USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.925 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 25:sc= -1.26 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00037 USER MOD Single : A 24 TYR OH : rot -84:sc= 0.227 USER MOD Single : A 32 SER OG : rot -119:sc= 0.0201 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 5 7.406 -5.169 1.166 1.00 0.00 N ATOM 68 CA LEU A 5 6.308 -4.922 2.093 1.00 0.00 C ATOM 69 C LEU A 5 5.212 -5.969 1.929 1.00 0.00 C ATOM 70 O LEU A 5 4.674 -6.154 0.837 1.00 0.00 O ATOM 71 CB LEU A 5 5.730 -3.523 1.871 1.00 0.00 C ATOM 72 CG LEU A 5 6.711 -2.373 2.102 1.00 0.00 C ATOM 73 CD1 LEU A 5 6.160 -1.078 1.525 1.00 0.00 C ATOM 74 CD2 LEU A 5 7.007 -2.216 3.586 1.00 0.00 C ATOM 0 HA LEU A 5 6.700 -4.989 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.354 -3.460 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.875 -3.390 2.534 1.00 0.00 H new ATOM 0 HG LEU A 5 7.644 -2.606 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.871 -0.271 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.000 -1.196 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.213 -0.838 2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.707 -1.393 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.081 -2.005 4.121 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.445 -3.138 3.969 1.00 0.00 H new ATOM 86 N PHE A 6 4.885 -6.653 3.020 1.00 0.00 N ATOM 87 CA PHE A 6 3.853 -7.682 2.999 1.00 0.00 C ATOM 88 C PHE A 6 2.531 -7.137 3.532 1.00 0.00 C ATOM 89 O PHE A 6 2.462 -6.001 4.000 1.00 0.00 O ATOM 90 CB PHE A 6 4.291 -8.891 3.828 1.00 0.00 C ATOM 91 CG PHE A 6 3.703 -10.189 3.355 1.00 0.00 C ATOM 92 CD1 PHE A 6 3.795 -10.562 2.023 1.00 0.00 C ATOM 93 CD2 PHE A 6 3.059 -11.037 4.241 1.00 0.00 C ATOM 94 CE1 PHE A 6 3.255 -11.756 1.585 1.00 0.00 C ATOM 95 CE2 PHE A 6 2.517 -12.232 3.809 1.00 0.00 C ATOM 96 CZ PHE A 6 2.615 -12.592 2.479 1.00 0.00 C ATOM 0 H PHE A 6 5.321 -6.513 3.931 1.00 0.00 H new ATOM 0 HA PHE A 6 3.707 -7.994 1.965 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.378 -8.964 3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 6 4.006 -8.730 4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.294 -9.912 1.320 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.980 -10.761 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.333 -12.035 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.017 -12.884 4.510 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.192 -13.526 2.139 1.00 0.00 H new ATOM 106 N ARG A 7 1.485 -7.953 3.459 1.00 0.00 N ATOM 107 CA ARG A 7 0.166 -7.550 3.937 1.00 0.00 C ATOM 108 C ARG A 7 0.220 -7.132 5.402 1.00 0.00 C ATOM 109 O ARG A 7 0.771 -7.843 6.242 1.00 0.00 O ATOM 110 CB ARG A 7 -0.843 -8.687 3.758 1.00 0.00 C ATOM 111 CG ARG A 7 -0.285 -10.061 4.096 1.00 0.00 C ATOM 112 CD ARG A 7 -1.221 -10.841 5.008 1.00 0.00 C ATOM 113 NE ARG A 7 -1.914 -11.914 4.296 1.00 0.00 N ATOM 114 CZ ARG A 7 -3.028 -11.740 3.589 1.00 0.00 C ATOM 115 NH1 ARG A 7 -3.582 -10.537 3.491 1.00 0.00 N ATOM 116 NH2 ARG A 7 -3.591 -12.772 2.976 1.00 0.00 N ATOM 0 H ARG A 7 1.524 -8.897 3.074 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.156 -6.694 3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.711 -8.493 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.193 -8.691 2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.121 -10.623 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.686 -9.951 4.580 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.651 -11.264 5.835 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.955 -10.161 5.441 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.519 -12.853 4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.154 -9.739 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.436 -10.411 2.947 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.170 -13.699 3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.445 -12.639 2.434 1.00 0.00 H new ATOM 130 N GLY A 8 -0.353 -5.972 5.700 1.00 0.00 N ATOM 131 CA GLY A 8 -0.358 -5.475 7.064 1.00 0.00 C ATOM 132 C GLY A 8 0.802 -4.540 7.343 1.00 0.00 C ATOM 133 O GLY A 8 1.238 -4.408 8.487 1.00 0.00 O ATOM 0 H GLY A 8 -0.815 -5.366 5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -1.296 -4.953 7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.316 -6.317 7.755 1.00 0.00 H new ATOM 137 N ALA A 9 1.302 -3.890 6.297 1.00 0.00 N ATOM 138 CA ALA A 9 2.418 -2.964 6.436 1.00 0.00 C ATOM 139 C ALA A 9 2.071 -1.597 5.859 1.00 0.00 C ATOM 140 O ALA A 9 1.324 -1.493 4.887 1.00 0.00 O ATOM 141 CB ALA A 9 3.658 -3.525 5.756 1.00 0.00 C ATOM 0 H ALA A 9 0.951 -3.988 5.344 1.00 0.00 H new ATOM 0 HA ALA A 9 2.624 -2.840 7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.484 -2.822 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.926 -4.476 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.454 -3.679 4.696 1.00 0.00 H new ATOM 147 N ARG A 10 2.621 -0.549 6.464 1.00 0.00 N ATOM 148 CA ARG A 10 2.371 0.813 6.010 1.00 0.00 C ATOM 149 C ARG A 10 3.401 1.236 4.967 1.00 0.00 C ATOM 150 O ARG A 10 4.579 0.894 5.068 1.00 0.00 O ATOM 151 CB ARG A 10 2.401 1.781 7.195 1.00 0.00 C ATOM 152 CG ARG A 10 1.048 1.971 7.860 1.00 0.00 C ATOM 153 CD ARG A 10 1.180 2.682 9.196 1.00 0.00 C ATOM 154 NE ARG A 10 -0.120 3.030 9.765 1.00 0.00 N ATOM 155 CZ ARG A 10 -0.280 3.852 10.799 1.00 0.00 C ATOM 156 NH1 ARG A 10 0.774 4.412 11.379 1.00 0.00 N ATOM 157 NH2 ARG A 10 -1.497 4.116 11.255 1.00 0.00 N ATOM 0 H ARG A 10 3.243 -0.618 7.270 1.00 0.00 H new ATOM 0 HA ARG A 10 1.383 0.841 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.112 1.414 7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.768 2.749 6.853 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.396 2.547 7.203 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.575 1.000 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.721 2.043 9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.773 3.588 9.067 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.954 2.619 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.712 4.213 11.032 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.646 5.041 12.171 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.311 3.689 10.813 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.619 4.746 12.048 1.00 0.00 H new ATOM 171 N CYS A 11 2.947 1.982 3.966 1.00 0.00 N ATOM 172 CA CYS A 11 3.826 2.455 2.905 1.00 0.00 C ATOM 173 C CYS A 11 3.378 3.823 2.402 1.00 0.00 C ATOM 174 O CYS A 11 2.182 4.095 2.304 1.00 0.00 O ATOM 175 CB CYS A 11 3.846 1.454 1.748 1.00 0.00 C ATOM 176 SG CYS A 11 2.207 1.116 1.029 1.00 0.00 S ATOM 0 H CYS A 11 1.974 2.272 3.868 1.00 0.00 H new ATOM 0 HA CYS A 11 4.833 2.548 3.312 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.503 1.833 0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.277 0.517 2.100 1.00 0.00 H new ATOM 181 N ARG A 12 4.343 4.680 2.085 1.00 0.00 N ATOM 182 CA ARG A 12 4.038 6.020 1.595 1.00 0.00 C ATOM 183 C ARG A 12 4.160 6.089 0.077 1.00 0.00 C ATOM 184 O ARG A 12 4.572 5.127 -0.570 1.00 0.00 O ATOM 185 CB ARG A 12 4.961 7.051 2.246 1.00 0.00 C ATOM 186 CG ARG A 12 6.437 6.704 2.138 1.00 0.00 C ATOM 187 CD ARG A 12 6.925 5.947 3.363 1.00 0.00 C ATOM 188 NE ARG A 12 8.179 6.491 3.879 1.00 0.00 N ATOM 189 CZ ARG A 12 8.995 5.829 4.696 1.00 0.00 C ATOM 190 NH1 ARG A 12 8.691 4.600 5.095 1.00 0.00 N ATOM 191 NH2 ARG A 12 10.115 6.399 5.118 1.00 0.00 N ATOM 0 H ARG A 12 5.339 4.472 2.158 1.00 0.00 H new ATOM 0 HA ARG A 12 3.007 6.250 1.865 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.790 8.023 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.696 7.149 3.299 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.605 6.101 1.246 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.019 7.618 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.164 5.989 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.063 4.896 3.109 1.00 0.00 H new ATOM 0 HE ARG A 12 8.445 7.434 3.596 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.829 4.159 4.775 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.320 4.097 5.721 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.351 7.344 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.741 5.892 5.744 1.00 0.00 H new ATOM 205 N VAL A 13 3.791 7.235 -0.486 1.00 0.00 N ATOM 206 CA VAL A 13 3.851 7.436 -1.928 1.00 0.00 C