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 Single : A 1 GLY N :NH3+ -175:sc= -0.122 (180deg=-0.144) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc= 0.522 (180deg=0.314) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0289 (180deg=-0.169) USER MOD Single : A 11 THR OG1 : rot -137:sc= 1.15 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 72:sc= 0.965 USER MOD Single : A 20 GLN : amide:sc= 0.116 K(o=0.12,f=-0.57) USER MOD Single : A 23 SER OG : rot -39:sc= 0.498 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -41:sc= 0.942 USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 2.49 (180deg=2.26) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 42 THR OG1 : rot 157:sc= 1.13 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 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -144:sc= 1.26 (180deg=0.959) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.438! (180deg=-2.54!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.078 -10.335 -4.074 1.00 0.00 N ATOM 2 CA GLY A 1 4.989 -11.341 -4.256 1.00 0.00 C ATOM 3 C GLY A 1 3.604 -10.721 -4.149 1.00 0.00 C ATOM 4 O GLY A 1 2.593 -11.357 -4.486 1.00 0.00 O ATOM 0 H1 GLY A 1 7.000 -10.787 -4.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.948 -9.556 -4.751 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.045 -9.960 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.097 -11.817 -5.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.093 -12.125 -3.505 1.00 0.00 H new ATOM 7 N SER A 2 3.549 -9.489 -3.675 1.00 0.00 N ATOM 8 CA SER A 2 2.289 -8.783 -3.528 1.00 0.00 C ATOM 9 C SER A 2 2.125 -7.738 -4.630 1.00 0.00 C ATOM 10 O SER A 2 1.008 -7.437 -5.061 1.00 0.00 O ATOM 11 CB SER A 2 2.216 -8.120 -2.155 1.00 0.00 C ATOM 12 OG SER A 2 2.409 -9.073 -1.118 1.00 0.00 O ATOM 0 H SER A 2 4.367 -8.954 -3.384 1.00 0.00 H new ATOM 0 HA SER A 2 1.476 -9.504 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.974 -7.340 -2.083 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.248 -7.635 -2.032 1.00 0.00 H new ATOM 0 HG SER A 2 2.360 -8.624 -0.248 1.00 0.00 H new ATOM 18 N GLY A 3 3.237 -7.198 -5.084 1.00 0.00 N ATOM 19 CA GLY A 3 3.217 -6.204 -6.124 1.00 0.00 C ATOM 20 C GLY A 3 4.541 -6.133 -6.838 1.00 0.00 C ATOM 21 O GLY A 3 5.594 -6.110 -6.200 1.00 0.00 O ATOM 0 H GLY A 3 4.169 -7.436 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.428 -6.438 -6.839 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.980 -5.230 -5.695 1.00 0.00 H new ATOM 25 N LYS A 4 4.501 -6.115 -8.155 1.00 0.00 N ATOM 26 CA LYS A 4 5.716 -6.062 -8.949 1.00 0.00 C ATOM 27 C LYS A 4 6.111 -4.627 -9.244 1.00 0.00 C ATOM 28 O LYS A 4 5.493 -3.967 -10.079 1.00 0.00 O ATOM 29 CB LYS A 4 5.537 -6.814 -10.261 1.00 0.00 C ATOM 30 CG LYS A 4 5.173 -8.278 -10.098 1.00 0.00 C ATOM 31 CD LYS A 4 4.992 -8.953 -11.449 1.00 0.00 C ATOM 32 CE LYS A 4 3.896 -8.281 -12.263 1.00 0.00 C ATOM 33 NZ LYS A 4 3.724 -8.915 -13.588 1.00 0.00 N ATOM 0 H LYS A 4 3.639 -6.136 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 4 6.507 -6.536 -8.368 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.760 -6.321 -10.845 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.461 -6.743 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.954 -8.789 -9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.254 -8.365 -9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.930 -8.920 -12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.745 -10.004 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.956 -8.328 -11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.137 -7.226 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.968 -8.428 -14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.613 -8.848 -14.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.469 -9.916 -13.464 1.00 0.00 H new ATOM 47 N GLY A 5 7.132 -4.147 -8.563 1.00 0.00 N ATOM 48 CA GLY A 5 7.615 -2.801 -8.807 1.00 0.00 C ATOM 49 C GLY A 5 8.709 -2.788 -9.849 1.00 0.00 C ATOM 50 O GLY A 5 9.372 -1.774 -10.063 1.00 0.00 O ATOM 0 H GLY A 5 7.639 -4.662 -7.843 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.789 -2.171 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.991 -2.374 -7.877 1.00 0.00 H new ATOM 54 N LYS A 6 8.891 -3.923 -10.495 1.00 0.00 N ATOM 55 CA LYS A 6 9.904 -4.087 -11.512 1.00 0.00 C ATOM 56 C LYS A 6 9.376 -4.978 -12.640 1.00 0.00 C ATOM 57 O LYS A 6 8.173 -5.254 -12.695 1.00 0.00 O ATOM 58 CB LYS A 6 11.197 -4.638 -10.887 1.00 0.00 C ATOM 59 CG LYS A 6 11.008 -5.838 -9.968 1.00 0.00 C ATOM 60 CD LYS A 6 12.272 -6.091 -9.158 1.00 0.00 C ATOM 61 CE LYS A 6 12.189 -7.376 -8.349 1.00 0.00 C ATOM 62 NZ LYS A 6 13.470 -7.665 -7.647 1.00 0.00 N ATOM 0 H LYS A 6 8.335 -4.761 -10.326 1.00 0.00 H new ATOM 0 HA LYS A 6 10.145 -3.118 -11.950 1.00 0.00 H new ATOM 0 HB2 LYS A 6 11.880 -4.918 -11.689 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.679 -3.840 -10.323 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.168 -5.661 -9.297 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.764 -6.721 -10.558 1.00 0.00 H new ATOM 0 HD2 LYS A 6 13.128 -6.142 -9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.445 -5.251 -8.485 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.383 -7.296 -7.619 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.940 -8.207 -9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.321 -8.424 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 14.185 -7.965 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.799 -6.808 -7.158 1.00 0.00 H new ATOM 76 N GLY A 7 10.251 -5.427 -13.532 1.00 0.00 N ATOM 77 CA GLY A 7 9.790 -6.205 -14.665 1.00 0.00 C ATOM 78 C GLY A 7 10.634 -7.430 -14.949 1.00 0.00 C ATOM 79 O GLY A 7 11.168 -8.059 -14.031 1.00 0.00 O ATOM 0 H GLY A 7 11.258 -5.269 -13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.761 -6.518 -14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.779 -5.569 -15.550 1.00 0.00 H new ATOM 83 N GLU A 8 10.765 -7.757 -16.231 1.00 0.00 N ATOM 84 CA GLU A 8 11.501 -8.942 -16.672 1.00 0.00 C ATOM 85 C GLU A 8 12.986 -8.663 -16.844 1.00 0.00 C ATOM 86 O GLU A 8 13.711 -9.464 -17.430 1.00 0.00 O ATOM 87 CB GLU A 8 10.925 -9.465 -17.989 1.00 0.00 C ATOM 88 CG GLU A 8 9.508 -9.985 -17.879 1.00 0.00 C ATOM 89 CD GLU A 8 9.385 -11.104 -16.872 1.00 0.00 C ATOM 90 OE1 GLU A 8 10.213 -12.034 -16.907 