USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 67 GLN : amide:sc= 0.106 X(o=0.35,f=-0.013) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -175:sc= 0.247 (180deg=0) USER MOD Set 2.1: A 30 HIS : no HD1:sc= -0.138 X(o=-5.8,f=-5.5) USER MOD Set 2.2: A 41 MET CE :methyl -147:sc= -5.71! (180deg=-6.64!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.09) USER MOD Single : A 25 GLN : amide:sc= -0.0481 K(o=-0.048,f=-1.7!) USER MOD Single : A 28 THR OG1 : rot 74:sc= 1.09 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 136:sc= -0.956 (180deg=-3.02!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= -0.0104 (180deg=-0.185) USER MOD Single : A 50 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.1) USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.786 (180deg=-0.952!) USER MOD Single : A 55 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.14) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -148:sc= -0.838 (180deg=-2.42!) USER MOD Single : A 66 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.754 -12.777 -0.808 1.00 0.00 N ATOM 67 CA PRO A 8 -1.742 -11.722 -1.827 1.00 0.00 C ATOM 68 C PRO A 8 -0.824 -10.564 -1.453 1.00 0.00 C ATOM 69 O PRO A 8 -0.607 -10.286 -0.273 1.00 0.00 O ATOM 70 CB PRO A 8 -3.200 -11.256 -1.870 1.00 0.00 C ATOM 71 CG PRO A 8 -3.744 -11.589 -0.524 1.00 0.00 C ATOM 72 CD PRO A 8 -3.036 -12.843 -0.090 1.00 0.00 C ATOM 0 HA PRO A 8 -1.366 -12.084 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.268 -10.187 -2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.755 -11.765 -2.658 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.566 -10.777 0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.822 -11.744 -0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.891 -12.869 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.601 -13.736 -0.357 1.00 0.00 H new ATOM 80 N LYS A 9 -0.285 -9.893 -2.464 1.00 0.00 N ATOM 81 CA LYS A 9 0.610 -8.762 -2.242 1.00 0.00 C ATOM 82 C LYS A 9 -0.161 -7.446 -2.257 1.00 0.00 C ATOM 83 O LYS A 9 -0.635 -7.005 -3.303 1.00 0.00 O ATOM 84 CB LYS A 9 1.705 -8.735 -3.311 1.00 0.00 C ATOM 85 CG LYS A 9 2.808 -7.730 -3.027 1.00 0.00 C ATOM 86 CD LYS A 9 3.764 -7.605 -4.201 1.00 0.00 C ATOM 87 CE LYS A 9 4.856 -6.584 -3.923 1.00 0.00 C ATOM 88 NZ LYS A 9 4.414 -5.198 -4.242 1.00 0.00 N ATOM 0 H LYS A 9 -0.452 -10.112 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 9 1.070 -8.882 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.144 -9.729 -3.395 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.254 -8.503 -4.276 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.368 -6.757 -2.810 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.360 -8.036 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.216 -8.575 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.210 -7.313 -5.093 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.147 -6.640 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.740 -6.828 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.186 -4.532 -4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.160 -5.138 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.586 -4.955 -3.661 1.00 0.00 H new ATOM 102 N ALA A 10 -0.282 -6.824 -1.090 1.00 0.00 N ATOM 103 CA ALA A 10 -0.992 -5.557 -0.969 1.00 0.00 C ATOM 104 C ALA A 10 -0.608 -4.603 -2.095 1.00 0.00 C ATOM 105 O ALA A 10 0.512 -4.097 -2.156 1.00 0.00 O ATOM 106 CB ALA A 10 -0.711 -4.920 0.384 1.00 0.00 C ATOM 0 H ALA A 10 0.103 -7.177 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.060 -5.759 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.248 -3.975 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.042 -5.590 1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.359 -4.739 0.486 1.00 0.00 H new ATOM 112 N PRO A 11 -1.558 -4.350 -3.008 1.00 0.00 N ATOM 113 CA PRO A 11 -1.341 -3.455 -4.148 1.00 0.00 C ATOM 114 C PRO A 11 -1.222 -1.995 -3.725 1.00 0.00 C ATOM 115 O PRO A 11 -1.528 -1.641 -2.586 1.00 0.00 O ATOM 116 CB PRO A 11 -2.593 -3.663 -5.005 1.00 0.00 C ATOM 117 CG PRO A 11 -3.637 -4.118 -4.045 1.00 0.00 C ATOM 118 CD PRO A 11 -2.916 -4.918 -2.996 1.00 0.00 C ATOM 0 HA PRO A 11 -0.409 -3.677 -4.668 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.889 -2.740 -5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.421 -4.406 -5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.155 -3.268 -3.600 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.391 -4.724 -4.547 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.386 -4.815 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.909 -5.981 -3.236 1.00 0.00 H new ATOM 126 N VAL A 12 -0.774 -1.151 -4.648 1.00 0.00 N ATOM 127 CA VAL A 12 -0.616 0.272 -4.371 1.00 0.00 C ATOM 128 C VAL A 12 -1.941 1.012 -4.519 1.00 0.00 C ATOM 129 O VAL A 12 -2.615 0.903 -5.544 1.00 0.00 O ATOM 130 CB VAL A 12 0.425 0.914 -5.308 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.794 0.285 -5.097 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.012 0.784 -6.759 1.00 0.00 C ATOM 0 H VAL A 12 -0.514 -1.428 -5.595 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.269 0.357 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 12 0.498 1.975 -5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.516 0.751 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.108 0.435 -4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.740 -0.783 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.735 1.243 -7.407 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.115 -0.271 -7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.969 1.286 -6.897 1.00 0.00 H new ATOM 142 N THR A 13 -2.310 1.766 -3.488 1.00 0.00 N ATOM 143 CA THR A 13 -3.555 2.524 -3.503 1.00 0.00 C ATOM 144 C THR A 13 -3.387 3.842 -4.249 1.00 0.00 C ATOM 145 O THR A 13 -2.268 4.307 -4.465 1.00 0.00 O ATOM 146 CB THR A 13 -4.052 2.815 -2.074 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.248 3.601 -2.122 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.989 3.548 -1.271 1.00 0.00 C ATOM 0 H THR A 13 -1.764 1.868 -2.632 1.00 0.00 H new ATOM 0 HA THR A 13 -4.293 1.910 -4.019 1.00 0.00 H new ATOM 0 HB THR A 13 -4.263 1.864 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.558 3.780 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.362 3.743 -0.266 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.090 2.934 -1.212 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.751 4.493 -1.759 1.00 0.00 H new ATOM 156 N GLY A 14 -4.508 4.443 -4.641 1.00 0.00 N ATOM 157 CA GLY A 14 -4.461 5.703 -5.359 1.00 0.00 C ATOM 158 C GLY A 14 -3.325 6.593 -4.897 1.00 0.00 C ATOM 159 O GLY A 14 -2.705 7.288 -5.701 1.00 0.00 O ATOM 0 H GLY A 14 -5.446 4.079 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.353 5.506 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.407 6.228 -5.226 1.00 0.00 H new ATOM 163 N TYR A 15 -3.051 6.573 -3.597 1.00 0.00 N ATOM 164 CA TYR A 15 -1.985 7.387 -3.028 1.00 0.00 C ATOM 165 C TYR A 15 -0.626 6.968 -3.580 1.00 0.00 C ATOM 166 O TYR A 15 0.070 7.761 -4.215 1.00 0.00 O ATOM 167 CB TYR A 15 -1.985 7.272 -1.502 1.00 0.00 C ATOM 168 CG TYR A 15 -0.904 8.090 -0.833 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.725 9.431 -1.149 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.062 7.522 0.116 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.261 10.183 -0.540 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.926 8.266 0.730 1.00 0.00 C ATOM 173 CZ TYR A 15 1.084 9.596 0.399 1.00 0.00 C ATOM 174 OH TYR A 15 2.068 10.342 1.008 1.00 0.00 O ATOM 0 H TYR A 15 -3.553 6.001 -2.918 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.167 8.425 -3.308 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.956 7.589 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.861 6.225 -1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.368 9.894 -1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.183 6.481 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.387 11.224 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.572 7.809 1.465 1.00 0.00 H new ATOM 0 HH TYR A 15 2.558 9.780 1.644 1.00 0.00 H new ATOM 184 N VAL A 16 -0.254 5.716 -3.334 1.00 0.00 N ATOM 185 CA VAL A 16 1.020 5.190 -3.808 1.00 0.00 C ATOM 186 C VAL A 16 1.059 5.133 -5.331 1.00 0.00 C ATOM 187 O VAL A 16 1.988 5.642 -5.958 1.00 0.00 O ATOM 188 CB VAL A 16 1.290 3.781 -3.245 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.484 3.148 -3.940 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.509 3.842 -1.741 1.00 0.00 C ATOM 0 H VAL A 16 -0.817 5.047 -2.809 1.00 0.00 H new ATOM 0 HA VAL A 16 1.795 5.870 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 16 0.416 