USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=23 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 42 THR OG1 : rot 180:sc= -0.0109 USER MOD Set 1.2: A 47 LYS NZ :NH3+ -109:sc= 0.326 (180deg=0.0549) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0231 (180deg=0) 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+ 174:sc= 0 (180deg=-0.029) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 1.5 (180deg=1.49) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 64:sc= 1.23 USER MOD Single : A 20 GLN : amide:sc= 0.214 K(o=0.21,f=-0.59) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc=-0.00799 (180deg=-0.151) USER MOD Single : A 26 GLN : amide:sc=-0.00112 K(o=-0.0011,f=-0.8) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= 1.13 (180deg=0.639) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 40 ASN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 1.37 (180deg=0.684) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.787 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.0624 (180deg=-0.335) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0476 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+ 148:sc= 1.84 (180deg=-0.806!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.221 15.166 -25.764 1.00 0.00 N ATOM 2 CA GLY A 1 -16.874 15.720 -25.447 1.00 0.00 C ATOM 3 C GLY A 1 -16.410 15.347 -24.049 1.00 0.00 C ATOM 4 O GLY A 1 -16.799 14.302 -23.513 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.245 14.860 -26.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.416 14.352 -25.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.943 15.899 -25.610 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.152 15.353 -26.177 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.899 16.806 -25.541 1.00 0.00 H new ATOM 7 N SER A 2 -15.597 16.209 -23.446 1.00 0.00 N ATOM 8 CA SER A 2 -15.063 15.962 -22.113 1.00 0.00 C ATOM 9 C SER A 2 -16.080 16.330 -21.029 1.00 0.00 C ATOM 10 O SER A 2 -15.825 16.155 -19.832 1.00 0.00 O ATOM 11 CB SER A 2 -13.768 16.751 -21.918 1.00 0.00 C ATOM 12 OG SER A 2 -12.839 16.451 -22.948 1.00 0.00 O ATOM 0 H SER A 2 -15.293 17.089 -23.863 1.00 0.00 H new ATOM 0 HA SER A 2 -14.852 14.897 -22.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.984 17.819 -21.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.333 16.512 -20.948 1.00 0.00 H new ATOM 0 HG SER A 2 -12.017 16.966 -22.808 1.00 0.00 H new ATOM 18 N GLY A 3 -17.228 16.841 -21.452 1.00 0.00 N ATOM 19 CA GLY A 3 -18.267 17.207 -20.517 1.00 0.00 C ATOM 20 C GLY A 3 -18.927 15.997 -19.891 1.00 0.00 C ATOM 21 O GLY A 3 -19.390 16.063 -18.748 1.00 0.00 O ATOM 0 H GLY A 3 -17.457 17.008 -22.432 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -17.843 17.834 -19.732 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.020 17.805 -21.030 1.00 0.00 H new ATOM 25 N LYS A 4 -18.977 14.894 -20.653 1.00 0.00 N ATOM 26 CA LYS A 4 -19.566 13.624 -20.197 1.00 0.00 C ATOM 27 C LYS A 4 -21.072 13.796 -19.925 1.00 0.00 C ATOM 28 O LYS A 4 -21.683 13.048 -19.154 1.00 0.00 O ATOM 29 CB LYS A 4 -18.822 13.101 -18.946 1.00 0.00 C ATOM 30 CG LYS A 4 -19.144 11.657 -18.566 1.00 0.00 C ATOM 31 CD LYS A 4 -18.803 10.691 -19.693 1.00 0.00 C ATOM 32 CE LYS A 4 -19.063 9.248 -19.288 1.00 0.00 C ATOM 33 NZ LYS A 4 -18.823 8.307 -20.411 1.00 0.00 N ATOM 0 H LYS A 4 -18.610 14.857 -21.604 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.453 12.881 -20.986 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.749 13.186 -19.117 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.063 13.746 -18.101 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -18.587 11.383 -17.670 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.203 11.572 -18.321 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.396 10.935 -20.575 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.756 10.809 -19.970 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.419 8.984 -18.449 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.092 9.147 -18.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -19.011 7.334 -20.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.456 8.542 -21.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.834 8.384 -20.724 1.00 0.00 H new ATOM 47 N GLY A 5 -21.661 14.760 -20.594 1.00 0.00 N ATOM 48 CA GLY A 5 -23.063 15.039 -20.434 1.00 0.00 C ATOM 49 C GLY A 5 -23.332 16.513 -20.551 1.00 0.00 C ATOM 50 O GLY A 5 -24.179 16.944 -21.335 1.00 0.00 O ATOM 0 H GLY A 5 -21.183 15.367 -21.259 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -23.634 14.500 -21.190 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -23.401 14.679 -19.462 1.00 0.00 H new ATOM 54 N LYS A 6 -22.596 17.291 -19.784 1.00 0.00 N ATOM 55 CA LYS A 6 -22.729 18.731 -19.814 1.00 0.00 C ATOM 56 C LYS A 6 -21.431 19.377 -20.229 1.00 0.00 C ATOM 57 O LYS A 6 -20.423 19.290 -19.511 1.00 0.00 O ATOM 58 CB LYS A 6 -23.154 19.270 -18.455 1.00 0.00 C ATOM 59 CG LYS A 6 -24.543 18.855 -18.032 1.00 0.00 C ATOM 60 CD LYS A 6 -24.933 19.527 -16.735 1.00 0.00 C ATOM 61 CE LYS A 6 -26.369 19.228 -16.369 1.00 0.00 C ATOM 62 NZ LYS A 6 -26.580 17.795 -16.055 1.00 0.00 N ATOM 0 H LYS A 6 -21.895 16.946 -19.128 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.500 18.975 -20.545 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -22.441 18.932 -17.703 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.103 20.359 -18.476 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -25.259 19.116 -18.812 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -24.583 17.772 -17.912 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -24.274 19.188 -15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -24.796 20.604 -16.826 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.656 19.833 -15.509 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.020 19.517 -17.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -27.552 17.654 -15.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -26.429 17.226 -16.