ATOM 207 C VAL A 13 5.293 7.506 -2.423 1.00 0.00 C ATOM 208 O VAL A 13 5.635 6.932 -3.456 1.00 0.00 O ATOM 209 CB VAL A 13 3.118 8.730 -2.345 1.00 0.00 C ATOM 210 CG1 VAL A 13 1.667 8.696 -1.896 1.00 0.00 C ATOM 211 CG2 VAL A 13 3.818 9.953 -1.777 1.00 0.00 C ATOM 0 H VAL A 13 3.446 8.040 0.037 1.00 0.00 H new ATOM 0 HA VAL A 13 3.357 6.578 -2.383 1.00 0.00 H new ATOM 0 HB VAL A 13 3.141 8.794 -3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.170 9.617 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.164 7.844 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.624 8.602 -0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.284 10.853 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.831 9.892 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.841 9.993 -2.151 1.00 0.00 H new ATOM 221 N TYR A 14 6.128 8.231 -1.686 1.00 0.00 N ATOM 222 CA TYR A 14 7.532 8.397 -2.052 1.00 0.00 C ATOM 223 C TYR A 14 8.412 7.313 -1.431 1.00 0.00 C ATOM 224 O TYR A 14 9.627 7.476 -1.329 1.00 0.00 O ATOM 225 CB TYR A 14 8.017 9.781 -1.617 1.00 0.00 C ATOM 226 CG TYR A 14 6.987 10.867 -1.838 1.00 0.00 C ATOM 227 CD1 TYR A 14 6.704 11.333 -3.116 1.00 0.00 C ATOM 228 CD2 TYR A 14 6.283 11.410 -0.771 1.00 0.00 C ATOM 229 CE1 TYR A 14 5.751 12.313 -3.323 1.00 0.00 C ATOM 230 CE2 TYR A 14 5.328 12.389 -0.969 1.00 0.00 C ATOM 231 CZ TYR A 14 5.066 12.836 -2.247 1.00 0.00 C ATOM 232 OH TYR A 14 4.115 13.811 -2.449 1.00 0.00 O ATOM 0 H TYR A 14 5.857 8.714 -0.830 1.00 0.00 H new ATOM 0 HA TYR A 14 7.611 8.303 -3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.283 9.751 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.924 10.031 -2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.237 10.923 -3.961 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.485 11.061 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.544 12.667 -4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.790 12.801 -0.128 1.00 0.00 H new ATOM 0 HH TYR A 14 3.725 14.071 -1.588 1.00 0.00 H new ATOM 242 N SER A 15 7.798 6.206 -1.022 1.00 0.00 N ATOM 243 CA SER A 15 8.538 5.104 -0.419 1.00 0.00 C ATOM 244 C SER A 15 9.480 4.464 -1.436 1.00 0.00 C ATOM 245 O SER A 15 9.549 4.893 -2.587 1.00 0.00 O ATOM 246 CB SER A 15 7.574 4.053 0.133 1.00 0.00 C ATOM 247 OG SER A 15 7.938 3.665 1.446 1.00 0.00 O ATOM 0 H SER A 15 6.793 6.049 -1.097 1.00 0.00 H new ATOM 0 HA SER A 15 9.133 5.504 0.402 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.560 4.452 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.571 3.180 -0.520 1.00 0.00 H new ATOM 0 HG SER A 15 7.305 2.994 1.776 1.00 0.00 H new ATOM 253 N GLY A 16 10.201 3.436 -1.003 1.00 0.00 N ATOM 254 CA GLY A 16 11.125 2.754 -1.890 1.00 0.00 C ATOM 255 C GLY A 16 10.415 2.006 -2.999 1.00 0.00 C ATOM 256 O GLY A 16 9.615 2.584 -3.734 1.00 0.00 O ATOM 0 H GLY A 16 10.162 3.063 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.809 3.482 -2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.729 2.054 -1.313 1.00 0.00 H new ATOM 260 N ARG A 17 10.705 0.715 -3.118 1.00 0.00 N ATOM 261 CA ARG A 17 10.084 -0.115 -4.144 1.00 0.00 C ATOM 262 C ARG A 17 8.643 -0.446 -3.773 1.00 0.00 C ATOM 263 O ARG A 17 8.179 -0.111 -2.683 1.00 0.00 O ATOM 264 CB ARG A 17 10.884 -1.406 -4.338 1.00 0.00 C ATOM 265 CG ARG A 17 10.766 -1.991 -5.736 1.00 0.00 C ATOM 266 CD ARG A 17 11.980 -2.833 -6.091 1.00 0.00 C ATOM 267 NE ARG A 17 11.658 -3.874 -7.065 1.00 0.00 N ATOM 268 CZ ARG A 17 12.458 -4.899 -7.347 1.00 0.00 C ATOM 269 NH1 ARG A 17 13.628 -5.026 -6.732 1.00 0.00 N ATOM 270 NH2 ARG A 17 12.089 -5.802 -8.245 1.00 0.00 N ATOM 0 H ARG A 17 11.365 0.221 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 17 10.081 0.445 -5.079 1.00 0.00 H new ATOM 0 HB2 ARG A 17 11.934 -1.208 -4.123 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.544 -2.146 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.866 -2.603 -5.801 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.656 -1.185 -6.461 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.762 -2.190 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.379 -3.293 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 17 10.767 -3.811 