GLU A 8 14.874 -9.568 -18.038 1.00 0.00 C ATOM 86 O GLU A 8 15.523 -10.575 -18.318 1.00 0.00 O ATOM 87 CB GLU A 8 12.769 -9.786 -19.350 1.00 0.00 C ATOM 88 CG GLU A 8 11.239 -9.781 -19.429 1.00 0.00 C ATOM 89 CD GLU A 8 10.619 -8.422 -19.133 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.499 -8.384 -18.580 1.00 0.00 O ATOM 91 OE2 GLU A 8 11.262 -7.386 -19.431 1.00 0.00 O ATOM 0 H GLU A 8 12.498 -7.713 -17.964 1.00 0.00 H new ATOM 0 HA GLU A 8 13.064 -10.460 -17.317 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.151 -8.986 -19.985 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.134 -10.725 -19.766 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.934 -10.101 -20.425 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.844 -10.513 -18.724 1.00 0.00 H new ATOM 98 N LYS A 9 15.427 -8.395 -17.796 1.00 0.00 N ATOM 99 CA LYS A 9 16.860 -8.175 -17.902 1.00 0.00 C ATOM 100 C LYS A 9 17.583 -8.606 -16.639 1.00 0.00 C ATOM 101 O LYS A 9 18.807 -8.463 -16.528 1.00 0.00 O ATOM 102 CB LYS A 9 17.133 -6.710 -18.164 1.00 0.00 C ATOM 103 CG LYS A 9 16.467 -6.167 -19.421 1.00 0.00 C ATOM 104 CD LYS A 9 16.886 -6.940 -20.662 1.00 0.00 C ATOM 105 CE LYS A 9 16.268 -6.352 -21.923 1.00 0.00 C ATOM 106 NZ LYS A 9 16.679 -4.942 -22.134 1.00 0.00 N ATOM 0 H LYS A 9 14.898 -7.568 -17.521 1.00 0.00 H new ATOM 0 HA LYS A 9 17.232 -8.778 -18.730 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.793 -6.129 -17.306 1.00 0.00 H new ATOM 0 HB3 LYS A 9 18.210 -6.561 -18.243 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.384 -6.218 -19.309 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.725 -5.115 -19.544 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.972 -6.929 -20.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.585 -7.983 -20.561 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.564 -6.950 -22.785 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.182 -6.407 -21.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.456 -4.658 -23.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.167 -4.328 -21.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.702 -4.851 -21.972 1.00 0.00 H new ATOM 120 N CYS A 10 16.831 -9.107 -15.691 1.00 0.00 N ATOM 121 CA CYS A 10 17.385 -9.569 -14.442 1.00 0.00 C ATOM 122 C CYS A 10 18.134 -10.868 -14.616 1.00 0.00 C ATOM 123 O CYS A 10 17.940 -11.596 -15.593 1.00 0.00 O ATOM 124 CB CYS A 10 16.292 -9.735 -13.407 1.00 0.00 C ATOM 125 SG CYS A 10 15.530 -8.194 -12.929 1.00 0.00 S ATOM 0 H CYS A 10 15.818 -9.206 -15.763 1.00 0.00 H new ATOM 0 HA CYS A 10 18.092 -8.815 -14.097 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.527 -10.403 -13.801 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.709 -10.215 -12.522 1.00 0.00 H new ATOM 130 N THR A 11 18.980 -11.149 -13.667 1.00 0.00 N ATOM 131 CA THR A 11 19.777 -12.340 -13.682 1.00 0.00 C ATOM 132 C THR A 11 19.125 -13.409 -12.824 1.00 0.00 C ATOM 133 O THR A 11 18.175 -13.126 -12.089 1.00 0.00 O ATOM 134 CB THR A 11 21.163 -12.034 -13.130 1.00 0.00 C ATOM 135 OG1 THR A 11 21.048 -11.520 -11.792 1.00 0.00 O ATOM 136 CG2 THR A 11 21.848 -11.014 -14.003 1.00 0.00 C ATOM 0 H THR A 11 19.137 -10.552 -12.855 1.00 0.00 H new ATOM 0 HA THR A 11 19.860 -12.698 -14.708 1.00 0.00 H new ATOM 0 HB THR A 11 21.752 -12.951 -13.118 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.941 -11.325 -11.439 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.839 -10.799 -13.603 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.943 -11.406 -15.015 1.00 0.00 H new ATOM 0 HG23 THR A 11 21.258 -10.097 -14.023 1.00 0.00 H new ATOM 144 N SER A 12 19.632 -14.629 -12.896 1.00 0.00 N ATOM 145 CA SER A 12 19.109 -15.704 -12.079 1.00 0.00 C ATOM 146 C SER A 12 19.363 -15.409 -10.606 1.00 0.00 C ATOM 147 O SER A 12 18.623 -15.862 -9.728 1.00 0.00 O ATOM 148 CB SER A 12 19.740 -17.032 -12.478 1.00 0.00 C ATOM 149 OG SER A 12 19.452 -17.341 -13.834 1.00 0.00 O ATOM 0 H SER A 12 20.402 -14.896 -13.510 1.00 0.00 H new ATOM 0 HA SER A 12 18.033 -15.777 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.819 -16.985 -12.333 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.366 -17.826 -11.832 1.00 0.00 H new ATOM 0 HG SER A 12 19.835 -16.651 -14.415 1.00 0.00 H new ATOM 155 N ALA A 13 20.400 -14.625 -10.353 1.00 0.00 N ATOM 156 CA ALA A 13 20.747 -14.215 -9.012 1.00 0.00 C ATOM 157 C ALA A 13 19.657 -13.316 -8.425 1.00 0.00 C ATOM 158 O ALA A 13 19.193 -13.534 -7.306 1.00 0.00 O ATOM 159 CB ALA A 13 22.087 -13.497 -9.021 1.00 0.00 C ATOM 0 H ALA A 13 21.021 -14.258 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 13 20.828 -15.102 -8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.342 -13.191 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.857 -14.168 -9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.024 -12.617 -9.661 1.00 0.00 H new ATOM 165 N CYS A 14 19.238 -12.324 -9.197 1.00 0.00 N ATOM 166 CA CYS A 14 18.202 -11.395 -8.757 1.00 0.00 C ATOM 167 C CYS A 14 16.821 -12.063 -8.771 1.00 0.00 C ATOM 168 O CYS A 14 15.915 -11.663 -8.039 1.00 0.00 O ATOM 169 CB CYS A 14 18.199 -10.141 -9.638 1.00 0.00 C ATOM 170 SG CYS A 14 17.018 -8.872 -9.124 1.00 0.00 S ATOM 0 H CYS A 14 19.599 -12.140 -10.133 1.00 0.00 H new ATOM 0 HA CYS A 14 18.425 -11.101 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.200 -9.710 -9.639 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.977 -10.433 -10.664 1.00 0.00 H new ATOM 175 N ARG A 15 16.665 -13.093 -9.598 1.00 0.00 N ATOM 176 CA ARG A 15 15.396 -13.814 -9.679 1.00 0.00 C ATOM 177 C ARG A 15 15.243 -14.804 -8.528 1.00 0.00 C ATOM 