1.00 0.00 O ATOM 91 OE2 GLU A 8 8.451 -11.067 -16.053 1.00 0.00 O ATOM 0 H GLU A 8 10.365 -7.210 -16.994 1.00 0.00 H new ATOM 0 HA GLU A 8 11.389 -9.696 -15.893 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.951 -8.664 -18.728 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.566 -10.264 -18.362 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.845 -9.168 -17.594 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.176 -10.339 -18.855 1.00 0.00 H new ATOM 98 N LYS A 9 13.444 -7.542 -16.330 1.00 0.00 N ATOM 99 CA LYS A 9 14.848 -7.199 -16.439 1.00 0.00 C ATOM 100 C LYS A 9 15.617 -7.784 -15.283 1.00 0.00 C ATOM 101 O LYS A 9 16.840 -7.701 -15.231 1.00 0.00 O ATOM 102 CB LYS A 9 15.041 -5.694 -16.489 1.00 0.00 C ATOM 103 CG LYS A 9 14.302 -5.022 -17.634 1.00 0.00 C ATOM 104 CD LYS A 9 14.771 -5.539 -18.987 1.00 0.00 C ATOM 105 CE LYS A 9 13.888 -5.027 -20.116 1.00 0.00 C ATOM 106 NZ LYS A 9 13.750 -3.550 -20.094 1.00 0.00 N ATOM 0 H LYS A 9 12.872 -6.857 -15.836 1.00 0.00 H new ATOM 0 HA LYS A 9 15.229 -7.620 -17.370 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.704 -5.262 -15.547 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.105 -5.476 -16.577 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.231 -5.197 -17.529 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.455 -3.944 -17.583 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.801 -5.228 -19.160 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.764 -6.629 -18.984 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.309 -5.337 -21.073 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.901 -5.484 -20.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.332 -3.227 -20.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.134 -3.271 -19.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.687 -3.116 -19.972 1.00 0.00 H new ATOM 120 N CYS A 10 14.889 -8.362 -14.356 1.00 0.00 N ATOM 121 CA CYS A 10 15.482 -8.991 -13.210 1.00 0.00 C ATOM 122 C CYS A 10 16.029 -10.347 -13.558 1.00 0.00 C ATOM 123 O CYS A 10 15.604 -10.984 -14.532 1.00 0.00 O ATOM 124 CB CYS A 10 14.472 -9.114 -12.085 1.00 0.00 C ATOM 125 SG CYS A 10 14.101 -7.563 -11.279 1.00 0.00 S ATOM 0 H CYS A 10 13.870 -8.407 -14.379 1.00 0.00 H new ATOM 0 HA CYS A 10 16.307 -8.362 -12.877 1.00 0.00 H new ATOM 0 HB2 CYS A 10 13.549 -9.537 -12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 10 14.851 -9.817 -11.343 1.00 0.00 H new ATOM 130 N THR A 11 16.959 -10.785 -12.770 1.00 0.00 N ATOM 131 CA THR A 11 17.578 -12.059 -12.962 1.00 0.00 C ATOM 132 C THR A 11 16.903 -13.096 -12.082 1.00 0.00 C ATOM 133 O THR A 11 16.119 -12.750 -11.188 1.00 0.00 O ATOM 134 CB THR A 11 19.053 -11.977 -12.580 1.00 0.00 C ATOM 135 OG1 THR A 11 19.163 -11.787 -11.162 1.00 0.00 O ATOM 136 CG2 THR A 11 19.707 -10.812 -13.293 1.00 0.00 C ATOM 0 H THR A 11 17.314 -10.264 -11.968 1.00 0.00 H new ATOM 0 HA THR A 11 17.481 -12.344 -14.010 1.00 0.00 H new ATOM 0 HB THR A 11 19.552 -12.901 -12.871 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.848 -11.111 -10.975 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.760 -10.760 -13.015 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.623 -10.951 -14.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.210 -9.885 -13.007 1.00 0.00 H new ATOM 144 N SER A 12 17.201 -14.357 -12.317 1.00 0.00 N ATOM 145 CA SER A 12 16.677 -15.413 -11.477 1.00 0.00 C ATOM 146 C SER A 12 17.360 -15.365 -10.109 1.00 0.00 C ATOM 147 O SER A 12 16.874 -15.926 -9.130 1.00 0.00 O ATOM 148 CB SER A 12 16.881 -16.772 -12.143 1.00 0.00 C ATOM 149 OG SER A 12 16.229 -16.817 -13.407 1.00 0.00 O ATOM 0 H SER A 12 17.800 -14.674 -13.079 1.00 0.00 H new ATOM 0 HA SER A 12 15.606 -15.266 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.946 -16.963 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.491 -17.560 -11.499 1.00 0.00 H new ATOM 0 HG SER A 12 16.373 -17.695 -13.818 1.00 0.00 H new ATOM 155 N ALA A 13 18.485 -14.662 -10.056 1.00 0.00 N ATOM 156 CA ALA A 13 19.237 -14.492 -8.831 1.00 0.00 C ATOM 157 C ALA A 13 18.570 -13.444 -7.942 1.00 0.00 C ATOM 158 O ALA A 13 18.515 -13.595 -6.720 1.00 0.00 O ATOM 159 CB ALA A 13 20.669 -14.090 -9.155 1.00 0.00 C ATOM 0 H ALA A 13 18.897 -14.196 -10.864 1.00 0.00 H new ATOM 0 HA ALA A 13 19.255 -15.438 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.230 -13.964 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.137 -14.867 -9.760 1.00 0.00 H new ATOM 0 HB3 ALA A 13 20.667 -13.151 -9.709 1.00 0.00 H new ATOM 165 N CYS A 14 18.051 -12.394 -8.569 1.00 0.00 N ATOM 166 CA CYS A 14 17.367 -11.319 -7.849 1.00 0.00 C ATOM 167 C CYS A 14 16.016 -11.792 -7.332 1.00 0.00 C ATOM 168 O CYS A 14 15.523 -11.316 -6.314 1.00 0.00 O ATOM 169 CB CYS A 14 17.185 -10.092 -8.757 1.00 0.00 C ATOM 170 SG CYS A 14 16.335 -8.692 -7.979 1.00 0.00 S ATOM 0 H CYS A 14 18.090 -12.262 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 14 17.985 -11.036 -6.997 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.166 -9.760 -9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.625 -10.392 -9.643 1.00 0.00 H new ATOM 175 N ARG A 15 15.425 -12.751 -8.033 1.00 0.00 N ATOM 176 CA ARG A 15 14.128 -13.287 -7.642 1.00 0.00 C ATOM 177 C ARG A 15 14.279 -14.349 -6.552 1.00 0.00 C ATOM 178 O ARG A 15 13.318 -15.033 -6.197 1.00 0.00 O ATOM 179 CB ARG A 15 13.388 -13.855 -8.855 1.00 0.00 C ATOM 180 CG ARG A 15 13.102 -12.823 -9.940 1.00 0.00 C ATOM 181 CD ARG A 15 12.175 -13.375 -11.013 1.00 0.00 C ATOM 182 NE ARG A 15 10.858 -13.729 -10.472 1.00 0.00 N ATOM 183 CZ ARG A 15 9.760 -13.917 -11.212 1.00 0.00 C ATOM 184 NH1 ARG A 15 9.808 -13.778 -12.536 1.00 0.00 N ATOM 185 NH2 ARG A 15 8.613 -14.239 -10.623 1.00 0.00 N ATOM 0 H ARG A 15 15.822 -13.173 -8.873 1.00 0.00 H new ATOM 0 HA ARG A 15 13.535 -12.469 -7.233 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.979 -14.664 -9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 15 12.445 -14.290 -8.