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.918 -4.336 -6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.237 -5.814 -6.952 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.191 -5.711 -8.720 1.00 0.00 H new ATOM 0 HH22 ARG A 17 12.703 -6.587 -8.461 1.00 0.00 H new ATOM 284 N SER A 18 7.938 -1.107 -4.684 1.00 0.00 N ATOM 285 CA SER A 18 6.549 -1.483 -4.450 1.00 0.00 C ATOM 286 C SER A 18 6.455 -2.578 -3.391 1.00 0.00 C ATOM 287 O SER A 18 7.468 -3.026 -2.857 1.00 0.00 O ATOM 288 CB SER A 18 5.900 -1.957 -5.751 1.00 0.00 C ATOM 289 OG SER A 18 6.087 -1.012 -6.790 1.00 0.00 O ATOM 0 H SER A 18 8.305 -1.394 -5.591 1.00 0.00 H new ATOM 0 HA SER A 18 6.016 -0.604 -4.087 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.328 -2.915 -6.046 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.834 -2.119 -5.591 1.00 0.00 H new ATOM 0 HG SER A 18 5.664 -1.340 -7.611 1.00 0.00 H new ATOM 295 N CYS A 19 5.231 -3.003 -3.096 1.00 0.00 N ATOM 296 CA CYS A 19 5.003 -4.046 -2.102 1.00 0.00 C ATOM 297 C CYS A 19 5.493 -5.398 -2.611 1.00 0.00 C ATOM 298 O CYS A 19 6.058 -5.494 -3.701 1.00 0.00 O ATOM 299 CB CYS A 19 3.517 -4.127 -1.749 1.00 0.00 C ATOM 300 SG CYS A 19 3.020 -3.057 -0.361 1.00 0.00 S ATOM 0 H CYS A 19 4.382 -2.642 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 19 5.568 -3.790 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.931 -3.858 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.269 -5.160 -1.504 1.00 0.00 H new ATOM 305 N CYS A 20 5.271 -6.441 -1.816 1.00 0.00 N ATOM 306 CA CYS A 20 5.690 -7.788 -2.187 1.00 0.00 C ATOM 307 C CYS A 20 4.917 -8.282 -3.407 1.00 0.00 C ATOM 308 O CYS A 20 4.098 -7.556 -3.971 1.00 0.00 O ATOM 309 CB CYS A 20 5.483 -8.749 -1.016 1.00 0.00 C ATOM 310 SG CYS A 20 6.560 -8.420 0.416 1.00 0.00 S ATOM 0 H CYS A 20 4.804 -6.379 -0.912 1.00 0.00 H new ATOM 0 HA CYS A 20 6.750 -7.755 -2.439 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.443 -8.694 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.657 -9.768 -1.361 1.00 0.00 H new ATOM 0 HG CYS A 20 6.914 -7.169 0.414 1.00 0.00 H new ATOM 315 N PHE A 21 5.184 -9.521 -3.808 1.00 0.00 N ATOM 316 CA PHE A 21 4.514 -10.112 -4.961 1.00 0.00 C ATOM 317 C PHE A 21 3.006 -10.171 -4.741 1.00 0.00 C ATOM 318 O PHE A 21 2.534 -10.710 -3.740 1.00 0.00 O ATOM 319 CB PHE A 21 5.057 -11.517 -5.228 1.00 0.00 C ATOM 320 CG PHE A 21 6.507 -11.538 -5.619 1.00 0.00 C ATOM 321 CD1 PHE A 21 7.497 -11.582 -4.651 1.00 0.00 C ATOM 322 CD2 PHE A 21 6.879 -11.515 -6.953 1.00 0.00 C ATOM 323 CE1 PHE A 21 8.833 -11.603 -5.007 1.00 0.00 C ATOM 324 CE2 PHE A 21 8.213 -11.536 -7.315 1.00 0.00 C ATOM 325 CZ PHE A 21 9.191 -11.579 -6.341 1.00 0.00 C ATOM 0 H PHE A 21 5.859 -10.135 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 21 4.713 -9.482 -5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.922 -12.125 -4.334 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.469 -11.980 -6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.222 -11.600 -3.607 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.118 -11.480 -7.719 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.596 -11.638 -4.243 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.490 -11.519 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.234 -11.594 -6.622 1.00 0.00 H new ATOM 335 N GLY A 22 2.254 -9.613 -5.685 1.00 0.00 N ATOM 336 CA GLY A 22 0.806 -9.613 -5.576 1.00 0.00 C ATOM 337 C GLY A 22 0.297 -8.592 -4.577 1.00 0.00 C ATOM 338 O GLY A 22 -0.829 -8.699 -4.093 1.00 0.00 O ATOM 0 H GLY A 22 2.621 -9.161 -6.523 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.372 -9.407 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.468 -10.606 -5.280 1.00 0.00 H new ATOM 342 N TYR A 23 1.126 -7.601 -4.268 1.00 0.00 N ATOM 343 CA TYR A 23 0.751 -6.558 -3.320 1.00 0.00 C ATOM 344 C TYR A 23 1.160 -5.182 -3.835 1.00 0.00 C ATOM 345 O TYR A 23 2.251 -5.013 -4.379 1.00 0.00 O ATOM 346 CB TYR A 23 1.404 -6.817 -1.959 1.00 0.00 C ATOM 347 CG TYR A 23 0.836 -8.013 -1.229 1.00 0.00 C ATOM 348 CD1 TYR A 23 -0.292 -7.890 -0.428 1.00 0.00 C ATOM 349 CD2 TYR A 23 1.428 -9.265 -1.340 1.00 0.00 C ATOM 350 CE1 TYR A 23 -0.813 -8.980 0.242 1.00 0.00 C ATOM 351 