178 O ARG A 15 14.223 -15.478 -8.404 1.00 0.00 O ATOM 179 CB ARG A 15 15.248 -14.520 -11.026 1.00 0.00 C ATOM 180 CG ARG A 15 15.092 -13.561 -12.192 1.00 0.00 C ATOM 181 CD ARG A 15 14.861 -14.294 -13.497 1.00 0.00 C ATOM 182 NE ARG A 15 16.013 -15.107 -13.887 1.00 0.00 N ATOM 183 CZ ARG A 15 16.546 -15.112 -15.109 1.00 0.00 C ATOM 184 NH1 ARG A 15 16.028 -14.349 -16.064 1.00 0.00 N ATOM 185 NH2 ARG A 15 17.592 -15.881 -15.375 1.00 0.00 N ATOM 0 H ARG A 15 17.394 -13.446 -10.217 1.00 0.00 H new ATOM 0 HA ARG A 15 14.596 -13.078 -9.593 1.00 0.00 H new ATOM 0 HB2 ARG A 15 16.121 -15.149 -11.196 1.00 0.00 H new ATOM 0 HB3 ARG A 15 14.382 -15.180 -10.989 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.256 -12.889 -12.000 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.986 -12.943 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.983 -14.933 -13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.646 -13.571 -14.284 1.00 0.00 H new ATOM 0 HE ARG A 15 16.435 -15.708 -13.179 1.00 0.00 H new ATOM 0 HH11 ARG A 15 15.221 -13.758 -15.863 1.00 0.00 H new ATOM 0 HH12 ARG A 15 16.437 -14.354 -16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 15 17.991 -16.470 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 15 17.998 -15.883 -16.311 1.00 0.00 H new ATOM 199 N SER A 16 16.258 -14.880 -7.692 1.00 0.00 N ATOM 200 CA SER A 16 16.224 -15.723 -6.521 1.00 0.00 C ATOM 201 C SER A 16 16.034 -14.854 -5.285 1.00 0.00 C ATOM 202 O SER A 16 16.447 -13.694 -5.277 1.00 0.00 O ATOM 203 CB SER A 16 17.518 -16.527 -6.417 1.00 0.00 C ATOM 204 OG SER A 16 17.727 -17.298 -7.593 1.00 0.00 O ATOM 0 H SER A 16 17.127 -14.359 -7.807 1.00 0.00 H new ATOM 0 HA SER A 16 15.392 -16.423 -6.597 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.360 -15.852 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.475 -17.184 -5.548 1.00 0.00 H new ATOM 0 HG SER A 16 18.045 -16.715 -8.314 1.00 0.00 H new ATOM 210 N GLU A 17 15.394 -15.391 -4.260 1.00 0.00 N ATOM 211 CA GLU A 17 15.171 -14.638 -3.037 1.00 0.00 C ATOM 212 C GLU A 17 15.841 -15.320 -1.847 1.00 0.00 C ATOM 213 O GLU A 17 15.688 -16.527 -1.648 1.00 0.00 O ATOM 214 CB GLU A 17 13.673 -14.424 -2.780 1.00 0.00 C ATOM 215 CG GLU A 17 12.852 -15.701 -2.704 1.00 0.00 C ATOM 216 CD GLU A 17 11.398 -15.428 -2.397 1.00 0.00 C ATOM 217 OE1 GLU A 17 10.629 -15.159 -3.339 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.016 -15.478 -1.204 1.00 0.00 O ATOM 0 H GLU A 17 15.021 -16.340 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 17 15.627 -13.656 -3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.553 -13.875 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.269 -13.795 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.927 -16.236 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.268 -16.353 -1.936 1.00 0.00 H new ATOM 225 N PRO A 18 16.625 -14.563 -1.059 1.00 0.00 N ATOM 226 CA PRO A 18 16.862 -13.133 -1.295 1.00 0.00 C ATOM 227 C PRO A 18 17.767 -12.909 -2.499 1.00 0.00 C ATOM 228 O PRO A 18 18.282 -13.870 -3.081 1.00 0.00 O ATOM 229 CB PRO A 18 17.564 -12.651 -0.015 1.00 0.00 C ATOM 230 CG PRO A 18 17.520 -13.807 0.938 1.00 0.00 C ATOM 231 CD PRO A 18 17.352 -15.045 0.107 1.00 0.00 C ATOM 0 HA PRO A 18 15.936 -12.599 -1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 18 18.592 -12.354 -0.222 1.00 0.00 H new ATOM 0 HB3 PRO A 18 17.059 -11.780 0.403 1.00 0.00 H new ATOM 0 HG2 PRO A 18 18.436 -13.858 1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.694 -13.698 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 18 18.313 -15.479 -0.168 1.00 0.00 H new ATOM 0 HD3 PRO A 18 16.795 -15.816 0.640 1.00 0.00 H new ATOM 239 N CYS A 19 17.963 -11.649 -2.862 1.00 0.00 N ATOM 240 CA CYS A 19 18.782 -11.297 -4.012 1.00 0.00 C ATOM 241 C CYS A 19 20.176 -11.895 -3.894 1.00 0.00 C ATOM 242 O CYS A 19 20.804 -11.842 -2.830 1.00 0.00 O ATOM 243 CB CYS A 19 18.872 -9.790 -4.154 1.00 0.00 C ATOM 244 SG CYS A 19 19.727 -9.241 -5.644 1.00 0.00 S ATOM 0 H CYS A 19 17.563 -10.849 -2.372 1.00 0.00 H new ATOM 0 HA CYS A 19 18.307 -11.710 -4.902 1.00 0.00 H new ATOM 0 HB2 CYS A 19 17.864 -9.375 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.386 -9.384 -3.283 1.00 0.00 H new ATOM 249 N GLN A 20 20.655 -12.460 -4.980 1.00 0.00 N ATOM 250 CA GLN A 20 21.943 -13.118 -4.985 1.00 0.00 C ATOM 251 C GLN A 20 22.969 -12.343 -5.806 1.00 0.00 C ATOM 252 O GLN A 20 23.986 -12.891 -6.212 1.00 0.00 O ATOM 253 CB GLN A 20 21.792 -14.543 -5.515 1.00 0.00 C ATOM 254 CG GLN A 20 20.848 -15.394 -4.680 1.00 0.00 C ATOM 255 CD GLN A 20 21.355 -15.595 -3.266 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.562 -15.624 -3.028 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.444 -15.716 -2.324 1.00 0.00 N ATOM 0 H GLN A 20 20.169 -12.477 -5.876 1.00 0.00 H new ATOM 0 HA GLN A 20 22.311 -13.153 -3.960 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.426 -14.506 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.772 -15.019 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.867 -14.920 -4.648 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.718 -16.365 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.453 -15.686 -2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 20 20.728 -15.839 -1.352 1.00 0.00 H new ATOM 266 N CYS A 21 22.711 -11.063 -6.029 1.00 0.00 N ATOM 267 CA CYS A 21 23.640 -10.215 -6.778 1.00 0.00 C ATOM 268 C CYS A 21 24.686 -9.599 -5.842 1.00 0.00 C ATOM 269 O CYS A 21 25.228 -8.529 -6.118 1.00 0.00 O ATOM 270 CB CYS A 21 22.884 -9.104 -7.492 1.00 0.00 C ATOM 271 SG CYS A 21 21.633 -9.675 -8.663 1.00 0.00 