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.907 17.498 -15.320 1.00 0.00 H new ATOM 76 N GLY A 7 -21.449 20.012 -21.379 1.00 0.00 N ATOM 77 CA GLY A 7 -20.278 20.696 -21.866 1.00 0.00 C ATOM 78 C GLY A 7 -20.156 22.064 -21.249 1.00 0.00 C ATOM 79 O GLY A 7 -21.174 22.714 -20.987 1.00 0.00 O ATOM 0 H GLY A 7 -22.262 20.068 -21.992 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.388 20.109 -21.637 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.330 20.786 -22.951 1.00 0.00 H new ATOM 83 N GLU A 8 -18.919 22.503 -21.015 1.00 0.00 N ATOM 84 CA GLU A 8 -18.639 23.799 -20.384 1.00 0.00 C ATOM 85 C GLU A 8 -19.172 23.827 -18.951 1.00 0.00 C ATOM 86 O GLU A 8 -20.362 24.034 -18.719 1.00 0.00 O ATOM 87 CB GLU A 8 -19.235 24.957 -21.197 1.00 0.00 C ATOM 88 CG GLU A 8 -18.777 24.993 -22.645 1.00 0.00 C ATOM 89 CD GLU A 8 -19.441 26.095 -23.432 1.00 0.00 C ATOM 90 OE1 GLU A 8 -20.648 25.969 -23.739 1.00 0.00 O ATOM 91 OE2 GLU A 8 -18.760 27.091 -23.759 1.00 0.00 O ATOM 0 H GLU A 8 -18.082 21.973 -21.256 1.00 0.00 H new ATOM 0 HA GLU A 8 -17.557 23.927 -20.358 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -20.322 24.884 -21.172 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -18.968 25.899 -20.718 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.696 25.128 -22.678 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.993 24.034 -23.115 1.00 0.00 H new ATOM 98 N LYS A 9 -18.282 23.618 -17.993 1.00 0.00 N ATOM 99 CA LYS A 9 -18.668 23.585 -16.582 1.00 0.00 C ATOM 100 C LYS A 9 -18.913 24.990 -16.038 1.00 0.00 C ATOM 101 O LYS A 9 -19.283 25.164 -14.875 1.00 0.00 O ATOM 102 CB LYS A 9 -17.599 22.874 -15.745 1.00 0.00 C ATOM 103 CG LYS A 9 -17.266 21.468 -16.227 1.00 0.00 C ATOM 104 CD LYS A 9 -18.515 20.612 -16.366 1.00 0.00 C ATOM 105 CE LYS A 9 -18.165 19.185 -16.744 1.00 0.00 C ATOM 106 NZ LYS A 9 -19.376 18.370 -17.021 1.00 0.00 N ATOM 0 H LYS A 9 -17.287 23.468 -18.162 1.00 0.00 H new ATOM 0 HA LYS A 9 -19.601 23.027 -16.510 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -16.689 23.474 -15.752 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -17.938 22.821 -14.711 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -16.754 21.524 -17.188 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.577 20.996 -15.526 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.068 20.617 -15.427 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.170 21.041 -17.124 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -17.522 19.190 -17.624 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -17.595 18.725 -15.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.091 17.412 -17.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.961 18.315 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.924 18.812 -17.786 1.00 0.00 H new ATOM 120 N CYS A 10 -18.700 25.981 -16.877 1.00 0.00 N ATOM 121 CA CYS A 10 -18.916 27.360 -16.502 1.00 0.00 C ATOM 122 C CYS A 10 -20.385 27.698 -16.570 1.00 0.00 C ATOM 123 O CYS A 10 -21.116 27.159 -17.397 1.00 0.00 O ATOM 124 CB CYS A 10 -18.151 28.276 -17.430 1.00 0.00 C ATOM 125 SG CYS A 10 -16.406 27.899 -17.541 1.00 0.00 S ATOM 0 H CYS A 10 -18.373 25.853 -17.835 1.00 0.00 H new ATOM 0 HA CYS A 10 -18.562 27.498 -15.480 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.590 28.217 -18.426 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.270 29.305 -17.089 1.00 0.00 H new ATOM 130 N THR A 11 -20.808 28.595 -15.721 1.00 0.00 N ATOM 131 CA THR A 11 -22.190 29.001 -15.676 1.00 0.00 C ATOM 132 C THR A 11 -22.444 30.107 -16.696 1.00 0.00 C ATOM 133 O THR A 11 -21.500 30.639 -17.292 1.00 0.00 O ATOM 134 CB THR A 11 -22.571 29.485 -14.255 1.00 0.00 C ATOM 135 OG1 THR A 11 -23.916 29.975 -14.221 1.00 0.00 O ATOM 136 CG2 THR A 11 -21.617 30.567 -13.780 1.00 0.00 C ATOM 0 H THR A 11 -20.208 29.065 -15.043 1.00 0.00 H new ATOM 0 HA THR A 11 -22.812 28.141 -15.924 1.00 0.00 H new ATOM 0 HB THR A 11 -22.496 28.629 -13.585 1.00 0.00 H new ATOM 0 HG1 THR A 11 -24.133 30.273 -13.313 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.904 30.892 -12.780 1.00 0.00 H new ATOM 0 HG22 THR A 11 -20.602 30.172 -13.756 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.660 31.415 -14.463 1.00 0.00 H new ATOM 144 N SER A 12 -23.707 30.447 -16.884 1.00 0.00 N ATOM 145 CA SER A 12 -24.121 31.483 -17.810 1.00 0.00 C ATOM 146 C SER A 12 -23.381 32.799 -17.537 1.00 0.00 C ATOM 147 O SER A 12 -23.092 33.562 -18.455 1.00 0.00 O ATOM 148 CB SER A 12 -25.621 31.692 -17.678 1.00 0.00 C ATOM 149 OG SER A 12 -26.314 30.463 -17.837 1.00 0.00 O ATOM 0 H SER A 12 -24.483 30.005 -16.391 1.00 0.00 H new ATOM 0 HA SER A 12 -23.875 31.168 -18.824 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.849 32.120 -16.702 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.961 32.407 -18.427 1.00 0.00 H new ATOM 0 HG SER A 12 -27.278 30.617 -17.747 1.00 0.00 H new ATOM 155 N ALA A 13 -23.060 33.035 -16.270 1.00 0.00 N ATOM 156 CA ALA A 13 -22.359 34.242 -15.859 1.00 0.00 C ATOM 157 C ALA A 13 -20.973 34.336 -16.513 1.00 0.00 C ATOM 158 O ALA A 13 -20.591 35.385 -17.028 1.00 0.00 O ATOM 159 CB ALA A 13 -22.239 34.281 -14.344 1.00 0.00 C ATOM 0 H ALA A 13 -23.278 32.398 -15.504 1.00 0.00 H new ATOM 0 HA ALA A 13 -22.938 35.103 -16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -21.713 35.187 -14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.234 34.275 -13.900 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.683 33.409 -14.000 1.00 0.00 H new ATOM 165 N CYS A 14 -20.244 33.232 -16.503 1.00 0.00 N ATOM 166 CA CYS A 14 -18.903 33.178 -17.089 1.00 0.00 C ATOM 167 C CYS A 14 -18.993 33.138 -18.610 1.00 0.00 C ATOM 168 O CYS A 14 -18.072 33.545 -19.319 1.00 0.00 O ATOM 169 CB CYS A 14 -18.170 31.935 -16.584 1.00 0.00 C ATOM 170 SG CYS A 14 -16.404 31.863 -16.986 1.00 0.00 S ATOM 0 H CYS A 14 -20.556 32.352 -16.093 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.352 34.070 -16.792 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.282 31.882 -15.501 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.657 31.052 -16.999 1.00 0.00 H new ATOM 175 N ARG A 15 -20.121 32.655 -19.098 1.00 0.00 N ATOM 176 CA ARG A 15 -20.359 32.523 -20.530 1.00 0.00 C ATOM 177 C ARG A 15 -20.877 33.828 -21.141 1.00 0.00 C ATOM 178 O ARG A 15 -21.216 33.876 -22.326 1.00 0.00 O ATOM 179 CB ARG A 15 -21.350 31.390 -20.792 1.00 0.00 C ATOM 180 CG ARG A 15 -20.845 30.021 -20.364 1.00 0.00 C ATOM 181 CD ARG A 15 -21.940 28.971 -20.449 1.00 0.00 C ATOM 182 NE ARG A 15 -22.513 28.871 -21.791 1.00 0.00 N ATOM 183 CZ ARG A 15 -23.529 28.068 -22.113 1.00 0.00 C ATOM 184 NH1 ARG A 15 -24.084 27.292 -21.190 1.00 0.00 N ATOM 185 NH2 ARG A 15 -23.996 28.054 -23.353 1.00 0.00 N ATOM 0 H ARG A 15 -20.899 32.343 -18.517 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.407 32.290 -21.006 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -22.280 31.605 -20.266 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -21.585 31.364 -21.856 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.008 29.727 -20.997 