CE2 TYR A 23 0.912 -10.359 -0.673 1.00 0.00 C ATOM 352 CZ TYR A 23 -0.208 -10.212 0.115 1.00 0.00 C ATOM 353 OH TYR A 23 -0.725 -11.301 0.780 1.00 0.00 O ATOM 0 H TYR A 23 2.062 -7.498 -4.660 1.00 0.00 H new ATOM 0 HA TYR A 23 -0.333 -6.579 -3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.474 -6.965 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.285 -5.931 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -0.770 -6.927 -0.327 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.306 -9.385 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -1.690 -8.867 0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.385 -11.325 -0.769 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.182 -12.093 0.583 1.00 0.00 H new ATOM 363 N TYR A 24 0.281 -4.201 -3.657 1.00 0.00 N ATOM 364 CA TYR A 24 0.561 -2.840 -4.101 1.00 0.00 C ATOM 365 C TYR A 24 0.389 -1.847 -2.955 1.00 0.00 C ATOM 366 O TYR A 24 -0.150 -2.187 -1.902 1.00 0.00 O ATOM 367 CB TYR A 24 -0.351 -2.454 -5.271 1.00 0.00 C ATOM 368 CG TYR A 24 -1.796 -2.873 -5.100 1.00 0.00 C ATOM 369 CD1 TYR A 24 -2.502 -2.569 -3.941 1.00 0.00 C ATOM 370 CD2 TYR A 24 -2.459 -3.566 -6.105 1.00 0.00 C ATOM 371 CE1 TYR A 24 -3.823 -2.946 -3.790 1.00 0.00 C ATOM 372 CE2 TYR A 24 -3.779 -3.945 -5.961 1.00 0.00 C ATOM 373 CZ TYR A 24 -4.457 -3.633 -4.803 1.00 0.00 C ATOM 374 OH TYR A 24 -5.773 -4.008 -4.656 1.00 0.00 O ATOM 0 H TYR A 24 -0.628 -4.322 -3.210 1.00 0.00 H new ATOM 0 HA TYR A 24 1.597 -2.805 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.312 -1.373 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.040 -2.903 -6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.010 -2.029 -3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.933 -3.813 -7.015 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.356 -2.703 -2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.278 -4.484 -6.753 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.819 -4.850 -4.157 1.00 0.00 H new ATOM 384 N CYS A 25 0.850 -0.620 -3.170 1.00 0.00 N ATOM 385 CA CYS A 25 0.747 0.423 -2.156 1.00 0.00 C ATOM 386 C CYS A 25 -0.347 1.422 -2.514 1.00 0.00 C ATOM 387 O CYS A 25 -0.268 2.107 -3.535 1.00 0.00 O ATOM 388 CB CYS A 25 2.084 1.148 -2.002 1.00 0.00 C ATOM 389 SG CYS A 25 2.139 2.318 -0.606 1.00 0.00 S ATOM 0 H CYS A 25 1.298 -0.323 -4.037 1.00 0.00 H new ATOM 0 HA CYS A 25 0.487 -0.050 -1.209 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.874 0.408 -1.873 1.00 0.00 H new ATOM 0 HB3 CYS A 25 2.301 1.688 -2.924 1.00 0.00 H new ATOM 394 N ARG A 26 -1.369 1.501 -1.669 1.00 0.00 N ATOM 395 CA ARG A 26 -2.481 2.418 -1.896 1.00 0.00 C ATOM 396 C ARG A 26 -2.517 3.506 -0.829 1.00 0.00 C ATOM 397 O ARG A 26 -2.179 3.265 0.329 1.00 0.00 O ATOM 398 CB ARG A 26 -3.806 1.654 -1.910 1.00 0.00 C ATOM 399 CG ARG A 26 -3.964 0.732 -3.110 1.00 0.00 C ATOM 400 CD ARG A 26 -5.353 0.840 -3.721 1.00 0.00 C ATOM 401 NE ARG A 26 -5.306 0.883 -5.180 1.00 0.00 N ATOM 402 CZ ARG A 26 -6.305 1.327 -5.942 1.00 0.00 C ATOM 403 NH1 ARG A 26 -7.428 1.763 -5.386 1.00 0.00 N ATOM 404 NH2 ARG A 26 -6.178 1.334 -7.262 1.00 0.00 N ATOM 0 H ARG A 26 -1.451 0.941 -0.820 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.335 2.893 -2.866 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.886 1.065 -0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.628 2.369 -1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.215 0.981 -3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.779 -0.298 -2.805 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.956 -0.010 -3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.845 1.738 -3.347 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.459 0.554 -5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.529 1.759 -4.371 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.190 2.102 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.316 1.000 -7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.942 1.674 -7.846 1.00 0.00 H new ATOM 418 N ARG A 27 -2.933 4.703 -1.227 1.00 0.00 N ATOM 419 CA ARG A 27 -3.015 5.829 -0.305 1.00 0.00 C ATOM 420 C ARG A 27 -4.280 5.747 0.543 1.00 0.00 C ATOM 421 O ARG A 27 -5.059 4.801 0.424 1.00 0.00 O