S ATOM 0 H CYS A 21 21.870 -10.585 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 21 24.147 -10.839 -7.515 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.402 -8.473 -6.745 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.601 -8.478 -8.023 1.00 0.00 H new ATOM 276 N GLY A 22 24.968 -10.291 -4.746 1.00 0.00 N ATOM 277 CA GLY A 22 25.930 -9.805 -3.769 1.00 0.00 C ATOM 278 C GLY A 22 27.328 -9.630 -4.340 1.00 0.00 C ATOM 279 O GLY A 22 28.006 -8.642 -4.045 1.00 0.00 O ATOM 0 H GLY A 22 24.544 -11.189 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.584 -8.850 -3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 22 25.971 -10.502 -2.932 1.00 0.00 H new ATOM 283 N SER A 23 27.761 -10.582 -5.144 1.00 0.00 N ATOM 284 CA SER A 23 29.080 -10.523 -5.752 1.00 0.00 C ATOM 285 C SER A 23 29.001 -10.740 -7.253 1.00 0.00 C ATOM 286 O SER A 23 30.013 -10.995 -7.912 1.00 0.00 O ATOM 287 CB SER A 23 30.006 -11.551 -5.102 1.00 0.00 C ATOM 288 OG SER A 23 29.354 -12.806 -4.952 1.00 0.00 O ATOM 0 H SER A 23 27.218 -11.409 -5.393 1.00 0.00 H new ATOM 0 HA SER A 23 29.491 -9.528 -5.584 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.902 -11.674 -5.711 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.330 -11.187 -4.127 1.00 0.00 H new ATOM 0 HG SER A 23 29.968 -13.446 -4.536 1.00 0.00 H new ATOM 294 N LYS A 24 27.803 -10.618 -7.792 1.00 0.00 N ATOM 295 CA LYS A 24 27.594 -10.793 -9.208 1.00 0.00 C ATOM 296 C LYS A 24 26.267 -10.187 -9.640 1.00 0.00 C ATOM 297 O LYS A 24 25.211 -10.775 -9.425 1.00 0.00 O ATOM 298 CB LYS A 24 27.631 -12.278 -9.584 1.00 0.00 C ATOM 299 CG LYS A 24 27.493 -12.518 -11.069 1.00 0.00 C ATOM 300 CD LYS A 24 27.362 -13.997 -11.397 1.00 0.00 C ATOM 301 CE LYS A 24 27.134 -14.207 -12.886 1.00 0.00 C ATOM 302 NZ LYS A 24 27.035 -15.644 -13.244 1.00 0.00 N ATOM 0 H LYS A 24 26.959 -10.397 -7.264 1.00 0.00 H new ATOM 0 HA LYS A 24 28.401 -10.277 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.570 -12.711 -9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.828 -12.799 -9.062 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.619 -11.985 -11.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.361 -12.108 -11.585 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.264 -14.523 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.533 -14.426 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.219 -13.696 -13.187 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.952 -13.751 -13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.880 -15.737 -14.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.917 -16.129 -12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 26.238 -16.075 -12.733 1.00 0.00 H new ATOM 316 N CYS A 25 26.324 -9.014 -10.224 1.00 0.00 N ATOM 317 CA CYS A 25 25.138 -8.363 -10.726 1.00 0.00 C ATOM 318 C CYS A 25 25.275 -8.115 -12.211 1.00 0.00 C ATOM 319 O CYS A 25 26.206 -7.446 -12.657 1.00 0.00 O ATOM 320 CB CYS A 25 24.876 -7.043 -10.006 1.00 0.00 C ATOM 321 SG CYS A 25 23.385 -6.192 -10.583 1.00 0.00 S ATOM 0 H CYS A 25 27.186 -8.488 -10.364 1.00 0.00 H new ATOM 0 HA CYS A 25 24.291 -9.024 -10.540 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.786 -7.233 -8.936 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.736 -6.387 -10.142 1.00 0.00 H new ATOM 326 N GLN A 26 24.361 -8.663 -12.976 1.00 0.00 N ATOM 327 CA GLN A 26 24.380 -8.494 -14.415 1.00 0.00 C ATOM 328 C GLN A 26 23.026 -8.043 -14.930 1.00 0.00 C ATOM 329 O GLN A 26 22.730 -8.177 -16.115 1.00 0.00 O ATOM 330 CB GLN A 26 24.827 -9.788 -15.107 1.00 0.00 C ATOM 331 CG GLN A 26 26.330 -9.998 -15.092 1.00 0.00 C ATOM 332 CD GLN A 26 26.755 -11.278 -15.777 1.00 0.00 C ATOM 333 OE1 GLN A 26 26.030 -12.275 -15.769 1.00 0.00 O ATOM 334 NE2 GLN A 26 27.929 -11.259 -16.376 1.00 0.00 N ATOM 0 H GLN A 26 23.590 -9.233 -12.627 1.00 0.00 H new ATOM 0 HA GLN A 26 25.103 -7.714 -14.653 1.00 0.00 H new ATOM 0 HB2 GLN A 26 24.345 -10.636 -14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 26 24.481 -9.776 -16.140 1.00 0.00 H new ATOM 0 HG2 GLN A 26 26.814 -9.153 -15.581 1.00 0.00 H new ATOM 0 HG3 GLN A 26 26.679 -10.012 -14.060 1.00 0.00 H new ATOM 0 HE21 GLN A 26 28.497 -10.412 -16.358 1.00 0.00 H new ATOM 0 HE22 GLN A 26 28.269 -12.091 -16.857 1.00 0.00 H new ATOM 343 N CYS A 27 22.206 -7.506 -14.036 1.00 0.00 N ATOM 344 CA CYS A 27 20.898 -7.005 -14.417 1.00 0.00 C ATOM 345 C CYS A 27 21.055 -5.816 -15.360 1.00 0.00 C ATOM 346 O CYS A 27 21.881 -4.935 -15.129 1.00 0.00 O ATOM 347 CB CYS A 27 20.085 -6.618 -13.174 1.00 0.00 C ATOM 348 SG CYS A 27 19.736 -8.006 -12.058 1.00 0.00 S ATOM 0 H CYS A 27 22.426 -7.408 -13.045 1.00 0.00 H new ATOM 0 HA CYS A 27 20.354 -7.793 -14.938 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.627 -5.850 -12.623 1.00 0.00 H new ATOM 0 HB3 CYS A 27 19.141 -6.176 -13.493 1.00 0.00 H new ATOM 353 N GLY A 28 20.289 -5.815 -16.434 1.00 0.00 N ATOM 354 CA GLY A 28 20.401 -4.752 -17.414 1.00 0.00 C ATOM 355 C GLY A 28 19.692 -3.485 -16.989 1.00 0.00 C ATOM 356 O GLY A 28 20.273 -2.622 -16.326 1.00 0.00 O ATOM 0 H GLY A 28 19.592 -6.528 -16.649 1.00 0.00 H new ATOM 0 HA2 GLY A 28 21.455 -4.533 -17.586 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.987 -5.094 -18.363 1.00 0.00 H new ATOM 360 N GLU A 29 18.441 -3.371 -17.377 1.00 0.00 N ATOM 361 CA GLU A 29 17.633 -2.221 -17.046 1.00 0.00 C ATOM 362 C GLU A 29 16.231 -2.669 -16.681 1.00 0.00 C ATOM 363 O GLU A 29 15.817 -3.775 -17.035 1.00 0.00 O ATOM 364 CB GLU A 29 17.606 -1.245 -18.223 1.00 0.00 C ATOM 365 CG GLU A 29 17.130 -1.864 -19.525 1.00 0.00 C ATOM 366 CD