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.652 -11.938 -9.491 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.040 -12.506 -10.397 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.055 -12.635 -11.804 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.629 -14.256 -11.467 1.00 0.00 H new ATOM 0 HE ARG A 15 10.774 -13.839 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.686 -13.527 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.967 -13.923 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.572 -14.342 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.774 -14.383 -11.185 1.00 0.00 H new ATOM 199 N SER A 16 15.483 -14.467 -6.023 1.00 0.00 N ATOM 200 CA SER A 16 15.772 -15.408 -4.964 1.00 0.00 C ATOM 201 C SER A 16 15.982 -14.653 -3.658 1.00 0.00 C ATOM 202 O SER A 16 16.293 -13.460 -3.671 1.00 0.00 O ATOM 203 CB SER A 16 17.023 -16.210 -5.315 1.00 0.00 C ATOM 204 OG SER A 16 16.891 -16.813 -6.592 1.00 0.00 O ATOM 0 H SER A 16 16.286 -13.912 -6.318 1.00 0.00 H new ATOM 0 HA SER A 16 14.934 -16.095 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.895 -15.556 -5.305 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.192 -16.978 -4.560 1.00 0.00 H new ATOM 0 HG SER A 16 16.953 -16.125 -7.287 1.00 0.00 H new ATOM 210 N GLU A 17 15.803 -15.333 -2.540 1.00 0.00 N ATOM 211 CA GLU A 17 15.999 -14.709 -1.243 1.00 0.00 C ATOM 212 C GLU A 17 16.949 -15.538 -0.373 1.00 0.00 C ATOM 213 O GLU A 17 16.701 -16.720 -0.121 1.00 0.00 O ATOM 214 CB GLU A 17 14.659 -14.477 -0.535 1.00 0.00 C ATOM 215 CG GLU A 17 13.785 -15.713 -0.417 1.00 0.00 C ATOM 216 CD GLU A 17 12.499 -15.437 0.322 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.530 -14.977 -0.316 1.00 0.00 O ATOM 218 OE2 GLU A 17 12.449 -15.677 1.545 1.00 0.00 O ATOM 0 H GLU A 17 15.523 -16.313 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 17 16.461 -13.735 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.854 -14.089 0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.107 -13.707 -1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.555 -16.089 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.337 -16.498 0.100 1.00 0.00 H new ATOM 225 N PRO A 18 18.069 -14.935 0.081 1.00 0.00 N ATOM 226 CA PRO A 18 18.410 -13.534 -0.219 1.00 0.00 C ATOM 227 C PRO A 18 18.845 -13.348 -1.672 1.00 0.00 C ATOM 228 O PRO A 18 18.965 -14.328 -2.421 1.00 0.00 O ATOM 229 CB PRO A 18 19.575 -13.247 0.727 1.00 0.00 C ATOM 230 CG PRO A 18 20.211 -14.572 0.947 1.00 0.00 C ATOM 231 CD PRO A 18 19.095 -15.583 0.916 1.00 0.00 C ATOM 0 HA PRO A 18 17.560 -12.865 -0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.277 -12.538 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.227 -12.813 1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.949 -14.783 0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.734 -14.599 1.903 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.423 -16.530 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.721 -15.799 1.917 1.00 0.00 H new ATOM 239 N CYS A 19 19.081 -12.105 -2.067 1.00 0.00 N ATOM 240 CA CYS A 19 19.470 -11.803 -3.432 1.00 0.00 C ATOM 241 C CYS A 19 20.796 -12.477 -3.772 1.00 0.00 C ATOM 242 O CYS A 19 21.778 -12.365 -3.029 1.00 0.00 O ATOM 243 CB CYS A 19 19.571 -10.295 -3.650 1.00 0.00 C ATOM 244 SG CYS A 19 19.723 -9.822 -5.385 1.00 0.00 S ATOM 0 H CYS A 19 19.009 -11.290 -1.458 1.00 0.00 H new ATOM 0 HA CYS A 19 18.699 -12.193 -4.097 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.688 -9.816 -3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.433 -9.914 -3.102 1.00 0.00 H new ATOM 249 N GLN A 20 20.816 -13.172 -4.892 1.00 0.00 N ATOM 250 CA GLN A 20 21.990 -13.916 -5.315 1.00 0.00 C ATOM 251 C GLN A 20 22.740 -13.172 -6.421 1.00 0.00 C ATOM 252 O GLN A 20 23.659 -13.716 -7.037 1.00 0.00 O ATOM 253 CB GLN A 20 21.565 -15.304 -5.802 1.00 0.00 C ATOM 254 CG GLN A 20 20.751 -16.089 -4.780 1.00 0.00 C ATOM 255 CD GLN A 20 21.556 -16.485 -3.555 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.765 -16.726 -3.635 1.00 0.00 O ATOM 257 NE2 GLN A 20 20.899 -16.540 -2.417 1.00 0.00 N ATOM 0 H GLN A 20 20.025 -13.238 -5.532 1.00 0.00 H new ATOM 0 HA GLN A 20 22.665 -14.020 -4.465 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.979 -15.195 -6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.455 -15.877 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 20 19.896 -15.489 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.354 -16.987 -5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.900 -16.334 -2.394 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.388 -16.789 -1.557 1.00 0.00 H new ATOM 266 N CYS A 21 22.363 -11.920 -6.650 1.00 0.00 N ATOM 267 CA CYS A 21 22.974 -11.102 -7.701 1.00 0.00 C ATOM 268 C CYS A 21 24.357 -10.576 -7.300 1.00 0.00 C ATOM 269 O CYS A 21 24.975 -9.823 -8.053 1.00 0.00 O ATOM 270 CB CYS A 21 22.069 -9.926 -8.053 1.00 0.00 C ATOM 271 SG CYS A 21 20.514 -10.375 -8.845 1.00 0.00 S ATOM 0 H CYS A 21 21.633 -11.443 -6.121 1.00 0.00 H new ATOM 0 HA CYS A 21 23.100 -11.748 -8.570 1.00 0.00 H new ATOM 0 HB2 CYS A 21 21.848 -9.371 -7.141 1.00 0.00 H new ATOM 0 HB3 CYS A 21 22.614 -9.252 -8.713 1.00 0.00 H new ATOM 276 N GLY A 22 24.830 -10.968 -6.121 1.00 0.00 N ATOM 277 CA GLY A 22 26.135 -10.529 -5.653 1.00 0.00 C ATOM 278 C GLY A 22 27.246 -10.881 -6.625 1.00 0.00 C ATOM 279 O GLY A 22 27.652 -12.043 -6.717 1.00 0.00 O ATOM 0 H GLY A 22 24.332 -11.584 -5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.119 -9.450 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.344 -10.986 -4.686 1.00 0.00 H new ATOM 283 N SER A 23 27.712 -9.874 -7.374 1.00 0.00 N ATOM 284 CA SER A 23 28.774 -10.043 -8.370 1.00 0.00 C ATOM 285 C SER A 23 28.314 -10.969 -9.499 1.00 0.00 C ATOM 286 O SER A 23 29.123 -11.573 -10.206 1.00 0.00 O ATOM 287 CB SER A 23 30.068 -10.563 -7.709 1.00 0.00 C ATOM 288 OG SER A 23 31.159 -10.547 -8.619 1.00 0.00 O ATOM 0 H SER A 23 27.362 -8.918 -7.305 1.00 0.00 H new ATOM 0 HA SER A 23 28.994 -9.069 -8.807 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.307 -9.948 -6.841 1.00 0.00 H new ATOM 0 HB3 SER A 23 29.910 -11.579 -7.346 1.00 0.00 H new ATOM 0 HG SER A 23 30.847 -10.815 -9.509 1.00 0.00 H new ATOM 294 N LYS A 24 27.012 -11.047 -9.678 1.00 0.00 N ATOM 295 CA LYS A 24 26.431 -11.883 -10.700 1.00 0.00 C ATOM 296 C LYS A 24 25.182 -11.204 -11.267 1.00 0.00 C ATOM 297 O LYS A 24 24.385 -11.816 -11.982 1.00 0.00 O ATOM 298 CB LYS A 24 26.076 -13.250 -10.099 1.00 0.00 C ATOM 299 CG LYS A 24 25.695 -14.291 -11.128 1.00 0.00 C ATOM 300 CD LYS A 24 25.281 -15.607 -10.488 1.00 0.00 C ATOM 301 CE LYS A 24 26.442 -16.270 -9.764 1.00 0.00 C ATOM 302 NZ LYS A 24 26.094 -17.636 -9.306 1.00 0.00 N ATOM 0 H LYS A 24 26.331 -10.533 -9.119 1.00 0.00 H new ATOM 0 HA LYS A 24 27.146 -12.030 -11.509 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.927 -13.616 -9.525 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.249 -13.125 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.876 -13.912 -11.