USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 532 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 TYR OH : rot 116:sc= -6.84! USER MOD Set 1.3: A 34 THR OG1 : rot -121:sc= -1.02! USER MOD Single : A 2 SER OG : rot 170:sc= -1.66! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.25) USER MOD Single : A 24 SER OG : rot -140:sc= -0.453 USER MOD Single : A 25 LYS NZ :NH3+ 136:sc= 0.0311 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -2.79 K(o=-2.8,f=-0.84) USER MOD Single : A 38 SER OG : rot 48:sc= 0.55 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0.318 USER MOD Single : A 67 GLN : amide:sc= -3.15! K(o=-3.1!,f=-0.95) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0163 (180deg=-0.334) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.209 7.187 5.685 1.00 0.00 N ATOM 41 CA SER A 2 10.676 7.710 6.995 1.00 0.00 C ATOM 42 C SER A 2 12.048 7.087 7.294 1.00 0.00 C ATOM 43 O SER A 2 12.531 6.290 6.514 1.00 0.00 O ATOM 44 CB SER A 2 9.641 7.345 8.068 1.00 0.00 C ATOM 45 OG SER A 2 10.080 6.201 8.796 1.00 0.00 O ATOM 0 HA SER A 2 10.780 8.795 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.496 8.185 8.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.677 7.142 7.602 1.00 0.00 H new ATOM 0 HG SER A 2 9.503 6.069 9.577 1.00 0.00 H new ATOM 51 N PRO A 3 12.654 7.469 8.393 1.00 0.00 N ATOM 52 CA PRO A 3 13.985 6.953 8.768 1.00 0.00 C ATOM 53 C PRO A 3 14.092 5.430 8.570 1.00 0.00 C ATOM 54 O PRO A 3 15.178 4.895 8.465 1.00 0.00 O ATOM 55 CB PRO A 3 14.148 7.352 10.241 1.00 0.00 C ATOM 56 CG PRO A 3 13.025 8.375 10.568 1.00 0.00 C ATOM 57 CD PRO A 3 12.079 8.432 9.356 1.00 0.00 C ATOM 0 HA PRO A 3 14.775 7.366 8.140 1.00 0.00 H new ATOM 0 HB2 PRO A 3 14.071 6.477 10.887 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.131 7.791 10.414 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.482 8.074 11.464 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.450 9.359 10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.061 8.157 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.034 9.436 8.934 1.00 0.00 H new ATOM 65 N GLU A 4 12.994 4.725 8.496 1.00 0.00 N ATOM 66 CA GLU A 4 13.077 3.248 8.283 1.00 0.00 C ATOM 67 C GLU A 4 11.692 2.628 8.437 1.00 0.00 C ATOM 68 O GLU A 4 11.476 1.746 9.245 1.00 0.00 O ATOM 69 CB GLU A 4 14.042 2.626 9.297 1.00 0.00 C ATOM 70 CG GLU A 4 13.805 3.226 10.682 1.00 0.00 C ATOM 71 CD GLU A 4 14.844 2.669 11.657 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.887 2.232 11.197 1.00 0.00 O ATOM 73 OE2 GLU A 4 14.580 2.689 12.848 1.00 0.00 O ATOM 0 H GLU A 4 12.050 5.103 8.573 1.00 0.00 H new ATOM 0 HA GLU A 4 13.448 3.053 7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.900 1.546 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 4 15.072 2.803 8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.877 4.313 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.799 2.987 11.028 1.00 0.00 H new ATOM 80 N GLU A 5 10.758 3.080 7.655 1.00 0.00 N ATOM 81 CA GLU A 5 9.384 2.523 7.729 1.00 0.00 C ATOM 82 C GLU A 5 8.976 1.996 6.349 1.00 0.00 C ATOM 83 O GLU A 5 8.024 1.254 6.215 1.00 0.00 O ATOM 84 CB GLU A 5 8.420 3.604 8.177 1.00 0.00 C ATOM 85 CG GLU A 5 8.028 3.374 9.638 1.00 0.00 C ATOM 86 CD GLU A 5 6.512 3.510 9.788 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.921 4.221 8.993 1.00 0.00 O ATOM 88 OE2 GLU A 5 5.967 2.903 10.695 1.00 0.00 O ATOM 0 H GLU A 5 10.888 3.817 6.962 1.00 0.00 H new ATOM 0 HA GLU A 5 9.358 1.705 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.881 4.585 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.531 3.596 7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.348 2.383 9.960 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.534 4.096 10.279 1.00 0.00 H new ATOM 95 N LEU A 6 9.697 2.371 5.319 1.00 0.00 N ATOM 96 CA LEU A 6 9.362 1.888 3.959 1.00 0.00 C ATOM 97 C LEU A 6 9.396 0.374 3.986 1.00 0.00 C ATOM 98 O LEU A 6 8.518 -0.297 3.481 1.00 0.00 O ATOM 99 CB LEU A 6 10.402 2.364 2.949 1.00 0.00 C ATOM 100 CG LEU A 6 9.694 2.880 1.715 1.00 0.00 C ATOM 101 CD1 LEU A 6 10.715 3.102 0.602 1.00 0.00 C ATOM 102 CD2 LEU A 6 8.640 1.870 1.253 1.00 0.00 C ATOM 0 H LEU A 6 10.504 2.993 5.371 1.00 0.00 H new ATOM 0 HA LEU A 6 8.382 2.269 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.018 3.150 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 6 11.071 1.545 2.684 1.00 0.00 H new ATOM 0 HG LEU A 6 9.200 3.822 1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.208 3.474 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.456 3.831 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.211 2.160 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.136 2.251 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.123 0.922 1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.909 1.718 2.047 1.00 0.00 H new ATOM 114 N LYS A 7 10.414 -0.169 4.582 1.00 0.00 N ATOM 115 CA LYS A 7 10.516 -1.649 4.648 1.00 0.00 C ATOM 116 C LYS A 7 9.624 -2.168 5.769 1.00 0.00 C ATOM 117 O LYS A 7 9.372 -3.351 5.882 1.00 0.00 O ATOM 118 CB LYS A 7 11.960 -2.047 4.907 1.00 0.00 C ATOM 119 CG LYS A 7 12.280 -3.311 4.106 1.00 0.00 C ATOM 120 CD LYS A 7 13.550 -3.957 4.666 1.00 0.00 C ATOM 121 CE LYS A 7 14.589 -4.107 3.554 1.00 0.00 C ATOM 122 NZ LYS A 7 15.795 -4.795 4.095 1.00 0.00 N ATOM 0 H LYS A 7 11.177 0.344 5.025 1.00 0.00 H new ATOM 0 HA LYS A 7 10.191 -2.082 3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.631 -1.238 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.116 -2.226 5.971 1.00 0.00 H new ATOM 0 HG2 LYS A 7 11.447 -4.012 4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.418 -3.063 3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.954 -3.346 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.315 -4.933 5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.171 -4.679 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.861 -3.128 3.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.503 -4.898 3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.196 -4.232 4.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 15.528 -5.735 4.450 1.00 0.00 H new ATOM 136 N GLY A 8 9.129 -1.290 6.594 1.00 0.00 N ATOM 137 CA GLY A 8 8.240 -1.735 7.698 1.00 0.00 C ATOM 138 C GLY A 8 6.859 -2.023 7.126 1.00 0.00 C ATOM 139 O GLY A 8 6.145 -2.883 7.598 1.00 0.00 O ATOM 0 H GLY A 8 9.302 -0.286 6.551 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.646 -2.628 8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.178 -0.965 8.467 1.00 0.00 H new ATOM 143 N ILE A 9 6.483 -1.323 6.094 1.00 0.00 N ATOM 144 CA ILE A 9 5.160 -1.579 5.477 1.00 0.00 C ATOM 145 C ILE A 9 5.318 -2.733 4.510 1.00 0.00 C ATOM 146 O ILE A 9 4.740 -3.781 4.666 1.00 0.00 O ATOM 147 CB ILE A 9 4.643 -0.332 4.732 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.428 -0.707 3.882 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.721 0.331 3.858 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.867 -1.415 2.608 1.00 0.00 C ATOM 0 H ILE A 9 7.035 -0.587 5.654 1.00 0.00 H new ATOM 0 HA ILE A 9 4.433 -1.820 6.252 1.00 0.00 H new ATOM 0 HB ILE A 9 4.358 0.401 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.762 -1.354 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.862 0.190 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.299 1.203 3.358 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.557 0.641 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 9 6.072 -0.381 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.990 -1.675 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.514 -0.755 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.412 -2.323 2.866 1.00 0.00 H new ATOM 162 N PHE A 10 6.118 -2.554 3.518 1.00 0.00 N ATOM 163 CA PHE A 10 6.333 -3.645 2.548 1.00 0.00 C ATOM 164 C PHE A 10 6.502 -5.028 3.197 1.00 0.00 C ATOM 165 O PHE A 10 5.635 -5.868 3.123 1.00 0.00 O ATOM 166 CB PHE A 10 7.543 -3.340 1.673 1.00 0.00 C ATOM 167 CG PHE A 10 7.149 -3.241 0.236 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.903 -2.760 -0.167 