GLU A 29 17.271 -0.928 -20.699 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.245 -0.392 -21.166 1.00 0.00 O ATOM 368 OE2 GLU A 29 18.412 -0.726 -21.168 1.00 0.00 O ATOM 0 H GLU A 29 17.955 -4.076 -17.932 1.00 0.00 H new ATOM 0 HA GLU A 29 18.066 -1.707 -16.188 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.956 -0.406 -17.972 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.607 -0.840 -18.369 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.699 -2.773 -19.720 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.085 -2.157 -19.423 1.00 0.00 H new ATOM 375 N GLY A 30 15.511 -1.825 -15.971 1.00 0.00 N ATOM 376 CA GLY A 30 14.178 -2.183 -15.539 1.00 0.00 C ATOM 377 C GLY A 30 14.227 -2.985 -14.266 1.00 0.00 C ATOM 378 O GLY A 30 13.343 -3.788 -13.986 1.00 0.00 O ATOM 0 H GLY A 30 15.822 -0.897 -15.684 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.587 -1.281 -15.383 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.681 -2.760 -16.319 1.00 0.00 H new ATOM 382 N CYS A 31 15.284 -2.775 -13.512 1.00 0.00 N ATOM 383 CA CYS A 31 15.495 -3.460 -12.259 1.00 0.00 C ATOM 384 C CYS A 31 15.684 -2.454 -11.134 1.00 0.00 C ATOM 385 O CYS A 31 16.433 -1.474 -11.276 1.00 0.00 O ATOM 386 CB CYS A 31 16.719 -4.372 -12.360 1.00 0.00 C ATOM 387 SG CYS A 31 17.231 -5.100 -10.791 1.00 0.00 S ATOM 0 H CYS A 31 16.026 -2.119 -13.755 1.00 0.00 H new ATOM 0 HA CYS A 31 14.618 -4.069 -12.040 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.503 -5.174 -13.066 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.551 -3.800 -12.771 1.00 0.00 H new ATOM 392 N THR A 32 14.987 -2.675 -10.033 1.00 0.00 N ATOM 393 CA THR A 32 15.088 -1.820 -8.879 1.00 0.00 C ATOM 394 C THR A 32 14.466 -2.486 -7.637 1.00 0.00 C ATOM 395 O THR A 32 13.389 -2.112 -7.180 1.00 0.00 O ATOM 396 CB THR A 32 14.448 -0.411 -9.146 1.00 0.00 C ATOM 397 OG1 THR A 32 14.480 0.399 -7.959 1.00 0.00 O ATOM 398 CG2 THR A 32 13.010 -0.529 -9.658 1.00 0.00 C ATOM 0 H THR A 32 14.338 -3.453 -9.921 1.00 0.00 H new ATOM 0 HA THR A 32 16.148 -1.665 -8.680 1.00 0.00 H new ATOM 0 HB THR A 32 15.045 0.070 -9.921 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.710 1.005 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.602 0.467 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.001 -1.092 -10.592 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.401 -1.047 -8.917 1.00 0.00 H new ATOM 406 N CYS A 33 15.141 -3.503 -7.105 1.00 0.00 N ATOM 407 CA CYS A 33 14.642 -4.175 -5.907 1.00 0.00 C ATOM 408 C CYS A 33 15.396 -3.695 -4.681 1.00 0.00 C ATOM 409 O CYS A 33 15.257 -4.247 -3.589 1.00 0.00 O ATOM 410 CB CYS A 33 14.739 -5.697 -6.036 1.00 0.00 C ATOM 411 SG CYS A 33 16.390 -6.376 -5.750 1.00 0.00 S ATOM 0 H CYS A 33 16.016 -3.874 -7.475 1.00 0.00 H new ATOM 0 HA CYS A 33 13.588 -3.920 -5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.046 -6.153 -5.329 1.00 0.00 H new ATOM 0 HB3 CYS A 33 14.411 -5.985 -7.035 1.00 0.00 H new ATOM 416 N ALA A 34 16.201 -2.661 -4.892 1.00 0.00 N ATOM 417 CA ALA A 34 17.018 -2.015 -3.842 1.00 0.00 C ATOM 418 C ALA A 34 18.175 -2.898 -3.336 1.00 0.00 C ATOM 419 O ALA A 34 19.114 -2.396 -2.714 1.00 0.00 O ATOM 420 CB ALA A 34 16.146 -1.551 -2.677 1.00 0.00 C ATOM 0 H ALA A 34 16.315 -2.231 -5.810 1.00 0.00 H new ATOM 0 HA ALA A 34 17.477 -1.145 -4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.772 -1.080 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.409 -0.833 -3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.633 -2.409 -2.242 1.00 0.00 H new ATOM 426 N ALA A 35 18.115 -4.195 -3.608 1.00 0.00 N ATOM 427 CA ALA A 35 19.139 -5.121 -3.136 1.00 0.00 C ATOM 428 C ALA A 35 20.415 -5.032 -3.960 1.00 0.00 C ATOM 429 O ALA A 35 21.498 -4.839 -3.415 1.00 0.00 O ATOM 430 CB ALA A 35 18.609 -6.540 -3.132 1.00 0.00 C ATOM 0 H ALA A 35 17.370 -4.630 -4.152 1.00 0.00 H new ATOM 0 HA ALA A 35 19.391 -4.833 -2.116 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.386 -7.217 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.743 -6.603 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.316 -6.822 -4.143 1.00 0.00 H new ATOM 436 N CYS A 36 20.288 -5.178 -5.262 1.00 0.00 N ATOM 437 CA CYS A 36 21.441 -5.123 -6.152 1.00 0.00 C ATOM 438 C CYS A 36 21.655 -3.712 -6.677 1.00 0.00 C ATOM 439 O CYS A 36 22.770 -3.335 -7.041 1.00 0.00 O ATOM 440 CB CYS A 36 21.226 -6.070 -7.316 1.00 0.00 C ATOM 441 SG CYS A 36 19.764 -5.686 -8.289 1.00 0.00 S ATOM 0 H CYS A 36 19.398 -5.336 -5.734 1.00 0.00 H new ATOM 0 HA CYS A 36 22.327 -5.420 -5.590 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.102 -6.042 -7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.143 -7.088 -6.936 1.00 0.00 H new ATOM 446 N LYS A 37 20.567 -2.941 -6.706 1.00 0.00 N ATOM 447 CA LYS A 37 20.572 -1.571 -7.215 1.00 0.00 C ATOM 448 C LYS A 37 21.717 -0.755 -6.612 1.00 0.00 C ATOM 449 O LYS A 37 21.738 -0.482 -5.407 1.00 0.00 O ATOM 450 CB LYS A 37 19.226 -0.903 -6.921 1.00 0.00 C ATOM 451 CG LYS A 37 18.996 0.400 -7.668 1.00 0.00 C ATOM 452 CD LYS A 37 17.622 0.972 -7.362 1.00 0.00 C ATOM 453 CE LYS A 37 17.312 2.181 -8.228 1.00 0.00 C ATOM 454 NZ LYS A 37 15.979 2.759 -7.917 1.00 0.00 N ATOM 0 H LYS A 37 19.654 -3.252 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 37 20.727 -1.608 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.426 -1.599 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.155 -0.711 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.764 1.122 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.092 0.230 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.864 0.205 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.571 1.255 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.080 2.940 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.347 1.893 -9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.777 3.539 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.250 2.024 -8.