3.158 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.659 2.154 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.283 3.069 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.367 3.767 -3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.698 2.838 -1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.365 4.480 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.620 4.251 -1.260 1.00 0.00 H new ATOM 200 N ARG A 17 0.044 4.510 -5.920 1.00 0.00 N ATOM 201 CA ARG A 17 -0.038 4.385 -7.371 1.00 0.00 C ATOM 202 C ARG A 17 0.437 5.664 -8.054 1.00 0.00 C ATOM 203 O ARG A 17 1.194 5.618 -9.024 1.00 0.00 O ATOM 204 CB ARG A 17 -1.474 4.070 -7.797 1.00 0.00 C ATOM 205 CG ARG A 17 -1.575 3.439 -9.176 1.00 0.00 C ATOM 206 CD ARG A 17 -3.017 3.369 -9.652 1.00 0.00 C ATOM 207 NE ARG A 17 -3.108 3.180 -11.097 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.741 4.099 -11.983 1.00 0.00 C ATOM 209 NH1 ARG A 17 -2.260 5.264 -11.573 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.854 3.852 -13.282 1.00 0.00 N ATOM 0 H ARG A 17 -0.733 4.084 -5.415 1.00 0.00 H new ATOM 0 HA ARG A 17 0.613 3.566 -7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.922 3.398 -7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.058 4.990 -7.784 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.984 4.017 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.150 2.436 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.526 2.548 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.536 4.286 -9.373 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.473 2.294 -11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.171 5.456 -10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.979 5.968 -12.255 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.223 2.956 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.572 4.558 -13.962 1.00 0.00 H new ATOM 224 N PHE A 18 -0.014 6.805 -7.542 1.00 0.00 N ATOM 225 CA PHE A 18 0.363 8.097 -8.103 1.00 0.00 C ATOM 226 C PHE A 18 1.807 8.444 -7.747 1.00 0.00 C ATOM 227 O PHE A 18 2.580 8.884 -8.599 1.00 0.00 O ATOM 228 CB PHE A 18 -0.576 9.192 -7.595 1.00 0.00 C ATOM 229 CG PHE A 18 0.055 10.554 -7.558 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.907 10.908 -6.524 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.203 11.480 -8.555 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.490 12.162 -6.486 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.377 12.733 -8.523 1.00 0.00 C ATOM 234 CZ PHE A 18 1.224 13.076 -7.487 1.00 0.00 C ATOM 0 H PHE A 18 -0.641 6.861 -6.739 1.00 0.00 H new ATOM 0 HA PHE A 18 0.280 8.032 -9.188 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.459 9.227 -8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.917 8.931 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.118 10.197 -5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.866 11.219 -9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.152 12.426 -5.675 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.168 13.445 -9.308 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.677 14.056 -7.460 1.00 0.00 H new ATOM 244 N LEU A 19 2.162 8.242 -6.483 1.00 0.00 N ATOM 245 CA LEU A 19 3.512 8.534 -6.012 1.00 0.00 C ATOM 246 C LEU A 19 4.555 7.860 -6.899 1.00 0.00 C ATOM 247 O LEU A 19 5.591 8.448 -7.211 1.00 0.00 O ATOM 248 CB LEU A 19 3.680 8.070 -4.564 1.00 0.00 C ATOM 249 CG LEU A 19 3.207 9.047 -3.488 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.748 8.293 -2.249 1.00 0.00 C ATOM 251 CD2 LEU A 19 4.314 10.030 -3.136 1.00 0.00 C ATOM 0 H LEU A 19 1.535 7.877 -5.766 1.00 0.00 H new ATOM 0 HA LEU A 19 3.662 9.612 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.138 7.132 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.735 7.854 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 19 2.361 9.610 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.415 9.004 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.924 7.629 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.576 7.705 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.959 10.718 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.180 9.484 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.597 10.593 -4.025 1.00 0.00 H new ATOM 263 N ASN A 20 4.273 6.626 -7.302 1.00 0.00 N ATOM 264 CA ASN A 20 5.186 5.873 -8.155 1.00 0.00 C ATOM 265 C ASN A 20 5.279 6.503 -9.542 1.00 0.00 C ATOM 266 O ASN A 20 6.337 6.985 -9.945 1.00 0.00 O ATOM 267 CB ASN A 20 4.726 4.419 -8.271 1.00 0.00 C ATOM 268 CG ASN A 20 5.298 3.541 -7.174 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.335 2.903 -7.351 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.621 3.507 -6.032 1.00 0.00 N ATOM 0 H ASN A 20 3.420 6.126 -7.052 1.00 0.00 H new ATOM 0 HA ASN A 20 6.175 5.898 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.637 4.381 -8.232 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.024 4.023 -9.242 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.957 2.935 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.765 4.053 -5.930 1.00 0.00 H new ATOM 277 N GLU A 21 4.164 6.492 -10.265 1.00 0.00 N ATOM 278 CA GLU A 21 4.121 7.062 -11.607 1.00 0.00 C ATOM 279 C GLU A 21 4.888 8.379 -11.664 1.00 0.00 C ATOM 280 O GLU A 21 5.640 8.632 -12.606 1.00 0.00 O ATOM 281 CB GLU A 21 2.671 7.283 -12.044 1.00 0.00 C ATOM 282 CG GLU A 21 2.518 7.549 -13.533 1.00 0.00 C ATOM 283 CD GLU A 21 2.706 6.299 -14.370 1.00 0.00 C ATOM 284 OE1 GLU A 21 2.218 5.227 -13.953 1.00 0.00 O ATOM 285 OE2 GLU A 21 3.340 6.392 -15.441 1.00 0.00 O ATOM 0 H GLU A 21 3.280 6.096 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 21 4.595 6.357 -12.289 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.082 6.405 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.257 8.125 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.529 7.965 -13.724 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.245 8.301 -13.841 1.00 0.00 H new ATOM 292 N ARG A 22 4.692 9.216 -10.650 1.00 0.00 N ATOM 293 CA ARG A 22 5.364 10.508 -10.586 1.00 0.00 C ATOM 294 C ARG A 22 6.806 10.348 -10.116 1.00 0.00 C ATOM 295 O ARG A 22 7.707 11.034 -10.601 1.00 0.00 O ATOM 296 CB ARG A 22 4.611 11.451 -9.645 1.00 0.00 C ATOM 297 CG ARG A 22 3.324 12.002 -10.235 1.00 0.00 C ATOM 298 CD ARG A 22 3.575 13.276 -11.027 1.00 0.00 C ATOM 299 NE ARG A 22 2.346 13.810 -11.609 1.00 0.00 N ATOM 300 CZ ARG A 22 1.709 13.243 -12.628 1.00 0.00 C ATOM 301 NH1 ARG A 22 2.181 12.131 -13.173 1.00 0.00 N ATOM 302 NH2 ARG A 22 0.596 13.789 -13.101 1.00 0.00 N ATOM 0 H ARG A 22 4.074 9.022 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 22 5.373 10.936 -11.589 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.379 10.920 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.264 12.282 -9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.870 11.253 -10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.613 12.204 -9.434 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.023 14.026 -10.375 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.294 13.074 -11.821 1.00 0.00 H new ATOM 0 HE ARG A 22 1.956 14.664 -11.212 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.035 11.708 -12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.690 11.698 -13.955 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.229 14.644 -12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.107 13.354 -13.883 1.00 0.00 H new ATOM 316 N ARG A 23 7.018 9.439 -9.170 1.00 0.00 N ATOM 317 CA ARG A 23 8.350 9.190 -8.634 1.00 0.00 C ATOM 318 C ARG A 23 9.386 9.141 -9.753 1.00 0.00 C ATOM 319 O ARG A 23 10.500 9.643 -9.603 1.00 0.00 O ATOM 320 CB ARG A 23 8.371 7.877 -7.849 1.00 0.00 C ATOM 321 CG ARG A 23 9.755 7.480 -7.363 1.00 0.00 C ATOM 322 CD ARG A 23 10.485 6.634 -8.395 1.00 0.00 C ATOM 323 NE ARG A 23 11.687 6.014 -7.843 1.00 0.00 N ATOM 324 CZ ARG A 23 12.491 5.220 -8.542 1.00 0.00 C ATOM 325 NH1 ARG A 23 12.224 4.953 -9.813 1.00 0.00 N ATOM 326 NH2 ARG A 23 13.566 4.694 -7.969 1.00 0.00 N ATOM 0 H ARG A 23 6.284 8.863 -8.759 1.00 0.00 H new ATOM 0 HA ARG A 23 8.603 10.011 -7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.705 7.966 -6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.974 7.081 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.337 8.376 -7.147 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.669 6.924 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.815 5.859 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.757 7.257 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 23 11.922 6.201 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.399 5.358 -10.257 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.843 