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.045 -3.750 -0.698 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.561 -2.799 -1.528 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.716 -3.772 -2.040 1.00 0.00 C ATOM 172 CZ PHE A 10 6.480 -3.307 -2.461 1.00 0.00 C ATOM 0 H PHE A 10 6.637 -1.696 3.333 1.00 0.00 H new ATOM 0 HA PHE A 10 5.427 -3.692 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.002 -2.405 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.292 -4.122 1.796 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.210 -2.362 0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.002 -4.130 -0.373 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.597 -2.440 -1.856 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.423 -4.152 -2.762 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.223 -3.335 -3.510 1.00 0.00 H new ATOM 182 N GLU A 11 7.616 -5.292 3.799 1.00 0.00 N ATOM 183 CA GLU A 11 7.832 -6.647 4.398 1.00 0.00 C ATOM 184 C GLU A 11 6.688 -6.996 5.346 1.00 0.00 C ATOM 185 O GLU A 11 6.476 -8.140 5.695 1.00 0.00 O ATOM 186 CB GLU A 11 9.150 -6.652 5.170 1.00 0.00 C ATOM 187 CG GLU A 11 10.240 -7.280 4.300 1.00 0.00 C ATOM 188 CD GLU A 11 10.774 -8.541 4.981 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.030 -9.504 5.068 1.00 0.00 O ATOM 190 OE2 GLU A 11 11.920 -8.524 5.401 1.00 0.00 O ATOM 0 H GLU A 11 8.391 -4.638 3.908 1.00 0.00 H new ATOM 0 HA GLU A 11 7.866 -7.387 3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.428 -5.635 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.040 -7.214 6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.838 -7.527 3.317 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.050 -6.568 4.143 1.00 0.00 H new ATOM 197 N LYS A 12 5.958 -6.013 5.760 1.00 0.00 N ATOM 198 CA LYS A 12 4.817 -6.252 6.693 1.00 0.00 C ATOM 199 C LYS A 12 3.560 -6.610 5.905 1.00 0.00 C ATOM 200 O LYS A 12 3.169 -7.757 5.814 1.00 0.00 O ATOM 201 CB LYS A 12 4.566 -4.998 7.527 1.00 0.00 C ATOM 202 CG LYS A 12 3.390 -5.245 8.471 1.00 0.00 C ATOM 203 CD LYS A 12 3.893 -5.247 9.914 1.00 0.00 C ATOM 204 CE LYS A 12 2.844 -4.602 10.821 1.00 0.00 C ATOM 205 NZ LYS A 12 3.359 -3.297 11.321 1.00 0.00 N ATOM 0 H LYS A 12 6.098 -5.038 5.494 1.00 0.00 H new ATOM 0 HA LYS A 12 5.066 -7.082 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.458 -4.743 8.099 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.352 -4.151 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.634 -4.471 8.338 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.915 -6.198 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.092 -6.268 10.239 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.834 -4.701 9.983 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.914 -4.452 10.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.617 -5.261 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.647 -2.856 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.235 -3.453 11.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.555 -2.669 10.515 1.00 0.00 H new ATOM 219 N TYR A 13 2.920 -5.619 5.351 1.00 0.00 N ATOM 220 CA TYR A 13 1.679 -5.854 4.579 1.00 0.00 C ATOM 221 C TYR A 13 2.034 -6.426 3.206 1.00 0.00 C ATOM 222 O TYR A 13 1.331 -7.266 2.682 1.00 0.00 O ATOM 223 CB TYR A 13 0.942 -4.524 4.412 1.00 0.00 C ATOM 224 CG TYR A 13 0.842 -3.823 5.751 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.875 -2.980 6.188 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.288 -4.012 6.552 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.773 -2.329 7.427 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.388 -3.362 7.790 1.00 0.00 C ATOM 229 CZ TYR A 13 0.641 -2.522 8.227 1.00 0.00 C ATOM 230 OH TYR A 13 0.545 -1.897 9.452 1.00 0.00 O ATOM 0 H TYR A 13 3.213 -4.643 5.404 1.00 0.00 H new ATOM 0 HA TYR A 13 1.041 -6.563 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.470 -3.892 3.698 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.055 -4.698 4.007 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.749 -2.832 5.571 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.085 -4.659 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.568 -1.679 7.763 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.262 -3.510 8.408 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.209 -1.271 9.442 1.00 0.00 H new ATOM 240 N ALA A 14 3.130 -6.017 2.621 1.00 0.00 N ATOM 241 CA ALA A 14 3.496 -6.608 1.303 1.00 0.00 C ATOM 242 C ALA A 14 3.780 -8.092 1.536 1.00 0.00 C ATOM 243 O ALA A 14 3.733 -8.896 0.630 1.00 0.00 O ATOM 244 CB ALA A 14 4.751 -5.921 0.726 1.00 0.00 C ATOM 0 H ALA A 14 3.773 -5.316 2.989 1.00 0.00 H new ATOM 0 HA ALA A 14 2.684 -6.469 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.000 -6.368 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.554 -4.857 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.586 -6.052 1.414 1.00 0.00 H new ATOM 250 N ASP A 15 4.074 -8.453 2.765 1.00 0.00 N ATOM 251 CA ASP A 15 4.372 -9.877 3.087 1.00 0.00 C ATOM 252 C ASP A 15 3.057 -10.624 3.294 1.00 0.00 C ATOM 253 O ASP A 15 2.987 -11.832 3.185 1.00 0.00 O ATOM 254 CB ASP A 15 5.205 -9.958 4.374 1.00 0.00 C ATOM 255 CG ASP A 15 5.269 -11.411 4.847 1.00 0.00 C ATOM 256 OD1 ASP A 15 4.392 -11.811 5.594 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.195 -12.101 4.452 1.00 0.00 O ATOM 0 H ASP A 15 4.119 -7.815 3.559 1.00 0.00 H new ATOM 0 HA ASP A 15 4.933 -10.325 2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.211 -9.578 4.194 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.761 -9.331 5.148 1.00 0.00 H new ATOM 262 N LYS A 16 2.013 -9.903 3.592 1.00 0.00 N ATOM 263 CA LYS A 16 0.695 -10.546 3.808 1.00 0.00 C ATOM 264 C LYS A 16 0.355 -11.416 2.600 1.00 0.00 C ATOM 265 O LYS A 16 -0.280 -12.445 2.722 1.00 0.00 O ATOM 266 CB LYS A 16 -0.358 -9.456 3.980 1.00 0.00 C ATOM 267 CG LYS A 16 -0.961 -9.548 5.381 1.00 0.00 C ATOM 268 CD LYS A 16 0.072 -9.072 6.402 1.00 0.00 C ATOM 269 CE LYS A 16 -0.579 -8.948 7.781 1.00 0.00 C ATOM 270 NZ LYS A 16 -0.064 -7.726 8.462 1.00 0.00 N ATOM 0 H LYS A 16 2.020 -8.888 3.695 1.00 0.00 H new ATOM 0 HA LYS A 16 0.721 -11.172 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.091 -8.474 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.139 -9.568 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.861 -8.937 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.257 -10.575 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.904 -9.774 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.482 -8.110 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.663 -8.892 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.359 -9.832 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.505 -7.639 9.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.968 -7.798 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.295 -6.887 7.892 1.00 0.00 H new ATOM 284 N GLU A 17 0.781 -11.016 1.435 1.00 0.00 N ATOM 285 CA GLU A 17 0.490 -11.828 0.224 1.00 0.00 C ATOM 286 C GLU A 17 1.630 -12.818 -0.002 1.00 0.00 C ATOM 287 O GLU A 17 2.026 -13.086 -1.119 1.00 0.00 O ATOM 288 CB GLU A 17 0.351 -10.915 -0.985 1.00 0.00 C ATOM 289 CG GLU A 17 -1.089 -10.970 -1.495 1.00 0.00 C ATOM 290 CD GLU A 17 -1.439 -12.407 -1.890 1.00 0.00 C ATOM 291 OE1 GLU A 17 -0.686 -12.990 -2.653 1.00 0.00 O ATOM 292 OE2 GLU A 17 -2.452 -12.900 -1.421 1.00 0.00 O ATOM 0 H GLU A 17 1.317 -10.164 1.270 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.443 -12.374 0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.615 -9.892 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.040 -11.225 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.773 -10.618 -0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.207 -10.307 -2.352 1.00 0.00 H new ATOM 299 N GLY A 18 2.165 -13.359 1.058 1.00 0.00 N ATOM 300 CA GLY A 18 3.282 -14.332 0.917 1.00 0.00 C ATOM 301 C GLY A 18 4.439 -13.680 0.160 1.00 0.00 C ATOM 302 O GLY A 18 4.816 -14.118 -0.908 1.00 0.00 O ATOM 0 H GLY A 18 1.875 -13.168 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.617 -14.661 