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.976 3.119 -6.941 1.00 0.00 H new ATOM 468 N THR A 38 22.663 -0.384 -7.458 1.00 0.00 N ATOM 469 CA THR A 38 23.829 0.368 -7.044 1.00 0.00 C ATOM 470 C THR A 38 23.955 1.657 -7.866 1.00 0.00 C ATOM 471 O THR A 38 23.296 1.808 -8.897 1.00 0.00 O ATOM 472 CB THR A 38 25.119 -0.488 -7.207 1.00 0.00 C ATOM 473 OG1 THR A 38 26.269 0.240 -6.754 1.00 0.00 O ATOM 474 CG2 THR A 38 25.322 -0.903 -8.662 1.00 0.00 C ATOM 0 H THR A 38 22.641 -0.598 -8.455 1.00 0.00 H new ATOM 0 HA THR A 38 23.709 0.628 -5.992 1.00 0.00 H new ATOM 0 HB THR A 38 24.998 -1.385 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 38 27.070 -0.314 -6.862 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.230 -1.500 -8.747 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.468 -1.493 -8.995 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.413 -0.013 -9.285 1.00 0.00 H new ATOM 482 N CYS A 39 24.785 2.579 -7.399 1.00 0.00 N ATOM 483 CA CYS A 39 25.026 3.841 -8.088 1.00 0.00 C ATOM 484 C CYS A 39 26.305 4.475 -7.562 1.00 0.00 C ATOM 485 O CYS A 39 26.578 4.420 -6.363 1.00 0.00 O ATOM 486 CB CYS A 39 23.839 4.797 -7.895 1.00 0.00 C ATOM 487 SG CYS A 39 24.004 6.402 -8.724 1.00 0.00 S ATOM 0 H CYS A 39 25.311 2.474 -6.531 1.00 0.00 H new ATOM 0 HA CYS A 39 25.136 3.645 -9.155 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.935 4.308 -8.259 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.700 4.969 -6.828 1.00 0.00 H new ATOM 492 N ASN A 40 27.099 5.045 -8.456 1.00 0.00 N ATOM 493 CA ASN A 40 28.352 5.686 -8.060 1.00 0.00 C ATOM 494 C ASN A 40 28.194 7.186 -7.943 1.00 0.00 C ATOM 495 O ASN A 40 29.089 7.876 -7.459 1.00 0.00 O ATOM 496 CB ASN A 40 29.484 5.342 -9.028 1.00 0.00 C ATOM 497 CG ASN A 40 30.012 3.933 -8.825 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.925 3.710 -8.036 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.443 2.980 -9.526 1.00 0.00 N ATOM 0 H ASN A 40 26.903 5.079 -9.456 1.00 0.00 H new ATOM 0 HA ASN A 40 28.615 5.296 -7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.127 5.449 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.299 6.054 -8.898 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.757 2.015 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.686 3.205 -10.172 1.00 0.00 H new ATOM 506 N CYS A 41 27.068 7.695 -8.398 1.00 0.00 N ATOM 507 CA CYS A 41 26.787 9.106 -8.285 1.00 0.00 C ATOM 508 C CYS A 41 26.434 9.454 -6.848 1.00 0.00 C ATOM 509 O CYS A 41 25.731 8.706 -6.174 1.00 0.00 O ATOM 510 CB CYS A 41 25.670 9.503 -9.234 1.00 0.00 C ATOM 511 SG CYS A 41 26.087 9.245 -10.976 1.00 0.00 S ATOM 0 H CYS A 41 26.334 7.150 -8.850 1.00 0.00 H new ATOM 0 HA CYS A 41 27.678 9.668 -8.564 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.776 8.928 -8.992 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.426 10.554 -9.078 1.00 0.00 H new ATOM 516 N THR A 42 26.930 10.579 -6.386 1.00 0.00 N ATOM 517 CA THR A 42 26.737 10.990 -5.015 1.00 0.00 C ATOM 518 C THR A 42 25.843 12.213 -4.946 1.00 0.00 C ATOM 519 O THR A 42 25.324 12.672 -5.972 1.00 0.00 O ATOM 520 CB THR A 42 28.090 11.328 -4.368 1.00 0.00 C ATOM 521 OG1 THR A 42 28.731 12.370 -5.119 1.00 0.00 O ATOM 522 CG2 THR A 42 28.991 10.108 -4.338 1.00 0.00 C ATOM 0 H THR A 42 27.476 11.232 -6.948 1.00 0.00 H new ATOM 0 HA THR A 42 26.266 10.166 -4.479 1.00 0.00 H new ATOM 0 HB THR A 42 27.912 11.658 -3.345 1.00 0.00 H new ATOM 0 HG1 THR A 42 29.593 12.588 -4.707 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.943 10.370 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 42 28.513 9.317 -3.760 1.00 0.00 H new ATOM 0 HG23 THR A 42 29.165 9.759 -5.356 1.00 0.00 H new ATOM 530 N SER A 43 25.688 12.762 -3.743 1.00 0.00 N ATOM 531 CA SER A 43 24.886 13.960 -3.537 1.00 0.00 C ATOM 532 C SER A 43 25.574 15.197 -4.136 1.00 0.00 C ATOM 533 O SER A 43 25.088 16.319 -3.994 1.00 0.00 O ATOM 534 CB SER A 43 24.622 14.168 -2.046 1.00 0.00 C ATOM 535 OG SER A 43 24.004 13.022 -1.474 1.00 0.00 O ATOM 0 H SER A 43 26.112 12.391 -2.892 1.00 0.00 H new ATOM 0 HA SER A 43 23.934 13.824 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.561 14.374 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.983 15.039 -1.904 1.00 0.00 H new ATOM 0 HG SER A 43 23.846 13.178 -0.519 1.00 0.00 H new ATOM 541 N ASP A 44 26.718 14.975 -4.797 1.00 0.00 N ATOM 542 CA ASP A 44 27.438 16.038 -5.491 1.00 0.00 C ATOM 543 C ASP A 44 26.537 16.666 -6.542 1.00 0.00 C ATOM 544 O ASP A 44 26.565 17.879 -6.764 1.00 0.00 O ATOM 545 CB ASP A 44 28.702 15.477 -6.154 1.00 0.00 C ATOM 546 CG ASP A 44 29.393 16.476 -7.066 1.00 0.00 C ATOM 547 OD1 ASP A 44 30.029 17.420 -6.552 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.326 16.307 -8.303 1.00 0.00 O ATOM 0 H ASP A 44 27.163 14.060 -4.863 1.00 0.00 H new ATOM 0 HA ASP A 44 27.730 16.799 -4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 44 29.400 15.159 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.439 14.590 -6.730 1.00 0.00 H new ATOM 553 N GLY A 45 25.729 15.828 -7.169 1.00 0.00 N ATOM 554 CA GLY A 45 24.800 16.305 -8.168 1.00 0.00 C ATOM 555 C GLY A 45 24.843 15.480 -9.427 1.00 0.00 C ATOM 556 O GLY A 45 24.777 16.025 -10.530 1.00 0.00 O ATOM 0 H GLY A 45 25.700 14.822 