4.343 -10.347 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.775 4.899 -6.992 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.183 4.084 -8.506 1.00 0.00 H new ATOM 340 N GLU A 24 9.012 8.532 -10.874 1.00 0.00 N ATOM 341 CA GLU A 24 9.909 8.417 -12.018 1.00 0.00 C ATOM 342 C GLU A 24 10.251 9.793 -12.582 1.00 0.00 C ATOM 343 O GLU A 24 11.390 10.050 -12.970 1.00 0.00 O ATOM 344 CB GLU A 24 9.274 7.551 -13.107 1.00 0.00 C ATOM 345 CG GLU A 24 8.394 8.330 -14.069 1.00 0.00 C ATOM 346 CD GLU A 24 7.484 7.433 -14.885 1.00 0.00 C ATOM 347 OE1 GLU A 24 7.899 6.299 -15.203 1.00 0.00 O ATOM 348 OE2 GLU A 24 6.357 7.864 -15.206 1.00 0.00 O ATOM 0 H GLU A 24 8.094 8.111 -11.014 1.00 0.00 H new ATOM 0 HA GLU A 24 10.830 7.943 -11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.064 7.055 -13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.679 6.769 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.788 9.041 -13.507 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.024 8.911 -14.742 1.00 0.00 H new ATOM 355 N GLN A 25 9.255 10.673 -12.625 1.00 0.00 N ATOM 356 CA GLN A 25 9.450 12.021 -13.143 1.00 0.00 C ATOM 357 C GLN A 25 10.451 12.793 -12.289 1.00 0.00 C ATOM 358 O GLN A 25 11.233 13.592 -12.803 1.00 0.00 O ATOM 359 CB GLN A 25 8.117 12.771 -13.190 1.00 0.00 C ATOM 360 CG GLN A 25 7.049 12.061 -14.006 1.00 0.00 C ATOM 361 CD GLN A 25 7.178 12.328 -15.493 1.00 0.00 C ATOM 362 OE1 GLN A 25 8.005 13.134 -15.921 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.361 11.650 -16.290 1.00 0.00 N ATOM 0 H GLN A 25 8.306 10.476 -12.307 1.00 0.00 H new ATOM 0 HA GLN A 25 9.849 11.940 -14.154 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.752 12.911 -12.172 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.283 13.764 -13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.113 10.988 -13.826 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.064 12.383 -13.667 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.691 10.992 -15.893 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.404 11.787 -17.300 1.00 0.00 H new ATOM 372 N ILE A 26 10.419 12.549 -10.983 1.00 0.00 N ATOM 373 CA ILE A 26 11.323 13.221 -10.058 1.00 0.00 C ATOM 374 C ILE A 26 12.750 12.705 -10.212 1.00 0.00 C ATOM 375 O ILE A 26 13.710 13.469 -10.118 1.00 0.00 O ATOM 376 CB ILE A 26 10.876 13.032 -8.597 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.419 13.465 -8.426 1.00 0.00 C ATOM 378 CG2 ILE A 26 11.781 13.819 -7.660 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.200 14.946 -8.636 1.00 0.00 C ATOM 0 H ILE A 26 9.777 11.891 -10.542 1.00 0.00 H new ATOM 0 HA ILE A 26 11.294 14.283 -10.304 1.00 0.00 H new ATOM 0 HB ILE A 26 10.953 11.975 -8.343 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.799 12.911 -9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.083 13.195 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.452 13.675 -6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 26 12.807 13.468 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 26 11.732 14.878 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.144 15.181 -8.499 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.793 15.507 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.504 15.219 -9.646 1.00 0.00 H new ATOM 391 N ARG A 27 12.880 11.404 -10.452 1.00 0.00 N ATOM 392 CA ARG A 27 14.190 10.786 -10.621 1.00 0.00 C ATOM 393 C ARG A 27 14.850 11.254 -11.915 1.00 0.00 C ATOM 394 O ARG A 27 16.047 11.539 -11.946 1.00 0.00 O ATOM 395 CB ARG A 27 14.061 9.262 -10.624 1.00 0.00 C ATOM 396 CG ARG A 27 13.700 8.678 -9.268 1.00 0.00 C ATOM 397 CD ARG A 27 14.939 8.410 -8.428 1.00 0.00 C ATOM 398 NE ARG A 27 15.853 7.479 -9.086 1.00 0.00 N ATOM 399 CZ ARG A 27 16.937 6.978 -8.502 1.00 0.00 C ATOM 400 NH1 ARG A 27 17.240 7.317 -7.257 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.719 6.137 -9.165 1.00 0.00 N ATOM 0 H ARG A 27 12.095 10.758 -10.534 1.00 0.00 H new ATOM 0 HA ARG A 27 14.818 11.090 -9.783 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.301 8.972 -11.349 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.003 8.827 -10.958 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.042 9.366 -8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.145 7.750 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.456 9.350 -8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.641 8.004 -7.461 1.00 0.00 H new ATOM 0 HE ARG A 27 15.648 7.198 -10.045 1.00 0.00 H new ATOM 0 HH11 ARG A 27 16.641 7.964 -6.744 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.072 6.931 -6.812 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.489 5.874 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.551 5.753 -8.717 1.00 0.00 H new ATOM 415 N THR A 28 14.060 11.332 -12.982 1.00 0.00 N ATOM 416 CA THR A 28 14.567 11.763 -14.278 1.00 0.00 C ATOM 417 C THR A 28 15.144 13.172 -14.202 1.00 0.00 C ATOM 418 O THR A 28 16.146 13.479 -14.848 1.00 0.00 O ATOM 419 CB THR A 28 13.463 11.729 -15.352 1.00 0.00 C ATOM 420 OG1 THR A 28 12.784 10.469 -15.318 1.00 0.00 O ATOM 421 CG2 THR A 28 14.050 11.958 -16.737 1.00 0.00 C ATOM 0 H THR A 28 13.066 11.102 -12.973 1.00 0.00 H new ATOM 0 HA THR A 28 15.357 11.065 -14.557 1.00 0.00 H new ATOM 0 HB THR A 28 12.753 12.528 -15.138 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.197 10.435 -14.534 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.252 11.930 -17.479 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.540 12.931 -16.768 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.778 11.177 -16.957 1.00 0.00 H new ATOM 429 N ARG A 29 14.505 14.025 -13.408 1.00 0.00 N ATOM 430 CA ARG A 29 14.955 15.403 -13.248 1.00 0.00 C ATOM 431 C ARG A 29 16.087 15.490 -12.230 1.00 0.00 C ATOM 432 O ARG A 29 17.120 16.109 -12.485 1.00 0.00 O ATOM 433 CB ARG A 29 13.791 16.294 -12.811 1.00 0.00 C ATOM 434 CG ARG A 29 13.019 16.901 -13.970 1.00 0.00 C ATOM 435 CD ARG A 29 11.615 17.309 -13.553 1.00 0.00 C ATOM 436 NE ARG A 29 11.017 18.254 -14.492 1.00 0.00 N ATOM 437 CZ ARG A 29 9.771 18.703 -14.390 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.996 18.297 -13.395 1.00 0.00 N ATOM 439 NH2 ARG A 29 9.299 19.562 -15.284 1.00 0.00 N ATOM 0 H ARG A 29 13.675 13.787 -12.866 1.00 0.00 H new ATOM 0 HA ARG A 29 15.328 15.751 -14.211 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.107 15.708 -12.197 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.176 17.097 -12.182 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.554 17.772 -14.349 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.962 16.182 -14.787 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.986 16.422 -13.482 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.648 17.757 -12.560 1.00 0.00 H new ATOM 0 HE ARG A 29 11.587 18.588 -15.269 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.356 17.638 -12.705 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.040 18.644 -13.319 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.893 19.878 -16.051 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.342 19.906 -15.205 1.00 0.00 H new ATOM 453 N HIS A 30 15.885 14.866 -11.073 1.00 0.00 N ATOM 454 CA HIS A 30 16.890 14.873 -10.015 1.00 0.00 C ATOM 455 C HIS A 30 17.295 13.451 -9.642 1.00 0.00 C ATOM 456 O HIS A 30 16.821 12.882 -8.658 1.00 0.00 O ATOM 457 CB HIS A 30 16.357 15.604 -8.782 1.00 0.00 C ATOM 458 CG HIS A 30 15.461 16.758 -9.111 1.00 0.00 C ATOM 459 ND1 HIS A 30 15.932 18.027 -9.375 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.113 16.829 -9.219 1.00 0.00 C ATOM 461 CE1 HIS A 30 14.913 18.828 -9.630 1.00 0.00 C ATOM 462 NE2 HIS A 30 13.798 18.125 -9.542 1.00 0.00 N ATOM 0 H HIS A 30 15.035 14.350 -10.845 1.00 0.00 H new ATOM 0 HA HIS A 30 17.770 15.397 -10.387 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.810 14.897 -8.158 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.199 15.965 -8.192 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.416 16.017 -9.077 1.00 0.00 H new ATOM 0 HE1 HIS A 30 14.980 19.879 -9.870 1.00 0.00 H new ATOM 0 HE2 HIS A 30 12.856 18.487 -9.690 1.00 0.00 H new ATOM 471 N PRO A 31 18.193 12.860 -10.444 1.00 0.00 N ATOM 472 CA PRO A 31 18.681 11.496 -10.217 1.00 0.00 C ATOM 473 C PRO A 31 19.573 11.398 -8.985 1.00 0.00 C ATOM 474 O PRO A 31 20.057 10.319 -8.642 1.00 0.00 O ATOM 475 CB PRO A 31 19.485 11.193 -11.485 1.00 0.00 C ATOM 476 CG PRO A 31 19.908 12.527 -11.993 1.00 0.00 C ATOM 477 CD PRO A 31 18.801 13.479 -11.634 1.00 0.00 C ATOM 0 HA PRO A 31 17.866 10.796 -10.034 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.346 10.561 -11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.880 10.663 -12.220 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.850 12.836 -11.540 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.066 12.501 -13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.183 14.477 -11.417 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.081 13.583 -12.446 1.00 0.00 H new ATOM 485 N ASP A 32 19.786 12.529 -8.322 1.00 0.00 N ATOM 486 CA ASP A 32 20.619 12.569 -7.126 1.00 0.00 C ATOM 487 C ASP A 32 19.759 12.581 -5.865 1.00 0.00 C ATOM 488 O ASP A 32 20.195 12.145 -4.799 1.00 0.00 O ATOM 489 CB ASP A 32 21.526 13.800 -7.151 1.00 0.00 C ATOM 490 CG ASP A 32 22.183 14.007 -8.501 1.00 0.00 C ATOM 491 OD1 ASP A 32 22.904 13.095 -8.957 1.00 0.00 O ATOM 492 OD2 ASP A 32 21.977 15.082 -9.102 1.00 0.00 O ATOM 0 H ASP A 32 19.393 13.431 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 32 21.238 11.672 -7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.941 14.684 -6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.297 13.696 -6.387 1.00 0.00 H new ATOM 497 N LEU A 33 18.536 13.084 -5.995 1.00 0.00 N ATOM 498 CA LEU A 33 17.614 13.154 -4.866 1.00 0.00 C ATOM 499 C LEU A 33 17.385 11.771 -4.264 1.00 0.00 C ATOM 500 O LEU A 33 16.889 10.855 -4.920 1.00 0.00 O ATOM 501 CB LEU A 33 16.280 13.757 -5.309 1.00 0.00 C ATOM 502 CG LEU A 33 16.231 15.282 -5.401 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.791 15.768 -5.454 1.00 0.00 C ATOM 504 CD2 LEU A 33 16.966 15.912 -4.227 1.00 0.00 C ATOM 0 H LEU A 33 18.160 13.449 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 33 18.059 13.793 -4.103 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.025 13.346 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.507 13.430 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 33 16.730 15.587 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.776 16.856 -5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.296 15.345 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.267 15.452 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.920 16.998 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.497 15.599 -3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.008 15.591 -4.235 1.00 0.00 H new ATOM 516 N PRO A 34 17.753 11.615 -2.983 1.00 0.00 N ATOM 517 CA PRO A 34 17.595 10.349 -2.262 1.00 0.00 C ATOM 518 C PRO A 34 16.132 10.019 -1.985 1.00 0.00 C ATOM 519 O PRO A 34 15.262 10.885 -2.074 1.00 0.00 O ATOM 520 CB PRO A 34 18.347 10.590 -0.951 1.00 0.00 C ATOM 521 CG PRO A 34 18.310 12.067 -0.760 1.00 0.00 C ATOM 522 CD PRO A 34 18.351 12.664 -2.140 1.00 0.00 C ATOM 0 HA PRO A 34 17.973 9.503 -2.836 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.870 10.071 -0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.372 10.224 -1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.407 12.370 -0.231 1.00 0.00 H new ATOM 0 HG3 PRO A 34 19.157 12.405 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.784 13.594 -2.193 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.371 12.894 -2.448 1.00 0.00 H new ATOM 530 N PHE A 35 15.868 8.761 -1.648 1.00 0.00 N ATOM 531 CA PHE A 35 14.509 8.315 -1.358 1.00 0.00 C ATOM 532 C PHE A 35 13.768 9.348 -0.514 1.00 0.00 C ATOM 533 O PHE A 35 12.715 9.859 -0.897 1.00 0.00 O ATOM 534 CB PHE A 35 14.535 6.970 -0.629 1.00 0.00 C ATOM 535 CG PHE A 35 13.397 6.787 0.333 1.00 0.00 C ATOM 536 CD1 PHE A 35 12.110 7.165 -0.015 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.613 6.238 1.587 1.00 0.00 C ATOM 538 CE1 PHE A 35 11.061 6.999 0.869 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.568 6.069 2.475 1.00 0.00 C ATOM 540 CZ PHE A 35 11.290 6.449 2.115 1.00 0.00 C ATOM 0 H PHE A 35 16.577 8.032 -1.569 1.00 0.00 H new ATOM 0 HA PHE A 35 13.982 8.197 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.511 6.166 -1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.476 6.878 -0.087 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.925 7.594 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.610 5.939 1.874 1.00 0.00 H new ATOM 0 HE1 PHE A 35 10.063 7.299 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.750 5.640 3.449 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.471 6.316 2.807 1.00 0.00 H new ATOM 550 N PRO A 36 14.329 9.666 0.662 1.00 0.00 N ATOM 551 CA PRO A 36 13.738 10.639 1.584 1.00 0.00 C ATOM 552 C PRO A 36 13.819 12.066 1.051 1.00 0.00 C ATOM 553 O PRO A 36 13.706 13.029 1.809 1.00 0.00 O ATOM 554 CB PRO A 36 14.590 10.492 2.848 1.00 0.00 C ATOM 555 CG PRO A 36 15.898 9.970 2.365 1.00 0.00 C ATOM 556 CD PRO A 36 15.584 9.097 1.182 1.00 0.00 C ATOM 0 HA PRO A 36 12.676 10.455 1.745 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.709 11.448 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.128 9.807 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.563 10.786 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.404 9.402 3.146 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.379 9.129 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.462 8.054 1.473 1.00 0.00 H new ATOM 564 N GLU A 37 14.015 12.193 -0.258 1.00 0.00 N ATOM 565 CA GLU A 37 14.111 13.503 -0.892 1.00 0.00 C ATOM 566 C GLU A 37 13.199 13.585 -2.112 1.00 0.00 C ATOM 567 O GLU A 37 12.846 14.675 -2.563 1.00 0.00 O ATOM 568 CB GLU A 37 15.557 13.791 -1.302 1.00 0.00 C ATOM 569 CG GLU A 37 16.364 14.502 -0.229 1.00 0.00 C ATOM 570 CD GLU A 37 16.123 16.000 -0.213 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.634 16.532 -1.231 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.422 16.638 0.818 1.00 0.00 O ATOM 0 H GLU A 37 14.110 11.406 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 37 13.790 14.253 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 37 16.049 12.851 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.555 14.400 -2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.110 14.087 0.746 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.425 14.310 -0.391 1.00 0.00 H new ATOM 579 N ILE A 38 12.823 12.426 -2.641 1.00 0.00 N ATOM 580 CA ILE A 38 11.952 12.366 -3.809 1.00 0.00 C ATOM 581 C ILE A 38 10.488 12.247 -3.397 1.00 0.00 C ATOM 582 O ILE A 38 9.602 12.807 -4.044 1.00 0.00 O ATOM 583 CB ILE A 38 12.314 11.180 -4.722 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.730 11.350 -5.277 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.306 11.057 -5.855 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.229 10.142 -6.038 1.00 0.00 C ATOM 0 H ILE A 38 13.108 11.516 -2.280 1.00 0.00 H new ATOM 0 HA ILE A 38 12.099 13.295 -4.360 1.00 0.00 H new ATOM 0 HB ILE A 38 12.282 10.263 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.752 12.219 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.412 11.557 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.575 10.214 -6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.311 10.895 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.309 11.973 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.238 10.333 -6.402 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.240 9.275 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.569 9.946 -6.883 1.00 0.00 H new ATOM 598 N THR A 39 10.241 11.516 -2.315 1.00 0.00 N ATOM 599 CA THR A 39 8.885 11.325 -1.816 1.00 0.00 C ATOM 600 C THR A 39 8.343 12.605 -1.191 1.00 0.00 C ATOM 601 O THR A 39 7.165 12.929 -1.339 1.00 0.00 O ATOM 602 CB THR A 39 8.826 10.193 -0.772 1.00 0.00 C ATOM 603 OG1 THR A 39 8.897 8.920 -1.425 1.00 0.00 O ATOM 604 CG2 THR A 39 7.546 10.278 0.046 1.00 0.00 C ATOM 0 H THR A 39 10.962 11.046 -1.767 1.00 0.00 H new ATOM 0 HA THR A 39 8.268 11.053 -2.673 1.00 0.00 H new ATOM 0 HB THR A 39 9.677 10.304 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.861 8.206 -0.755 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.526 9.469 0.776 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.509 11.236 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.685 10.190 -0.616 1.00 0.00 H new ATOM 612 N LYS A 40 9.210 13.331 -0.495 1.00 0.00 N ATOM 613 CA LYS A 40 8.818 14.579 0.151 1.00 0.00 C ATOM 614 C LYS A 40 8.283 15.576 -0.872 1.00 0.00 C ATOM 615 O LYS A 40 7.395 16.372 -0.569 1.00 0.00 O ATOM 616 CB LYS A 40 10.010 15.186 0.897 1.00 0.00 C ATOM 617 CG LYS A 40 11.132 15.644 -0.019 1.00 0.00 C ATOM 618 CD LYS A 40 12.173 16.452 0.736 1.00 0.00 C ATOM 619 CE LYS A 40 11.717 17.888 0.948 1.00 0.00 C ATOM 620 NZ LYS A 40 10.833 18.019 2.139 1.00 0.00 N ATOM 0 H LYS A 40 10.189 13.077 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 40 8.025 14.357 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.665 16.035 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.402 14.449 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.606 