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.538 -14.464 -11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 24 24.467 -15.430 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 24 24.898 -16.280 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.305 -16.318 -10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 24 26.732 -15.662 -8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.910 -18.056 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.286 -17.588 -8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 25.842 -18.223 -10.126 1.00 0.00 H new ATOM 316 N CYS A 25 25.042 -9.928 -10.972 1.00 0.00 N ATOM 317 CA CYS A 25 23.868 -9.187 -11.368 1.00 0.00 C ATOM 318 C CYS A 25 23.816 -8.960 -12.867 1.00 0.00 C ATOM 319 O CYS A 25 24.837 -8.706 -13.519 1.00 0.00 O ATOM 320 CB CYS A 25 23.800 -7.854 -10.647 1.00 0.00 C ATOM 321 SG CYS A 25 22.266 -6.953 -10.938 1.00 0.00 S ATOM 0 H CYS A 25 25.732 -9.382 -10.456 1.00 0.00 H new ATOM 0 HA CYS A 25 23.006 -9.792 -11.088 1.00 0.00 H new ATOM 0 HB2 CYS A 25 23.914 -8.023 -9.576 1.00 0.00 H new ATOM 0 HB3 CYS A 25 24.640 -7.236 -10.964 1.00 0.00 H new ATOM 326 N GLN A 26 22.619 -9.058 -13.399 1.00 0.00 N ATOM 327 CA GLN A 26 22.361 -8.843 -14.805 1.00 0.00 C ATOM 328 C GLN A 26 21.072 -8.046 -14.961 1.00 0.00 C ATOM 329 O GLN A 26 20.535 -7.920 -16.063 1.00 0.00 O ATOM 330 CB GLN A 26 22.242 -10.187 -15.537 1.00 0.00 C ATOM 331 CG GLN A 26 23.536 -10.982 -15.599 1.00 0.00 C ATOM 332 CD GLN A 26 23.338 -12.366 -16.175 1.00 0.00 C ATOM 333 OE1 GLN A 26 23.433 -12.569 -17.382 1.00 0.00 O ATOM 334 NE2 GLN A 26 23.052 -13.327 -15.317 1.00 0.00 N ATOM 0 H GLN A 26 21.785 -9.293 -12.860 1.00 0.00 H new ATOM 0 HA GLN A 26 23.189 -8.286 -15.242 1.00 0.00 H new ATOM 0 HB2 GLN A 26 21.482 -10.791 -15.042 1.00 0.00 H new ATOM 0 HB3 GLN A 26 21.892 -10.004 -16.553 1.00 0.00 H new ATOM 0 HG2 GLN A 26 24.263 -10.440 -16.205 1.00 0.00 H new ATOM 0 HG3 GLN A 26 23.956 -11.066 -14.597 1.00 0.00 H new ATOM 0 HE21 GLN A 26 22.982 -13.117 -14.321 1.00 0.00 H new ATOM 0 HE22 GLN A 26 22.901 -14.279 -15.650 1.00 0.00 H new ATOM 343 N CYS A 27 20.582 -7.503 -13.841 1.00 0.00 N ATOM 344 CA CYS A 27 19.344 -6.740 -13.838 1.00 0.00 C ATOM 345 C CYS A 27 19.467 -5.488 -14.673 1.00 0.00 C ATOM 346 O CYS A 27 20.507 -4.819 -14.672 1.00 0.00 O ATOM 347 CB CYS A 27 18.910 -6.380 -12.413 1.00 0.00 C ATOM 348 SG CYS A 27 18.257 -7.768 -11.459 1.00 0.00 S ATOM 0 H CYS A 27 21.030 -7.582 -12.928 1.00 0.00 H new ATOM 0 HA CYS A 27 18.578 -7.376 -14.280 1.00 0.00 H new ATOM 0 HB2 CYS A 27 19.764 -5.959 -11.882 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.150 -5.600 -12.464 1.00 0.00 H new ATOM 353 N GLY A 28 18.416 -5.189 -15.402 1.00 0.00 N ATOM 354 CA GLY A 28 18.402 -4.007 -16.224 1.00 0.00 C ATOM 355 C GLY A 28 18.059 -2.771 -15.427 1.00 0.00 C ATOM 356 O GLY A 28 17.940 -2.823 -14.201 1.00 0.00 O ATOM 0 H GLY A 28 17.564 -5.748 -15.441 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.378 -3.878 -16.691 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.677 -4.133 -17.029 1.00 0.00 H new ATOM 360 N GLU A 29 17.858 -1.666 -16.119 1.00 0.00 N ATOM 361 CA GLU A 29 17.543 -0.394 -15.477 1.00 0.00 C ATOM 362 C GLU A 29 16.085 -0.334 -14.989 1.00 0.00 C ATOM 363 O GLU A 29 15.557 0.736 -14.686 1.00 0.00 O ATOM 364 CB GLU A 29 17.882 0.773 -16.419 1.00 0.00 C ATOM 365 CG GLU A 29 17.312 0.665 -17.832 1.00 0.00 C ATOM 366 CD GLU A 29 15.886 1.147 -17.940 1.00 0.00 C ATOM 367 OE1 GLU A 29 15.672 2.374 -17.979 1.00 0.00 O ATOM 368 OE2 GLU A 29 14.973 0.307 -18.011 1.00 0.00 O ATOM 0 H GLU A 29 17.907 -1.619 -17.137 1.00 0.00 H new ATOM 0 HA GLU A 29 18.163 -0.305 -14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.519 1.697 -15.969 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.966 0.857 -16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.936 1.244 -18.513 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.363 -0.374 -18.158 1.00 0.00 H new ATOM 375 N GLY A 30 15.464 -1.494 -14.887 1.00 0.00 N ATOM 376 CA GLY A 30 14.109 -1.580 -14.409 1.00 0.00 C ATOM 377 C GLY A 30 14.027 -2.351 -13.109 1.00 0.00 C ATOM 378 O GLY A 30 13.093 -3.116 -12.889 1.00 0.00 O ATOM 0 H GLY A 30 15.884 -2.391 -15.132 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.709 -0.577 -14.264 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.487 -2.065 -15.161 1.00 0.00 H new ATOM 382 N CYS A 31 15.025 -2.171 -12.259 1.00 0.00 N ATOM 383 CA CYS A 31 15.064 -2.837 -10.965 1.00 0.00 C ATOM 384 C CYS A 31 15.174 -1.809 -9.848 1.00 0.00 C ATOM 385 O CYS A 31 15.633 -0.685 -10.073 1.00 0.00 O ATOM 386 CB CYS A 31 16.242 -3.819 -10.894 1.00 0.00 C ATOM 387 SG CYS A 31 16.413 -4.659 -9.295 1.00 0.00 S ATOM 0 H CYS A 31 15.825 -1.565 -12.443 1.00 0.00 H new ATOM 0 HA CYS A 31 14.138 -3.399 -10.841 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.123 -4.570 -11.675 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.164 -3.279 -11.109 1.00 0.00 H new ATOM 392 N THR A 32 14.753 -2.189 -8.653 1.00 0.00 N ATOM 393 CA THR A 32 14.804 -1.299 -7.512 1.00 0.00 C ATOM 394 C THR A 32 15.443 -1.987 -6.294 1.00 0.00 C ATOM 395 O THR A 32 15.473 -1.421 -5.201 1.00 0.00 O ATOM 396 CB THR A 32 13.386 -0.771 -7.145 1.00 0.00 C ATOM 397 OG1 THR A 32 13.458 0.128 -6.028 1.00 0.00 O ATOM 398 CG2 THR A 32 12.444 -1.923 -6.812 1.00 0.00 C ATOM 0 H THR A 32 14.371 -3.113 -8.451 1.00 0.00 H new ATOM 0 HA THR A 32 15.427 -0.450 -7.793 1.00 0.00 H new ATOM 0 HB THR A 32 12.995 -0.238 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 14.086 -0.225 -5.364 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.460 -1.527 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.358 -2.584 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.839 -2.482 -5.964 1.00 0.00 H new ATOM 406 N CYS A 33 15.976 -3.193 -6.490 1.00 0.00 N ATOM 407 CA CYS A 33 16.604 -3.920 -5.392 1.00 0.00 C ATOM 408 C CYS A 33 17.986 -3.332 -5.114 1.00 0.00 C ATOM 409 O CYS A 33 18.881 -3.368 -5.967 1.00 0.00 O ATOM 410 CB CYS A 33 16.700 -5.430 -5.709 1.00 0.00 C ATOM 411 SG CYS A 33 17.129 -6.494 -4.282 1.00 0.00 S ATOM 0 H CYS A 33 15.985 -3.680 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 33 15.987 -3.812 -4.500 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.745 -5.762 -6.116 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.447 -5.575 -6.489 1.00 0.00 H new ATOM 416 N ALA A 34 18.151 -2.773 -3.928 1.00 0.00 N ATOM 417 CA ALA A 34 19.414 -2.154 -3.537 1.00 0.00 C ATOM 418 C ALA A 34 20.489 -3.204 -3.280 1.00 0.00 C ATOM 419 O ALA A 34 21.646 -2.873 -3.027 1.00 0.00 O ATOM 420 CB ALA A 34 19.213 -1.282 -2.307 1.00 0.00 C ATOM 0 H ALA A 34 17.425 -2.733 -3.213 1.00 0.00 H new ATOM 0 HA ALA A 34 19.754 -1.527 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.162 -0.826 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.487 -0.500 -2.530 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.846 -1.894 -1.483 1.00 0.00 H new ATOM 426 N ALA A 35 20.102 -4.465 -3.367 1.00 0.00 N ATOM 427 CA ALA A 35 21.013 -5.565 -3.132 1.00 0.00 C ATOM 428 C ALA A 35 21.854 -5.868 -4.360 1.00 0.00 C ATOM 429 O ALA A 35 22.847 -6.591 -4.275 1.00 0.00 O ATOM 430 CB ALA A 35 20.240 -6.800 -2.718 1.00 0.00 C ATOM 0 H ALA A 35 19.152 -4.751 -3.602 1.00 0.00 H new ATOM 0 HA ALA A 35 21.688 -5.271 -2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.934 -7.622 -2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.686 -6.592 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.543 -7.075 -3.510 1.00 0.00 H new ATOM 436 N CYS A 36 21.471 -5.320 -5.494 1.00 0.00 N ATOM 437 CA CYS A 36 22.180 -5.603 -6.723 1.00 0.00 C ATOM 438 C CYS A 36 22.465 -4.350 -7.549 1.00 0.00 C ATOM 439 O CYS A 36 23.490 -4.274 -8.233 1.00 0.00 O ATOM 440 CB CYS A 36 21.391 -6.608 -7.536 1.00 0.00 C ATOM 441 SG CYS A 36 19.647 -6.198 -7.707 1.00 0.00 S ATOM 0 H CYS A 36 20.681 -4.682 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 36 23.151 -6.018 -6.454 1.00 0.00 H new ATOM 0 HB2 CYS A 36 21.835 -6.687 -8.528 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.480 -7.589 -7.069 1.00 0.00 H new ATOM 446 N LYS A 37 21.593 -3.361 -7.474 1.00 0.00 N ATOM 447 CA LYS A 37 21.773 -2.163 -8.266 1.00 0.00 C ATOM 448 C LYS A 37 22.557 -1.143 -7.478 1.00 0.00 C ATOM 449 O LYS A 37 22.105 -0.661 -6.436 1.00 0.00 O ATOM 450 CB LYS A 37 20.433 -1.579 -8.726 1.00 0.00 C ATOM 451 CG LYS A 37 20.584 -0.523 -9.818 1.00 0.00 C ATOM 452 CD LYS A 37 19.239 -0.005 -10.311 1.00 0.00 C ATOM 453 CE LYS A 37 18.493 0.736 -9.219 1.00 0.00 C ATOM 454 NZ LYS A 37 17.282 1.417 -9.740 1.00 0.00 N ATOM 0 H LYS A 37 20.764 -3.364 -6.880 1.00 0.00 H new ATOM 0 HA LYS A 37 22.332 -2.431 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.799 -2.386 -9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.923 -1.138 -7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 37 21.174 0.310 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 37 21.137 -0.947 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.394 0.659 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.634 -0.840 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.206 0.035 -8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 37 19.155 1.472 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.737 1.811 -8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.565 2.185 -10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.694 0.732 -10.257 1.00 0.00 H new ATOM 468 N THR A 38 23.732 -0.832 -7.957 1.00 0.00 N ATOM 469 CA THR A 38 24.610 0.072 -7.268 1.00 0.00 C ATOM 470 C THR A 38 24.732 1.406 -8.010 1.00 0.00 C ATOM 471 O THR A 38 24.350 1.516 -9.176 1.00 0.00 O ATOM 472 CB THR A 38 25.993 -0.565 -7.114 1.00 0.00 C ATOM 473 OG1 THR A 38 25.853 -1.993 -7.101 1.00 0.00 O ATOM 474 CG2 THR A 38 26.623 -0.133 -5.816 1.00 0.00 C ATOM 0 H THR A 38 24.105 -1.197 -8.833 1.00 0.00 H new ATOM 0 HA THR A 38 24.186 0.271 -6.284 1.00 0.00 H new ATOM 0 HB THR A 38 26.623 -0.249 -7.946 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.736 -2.407 -7.004 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.606 -0.593 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 38 26.727 0.952 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.992 -0.445 -4.984 1.00 0.00 H new ATOM 482 N CYS A 39 25.257 2.410 -7.322 1.00 0.00 N ATOM 483 CA CYS A 39 25.439 3.733 -7.885 1.00 0.00 C ATOM 484 C CYS A 39 26.473 4.502 -7.071 1.00 0.00 C ATOM 485 O CYS A 39 26.738 4.158 -5.914 1.00 0.00 O ATOM 486 CB CYS A 39 24.109 4.484 -7.896 1.00 0.00 C ATOM 487 SG CYS A 39 24.217 6.196 -8.447 1.00 0.00 S ATOM 0 H CYS A 39 25.569 2.326 -6.354 1.00 0.00 H new ATOM 0 HA CYS A 39 25.795 3.640 -8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.412 3.952 -8.543 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.688 4.466 -6.891 1.00 0.00 H new ATOM 492 N ASN A 40 27.063 5.526 -7.672 1.00 0.00 N ATOM 493 CA ASN A 40 28.073 6.333 -6.994 1.00 0.00 C ATOM 494 C ASN A 40 27.710 7.806 -6.972 1.00 0.00 C ATOM 495 O ASN A 40 28.400 8.608 -6.339 1.00 0.00 O ATOM 496 CB ASN A 40 29.454 6.145 -7.627 1.00 0.00 C ATOM 497 CG ASN A 40 30.163 4.903 -7.126 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.870 4.945 -6.121 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.981 3.795 -7.814 1.00 0.00 N ATOM 0 H ASN A 40 26.861 5.819 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 40 28.108 5.981 -5.963 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.348 6.086 -8.710 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.069 7.020 -7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.434 2.931 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.386 3.801 -8.643 1.00 0.00 H new ATOM 506 N CYS A 41 26.645 8.177 -7.666 1.00 0.00 N ATOM 507 CA CYS A 41 26.212 9.558 -7.661 1.00 0.00 C ATOM 508 C CYS A 41 25.575 9.918 -6.335 1.00 0.00 C ATOM 509 O CYS A 41 25.101 9.046 -5.595 1.00 0.00 O ATOM 510 CB CYS A 41 25.280 9.854 -8.823 1.00 0.00 C ATOM 511 SG CYS A 41 26.107 9.809 -10.431 1.00 0.00 S ATOM 0 H CYS A 41 26.074 7.548 -8.231 1.00 0.00 H new ATOM 0 HA CYS A 41 27.095 10.184 -7.789 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.466 9.130 -8.820 1.00 0.00 H new ATOM 0 HB3 CYS A 41 24.832 10.837 -8.680 1.00 0.00 H new ATOM 516 N THR A 42 25.560 11.196 -6.040 1.00 0.00 N ATOM 517 CA THR A 42 25.102 11.676 -4.767 1.00 0.00 C ATOM 518 C THR A 42 