USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 552 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 23 TYR OH : rot -9:sc= 1.18 USER MOD Set 1.2: A 55 SER OG : rot -10:sc= 1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.443 K(o=0.44,f=-2.9!) USER MOD Single : A 7 THR OG1 : rot 127:sc= 1.21 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.22) USER MOD Single : A 26 GLN : amide:sc= 0.536 K(o=0.54,f=-2.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0121 USER MOD Single : A 31 HIS : no HD1:sc= -0.0951 K(o=-0.095,f=-0.68) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -4.61! C(o=-4.6!,f=-4.7!) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= -0.249 (180deg=-0.357) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= -0.0179 (180deg=-0.119) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -84:sc= 0.00264 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0346 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 8.905 -0.610 2.458 1.00 0.00 N ATOM 48 CA ASP A 3 8.368 -0.515 1.122 1.00 0.00 C ATOM 49 C ASP A 3 6.852 -0.430 1.218 1.00 0.00 C ATOM 50 O ASP A 3 6.264 -0.697 2.270 1.00 0.00 O ATOM 51 CB ASP A 3 8.820 -1.702 0.281 1.00 0.00 C ATOM 52 CG ASP A 3 7.964 -2.942 0.478 1.00 0.00 C ATOM 53 OD1 ASP A 3 6.857 -2.992 -0.101 1.00 0.00 O ATOM 54 OD2 ASP A 3 8.431 -3.858 1.200 1.00 0.00 O ATOM 0 HA ASP A 3 8.740 0.381 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.801 -1.420 -0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.854 -1.940 0.529 1.00 0.00 H new ATOM 59 N TYR A 4 6.234 -0.027 0.112 1.00 0.00 N ATOM 60 CA TYR A 4 4.823 0.312 0.063 1.00 0.00 C ATOM 61 C TYR A 4 4.148 -0.544 -1.006 1.00 0.00 C ATOM 62 O TYR A 4 3.146 -1.195 -0.715 1.00 0.00 O ATOM 63 CB TYR A 4 4.653 1.831 -0.137 1.00 0.00 C ATOM 64 CG TYR A 4 5.056 2.678 1.075 1.00 0.00 C ATOM 65 CD1 TYR A 4 6.384 2.738 1.553 1.00 0.00 C ATOM 66 CD2 TYR A 4 4.060 3.375 1.778 1.00 0.00 C ATOM 67 CE1 TYR A 4 6.685 3.389 2.766 1.00 0.00 C ATOM 68 CE2 TYR A 4 4.343 4.023 2.991 1.00 0.00 C ATOM 69 CZ TYR A 4 5.656 4.021 3.502 1.00 0.00 C ATOM 70 OH TYR A 4 5.910 4.662 4.679 1.00 0.00 O ATOM 0 H TYR A 4 6.709 0.073 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 4 4.326 0.085 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.248 2.141 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.611 2.039 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.178 2.280 0.982 1.00 0.00 H new ATOM 0 HD2 TYR A 4 3.057 3.413 1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.701 3.405 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 4 3.554 4.523 3.533 1.00 0.00 H new ATOM 0 HH TYR A 4 5.076 5.035 5.035 1.00 0.00 H new ATOM 80 N TYR A 5 4.705 -0.601 -2.223 1.00 0.00 N ATOM 81 CA TYR A 5 4.164 -1.414 -3.301 1.00 0.00 C ATOM 82 C TYR A 5 4.029 -2.875 -2.866 1.00 0.00 C ATOM 83 O TYR A 5 2.930 -3.433 -2.913 1.00 0.00 O ATOM 84 CB TYR A 5 5.042 -1.285 -4.561 1.00 0.00 C ATOM 85 CG TYR A 5 4.646 -0.172 -5.519 1.00 0.00 C ATOM 86 CD1 TYR A 5 3.327 -0.107 -6.003 1.00 0.00 C ATOM 87 CD2 TYR A 5 5.601 0.750 -5.991 1.00 0.00 C ATOM 88 CE1 TYR A 5 2.955 0.878 -6.930 1.00 0.00 C ATOM 89 CE2 TYR A 5 5.234 1.745 -6.920 1.00 0.00 C ATOM 90 CZ TYR A 5 3.902 1.814 -7.391 1.00 0.00 C ATOM 91 OH TYR A 5 3.507 2.766 -8.275 1.00 0.00 O ATOM 0 H TYR A 5 5.544 -0.081 -2.480 1.00 0.00 H new ATOM 0 HA TYR A 5 3.166 -1.049 -3.544 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.074 -1.124 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.016 -2.232 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.594 -0.822 -5.658 1.00 0.00 H new ATOM 0 HD2 TYR A 5 6.621 0.694 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.938 0.919 -7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.969 2.454 -7.272 1.00 0.00 H new ATOM 0 HH TYR A 5 4.269 3.340 -8.500 1.00 0.00 H new ATOM 101 N GLN A 6 5.123 -3.507 -2.442 1.00 0.00 N ATOM 102 CA GLN A 6 5.115 -4.930 -2.148 1.00 0.00 C ATOM 103 C GLN A 6 4.353 -5.202 -0.848 1.00 0.00 C ATOM 104 O GLN A 6 3.786 -6.285 -0.696 1.00 0.00 O ATOM 105 CB GLN A 6 6.564 -5.439 -2.101 1.00 0.00 C ATOM 106 CG GLN A 6 6.747 -6.954 -2.249 1.00 0.00 C ATOM 107 CD GLN A 6 7.997 -7.382 -1.479 1.00 0.00 C ATOM 108 OE1 GLN A 6 9.119 -7.311 -1.977 1.00 0.00 O ATOM 109 NE2 GLN A 6 7.856 -7.774 -0.220 1.00 0.00 N ATOM 0 H GLN A 6 6.024 -3.051 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 6 4.592 -5.476 -2.933 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.128 -4.945 -2.893 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.007 -5.130 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 6 5.871 -7.478 -1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.843 -7.221 -3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 6 6.926 -7.833 0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.678 -8.016 0.334 1.00 0.00 H new ATOM 118 N THR A 7 4.230 -4.225 0.049 1.00 0.00 N ATOM 119 CA THR A 7 3.367 -4.299 1.225 1.00 0.00 C ATOM 120 C THR A 7 1.884 -4.464 0.845 1.00 0.00 C ATOM 121 O THR A 7 1.127 -5.100 1.589 1.00 0.00 O ATOM 122 CB THR A 7 3.676 -3.089 2.127 1.00 0.00 C ATOM 123 OG1 THR A 7 5.050 -3.160 2.459 1.00 0.00 O ATOM 124 CG2 THR A 7 2.868 -3.058 3.425 1.00 0.00 C ATOM 0 H THR A 7 4.738 -3.343 -0.023 1.00 0.00 H new ATOM 0 HA THR A 7 3.579 -5.200 1.801 1.00 0.00 H new ATOM 0 HB THR A 7 3.408 -2.187 1.576 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.483 -2.308 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.143 -2.176 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.804 -3.021 3.191 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.080 -3.955 4.007 1.00 0.00 H new ATOM 132 N LEU A 8 1.474 -4.017 -0.347 1.00 0.00 N ATOM 133 CA LEU A 8 0.154 -4.289 -0.933 1.00 0.00 C ATOM 134 C LEU A 8 0.176 -5.504 -1.886 1.00 0.00 C ATOM 135 O LEU A 8 -0.874 -5.948 -2.355 1.00 0.00 O ATOM 136 CB LEU A 8 -0.386 -3.014 -1.616 1.00 0.00 C ATOM 137 CG LEU A 8 -1.923 -2.978 -1.779 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.634 -2.926 -0.421 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.360 -1.750 -2.583 1.00 0.00 C ATOM 0 H LEU A 8 2.065 -3.441 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.530 -4.562 -0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.074 -2.146 -1.035 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.074 -2.921 -2.600 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.199 -3.893 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.713 -2.902 -0.576 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.371 -3.809 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.325 -2.030 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.445 -1.748 -2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.042 -0.845 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.904 -1.782 -3.573 1.00 0.00 H new ATOM 151 N GLY A 9 1.354 -6.080 -2.138 1.00 0.00 N ATOM 152 CA GLY A 9 1.570 -7.277 -2.945 1.00 0.00 C ATOM 153 C GLY A 9 2.098 -6.976 -4.349 1.00 0.00 C ATOM 154 O GLY A 9 2.097 -7.872 -5.192 1.00 0.00 O ATOM 0 H GLY A 9 2.225 -5.703 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.276 -7.930 -2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.631 -7.825 -3.028 1.00 0.00 H new ATOM 158 N LEU A 10 2.510 -5.740 -4.641 1.00 0.00 N ATOM 159 CA LEU A 10 2.819 -5.271 -5.993 1.00 0.00 C ATOM 160 C LEU A 10 4.320 -5.213 -6.252 1.00 0.00 C ATOM 161 O LEU A 10 5.126 -5.198 -5.323 1.00 0.00 O ATOM 162 CB LEU A 10 2.244 -3.862 -6.174 1.00 0.00 C ATOM 163 CG LEU A 10 0.711 -3.829 -6.102 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.258 -2.448 -5.651 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.106 -4.186 -7.461 1.00 0.00 C ATOM 0 H LEU A 10 2.641 -5.022 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 10 2.378 -5.977 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.653 -3.207 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.566 -3.464 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 10 0.365 -4.568 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.830 -2.421 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.674 -2.232 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.606 -1.700 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.982 -4.158 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.442 -3.468 -8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.426 -5.187 -7.750 1.00 0.00 H new ATOM 177 N ALA A 11 4.682 -5.108 -7.528 1.00 0.00 N ATOM 178 CA ALA A 11 6.022 -4.760 -7.958 1.00 0.00 C ATOM 179 C ALA A 11 6.237 -3.253 -7.855 1.00 0.00 C ATOM 180 O ALA A 11 5.310 -2.454 -8.005 1.00 0.00 O ATOM 181 CB ALA A 11 6.209 -5.169 -9.423 1.00 0.00 C ATOM 0 H ALA A 11 4.036 -5.266 -8.302 1.00 0.00 H new ATOM 0 HA ALA A 11 6.736 -5.279 -7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.216 -4.908 -9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.063 -6.245 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.481 -4.646 -10.043 1.00 0.00 H new ATOM 187 N ARG A 12 7.500 -2.863 -7.717 1.00 0.00 N ATOM 188 CA ARG A 12 7.956 -1.523 -8.045 1.00 0.00 C ATOM 189 C ARG A 12 7.837 -1.450 -9.564 1.00 0.00 C ATOM 190 O ARG A 12 8.322 -2.356 -10.247 1.00 0.00 O ATOM 191 CB ARG A 12 9.410 -1.313 -7.582 1.00 0.00 C ATOM 192 CG ARG A 12 9.606 -1.333 -6.055 1.00 0.00 C ATOM 193 CD ARG A 12 9.584 -2.736 -5.422 1.00 0.00 C ATOM 194 NE ARG A 12 9.912 -2.658 -4.000 1.00 0.00 N ATOM 195 CZ ARG A 12 10.086 -3.650 -3.128 1.00 0.00 C ATOM 196 NH1 ARG A 12 9.830 -4.917 -3.450 1.00 0.00 N ATOM 197 NH2 ARG A 12 10.515 -3.331 -1.918 1.00 0.00 N ATOM 0 H ARG A 12 8.239 -3.475 -7.371 1.00 0.00 H new ATOM 0 HA ARG A 12 7.374 -0.745 -7.550 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.034 -2.089 -8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.766 -0.358 -7.968 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.558 -0.857 -5.818 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.824 -0.729 -5.594 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.599 -3.185 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.298 -3.383 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 12 10.023 -1.716 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.492 -5.147 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.972 -5.657 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.699 -2.356 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.661 -4.060 -1.220 1.00 0.00 H new ATOM 211 N GLY A 13 7.175 -0.430 -10.098 1.00 0.00 N ATOM 212 CA GLY A 13 6.814 -0.374 -11.508 1.00 0.00 C ATOM 213 C GLY A 13 5.397 -0.885 -11.773 1.00 0.00 C ATOM 214 O GLY A 13 5.027 -1.043 -12.936 1.00 0.00 O ATOM 0 H GLY A 13 6.873 0.384 -9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.897 0.654 -11.860 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.524 -0.967 -12.085 1.00 0.00 H new ATOM 218 N ALA A 14 4.594 -1.165 -10.739 1.00 0.00 N ATOM 219 CA ALA A 14 3.140 -1.221 -10.869 1.00 0.00 C ATOM 220 C ALA A 14 2.597 0.177 -11.218 1.00 0.00 C ATOM 221 O ALA A 14 3.358 1.132 -11.396 1.00 0.00 O ATOM 222 CB ALA A 14 2.545 -1.779 -9.572 1.00 0.00 C ATOM 0 H ALA A 14 4.935 -1.357 -9.797 1.00 0.00 H new ATOM 0 HA ALA A 14 2.849 -1.888 -11.681 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.459 -1.824 -9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.937 -2.780 -9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.815 -1.130 -8.739 1.00 0.00 H new ATOM 228 N SER A 15 1.278 0.297 -11.349 1.00 0.00 N ATOM 229 CA SER A 15 0.576 1.536 -11.672 1.00 0.00 C ATOM 230 C SER A 15 -0.638 1.681 -10.759 1.00 0.00 C ATOM 231 O SER A 15 -0.976 0.750 -10.023 1.00 0.00 O ATOM 232 CB SER A 15 0.200 1.528 -13.161 1.00 0.00 C ATOM 233 OG SER A 15 -0.327 0.269 -13.554 1.00 0.00 O ATOM 0 H SER A 15 0.646 -0.495 -11.229 1.00 0.00 H new ATOM 0 HA SER A 15 1.215 2.402 -11.501 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.535 2.309 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.080 1.760 -13.762 1.00 0.00 H new ATOM 0 HG SER A 15 -0.559 0.294 -14.506 1.00 0.00 H new ATOM 239 N ASP A 16 -1.311 2.833 -10.780 1.00 0.00 N ATOM 240 CA ASP A 16 -2.363 3.121 -9.807 1.00 0.00 C ATOM 241 C ASP A 16 -3.606 2.249 -10.025 1.00 0.00 C ATOM 242 O ASP A 16 -4.293 1.865 -9.077 1.00 0.00 O ATOM 243 CB ASP A 16 -2.709 4.613 -9.805 1.00 0.00 C ATOM 244 CG ASP A 16 -3.405 5.008 -8.503 1.00 0.00 C ATOM 245 OD1 ASP A 16 -4.579 4.653 -8.281 1.00 0.00 O ATOM 246 OD2 ASP A 16 -2.781 5.689 -7.662 1.00 0.00 O ATOM 0 H ASP A 16 -1.146 3.578 -11.457 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.976 2.866 -8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.800 5.202 -9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.356 4.842 -10.652 1.00 0.00 H new ATOM 251 N GLU A 17 -3.852 1.817 -11.263 1.00 0.00 N ATOM 252 CA GLU A 17 -4.937 0.888 -11.564 1.00 0.00 C ATOM 253 C GLU A 17 -4.574 -0.523 -11.132 1.00 0.00 C ATOM 254 O GLU A 17 -5.462 -1.363 -11.074 1.00 0.00 O ATOM 255 CB GLU A 17 -5.314 0.971 -13.051 1.00 0.00 C ATOM 256 CG GLU A 17 -6.754 0.501 -13.308 1.00 0.00 C ATOM 257 CD GLU A 17 -7.141 0.663 -14.775 1.00 0.00 C ATOM 258 OE1 GLU A 17 -7.602 1.758 -15.174 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.014 -0.321 -15.542 1.00 0.00 O ATOM 0 H GLU A 17 -3.308 2.100 -12.078 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.820 1.173 -10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.201 1.999 -13.397 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.624 0.361 -13.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.854 -0.545 -13.018 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.441 1.072 -12.684 1.00 0.00 H new ATOM 266 N GLU A 18 -3.318 -0.775 -10.758 1.00 0.00 N ATOM 267 CA GLU A 18 -2.887 -1.989 -10.098 1.00 0.00 C ATOM 268 C GLU A 18 -2.906 -1.799 -8.581 1.00 0.00 C ATOM 269 O GLU A 18 -3.253 -2.736 -7.866 1.00 0.00 O ATOM 270 CB GLU A 18 -1.484 -2.370 -10.591 1.00 0.00 C ATOM 271 CG GLU A 18 -1.536 -3.845 -11.020 1.00 0.00 C ATOM 272 CD GLU A 18 -0.186 -4.482 -11.350 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.370 -4.186 -12.431 1.00 0.00 O ATOM 274 OE2 GLU A 18 0.265 -5.374 -10.588 1.00 0.00 O ATOM 0 H GLU A 18 -2.557 -0.114 -10.915 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.572 -2.801 -10.342 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.185 -1.737 -11.426 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.747 -2.225 -9.801 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.005 -4.421 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.181 -3.928 -11.895 1.00 0.00 H new ATOM 281 N ILE A 19 -2.601 -0.590 -8.092 1.00 0.00 N ATOM 282 CA ILE A 19 -2.729 -0.213 -6.684 1.00 0.00 C ATOM 283 C ILE A 19 -4.156 -0.512 -6.248 1.00 0.00 C ATOM 284 O ILE A 19 -4.367 -1.365 -5.388 1.00 0.00 O ATOM 285 CB ILE A 19 -2.317 1.246 -6.406 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.782 1.341 -6.525 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.797 1.703 -5.015 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.250 2.770 -6.446 1.00 0.00 C ATOM 0 H ILE A 19 -2.251 0.167 -8.679 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.031 -0.803 -6.090 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.786 1.909 -7.133 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.327 0.748 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.471 0.898 -7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.492 2.736 -4.846 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.883 1.632 -4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.355 1.065 -4.250 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.836 2.759 -6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.676 3.362 -7.256 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.530 3.210 -5.489 1.00 0.00 H new ATOM 300 N LYS A 20 -5.136 0.168 -6.850 1.00 0.00 N ATOM 301 CA LYS A 20 -6.552 0.003 -6.530 1.00 0.00 C ATOM 302 C LYS A 20 -6.987 -1.458 -6.679 1.00 0.00 C ATOM 303 O LYS A 20 -7.793 -1.942 -5.884 1.00 0.00 O ATOM 304 CB LYS A 20 -7.395 0.956 -7.391 1.00 0.00 C ATOM 305 CG LYS A 20 -7.186 2.423 -6.963 1.00 0.00 C ATOM 306 CD LYS A 20 -8.131 3.360 -7.722 1.00 0.00 C ATOM 307 CE LYS A 20 -8.014 4.815 -7.252 1.00 0.00 C ATOM 308 NZ LYS A 20 -7.080 5.609 -8.071 1.00 0.00 N ATOM 0 H LYS A 20 -4.963 0.857 -7.582 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.715 0.266 -5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.125 0.838 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.449 0.695 -7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.357 2.520 -5.891 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.153 2.715 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.912 3.307 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.158 3.020 -7.590 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.999 5.281 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.682 4.831 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.054 6.587 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.128 5.194 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.398 5.607 -9.061 1.00 0.00 H new ATOM 322 N ARG A 21 -6.427 -2.189 -7.643 1.00 0.00 N