14.776 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.719 16.246 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.368 15.985 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.112 16.445 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.588 18.531 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.186 18.235 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.112 18.857 2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.846 18.121 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.923 17.170 2.733 1.00 0.00 H new ATOM 634 N MET A 41 8.830 15.526 -2.082 1.00 0.00 N ATOM 635 CA MET A 41 8.405 16.424 -3.150 1.00 0.00 C ATOM 636 C MET A 41 7.080 15.964 -3.752 1.00 0.00 C ATOM 637 O MET A 41 6.267 16.780 -4.186 1.00 0.00 O ATOM 638 CB MET A 41 9.476 16.498 -4.240 1.00 0.00 C ATOM 639 CG MET A 41 10.717 17.270 -3.821 1.00 0.00 C ATOM 640 SD MET A 41 11.564 18.034 -5.217 1.00 0.00 S ATOM 641 CE MET A 41 11.756 16.626 -6.308 1.00 0.00 C ATOM 0 H MET A 41 9.568 14.874 -2.348 1.00 0.00 H new ATOM 0 HA MET A 41 8.264 17.416 -2.722 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.766 15.486 -4.523 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.049 16.966 -5.127 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.435 18.042 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.404 16.596 -3.309 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.683 16.726 -6.872 1.00 0.00 H new ATOM 0 HE2 MET A 41 11.787 15.710 -5.718 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.914 16.584 -6.999 1.00 0.00 H new ATOM 651 N LEU A 42 6.871 14.653 -3.776 1.00 0.00 N ATOM 652 CA LEU A 42 5.645 14.084 -4.325 1.00 0.00 C ATOM 653 C LEU A 42 4.487 14.233 -3.343 1.00 0.00 C ATOM 654 O LEU A 42 3.486 14.883 -3.643 1.00 0.00 O ATOM 655 CB LEU A 42 5.853 12.606 -4.665 1.00 0.00 C ATOM 656 CG LEU A 42 6.900 12.306 -5.739 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.218 10.819 -5.771 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.418 12.780 -7.102 1.00 0.00 C ATOM 0 H LEU A 42 7.534 13.964 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 42 5.397 14.629 -5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.136 12.080 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.899 12.191 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 42 7.813 12.848 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.965 10.623 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.607 10.509 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.311 10.258 -5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.176 12.558 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.491 12.267 -7.359 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.241 13.855 -7.072 1.00 0.00 H new ATOM 670 N GLY A 43 4.633 13.629 -2.169 1.00 0.00 N ATOM 671 CA GLY A 43 3.593 13.708 -1.160 1.00 0.00 C ATOM 672 C GLY A 43 2.947 15.078 -1.100 1.00 0.00 C ATOM 673 O GLY A 43 1.732 15.193 -0.942 1.00 0.00 O ATOM 0 H GLY A 43 5.453 13.086 -1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.830 12.959 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.017 13.467 -0.185 1.00 0.00 H new ATOM 677 N ALA A 44 3.763 16.121 -1.223 1.00 0.00 N ATOM 678 CA ALA A 44 3.264 17.490 -1.182 1.00 0.00 C ATOM 679 C ALA A 44 2.348 17.776 -2.368 1.00 0.00 C ATOM 680 O ALA A 44 1.337 18.465 -2.229 1.00 0.00 O ATOM 681 CB ALA A 44 4.424 18.474 -1.160 1.00 0.00 C ATOM 0 H ALA A 44 4.772 16.043 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 44 2.682 17.611 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.037 19.492 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.038 18.293 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.029 18.343 -2.057 1.00 0.00 H new ATOM 687 N GLU A 45 2.709 17.244 -3.531 1.00 0.00 N ATOM 688 CA GLU A 45 1.919 17.445 -4.740 1.00 0.00 C ATOM 689 C GLU A 45 0.535 16.818 -4.596 1.00 0.00 C ATOM 690 O GLU A 45 -0.474 17.426 -4.955 1.00 0.00 O ATOM 691 CB GLU A 45 2.638 16.846 -5.950 1.00 0.00 C ATOM 692 CG GLU A 45 4.027 17.419 -6.178 1.00 0.00 C ATOM 693 CD GLU A 45 4.000 18.727 -6.946 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.149 18.866 -7.850 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.829 19.609 -6.644 1.00 0.00 O ATOM 0 H GLU A 45 3.543 16.671 -3.662 1.00 0.00 H new ATOM 0 HA GLU A 45 1.799 18.518 -4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.717 15.767 -5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.034 17.015 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.513 17.577 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.630 16.694 -6.724 1.00 0.00 H new ATOM 702 N TRP A 46 0.496 15.599 -4.069 1.00 0.00 N ATOM 703 CA TRP A 46 -0.764 14.890 -3.879 1.00 0.00 C ATOM 704 C TRP A 46 -1.821 15.810 -3.277 1.00 0.00 C ATOM 705 O TRP A 46 -2.985 15.775 -3.675 1.00 0.00 O ATOM 706 CB TRP A 46 -0.556 13.674 -2.975 1.00 0.00 C ATOM 707 CG TRP A 46 -1.838 13.033 -2.535 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.380 13.062 -1.282 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.736 12.269 -3.346 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.562 12.361 -1.265 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.803 11.865 -2.519 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.745 11.888 -4.690 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.865 11.100 -2.994 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.799 11.127 -5.161 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.847 10.740 -4.315 1.00 0.00 C ATOM 0 H TRP A 46 1.321 15.082 -3.766 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.114 14.554 -4.855 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.048 12.936 -3.504 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.011 13.978 -2.095 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.944 13.562 -0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.162 12.231 -0.451 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.942 12.183 -5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.674 10.801 -2.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.815 10.826 -6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.657 10.146 -4.713 1.00 0.00 H new ATOM 726 N SER A 47 -1.409 16.631 -2.318 1.00 0.00 N ATOM 727 CA SER A 47 -2.321 17.558 -1.659 1.00 0.00 C ATOM 728 C SER A 47 -2.664 18.727 -2.578 1.00 0.00 C ATOM 729 O SER A 47 -3.744 19.311 -2.483 1.00 0.00 O ATOM 730 CB SER A 47 -1.704 18.079 -0.360 1.00 0.00 C ATOM 731 OG SER A 47 -2.507 19.098 0.213 1.00 0.00 O ATOM 0 H SER A 47 -0.448 16.673 -1.979 1.00 0.00 H new ATOM 0 HA SER A 47 -3.240 17.020 -1.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.592 17.258 0.348 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.705 18.467 -0.558 1.00 0.00 H new ATOM 0 HG SER A 47 -2.092 19.413 1.043 1.00 0.00 H new ATOM 737 N LYS A 48 -1.737 19.064 -3.467 1.00 0.00 N ATOM 738 CA LYS A 48 -1.938 20.162 -4.405 1.00 0.00 C ATOM 739 C LYS A 48 -2.601 19.668 -5.687 1.00 0.00 C ATOM 740 O LYS A 48 -2.586 20.355 -6.710 1.00 0.00 O ATOM 741 CB LYS A 48 -0.601 20.831 -4.735 1.00 0.00 C ATOM 742 CG LYS A 48 0.150 21.324 -3.509 1.00 0.00 C ATOM 743 CD LYS A 48 1.645 21.406 -3.768 1.00 0.00 C ATOM 744 CE LYS A 48 1.972 22.449 -4.825 1.00 0.00 C ATOM 745 NZ LYS A 48 1.639 23.827 -4.367 1.00 0.00 N ATOM 0 H LYS A 48 -0.837 18.592 -3.558 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.596 20.892 -3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.027 20.123 -5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.780 21.673 -5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.225 22.306 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.039 20.653 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.163 21.652 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.013 20.432 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.032 22.395 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.420 22.226 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.071 24.521 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.607 23.952 -4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.006 23.971 -3.405 1.00 0.00 H new ATOM 759 N LEU A 49 -3.181 18.475 -5.625 1.00 0.00 N ATOM 760 CA LEU A 49 -3.851 17.890 -6.781 1.00 0.00 C ATOM 761 C LEU A 49 -5.229 18.513 -6.987 1.00 0.00 C ATOM 762 O LEU A 49 -5.791 19.111 -6.070 1.00 0.00 O ATOM 763 CB LEU A 49 -3.985 16.376 -6.606 1.00 0.00 C ATOM 764 CG LEU A 49 -2.830 15.533 -7.147 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.086 14.055 -6.897 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.627 15.797 -8.632 1.00 0.00 C ATOM 0 H LEU A 49 -3.201 17.894 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.244 18.096 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.098 16.162 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.904 16.054 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.919 15.818 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.254 13.470 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.181 13.878 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.007 13.756 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.801 15.189 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.537 15.540 -9.