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.940 -15.219 0.384 1.00 0.00 H new ATOM 306 N ASP A 19 5.012 -12.640 0.705 1.00 0.00 N ATOM 307 CA ASP A 19 6.147 -11.978 0.006 1.00 0.00 C ATOM 308 C ASP A 19 6.721 -10.843 0.863 1.00 0.00 C ATOM 309 O ASP A 19 7.615 -11.049 1.659 1.00 0.00 O ATOM 310 CB ASP A 19 5.675 -11.451 -1.358 1.00 0.00 C ATOM 311 CG ASP A 19 6.785 -11.656 -2.390 1.00 0.00 C ATOM 312 OD1 ASP A 19 6.919 -12.769 -2.873 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.479 -10.697 -2.684 1.00 0.00 O ATOM 0 H ASP A 19 4.745 -12.224 1.597 1.00 0.00 H new ATOM 0 HA ASP A 19 6.941 -12.707 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.771 -11.974 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.422 -10.393 -1.284 1.00 0.00 H new ATOM 318 N GLY A 20 6.248 -9.650 0.683 1.00 0.00 N ATOM 319 CA GLY A 20 6.793 -8.500 1.454 1.00 0.00 C ATOM 320 C GLY A 20 7.480 -7.576 0.458 1.00 0.00 C ATOM 321 O GLY A 20 7.891 -6.481 0.787 1.00 0.00 O ATOM 0 H GLY A 20 5.500 -9.416 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.994 -7.975 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.499 -8.844 2.210 1.00 0.00 H new ATOM 325 N ASN A 21 7.617 -8.020 -0.767 1.00 0.00 N ATOM 326 CA ASN A 21 8.282 -7.190 -1.777 1.00 0.00 C ATOM 327 C ASN A 21 7.257 -6.562 -2.745 1.00 0.00 C ATOM 328 O ASN A 21 7.609 -5.788 -3.608 1.00 0.00 O ATOM 329 CB ASN A 21 9.254 -8.076 -2.546 1.00 0.00 C ATOM 330 CG ASN A 21 10.578 -8.157 -1.786 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.464 -7.352 -1.995 1.00 0.00 O ATOM 332 ND2 ASN A 21 10.749 -9.104 -0.906 1.00 0.00 N ATOM 0 H ASN A 21 7.290 -8.928 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 21 8.811 -6.372 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.833 -9.073 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.419 -7.672 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.627 -9.170 -0.392 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.004 -9.779 -0.732 1.00 0.00 H new ATOM 339 N GLN A 22 5.996 -6.883 -2.613 1.00 0.00 N ATOM 340 CA GLN A 22 4.957 -6.282 -3.515 1.00 0.00 C ATOM 341 C GLN A 22 3.652 -6.166 -2.721 1.00 0.00 C ATOM 342 O GLN A 22 3.445 -6.871 -1.755 1.00 0.00 O ATOM 343 CB GLN A 22 4.702 -7.141 -4.769 1.00 0.00 C ATOM 344 CG GLN A 22 5.980 -7.847 -5.250 1.00 0.00 C ATOM 345 CD GLN A 22 5.747 -9.357 -5.278 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.082 -10.018 -6.242 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.182 -9.937 -4.255 1.00 0.00 N ATOM 0 H GLN A 22 5.636 -7.537 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 22 5.316 -5.309 -3.852 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.937 -7.885 -4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.313 -6.510 -5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.253 -7.492 -6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.812 -7.609 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.901 -9.383 -3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.022 -10.944 -4.264 1.00 0.00 H new ATOM 356 N LEU A 23 2.784 -5.263 -3.092 1.00 0.00 N ATOM 357 CA LEU A 23 1.520 -5.093 -2.319 1.00 0.00 C ATOM 358 C LEU A 23 0.283 -5.360 -3.180 1.00 0.00 C ATOM 359 O LEU A 23 0.374 -5.733 -4.328 1.00 0.00 O ATOM 360 CB LEU A 23 1.466 -3.657 -1.816 1.00 0.00 C ATOM 361 CG LEU A 23 1.928 -3.632 -0.370 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.015 -2.188 0.119 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.935 -4.407 0.501 1.00 0.00 C ATOM 0 H LEU A 23 2.894 -4.639 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 23 1.516 -5.810 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.103 -3.018 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.452 -3.266 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 23 2.912 -4.097 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.347 -2.175 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.727 -1.638 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.034 -1.719 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.269 -4.388 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.050 -3.946 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.878 -5.440 0.157 1.00 0.00 H new ATOM 375 N SER A 24 -0.877 -5.159 -2.606 1.00 0.00 N ATOM 376 CA SER A 24 -2.138 -5.360 -3.314 1.00 0.00 C ATOM 377 C SER A 24 -3.183 -4.492 -2.602 1.00 0.00 C ATOM 378 O SER A 24 -2.859 -3.749 -1.698 1.00 0.00 O ATOM 379 CB SER A 24 -2.517 -6.833 -3.236 1.00 0.00 C ATOM 380 OG SER A 24 -1.363 -7.595 -2.911 1.00 0.00 O ATOM 0 H SER A 24 -0.985 -4.853 -1.639 1.00 0.00 H new ATOM 0 HA SER A 24 -2.068 -5.083 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.290 -6.983 -2.483 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.931 -7.165 -4.188 1.00 0.00 H new ATOM 0 HG SER A 24 -1.363 -8.426 -3.431 1.00 0.00 H new ATOM 386 N LYS A 25 -4.416 -4.563 -2.994 1.00 0.00 N ATOM 387 CA LYS A 25 -5.455 -3.724 -2.331 1.00 0.00 C ATOM 388 C LYS A 25 -5.900 -4.364 -1.013 1.00 0.00 C ATOM 389 O LYS A 25 -6.396 -3.695 -0.129 1.00 0.00 O ATOM 390 CB LYS A 25 -6.663 -3.582 -3.251 1.00 0.00 C ATOM 391 CG LYS A 25 -7.243 -2.170 -3.116 1.00 0.00 C ATOM 392 CD LYS A 25 -7.557 -1.612 -4.504 1.00 0.00 C ATOM 393 CE LYS A 25 -8.529 -2.550 -5.221 1.00 0.00 C ATOM 394 NZ LYS A 25 -8.452 -2.318 -6.691 1.00 0.00 N ATOM 0 H LYS A 25 -4.756 -5.164 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.028 -2.743 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.371 -3.770 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.419 -4.324 -2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.148 -2.194 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.533 -1.521 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.992 -0.616 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.639 -1.510 -5.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.285 -3.587 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.545 -2.377 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.433 -3.232 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.283 -1.774 -7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.587 -1.785 -6.914 1.00 0.00 H new ATOM 408 N GLU A 26 -5.734 -5.650 -0.869 1.00 0.00 N ATOM 409 CA GLU A 26 -6.156 -6.311 0.394 1.00 0.00 C ATOM 410 C GLU A 26 -5.098 -6.068 1.469 1.00 0.00 C ATOM 411 O GLU A 26 -5.296 -6.375 2.628 1.00 0.00 O ATOM 412 CB GLU A 26 -6.309 -7.815 0.159 1.00 0.00 C ATOM 413 CG GLU A 26 -7.771 -8.217 0.357 1.00 0.00 C ATOM 414 CD GLU A 26 -8.185 -7.949 1.805 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.341 -8.072 2.677 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.343 -7.627 2.018 1.00 0.00 O ATOM 0 H GLU A 26 -5.326 -6.268 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.110 -5.898 0.720 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.984 -8.071 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.672 -8.368 0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.409 -7.654 -0.324 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.904 -9.272 0.119 1.00 0.00 H new ATOM 423 N GLU A 27 -3.976 -5.517 1.094 1.00 0.00 N ATOM 424 CA GLU A 27 -2.910 -5.257 2.098 1.00 0.00 C ATOM 425 C GLU A 27 -2.617 -3.761 2.160 1.00 0.00 C ATOM 426 O GLU A 27 -1.783 -3.320 2.926 1.00 0.00 O ATOM 427 CB GLU A 27 -1.637 -6.010 1.707 1.00 0.00 C ATOM 428 CG GLU A 27 -1.987 -7.454 1.345 1.00 0.00 C ATOM 429 CD GLU A 27 -2.838 -8.070 2.458 1.00 0.00 C ATOM 430 OE1 GLU A 27 -2.553 -7.800 3.614 1.00 0.00 O ATOM 431 OE2 GLU A 27 -3.759 -8.802 2.137 1.00 0.00 O ATOM 0 H GLU A 27 -3.753 -5.237 0.139 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.248 -5.601 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.157 -5.518 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.925 -5.993 2.532 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.530 -7.481 0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.076 -8.036 1.206 1.00 0.00 H new ATOM 438 N LEU A 28 -3.309 -2.964 1.391 1.00 0.00 N ATOM 439 CA LEU A 28 -3.074 -1.514 1.450 1.00 0.00 C ATOM 440 C