ATOM 323 CA ARG A 21 -6.710 -3.607 -7.853 1.00 0.00 C ATOM 324 C ARG A 21 -6.219 -4.443 -6.670 1.00 0.00 C ATOM 325 O ARG A 21 -6.937 -5.336 -6.218 1.00 0.00 O ATOM 326 CB ARG A 21 -6.055 -4.031 -9.180 1.00 0.00 C ATOM 327 CG ARG A 21 -6.875 -4.987 -10.045 1.00 0.00 C ATOM 328 CD ARG A 21 -6.997 -6.408 -9.501 1.00 0.00 C ATOM 329 NE ARG A 21 -8.000 -7.133 -10.288 1.00 0.00 N ATOM 330 CZ ARG A 21 -7.814 -7.835 -11.409 1.00 0.00 C ATOM 331 NH1 ARG A 21 -6.595 -8.091 -11.868 1.00 0.00 N ATOM 332 NH2 ARG A 21 -8.889 -8.265 -12.056 1.00 0.00 N ATOM 0 H ARG A 21 -5.755 -1.807 -8.308 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.785 -3.777 -7.916 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.842 -3.134 -9.762 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.097 -4.501 -8.958 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.876 -4.574 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.425 -5.031 -11.037 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.035 -6.917 -9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.286 -6.386 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.957 -7.097 -9.936 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.778 -7.750 -11.362 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.476 -8.629 -12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.820 -8.057 -11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.785 -8.804 -12.916 1.00 0.00 H new ATOM 346 N ALA A 22 -5.002 -4.190 -6.185 1.00 0.00 N ATOM 347 CA ALA A 22 -4.393 -4.902 -5.071 1.00 0.00 C ATOM 348 C ALA A 22 -5.016 -4.506 -3.729 1.00 0.00 C ATOM 349 O ALA A 22 -5.123 -5.350 -2.847 1.00 0.00 O ATOM 350 CB ALA A 22 -2.889 -4.644 -5.065 1.00 0.00 C ATOM 0 H ALA A 22 -4.400 -3.463 -6.571 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.580 -5.968 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.432 -5.177 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.456 -4.996 -6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.704 -3.575 -4.958 1.00 0.00 H new ATOM 356 N TYR A 23 -5.473 -3.262 -3.584 1.00 0.00 N ATOM 357 CA TYR A 23 -6.126 -2.668 -2.429 1.00 0.00 C ATOM 358 C TYR A 23 -7.181 -3.618 -1.853 1.00 0.00 C ATOM 359 O TYR A 23 -7.001 -4.196 -0.782 1.00 0.00 O ATOM 360 CB TYR A 23 -6.706 -1.336 -2.939 1.00 0.00 C ATOM 361 CG TYR A 23 -6.500 -0.104 -2.114 1.00 0.00 C ATOM 362 CD1 TYR A 23 -5.262 0.563 -2.170 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.582 0.445 -1.409 1.00 0.00 C ATOM 364 CE1 TYR A 23 -5.076 1.755 -1.459 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.412 1.649 -0.716 1.00 0.00 C ATOM 366 CZ TYR A 23 -6.152 2.281 -0.715 1.00 0.00 C ATOM 367 OH TYR A 23 -6.003 3.397 0.045 1.00 0.00 O ATOM 0 H TYR A 23 -5.385 -2.588 -4.344 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.444 -2.487 -1.599 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.285 -1.148 -3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.780 -1.471 -3.071 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.455 0.156 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.538 -0.057 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -4.123 2.263 -1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.242 2.092 -0.185 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.054 3.640 0.088 1.00 0.00 H new ATOM 377 N ARG A 24 -8.245 -3.852 -2.624 1.00 0.00 N ATOM 378 CA ARG A 24 -9.314 -4.799 -2.330 1.00 0.00 C ATOM 379 C ARG A 24 -8.768 -6.193 -2.053 1.00 0.00 C ATOM 380 O ARG A 24 -9.205 -6.839 -1.104 1.00 0.00 O ATOM 381 CB ARG A 24 -10.345 -4.788 -3.478 1.00 0.00 C ATOM 382 CG ARG A 24 -9.722 -4.950 -4.879 1.00 0.00 C ATOM 383 CD ARG A 24 -10.718 -4.800 -6.026 1.00 0.00 C ATOM 384 NE ARG A 24 -11.593 -5.971 -6.177 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.310 -7.073 -6.878 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.084 -7.269 -7.359 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.267 -7.969 -7.081 1.00 0.00 N ATOM 0 H ARG A 24 -8.388 -3.364 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.821 -4.489 -1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.064 -5.591 -3.316 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.901 -3.851 -3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.931 -4.210 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.254 -5.932 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.330 -3.914 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.173 -4.637 -6.956 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.497 -5.940 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.354 -6.576 -7.193 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.875 -8.112 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.202 -7.811 -6.704 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.068 -8.816 -7.614 1.00 0.00 H new ATOM 401 N ARG A 25 -7.820 -6.668 -2.867 1.00 0.00 N ATOM 402 CA ARG A 25 -7.295 -8.024 -2.749 1.00 0.00 C ATOM 403 C ARG A 25 -6.634 -8.238 -1.398 1.00 0.00 C ATOM 404 O ARG A 25 -6.769 -9.334 -0.856 1.00 0.00 O ATOM 405 CB ARG A 25 -6.303 -8.336 -3.879 1.00 0.00 C ATOM 406 CG ARG A 25 -7.009 -8.563 -5.221 1.00 0.00 C ATOM 407 CD ARG A 25 -6.034 -8.706 -6.401 1.00 0.00 C ATOM 408 NE ARG A 25 -4.918 -9.628 -6.126 1.00 0.00 N ATOM 409 CZ ARG A 25 -4.978 -10.962 -6.038 1.00 0.00 C ATOM 410 NH1 ARG A 25 -6.117 -11.626 -6.198 1.00 0.00 N ATOM 411 NH2 ARG A 25 -3.875 -11.639 -5.755 1.00 0.00 N ATOM 0 H ARG A 25 -7.400 -6.124 -3.621 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.139 -8.709 -2.834 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.595 -7.513 -3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.726 -9.223 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.623 -9.461 -5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.684 -7.729 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.581 -9.059 -7.275 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.632 -7.725 -6.652 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.001 -9.204 -5.988 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.980 -11.119 -6.394 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.129 -12.643 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.996 -11.143 -5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.905 -12.656 -5.685 1.00 0.00 H new ATOM 425 N GLN A 26 -5.884 -7.263 -0.887 1.00 0.00 N ATOM 426 CA GLN A 26 -5.216 -7.336 0.382 1.00 0.00 C ATOM 427 C GLN A 26 -6.222 -7.115 1.502 1.00 0.00 C ATOM 428 O GLN A 26 -6.314 -7.945 2.398 1.00 0.00 O ATOM 429 CB GLN A 26 -4.133 -6.243 0.373 1.00 0.00 C ATOM 430 CG GLN A 26 -2.969 -6.604 1.272 1.00 0.00 C ATOM 431 CD GLN A 26 -1.924 -7.486 0.599 1.00 0.00 C ATOM 432 OE1 GLN A 26 -2.246 -8.475 -0.051 1.00 0.00 O ATOM 433 NE2 GLN A 26 -0.653 -7.164 0.729 1.00 0.00 N ATOM 0 H GLN A 26 -5.729 -6.379 -1.371 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.761 -8.313 0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.774 -6.094 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.566 -5.298 0.700 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.490 -5.688 1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.349 -7.117 2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.388 -6.341 1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.066 -7.738 0.288 1.00 0.00 H new ATOM 442 N ALA A 27 -6.974 -6.014 1.485 1.00 0.00 N ATOM 443 CA ALA A 27 -7.819 -5.655 2.613 1.00 0.00 C ATOM 444 C ALA A 27 -8.868 -6.734 2.878 1.00 0.00 C ATOM 445 O ALA A 27 -9.072 -7.124 4.023 1.00 0.00 O ATOM 446 CB ALA A 27 -8.474 -4.305 2.356 1.00 0.00 C ATOM 0 H ALA A 27 -7.012 -5.360 0.703 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.199 -5.578 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.106 -4.040 3.204 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.703 -3.545 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.082 -4.362 1.453 1.00 0.00 H new ATOM 452 N LEU A 28 -9.496 -7.282 1.833 1.00 0.00 N ATOM 453 CA LEU A 28 -10.500 -8.336 1.976 1.00 0.00 C ATOM 454 C LEU A 28 -9.907 -9.665 2.482 1.00 0.00 C ATOM 455 O LEU A 28 -10.656 -10.600 2.760 1.00 0.00 O ATOM 456 CB LEU A 28 -11.255 -8.472 0.640 1.00 0.00 C ATOM 457 CG LEU A 28 -12.566 -9.279 0.680 1.00 0.00 C ATOM 458 CD1 LEU A 28 -13.524 -8.810 1.784 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.267 -9.172 -0.679 1.00 0.00 C ATOM 0 H LEU A 28 -9.322 -7.007 0.866 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.210 -8.055 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.479 -7.472 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.588 -8.938 -0.085 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.302 -10.313 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -14.429 -9.416 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -13.040 -8.916 2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.784 -7.764 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.196 -9.742 -0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.488 -8.126 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -12.616 -9.571 -1.457 1.00 0.00 H new ATOM 471 N ARG A 29 -8.582 -9.768 2.624 1.00 0.00 N ATOM 472 CA ARG A 29 -7.865 -10.907 3.180 1.00 0.00 C ATOM 473 C ARG A 29 -7.621 -10.765 4.693 1.00 0.00 C ATOM 474 O ARG A 29 -7.302 -11.766 5.343 1.00 0.00 O ATOM 475 CB ARG A 29 -6.543 -11.009 2.391 1.00 0.00 C ATOM 476 CG ARG A 29 -5.981 -12.430 2.377 1.00 0.00 C ATOM 477 CD ARG A 29 -4.691 -12.565 1.558 1.00 0.00 C ATOM 478 NE ARG A 29 -4.833 -12.008 0.203 1.00 0.00 N ATOM 479 CZ ARG A 29 -3.909 -11.299 -0.453 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.636 -11.359 -0.089 1.00 0.00 N ATOM 481 NH2 ARG A 29 -4.281 -10.533 -1.470 1.00 0.00 N ATOM 0 H ARG A 29 -7.953 -9.018 2.338 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.455 -11.818 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.708 -10.676 1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.808 -10.335 2.830 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.787 -12.747 3.402 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.733 -13.107 1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.879 -12.055 2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.414 -13.617 1.490 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.716 -12.178 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.357 -11.948 0.695 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.935 -10.816 -0.593 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.263 -10.490 -1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.585 -9.987 -1.979 1.00 0.00 H new ATOM 495 N TYR A 30 -7.757 -9.558 5.255 1.00 0.00 N ATOM 496 CA TYR A 30 -7.326 -9.181 6.596 1.00 0.00 C ATOM 497 C TYR A 30 -8.343 -8.255 7.296 1.00 0.00 C ATOM 498 O TYR A 30 -8.129 -7.878 8.444 1.00 0.00 O ATOM 499 CB TYR A 30 -5.939 -8.519 6.529 1.00 0.00 C ATOM 500 CG TYR A 30 -4.867 -9.368 5.869 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.465 -10.575 6.463 1.00 0.00 C ATOM 502 CD2 TYR A 30 -4.314 -8.988 4.633 1.00 0.00 C ATOM 503 CE1 TYR A 30 -3.555 -11.420 5.810 1.00 0.00 C ATOM 504 CE2 TYR A 30 -3.376 -9.808 3.982 1.00 0.00 C ATOM 505 CZ TYR A 30 -3.004 -11.036 4.567 1.00 0.00 C ATOM 506 OH TYR A 30 -2.150 -11.871 3.914 1.00 0.00 O ATOM 0 H TYR A 30 -8.193 -8.782 4.757 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.264 -10.089 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.025 -7.578 5.985 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.618 -8.274 7.541 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.859 -10.855 7.429 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.614 -8.055 4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.276 -12.363 6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.944 -9.500 3.041 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.864 -11.455 3.074 1.00 0.00 H new ATOM 516 N HIS A 31 -9.489 -7.980 6.674 1.00 0.00 N ATOM 517 CA HIS A 31 -10.558 -7.095 7.121 1.00 0.00 C ATOM 518 C HIS A 31 -11.074 -7.522 8.514 1.00 0.00 C ATOM 519 O HIS A 31 -11.319 -8.716 8.729 1.00 0.00 O ATOM 520 CB HIS A 31 -11.706 -7.213 6.092 1.00 0.00 C ATOM 521 CG HIS A 31 -12.316 -5.922 5.606 1.00 0.00 C ATOM 522 ND1 HIS A 31 -13.040 -4.982 6.312 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.293 -5.517 4.300 1.00 0.00 C ATOM 524 CE1 HIS A 31 -13.451 -4.043 5.444 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.995 -4.314 4.206 1.00 0.00 N ATOM 0 H HIS A 31 -9.709 -8.405 5.773 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.192 -6.071 7.197 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.332 -7.760 5.226 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.498 -7.818 6.533 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.815 -6.037 3.483 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -14.061 -3.190 5.702 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.135 -3.752 3.366 1.00 0.00 H new ATOM 533 N PRO A 32 -11.390 -6.578 9.421 1.00 0.00 N ATOM 534 CA PRO A 32 -12.141 -6.850 10.653 1.00 0.00 C ATOM 535 C PRO A 32 -13.393 -7.701 10.405 1.00 0.00 C ATOM 536 O PRO A 32 -13.748 -8.567 11.204 1.00 0.00 O ATOM 537 CB PRO A 32 -12.523 -5.469 11.204 1.00 0.00 C ATOM 538 CG PRO A 32 -11.459 -4.532 10.646 1.00 0.00 C ATOM 539 CD PRO A 32 -11.062 -5.166 9.319 1.00 0.00 C ATOM 0 HA PRO A 32 -11.537 -7.428 11.353 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -13.521 -5.174 10.881 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.526 -5.463 12.294 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.850 -3.524 10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -10.606 -4.451 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -11.599 -4.702 8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.998 -5.028 9.126 1.00 0.00 H new ATOM 547 N ASP A 33 -14.031 -7.469 9.256 1.00 0.00 N ATOM 548 CA ASP A 33 -15.371 -7.938 8.929 1.00 0.00 C ATOM 549 C ASP A 33 -15.369 -9.371 8.393 1.00 0.00 C ATOM 550 O ASP A 33 -16.433 -9.976 8.291 1.00 0.00 O ATOM 551 CB ASP A 33 -15.986 -7.040 7.833 1.00 0.00 C ATOM 552 CG ASP A 33 -16.269 -5.594 8.238 1.00 0.00 C ATOM 553 OD1 ASP A 33 -15.826 -5.145 9.321 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.860 -4.851 7.421 1.00 0.00 O ATOM 0 H ASP A 33 -13.609 -6.928 8.501 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.949 -7.901 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.312 -7.032 6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -16.920 -7.493 7.500 1.00 0.00 H new ATOM 559 N LYS A 34 -14.211 -9.919 7.992 1.00 0.00 N ATOM 560 CA LYS A 34 -14.180 -11.110 7.131 1.00 0.00 C ATOM 561 C LYS A 34 -13.369 -12.239 7.765 1.00 0.00 C ATOM 562 O LYS A 34 -13.653 -13.415 7.529 1.00 0.00 O ATOM 563 CB LYS A 34 -13.631 -10.688 5.752 1.00 0.00 C ATOM 564 CG LYS A 34 -13.227 -11.844 4.822 1.00 0.00 C ATOM 565 CD LYS A 34 -14.406 -12.744 4.409 1.00 0.00 C ATOM 566 CE LYS A 34 -15.332 -12.055 3.397 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.785 -12.126 2.024 1.00 0.00 N ATOM 0 H LYS A 34 -13.291 -9.559 8.248 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.186 -11.511 7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.386 -10.085 5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.763 -10.047 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.763 -11.433 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.473 -12.453 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.022 -13.668 3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.979 -13.020 5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.315 -12.526 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.471 -11.012 3.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.436 -11.651 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.858 -11.655 1.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.676 -13.122 1.745 1.00 0.00 H new ATOM 581 N ASN A 35 -12.355 -11.904 8.553 1.00 0.00 N ATOM 582 CA ASN A 35 -11.375 -12.837 9.098 1.00 0.00 C ATOM 583 C ASN A 35 -11.163 -12.509 10.582 1.00 0.00 C ATOM 584 O ASN A 35 -10.309 -13.118 11.216 1.00 0.00 O ATOM 585 CB ASN A 35 -10.039 -12.713 8.331 1.00 0.00 C ATOM 586 CG ASN A 35 -9.747 -11.286 7.950 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.263 -10.774 6.962 1.00 0.00 O ATOM 588 ND2 ASN A 35 -9.009 -10.615 8.809 1.00 0.00 N ATOM 0 H ASN A 35 -12.186 -10.940 8.841 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.737 -13.860 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.228 -13.098 8.948 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.076 -13.329 7.433 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.843 -9.618 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.604 -11.092 9.615 1.00 0.00 H new ATOM 595 N LYS A 36 -11.945 -11.577 11.149 1.00 0.00 N ATOM 596 CA LYS A 36 -11.850 -11.076 12.514 1.00 0.00 C ATOM 597 C LYS A 36 -10.469 -10.523 12.878 1.00 0.00 C ATOM 598 O LYS A 36 -10.147 -10.509 14.064 1.00 0.00 O ATOM 599 CB LYS A 36 -12.370 -12.126 13.505 1.00 0.00 C ATOM 600 CG LYS A 36 -13.888 -12.360 13.455 1.00 0.00 C ATOM 601 CD LYS A 36 -14.410 -13.017 14.749 1.00 0.00 C ATOM 602 CE LYS A 36 -14.824 -12.029 15.858 1.00 0.00 C ATOM 603 NZ LYS A 36 -13.724 -11.188 16.379 1.00 0.00 N ATOM 0 H LYS A 36 -12.702 -11.132 10.630 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.501 -10.204 12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.864 -13.072 13.310 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.096 -11.820 14.515 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.397 -11.409 13.