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.398 16.851 -8.786 1.00 0.00 H new ATOM 778 N GLN A 50 -5.765 18.367 -8.193 1.00 0.00 N ATOM 779 CA GLN A 50 -7.077 18.915 -8.518 1.00 0.00 C ATOM 780 C GLN A 50 -8.189 18.027 -7.967 1.00 0.00 C ATOM 781 O GLN A 50 -7.990 16.845 -7.686 1.00 0.00 O ATOM 782 CB GLN A 50 -7.232 19.065 -10.032 1.00 0.00 C ATOM 783 CG GLN A 50 -6.683 20.375 -10.572 1.00 0.00 C ATOM 784 CD GLN A 50 -7.266 21.586 -9.869 1.00 0.00 C ATOM 785 OE1 GLN A 50 -8.328 22.084 -10.245 1.00 0.00 O ATOM 786 NE2 GLN A 50 -6.573 22.065 -8.843 1.00 0.00 N ATOM 0 H GLN A 50 -5.312 17.874 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.156 19.898 -8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.723 18.237 -10.525 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.288 18.989 -10.290 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.599 20.383 -10.462 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.896 20.442 -11.639 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.698 21.620 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.916 22.878 -8.331 1.00 0.00 H new ATOM 795 N PRO A 51 -9.387 18.608 -7.809 1.00 0.00 N ATOM 796 CA PRO A 51 -10.554 17.888 -7.290 1.00 0.00 C ATOM 797 C PRO A 51 -11.079 16.849 -8.276 1.00 0.00 C ATOM 798 O PRO A 51 -12.078 16.181 -8.014 1.00 0.00 O ATOM 799 CB PRO A 51 -11.589 18.995 -7.079 1.00 0.00 C ATOM 800 CG PRO A 51 -11.195 20.069 -8.033 1.00 0.00 C ATOM 801 CD PRO A 51 -9.696 20.013 -8.124 1.00 0.00 C ATOM 0 HA PRO A 51 -10.318 17.328 -6.385 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.598 18.637 -7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.579 19.356 -6.050 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.651 19.910 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.528 21.045 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.343 20.289 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.225 20.696 -7.417 1.00 0.00 H new ATOM 809 N ALA A 52 -10.398 16.720 -9.410 1.00 0.00 N ATOM 810 CA ALA A 52 -10.794 15.760 -10.434 1.00 0.00 C ATOM 811 C ALA A 52 -9.762 14.646 -10.572 1.00 0.00 C ATOM 812 O ALA A 52 -10.112 13.486 -10.784 1.00 0.00 O ATOM 813 CB ALA A 52 -10.995 16.464 -11.767 1.00 0.00 C ATOM 0 H ALA A 52 -9.570 17.268 -9.643 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.738 15.308 -10.128 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.290 15.736 -12.522 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.775 17.219 -11.666 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.064 16.943 -12.070 1.00 0.00 H new ATOM 819 N GLU A 53 -8.488 15.008 -10.449 1.00 0.00 N ATOM 820 CA GLU A 53 -7.405 14.037 -10.562 1.00 0.00 C ATOM 821 C GLU A 53 -7.288 13.203 -9.290 1.00 0.00 C ATOM 822 O GLU A 53 -7.330 11.973 -9.334 1.00 0.00 O ATOM 823 CB GLU A 53 -6.080 14.749 -10.842 1.00 0.00 C ATOM 824 CG GLU A 53 -6.126 15.667 -12.053 1.00 0.00 C ATOM 825 CD GLU A 53 -6.622 14.962 -13.301 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.190 13.817 -13.545 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.439 15.557 -14.033 1.00 0.00 O ATOM 0 H GLU A 53 -8.181 15.964 -10.271 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.634 13.370 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.798 15.332 -9.965 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.300 14.002 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.776 16.515 -11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.130 16.068 -12.238 1.00 0.00 H new ATOM 834 N LYS A 54 -7.139 13.881 -8.157 1.00 0.00 N ATOM 835 CA LYS A 54 -7.015 13.204 -6.871 1.00 0.00 C ATOM 836 C LYS A 54 -8.106 12.150 -6.704 1.00 0.00 C ATOM 837 O LYS A 54 -7.830 11.016 -6.312 1.00 0.00 O ATOM 838 CB LYS A 54 -7.093 14.218 -5.728 1.00 0.00 C ATOM 839 CG LYS A 54 -6.363 13.777 -4.472 1.00 0.00 C ATOM 840 CD LYS A 54 -7.007 14.350 -3.221 1.00 0.00 C ATOM 841 CE LYS A 54 -5.985 14.565 -2.116 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.381 15.925 -2.175 1.00 0.00 N ATOM 0 H LYS A 54 -7.101 14.899 -8.103 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.045 12.707 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.676 15.167 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.140 14.399 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.361 12.688 -4.415 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.322 14.096 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.490 15.297 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.787 13.674 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.463 14.422 -1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.199 13.815 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.164 16.250 -1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.505 15.892 -2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.052 16.584 -2.620 1.00 0.00 H new ATOM 856 N GLN A 55 -9.342 12.531 -7.005 1.00 0.00 N ATOM 857 CA GLN A 55 -10.473 11.618 -6.889 1.00 0.00 C ATOM 858 C GLN A 55 -10.305 10.422 -7.821 1.00 0.00 C ATOM 859 O GLN A 55 -10.454 9.273 -7.406 1.00 0.00 O ATOM 860 CB GLN A 55 -11.780 12.347 -7.205 1.00 0.00 C ATOM 861 CG GLN A 55 -13.019 11.487 -7.012 1.00 0.00 C ATOM 862 CD GLN A 55 -13.002 10.724 -5.702 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.149 9.502 -5.681 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.822 11.443 -4.601 1.00 0.00 N ATOM 0 H GLN A 55 -9.587 13.466 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.509 11.253 -5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.857 13.229 -6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.750 12.699 -8.236 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.905 12.120 -7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.099 10.781 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.704 12.454 -4.666 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.801 10.984 -3.690 1.00 0.00 H new ATOM 873 N ARG A 56 -9.996 10.702 -9.083 1.00 0.00 N ATOM 874 CA ARG A 56 -9.810 9.650 -10.075 1.00 0.00 C ATOM 875 C ARG A 56 -8.847 8.583 -9.563 1.00 0.00 C ATOM 876 O ARG A 56 -9.187 7.401 -9.506 1.00 0.00 O ATOM 877 CB ARG A 56 -9.284 10.241 -11.384 1.00 0.00 C ATOM 878 CG ARG A 56 -9.236 9.242 -12.528 1.00 0.00 C ATOM 879 CD ARG A 56 -8.483 9.801 -13.726 1.00 0.00 C ATOM 880 NE ARG A 56 -8.528 8.896 -14.871 1.00 0.00 N ATOM 881 CZ ARG A 56 -8.166 9.247 -16.100 1.00 0.00 C ATOM 882 NH1 ARG A 56 -7.736 10.478 -16.341 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.234 8.366 -17.090 1.00 0.00 N ATOM 0 H ARG A 56 -9.869 11.648 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.778 9.183 -10.258 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.915 11.081 -11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.283 10.638 -11.217 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.755 8.324 -12.191 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.251 8.979 -12.825 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.912 10.763 -14.007 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.445 9.984 -13.449 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.855 7.942 -14.719 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.683 11.157 -15.582 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.458 10.746 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.564 7.418 -16.908 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.956 8.636 -18.033 1.00 0.00 H new ATOM 897 N TYR A 57 -7.645 9.009 -9.191 1.00 0.00 N ATOM 898 CA TYR A 57 -6.632 8.091 -8.685 1.00 0.00 C ATOM 899 C TYR A 57 -7.234 7.115 -7.679 1.00 0.00 C ATOM 900 O TYR A 57 -7.158 5.898 -7.854 1.00 0.00 O ATOM 901 CB TYR A 57 -5.487 8.869 -8.035 1.00 0.00 C ATOM 902 CG TYR A 57 -4.500 9.439 -9.029 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.884 8.625 -9.971 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.187 10.793 -9.028 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.982 9.141 -10.882 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.287 11.318 -9.936 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.688 