ATOM 422 CB ARG A 27 -2.990 7.150 -1.077 1.00 0.00 C ATOM 423 CG ARG A 27 -1.645 7.452 -1.717 1.00 0.00 C ATOM 424 CD ARG A 27 -1.806 8.189 -3.038 1.00 0.00 C ATOM 425 NE ARG A 27 -0.983 9.394 -3.096 1.00 0.00 N ATOM 426 CZ ARG A 27 -0.670 10.025 -4.226 1.00 0.00 C ATOM 427 NH1 ARG A 27 -1.110 9.569 -5.392 1.00 0.00 N ATOM 428 NH2 ARG A 27 0.083 11.114 -4.190 1.00 0.00 N ATOM 0 H ARG A 27 -3.219 4.918 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.151 5.787 0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.755 7.123 -1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.252 7.963 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.044 8.053 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.103 6.521 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.535 7.525 -3.859 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.853 8.458 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.627 9.775 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.691 8.731 -5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.867 10.056 -6.255 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.423 11.469 -3.297 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.323 11.597 -5.056 1.00 0.00 H new ATOM 442 N ASP A 28 -4.478 6.742 1.401 1.00 0.00 N ATOM 443 CA ASP A 28 -5.649 6.782 2.269 1.00 0.00 C ATOM 444 C ASP A 28 -6.805 7.510 1.593 1.00 0.00 C ATOM 445 O ASP A 28 -7.948 7.059 1.639 1.00 0.00 O ATOM 446 CB ASP A 28 -5.304 7.470 3.592 1.00 0.00 C ATOM 447 CG ASP A 28 -4.588 6.545 4.557 1.00 0.00 C ATOM 448 OD1 ASP A 28 -5.055 5.401 4.739 1.00 0.00 O ATOM 449 OD2 ASP A 28 -3.561 6.965 5.128 1.00 0.00 O ATOM 0 H ASP A 28 -3.842 7.532 1.514 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.957 5.756 2.468 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.677 8.339 3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.219 7.837 4.057 1.00 0.00 H new ATOM 454 N PHE A 29 -6.497 8.641 0.968 1.00 0.00 N ATOM 455 CA PHE A 29 -7.510 9.437 0.282 1.00 0.00 C ATOM 456 C PHE A 29 -6.865 10.374 -0.736 1.00 0.00 C ATOM 457 O PHE A 29 -5.664 10.638 -0.673 1.00 0.00 O ATOM 458 CB PHE A 29 -8.327 10.248 1.294 1.00 0.00 C ATOM 459 CG PHE A 29 -7.533 10.714 2.482 1.00 0.00 C ATOM 460 CD1 PHE A 29 -6.857 11.924 2.449 1.00 0.00 C ATOM 461 CD2 PHE A 29 -7.461 9.942 3.630 1.00 0.00 C ATOM 462 CE1 PHE A 29 -6.125 12.354 3.539 1.00 0.00 C ATOM 463 CE2 PHE A 29 -6.730 10.367 4.723 1.00 0.00 C ATOM 464 CZ PHE A 29 -6.062 11.575 4.678 1.00 0.00 C ATOM 0 H PHE A 29 -5.554 9.028 0.922 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.176 8.755 -0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.753 11.116 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -9.162 9.640 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.903 12.537 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.982 8.997 3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -5.602 13.298 3.501 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -6.681 9.755 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.491 11.910 5.532 1.00 0.00 H new ATOM 474 N PRO A 30 -7.656 10.893 -1.691 1.00 0.00 N ATOM 475 CA PRO A 30 -7.154 11.807 -2.721 1.00 0.00 C ATOM 476 C PRO A 30 -6.405 12.991 -2.121 1.00 0.00 C ATOM 477 O PRO A 30 -7.010 13.983 -1.716 1.00 0.00 O ATOM 478 CB PRO A 30 -8.423 12.282 -3.448 1.00 0.00 C ATOM 479 CG PRO A 30 -9.564 11.859 -2.583 1.00 0.00 C ATOM 480 CD PRO A 30 -9.095 10.642 -1.842 1.00 0.00 C ATOM 0 HA PRO A 30 -6.438 11.318 -3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.415 13.363 -3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -8.497 11.836 -4.440 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.844 12.653 -1.891 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.446 11.634 -3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -9.592 10.538 -0.877 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.290 9.727 -2.401 1.00 0.00 H new ATOM 488 N GLY A 31 -5.081 12.876 -2.064 1.00 0.00 N ATOM 489 CA GLY A 31 -4.266 13.939 -1.508 1.00 0.00 C ATOM 490 C GLY A 31 -3.522 13.508 -0.259 1.00 0.00 C ATOM 491 O GLY A 31 -3.182 14.336 0.586 1.00 0.00 O ATOM 0 H GLY A 31 -4.559 12.064 -2.394 