24.024 12.734 -4.920 1.00 0.00 C ATOM 519 O THR A 42 23.625 13.079 -6.043 1.00 0.00 O ATOM 520 CB THR A 42 26.274 12.285 -4.004 1.00 0.00 C ATOM 521 OG1 THR A 42 26.956 13.206 -4.865 1.00 0.00 O ATOM 522 CG2 THR A 42 27.239 11.213 -3.550 1.00 0.00 C ATOM 0 H THR A 42 25.866 11.930 -6.679 1.00 0.00 H new ATOM 0 HA THR A 42 24.682 10.829 -4.225 1.00 0.00 H new ATOM 0 HB THR A 42 25.893 12.798 -3.121 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.449 13.857 -4.323 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.066 11.673 -3.009 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.722 10.512 -2.895 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.626 10.680 -4.419 1.00 0.00 H new ATOM 530 N SER A 43 23.582 13.273 -3.784 1.00 0.00 N ATOM 531 CA SER A 43 22.562 14.307 -3.744 1.00 0.00 C ATOM 532 C SER A 43 23.107 15.636 -4.273 1.00 0.00 C ATOM 533 O SER A 43 22.385 16.631 -4.342 1.00 0.00 O ATOM 534 CB SER A 43 22.061 14.477 -2.313 1.00 0.00 C ATOM 535 OG SER A 43 21.687 13.224 -1.757 1.00 0.00 O ATOM 0 H SER A 43 23.927 13.000 -2.864 1.00 0.00 H new ATOM 0 HA SER A 43 21.734 14.003 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.840 14.933 -1.702 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.208 15.155 -2.300 1.00 0.00 H new ATOM 0 HG SER A 43 21.370 13.355 -0.839 1.00 0.00 H new ATOM 541 N ASP A 44 24.393 15.640 -4.643 1.00 0.00 N ATOM 542 CA ASP A 44 25.033 16.815 -5.227 1.00 0.00 C ATOM 543 C ASP A 44 24.313 17.223 -6.494 1.00 0.00 C ATOM 544 O ASP A 44 24.342 18.388 -6.894 1.00 0.00 O ATOM 545 CB ASP A 44 26.509 16.539 -5.536 1.00 0.00 C ATOM 546 CG ASP A 44 27.381 16.518 -4.300 1.00 0.00 C ATOM 547 OD1 ASP A 44 27.581 15.428 -3.721 1.00 0.00 O ATOM 548 OD2 ASP A 44 27.876 17.589 -3.901 1.00 0.00 O ATOM 0 H ASP A 44 25.011 14.834 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 44 24.978 17.627 -4.502 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.593 15.581 -6.049 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.879 17.301 -6.221 1.00 0.00 H new ATOM 553 N GLY A 45 23.677 16.251 -7.129 1.00 0.00 N ATOM 554 CA GLY A 45 22.906 16.525 -8.322 1.00 0.00 C ATOM 555 C GLY A 45 23.331 15.672 -9.481 1.00 0.00 C ATOM 556 O GLY A 45 23.441 16.161 -10.607 1.00 0.00 O ATOM 0 H GLY A 45 23.682 15.274 -6.838 1.00 0.00 H new ATOM 0 HA2 GLY A 45 21.849 16.355 -8.116 1.00 0.00 H new ATOM 0 HA3 GLY A 45 23.014 17.576 -8.588 1.00 0.00 H new ATOM 560 N CYS A 46 23.567 14.382 -9.202 1.00 0.00 N ATOM 561 CA CYS A 46 24.022 13.419 -10.205 1.00 0.00 C ATOM 562 C CYS A 46 25.455 13.732 -10.632 1.00 0.00 C ATOM 563 O CYS A 46 25.832 14.891 -10.794 1.00 0.00 O ATOM 564 CB CYS A 46 23.081 13.397 -11.417 1.00 0.00 C ATOM 565 SG CYS A 46 23.452 12.108 -12.622 1.00 0.00 S ATOM 0 H CYS A 46 23.446 13.980 -8.272 1.00 0.00 H new ATOM 0 HA CYS A 46 24.006 12.426 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.058 13.265 -11.065 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.125 14.366 -11.914 1.00 0.00 H new ATOM 570 N LYS A 47 26.258 12.710 -10.792 1.00 0.00 N ATOM 571 CA LYS A 47 27.650 12.909 -11.138 1.00 0.00 C ATOM 572 C LYS A 47 28.013 12.176 -12.424 1.00 0.00 C ATOM 573 O LYS A 47 29.164 12.201 -12.856 1.00 0.00 O ATOM 574 CB LYS A 47 28.560 12.464 -9.978 1.00 0.00 C ATOM 575 CG LYS A 47 28.128 13.014 -8.619 1.00 0.00 C ATOM 576 CD LYS A 47 29.138 12.709 -7.518 1.00 0.00 C ATOM 577 CE LYS A 47 30.399 13.550 -7.664 1.00 0.00 C ATOM 578 NZ LYS A 47 31.318 13.376 -6.511 1.00 0.00 N ATOM 0 H LYS A 47 25.977 11.735 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 47 27.805 13.974 -11.312 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.572 11.375 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.581 12.786 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 47 27.992 14.093 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 47 27.161 12.589 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 47 28.685 12.898 -6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 47 29.400 11.651 -7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.915 13.274 -8.584 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.126 14.601 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.164 13.965 -6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 30.835 13.663 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.600 12.377 -6.439 1.00 0.00 H new ATOM 592 N CYS A 48 27.036 11.522 -13.033 1.00 0.00 N ATOM 593 CA CYS A 48 27.276 10.820 -14.281 1.00 0.00 C ATOM 594 C CYS A 48 26.541 11.519 -15.424 1.00 0.00 C ATOM 595 O CYS A 48 27.084 11.693 -16.515 1.00 0.00 O ATOM 596 CB CYS A 48 26.829 9.356 -14.178 1.00 0.00 C ATOM 597 SG CYS A 48 25.068 9.097 -14.475 1.00 0.00 S ATOM 0 H CYS A 48 26.079 11.463 -12.686 1.00 0.00 H new ATOM 0 HA CYS A 48 28.347 10.835 -14.485 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.398 8.763 -14.894 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.077 8.981 -13.185 1.00 0.00 H new ATOM 602 N GLY A 49 25.314 11.955 -15.153 1.00 0.00 N ATOM 603 CA GLY A 49 24.523 12.619 -16.166 1.00 0.00 C ATOM 604 C GLY A 49 23.214 11.900 -16.474 1.00 0.00 C ATOM 605 O GLY A 49 22.581 12.173 -17.491 1.00 0.00 O ATOM 0 H GLY A 49 24.855 11.858 -14.247 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.303 13.635 -15.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.110 12.699 -17.081 1.00 0.00 H new ATOM 609 N LYS A 50 22.815 10.972 -15.614 1.00 0.00 N ATOM 610 CA LYS A 50 21.549 10.253 -15.798 1.00 0.00 C ATOM 611 C LYS A 50 20.471 10.807 -14.868 1.00 0.00 C ATOM 612 O LYS A 50 19.363 10.266 -14.797 1.00 0.00 O ATOM 613 CB LYS A 50 21.726 8.754 -15.536 1.00 0.00 C ATOM 614 CG LYS A 50 22.719 8.059 -16.458 1.00 0.00 C ATOM 615 CD LYS A 50 22.251 8.036 -17.900 1.00 0.00 C ATOM 616 CE LYS A 50 23.189 7.199 -18.757 1.00 0.00 C ATOM 617 NZ LYS A 50 22.783 7.189 -20.183 1.00 0.00 N ATOM 0 H LYS A 50 23.342 10.696 -14.785 1.00 0.00 H new ATOM 0 HA LYS A 50 21.237 10.397 -16.833 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.050 8.615 -14.505 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.757 8.265 -15.634 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.682 8.567 -16.399 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.876 7.037 -16.114 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.241 7.629 -17.953 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.206 9.053 -18.289 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.203 7.590 -18.672 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.209 6.177 -18.