10.489 -10.859 1.00 0.00 C ATOM 908 OH TYR A 57 -1.791 11.007 -11.765 1.00 0.00 O ATOM 0 H TYR A 57 -7.349 9.984 -9.230 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.242 7.521 -9.528 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.903 9.683 -7.442 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.957 8.211 -7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.114 7.570 -9.992 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.655 11.446 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.511 8.494 -11.607 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.055 12.373 -9.922 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.696 11.971 -11.616 1.00 0.00 H new ATOM 918 N LEU A 58 -7.833 7.658 -6.624 1.00 0.00 N ATOM 919 CA LEU A 58 -8.449 6.837 -5.588 1.00 0.00 C ATOM 920 C LEU A 58 -9.345 5.766 -6.203 1.00 0.00 C ATOM 921 O LEU A 58 -9.375 4.626 -5.738 1.00 0.00 O ATOM 922 CB LEU A 58 -9.264 7.712 -4.633 1.00 0.00 C ATOM 923 CG LEU A 58 -8.521 8.892 -4.007 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.500 9.845 -3.337 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.485 8.399 -3.006 1.00 0.00 C ATOM 0 H LEU A 58 -7.905 8.663 -6.464 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.654 6.343 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.128 8.098 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.646 7.081 -3.830 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.004 9.433 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.953 10.679 -2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.204 10.224 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.045 9.316 -2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.965 9.252 -2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.981 7.834 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.765 7.757 -3.514 1.00 0.00 H new ATOM 937 N ASP A 59 -10.071 6.140 -7.251 1.00 0.00 N ATOM 938 CA ASP A 59 -10.965 5.211 -7.932 1.00 0.00 C ATOM 939 C ASP A 59 -10.183 4.287 -8.861 1.00 0.00 C ATOM 940 O ASP A 59 -10.619 3.175 -9.156 1.00 0.00 O ATOM 941 CB ASP A 59 -12.023 5.977 -8.727 1.00 0.00 C ATOM 942 CG ASP A 59 -13.169 5.090 -9.171 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.917 3.909 -9.490 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.319 5.577 -9.199 1.00 0.00 O ATOM 0 H ASP A 59 -10.058 7.080 -7.647 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.461 4.602 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.413 6.791 -8.116 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.558 6.430 -9.603 1.00 0.00 H new ATOM 949 N GLU A 60 -9.028 4.757 -9.321 1.00 0.00 N ATOM 950 CA GLU A 60 -8.187 3.974 -10.218 1.00 0.00 C ATOM 951 C GLU A 60 -7.489 2.846 -9.463 1.00 0.00 C ATOM 952 O GLU A 60 -7.038 1.870 -10.062 1.00 0.00 O ATOM 953 CB GLU A 60 -7.147 4.871 -10.891 1.00 0.00 C ATOM 954 CG GLU A 60 -7.750 5.900 -11.833 1.00 0.00 C ATOM 955 CD GLU A 60 -8.170 5.301 -13.161 1.00 0.00 C ATOM 956 OE1 GLU A 60 -9.315 4.813 -13.255 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.353 5.319 -14.106 1.00 0.00 O ATOM 0 H GLU A 60 -8.653 5.676 -9.087 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.827 3.535 -10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.572 5.387 -10.122 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.447 4.248 -11.447 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.616 6.360 -11.356 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.024 6.694 -12.010 1.00 0.00 H new ATOM 964 N ALA A 61 -7.403 2.988 -8.144 1.00 0.00 N ATOM 965 CA ALA A 61 -6.761 1.982 -7.307 1.00 0.00 C ATOM 966 C ALA A 61 -7.797 1.114 -6.601 1.00 0.00 C ATOM 967 O ALA A 61 -7.670 -0.109 -6.560 1.00 0.00 O ATOM 968 CB ALA A 61 -5.846 2.648 -6.290 1.00 0.00 C ATOM 0 H ALA A 61 -7.770 3.790 -7.632 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.162 1.337 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.373 1.885 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.078 3.220 -6.811 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.430 3.317 -5.658 1.00 0.00 H new ATOM 974 N GLU A 62 -8.821 1.756 -6.046 1.00 0.00 N ATOM 975 CA GLU A 62 -9.878 1.040 -5.341 1.00 0.00 C ATOM 976 C GLU A 62 -10.355 -0.162 -6.150 1.00 0.00 C ATOM 977 O GLU A 62 -10.759 -1.182 -5.589 1.00 0.00 O ATOM 978 CB GLU A 62 -11.055 1.976 -5.054 1.00 0.00 C ATOM 979 CG GLU A 62 -11.919 2.257 -6.273 1.00 0.00 C ATOM 980 CD GLU A 62 -12.954 1.175 -6.516 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.981 0.196 -5.741 1.00 0.00 O ATOM 982 OE2 GLU A 62 -13.735 1.307 -7.480 1.00 0.00 O ATOM 0 H GLU A 62 -8.941 2.769 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.470 0.681 -4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.675 1.537 -4.272 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.672 2.919 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.423 3.215 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.281 2.349 -7.152 1.00 0.00 H new ATOM 989 N LYS A 63 -10.306 -0.036 -7.472 1.00 0.00 N ATOM 990 CA LYS A 63 -10.732 -1.111 -8.360 1.00 0.00 C ATOM 991 C LYS A 63 -9.758 -2.283 -8.301 1.00 0.00 C ATOM 992 O LYS A 63 -10.170 -3.442 -8.276 1.00 0.00 O ATOM 993 CB LYS A 63 -10.843 -0.598 -9.798 1.00 0.00 C ATOM 994 CG LYS A 63 -12.059 0.281 -10.038 1.00 0.00 C ATOM 995 CD LYS A 63 -11.838 1.229 -11.204 1.00 0.00 C ATOM 996 CE LYS A 63 -12.054 0.532 -12.538 1.00 0.00 C ATOM 997 NZ LYS A 63 -13.476 0.601 -12.977 1.00 0.00 N ATOM 0 H LYS A 63 -9.975 0.801 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.711 -1.458 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.943 -0.034 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.881 -1.450 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.929 -0.345 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.278 0.855 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.520 2.076 -11.120 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.825 1.630 -11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.418 0.991 -13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.750 -0.511 -12.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.581 0.115 -13.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.081 0.141 -12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.760 1.596 -13.080 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.466 -1.972 -8.278 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.434 -3.001 -8.221 1.00 0.00 C ATOM 1013 C GLU A 64 -7.426 -3.690 -6.859 1.00 0.00 C ATOM 1014 O GLU A 64 -7.094 -4.870 -6.749 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.059 -2.393 -8.506 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.916 -1.844 -9.915 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.195 -2.888 -10.979 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.321 -3.751 -11.207 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -7.287 -2.842 -11.583 1.00 0.00 O ATOM 0 H GLU A 64 -8.109 -1.017 -8.298 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.658 -3.746 -8.984 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.871 -1.591 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.294 -3.152 -8.342 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.600 -1.006 -10.045 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.907 -1.455 -10.049 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.794 -2.943 -5.824 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.831 -3.478 -4.468 1.00 0.00 C ATOM 1028 C LYS A 65 -8.718 -4.717 -4.396 1.00 0.00 C ATOM 1029 O LYS A 65 -8.346 -5.723 -3.794 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.341 -2.416 -3.491 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.184 -2.806 -2.032 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.857 -1.803 -1.110 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.330 -2.126 -0.915 1.00 0.00 C ATOM 1034 NZ LYS A 65 -11.146 -1.742 -2.100 1.00 0.00 N ATOM 0 H LYS A 65 -8.071 -1.964 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.816 -3.762 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.805 -1.484 -3.669 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.394 -2.222 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.614 -3.795 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.125 -2.875 -1.785 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.353 -1.801 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.755 -0.800 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.445 -3.193 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.702 -1.604 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.097 -1.458 -1.