LEU A 28 -4.056 -0.965 2.491 1.00 0.00 C ATOM 441 O LEU A 28 -3.810 0.021 3.146 1.00 0.00 O ATOM 442 CB LEU A 28 -3.291 -0.922 0.056 1.00 0.00 C ATOM 443 CG LEU A 28 -3.933 0.453 0.159 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.048 1.371 1.006 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.091 1.053 -1.240 1.00 0.00 C ATOM 0 H LEU A 28 -4.024 -3.265 0.729 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.057 -1.254 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.338 -0.847 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.926 -1.584 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.913 0.357 0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.510 2.356 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.936 0.948 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.068 1.464 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.551 2.038 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.111 1.146 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.723 0.403 -1.845 1.00 0.00 H new ATOM 457 N LYS A 29 -5.148 -1.661 2.668 1.00 0.00 N ATOM 458 CA LYS A 29 -6.153 -1.318 3.662 1.00 0.00 C ATOM 459 C LYS A 29 -5.521 -1.429 5.051 1.00 0.00 C ATOM 460 O LYS A 29 -5.529 -0.494 5.825 1.00 0.00 O ATOM 461 CB LYS A 29 -7.234 -2.353 3.518 1.00 0.00 C ATOM 462 CG LYS A 29 -8.180 -2.139 4.656 1.00 0.00 C ATOM 463 CD LYS A 29 -9.538 -2.737 4.330 1.00 0.00 C ATOM 464 CE LYS A 29 -10.274 -3.098 5.642 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.400 -4.026 5.336 1.00 0.00 N ATOM 0 H LYS A 29 -5.375 -2.493 2.124 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.543 -0.309 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.747 -2.248 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.815 -3.359 3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.781 -2.597 5.561 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.283 -1.073 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.130 -2.027 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.416 -3.627 3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.583 -3.565 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.652 -2.195 6.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.897 -4.271 6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.063 -3.564 4.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.027 -4.892 4.897 1.00 0.00 H new ATOM 479 N LEU A 30 -4.941 -2.567 5.362 1.00 0.00 N ATOM 480 CA LEU A 30 -4.282 -2.716 6.683 1.00 0.00 C ATOM 481 C LEU A 30 -3.123 -1.728 6.716 1.00 0.00 C ATOM 482 O LEU A 30 -2.640 -1.345 7.759 1.00 0.00 O ATOM 483 CB LEU A 30 -3.759 -4.147 6.848 1.00 0.00 C ATOM 484 CG LEU A 30 -4.701 -5.136 6.154 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.388 -6.554 6.628 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.154 -4.794 6.497 1.00 0.00 C ATOM 0 H LEU A 30 -4.900 -3.388 4.758 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.983 -2.519 7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.758 -4.228 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.677 -4.393 7.907 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.560 -5.071 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.058 -7.259 6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.356 -6.801 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.527 -6.616 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.821 -5.500 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.297 -4.856 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.379 -3.783 6.158 1.00 0.00 H new ATOM 498 N LEU A 31 -2.713 -1.289 5.555 1.00 0.00 N ATOM 499 CA LEU A 31 -1.625 -0.289 5.443 1.00 0.00 C ATOM 500 C LEU A 31 -2.123 0.970 6.093 1.00 0.00 C ATOM 501 O LEU A 31 -1.555 1.457 7.050 1.00 0.00 O ATOM 502 CB LEU A 31 -1.384 0.017 3.975 1.00 0.00 C ATOM 503 CG LEU A 31 0.116 0.029 3.663 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.882 0.714 4.799 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.607 -1.409 3.500 1.00 0.00 C ATOM 0 H LEU A 31 -3.100 -1.593 4.662 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.709 -0.657 5.906 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.883 -0.729 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.820 0.984 3.724 1.00 0.00 H new ATOM 0 HG LEU A 31 0.290 0.581 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.947 0.718 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.530 1.740 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.714 0.172 5.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.674 -1.406 3.278 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.430 -1.961 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.067 -1.887 2.683 1.00 0.00 H new ATOM 517 N LEU A 32 -3.219 1.493 5.592 1.00 0.00 N ATOM 518 CA LEU A 32 -3.781 2.693 6.206 1.00 0.00 C ATOM 519 C LEU A 32 -3.808 2.438 7.683 1.00 0.00 C ATOM 520 O LEU A 32 -3.102 3.014 8.431 1.00 0.00 O ATOM 521 CB LEU A 32 -5.214 2.903 5.778 1.00 0.00 C ATOM 522 CG LEU A 32 -5.315 3.106 4.293 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.731 1.791 3.655 1.00 0.00 C ATOM 524 CD2 LEU A 32 -6.390 4.143 4.057 1.00 0.00 C ATOM 0 H LEU A 32 -3.731 1.128 4.789 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.188 3.562 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.814 2.041 6.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.627 3.769 6.295 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.366 3.431 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.810 1.919 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.985 1.027 3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.697 1.482 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.496 4.320 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.337 3.784 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.114 5.073 4.553 1.00 0.00 H new ATOM 536 N GLN A 33 -4.635 1.547 8.090 1.00 0.00 N ATOM 537 CA GLN A 33 -4.734 1.249 9.564 1.00 0.00 C ATOM 538 C GLN A 33 -3.363 1.273 10.253 1.00 0.00 C ATOM 539 O GLN A 33 -3.266 1.694 11.389 1.00 0.00 O ATOM 540 CB GLN A 33 -5.361 -0.134 9.755 1.00 0.00 C ATOM 541 CG GLN A 33 -6.790 0.015 10.259 1.00 0.00 C ATOM 542 CD GLN A 33 -7.374 -1.363 10.581 1.00 0.00 C ATOM 543 OE1 GLN A 33 -7.885 -1.584 11.662 1.00 0.00 O ATOM 544 NE2 GLN A 33 -7.323 -2.305 9.675 1.00 0.00 N ATOM 0 H GLN A 33 -5.254 1.002 7.489 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.351 2.024 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.353 -0.681 8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.773 -0.715 10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -6.807 0.644 11.149 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.401 0.512 9.505 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.894 -2.118 8.769 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.712 -3.226 9.875 1.00 0.00 H new ATOM 553 N THR A 34 -2.311 0.841 9.607 1.00 0.00 N ATOM 554 CA THR A 34 -0.967 0.875 10.273 1.00 0.00 C ATOM 555 C THR A 34 -0.845 2.186 11.041 1.00 0.00 C ATOM 556 O THR A 34 -0.521 2.231 12.211 1.00 0.00 O ATOM 557 CB THR A 34 0.134 0.836 9.208 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.207 -0.105 8.203 1.00 0.00 O ATOM 559 CG2 THR A 34 1.464 0.450 9.855 1.00 0.00 C ATOM 0 H THR A 34 -2.319 0.469 8.657 1.00 0.00 H new ATOM 0 HA THR A 34 -0.865 0.020 10.942 1.00 0.00 H new ATOM 0 HB THR A 34 0.232 1.822 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.494 -0.787 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.244 0.423 9.094 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.725 1.185 10.617 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.373 -0.534 10.316 1.00 0.00 H new ATOM 567 N GLU A 35 -1.112 3.246 10.353 1.00 0.00 N ATOM 568 CA GLU A 35 -1.044 4.606 10.943 1.00 0.00 C ATOM 569 C GLU A 35 -2.418 5.265 10.752 1.00 0.00 C ATOM 570 O GLU A 35 -2.894 6.019 11.574 1.00 0.00 O ATOM 571 CB GLU A 35 0.035 5.400 10.191 1.00 0.00 C ATOM 572 CG GLU A 35 0.977 4.432 9.438 1.00 0.00 C ATOM 573 CD GLU A 35 1.879 5.227 8.493 