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.548 14.272 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.900 14.793 -1.272 1.00 0.00 H new ATOM 495 N SER A 32 -3.267 12.208 -0.141 1.00 0.00 N ATOM 496 CA SER A 32 -2.559 11.669 1.014 1.00 0.00 C ATOM 497 C SER A 32 -1.090 11.427 0.685 1.00 0.00 C ATOM 498 O SER A 32 -0.700 11.409 -0.482 1.00 0.00 O ATOM 499 CB SER A 32 -3.211 10.363 1.477 1.00 0.00 C ATOM 500 OG SER A 32 -2.932 10.108 2.842 1.00 0.00 O ATOM 0 H SER A 32 -3.540 11.509 -0.832 1.00 0.00 H new ATOM 0 HA SER A 32 -2.618 12.401 1.819 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.289 10.419 1.328 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.847 9.536 0.868 1.00 0.00 H new ATOM 0 HG SER A 32 -2.441 9.264 2.923 1.00 0.00 H new ATOM 506 N ILE A 33 -0.278 11.245 1.721 1.00 0.00 N ATOM 507 CA ILE A 33 1.148 11.007 1.540 1.00 0.00 C ATOM 508 C ILE A 33 1.539 9.605 2.006 1.00 0.00 C ATOM 509 O ILE A 33 2.471 9.003 1.473 1.00 0.00 O ATOM 510 CB ILE A 33 1.991 12.060 2.289 1.00 0.00 C ATOM 511 CG1 ILE A 33 3.486 11.803 2.081 1.00 0.00 C ATOM 512 CG2 ILE A 33 1.644 12.069 3.770 1.00 0.00 C ATOM 513 CD1 ILE A 33 4.367 12.939 2.555 1.00 0.00 C ATOM 0 H ILE A 33 -0.584 11.258 2.694 1.00 0.00 H new ATOM 0 HA ILE A 33 1.354 11.090 0.473 1.00 0.00 H new ATOM 0 HB ILE A 33 1.756 13.042 1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.767 10.892 2.609 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.672 11.627 1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.249 12.818 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.588 12.309 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.846 11.087 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.412 12.688 2.376 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.114 13.848 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.210 13.101 3.621 1.00 0.00 H new ATOM 525 N PHE A 34 0.817 9.085 2.996 1.00 0.00 N ATOM 526 CA PHE A 34 1.086 7.749 3.521 1.00 0.00 C ATOM 527 C PHE A 34 -0.158 6.869 3.446 1.00 0.00 C ATOM 528 O PHE A 34 -1.284 7.358 3.541 1.00 0.00 O ATOM 529 CB PHE A 34 1.586 7.822 4.966 1.00 0.00 C ATOM 530 CG PHE A 34 3.047 8.155 5.087 1.00 0.00 C ATOM 531 CD1 PHE A 34 3.548 9.332 4.559 1.00 0.00 C ATOM 532 CD2 PHE A 34 3.918 7.289 5.728 1.00 0.00 C ATOM 533 CE1 PHE A 34 4.891 9.642 4.668 1.00 0.00 C ATOM 534 CE2 PHE A 34 5.261 7.592 5.840 1.00 0.00 C ATOM 535 CZ PHE A 34 5.748 8.770 5.310 1.00 0.00 C ATOM 0 H PHE A 34 0.042 9.568 3.450 1.00 0.00 H new ATOM 0 HA PHE A 34 1.864 7.303 2.902 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.006 8.572 5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.399 6.865 5.454 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.882 10.017 4.056 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.543 6.366 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.269 10.564 4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.929 6.908 6.342 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.798 9.009 5.397 1.00 0.00 H new ATOM 545 N GLY A 35 0.057 5.569 3.273 1.00 0.00 N ATOM 546 CA GLY A 35 -1.053 4.638 3.188 1.00 0.00 C ATOM 547 C GLY A 35 -0.708 3.274 3.755 1.00 0.00 C ATOM 548 O GLY A 35 0.046 3.170 4.722 1.00 0.00 O ATOM 0 H GLY A 35 0.980 5.144 3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.908 5.046 3.726 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.354 4.530 2.146 1.00 0.00 H new ATOM 552 N THR A 36 -1.259 2.225 3.151 1.00 0.00 N ATOM 553 CA THR A 36 -1.002 0.864 3.603 1.00 0.00 C ATOM 554 C THR A 36 -0.748 -0.066 2.422 1.00 0.00 C ATOM 555 O THR A 36 -0.731 0.367 1.268 1.00 0.00 O ATOM 556 CB THR A 36 -2.179 0.348 4.431 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.911 1.424 4.990 1.00 0.00 O ATOM 558 CG2 THR A 36 -1.758 -0.560 5.567 1.00 0.00 C ATOM 0 H THR A 36 -1.885 2.293 2.349 1.00 0.00 H new ATOM 0 HA THR A 36 -0.108 0.879 4.226 1.00 0.00 H new ATOM 0 HB THR A 36 -2.791 -0.226 3.735 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.660 1.072 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.641 -0.891 6.114 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.234 -1.427 5.165 