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.691 -0.947 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.221 -2.553 -2.747 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.891 -4.636 -5.017 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.829 -5.752 -5.022 1.00 0.00 C ATOM 1050 C GLN A 66 -10.164 -7.021 -5.543 1.00 0.00 C ATOM 1051 O GLN A 66 -10.452 -8.121 -5.073 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.051 -5.413 -5.879 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.935 -4.333 -5.278 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.720 -4.822 -4.077 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -13.839 -6.026 -3.847 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -14.261 -3.889 -3.304 1.00 0.00 N ATOM 0 H GLN A 66 -10.214 -3.811 -5.522 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.150 -5.929 -3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.715 -5.089 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.644 -6.316 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.316 -3.486 -4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.628 -3.972 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -14.137 -2.903 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.801 -4.158 -2.482 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.273 -6.859 -6.517 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.567 -7.993 -7.103 1.00 0.00 C ATOM 1067 C GLN A 67 -7.574 -8.587 -6.110 1.00 0.00 C ATOM 1068 O GLN A 67 -7.116 -9.717 -6.276 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.838 -7.564 -8.377 1.00 0.00 C ATOM 1070 CG GLN A 67 -7.668 -8.686 -9.388 1.00 0.00 C ATOM 1071 CD GLN A 67 -8.841 -8.794 -10.343 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -9.486 -9.839 -10.437 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -9.123 -7.711 -11.057 1.00 0.00 N ATOM 0 H GLN A 67 -9.023 -5.954 -6.916 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.303 -8.757 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.389 -6.747 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.855 -7.175 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.754 -8.521 -9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.547 -9.631 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.561 -6.867 -10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.901 -7.723 -11.716 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.246 -7.819 -5.078 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.304 -8.268 -4.058 1.00 0.00 C ATOM 1084 C TYR A 68 -7.035 -8.931 -2.895 1.00 0.00 C ATOM 1085 O TYR A 68 -6.511 -9.843 -2.255 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.473 -7.090 -3.548 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.966 -7.275 -2.136 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.747 -6.919 -1.044 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.705 -7.806 -1.893 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -5.288 -7.084 0.249 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -3.238 -7.977 -0.605 1.00 0.00 C ATOM 1092 CZ TYR A 68 -4.032 -7.614 0.463 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.571 -7.782 1.749 1.00 0.00 O ATOM 0 H TYR A 68 -7.618 -6.882 -4.925 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.640 -9.003 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.623 -6.940 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.077 -6.184 -3.593 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.731 -6.506 -1.208 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.079 -8.090 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.908 -6.800 1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.256 -8.393 -0.435 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.670 -8.167 1.726 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.251 -8.466 -2.628 1.00 0.00 N ATOM 1104 CA LEU A 69 -9.057 -9.013 -1.541 1.00 0.00 C ATOM 1105 C LEU A 69 -9.314 -10.502 -1.751 1.00 0.00 C ATOM 1106 O LEU A 69 -8.984 -11.325 -0.899 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.386 -8.263 -1.440 1.00 0.00 C ATOM 1108 CG LEU A 69 -10.386 -7.013 -0.559 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -9.830 -7.331 0.820 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.583 -5.899 -1.216 1.00 0.00 C ATOM 0 H LEU A 69 -8.700 -7.712 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.504 -8.887 -0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.695 -7.975 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.141 -8.951 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.415 -6.673 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.838 -6.429 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.446 -8.096 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.807 -7.696 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.593 -5.017 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.555 -6.229 -1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.025 -5.652 -2.181 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.905 -10.839 -2.892 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.204 -12.229 -3.217 1.00 0.00 C ATOM 1124 C LYS A 70 -8.951 -13.093 -3.117 1.00 0.00 C ATOM 1125 O LYS A 70 -8.996 -14.209 -2.601 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.795 -12.329 -4.626 1.00 0.00 C ATOM 1127 CG LYS A 70 -9.960 -11.632 -5.686 1.00 0.00 C ATOM 1128 CD LYS A 70 -10.612 -11.722 -7.057 1.00 0.00 C ATOM 1129 CE LYS A 70 -11.684 -10.658 -7.234 1.00 0.00 C ATOM 1130 NZ LYS A 70 -12.039 -10.462 -8.667 1.00 0.00 N ATOM 0 H LYS A 70 -10.187 -10.169 -3.607 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.935 -12.596 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.901 -13.381 -4.893 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.796 -11.898 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.825 -10.585 -5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.968 -12.082 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.853 -11.607 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.053 -12.710 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.575 -10.944 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.333 -9.715 -6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.709 -9.672 -8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.179 -10.248 -9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.477 -11.329 -9.038 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.835 -12.569 -3.614 1.00 0.00 N ATOM 1145 CA GLU A 71 -6.571 -13.294 -3.579 1.00 0.00 C ATOM 1146 C GLU A 71 -6.154 -13.594 -2.142 1.00 0.00 C ATOM 1147 O GLU A 71 -5.220 -14.359 -1.901 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.476 -12.488 -4.281 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.726 -12.283 -5.765 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.144 -13.396 -6.614 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -5.351 -14.578 -6.267 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -4.482 -13.086 -7.627 1.00 0.00 O ATOM 0 H GLU A 71 -7.781 -11.646 -4.045 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.710 -14.239 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.388 -11.515 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.521 -12.997 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.799 -12.219 -5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.294 -11.331 -6.074 1.00 0.00 H new ATOM 1159 N LEU A 72 -6.855 -12.985 -1.191 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.559 -13.185 0.223 1.00 0.00 C ATOM 1161 C LEU A 72 -7.381 -14.337 0.794 1.00 0.00 C ATOM 1162 O LEU A 72 -6.842 -15.246 1.423 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.840 -11.904 1.010 1.00 0.00 C ATOM 1164 CG LEU A 72 -6.359 -11.888 2.461 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.919 -12.374 2.552 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -6.490 -10.492 3.051 1.00 0.00 C ATOM 0 H LEU A 72 -7.631 -12.349 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.502 -13.436 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.375 -11.070 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.915 -11.726 1.003 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.987 -12.566 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.594 -12.356 3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.854 -13.393 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.277 -11.722 1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.143 -10.500 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.887 -9.794 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.534 -10.181 3.021 1.00 0.00 H new