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.130 -12.994 12.602 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.268 -13.642 14.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.637 -13.677 15.141 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.609 -11.379 15.472 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.255 -12.593 16.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.062 -10.642 17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.932 -11.795 16.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.404 -10.535 15.635 1.00 0.00 H new ATOM 617 N GLU A 37 -9.679 -10.051 11.904 1.00 0.00 N ATOM 618 CA GLU A 37 -8.379 -9.428 12.044 1.00 0.00 C ATOM 619 C GLU A 37 -7.579 -10.042 13.216 1.00 0.00 C ATOM 620 O GLU A 37 -7.537 -9.465 14.306 1.00 0.00 O ATOM 621 CB GLU A 37 -8.630 -7.923 12.109 1.00 0.00 C ATOM 622 CG GLU A 37 -7.324 -7.152 11.952 1.00 0.00 C ATOM 623 CD GLU A 37 -7.422 -5.702 12.432 1.00 0.00 C ATOM 624 OE1 GLU A 37 -8.538 -5.143 12.539 1.00 0.00 O ATOM 625 OE2 GLU A 37 -6.369 -5.098 12.730 1.00 0.00 O ATOM 0 H GLU A 37 -9.965 -10.105 10.926 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.722 -9.619 11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.327 -7.631 11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.097 -7.668 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.539 -7.661 12.511 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.027 -7.162 10.903 1.00 0.00 H new ATOM 632 N PRO A 38 -7.029 -11.259 13.028 1.00 0.00 N ATOM 633 CA PRO A 38 -6.362 -12.055 14.061 1.00 0.00 C ATOM 634 C PRO A 38 -4.993 -11.447 14.399 1.00 0.00 C ATOM 635 O PRO A 38 -4.801 -10.234 14.368 1.00 0.00 O ATOM 636 CB PRO A 38 -6.344 -13.476 13.471 1.00 0.00 C ATOM 637 CG PRO A 38 -6.212 -13.241 11.975 1.00 0.00 C ATOM 638 CD PRO A 38 -7.087 -12.013 11.781 1.00 0.00 C ATOM 0 HA PRO A 38 -6.861 -12.073 15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.510 -14.061 13.860 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.256 -14.022 13.712 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.179 -13.059 11.678 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.566 -14.092 11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.729 -11.410 10.947 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.113 -12.301 11.549 1.00 0.00 H new ATOM 646 N GLY A 39 -3.985 -12.278 14.645 1.00 0.00 N ATOM 647 CA GLY A 39 -2.576 -11.891 14.648 1.00 0.00 C ATOM 648 C GLY A 39 -2.127 -11.183 13.360 1.00 0.00 C ATOM 649 O GLY A 39 -1.003 -10.686 13.293 1.00 0.00 O ATOM 0 H GLY A 39 -4.128 -13.266 14.854 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.391 -11.233 15.497 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.964 -12.781 14.795 1.00 0.00 H new ATOM 653 N ALA A 40 -2.990 -11.111 12.340 1.00 0.00 N ATOM 654 CA ALA A 40 -2.893 -10.202 11.213 1.00 0.00 C ATOM 655 C ALA A 40 -2.941 -8.727 11.622 1.00 0.00 C ATOM 656 O ALA A 40 -2.706 -7.915 10.743 1.00 0.00 O ATOM 657 CB ALA A 40 -4.063 -10.455 10.257 1.00 0.00 C ATOM 0 H ALA A 40 -3.809 -11.716 12.284 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.928 -10.394 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.994 -9.774 9.409 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.025 -11.484 9.900 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.004 -10.287 10.781 1.00 0.00 H new ATOM 663 N GLU A 41 -3.263 -8.351 12.862 1.00 0.00 N ATOM 664 CA GLU A 41 -3.540 -6.962 13.231 1.00 0.00 C ATOM 665 C GLU A 41 -2.369 -6.041 12.873 1.00 0.00 C ATOM 666 O GLU A 41 -2.560 -5.028 12.200 1.00 0.00 O ATOM 667 CB GLU A 41 -3.844 -6.914 14.735 1.00 0.00 C ATOM 668 CG GLU A 41 -4.248 -5.522 15.244 1.00 0.00 C ATOM 669 CD GLU A 41 -3.809 -5.335 16.690 1.00 0.00 C ATOM 670 OE1 GLU A 41 -4.461 -5.893 17.603 1.00 0.00 O ATOM 671 OE2 GLU A 41 -2.784 -4.652 16.919 1.00 0.00 O ATOM 0 H GLU A 41 -3.339 -9.005 13.641 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.401 -6.601 12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.646 -7.618 14.956 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.965 -7.250 15.284 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.795 -4.754 14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.328 -5.400 15.167 1.00 0.00 H new ATOM 678 N GLU A 42 -1.145 -6.445 13.217 1.00 0.00 N ATOM 679 CA GLU A 42 0.067 -5.701 12.878 1.00 0.00 C ATOM 680 C GLU A 42 0.176 -5.559 11.361 1.00 0.00 C ATOM 681 O GLU A 42 0.434 -4.476 10.838 1.00 0.00 O ATOM 682 CB GLU A 42 1.274 -6.454 13.444 1.00 0.00 C ATOM 683 CG GLU A 42 2.614 -5.729 13.263 1.00 0.00 C ATOM 684 CD GLU A 42 2.752 -4.460 14.105 1.00 0.00 C ATOM 685 OE1 GLU A 42 2.319 -4.456 15.283 1.00 0.00 O ATOM 686 OE2 GLU A 42 3.332 -3.467 13.607 1.00 0.00 O ATOM 0 H GLU A 42 -0.967 -7.302 13.741 1.00 0.00 H new ATOM 0 HA GLU A 42 0.033 -4.701 13.310 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.111 -6.631 14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.335 -7.431 12.964 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.423 -6.413 13.519 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.737 -5.470 12.211 1.00 0.00 H new ATOM 693 N LYS A 43 -0.054 -6.675 10.666 1.00 0.00 N ATOM 694 CA LYS A 43 0.013 -6.849 9.233 1.00 0.00 C ATOM 695 C LYS A 43 -1.001 -5.968 8.511 1.00 0.00 C ATOM 696 O LYS A 43 -0.655 -5.398 7.480 1.00 0.00 O ATOM 697 CB LYS A 43 -0.154 -8.351 8.894 1.00 0.00 C ATOM 698 CG LYS A 43 1.147 -8.884 8.294 1.00 0.00 C ATOM 699 CD LYS A 43 1.234 -10.407 8.154 1.00 0.00 C ATOM 700 CE LYS A 43 2.489 -10.831 7.368 1.00 0.00 C ATOM 701 NZ LYS A 43 3.732 -10.205 7.865 1.00 0.00 N ATOM 0 H LYS A 43 -0.311 -7.542 11.138 1.00 0.00 H new ATOM 0 HA LYS A 43 0.990 -6.525 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.409 -8.912 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.975 -8.487 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.282 -8.438 7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.978 -8.546 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.252 -10.864 9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.343 -10.778 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.591 -11.915 7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.355 -10.572 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.553 -10.666 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.732 -9.193 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.787 -10.314 8.898 1.00 0.00 H new ATOM 715 N PHE A 44 -2.223 -5.861 9.028 1.00 0.00 N ATOM 716 CA PHE A 44 -3.301 -5.042 8.496 1.00 0.00 C ATOM 717 C PHE A 44 -2.956 -3.571 8.669 1.00 0.00 C ATOM 718 O PHE A 44 -3.093 -2.810 7.717 1.00 0.00 O ATOM 719 CB PHE A 44 -4.629 -5.399 9.180 1.00 0.00 C ATOM 720 CG PHE A 44 -5.847 -4.681 8.617 1.00 0.00 C ATOM 721 CD1 PHE A 44 -6.197 -4.821 7.259 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.639 -3.866 9.449 1.00 0.00 C ATOM 723 CE1 PHE A 44 -7.327 -4.159 6.744 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.764 -3.198 8.935 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.108 -3.344 7.582 1.00 0.00 C ATOM 0 H PHE A 44 -2.498 -6.368 9.869 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.420 -5.240 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.787 -6.474 9.097 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.548 -5.170 10.243 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.595 -5.440 6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.380 -3.753 10.491 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.594 -4.277 5.704 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.363 -2.573 9.581 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.972 -2.831 7.185 1.00 0.00 H new ATOM 735 N LYS A 45 -2.445 -3.175 9.838 1.00 0.00 N ATOM 736 CA LYS A 45 -1.973 -1.811 10.055 1.00 0.00 C ATOM 737 C LYS A 45 -0.797 -1.501 9.117 1.00 0.00 C ATOM 738 O LYS A 45 -0.679 -0.378 8.637 1.00 0.00 O ATOM 739 CB LYS A 45 -1.615 -1.618 11.538 1.00 0.00 C ATOM 740 CG LYS A 45 -1.965 -0.237 12.111 1.00 0.00 C ATOM 741 CD LYS A 45 -1.191 0.916 11.458 1.00 0.00 C ATOM 742 CE LYS A 45 -1.208 2.181 12.323 1.00 0.00 C ATOM 743 NZ LYS A 45 -2.537 2.820 12.393 1.00 0.00 N ATOM 0 H LYS A 45 -2.349 -3.785 10.650 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.764 -1.100 9.815 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.130 -2.380 12.124 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.546 -1.788 11.664 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.034 -0.062 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.765 -0.237 13.182 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.160 0.609 11.286 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.625 1.138 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.880 1.928 13.331 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.489 2.896 11.