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.096 -0.017 6.241 1.00 0.00 H new ATOM 566 N CYS A 37 -0.548 -1.347 2.716 1.00 0.00 N ATOM 567 CA CYS A 37 -0.291 -2.341 1.680 1.00 0.00 C ATOM 568 C CYS A 37 -1.413 -3.374 1.620 1.00 0.00 C ATOM 569 O CYS A 37 -1.786 -3.959 2.636 1.00 0.00 O ATOM 570 CB CYS A 37 1.045 -3.040 1.941 1.00 0.00 C ATOM 571 SG CYS A 37 1.588 -4.135 0.591 1.00 0.00 S ATOM 0 H CYS A 37 -0.559 -1.721 3.665 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.247 -1.826 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.811 -2.284 2.111 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.964 -3.624 2.858 1.00 0.00 H new ATOM 576 N SER A 38 -1.947 -3.591 0.422 1.00 0.00 N ATOM 577 CA SER A 38 -3.028 -4.554 0.230 1.00 0.00 C ATOM 578 C SER A 38 -2.716 -5.504 -0.923 1.00 0.00 C ATOM 579 O SER A 38 -1.918 -5.185 -1.805 1.00 0.00 O ATOM 580 CB SER A 38 -4.346 -3.827 -0.037 1.00 0.00 C ATOM 581 OG SER A 38 -4.583 -2.825 0.938 1.00 0.00 O ATOM 0 H SER A 38 -1.650 -3.114 -0.429 1.00 0.00 H new ATOM 0 HA SER A 38 -3.122 -5.140 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.321 -3.375 -1.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.167 -4.544 -0.034 1.00 0.00 H new ATOM 0 HG SER A 38 -5.431 -2.374 0.744 1.00 0.00 H new ATOM 587 N ARG A 39 -3.351 -6.672 -0.909 1.00 0.00 N ATOM 588 CA ARG A 39 -3.144 -7.671 -1.954 1.00 0.00 C ATOM 589 C ARG A 39 -3.821 -7.247 -3.253 1.00 0.00 C ATOM 590 O ARG A 39 -4.788 -6.485 -3.242 1.00 0.00 O ATOM 591 CB ARG A 39 -3.683 -9.031 -1.506 1.00 0.00 C ATOM 592 CG ARG A 39 -5.083 -8.969 -0.917 1.00 0.00 C ATOM 593 CD ARG A 39 -5.738 -10.340 -0.887 1.00 0.00 C ATOM 594 NE ARG A 39 -7.171 -10.258 -0.618 1.00 0.00 N ATOM 595 CZ ARG A 39 -7.687 -10.076 0.595 1.00 0.00 C ATOM 596 NH1 ARG A 39 -6.893 -9.959 1.652 1.00 0.00 N ATOM 597 NH2 ARG A 39 -9.003 -10.011 0.752 1.00 0.00 N ATOM 0 H ARG A 39 -4.014 -6.951 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.072 -7.755 -2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.687 -9.709 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.005 -9.455 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.035 -8.566 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.696 -8.285 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.577 -10.839 -1.842 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.260 -10.953 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.814 -10.345 -1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.881 -10.008 1.537 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.295 -9.820 2.579 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.618 -10.101 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.399 -9.872 1.681 1.00 0.00 H new ATOM 611 N ARG A 40 -3.306 -7.746 -4.372 1.00 0.00 N ATOM 612 CA ARG A 40 -3.861 -7.422 -5.680 1.00 0.00 C ATOM 613 C ARG A 40 -5.228 -8.071 -5.869 1.00 0.00 C ATOM 614 O ARG A 40 -5.505 -9.132 -5.308 1.00 0.00 O ATOM 615 CB ARG A 40 -2.909 -7.876 -6.788 1.00 0.00 C ATOM 616 CG ARG A 40 -1.891 -6.821 -7.188 1.00 0.00 C ATOM 617 CD ARG A 40 -1.436 -7.002 -8.627 1.00 0.00 C ATOM 618 NE ARG A 40 -2.280 -6.267 -9.565 1.00 0.00 N ATOM 619 CZ ARG A 40 -2.150 -4.966 -9.817 1.00 0.00 C ATOM 620 NH1 ARG A 40 -1.212 -4.253 -9.204 1.00 0.00 N ATOM 621 NH2 ARG A 40 -2.960 -4.375 -10.685 1.00 0.00 N ATOM 0 H ARG A 40 -2.505 -8.377 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.983 -6.340 -5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.381 -8.771 -6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.493 -8.156 -7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.326 -5.829 -7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.029 -6.875 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.404 -6.664 -8.726 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.450 -8.062 -8.881 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.012 -6.780 -10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.586 -4.702 -8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.118 -3.257 -9.402 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.682 -4.917 -11.159 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.861 -3.378 -10.878 1.00 0.00 H new