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.450 6.607 -20.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.826 6.792 -20.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.789 8.161 -20.552 1.00 0.00 H new ATOM 631 N GLU A 51 20.816 11.883 -14.151 1.00 0.00 N ATOM 632 CA GLU A 51 19.907 12.551 -13.202 1.00 0.00 C ATOM 633 C GLU A 51 19.681 11.676 -11.952 1.00 0.00 C ATOM 634 O GLU A 51 18.749 11.897 -11.170 1.00 0.00 O ATOM 635 CB GLU A 51 18.561 12.889 -13.876 1.00 0.00 C ATOM 636 CG GLU A 51 17.672 13.825 -13.070 1.00 0.00 C ATOM 637 CD GLU A 51 16.240 13.792 -13.533 1.00 0.00 C ATOM 638 OE1 GLU A 51 15.905 14.512 -14.492 1.00 0.00 O ATOM 639 OE2 GLU A 51 15.441 13.032 -12.950 1.00 0.00 O ATOM 0 H GLU A 51 21.736 12.319 -14.210 1.00 0.00 H new ATOM 0 HA GLU A 51 20.375 13.484 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.759 13.342 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.018 11.962 -14.061 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.717 13.548 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.054 14.843 -13.149 1.00 0.00 H new ATOM 646 N CYS A 52 20.543 10.703 -11.756 1.00 0.00 N ATOM 647 CA CYS A 52 20.426 9.815 -10.622 1.00 0.00 C ATOM 648 C CYS A 52 21.272 10.321 -9.457 1.00 0.00 C ATOM 649 O CYS A 52 22.342 10.886 -9.653 1.00 0.00 O ATOM 650 CB CYS A 52 20.828 8.398 -11.020 1.00 0.00 C ATOM 651 SG CYS A 52 22.495 8.255 -11.667 1.00 0.00 S ATOM 0 H CYS A 52 21.334 10.507 -12.369 1.00 0.00 H new ATOM 0 HA CYS A 52 19.386 9.795 -10.296 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.732 7.748 -10.150 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.127 8.032 -11.770 1.00 0.00 H new ATOM 656 N THR A 53 20.773 10.147 -8.252 1.00 0.00 N ATOM 657 CA THR A 53 21.471 10.610 -7.067 1.00 0.00 C ATOM 658 C THR A 53 21.691 9.464 -6.088 1.00 0.00 C ATOM 659 O THR A 53 21.737 9.661 -4.871 1.00 0.00 O ATOM 660 CB THR A 53 20.665 11.719 -6.380 1.00 0.00 C ATOM 661 OG1 THR A 53 19.313 11.277 -6.179 1.00 0.00 O ATOM 662 CG2 THR A 53 20.661 12.988 -7.219 1.00 0.00 C ATOM 0 H THR A 53 19.882 9.686 -8.065 1.00 0.00 H new ATOM 0 HA THR A 53 22.440 11.002 -7.375 1.00 0.00 H new ATOM 0 HB THR A 53 21.132 11.939 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.799 11.986 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 53 20.083 13.759 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 53 21.685 13.335 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.213 12.780 -8.191 1.00 0.00 H new ATOM 670 N GLY A 54 21.857 8.278 -6.628 1.00 0.00 N ATOM 671 CA GLY A 54 22.014 7.103 -5.808 1.00 0.00 C ATOM 672 C GLY A 54 21.281 5.925 -6.404 1.00 0.00 C ATOM 673 O GLY A 54 20.524 6.100 -7.359 1.00 0.00 O ATOM 0 H GLY A 54 21.887 8.104 -7.633 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.073 6.864 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.636 7.302 -4.805 1.00 0.00 H new ATOM 677 N PRO A 55 21.460 4.707 -5.853 1.00 0.00 N ATOM 678 CA PRO A 55 20.832 3.487 -6.388 1.00 0.00 C ATOM 679 C PRO A 55 19.309 3.587 -6.446 1.00 0.00 C ATOM 680 O PRO A 55 18.675 2.991 -7.311 1.00 0.00 O ATOM 681 CB PRO A 55 21.258 2.389 -5.400 1.00 0.00 C ATOM 682 CG PRO A 55 21.719 3.117 -4.185 1.00 0.00 C ATOM 683 CD PRO A 55 22.279 4.421 -4.667 1.00 0.00 C ATOM 0 HA PRO A 55 21.144 3.296 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.427 1.723 -5.169 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.055 1.772 -5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.893 3.280 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.475 2.542 -3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.188 5.204 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.337 4.340 -4.916 1.00 0.00 H new ATOM 691 N ASP A 56 18.738 4.359 -5.537 1.00 0.00 N ATOM 692 CA ASP A 56 17.291 4.544 -5.477 1.00 0.00 C ATOM 693 C ASP A 56 16.749 5.203 -6.744 1.00 0.00 C ATOM 694 O ASP A 56 15.678 4.853 -7.223 1.00 0.00 O ATOM 695 CB ASP A 56 16.910 5.385 -4.257 1.00 0.00 C ATOM 696 CG ASP A 56 15.449 5.801 -4.271 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.586 4.975 -3.928 1.00 0.00 O ATOM 698 OD2 ASP A 56 15.162 6.971 -4.621 1.00 0.00 O ATOM 0 H ASP A 56 19.256 4.873 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 56 16.842 3.554 -5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.114 4.816 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.538 6.275 -4.223 1.00 0.00 H new ATOM 703 N SER A 57 17.500 6.140 -7.292 1.00 0.00 N ATOM 704 CA SER A 57 17.044 6.877 -8.459 1.00 0.00 C ATOM 705 C SER A 57 17.886 6.563 -9.698 1.00 0.00 C ATOM 706 O SER A 57 17.679 7.150 -10.765 1.00 0.00 O ATOM 707 CB SER A 57 17.079 8.368 -8.158 1.00 0.00 C ATOM 708 OG SER A 57 16.438 8.640 -6.919 1.00 0.00 O ATOM 0 H SER A 57 18.423 6.409 -6.952 1.00 0.00 H new ATOM 0 HA SER A 57 16.022 6.568 -8.679 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.112 8.714 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.585 8.918 -8.959 1.00 0.00 H new ATOM 0 HG SER A 57 16.470 9.603 -6.739 1.00 0.00 H new ATOM 714 N CYS A 58 18.827 5.641 -9.558 1.00 0.00 N ATOM 715 CA CYS A 58 19.689 5.265 -10.666 1.00 0.00 C ATOM 716 C CYS A 58 18.938 4.404 -11.657 1.00 0.00 C ATOM 717 O CYS A 58 18.222 3.472 -11.271 1.00 0.00 O ATOM 718 CB CYS A 58 20.933 4.534 -10.170 1.00 0.00 C ATOM 719 SG CYS A 58 22.092 4.096 -11.483 1.00 0.00 S ATOM 0 H CYS A 58 19.012 5.141 -8.689 1.00 0.00 H new ATOM 0 HA CYS A 58 20.007 6.180 -11.167 1.00 0.00 H new ATOM 0 HB2 CYS A 58 21.445 5.161 -9.440 1.00 0.00 H new ATOM 0 HB3 CYS A 58 20.627 3.626 -9.651 1.00 0.00 H new ATOM 724 N LYS A 59 19.103 4.704 -12.929 1.00 0.00 N ATOM 725 CA LYS A 59 18.397 3.985 -13.961 1.00 0.00 C ATOM 726 C LYS A 59 19.333 3.651 -15.123 1.00 0.00 C ATOM 727 O LYS A 59 18.921 3.626 -16.283 1.00 0.00 O ATOM 728 CB LYS A 59 17.205 4.817 -14.441 1.00 0.00 C ATOM 729 CG LYS A 59 16.042 3.990 -14.976 1.00 0.00 C ATOM 730 CD LYS A 59 14.835 4.863 -15.275 1.00 0.00 C ATOM 731 CE LYS A 59 15.053 5.716 -16.511 1.00 0.00 C ATOM 732 NZ LYS A 59 14.933 4.918 -17.756 1.00 0.00 N ATOM 0 H LYS A 59 19.720 5.441 -13.270 1.00 0.00 H new ATOM 0 HA LYS A 59 18.028 3.044 -13.552 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.849 5.432 -13.615 1.00 0.00 H new ATOM 0 HB3 LYS A 59 17.542 5.498 -15.223 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.350 3.469 -15.883 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.770 3.227 -14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.957 4.233 -15.417 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.630 5.507 -14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.325 6.527 -16.527 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.041 6.175 -16.