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.483 3.669 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.843 3.090 11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.222 2.152 12.800 1.00 0.00 H new ATOM 757 N GLU A 46 0.018 -2.497 8.762 1.00 0.00 N ATOM 758 CA GLU A 46 1.157 -2.317 7.870 1.00 0.00 C ATOM 759 C GLU A 46 0.630 -2.135 6.440 1.00 0.00 C ATOM 760 O GLU A 46 1.059 -1.222 5.735 1.00 0.00 O ATOM 761 CB GLU A 46 2.061 -3.554 7.975 1.00 0.00 C ATOM 762 CG GLU A 46 3.506 -3.239 8.356 1.00 0.00 C ATOM 763 CD GLU A 46 4.333 -2.749 7.177 1.00 0.00 C ATOM 764 OE1 GLU A 46 4.235 -1.555 6.839 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.102 -3.561 6.611 1.00 0.00 O ATOM 0 H GLU A 46 -0.098 -3.456 9.090 1.00 0.00 H new ATOM 0 HA GLU A 46 1.739 -1.437 8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.642 -4.236 8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.054 -4.078 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.513 -2.481 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.970 -4.133 8.773 1.00 0.00 H new ATOM 772 N ILE A 47 -0.374 -2.930 6.041 1.00 0.00 N ATOM 773 CA ILE A 47 -1.106 -2.718 4.798 1.00 0.00 C ATOM 774 C ILE A 47 -1.635 -1.293 4.803 1.00 0.00 C ATOM 775 O ILE A 47 -1.380 -0.600 3.831 1.00 0.00 O ATOM 776 CB ILE A 47 -2.217 -3.765 4.562 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.551 -5.131 4.324 1.00 0.00 C ATOM 778 CG2 ILE A 47 -3.110 -3.433 3.339 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.502 -6.281 4.632 1.00 0.00 C ATOM 0 H ILE A 47 -0.696 -3.736 6.576 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.428 -2.855 3.955 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.859 -3.769 5.443 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.220 -5.199 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.662 -5.216 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.872 -4.204 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.592 -2.467 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.495 -3.394 2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.996 -7.230 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.812 -6.227 5.676 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.379 -6.210 3.989 1.00 0.00 H new ATOM 791 N ALA A 48 -2.316 -0.846 5.865 1.00 0.00 N ATOM 792 CA ALA A 48 -2.931 0.471 5.977 1.00 0.00 C ATOM 793 C ALA A 48 -1.907 1.601 5.837 1.00 0.00 C ATOM 794 O ALA A 48 -2.251 2.695 5.375 1.00 0.00 O ATOM 795 CB ALA A 48 -3.679 0.594 7.306 1.00 0.00 C ATOM 0 H ALA A 48 -2.456 -1.417 6.698 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.638 0.571 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.134 1.582 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.457 -0.168 7.358 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.980 0.456 8.131 1.00 0.00 H new ATOM 801 N GLU A 49 -0.659 1.365 6.232 1.00 0.00 N ATOM 802 CA GLU A 49 0.420 2.333 6.106 1.00 0.00 C ATOM 803 C GLU A 49 0.836 2.473 4.643 1.00 0.00 C ATOM 804 O GLU A 49 1.068 3.586 4.170 1.00 0.00 O ATOM 805 CB GLU A 49 1.595 1.930 7.014 1.00 0.00 C ATOM 806 CG GLU A 49 2.447 3.144 7.414 1.00 0.00 C ATOM 807 CD GLU A 49 1.703 4.171 8.283 1.00 0.00 C ATOM 808 OE1 GLU A 49 0.544 3.941 8.714 1.00 0.00 O ATOM 809 OE2 GLU A 49 2.311 5.217 8.592 1.00 0.00 O ATOM 0 H GLU A 49 -0.368 0.483 6.654 1.00 0.00 H new ATOM 0 HA GLU A 49 0.075 3.313 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.211 1.443 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.220 1.201 6.498 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.327 2.795 7.955 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.804 3.638 6.510 1.00 0.00 H new ATOM 816 N ALA A 50 0.820 1.367 3.893 1.00 0.00 N ATOM 817 CA ALA A 50 1.029 1.422 2.458 1.00 0.00 C ATOM 818 C ALA A 50 -0.207 1.996 1.764 1.00 0.00 C ATOM 819 O ALA A 50 -0.090 2.799 0.842 1.00 0.00 O ATOM 820 CB ALA A 50 1.369 0.032 1.917 1.00 0.00 C ATOM 0 H ALA A 50 0.664 0.429 4.262 1.00 0.00 H new ATOM 0 HA ALA A 50 1.871 2.081 2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.523 0.089 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.278 -0.332 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.548 -0.652 2.131 1.00 0.00 H new ATOM 826 N TYR A 51 -1.391 1.605 2.223 1.00 0.00 N ATOM 827 CA TYR A 51 -2.702 1.883 1.656 1.00 0.00 C ATOM 828 C TYR A 51 -2.885 3.391 1.505 1.00 0.00 C ATOM 829 O TYR A 51 -3.354 3.840 0.459 1.00 0.00 O ATOM 830 CB TYR A 51 -3.749 1.286 2.611 1.00 0.00 C ATOM 831 CG TYR A 51 -5.010 0.667 2.069 1.00 0.00 C ATOM 832 CD1 TYR A 51 -4.927 -0.540 1.349 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.258 1.144 2.502 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.089 -1.269 1.042 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.420 0.424 2.192 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.345 -0.782 1.462 1.00 0.00 C ATOM 837 OH TYR A 51 -8.495 -1.443 1.152 1.00 0.00 O ATOM 0 H TYR A 51 -1.462 1.040 3.069 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.811 1.439 0.666 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.245 0.523 3.205 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.048 2.078 3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.963 -0.909 1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.322 2.060 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.021 -2.194 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.382 0.795 2.515 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.795 -1.177 0.258 1.00 0.00 H new ATOM 847 N ASP A 52 -2.500 4.162 2.529 1.00 0.00 N ATOM 848 CA ASP A 52 -2.634 5.614 2.533 1.00 0.00 C ATOM 849 C ASP A 52 -1.805 6.214 1.405 1.00 0.00 C ATOM 850 O ASP A 52 -2.378 6.784 0.480 1.00 0.00 O ATOM 851 CB ASP A 52 -2.247 6.228 3.881 1.00 0.00 C ATOM 852 CG ASP A 52 -2.814 7.646 4.002 1.00 0.00 C ATOM 853 OD1 ASP A 52 -2.716 8.456 3.057 1.00 0.00 O ATOM 854 OD2 ASP A 52 -3.460 7.923 5.041 1.00 0.00 O ATOM 0 H ASP A 52 -2.084 3.788 3.382 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.685 5.851 2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.625 5.607 4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.162 6.253 3.978 1.00 0.00 H new ATOM 859 N VAL A 53 -0.490 5.976 1.400 1.00 0.00 N ATOM 860 CA VAL A 53 0.434 6.603 0.455 1.00 0.00 C ATOM 861 C VAL A 53 0.093 6.181 -0.956 1.00 0.00 C ATOM 862 O VAL A 53 0.114 6.992 -1.882 1.00 0.00 O ATOM 863 CB VAL A 53 1.868 6.149 0.773 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.838 6.379 -0.396 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.395 6.862 2.012 1.00 0.00 C ATOM 0 H VAL A 53 -0.036 5.340 2.055 1.00 0.00 H new ATOM 0 HA VAL A 53 0.352 7.686 0.542 1.00 0.00 H new ATOM 0 HB VAL A 53 1.816 5.076 0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.835 6.040 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.497 5.819 -1.267 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.871 7.441 -0.638 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.411 6.527 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.396 7.938 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.755 6.632 2.864 1.00 0.00 H new ATOM 875 N LEU A 54 -0.203 4.898 -1.144 1.00 0.00 N ATOM 876 CA LEU A 54 -0.535 4.398 -2.446 1.00 0.00 C ATOM 877 C LEU A 54 -1.838 5.041 -2.962 1.00 0.00 C ATOM 878 O LEU A 54 -2.080 5.017 -4.168 1.00 0.00 O ATOM 879 CB LEU A 54 -0.586 2.878 -2.381 1.00 0.00 C ATOM 880 CG LEU A 54 0.720 2.109 -2.091 1.00 0.00 C ATOM 881 CD1 LEU A 54 0.372 0.626 -1.943 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.760 2.251 -3.204 1.00 0.00 C ATOM 0 H LEU A 54 -0.216 4.197 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 54 0.229 4.673 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.310 2.603 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.978 2.519 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 54 1.156 2.528 