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.469 30.074 -19.342 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.534 28.002 -20.157 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -22.729 29.214 -19.737 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.111 29.451 -22.527 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -23.734 27.309 -20.232 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -24.860 26.679 -21.439 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.579 28.657 -24.062 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -24.773 27.440 -23.599 1.00 0.00 H new ATOM 199 N SER A 16 -20.933 34.877 -20.340 1.00 0.00 N ATOM 200 CA SER A 16 -21.401 36.165 -20.811 1.00 0.00 C ATOM 201 C SER A 16 -20.238 37.139 -20.963 1.00 0.00 C ATOM 202 O SER A 16 -19.154 36.913 -20.423 1.00 0.00 O ATOM 203 CB SER A 16 -22.436 36.735 -19.842 1.00 0.00 C ATOM 204 OG SER A 16 -23.543 35.854 -19.699 1.00 0.00 O ATOM 0 H SER A 16 -20.659 34.860 -19.358 1.00 0.00 H new ATOM 0 HA SER A 16 -21.865 36.025 -21.787 1.00 0.00 H new ATOM 0 HB2 SER A 16 -21.974 36.904 -18.869 1.00 0.00 H new ATOM 0 HB3 SER A 16 -22.782 37.703 -20.203 1.00 0.00 H new ATOM 0 HG SER A 16 -23.241 35.011 -19.300 1.00 0.00 H new ATOM 210 N GLU A 17 -20.466 38.213 -21.707 1.00 0.00 N ATOM 211 CA GLU A 17 -19.458 39.240 -21.903 1.00 0.00 C ATOM 212 C GLU A 17 -20.028 40.614 -21.546 1.00 0.00 C ATOM 213 O GLU A 17 -21.003 41.068 -22.156 1.00 0.00 O ATOM 214 CB GLU A 17 -18.955 39.228 -23.344 1.00 0.00 C ATOM 215 CG GLU A 17 -18.263 37.936 -23.737 1.00 0.00 C ATOM 216 CD GLU A 17 -17.841 37.925 -25.181 1.00 0.00 C ATOM 217 OE1 GLU A 17 -16.766 38.469 -25.494 1.00 0.00 O ATOM 218 OE2 GLU A 17 -18.580 37.363 -26.016 1.00 0.00 O ATOM 0 H GLU A 17 -21.348 38.394 -22.187 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.615 39.031 -21.245 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -19.797 39.398 -24.015 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.263 40.058 -23.485 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.387 37.790 -23.105 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.934 37.097 -23.551 1.00 0.00 H new ATOM 225 N PRO A 18 -19.450 41.287 -20.534 1.00 0.00 N ATOM 226 CA PRO A 18 -18.309 40.774 -19.784 1.00 0.00 C ATOM 227 C PRO A 18 -18.705 39.659 -18.829 1.00 0.00 C ATOM 228 O PRO A 18 -19.890 39.320 -18.702 1.00 0.00 O ATOM 229 CB PRO A 18 -17.798 41.980 -18.987 1.00 0.00 C ATOM 230 CG PRO A 18 -18.628 43.141 -19.412 1.00 0.00 C ATOM 231 CD PRO A 18 -19.877 42.587 -20.037 1.00 0.00 C ATOM 0 HA PRO A 18 -17.561 40.347 -20.452 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.892 41.806 -17.915 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.742 42.161 -19.189 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.872 43.773 -18.558 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.085 43.763 -20.123 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.685 42.495 -19.311 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.243 43.226 -20.841 1.00 0.00 H new ATOM 239 N CYS A 19 -17.726 39.121 -18.149 1.00 0.00 N ATOM 240 CA CYS A 19 -17.937 38.011 -17.252 1.00 0.00 C ATOM 241 C CYS A 19 -18.721 38.452 -16.022 1.00 0.00 C ATOM 242 O CYS A 19 -18.455 39.510 -15.447 1.00 0.00 O ATOM 243 CB CYS A 19 -16.599 37.409 -16.853 1.00 0.00 C ATOM 244 SG CYS A 19 -16.728 35.833 -16.002 1.00 0.00 S ATOM 0 H CYS A 19 -16.758 39.439 -18.201 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.524 37.250 -17.766 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.991 37.278 -17.748 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.073 38.115 -16.210 1.00 0.00 H new ATOM 249 N GLN A 20 -19.688 37.641 -15.624 1.00 0.00 N ATOM 250 CA GLN A 20 -20.551 37.972 -14.498 1.00 0.00 C ATOM 251 C GLN A 20 -20.312 37.039 -13.319 1.00 0.00 C ATOM 252 O GLN A 20 -21.034 37.085 -12.325 1.00 0.00 O ATOM 253 CB GLN A 20 -22.011 37.898 -14.928 1.00 0.00 C ATOM 254 CG GLN A 20 -22.316 38.716 -16.163 1.00 0.00 C ATOM 255 CD GLN A 20 -22.094 40.200 -15.950 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.283 40.719 -14.850 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.672 40.883 -16.987 1.00 0.00 N ATOM 0 H GLN A 20 -19.897 36.745 -16.065 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.313 38.986 -14.178 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.274 36.857 -15.117 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.641 38.243 -14.108 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.688 38.373 -16.985 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.351 38.546 -16.460 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.528 40.415 -17.882 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.488 41.882 -16.899 1.00 0.00 H new ATOM 266 N CYS A 21 -19.300 36.194 -13.426 1.00 0.00 N ATOM 267 CA CYS A 21 -18.982 35.255 -12.350 1.00 0.00 C ATOM 268 C CYS A 21 -18.301 35.955 -11.174 1.00 0.00 C ATOM 269 O CYS A 21 -18.159 35.378 -10.098 1.00 0.00 O ATOM 270 CB CYS A 21 -18.110 34.111 -12.857 1.00 0.00 C ATOM 271 SG CYS A 21 -19.017 32.723 -13.560 1.00 0.00 S ATOM 0 H CYS A 21 -18.686 36.135 -14.238 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.927 34.842 -11.997 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.427 34.501 -13.612 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.498 33.746 -12.032 1.00 0.00 H new ATOM 276 N GLY A 22 -17.897 37.200 -11.376 1.00 0.00 N ATOM 277 CA GLY A 22 -17.244 37.951 -10.321 1.00 0.00 C ATOM 278 C GLY A 22 -18.234 38.476 -9.303 1.00 0.00 C ATOM 279 O GLY A 22 -18.481 39.680 -9.224 1.00 0.00 O ATOM 0 H GLY A 22 -18.010 37.706 -12.254 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.513 37.315 -9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -16.695 38.786 -10.757 1.00 0.00 H new ATOM 283 N SER A 23 -18.812 37.565 -8.542 1.00 0.00 N ATOM 284 CA SER A 23 -19.782 37.894 -7.517 1.00 0.00 C ATOM 285 C SER A 23 -20.136 36.629 -6.741 1.00 0.00 C ATOM 286 O SER A 23 -19.891 36.531 -5.537 1.00 0.00 O ATOM 287 CB SER A 23 -21.040 38.507 -8.154 1.00 0.00 C ATOM 288 OG SER A 23 -21.932 39.004 -7.175 1.00 0.00 O ATOM 0 H SER A 23 -18.619 36.567 -8.620 1.00 0.00 H new ATOM 0 HA SER A 23 -19.357 38.628 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.751 39.315 -8.827 1.00 0.00 H new ATOM 0 HB3 SER A 23 -21.546 37.754 -8.759 1.00 0.00 H new ATOM 0 HG SER A 23 -22.719 39.388 -7.615 1.00 0.00 H new ATOM 294 N LYS A 24 -20.694 35.658 -7.444 1.00 0.00 N ATOM 295 CA LYS A 24 -21.039 34.376 -6.846 1.00 0.00 C ATOM 296 C LYS A 24 -20.201 33.280 -7.471 1.00 0.00 C ATOM 297 O LYS A 24 -19.633 32.447 -6.769 1.00 0.00 O ATOM 298 CB LYS A 24 -22.523 34.052 -7.039 1.00 0.00 C ATOM 299 CG LYS A 24 -23.472 35.015 -6.353 1.00 0.00 C ATOM 300 CD LYS A 24 -24.910 34.541 -6.484 1.00 0.00 C ATOM 301 CE LYS A 24 -25.881 35.495 -5.812 1.00 0.00 C ATOM 302 NZ LYS A 24 -25.885 36.830 -6.458 1.00 0.00 N ATOM 0 H LYS A 24 -20.920 35.733 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.837 34.438 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -22.744 34.043 -8.106 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.714 33.046 -6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -23.208 35.104 -5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -23.370 36.008 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -25.166 34.445 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -25.008 33.550 -6.