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.617 5.265 -18.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.128 3.918 -17.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.970 5.011 -18.136 1.00 0.00 H new ATOM 746 N CYS A 60 20.594 3.402 -14.808 1.00 0.00 N ATOM 747 CA CYS A 60 21.561 3.001 -15.828 1.00 0.00 C ATOM 748 C CYS A 60 21.692 1.490 -15.855 1.00 0.00 C ATOM 749 O CYS A 60 21.033 0.781 -15.090 1.00 0.00 O ATOM 750 CB CYS A 60 22.940 3.576 -15.536 1.00 0.00 C ATOM 751 SG CYS A 60 22.937 5.200 -14.795 1.00 0.00 S ATOM 0 H CYS A 60 20.974 3.468 -13.864 1.00 0.00 H new ATOM 0 HA CYS A 60 21.198 3.378 -16.784 1.00 0.00 H new ATOM 0 HB2 CYS A 60 23.470 2.892 -14.874 1.00 0.00 H new ATOM 0 HB3 CYS A 60 23.504 3.619 -16.468 1.00 0.00 H new ATOM 756 N GLY A 61 22.554 1.011 -16.726 1.00 0.00 N ATOM 757 CA GLY A 61 22.853 -0.389 -16.776 1.00 0.00 C ATOM 758 C GLY A 61 24.147 -0.670 -16.050 1.00 0.00 C ATOM 759 O GLY A 61 24.451 -0.025 -15.041 1.00 0.00 O ATOM 0 H GLY A 61 23.057 1.579 -17.408 1.00 0.00 H new ATOM 0 HA2 GLY A 61 22.042 -0.958 -16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.931 -0.715 -17.813 1.00 0.00 H new ATOM 763 N SER A 62 24.921 -1.594 -16.556 1.00 0.00 N ATOM 764 CA SER A 62 26.184 -1.936 -15.938 1.00 0.00 C ATOM 765 C SER A 62 27.330 -1.109 -16.526 1.00 0.00 C ATOM 766 O SER A 62 28.313 -0.808 -15.838 1.00 0.00 O ATOM 767 CB SER A 62 26.453 -3.432 -16.106 1.00 0.00 C ATOM 768 OG SER A 62 26.237 -3.838 -17.454 1.00 0.00 O ATOM 0 H SER A 62 24.702 -2.127 -17.397 1.00 0.00 H new ATOM 0 HA SER A 62 26.124 -1.703 -14.875 1.00 0.00 H new ATOM 0 HB2 SER A 62 27.479 -3.656 -15.814 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.801 -4.000 -15.442 1.00 0.00 H new ATOM 0 HG SER A 62 26.416 -4.798 -17.539 1.00 0.00 H new ATOM 774 N SER A 63 27.188 -0.710 -17.778 1.00 0.00 N ATOM 775 CA SER A 63 28.234 0.024 -18.464 1.00 0.00 C ATOM 776 C SER A 63 28.123 1.535 -18.238 1.00 0.00 C ATOM 777 O SER A 63 27.801 2.290 -19.158 1.00 0.00 O ATOM 778 CB SER A 63 28.213 -0.299 -19.957 1.00 0.00 C ATOM 779 OG SER A 63 28.268 -1.703 -20.171 1.00 0.00 O ATOM 0 H SER A 63 26.355 -0.883 -18.341 1.00 0.00 H new ATOM 0 HA SER A 63 29.188 -0.294 -18.043 1.00 0.00 H new ATOM 0 HB2 SER A 63 27.308 0.107 -20.409 1.00 0.00 H new ATOM 0 HB3 SER A 63 29.058 0.182 -20.450 1.00 0.00 H new ATOM 0 HG SER A 63 28.252 -1.888 -21.133 1.00 0.00 H new ATOM 785 N CYS A 64 28.354 1.965 -17.006 1.00 0.00 N ATOM 786 CA CYS A 64 28.368 3.371 -16.690 1.00 0.00 C ATOM 787 C CYS A 64 29.446 3.667 -15.657 1.00 0.00 C ATOM 788 O CYS A 64 29.820 2.795 -14.870 1.00 0.00 O ATOM 789 CB CYS A 64 27.016 3.822 -16.187 1.00 0.00 C ATOM 790 SG CYS A 64 26.771 5.613 -16.288 1.00 0.00 S ATOM 0 H CYS A 64 28.534 1.351 -16.211 1.00 0.00 H new ATOM 0 HA CYS A 64 28.593 3.926 -17.601 1.00 0.00 H new ATOM 0 HB2 CYS A 64 26.237 3.323 -16.764 1.00 0.00 H new ATOM 0 HB3 CYS A 64 26.898 3.505 -15.151 1.00 0.00 H new ATOM 795 N SER A 65 29.920 4.899 -15.645 1.00 0.00 N ATOM 796 CA SER A 65 31.017 5.304 -14.779 1.00 0.00 C ATOM 797 C SER A 65 30.624 5.350 -13.292 1.00 0.00 C ATOM 798 O SER A 65 31.482 5.215 -12.415 1.00 0.00 O ATOM 799 CB SER A 65 31.549 6.656 -15.235 1.00 0.00 C ATOM 800 OG SER A 65 31.878 6.616 -16.616 1.00 0.00 O ATOM 0 H SER A 65 29.557 5.648 -16.234 1.00 0.00 H new ATOM 0 HA SER A 65 31.797 4.548 -14.864 1.00 0.00 H new ATOM 0 HB2 SER A 65 30.801 7.428 -15.055 1.00 0.00 H new ATOM 0 HB3 SER A 65 32.430 6.923 -14.652 1.00 0.00 H new ATOM 0 HG SER A 65 32.217 7.491 -16.897 1.00 0.00 H new ATOM 806 N CYS A 66 29.340 5.522 -13.005 1.00 0.00 N ATOM 807 CA CYS A 66 28.888 5.603 -11.617 1.00 0.00 C ATOM 808 C CYS A 66 28.625 4.205 -11.036 1.00 0.00 C ATOM 809 O CYS A 66 28.117 4.068 -9.929 1.00 0.00 O ATOM 810 CB CYS A 66 27.628 6.473 -11.510 1.00 0.00 C ATOM 811 SG CYS A 66 26.138 5.714 -12.178 1.00 0.00 S ATOM 0 H CYS A 66 28.600 5.607 -13.702 1.00 0.00 H new ATOM 0 HA CYS A 66 29.683 6.067 -11.033 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.458 6.716 -10.461 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.806 7.414 -12.031 1.00 0.00 H new ATOM 816 N LYS A 67 28.989 3.173 -11.786 1.00 0.00 N ATOM 817 CA LYS A 67 28.784 1.792 -11.343 1.00 0.00 C ATOM 818 C LYS A 67 30.077 1.190 -10.802 1.00 0.00 C ATOM 819 O LYS A 67 30.278 1.260 -9.558 1.00 0.00 O ATOM 820 CB LYS A 67 28.242 0.931 -12.492 1.00 0.00 C ATOM 821 CG LYS A 67 26.907 1.408 -13.048 1.00 0.00 C ATOM 822 CD LYS A 67 25.827 1.396 -11.980 1.00 0.00 C ATOM 823 CE LYS A 67 24.512 1.943 -12.506 1.00 0.00 C ATOM 824 NZ LYS A 67 24.603 3.388 -12.842 1.00 0.00 N ATOM 0 H LYS A 67 29.427 3.261 -12.703 1.00 0.00 H new ATOM 0 HA LYS A 67 28.050 1.807 -10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.975 0.916 -13.298 1.00 0.00 H new ATOM 0 HB3 LYS A 67 28.132 -0.096 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 67 27.016 2.417 -13.446 1.00 0.00 H new ATOM 0 HG3 LYS A 67 26.607 0.768 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.680 0.377 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.153 1.990 -11.126 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.215 1.383 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.733 1.793 -11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.648 3.799 -12.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.171 3.877 -12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 25.053 3.500 -13.773 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.226 -7.205 -9.939 1.00 0.00 CD HETATM 840 CD CD A 102 18.182 -7.813 -6.300 1.00 0.00 CD HETATM 841 CD CD A 103 20.114 -7.851 -9.698 1.00 0.00 CD HETATM 842 CD CD A 104 23.731 6.054 -10.918 1.00 0.00 CD HETATM 843 CD CD A 105 25.250 6.402 -14.389 1.00 0.00 CD HETATM 844 CD CD A 106 24.269 9.809 -12.291 1.00 0.00 CD