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.279 0.058 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.331 0.498 -1.120 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.080 0.265 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.655 1.687 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.350 1.864 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.017 3.303 -3.329 1.00 0.00 H new ATOM 894 N SER A 55 -2.632 5.689 -2.103 1.00 0.00 N ATOM 895 CA SER A 55 -3.814 6.462 -2.455 1.00 0.00 C ATOM 896 C SER A 55 -3.628 7.980 -2.300 1.00 0.00 C ATOM 897 O SER A 55 -4.583 8.724 -2.541 1.00 0.00 O ATOM 898 CB SER A 55 -5.008 5.935 -1.659 1.00 0.00 C ATOM 899 OG SER A 55 -4.903 6.205 -0.271 1.00 0.00 O ATOM 0 H SER A 55 -2.454 5.685 -1.099 1.00 0.00 H new ATOM 0 HA SER A 55 -4.002 6.324 -3.520 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.923 6.385 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.094 4.859 -1.810 1.00 0.00 H new ATOM 0 HG SER A 55 -4.007 6.547 -0.071 1.00 0.00 H new ATOM 905 N ASP A 56 -2.441 8.480 -1.951 1.00 0.00 N ATOM 906 CA ASP A 56 -2.142 9.905 -1.976 1.00 0.00 C ATOM 907 C ASP A 56 -0.984 10.106 -2.947 1.00 0.00 C ATOM 908 O ASP A 56 0.179 9.974 -2.553 1.00 0.00 O ATOM 909 CB ASP A 56 -1.787 10.467 -0.596 1.00 0.00 C ATOM 910 CG ASP A 56 -1.401 11.952 -0.689 1.00 0.00 C ATOM 911 OD1 ASP A 56 -1.572 12.580 -1.760 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.958 12.547 0.318 1.00 0.00 O ATOM 0 H ASP A 56 -1.660 7.902 -1.642 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.032 10.448 -2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.636 10.350 0.078 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.960 9.899 -0.169 1.00 0.00 H new ATOM 917 N PRO A 57 -1.255 10.445 -4.216 1.00 0.00 N ATOM 918 CA PRO A 57 -0.201 10.598 -5.197 1.00 0.00 C ATOM 919 C PRO A 57 0.738 11.760 -4.870 1.00 0.00 C ATOM 920 O PRO A 57 1.825 11.803 -5.438 1.00 0.00 O ATOM 921 CB PRO A 57 -0.909 10.782 -6.537 1.00 0.00 C ATOM 922 CG PRO A 57 -2.262 11.375 -6.160 1.00 0.00 C ATOM 923 CD PRO A 57 -2.552 10.714 -4.815 1.00 0.00 C ATOM 0 HA PRO A 57 0.451 9.724 -5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.351 11.448 -7.195 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.021 9.834 -7.063 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.220 12.461 -6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.027 11.141 -6.900 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.148 11.368 -4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.120 9.793 -4.947 1.00 0.00 H new ATOM 931 N ARG A 58 0.384 12.678 -3.957 1.00 0.00 N ATOM 932 CA ARG A 58 1.331 13.685 -3.484 1.00 0.00 C ATOM 933 C ARG A 58 2.269 13.108 -2.430 1.00 0.00 C ATOM 934 O ARG A 58 3.441 13.484 -2.416 1.00 0.00 O ATOM 935 CB ARG A 58 0.628 14.954 -2.985 1.00 0.00 C ATOM 936 CG ARG A 58 0.332 15.929 -4.133 1.00 0.00 C ATOM 937 CD ARG A 58 -0.955 15.608 -4.907 1.00 0.00 C ATOM 938 NE ARG A 58 -2.160 15.936 -4.125 1.00 0.00 N ATOM 939 CZ ARG A 58 -2.636 17.174 -3.941 1.00 0.00 C ATOM 940 NH1 ARG A 58 -2.017 18.223 -4.480 1.00 0.00 N ATOM 941 NH2 ARG A 58 -3.731 17.358 -3.218 1.00 0.00 N ATOM 0 H ARG A 58 -0.544 12.739 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 58 1.937 13.982 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.304 14.682 -2.489 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.253 15.447 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.259 16.939 -3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.172 15.923 -4.827 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.966 16.167 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.968 14.550 -5.168 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.668 15.164 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -1.174 18.087 -5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.386 19.163 -4.335 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.209 16.558 -2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.096 18.300 -3.076 1.00 0.00 H new ATOM 955 N LYS A 59 1.846 12.141 -1.611 1.00 0.00 N ATOM 956 CA LYS A 59 2.783 11.532 -0.663 1.00 0.00 C ATOM 957 C LYS A 59 3.689 10.631 -1.496 1.00 0.00 C ATOM 958 O LYS A 59 4.914 10.629 -1.356 1.00 0.00 O ATOM 959 CB LYS A 59 2.051 10.713 0.411 1.00 0.00 C ATOM 960 CG LYS A 59 2.681 10.786 1.809 1.00 0.00 C ATOM 961 CD LYS A 59 4.201 10.810 1.999 1.00 0.00 C ATOM 962 CE LYS A 59 4.810 9.432 2.228 1.00 0.00 C ATOM 963 NZ LYS A 59 6.080 9.557 2.966 1.00 0.00 N ATOM 0 H LYS A 59 0.895 11.773 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 59 3.347 12.297 -0.129 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.019 11.059 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.019 9.670 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.287 11.682 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.304 9.932 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.661 11.260 1.119 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.442 11.450 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.115 8.807 2.788 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.983 8.939 1.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.488 8.612 3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.745 10.137 2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.904 10.010 3.886 1.00 0.00 H new ATOM 977 N ARG A 60 3.078 9.891 -2.423 1.00 0.00 N ATOM 978 CA ARG A 60 3.757 9.104 -3.428 1.00 0.00 C ATOM 979 C ARG A 60 4.604 9.948 -4.368 1.00 0.00 C ATOM 980 O ARG A 60 5.450 9.367 -5.016 1.00 0.00 O ATOM 981 CB ARG A 60 2.722 8.281 -4.211 1.00 0.00 C ATOM 982 CG ARG A 60 3.163 6.821 -4.317 1.00 0.00 C ATOM 983 CD ARG A 60 2.013 5.953 -4.826 1.00 0.00 C ATOM 984 NE ARG A 60 1.750 6.169 -6.259 1.00 0.00 N ATOM 985 CZ ARG A 60 0.567 6.356 -6.851 1.00 0.00 C ATOM 986 NH1 ARG A 60 -0.573 6.287 -6.181 1.00 0.00 N ATOM 987 NH2 ARG A 60 0.534 6.621 -8.146 1.00 0.00 N ATOM 0 H ARG A 60 2.062 9.828 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 60 4.451 8.437 -2.916 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.753 8.339 -3.715 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.595 8.701 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.015 6.740 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.494 6.463 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.249 4.903 -4.655 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.112 6.174 -4.255 1.00 0.00 H new ATOM 0 HE ARG A 60 2.566 6.177 -6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.566 6.086 -5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.459 6.435 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.403 6.680 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.360 6.767 -8.614 1.00 0.00 H new ATOM 1001 N GLU A 61 4.470 11.269 -4.446 1.00 0.00 N ATOM 1002 CA GLU A 61 5.289 12.109 -5.323 1.00 0.00 C ATOM 1003 C GLU A 61 6.768 12.055 -4.933 1.00 0.00 C ATOM 1004 O GLU A 61 7.649 12.321 -5.750 1.00 0.00 O ATOM 1005 CB GLU A 61 4.764 13.544 -5.297 1.00 0.00 C ATOM 1006 CG GLU A 61 5.154 14.373 -6.523 1.00 0.00 C ATOM 1007 CD GLU A 61 4.235 15.588 -6.699 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.924 16.289 -5.708 1.00 0.00 O ATOM 1009 OE2 GLU A 61 3.870 15.890 -7.860 1.00 0.00 O ATOM 0 H GLU A 61 3.786 11.793 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 61 5.215 11.723 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.677 13.521 -5.218 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.138 14.041 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.186 14.708 -6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.107 13.748 -7.415 1.00 0.00 H new ATOM 1016 N ILE A 62 7.036 11.714 -3.673 1.00 0.00 N ATOM 1017 CA ILE A 62 8.375 11.458 -3.165 1.00 0.00 C ATOM 1018 C ILE A 62 8.800 10.100 -3.734 1.00 0.00 C ATOM 1019 O ILE A 62 9.773 10.022 -4.482 1.00 0.00 O ATOM 1020 CB ILE A 62 8.378 11.472 -1.616 1.00 0.00 C ATOM 1021 CG1 ILE A 62 7.692 12.739 -1.052 1.00 0.00 C ATOM 1022 CG2 ILE A 62 9.825 11.365 -1.096 1.00 0.00 C ATOM 1023 CD1 ILE A 62 7.496 12.672 0.461 1.00 0.00 C ATOM 0 H ILE A 62 6.310 11.607 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 62 9.081 12.230 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 62 7.805 10.612 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.293 13.614 -1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.724 12.870 -1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.822 11.375 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 62 10.271 10.435 