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.551 6.129 8.964 1.00 0.00 O ATOM 575 OE2 GLU A 35 1.882 4.920 7.312 1.00 0.00 O ATOM 0 H GLU A 35 -1.385 3.230 9.370 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.794 4.575 12.004 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.433 6.087 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.608 6.005 10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.583 3.871 10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.393 3.705 8.874 1.00 0.00 H new ATOM 582 N PHE A 36 -3.013 4.971 9.630 1.00 0.00 N ATOM 583 CA PHE A 36 -4.354 5.512 9.225 1.00 0.00 C ATOM 584 C PHE A 36 -5.532 4.549 9.523 1.00 0.00 C ATOM 585 O PHE A 36 -6.156 4.085 8.601 1.00 0.00 O ATOM 586 CB PHE A 36 -4.354 5.662 7.705 1.00 0.00 C ATOM 587 CG PHE A 36 -3.364 6.707 7.257 1.00 0.00 C ATOM 588 CD1 PHE A 36 -3.660 8.069 7.363 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.140 6.294 6.718 1.00 0.00 C ATOM 590 CE1 PHE A 36 -2.726 9.022 6.929 1.00 0.00 C ATOM 591 CE2 PHE A 36 -1.209 7.242 6.284 1.00 0.00 C ATOM 592 CZ PHE A 36 -1.498 8.605 6.388 1.00 0.00 C ATOM 0 H PHE A 36 -2.605 4.344 8.937 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.494 6.437 9.784 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.110 4.705 7.243 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.353 5.935 7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.605 8.387 7.778 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.915 5.241 6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.951 10.075 7.011 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.266 6.921 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.778 9.337 6.053 1.00 0.00 H new ATOM 602 N PRO A 37 -5.862 4.339 10.762 1.00 0.00 N ATOM 603 CA PRO A 37 -7.018 3.510 11.140 1.00 0.00 C ATOM 604 C PRO A 37 -8.233 3.878 10.271 1.00 0.00 C ATOM 605 O PRO A 37 -9.134 3.084 10.089 1.00 0.00 O ATOM 606 CB PRO A 37 -7.256 3.848 12.617 1.00 0.00 C ATOM 607 CG PRO A 37 -6.047 4.695 13.089 1.00 0.00 C ATOM 608 CD PRO A 37 -5.130 4.894 11.872 1.00 0.00 C ATOM 0 HA PRO A 37 -6.852 2.443 10.993 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.187 4.402 12.741 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -7.345 2.939 13.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.380 5.656 13.481 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.514 4.190 13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.909 5.949 11.712 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.175 4.386 12.009 1.00 0.00 H new ATOM 616 N SER A 38 -8.252 5.066 9.710 1.00 0.00 N ATOM 617 CA SER A 38 -9.391 5.456 8.823 1.00 0.00 C ATOM 618 C SER A 38 -9.188 4.766 7.491 1.00 0.00 C ATOM 619 O SER A 38 -8.613 5.307 6.567 1.00 0.00 O ATOM 620 CB SER A 38 -9.417 6.974 8.640 1.00 0.00 C ATOM 621 OG SER A 38 -8.131 7.419 8.234 1.00 0.00 O ATOM 0 H SER A 38 -7.531 5.777 9.829 1.00 0.00 H new ATOM 0 HA SER A 38 -10.342 5.157 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.162 7.249 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.705 7.460 9.572 1.00 0.00 H new ATOM 0 HG SER A 38 -7.806 6.855 7.501 1.00 0.00 H new ATOM 627 N LEU A 39 -9.603 3.540 7.416 1.00 0.00 N ATOM 628 CA LEU A 39 -9.378 2.761 6.184 1.00 0.00 C ATOM 629 C LEU A 39 -10.402 3.005 5.119 1.00 0.00 C ATOM 630 O LEU A 39 -11.272 2.191 4.889 1.00 0.00 O ATOM 631 CB LEU A 39 -9.330 1.281 6.512 1.00 0.00 C ATOM 632 CG LEU A 39 -7.887 0.951 6.827 1.00 0.00 C ATOM 633 CD1 LEU A 39 -7.363 2.001 7.804 1.00 0.00 C ATOM 634 CD2 LEU A 39 -7.793 -0.433 7.449 1.00 0.00 C ATOM 0 H LEU A 39 -10.091 3.043 8.161 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.423 3.099 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.973 1.052 7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.688 0.687 5.671 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.291 0.956 5.914 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.323 1.785 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.431 2.989 7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.960 1.980 8.715 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.751 -0.662 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.375 -0.458 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.185 -1.173 6.751 1.00 0.00 H new ATOM 646 N LEU A 40 -10.248 4.052 4.384 1.00 0.00 N ATOM 647 CA LEU A 40 -11.170 4.229 3.258 1.00 0.00 C ATOM 648 C LEU A 40 -12.603 4.322 3.777 1.00 0.00 C ATOM 649 O LEU A 40 -13.147 3.382 4.320 1.00 0.00 O ATOM 650 CB LEU A 40 -10.972 2.990 2.387 1.00 0.00 C ATOM 651 CG LEU A 40 -9.467 2.609 2.399 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.212 1.530 1.351 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.660 3.860 2.050 1.00 0.00 C ATOM 0 H LEU A 40 -9.541 4.776 4.510 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.981 5.142 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.574 2.163 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.304 3.188 1.368 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.176 2.231 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.156 1.260 1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.813 0.650 1.581 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.485 1.908 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.597 3.619 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.950 4.216 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.857 4.638 2.788 1.00 0.00 H new ATOM 767 N GLU A 48 -7.942 5.954 -5.384 1.00 0.00 N ATOM 768 CA GLU A 48 -7.181 6.559 -6.497 1.00 0.00 C ATOM 769 C GLU A 48 -5.713 6.514 -6.099 1.00 0.00 C ATOM 770 O GLU A 48 -4.827 6.794 -6.882 1.00 0.00 O ATOM 771 CB GLU A 48 -7.616 8.004 -6.709 1.00 0.00 C ATOM 772 CG GLU A 48 -7.894 8.213 -8.191 1.00 0.00 C ATOM 773 CD GLU A 48 -8.485 9.606 -8.415 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.935 10.200 -7.448 1.00 0.00 O ATOM 775 OE2 GLU A 48 -8.479 10.055 -9.549 1.00 0.00 O ATOM 0 HA GLU A 48 -7.356 6.018 -7.427 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.509 8.221 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.838 8.687 -6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.972 8.103 -8.763 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.586 7.452 -8.552 1.00 0.00 H new ATOM 782 N LEU A 49 -5.458 6.117 -4.881 1.00 0.00 N ATOM 783 CA LEU A 49 -4.067 5.993 -4.402 1.00 0.00 C ATOM 784 C LEU A 49 -3.520 4.713 -5.010 1.00 0.00 C ATOM 785 O LEU A 49 -2.336 4.545 -5.210 1.00 0.00 O ATOM 786 CB LEU A 49 -4.089 5.887 -2.879 1.00 0.00 C ATOM 787 CG LEU A 49 -2.750 6.353 -2.301 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.771 7.871 -2.121 1.00 0.00 C ATOM 789 CD2 LEU A 49 -2.523 5.685 -0.943 1.00 0.00 C ATOM 0 H LEU A 49 -6.171 5.872 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.452 6.847 -4.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.899 6.494 -2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.284 4.857 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.945 6.079 -2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.817 8.202 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.935 8.350 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.575 8.145 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.570 6.015 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.329 5.961 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.508 4.602 -1.068 1.00 0.00 H new ATOM 801 N PHE A 50 -4.412 3.820 -5.322 1.00 0.00 N ATOM 802 CA PHE A 50 -4.015 2.533 -5.945 1.00 0.00 C ATOM 803 C PHE A 50 -3.704 2.774 -7.422 1.00 0.00 C ATOM 804 O PHE A 50 -2.755 2.244 -7.964 1.00 0.00 O ATOM 805 CB PHE A 50 -5.171 1.544 -5.821 1.00 0.00 C ATOM 806 CG PHE A 50 -4.719 0.184 -6.290 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.661 -0.465 -5.642 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.355 -0.429 -7.375 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.241 -1.727 -6.077 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.935 -1.691 -7.812 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.878 -2.341 -7.163 1.00 0.00 C ATOM 0 H PHE A 50 -5.414 3.930 -5.169 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.134 2.129 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.509 1.490 -4.786 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.019 1.883 -6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.169 0.009 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.170 0.072 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.426 -2.227 -5.576 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.426 -2.163 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.554 -3.315 -7.499 1.00 0.00 H new ATOM 821 N GLU A 51 -4.495 3.583 -8.075 1.00 0.00 N ATOM 822 CA GLU A 51 -4.240 3.875 -9.511 1.00 0.00 C ATOM 823 C GLU A 51 -2.962 4.707 -9.620 1.00 0.00 C ATOM 824 O GLU A 51 -2.268 4.675 -10.617 1.00 0.00 O ATOM 825 CB GLU A 51 -5.420 4.660 -10.088 1.00 0.00 C ATOM 826 CG GLU A 51 -5.422 4.536 -11.611 1.00 0.00 C ATOM 827 CD GLU A 51 -5.050 5.884 -12.232 1.00 0.00 C ATOM 828 OE1 GLU A 51 -5.735 6.853 -11.951 1.00 0.00 O ATOM 829 OE2 GLU A 51 -4.085 5.923 -12.977 1.00 0.00 O ATOM 0 H GLU A 51 -5.306 4.053 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.125 2.946 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.357 4.280 -9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.349 5.708 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.713 3.770 -11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.406 4.222 -11.960 1.00 0.00 H new ATOM 836 N GLU A 52 -2.644 5.445 -8.591 1.00 0.00 N ATOM 837 CA GLU A 52 -1.407 6.272 -8.620 1.00 0.00 C ATOM 838 C GLU A 52 -0.188 5.354 -8.513 1.00 0.00 C ATOM 839 O GLU A 52 0.942 5.790 -8.620 1.00 0.00 O ATOM 840 CB GLU A 52 -1.417 7.251 -7.444 1.00 0.00 C ATOM 841 CG GLU A 52 -1.631 8.677 -7.962 1.00 0.00 C ATOM 842 CD GLU A 52 -2.680 9.380 -7.100 1.00 0.00 C ATOM 843 OE1 GLU A 52 -2.614 9.242 -5.889 1.00 0.00 O ATOM 844 OE2 GLU A 52 -3.533 10.046 -7.664 1.00 0.00 O ATOM 0 H GLU A 52 -3.189 5.510 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.363 6.833 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.209 6.985 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.475 7.189 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.692 9.230 -7.935 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.956 8.653 -9.002 1.00 0.00 H new ATOM 851 N LEU A 53 -0.407 4.080 -8.314 1.00 0.00 N ATOM 852 CA LEU A 53 0.740 3.134 -8.217 1.00 0.00 C ATOM 853 C LEU A 53 0.339 1.774 -8.794 1.00 0.00 C ATOM 854 O LEU A 53 1.020 0.787 -8.614 1.00 0.00 O ATOM 855 CB LEU A 53 1.188 2.966 -6.756 1.00 0.00 C ATOM 856 CG LEU A 53 -0.003 3.086 -5.805 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.086 1.832 -4.935 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.192 4.313 -4.910 1.00 0.00 C ATOM 0 H LEU A 53 -1.329 3.656 -8.215 1.00 0.00 H new ATOM 0 HA LEU A 53 1.573 3.542 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.666 1.995 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.933 3.723 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.923 3.191 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.935 1.916 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.215 0.956 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.832 1.729 -4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.654 4.405 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.111 4.201 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.258 5.208 -5.529 1.00 0.00 H new ATOM 870 N ASP A 54 -0.756 1.713 -9.497 1.00 0.00 N ATOM 871 CA ASP A 54 -1.183 0.418 -10.093 1.00 0.00 C ATOM 872 C ASP A 54 -0.371 0.164 -11.364 1.00 0.00 C ATOM 873 O ASP A 54 0.056 1.085 -12.033 1.00 0.00 O ATOM 874 CB ASP A 54 -2.671 0.480 -10.439 1.00 0.00 C ATOM 875 CG ASP A 54 -3.195 -0.933 -10.700 1.00 0.00 C ATOM 876 OD1 ASP A 54 -2.519 -1.875 -10.318 1.00 0.00 O ATOM 877 OD2 ASP A 54 -4.263 -1.049 -11.279 1.00 0.00 O ATOM 0 H ASP A 54 -1.373 2.503 -9.685 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.014 -0.390 -9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.226 0.940 -9.621 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.825 1.104 -11.319 1.00 0.00 H new ATOM 882 N LYS A 55 -0.149 -1.074 -11.703 1.00 0.00 N ATOM 883 CA LYS A 55 0.641 -1.380 -12.929 1.00 0.00 C ATOM 884 C LYS A 55 -0.308 -1.631 -14.104 1.00 0.00 C ATOM 885 O LYS A 55 -0.574 -0.753 -14.901 1.00 0.00 O ATOM 886 CB LYS A 55 1.496 -2.625 -12.686 1.00 0.00 C ATOM 887 CG LYS A 55 2.668 -2.268 -11.768 1.00 0.00 C ATOM 888 CD LYS A 55 3.947 -2.130 -12.598 1.00 0.00 C ATOM 889 CE LYS A 55 4.237 -3.459 -13.337 1.00 0.00 C ATOM 890 NZ LYS A 55 5.705 -3.581 -13.570 1.00 0.00 N ATOM 0 H LYS A 55 -0.480 -1.888 -11.185 1.00 0.00 H new ATOM 0 HA LYS A 55 1.288 -0.535 -13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.892 -3.411 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.868 -3.014 -13.634 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.461 -1.336 -11.243 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.797 -3.040 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.839 -1.319 -13.318 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.786 -1.872 -11.951 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.879 -4.303 -12.747 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.703 -3.485 -14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.905 -4.473 -14.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.032 -2.782 -14.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.203 -3.574 -12.657 1.00 0.00 H new ATOM 904 N ASN A 56 -0.822 -2.826 -14.218 1.00 0.00 N ATOM 905 CA ASN A 56 -1.756 -3.135 -15.341 1.00 0.00 C ATOM 906 C ASN A 56 -3.159 -3.366 -14.783 1.00 0.00 C ATOM 907 O ASN A 56 -4.020 -2.512 -14.861 1.00 0.00 O ATOM 908 CB ASN A 56 -1.291 -4.401 -16.077 1.00 0.00 C ATOM 909 CG ASN A 56 -0.355 -5.220 -15.180 1.00 0.00 C ATOM 910 OD1 ASN A 56 0.793 -4.864 -15.002 1.00 0.00 O ATOM 911 ND2 ASN A 56 -0.795 -6.308 -14.603 1.00 0.00 N ATOM 0 H ASN A 56 -0.636 -3.602 -13.583 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.767 -2.297 -16.038 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.154 -5.003 -16.361 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.777 -4.127 -16.998 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.175 -6.855 -14.006 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.758 -6.610 -14.750 1.00 0.00 H new ATOM 918 N GLY A 57 -3.391 -4.516 -14.218 1.00 0.00 N ATOM 919 CA GLY A 57 -4.733 -4.820 -13.649 1.00 0.00 C ATOM 920 C GLY A 57 -4.678 -6.167 -12.931 1.00 0.00 C ATOM 921 O GLY A 57 -5.502 -7.033 -13.143 1.00 0.00 O ATOM 0 H GLY A 57 -2.704 -5.264 -14.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.033 -4.036 -12.954 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.480 -4.847 -14.442 1.00 0.00 H new ATOM 925 N ASP A 58 -3.714 -6.345 -12.072 1.00 0.00 N ATOM 926 CA ASP A 58 -3.603 -7.626 -11.329 1.00 0.00 C ATOM 927 C ASP A 58 -3.867 -7.357 -9.850 1.00 0.00 C ATOM 928 O ASP A 58 -4.008 -8.267 -9.057 1.00 0.00 O ATOM 929 CB ASP A 58 -2.206 -8.216 -11.510 1.00 0.00 C ATOM 930 CG ASP A 58 -2.191 -9.119 -12.743 1.00 0.00 C ATOM 931 OD1 ASP A 58 -2.411 -8.609 -13.830 1.00 0.00 O ATOM 932 OD2 ASP A 58 -1.958 -10.306 -12.582 1.00 0.00 O ATOM 0 H ASP A 58 -2.996 -5.654 -11.853 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.332 -8.340 -11.712 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.474 -7.417 -11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.923 -8.786 -10.625 1.00 0.00 H new ATOM 937 N GLY A 59 -3.948 -6.108 -9.475 1.00 0.00 N ATOM 938 CA GLY A 59 -4.218 -5.782 -8.053 1.00 0.00 C ATOM 939 C GLY A 59 -2.924 -5.843 -7.238 1.00 0.00 C ATOM 940 O GLY A 59 -2.950 -6.058 -6.042 1.00 0.00 O ATOM 0 H GLY A 59 -3.839 -5.304 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.656 -4.787 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.946 -6.483 -7.644 1.00 0.00 H new ATOM 944 N GLU A 60 -1.791 -5.654 -7.861 1.00 0.00 N ATOM 945 CA GLU A 60 -0.518 -5.702 -7.089 1.00 0.00 C ATOM 946 C