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 45 23.790 16.288 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 45 25.029 17.343 -8.408 1.00 0.00 H new ATOM 560 N CYS A 46 24.951 14.155 -9.258 1.00 0.00 N ATOM 561 CA CYS A 46 25.030 13.211 -10.378 1.00 0.00 C ATOM 562 C CYS A 46 26.381 13.307 -11.095 1.00 0.00 C ATOM 563 O CYS A 46 26.998 14.375 -11.149 1.00 0.00 O ATOM 564 CB CYS A 46 23.874 13.429 -11.364 1.00 0.00 C ATOM 565 SG CYS A 46 23.833 12.253 -12.727 1.00 0.00 S ATOM 0 H CYS A 46 24.986 13.709 -8.341 1.00 0.00 H new ATOM 0 HA CYS A 46 24.942 12.205 -9.967 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.931 13.370 -10.820 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.944 14.438 -11.771 1.00 0.00 H new ATOM 570 N LYS A 47 26.852 12.187 -11.629 1.00 0.00 N ATOM 571 CA LYS A 47 28.133 12.171 -12.322 1.00 0.00 C ATOM 572 C LYS A 47 28.013 11.586 -13.725 1.00 0.00 C ATOM 573 O LYS A 47 28.909 11.759 -14.548 1.00 0.00 O ATOM 574 CB LYS A 47 29.181 11.374 -11.531 1.00 0.00 C ATOM 575 CG LYS A 47 29.383 11.833 -10.090 1.00 0.00 C ATOM 576 CD LYS A 47 30.611 11.174 -9.459 1.00 0.00 C ATOM 577 CE LYS A 47 30.560 9.653 -9.569 1.00 0.00 C ATOM 578 NZ LYS A 47 31.776 9.010 -9.007 1.00 0.00 N ATOM 0 H LYS A 47 26.372 11.287 -11.596 1.00 0.00 H new ATOM 0 HA LYS A 47 28.454 13.209 -12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.889 10.324 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.135 11.437 -12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.497 12.917 -10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.497 11.592 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.513 11.543 -9.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.677 11.460 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.679 9.282 -9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.452 9.369 -10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 31.698 7.977 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.615 9.344 -9.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.867 9.258 -8.001 1.00 0.00 H new ATOM 592 N CYS A 48 26.923 10.890 -14.004 1.00 0.00 N ATOM 593 CA CYS A 48 26.765 10.255 -15.306 1.00 0.00 C ATOM 594 C CYS A 48 25.964 11.133 -16.263 1.00 0.00 C ATOM 595 O CYS A 48 26.241 11.172 -17.462 1.00 0.00 O ATOM 596 CB CYS A 48 26.099 8.890 -15.156 1.00 0.00 C ATOM 597 SG CYS A 48 24.329 8.964 -14.826 1.00 0.00 S ATOM 0 H CYS A 48 26.145 10.750 -13.359 1.00 0.00 H new ATOM 0 HA CYS A 48 27.759 10.119 -15.731 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.264 8.316 -16.068 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.586 8.348 -14.346 1.00 0.00 H new ATOM 602 N GLY A 49 24.978 11.838 -15.735 1.00 0.00 N ATOM 603 CA GLY A 49 24.166 12.695 -16.572 1.00 0.00 C ATOM 604 C GLY A 49 22.715 12.264 -16.625 1.00 0.00 C ATOM 605 O GLY A 49 21.891 12.935 -17.241 1.00 0.00 O ATOM 0 H GLY A 49 24.725 11.833 -14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.223 13.718 -16.199 1.00 0.00 H new ATOM 0 HA3 GLY A 49 24.575 12.701 -17.582 1.00 0.00 H new ATOM 609 N LYS A 50 22.396 11.147 -15.986 1.00 0.00 N ATOM 610 CA LYS A 50 21.017 10.657 -15.949 1.00 0.00 C ATOM 611 C LYS A 50 20.240 11.369 -14.852 1.00 0.00 C ATOM 612 O LYS A 50 19.033 11.161 -14.692 1.00 0.00 O ATOM 613 CB LYS A 50 20.980 9.149 -15.705 1.00 0.00 C ATOM 614 CG LYS A 50 21.755 8.321 -16.722 1.00 0.00 C ATOM 615 CD LYS A 50 21.155 8.415 -18.112 1.00 0.00 C ATOM 616 CE LYS A 50 21.883 7.498 -19.080 1.00 0.00 C ATOM 617 NZ LYS A 50 21.299 7.551 -20.441 1.00 0.00 N ATOM 0 H LYS A 50 23.067 10.562 -15.487 1.00 0.00 H new ATOM 0 HA LYS A 50 20.557 10.865 -16.915 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.379 8.945 -14.711 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.941 8.820 -15.705 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.790 8.660 -16.751 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.770 7.279 -16.404 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.099 8.147 -18.075 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.211 9.444 -18.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.935 7.781 -19.126 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.844 6.474 -18.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.825 6.911 -21.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.302 7.257 -20.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.359 8.523 -20.807 1.00 0.00 H new ATOM 631 N GLU A 51 20.957 12.203 -14.095 1.00 0.00 N ATOM 632 CA GLU A 51 20.396 12.985 -13.003 1.00 0.00 C ATOM 633 C GLU A 51 19.948 12.064 -11.866 1.00 0.00 C ATOM 634 O GLU A 51 18.754 11.889 -11.612 1.00 0.00 O ATOM 635 CB GLU A 51 19.247 13.887 -13.506 1.00 0.00 C ATOM 636 CG GLU A 51 19.045 15.176 -12.707 1.00 0.00 C ATOM 637 CD GLU A 51 18.457 14.946 -11.336 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.217 14.845 -11.229 1.00 0.00 O ATOM 639 OE2 GLU A 51 19.226 14.877 -10.356 1.00 0.00 O ATOM 0 H GLU A 51 21.957 12.352 -14.229 1.00 0.00 H new ATOM 0 HA GLU A 51 21.169 13.644 -12.608 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.438 14.148 -14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.320 13.315 -13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.004 15.684 -12.602 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.390 15.843 -13.268 1.00 0.00 H new ATOM 646 N CYS A 52 20.920 11.445 -11.222 1.00 0.00 N ATOM 647 CA CYS A 52 20.675 10.565 -10.098 1.00 0.00 C ATOM 648 C CYS A 52 21.724 10.785 -9.018 1.00 0.00 C ATOM 649 O CYS A 52 22.832 11.246 -9.303 1.00 0.00 O ATOM 650 CB CYS A 52 20.698 9.118 -10.560 