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.408 12.209 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.011 13.585 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.872 11.814 0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.465 12.569 0.949 1.00 0.00 H new ATOM 1035 N PHE A 63 8.031 9.051 -3.444 1.00 0.00 N ATOM 1036 CA PHE A 63 8.306 7.675 -3.838 1.00 0.00 C ATOM 1037 C PHE A 63 8.521 7.577 -5.351 1.00 0.00 C ATOM 1038 O PHE A 63 9.486 6.991 -5.823 1.00 0.00 O ATOM 1039 CB PHE A 63 7.095 6.824 -3.410 1.00 0.00 C ATOM 1040 CG PHE A 63 7.277 5.323 -3.472 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.454 4.670 -4.708 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.216 4.563 -2.288 1.00 0.00 C ATOM 1043 CE1 PHE A 63 7.585 3.275 -4.757 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.327 3.166 -2.344 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.494 2.521 -3.578 1.00 0.00 C ATOM 0 H PHE A 63 7.168 9.143 -2.908 1.00 0.00 H new ATOM 0 HA PHE A 63 9.217 7.317 -3.358 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.830 7.095 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.248 7.093 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.489 5.246 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.084 5.056 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.756 2.781 -5.702 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.284 2.585 -1.434 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.553 1.443 -3.620 1.00 0.00 H new ATOM 1055 N ASP A 64 7.603 8.141 -6.125 1.00 0.00 N ATOM 1056 CA ASP A 64 7.531 8.013 -7.569 1.00 0.00 C ATOM 1057 C ASP A 64 8.722 8.690 -8.238 1.00 0.00 C ATOM 1058 O ASP A 64 9.121 8.288 -9.329 1.00 0.00 O ATOM 1059 CB ASP A 64 6.215 8.635 -8.062 1.00 0.00 C ATOM 1060 CG ASP A 64 5.803 8.112 -9.434 1.00 0.00 C ATOM 1061 OD1 ASP A 64 5.742 6.873 -9.614 1.00 0.00 O ATOM 1062 OD2 ASP A 64 5.423 8.928 -10.306 1.00 0.00 O ATOM 0 H ASP A 64 6.858 8.724 -5.744 1.00 0.00 H new ATOM 0 HA ASP A 64 7.560 6.956 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.424 8.423 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.323 9.719 -8.107 1.00 0.00 H new ATOM 1067 N ARG A 65 9.318 9.702 -7.595 1.00 0.00 N ATOM 1068 CA ARG A 65 10.469 10.421 -8.128 1.00 0.00 C ATOM 1069 C ARG A 65 11.738 9.714 -7.663 1.00 0.00 C ATOM 1070 O ARG A 65 12.580 9.381 -8.491 1.00 0.00 O ATOM 1071 CB ARG A 65 10.430 11.886 -7.674 1.00 0.00 C ATOM 1072 CG ARG A 65 11.796 12.588 -7.678 1.00 0.00 C ATOM 1073 CD ARG A 65 11.661 14.070 -7.346 1.00 0.00 C ATOM 1074 NE ARG A 65 12.981 14.702 -7.395 1.00 0.00 N ATOM 1075 CZ ARG A 65 13.293 15.961 -7.090 1.00 0.00 C ATOM 1076 NH1 ARG A 65 12.357 16.843 -6.761 1.00 0.00 N ATOM 1077 NH2 ARG A 65 14.571 16.302 -7.107 1.00 0.00 N ATOM 0 H ARG A 65 9.009 10.043 -6.685 1.00 0.00 H new ATOM 0 HA ARG A 65 10.450 10.423 -9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.750 12.437 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.015 11.931 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 65 12.455 12.110 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.263 12.474 -8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.988 14.553 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.223 14.194 -6.356 1.00 0.00 H new ATOM 0 HE ARG A 65 13.753 14.108 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.377 16.562 -6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.618 17.802 -6.531 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.280 15.610 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.847 17.257 -6.879 1.00 0.00 H new ATOM 1091 N TYR A 66 11.910 9.581 -6.351 1.00 0.00 N ATOM 1092 CA TYR A 66 13.166 9.176 -5.726 1.00 0.00 C ATOM 1093 C TYR A 66 13.306 7.655 -5.602 1.00 0.00 C ATOM 1094 O TYR A 66 14.368 7.175 -5.194 1.00 0.00 O ATOM 1095 CB TYR A 66 13.254 9.810 -4.333 1.00 0.00 C ATOM 1096 CG TYR A 66 13.369 11.322 -4.301 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.604 11.937 -4.573 1.00 0.00 C ATOM 1098 CD2 TYR A 66 12.260 12.117 -3.958 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.722 13.336 -4.505 1.00 0.00 C ATOM 1100 CE2 TYR A 66 12.367 13.515 -3.908 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.607 14.134 -4.174 1.00 0.00 C ATOM 1102 OH TYR A 66 13.758 15.482 -4.120 1.00 0.00 O ATOM 0 H TYR A 66 11.164 9.756 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 66 13.978 9.520 -6.367 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.369 9.520 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.116 9.388 -3.816 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.462 11.335 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 66 11.315 11.646 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.674 13.804 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 66 11.503 14.116 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 66 12.903 15.898 -3.881 1.00 0.00 H new ATOM 1112 N GLY A 67 12.261 6.891 -5.912 1.00 0.00 N ATOM 1113 CA GLY A 67 12.173 5.489 -5.557 1.00 0.00 C ATOM 1114 C GLY A 67 11.945 5.329 -4.055 1.00 0.00 C ATOM 1115 O GLY A 67 11.736 6.302 -3.321 1.00 0.00 O ATOM 0 H GLY A 67 11.448 7.237 -6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.357 5.020 -6.106 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.090 4.976 -5.848 1.00 0.00 H new ATOM 1119 N GLU A 68 11.997 4.082 -3.589 1.00 0.00 N ATOM 1120 CA GLU A 68 11.877 3.741 -2.176 1.00 0.00 C ATOM 1121 C GLU A 68 13.023 4.348 -1.365 1.00 0.00 C ATOM 1122 O GLU A 68 12.843 4.601 -0.175 1.00 0.00 O ATOM 1123 CB GLU A 68 11.814 2.213 -1.999 1.00 0.00 C ATOM 1124 CG GLU A 68 10.433 1.712 -2.439 1.00 0.00 C ATOM 1125 CD GLU A 68 10.221 0.197 -2.431 1.00 0.00 C ATOM 1126 OE1 GLU A 68 11.083 -0.585 -1.977 1.00 0.00 O ATOM 1127 OE2 GLU A 68 9.145 -0.232 -2.901 1.00 0.00 O ATOM 0 H GLU A 68 12.126 3.270 -4.193 1.00 0.00 H new ATOM 0 HA GLU A 68 10.948 4.166 -1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.594 1.734 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.996 1.948 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.683 2.165 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.243 2.078 -3.448 1.00 0.00 H new ATOM 1134 N GLU A 69 14.164 4.649 -1.994 1.00 0.00 N ATOM 1135 CA GLU A 69 15.266 5.411 -1.406 1.00 0.00 C ATOM 1136 C GLU A 69 14.757 6.712 -0.782 1.00 0.00 C ATOM 1137 O GLU A 69 15.080 7.010 0.369 1.00 0.00 O ATOM 1138 CB GLU A 69 16.309 5.708 -2.497 1.00 0.00 C ATOM 1139 CG GLU A 69 17.285 4.541 -2.693 1.00 0.00 C ATOM 1140 CD GLU A 69 18.350 4.419 -1.602 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.489 5.306 -0.730 1.00 0.00 O ATOM 1142 OE2 GLU A 69 19.120 3.430 -1.617 1.00 0.00 O ATOM 0 H GLU A 69 14.350 4.360 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 69 15.726 4.822 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.800 5.916 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 69 16.867 6.606 -2.231 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.717 3.611 -2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.781 4.656 -3.657 1.00 0.00 H new ATOM 1149 N GLY A 70 13.915 7.457 -1.504 1.00 0.00 N ATOM 1150 CA GLY A 70 13.418 8.750 -1.055 1.00 0.00 C ATOM 1151 C GLY A 70 12.435 8.671 0.099 1.00 0.00 C ATOM 1152 O GLY A 70 12.116 9.707 0.690 1.00 0.00 O ATOM 0 H GLY A 70 13.561 7.175 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.264 9.368 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.937 9.253 -1.894 1.00 0.00 H new ATOM 1156 N LEU A 71 11.888 7.484 0.379 1.00 0.00 N ATOM 1157 CA LEU A 71 10.772 7.326 1.294 1.00 0.00 C ATOM 1158 C LEU A 71 11.306 7.346 2.725 1.00 0.00 C ATOM 1159 O LEU A 71 11.526 6.309 3.356 1.00 0.00 O ATOM 1160 CB LEU A 71 9.955 6.075 0.922 1.00 0.00 C ATOM 1161 CG LEU A 71 8.468 6.175 1.304 1.00 0.00 C ATOM 1162 CD1 LEU A 71 8.235 6.410 2.797 1.00 0.00 C ATOM 1163 CD2 LEU A 71 7.737 7.268 0.509 1.00 0.00 C ATOM 0 H LEU A 71 12.214 6.607 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 71 10.067 8.154 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.035 5.905 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.391 5.206 1.416 1.00 0.00 H new ATOM 0 HG LEU A 71 8.055 5.199 1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.164 6.470 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.663 5.585 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.712 7.343 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.691 7.301 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.203 8.234 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.798 7.046 -0.556 1.00 0.00 H new