GLU A 60 0.410 -4.573 -7.525 1.00 0.00 C ATOM 947 O GLU A 60 0.397 -4.138 -8.659 1.00 0.00 O ATOM 948 CB GLU A 60 0.181 -7.041 -7.317 1.00 0.00 C ATOM 949 CG GLU A 60 1.607 -6.980 -6.760 1.00 0.00 C ATOM 950 CD GLU A 60 2.356 -8.263 -7.127 1.00 0.00 C ATOM 951 OE1 GLU A 60 1.698 -9.235 -7.460 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.575 -8.251 -7.069 1.00 0.00 O ATOM 0 H GLU A 60 -1.693 -5.471 -8.860 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.753 -5.587 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.376 -7.841 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.206 -7.273 -8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.130 -6.113 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.581 -6.859 -5.677 1.00 0.00 H new ATOM 959 N VAL A 61 1.232 -4.115 -6.625 1.00 0.00 N ATOM 960 CA VAL A 61 2.187 -3.032 -6.963 1.00 0.00 C ATOM 961 C VAL A 61 3.606 -3.563 -6.761 1.00 0.00 C ATOM 962 O VAL A 61 3.835 -4.755 -6.715 1.00 0.00 O ATOM 963 CB VAL A 61 1.950 -1.822 -6.046 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.929 -0.881 -6.681 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.429 -2.294 -4.691 1.00 0.00 C ATOM 0 H VAL A 61 1.282 -4.449 -5.662 1.00 0.00 H new ATOM 0 HA VAL A 61 2.046 -2.718 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 61 2.893 -1.293 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.766 -0.025 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.304 -0.534 -7.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.012 -1.411 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.263 -1.432 -4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.490 -2.831 -4.829 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.161 -2.957 -4.230 1.00 0.00 H new ATOM 975 N SER A 62 4.552 -2.690 -6.636 1.00 0.00 N ATOM 976 CA SER A 62 5.954 -3.123 -6.431 1.00 0.00 C ATOM 977 C SER A 62 6.600 -2.156 -5.442 1.00 0.00 C ATOM 978 O SER A 62 5.957 -1.258 -4.951 1.00 0.00 O ATOM 979 CB SER A 62 6.694 -3.057 -7.771 1.00 0.00 C ATOM 980 OG SER A 62 7.177 -1.728 -7.979 1.00 0.00 O ATOM 0 H SER A 62 4.414 -1.680 -6.667 1.00 0.00 H new ATOM 0 HA SER A 62 5.996 -4.142 -6.047 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.524 -3.763 -7.776 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.026 -3.345 -8.583 1.00 0.00 H new ATOM 0 HG SER A 62 7.652 -1.683 -8.835 1.00 0.00 H new ATOM 986 N PHE A 63 7.853 -2.317 -5.146 1.00 0.00 N ATOM 987 CA PHE A 63 8.515 -1.381 -4.194 1.00 0.00 C ATOM 988 C PHE A 63 8.943 -0.131 -4.956 1.00 0.00 C ATOM 989 O PHE A 63 9.010 0.953 -4.412 1.00 0.00 O ATOM 990 CB PHE A 63 9.737 -2.075 -3.607 1.00 0.00 C ATOM 991 CG PHE A 63 10.225 -1.378 -2.357 1.00 0.00 C ATOM 992 CD1 PHE A 63 9.358 -1.184 -1.274 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.557 -0.952 -2.267 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.819 -0.569 -0.107 1.00 0.00 C ATOM 995 CE2 PHE A 63 12.018 -0.330 -1.099 1.00 0.00 C ATOM 996 CZ PHE A 63 11.148 -0.139 -0.017 1.00 0.00 C ATOM 0 H PHE A 63 8.451 -3.054 -5.519 1.00 0.00 H new ATOM 0 HA PHE A 63 7.834 -1.099 -3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.491 -3.111 -3.374 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.536 -2.096 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.331 -1.511 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 63 12.229 -1.103 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.148 -0.425 0.727 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.044 0.002 -1.033 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.502 0.339 0.884 1.00 0.00 H new ATOM 1006 N GLU A 64 9.219 -0.276 -6.223 1.00 0.00 N ATOM 1007 CA GLU A 64 9.626 0.899 -7.040 1.00 0.00 C ATOM 1008 C GLU A 64 8.390 1.759 -7.310 1.00 0.00 C ATOM 1009 O GLU A 64 8.482 2.949 -7.536 1.00 0.00 O ATOM 1010 CB GLU A 64 10.214 0.422 -8.370 1.00 0.00 C ATOM 1011 CG GLU A 64 11.126 1.506 -8.941 1.00 0.00 C ATOM 1012 CD GLU A 64 12.414 1.570 -8.121 1.00 0.00 C ATOM 1013 OE1 GLU A 64 12.634 0.669 -7.329 1.00 0.00 O ATOM 1014 OE2 GLU A 64 13.159 2.520 -8.297 1.00 0.00 O ATOM 0 H GLU A 64 9.180 -1.161 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 64 10.377 1.480 -6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.776 -0.500 -8.222 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.413 0.197 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.356 1.290 -9.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.620 2.471 -8.919 1.00 0.00 H new ATOM 1021 N GLU A 65 7.232 1.155 -7.289 1.00 0.00 N ATOM 1022 CA GLU A 65 5.986 1.905 -7.543 1.00 0.00 C ATOM 1023 C GLU A 65 5.345 2.283 -6.198 1.00 0.00 C ATOM 1024 O GLU A 65 4.644 3.269 -6.078 1.00 0.00 O ATOM 1025 CB GLU A 65 5.060 1.006 -8.346 1.00 0.00 C ATOM 1026 CG GLU A 65 3.687 1.626 -8.380 1.00 0.00 C ATOM 1027 CD GLU A 65 3.778 3.014 -9.018 1.00 0.00 C ATOM 1028 OE1 GLU A 65 3.812 3.083 -10.235 1.00 0.00 O ATOM 1029 OE2 GLU A 65 3.813 3.983 -8.278 1.00 0.00 O ATOM 0 H GLU A 65 7.104 0.160 -7.103 1.00 0.00 H new ATOM 0 HA GLU A 65 6.182 2.821 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.442 0.880 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.015 0.014 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.004 0.995 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.284 1.702 -7.370 1.00 0.00 H new ATOM 1036 N PHE A 66 5.618 1.507 -5.177 1.00 0.00 N ATOM 1037 CA PHE A 66 5.085 1.790 -3.802 1.00 0.00 C ATOM 1038 C PHE A 66 5.796 3.022 -3.215 1.00 0.00 C ATOM 1039 O PHE A 66 5.624 3.354 -2.063 1.00 0.00 O ATOM 1040 CB PHE A 66 5.391 0.568 -2.917 1.00 0.00 C ATOM 1041 CG PHE A 66 4.729 0.693 -1.564 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.342 0.590 -1.469 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.497 0.932 -0.411 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.705 0.733 -0.230 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.860 1.066 0.831 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.466 0.974 0.919 1.00 0.00 C ATOM 0 H PHE A 66 6.200 0.671 -5.238 1.00 0.00 H new ATOM 0 HA PHE A 66 4.013 1.982 -3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.044 -0.339 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.469 0.469 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.756 0.399 -2.356 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.572 1.012 -0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.630 0.657 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.446 1.241 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.977 1.089 1.875 1.00 0.00 H new ATOM 1056 N GLN A 67 6.598 3.689 -4.006 1.00 0.00 N ATOM 1057 CA GLN A 67 7.348 4.894 -3.518 1.00 0.00 C ATOM 1058 C GLN A 67 6.446 6.118 -3.551 1.00 0.00 C ATOM 1059 O GLN A 67 6.501 6.976 -2.694 1.00 0.00 O ATOM 1060 CB GLN A 67 8.567 5.156 -4.407 1.00 0.00 C ATOM 1061 CG GLN A 67 9.421 3.894 -4.518 1.00 0.00 C ATOM 1062 CD GLN A 67 10.381 3.803 -3.319 1.00 0.00 C ATOM 1063 OE1 GLN A 67 11.253 4.638 -3.175 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.268 2.831 -2.441 1.00 0.00 N ATOM 0 H GLN A 67 6.769 3.449 -4.982 1.00 0.00 H new ATOM 0 HA GLN A 67 7.675 4.703 -2.496 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.242 5.472 -5.398 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.161 5.970 -3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.780 3.013 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.988 3.909 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.540 2.125 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.908 2.783 -1.649 1.00 0.00 H new ATOM 1073 N VAL A 68 5.626 6.209 -4.544 1.00 0.00 N ATOM 1074 CA VAL A 68 4.714 7.382 -4.637 1.00 0.00 C ATOM 1075 C VAL A 68 3.977 7.527 -3.304 1.00 0.00 C ATOM 1076 O VAL A 68 3.596 8.605 -2.898 1.00 0.00 O ATOM 1077 CB VAL A 68 3.706 7.157 -5.759 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.154 8.506 -6.212 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.402 6.466 -6.935 1.00 0.00 C ATOM 0 H VAL A 68 5.541 5.528 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 68 5.284 8.286 