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -26.885 35.073 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -25.615 35.602 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -26.694 37.382 -6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -25.001 37.329 -6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -25.962 36.717 -7.489 1.00 0.00 H new ATOM 316 N CYS A 25 -20.127 33.312 -8.805 1.00 0.00 N ATOM 317 CA CYS A 25 -19.376 32.350 -9.589 1.00 0.00 C ATOM 318 C CYS A 25 -19.884 30.920 -9.402 1.00 0.00 C ATOM 319 O CYS A 25 -19.567 30.250 -8.422 1.00 0.00 O ATOM 320 CB CYS A 25 -17.894 32.428 -9.271 1.00 0.00 C ATOM 321 SG CYS A 25 -16.891 31.426 -10.359 1.00 0.00 S ATOM 0 H CYS A 25 -20.596 34.020 -9.370 1.00 0.00 H new ATOM 0 HA CYS A 25 -19.528 32.615 -10.635 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -17.568 33.466 -9.339 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -17.732 32.110 -8.241 1.00 0.00 H new ATOM 326 N GLN A 26 -20.665 30.453 -10.352 1.00 0.00 N ATOM 327 CA GLN A 26 -21.188 29.100 -10.297 1.00 0.00 C ATOM 328 C GLN A 26 -20.372 28.181 -11.206 1.00 0.00 C ATOM 329 O GLN A 26 -20.857 27.144 -11.661 1.00 0.00 O ATOM 330 CB GLN A 26 -22.669 29.075 -10.689 1.00 0.00 C ATOM 331 CG GLN A 26 -23.553 29.957 -9.817 1.00 0.00 C ATOM 332 CD GLN A 26 -25.027 29.810 -10.146 1.00 0.00 C ATOM 333 OE1 GLN A 26 -25.478 28.744 -10.567 1.00 0.00 O ATOM 334 NE2 GLN A 26 -25.787 30.869 -9.951 1.00 0.00 N ATOM 0 H GLN A 26 -20.953 30.987 -11.172 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.104 28.737 -9.273 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.765 29.394 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.032 28.048 -10.636 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.391 29.705 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -23.258 30.999 -9.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -25.376 31.734 -9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -26.786 30.823 -10.150 1.00 0.00 H new ATOM 343 N CYS A 27 -19.130 28.579 -11.467 1.00 0.00 N ATOM 344 CA CYS A 27 -18.214 27.791 -12.290 1.00 0.00 C ATOM 345 C CYS A 27 -17.901 26.453 -11.663 1.00 0.00 C ATOM 346 O CYS A 27 -17.887 26.307 -10.433 1.00 0.00 O ATOM 347 CB CYS A 27 -16.896 28.531 -12.503 1.00 0.00 C ATOM 348 SG CYS A 27 -16.817 29.543 -13.985 1.00 0.00 S ATOM 0 H CYS A 27 -18.731 29.450 -11.117 1.00 0.00 H new ATOM 0 HA CYS A 27 -18.719 27.634 -13.243 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -16.711 29.167 -11.638 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -16.089 27.799 -12.539 1.00 0.00 H new ATOM 353 N GLY A 28 -17.673 25.477 -12.510 1.00 0.00 N ATOM 354 CA GLY A 28 -17.216 24.199 -12.051 1.00 0.00 C ATOM 355 C GLY A 28 -15.715 24.214 -11.913 1.00 0.00 C ATOM 356 O GLY A 28 -15.052 25.094 -12.472 1.00 0.00 O ATOM 0 H GLY A 28 -17.798 25.549 -13.520 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -17.676 23.961 -11.092 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.518 23.421 -12.752 1.00 0.00 H new ATOM 360 N GLU A 29 -15.168 23.262 -11.193 1.00 0.00 N ATOM 361 CA GLU A 29 -13.739 23.226 -10.973 1.00 0.00 C ATOM 362 C GLU A 29 -13.022 22.847 -12.259 1.00 0.00 C ATOM 363 O GLU A 29 -13.187 21.736 -12.778 1.00 0.00 O ATOM 364 CB GLU A 29 -13.383 22.257 -9.844 1.00 0.00 C ATOM 365 CG GLU A 29 -11.923 22.322 -9.423 1.00 0.00 C ATOM 366 CD GLU A 29 -11.618 21.438 -8.237 1.00 0.00 C ATOM 367 OE1 GLU A 29 -11.316 20.246 -8.443 1.00 0.00 O ATOM 368 OE2 GLU A 29 -11.668 21.936 -7.089 1.00 0.00 O ATOM 0 H GLU A 29 -15.688 22.504 -10.751 1.00 0.00 H new ATOM 0 HA GLU A 29 -13.410 24.221 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.011 22.473 -8.980 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -13.616 21.241 -10.162 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.294 22.026 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.665 23.352 -9.179 1.00 0.00 H new ATOM 375 N GLY A 30 -12.255 23.780 -12.781 1.00 0.00 N ATOM 376 CA GLY A 30 -11.537 23.548 -14.003 1.00 0.00 C ATOM 377 C GLY A 30 -11.686 24.690 -14.980 1.00 0.00 C ATOM 378 O GLY A 30 -11.551 24.501 -16.190 1.00 0.00 O ATOM 0 H GLY A 30 -12.116 24.705 -12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.481 23.400 -13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.897 22.628 -14.464 1.00 0.00 H new ATOM 382 N CYS A 31 -11.973 25.880 -14.469 1.00 0.00 N ATOM 383 CA CYS A 31 -12.104 27.038 -15.314 1.00 0.00 C ATOM 384 C CYS A 31 -10.768 27.741 -15.426 1.00 0.00 C ATOM 385 O CYS A 31 -9.972 27.746 -14.478 1.00 0.00 O ATOM 386 CB CYS A 31 -13.169 28.000 -14.779 1.00 0.00 C ATOM 387 SG CYS A 31 -13.452 29.447 -15.836 1.00 0.00 S ATOM 0 H CYS A 31 -12.117 26.059 -13.475 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.423 26.708 -16.303 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.108 27.458 -14.663 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.872 28.340 -13.787 1.00 0.00 H new ATOM 392 N THR A 32 -10.519 28.319 -16.573 1.00 0.00 N ATOM 393 CA THR A 32 -9.282 29.008 -16.829 1.00 0.00 C ATOM 394 C THR A 32 -9.555 30.449 -17.244 1.00 0.00 C ATOM 395 O THR A 32 -8.796 31.046 -18.012 1.00 0.00 O ATOM 396 CB THR A 32 -8.483 28.281 -17.930 1.00 0.00 C ATOM 397 OG1 THR A 32 -9.328 28.057 -19.076 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.964 26.944 -17.417 1.00 0.00 C ATOM 0 H THR A 32 -11.171 28.325 -17.358 1.00 0.00 H new ATOM 0 HA THR A 32 -8.692 29.013 -15.913 1.00 0.00 H new ATOM 0 HB THR A 32 -7.635 28.905 -18.214 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.817 27.597 -19.774 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.403 26.444 -18.207 