1.00 0.00 C ATOM 651 SG CYS A 52 22.084 8.723 -11.639 1.00 0.00 S ATOM 0 H CYS A 52 21.906 11.540 -11.466 1.00 0.00 H new ATOM 0 HA CYS A 52 19.693 10.790 -9.682 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.733 8.468 -9.686 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.768 8.899 -11.084 1.00 0.00 H new ATOM 656 N THR A 53 21.378 10.474 -7.782 1.00 0.00 N ATOM 657 CA THR A 53 22.298 10.650 -6.672 1.00 0.00 C ATOM 658 C THR A 53 22.213 9.480 -5.694 1.00 0.00 C ATOM 659 O THR A 53 21.514 9.553 -4.681 1.00 0.00 O ATOM 660 CB THR A 53 22.023 11.967 -5.909 1.00 0.00 C ATOM 661 OG1 THR A 53 20.644 12.026 -5.511 1.00 0.00 O ATOM 662 CG2 THR A 53 22.353 13.180 -6.764 1.00 0.00 C ATOM 0 H THR A 53 20.466 10.098 -7.521 1.00 0.00 H new ATOM 0 HA THR A 53 23.300 10.691 -7.099 1.00 0.00 H new ATOM 0 HB THR A 53 22.663 11.981 -5.027 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.405 11.202 -5.037 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.149 14.090 -6.199 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.407 13.154 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.740 13.167 -7.665 1.00 0.00 H new ATOM 670 N GLY A 54 22.886 8.398 -6.017 1.00 0.00 N ATOM 671 CA GLY A 54 22.890 7.246 -5.142 1.00 0.00 C ATOM 672 C GLY A 54 21.901 6.195 -5.585 1.00 0.00 C ATOM 673 O GLY A 54 20.978 6.500 -6.330 1.00 0.00 O ATOM 0 H GLY A 54 23.433 8.291 -6.871 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.890 6.814 -5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.653 7.562 -4.126 1.00 0.00 H new ATOM 677 N PRO A 55 22.063 4.939 -5.135 1.00 0.00 N ATOM 678 CA PRO A 55 21.183 3.828 -5.525 1.00 0.00 C ATOM 679 C PRO A 55 19.718 4.099 -5.204 1.00 0.00 C ATOM 680 O PRO A 55 18.826 3.746 -5.974 1.00 0.00 O ATOM 681 CB PRO A 55 21.698 2.645 -4.688 1.00 0.00 C ATOM 682 CG PRO A 55 22.521 3.264 -3.610 1.00 0.00 C ATOM 683 CD PRO A 55 23.114 4.500 -4.211 1.00 0.00 C ATOM 0 HA PRO A 55 21.212 3.655 -6.601 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.873 2.067 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.292 1.961 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.909 3.506 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.300 2.581 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.331 5.255 -3.455 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.049 4.290 -4.730 1.00 0.00 H new ATOM 691 N ASP A 56 19.481 4.759 -4.081 1.00 0.00 N ATOM 692 CA ASP A 56 18.125 5.050 -3.629 1.00 0.00 C ATOM 693 C ASP A 56 17.506 6.181 -4.438 1.00 0.00 C ATOM 694 O ASP A 56 16.304 6.436 -4.353 1.00 0.00 O ATOM 695 CB ASP A 56 18.119 5.414 -2.143 1.00 0.00 C ATOM 696 CG ASP A 56 18.732 4.342 -1.271 1.00 0.00 C ATOM 697 OD1 ASP A 56 18.065 3.317 -1.029 1.00 0.00 O ATOM 698 OD2 ASP A 56 19.886 4.528 -0.811 1.00 0.00 O ATOM 0 H ASP A 56 20.213 5.106 -3.461 1.00 0.00 H new ATOM 0 HA ASP A 56 17.528 4.151 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 56 18.665 6.347 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.093 5.593 -1.822 1.00 0.00 H new ATOM 703 N SER A 57 18.326 6.855 -5.216 1.00 0.00 N ATOM 704 CA SER A 57 17.869 7.956 -6.037 1.00 0.00 C ATOM 705 C SER A 57 18.334 7.765 -7.477 1.00 0.00 C ATOM 706 O SER A 57 18.486 8.727 -8.227 1.00 0.00 O ATOM 707 CB SER A 57 18.402 9.272 -5.478 1.00 0.00 C ATOM 708 OG SER A 57 18.107 9.391 -4.093 1.00 0.00 O ATOM 0 H SER A 57 19.323 6.657 -5.297 1.00 0.00 H new ATOM 0 HA SER A 57 16.779 7.982 -6.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.480 9.326 -5.630 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.961 10.108 -6.021 1.00 0.00 H new ATOM 0 HG SER A 57 18.459 10.241 -3.755 1.00 0.00 H new ATOM 714 N CYS A 58 18.552 6.515 -7.852 1.00 0.00 N ATOM 715 CA CYS A 58 18.994 6.187 -9.192 1.00 0.00 C ATOM 716 C CYS A 58 17.839 5.641 -10.012 1.00 0.00 C ATOM 717 O CYS A 58 16.899 5.052 -9.469 1.00 0.00 O ATOM 718 CB CYS A 58 20.142 5.164 -9.146 1.00 0.00 C ATOM 719 SG CYS A 58 20.768 4.649 -10.773 1.00 0.00 S ATOM 0 H CYS A 58 18.428 5.708 -7.241 1.00 0.00 H new ATOM 0 HA CYS A 58 19.359 7.098 -9.666 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.966 5.589 -8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.801 4.280 -8.607 1.00 0.00 H new ATOM 724 N LYS A 59 17.905 5.857 -11.303 1.00 0.00 N ATOM 725 CA LYS A 59 16.893 5.378 -12.229 1.00 0.00 C ATOM 726 C LYS A 59 17.560 4.466 -13.255 1.00 0.00 C ATOM 727 O LYS A 59 16.904 3.771 -14.031 1.00 0.00 O ATOM 728 CB LYS A 59 16.254 6.581 -12.933 1.00 0.00 C ATOM 729 CG LYS A 59 15.135 6.238 -13.899 1.00 0.00 C ATOM 730 CD LYS A 59 14.776 7.440 -14.752 1.00 0.00 C ATOM 731 CE LYS A 59 13.632 7.135 -15.701 1.00 0.00 C ATOM 732 NZ LYS A 59 12.368 6.871 -14.977 1.00 0.00 N ATOM 0 H LYS A 59 18.664 6.372 -11.749 1.00 0.00 H new ATOM 0 HA LYS A 59 16.121 4.822 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.864 7.261 -12.176 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.030 7.120 -13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.441 5.410 -14.539 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.258 5.905 -13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.501 8.274 -14.107 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.649 7.754 -15.324 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.492 7.975 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.888 6.269 -16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.576 6.869 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.425 5.946 -14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.214 7.613 -14.265 1.00 0.00 H new ATOM 746 N CYS A 60 18.869 