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 68 2.890 6.529 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.432 8.353 -7.014 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.664 8.999 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.971 9.131 -6.573 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.684 6.304 -7.739 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.215 7.095 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.803 5.507 -6.608 1.00 0.00 H new ATOM 1089 N LEU A 69 3.796 6.433 -2.622 1.00 0.00 N ATOM 1090 CA LEU A 69 3.108 6.453 -1.299 1.00 0.00 C ATOM 1091 C LEU A 69 4.145 6.705 -0.228 1.00 0.00 C ATOM 1092 O LEU A 69 3.858 7.202 0.838 1.00 0.00 O ATOM 1093 CB LEU A 69 2.544 5.063 -1.031 1.00 0.00 C ATOM 1094 CG LEU A 69 1.159 5.105 -0.359 1.00 0.00 C ATOM 1095 CD1 LEU A 69 1.117 4.030 0.726 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.880 6.468 0.291 1.00 0.00 C ATOM 0 H LEU A 69 4.100 5.509 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 69 2.328 7.215 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.471 4.517 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.236 4.511 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 69 0.402 4.933 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.143 4.044 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.283 3.052 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.895 4.227 1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.107 6.455 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.635 6.670 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.914 7.248 -0.470 1.00 0.00 H new ATOM 1108 N VAL A 70 5.344 6.304 -0.500 1.00 0.00 N ATOM 1109 CA VAL A 70 6.427 6.465 0.488 1.00 0.00 C ATOM 1110 C VAL A 70 6.576 7.953 0.834 1.00 0.00 C ATOM 1111 O VAL A 70 6.761 8.321 1.976 1.00 0.00 O ATOM 1112 CB VAL A 70 7.720 5.928 -0.121 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.924 6.355 0.717 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.651 4.406 -0.163 1.00 0.00 C ATOM 0 H VAL A 70 5.623 5.865 -1.378 1.00 0.00 H new ATOM 0 HA VAL A 70 6.200 5.915 1.401 1.00 0.00 H new ATOM 0 HB VAL A 70 7.834 6.330 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.837 5.963 0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.975 7.443 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.820 5.963 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.570 4.012 -0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.532 4.019 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.801 4.097 -0.772 1.00 0.00 H new ATOM 1124 N LYS A 71 6.472 8.815 -0.147 1.00 0.00 N ATOM 1125 CA LYS A 71 6.585 10.282 0.125 1.00 0.00 C ATOM 1126 C LYS A 71 5.239 10.801 0.643 1.00 0.00 C ATOM 1127 O LYS A 71 4.997 11.989 0.713 1.00 0.00 O ATOM 1128 CB LYS A 71 6.958 11.017 -1.165 1.00 0.00 C ATOM 1129 CG LYS A 71 6.107 10.488 -2.320 1.00 0.00 C ATOM 1130 CD LYS A 71 6.225 11.434 -3.514 1.00 0.00 C ATOM 1131 CE LYS A 71 4.859 11.580 -4.185 1.00 0.00 C ATOM 1132 NZ LYS A 71 5.035 11.628 -5.664 1.00 0.00 N ATOM 0 H LYS A 71 6.314 8.567 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 71 7.358 10.458 0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.799 12.089 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.016 10.874 -1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.437 9.488 -2.601 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.065 10.405 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.587 12.408 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.953 11.048 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.216 10.743 -3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.366 12.488 -3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.106 11.727 -6.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.634 12.440 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.488 10.750 -5.988 1.00 0.00 H new ATOM 1146 N LYS A 72 4.370 9.904 1.018 1.00 0.00 N ATOM 1147 CA LYS A 72 3.044 10.285 1.547 1.00 0.00 C ATOM 1148 C LYS A 72 3.018 9.984 3.047 1.00 0.00 C ATOM 1149 O LYS A 72 1.995 10.088 3.695 1.00 0.00 O ATOM 1150 CB LYS A 72 1.976 9.442 0.854 1.00 0.00 C ATOM 1151 CG LYS A 72 1.172 10.317 -0.101 1.00 0.00 C ATOM 1152 CD LYS A 72 2.077 10.813 -1.229 1.00 0.00 C ATOM 1153 CE LYS A 72 1.275 11.720 -2.165 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.232 10.918 -2.868 1.00 0.00 N ATOM 0 H LYS A 72 4.535 8.898 0.976 1.00 0.00 H new ATOM 0 HA LYS A 72 2.854 11.344 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.443 8.623 0.307 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.315 8.993 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.337 9.750 -0.514 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.747 11.164 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.926 11.358 -0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.482 9.967 -1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.808 12.524 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.939 12.188 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.125 11.453 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.645 10.022 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.552 10.719 -2.214 1.00 0.00 H new ATOM 1168 N ILE A 73 4.132 9.564 3.595 1.00 0.00 N ATOM 1169 CA ILE A 73 4.166 9.200 5.038 1.00 0.00 C ATOM 1170 C ILE A 73 5.193 9.978 5.800 1.00 0.00 C ATOM 1171 O ILE A 73 4.952 10.463 6.887 1.00 0.00 O ATOM 1172 CB ILE A 73 4.652 7.767 5.204 1.00 0.00 C ATOM 1173 CG1 ILE A 73 4.432 6.973 3.934 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.962 7.133 6.385 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.955 6.612 3.789 1.00 0.00 C ATOM 0 H ILE A 73 5.018 9.459 3.101 1.00 0.00 H new ATOM 0 HA ILE A 73 3.154 9.382 5.400 1.00 0.00 H new ATOM 0 HB ILE A 73 5.725 7.771 5.396 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.759 7.554 3.072 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.036 6.066 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.311 6.107 6.503 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.191 7.700 7.287 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.885 7.133 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.808 6.041 2.872 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.641 6.013 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.360 7.524 3.747 1.00 0.00 H new ATOM 1187 N SER A 74 6.383 9.954 5.298 1.00 0.00 N ATOM 1188 CA SER A 74 7.489 10.529 6.051 1.00 0.00 C ATOM 1189 C SER A 74 7.068 11.821 6.765 1.00 0.00 C ATOM 1190 O SER A 74 7.528 12.118 7.849 1.00 0.00 O ATOM 1191 CB SER A 74 8.670 10.810 5.128 1.00 0.00 C ATOM 1192 OG SER A 74 8.561 12.131 4.614 1.00 0.00 O ATOM 0 H SER A 74 6.629 9.556 4.392 1.00 0.00 H new ATOM 0 HA SER A 74 7.787 9.803 6.807 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.607 10.696 5.673 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.687 10.090 4.310 1.00 0.00 H new ATOM 0 HG SER A 74 9.320 12.315 4.022 1.00 0.00 H new ATOM 1198 N GLN A 75 6.203 12.592 6.163 1.00 0.00 N ATOM 1199 CA GLN A 75 5.762 13.862 6.807 1.00 0.00 C ATOM 1200 C GLN A 75 4.370 14.239 6.295 1.00 0.00 C ATOM 1201 O GLN A 75 3.722 13.381 5.716 1.00 0.00 O ATOM 1202 CB GLN A 75 6.752 14.980 6.464 1.00 0.00 C ATOM 1203 CG GLN A 75 6.854 15.952 7.642 1.00 0.00 C ATOM 1204 CD GLN A 75 8.224 16.633 7.628 1.00 0.00 C ATOM 1205 OE1 GLN A 75 9.076 16.325 8.438 1.00 0.00 O ATOM 1206 NE2 GLN A 75 8.474 17.552 6.736 1.00 0.00 N ATOM 1207 OXT GLN A 75 3.977 15.378 6.489 1.00 0.00 O ATOM 0 H GLN A 75 5.783 12.397 5.254 1.00 0.00 H new ATOM 0 HA GLN A 75 5.727 13.727 7.888 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.732 14.557 6.242 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.423 15.509 5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 75 6.064 16.700 7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.712 15.417 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.759 17.811 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.384 18.012 6.719 1.00 0.00 H new