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.313 27.111 -16.559 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.805 26.318 -17.118 1.00 0.00 H new ATOM 406 N CYS A 33 -10.648 31.002 -16.723 1.00 0.00 N ATOM 407 CA CYS A 33 -11.040 32.364 -17.022 1.00 0.00 C ATOM 408 C CYS A 33 -10.054 33.346 -16.399 1.00 0.00 C ATOM 409 O CYS A 33 -9.284 32.984 -15.521 1.00 0.00 O ATOM 410 CB CYS A 33 -12.450 32.628 -16.487 1.00 0.00 C ATOM 411 SG CYS A 33 -13.195 34.177 -17.067 1.00 0.00 S ATOM 0 H CYS A 33 -11.279 30.516 -16.086 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.036 32.503 -18.103 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.096 31.798 -16.775 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.415 32.641 -15.398 1.00 0.00 H new ATOM 416 N ALA A 34 -10.091 34.580 -16.851 1.00 0.00 N ATOM 417 CA ALA A 34 -9.207 35.604 -16.334 1.00 0.00 C ATOM 418 C ALA A 34 -10.013 36.708 -15.669 1.00 0.00 C ATOM 419 O ALA A 34 -9.557 37.849 -15.557 1.00 0.00 O ATOM 420 CB ALA A 34 -8.347 36.172 -17.457 1.00 0.00 C ATOM 0 H ALA A 34 -10.728 34.901 -17.580 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.551 35.158 -15.587 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.687 36.941 -17.056 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.749 35.374 -17.897 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -8.989 36.608 -18.222 1.00 0.00 H new ATOM 426 N ALA A 35 -11.207 36.362 -15.206 1.00 0.00 N ATOM 427 CA ALA A 35 -12.088 37.334 -14.580 1.00 0.00 C ATOM 428 C ALA A 35 -12.562 36.857 -13.215 1.00 0.00 C ATOM 429 O ALA A 35 -12.318 37.512 -12.202 1.00 0.00 O ATOM 430 CB ALA A 35 -13.275 37.638 -15.488 1.00 0.00 C ATOM 0 H ALA A 35 -11.586 35.416 -15.253 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.521 38.252 -14.429 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -13.925 38.367 -15.005 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.915 38.043 -16.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.834 36.721 -15.675 1.00 0.00 H new ATOM 436 N CYS A 36 -13.233 35.717 -13.180 1.00 0.00 N ATOM 437 CA CYS A 36 -13.741 35.190 -11.926 1.00 0.00 C ATOM 438 C CYS A 36 -12.684 34.352 -11.217 1.00 0.00 C ATOM 439 O CYS A 36 -12.534 34.420 -9.995 1.00 0.00 O ATOM 440 CB CYS A 36 -15.009 34.379 -12.170 1.00 0.00 C ATOM 441 SG CYS A 36 -14.873 33.153 -13.498 1.00 0.00 S ATOM 0 H CYS A 36 -13.437 35.144 -13.999 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.988 36.028 -11.275 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.281 33.867 -11.247 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.823 35.064 -12.407 1.00 0.00 H new ATOM 446 N LYS A 37 -11.946 33.581 -11.990 1.00 0.00 N ATOM 447 CA LYS A 37 -10.905 32.733 -11.450 1.00 0.00 C ATOM 448 C LYS A 37 -9.535 33.344 -11.731 1.00 0.00 C ATOM 449 O LYS A 37 -8.957 33.129 -12.783 1.00 0.00 O ATOM 450 CB LYS A 37 -11.030 31.309 -12.040 1.00 0.00 C ATOM 451 CG LYS A 37 -10.069 30.268 -11.466 1.00 0.00 C ATOM 452 CD LYS A 37 -8.853 30.075 -12.360 1.00 0.00 C ATOM 453 CE LYS A 37 -7.953 28.963 -11.852 1.00 0.00 C ATOM 454 NZ LYS A 37 -8.595 27.633 -11.994 1.00 0.00 N ATOM 0 H LYS A 37 -12.050 33.525 -13.003 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.017 32.658 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.051 30.959 -11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.873 31.367 -13.117 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.745 30.579 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.589 29.317 -11.348 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.180 29.844 -13.374 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.288 31.006 -12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.013 28.975 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.710 29.141 -10.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.865 26.892 -11.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.255 27.480 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.116 27.593 -12.893 1.00 0.00 H new ATOM 468 N THR A 38 -9.049 34.141 -10.794 1.00 0.00 N ATOM 469 CA THR A 38 -7.765 34.806 -10.939 1.00 0.00 C ATOM 470 C THR A 38 -7.405 35.534 -9.642 1.00 0.00 C ATOM 471 O THR A 38 -8.122 35.423 -8.645 1.00 0.00 O ATOM 472 CB THR A 38 -7.788 35.816 -12.129 1.00 0.00 C ATOM 473 OG1 THR A 38 -6.471 36.344 -12.366 1.00 0.00 O ATOM 474 CG2 THR A 38 -8.760 36.965 -11.857 1.00 0.00 C ATOM 0 H THR A 38 -9.529 34.344 -9.917 1.00 0.00 H new ATOM 0 HA THR A 38 -7.010 34.049 -11.150 1.00 0.00 H new ATOM 0 HB THR A 38 -8.125 35.278 -13.015 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.501 36.974 -13.116 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.756 37.653 -12.702 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.765 36.566 -11.719 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.453 37.496 -10.956 1.00 0.00 H new ATOM 482 N CYS A 39 -6.300 36.254 -9.660 1.00 0.00 N ATOM 483 CA CYS A 39 -5.855 37.011 -8.507 1.00 0.00 C ATOM 484 C CYS A 39 -5.914 38.501 -8.799 1.00 0.00 C ATOM 485 O CYS A 39 -5.529 38.951 -9.883 1.00 0.00 O ATOM 486 CB CYS A 39 -4.438 36.612 -8.103 1.00 0.00 C ATOM 487 SG CYS A 39 -3.749 37.605 -6.755 1.00 0.00 S ATOM 0 H CYS A 39 -5.687 36.330 -10.472 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.524 36.785 -7.677 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.438 35.564 -7.805 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.786 36.696 -8.972 1.00 0.00 H new ATOM 492 N ASN A 40 -6.390 39.262 -7.835 1.00 0.00 N ATOM 493 CA ASN A 40 -6.534 40.704 -7.995 1.00 0.00 C ATOM 494 C ASN A 40 -5.317 41.459 -7.467 1.00 0.00 C ATOM 495 O ASN A 40 -5.260 42.686 -7.536 1.00 0.00 O ATOM 496 CB ASN A 40 -7.809 41.198 -7.301 1.00 0.00 C ATOM 497 CG ASN A 40 -9.075 40.831 -8.062 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.568 41.607 -8.881 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.599 39.647 -7.814 1.00 0.00 N ATOM 0 H ASN A 40 -6.687 38.908 -6.925 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.610 40.907 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.858 40.775 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.759 42.281 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.440 39.348 -8.308 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.163 39.030 -7.129 1.00 0.00 H new ATOM 506 N CYS A 41 -4.341 40.730 -6.952 1.00 0.00 N ATOM 507 CA CYS A 41 -3.139 41.347 -6.422 1.00 0.00 C ATOM 508 C CYS A 41 -2.185 41.747 -7.529 1.00 0.00 C ATOM 509 O CYS A 41 -2.224 41.199 -8.633 1.00 0.00 O ATOM 510 CB CYS A 41 -2.435 40.410 -5.460 1.00 0.00 C ATOM 511 SG CYS A 41 -3.425 39.942 -4.047 1.00 0.00 S ATOM 0 H CYS A 41 -4.358 39.712 -6.890 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.446 42.247 -5.889 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.138 39.509 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.520 40.887 -5.108 1.00 0.00 H new ATOM 516 N THR A 42 -1.335 42.709 -7.223 1.00 0.00 N ATOM 517 CA THR A 42 -0.341 43.195 -8.151 1.00 0.00 C ATOM 518 C THR A 42 0.978 43.399 -7.414 1.00 0.00 C ATOM 519 O THR A 42 1.010 43.346 -6.181 1.00 0.00 O ATOM 520 CB THR A 42 -0.786 44.534 -8.784 1.00 0.00 C ATOM 521 OG1 THR A 42 -1.104 45.481 -7.749 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.003 44.335 -9.672 1.00 0.00 C ATOM 0 H THR A 42 -1.318 43.176 -6.316 1.00 0.00 H new ATOM 0 HA THR A 42 -0.218 42.459 -8.946 1.00 0.00 H new ATOM 0 HB THR A 42 0.035 44.912 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.384 46.328 -8.155 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.297 45.291 -10.106 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.760 43.634 -10.470 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.826 43.938 -9.078 1.00 0.00 H new ATOM 530 N SER A 43 2.053 43.638 -8.154 1.00 0.00 N ATOM 531 CA SER A 43 3.363 43.870 -7.552 1.00 0.00 C ATOM 532 C SER A 43 3.374 45.195 -6.790 1.00 0.00 C ATOM 533 O SER A 43 4.239 45.440 -5.947 1.00 0.00 O ATOM 534 CB SER A 43 4.450 43.866 -8.625 1.00 0.00 C ATOM 535 OG SER A 43 4.474 42.627 -9.324 1.00 0.00 O ATOM 0 H SER A 43 2.045 43.677 -9.173 1.00 0.00 H new ATOM 0 HA SER A 43 3.567 43.064 -6.847 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.275 44.680 -9.328 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.421 44.046 -8.164 1.00 0.00 H new ATOM 0 HG SER A 43 5.177 42.650 -10.007 1.00 0.00 H new ATOM 541 N ASP A 44 2.404 46.041 -7.104 1.00 0.00 N ATOM 542 CA ASP A 44 2.236 47.326 -6.441 1.00 0.00 C ATOM 543 C ASP A 44 1.809 47.127 -4.994 1.00 0.00 C ATOM 544 O ASP A 44 2.246 47.850 -4.095 1.00 0.00 O ATOM 545 CB ASP A 44 1.196 48.167 -7.190 1.00 0.00 C ATOM 546 CG ASP A 44 0.730 49.369 -6.398 1.00 0.00 C ATOM 547 OD1 ASP A 44 -0.380 49.308 -5.825 1.00 0.00 O ATOM 548 OD2 ASP A 44 1.465 50.377 -6.343 1.00 0.00 O ATOM 0 H ASP A 44 1.709 45.855 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 44 3.191 47.852 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.621 48.504 -8.135 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.336 47.542 -7.432 1.00 0.00 H new ATOM 553 N GLY A 45 0.976 46.130 -4.774 1.00 0.00 N ATOM 554 CA GLY A 45 0.501 45.847 -3.451 1.00 0.00 C ATOM 555 C GLY A 45 -0.340 44.599 -3.411 1.00 0.00 C ATOM 556 O GLY A 45 -1.222 44.403 -4.270 1.00 0.00 O ATOM 0 H GLY A 45 0.619 45.507 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.350 45.734 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.085 46.691 -3.087 1.00 0.00 H new ATOM 560 N CYS A 46 -0.069 43.741 -2.446 1.00 0.00 N ATOM 561 CA CYS A 46 -0.830 42.526 -2.281 1.00 0.00 C ATOM 562 C CYS A 46 -2.206 42.872 -1.732 1.00 0.00 C ATOM 563 O CYS A 46 -2.332 43.380 -0.617 1.00 0.00 O ATOM 564 CB CYS A 46 -0.100 41.563 -1.349 1.00 0.00 C ATOM 565 SG CYS A 46 -0.576 39.835 -1.553 1.00 0.00 S ATOM 0 H CYS A 46 0.678 43.868 -1.763 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.944 42.032 -3.246 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.973 41.655 -1.517 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.288 41.861 -0.317 1.00 0.00 H new ATOM 570 N LYS A 47 -3.223 42.592 -2.516 1.00 0.00 N ATOM 571 CA LYS A 47 -4.588 42.973 -2.188 1.00 0.00 C ATOM 572 C LYS A 47 -5.188 42.108 -1.092 1.00 0.00 C ATOM 573 O LYS A 47 -5.988 42.586 -0.288 1.00 0.00 O ATOM 574 CB LYS A 47 -5.457 42.930 -3.444 1.00 0.00 C ATOM 575 CG LYS A 47 -5.017 43.915 -4.522 1.00 0.00 C ATOM 576 CD LYS A 47 -5.331 45.352 -4.134 1.00 0.00 C ATOM 577 CE LYS A 47 -4.699 46.342 -5.101 1.00 0.00 C ATOM 578 NZ LYS A 47 -3.216 46.367 -4.985 1.00 0.00 N ATOM 0 H LYS A 47 -3.132 42.093 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.558 43.992 -1.801 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.438 41.921 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.490 43.142 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.946 43.811 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.516 43.674 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.411 45.498 -4.117 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.967 45.545 -3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.978 46.080 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.094 47.339 -4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.917 47.261 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.900 45.569 -4.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.792 46.289 -5.932 1.00 0.00 H new ATOM 592 N CYS A 48 -4.818 40.846 -1.050 1.00 0.00 N ATOM 593 CA CYS A 48 -5.350 39.967 -0.027 1.00 0.00 C ATOM 594 C CYS A 48 -4.503 40.057 1.229 1.00 0.00 C ATOM 595 O CYS A 48 -5.021 40.145 2.343 1.00 0.00 O ATOM 596 CB CYS A 48 -5.400 38.528 -0.521 1.00 0.00 C ATOM 597 SG CYS A 48 -3.780 37.796 -0.806 1.00 0.00 S ATOM 0 H CYS A 48 -4.163 40.410 -1.699 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.367 40.286 0.204 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.938 37.923 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.972 38.492 -1.448 1.00 0.00 H new ATOM 602 N GLY A 49 -3.197 40.052 1.041 1.00 0.00 N ATOM 603 CA GLY A 49 -2.289 40.118 2.152 1.00 0.00 C ATOM 604 C GLY A 49 -1.512 38.825 2.344 1.00 0.00 C ATOM 605 O GLY A 49 -0.759 38.685 3.309 1.00 0.00 O ATOM 0 H GLY A 49 -2.749 40.003 0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.589 40.939 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.847 40.342 3.061 1.00 0.00 H new ATOM 609 N LYS A 50 -1.695 37.870 1.426 1.00 0.00 N ATOM 610 CA LYS A 50 -0.960 36.599 1.481 1.00 0.00 C ATOM 611 C LYS A 50 0.447 36.795 0.929 1.00 0.00 C ATOM 612 O LYS A 50 1.278 35.881 0.953 1.00 0.00 O ATOM 613 CB LYS A 50 -1.673 35.506 0.672 1.00 0.00 C ATOM 614 CG LYS A 50 -3.115 35.229 1.091 1.00 0.00 C ATOM 615 CD LYS A 50 -3.221 34.818 2.544 1.00 0.00 C ATOM 616 CE LYS A 50 -4.627 34.334 2.877 1.00 0.00 C ATOM 617 NZ LYS A 50 -5.663 35.354 2.562 1.00 0.00 N ATOM 0 H LYS A 50 -2.341 37.950 0.641 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.913 36.282 2.523 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.665 35.790 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.102 34.581 