4.461 -13.212 1.00 0.00 N ATOM 747 CA CYS A 60 19.686 3.755 -14.162 1.00 0.00 C ATOM 748 C CYS A 60 19.897 2.304 -13.748 1.00 0.00 C ATOM 749 O CYS A 60 20.015 1.994 -12.557 1.00 0.00 O ATOM 750 CB CYS A 60 21.021 4.467 -14.245 1.00 0.00 C ATOM 751 SG CYS A 60 20.883 6.253 -13.984 1.00 0.00 S ATOM 0 H CYS A 60 19.405 4.958 -12.501 1.00 0.00 H new ATOM 0 HA CYS A 60 19.187 3.746 -15.131 1.00 0.00 H new ATOM 0 HB2 CYS A 60 21.698 4.047 -13.501 1.00 0.00 H new ATOM 0 HB3 CYS A 60 21.466 4.281 -15.222 1.00 0.00 H new ATOM 756 N GLY A 61 19.943 1.420 -14.733 1.00 0.00 N ATOM 757 CA GLY A 61 20.188 0.023 -14.461 1.00 0.00 C ATOM 758 C GLY A 61 21.662 -0.246 -14.271 1.00 0.00 C ATOM 759 O GLY A 61 22.483 0.657 -14.442 1.00 0.00 O ATOM 0 H GLY A 61 19.814 1.648 -15.719 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.643 -0.277 -13.566 1.00 0.00 H new ATOM 0 HA3 GLY A 61 19.808 -0.583 -15.284 1.00 0.00 H new ATOM 763 N SER A 62 22.011 -1.481 -13.952 1.00 0.00 N ATOM 764 CA SER A 62 23.402 -1.850 -13.707 1.00 0.00 C ATOM 765 C SER A 62 24.256 -1.741 -14.985 1.00 0.00 C ATOM 766 O SER A 62 25.477 -1.865 -14.939 1.00 0.00 O ATOM 767 CB SER A 62 23.471 -3.262 -13.127 1.00 0.00 C ATOM 768 OG SER A 62 22.629 -3.369 -11.988 1.00 0.00 O ATOM 0 H SER A 62 21.349 -2.251 -13.855 1.00 0.00 H new ATOM 0 HA SER A 62 23.816 -1.147 -12.984 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.167 -3.988 -13.882 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.499 -3.500 -12.852 1.00 0.00 H new ATOM 0 HG SER A 62 22.815 -4.211 -11.522 1.00 0.00 H new ATOM 774 N SER A 63 23.606 -1.486 -16.110 1.00 0.00 N ATOM 775 CA SER A 63 24.294 -1.340 -17.382 1.00 0.00 C ATOM 776 C SER A 63 24.468 0.147 -17.759 1.00 0.00 C ATOM 777 O SER A 63 24.392 0.509 -18.932 1.00 0.00 O ATOM 778 CB SER A 63 23.507 -2.065 -18.473 1.00 0.00 C ATOM 779 OG SER A 63 23.291 -3.425 -18.125 1.00 0.00 O ATOM 0 H SER A 63 22.594 -1.375 -16.167 1.00 0.00 H new ATOM 0 HA SER A 63 25.287 -1.780 -17.288 1.00 0.00 H new ATOM 0 HB2 SER A 63 22.549 -1.568 -18.626 1.00 0.00 H new ATOM 0 HB3 SER A 63 24.050 -2.009 -19.417 1.00 0.00 H new ATOM 0 HG SER A 63 23.082 -3.940 -18.932 1.00 0.00 H new ATOM 785 N CYS A 64 24.702 0.997 -16.768 1.00 0.00 N ATOM 786 CA CYS A 64 24.888 2.421 -17.028 1.00 0.00 C ATOM 787 C CYS A 64 26.330 2.853 -16.729 1.00 0.00 C ATOM 788 O CYS A 64 27.131 2.067 -16.206 1.00 0.00 O ATOM 789 CB CYS A 64 23.903 3.251 -16.202 1.00 0.00 C ATOM 790 SG CYS A 64 23.825 5.002 -16.672 1.00 0.00 S ATOM 0 H CYS A 64 24.767 0.730 -15.786 1.00 0.00 H new ATOM 0 HA CYS A 64 24.693 2.597 -18.086 1.00 0.00 H new ATOM 0 HB2 CYS A 64 22.908 2.816 -16.299 1.00 0.00 H new ATOM 0 HB3 CYS A 64 24.180 3.181 -15.150 1.00 0.00 H new ATOM 795 N SER A 65 26.642 4.104 -17.043 1.00 0.00 N ATOM 796 CA SER A 65 27.977 4.654 -16.853 1.00 0.00 C ATOM 797 C SER A 65 28.296 4.867 -15.369 1.00 0.00 C ATOM 798 O SER A 65 29.457 4.856 -14.966 1.00 0.00 O ATOM 799 CB SER A 65 28.097 5.976 -17.610 1.00 0.00 C ATOM 800 OG SER A 65 27.645 5.832 -18.949 1.00 0.00 O ATOM 0 H SER A 65 25.975 4.767 -17.437 1.00 0.00 H new ATOM 0 HA SER A 65 28.698 3.937 -17.245 1.00 0.00 H new ATOM 0 HB2 SER A 65 27.512 6.744 -17.104 1.00 0.00 H new ATOM 0 HB3 SER A 65 29.134 6.310 -17.605 1.00 0.00 H new ATOM 0 HG SER A 65 27.728 6.689 -19.416 1.00 0.00 H new ATOM 806 N CYS A 66 27.263 5.040 -14.557 1.00 0.00 N ATOM 807 CA CYS A 66 27.445 5.269 -13.127 1.00 0.00 C ATOM 808 C CYS A 66 27.534 3.944 -12.365 1.00 0.00 C ATOM 809 O CYS A 66 27.381 3.907 -11.142 1.00 0.00 O ATOM 810 CB CYS A 66 26.289 6.109 -12.585 1.00 0.00 C ATOM 811 SG CYS A 66 24.685 5.295 -12.674 1.00 0.00 S ATOM 0 H CYS A 66 26.290 5.027 -14.862 1.00 0.00 H new ATOM 0 HA CYS A 66 28.382 5.807 -12.982 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.497 6.367 -11.546 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.241 7.045 -13.142 1.00 0.00 H new ATOM 816 N LYS A 67 27.785 2.858 -13.089 1.00 0.00 N ATOM 817 CA LYS A 67 27.875 1.537 -12.471 1.00 0.00 C ATOM 818 C LYS A 67 29.286 0.978 -12.595 1.00 0.00 C ATOM 819 O LYS A 67 30.135 1.351 -11.747 1.00 0.00 O ATOM 820 CB LYS A 67 26.879 0.569 -13.114 1.00 0.00 C ATOM 821 CG LYS A 67 25.480 1.139 -13.290 1.00 0.00 C ATOM 822 CD LYS A 67 24.918 1.682 -11.990 1.00 0.00 C ATOM 823 CE LYS A 67 23.542 2.274 -12.203 1.00 0.00 C ATOM 824 NZ LYS A 67 23.181 3.221 -11.136 1.00 0.00 N ATOM 0 H LYS A 67 27.929 2.864 -14.099 1.00 0.00 H new ATOM 0 HA LYS A 67 27.630 1.646 -11.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.261 0.267 -14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.818 -0.331 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.504 1.935 -14.035 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.818 0.363 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.864 0.883 -11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.588 2.443 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.511 2.783 -13.166 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.804 1.473 -12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.159 3.409 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.427 2.813 -10.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.701 4.111 -11.271 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 17.361 -7.535 -11.259 1.00 0.00 CD HETATM 840 CD CD A 102 18.228 -7.547 -7.216 1.00 0.00 CD HETATM 841 CD CD A 103 21.069 -7.387 -9.959 1.00 0.00 CD HETATM 842 CD CD A 104 22.909 6.266 -11.012 1.00 0.00 CD HETATM 843 CD CD A 105 23.489 6.367 -14.556 1.00 0.00 CD HETATM 844 CD CD A 106 24.117 9.775 -12.597 1.00 0.00 CD