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.718 36.121 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.529 34.441 0.462 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.501 34.027 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.963 35.662 3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.837 33.422 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.680 34.080 3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.443 35.280 3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.243 36.304 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.029 35.192 1.602 1.00 0.00 H new ATOM 631 N GLU A 51 0.683 38.001 0.420 1.00 0.00 N ATOM 632 CA GLU A 51 1.954 38.410 -0.165 1.00 0.00 C ATOM 633 C GLU A 51 2.213 37.669 -1.483 1.00 0.00 C ATOM 634 O GLU A 51 3.357 37.416 -1.862 1.00 0.00 O ATOM 635 CB GLU A 51 3.109 38.229 0.833 1.00 0.00 C ATOM 636 CG GLU A 51 4.386 38.953 0.431 1.00 0.00 C ATOM 637 CD GLU A 51 5.466 38.839 1.472 1.00 0.00 C ATOM 638 OE1 GLU A 51 5.928 39.882 1.970 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.855 37.703 1.813 1.00 0.00 O ATOM 0 H GLU A 51 -0.022 38.738 0.403 1.00 0.00 H new ATOM 0 HA GLU A 51 1.896 39.474 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.791 38.588 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.323 37.165 0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.750 38.544 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.163 40.006 0.257 1.00 0.00 H new ATOM 646 N CYS A 52 1.140 37.328 -2.184 1.00 0.00 N ATOM 647 CA CYS A 52 1.262 36.674 -3.470 1.00 0.00 C ATOM 648 C CYS A 52 1.564 37.700 -4.559 1.00 0.00 C ATOM 649 O CYS A 52 2.373 37.450 -5.452 1.00 0.00 O ATOM 650 CB CYS A 52 0.002 35.869 -3.799 1.00 0.00 C ATOM 651 SG CYS A 52 -1.560 36.735 -3.531 1.00 0.00 S ATOM 0 H CYS A 52 0.180 37.495 -1.881 1.00 0.00 H new ATOM 0 HA CYS A 52 2.095 35.972 -3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.052 35.558 -4.843 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.003 34.961 -3.196 1.00 0.00 H new ATOM 656 N THR A 53 0.915 38.863 -4.459 1.00 0.00 N ATOM 657 CA THR A 53 1.120 39.997 -5.383 1.00 0.00 C ATOM 658 C THR A 53 0.989 39.611 -6.865 1.00 0.00 C ATOM 659 O THR A 53 1.651 40.190 -7.730 1.00 0.00 O ATOM 660 CB THR A 53 2.473 40.723 -5.128 1.00 0.00 C ATOM 661 OG1 THR A 53 3.574 39.798 -5.147 1.00 0.00 O ATOM 662 CG2 THR A 53 2.439 41.437 -3.790 1.00 0.00 C ATOM 0 H THR A 53 0.226 39.052 -3.731 1.00 0.00 H new ATOM 0 HA THR A 53 0.309 40.691 -5.163 1.00 0.00 H new ATOM 0 HB THR A 53 2.616 41.449 -5.929 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.293 38.964 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.391 41.941 -3.622 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.634 42.172 -3.790 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.268 40.712 -2.995 1.00 0.00 H new ATOM 670 N GLY A 54 0.117 38.663 -7.155 1.00 0.00 N ATOM 671 CA GLY A 54 -0.086 38.260 -8.523 1.00 0.00 C ATOM 672 C GLY A 54 -0.390 36.788 -8.646 1.00 0.00 C ATOM 673 O GLY A 54 0.073 35.995 -7.829 1.00 0.00 O ATOM 0 H GLY A 54 -0.452 38.167 -6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.907 38.835 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.805 38.495 -9.105 1.00 0.00 H new ATOM 677 N PRO A 55 -1.164 36.389 -9.676 1.00 0.00 N ATOM 678 CA PRO A 55 -1.561 34.987 -9.894 1.00 0.00 C ATOM 679 C PRO A 55 -0.372 34.026 -9.992 1.00 0.00 C ATOM 680 O PRO A 55 -0.488 32.853 -9.639 1.00 0.00 O ATOM 681 CB PRO A 55 -2.332 35.026 -11.227 1.00 0.00 C ATOM 682 CG PRO A 55 -1.978 36.337 -11.845 1.00 0.00 C ATOM 683 CD PRO A 55 -1.721 37.274 -10.706 1.00 0.00 C ATOM 0 HA PRO A 55 -2.146 34.612 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.045 34.196 -11.873 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.407 34.945 -11.063 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.097 36.244 -12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.788 36.703 -12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.022 38.064 -10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.636 37.761 -10.369 1.00 0.00 H new ATOM 691 N ASP A 56 0.771 34.532 -10.442 1.00 0.00 N ATOM 692 CA ASP A 56 1.970 33.699 -10.605 1.00 0.00 C ATOM 693 C ASP A 56 2.504 33.215 -9.263 1.00 0.00 C ATOM 694 O ASP A 56 3.018 32.105 -9.155 1.00 0.00 O ATOM 695 CB ASP A 56 3.066 34.456 -11.360 1.00 0.00 C ATOM 696 CG ASP A 56 2.663 34.802 -12.774 1.00 0.00 C ATOM 697 OD1 ASP A 56 2.488 35.999 -13.067 1.00 0.00 O ATOM 698 OD2 ASP A 56 2.500 33.882 -13.594 1.00 0.00 O ATOM 0 H ASP A 56 0.898 35.510 -10.701 1.00 0.00 H new ATOM 0 HA ASP A 56 1.677 32.827 -11.190 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.308 35.372 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.972 33.850 -11.382 1.00 0.00 H new ATOM 703 N SER A 57 2.375 34.044 -8.244 1.00 0.00 N ATOM 704 CA SER A 57 2.844 33.694 -6.914 1.00 0.00 C ATOM 705 C SER A 57 1.661 33.513 -5.967 1.00 0.00 C ATOM 706 O SER A 57 1.823 33.441 -4.745 1.00 0.00 O ATOM 707 CB SER A 57 3.782 34.779 -6.394 1.00 0.00 C ATOM 708 OG SER A 57 4.826 35.026 -7.323 1.00 0.00 O ATOM 0 H SER A 57 1.948 34.968 -8.311 1.00 0.00 H new ATOM 0 HA SER A 57 3.390 32.752 -6.966 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.222 35.697 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.205 34.473 -5.437 1.00 0.00 H new ATOM 0 HG SER A 57 5.416 35.726 -6.973 1.00 0.00 H new ATOM 714 N CYS A 58 0.479 33.430 -6.547 1.00 0.00 N ATOM 715 CA CYS A 58 -0.742 33.275 -5.803 1.00 0.00 C ATOM 716 C CYS A 58 -0.897 31.836 -5.365 1.00 0.00 C ATOM 717 O CYS A 58 -0.935 30.926 -6.200 1.00 0.00 O ATOM 718 CB CYS A 58 -1.918 33.708 -6.673 1.00 0.00 C ATOM 719 SG CYS A 58 -3.482 33.850 -5.811 1.00 0.00 S ATOM 0 H CYS A 58 0.345 33.469 -7.557 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.715 33.901 -4.911 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.681 34.671 -7.126 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.032 32.992 -7.487 1.00 0.00 H new ATOM 724 N LYS A 59 -0.957 31.625 -4.061 1.00 0.00 N ATOM 725 CA LYS A 59 -1.065 30.281 -3.526 1.00 0.00 C ATOM 726 C LYS A 59 -2.379 30.075 -2.795 1.00 0.00 C ATOM 727 O LYS A 59 -2.634 29.000 -2.256 1.00 0.00 O ATOM 728 CB LYS A 59 0.117 29.963 -2.610 1.00 0.00 C ATOM 729 CG LYS A 59 1.472 30.058 -3.301 1.00 0.00 C ATOM 730 CD LYS A 59 1.534 29.180 -4.542 1.00 0.00 C ATOM 731 CE LYS A 59 2.899 29.246 -5.207 1.00 0.00 C ATOM 732 NZ LYS A 59 3.981 28.784 -4.305 1.00 0.00 N ATOM 0 H LYS A 59 -0.933 32.363 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.043 29.591 -4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.103 30.648 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.006 28.957 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.667 31.094 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.257 29.761 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.311 28.148 -4.270 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.768 29.496 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.893 28.633 -6.109 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.101 30.271 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.842 28.603 -4.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.176 29.517 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.685 27.908 -3.829 1.00 0.00 H new ATOM 746 N CYS A 60 -3.210 31.100 -2.773 1.00 0.00 N ATOM 747 CA CYS A 60 -4.517 30.981 -2.159 1.00 0.00 C ATOM 748 C CYS A 60 -5.559 30.693 -3.235 1.00 0.00 C ATOM 749 O CYS A 60 -5.877 31.550 -4.052 1.00 0.00 O ATOM 750 CB CYS A 60 -4.871 32.232 -1.325 1.00 0.00 C ATOM 751 SG CYS A 60 -4.079 33.775 -1.863 1.00 0.00 S ATOM 0 H CYS A 60 -3.005 32.017 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.505 30.146 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.952 32.370 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.597 32.045 -0.287 1.00 0.00 H new ATOM 756 N GLY A 61 -6.081 29.485 -3.226 1.00 0.00 N ATOM 757 CA GLY A 61 -6.972 29.053 -4.275 1.00 0.00 C ATOM 758 C GLY A 61 -8.408 29.151 -3.885 1.00 0.00 C ATOM 759 O GLY A 61 -8.860 28.442 -2.981 1.00 0.00 O ATOM 0 H GLY A 61 -5.902 28.787 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.799 29.658 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.741 28.021 -4.541 1.00 0.00 H new ATOM 763 N SER A 62 -9.133 30.030 -4.571 1.00 0.00 N ATOM 764 CA SER A 62 -10.543 30.270 -4.311 1.00 0.00 C ATOM 765 C SER A 62 -10.769 30.805 -2.884 1.00 0.00 C ATOM 766 O SER A 62 -9.882 30.733 -2.024 1.00 0.00 O ATOM 767 CB SER A 62 -11.361 28.983 -4.556 1.00 0.00 C ATOM 768 OG SER A 62 -12.749 29.189 -4.331 1.00 0.00 O ATOM 0 H SER A 62 -8.753 30.598 -5.328 1.00 0.00 H new ATOM 0 HA SER A 62 -10.889 31.037 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.205 28.643 -5.580 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.000 28.192 -3.899 1.00 0.00 H new ATOM 0 HG SER A 62 -13.235 28.354 -4.497 1.00 0.00 H new ATOM 774 N SER A 63 -11.928 31.401 -2.675 1.00 0.00 N ATOM 775 CA SER A 63 -12.365 31.881 -1.368 1.00 0.00 C ATOM 776 C SER A 63 -11.629 33.149 -0.899 1.00 0.00 C ATOM 777 O SER A 63 -12.228 33.984 -0.218 1.00 0.00 O ATOM 778 CB SER A 63 -12.253 30.764 -0.311 1.00 0.00 C ATOM 779 OG SER A 63 -12.859 31.142 0.916 1.00 0.00 O ATOM 0 H SER A 63 -12.606 31.570 -3.418 1.00 0.00 H new ATOM 0 HA SER A 63 -13.411 32.164 -1.484 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.727 29.857 -0.687 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.203 30.527 -0.141 1.00 0.00 H new ATOM 0 HG SER A 63 -12.771 30.411 1.563 1.00 0.00 H new ATOM 785 N CYS A 64 -10.350 33.317 -1.258 1.00 0.00 N ATOM 786 CA CYS A 64 -9.608 34.471 -0.769 1.00 0.00 C ATOM 787 C CYS A 64 -10.136 35.780 -1.363 1.00 0.00 C ATOM 788 O CYS A 64 -10.836 35.780 -2.380 1.00 0.00 O ATOM 789 CB CYS A 64 -8.118 34.323 -1.032 1.00 0.00 C ATOM 790 SG CYS A 64 -7.114 35.584 -0.212 1.00 0.00 S ATOM 0 H CYS A 64 -9.826 32.687 -1.866 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.759 34.513 0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.794 33.337 -0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.940 34.370 -2.106 1.00 0.00 H new ATOM 795 N SER A 65 -9.780 36.890 -0.729 1.00 0.00 N ATOM 796 CA SER A 65 -10.246 38.206 -1.137 1.00 0.00 C ATOM 797 C SER A 65 -9.649 38.630 -2.485 1.00 0.00 C ATOM 798 O SER A 65 -10.202 39.484 -3.169 1.00 0.00 O ATOM 799 CB SER A 65 -9.916 39.240 -0.052 1.00 0.00 C ATOM 800 OG SER A 65 -10.526 40.494 -0.325 1.00 0.00 O ATOM 0 H SER A 65 -9.161 36.902 0.081 1.00 0.00 H new ATOM 0 HA SER A 65 -11.327 38.153 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.254 38.873 0.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.835 39.367 0.015 1.00 0.00 H new ATOM 0 HG SER A 65 -10.298 41.130 0.385 1.00 0.00 H new ATOM 806 N CYS A 66 -8.521 38.035 -2.871 1.00 0.00 N ATOM 807 CA CYS A 66 -7.904 38.377 -4.147 1.00 0.00 C ATOM 808 C CYS A 66 -8.497 37.548 -5.279 1.00 0.00 C ATOM 809 O CYS A 66 -8.108 37.695 -6.425 1.00 0.00 O ATOM 810 CB CYS A 66 -6.382 38.188 -4.101 1.00 0.00 C ATOM 811 SG CYS A 66 -5.842 36.488 -3.794 1.00 0.00 S ATOM 0 H CYS A 66 -8.025 37.327 -2.329 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.113 39.430 -4.336 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.959 38.524 -5.047 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.973 38.831 -3.322 1.00 0.00 H new ATOM 816 N LYS A 67 -9.443 36.688 -4.948 1.00 0.00 N ATOM 817 CA LYS A 67 -10.075 35.821 -5.940 1.00 0.00 C ATOM 818 C LYS A 67 -11.313 36.488 -6.544 1.00 0.00 C ATOM 819 O LYS A 67 -11.157 37.211 -7.565 1.00 0.00 O ATOM 820 CB LYS A 67 -10.459 34.485 -5.300 1.00 0.00 C ATOM 821 CG LYS A 67 -9.295 33.724 -4.667 1.00 0.00 C ATOM 822 CD LYS A 67 -8.406 33.068 -5.709 1.00 0.00 C ATOM 823 CE LYS A 67 -7.211 33.929 -6.054 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.219 33.970 -4.960 1.00 0.00 N ATOM 0 H LYS A 67 -9.795 36.567 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.359 35.643 -6.742 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.215 34.667 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.919 33.853 -6.059 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.700 34.409 -4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.685 32.962 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.063 32.103 -5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.986 32.874 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.737 33.545 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.547 34.942 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.264 34.067 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.419 34.781 -4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.275 33.091 -4.408 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 ZN ZN A 101 -15.689 29.528 -16.132 1.00 0.00 ZN HETATM 840 ZN ZN A 102 -15.281 33.640 -15.927 1.00 0.00 ZN HETATM 841 ZN ZN A 103 -16.837 31.544 -12.915 1.00 0.00 ZN HETATM 842 ZN ZN A 104 -3.686 36.123 -4.949 1.00 0.00 ZN HETATM 843 ZN ZN A 105 -5.250 35.863 -1.661 1.00 0.00 ZN HETATM 844 ZN ZN A 106 -2.408 38.535 -2.446 1.00 0.00 ZN