USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 407 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 15 THR OG1 : rot 170:sc= -0.0387 USER MOD Set 1.2: A 21 GLN : amide:sc= 0.0566 X(o=0.018,f=-0.1) USER MOD Single : A 9 SER OG : rot -26:sc= 0.0295 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -153:sc= -0.0485 (180deg=-0.4) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 160:sc= -1.54 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 142:sc= 0.457 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 50 LYS NZ :NH3+ -123:sc= -2.06! (180deg=-5.22!) USER MOD Single : A 52 ASN : amide:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 53 ASN : amide:sc=-0.00952 X(o=-0.0095,f=0) USER MOD Single : A 66 CYS SG : rot -74:sc= -5.85! USER MOD Single : A 67 THR OG1 : rot -91:sc= 0.0449 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.501 1.230 4.182 1.00 0.00 N ATOM 79 CA SER A 9 -11.579 0.227 3.679 1.00 0.00 C ATOM 80 C SER A 9 -12.351 -1.019 3.239 1.00 0.00 C ATOM 81 O SER A 9 -13.579 -1.048 3.303 1.00 0.00 O ATOM 82 CB SER A 9 -10.534 -0.141 4.734 1.00 0.00 C ATOM 83 OG SER A 9 -11.108 -0.266 6.032 1.00 0.00 O ATOM 0 HA SER A 9 -11.055 0.645 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.055 -1.080 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.755 0.621 4.754 1.00 0.00 H new ATOM 0 HG SER A 9 -11.920 0.280 6.084 1.00 0.00 H new ATOM 89 N LYS A 10 -11.599 -2.019 2.803 1.00 0.00 N ATOM 90 CA LYS A 10 -12.197 -3.264 2.353 1.00 0.00 C ATOM 91 C LYS A 10 -11.110 -4.336 2.244 1.00 0.00 C ATOM 92 O LYS A 10 -9.928 -4.017 2.129 1.00 0.00 O ATOM 93 CB LYS A 10 -12.978 -3.046 1.056 1.00 0.00 C ATOM 94 CG LYS A 10 -12.052 -2.579 -0.070 1.00 0.00 C ATOM 95 CD LYS A 10 -12.224 -3.448 -1.317 1.00 0.00 C ATOM 96 CE LYS A 10 -12.236 -2.591 -2.585 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.585 -2.028 -2.817 1.00 0.00 N ATOM 0 H LYS A 10 -10.581 -1.992 2.752 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.926 -3.621 3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.472 -3.973 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.761 -2.305 1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.267 -1.539 -0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.016 -2.620 0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.414 -4.175 -1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.154 -4.012 -1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.510 -1.784 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.935 -3.194 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.576 -1.449 -3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -14.270 -2.803 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.858 -1.436 -2.007 1.00 0.00 H new ATOM 111 N PRO A 11 -11.562 -5.618 2.284 1.00 0.00 N ATOM 112 CA PRO A 11 -10.642 -6.739 2.190 1.00 0.00 C ATOM 113 C PRO A 11 -10.145 -6.922 0.755 1.00 0.00 C ATOM 114 O PRO A 11 -10.909 -7.315 -0.125 1.00 0.00 O ATOM 115 CB PRO A 11 -11.426 -7.935 2.705 1.00 0.00 C ATOM 116 CG PRO A 11 -12.891 -7.537 2.629 1.00 0.00 C ATOM 117 CD PRO A 11 -12.955 -6.033 2.418 1.00 0.00 C ATOM 0 HA PRO A 11 -9.736 -6.590 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.230 -8.820 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.140 -8.178 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.386 -8.059 1.810 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.411 -7.816 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.530 -5.782 1.527 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.437 -5.535 3.259 1.00 0.00 H new ATOM 125 N ILE A 12 -8.867 -6.629 0.563 1.00 0.00 N ATOM 126 CA ILE A 12 -8.259 -6.757 -0.750 1.00 0.00 C ATOM 127 C ILE A 12 -7.338 -7.978 -0.765 1.00 0.00 C ATOM 128 O ILE A 12 -7.081 -8.579 0.278 1.00 0.00 O ATOM 129 CB ILE A 12 -7.560 -5.455 -1.146 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.402 -5.143 -0.195 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.559 -4.299 -1.230 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.522 -4.022 -0.751 1.00 0.00 C ATOM 0 H ILE A 12 -8.236 -6.303 1.295 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.024 -6.925 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.134 -5.586 -2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.795 -4.852 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.801 -6.039 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.036 -3.386 -1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.319 -4.528 -1.977 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.035 -4.158 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.707 -3.820 -0.056 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.111 -4.326 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.120 -3.120 -0.880 1.00 0.00 H new ATOM 144 N LYS A 13 -6.865 -8.309 -1.957 1.00 0.00 N ATOM 145 CA LYS A 13 -5.978 -9.448 -2.121 1.00 0.00 C ATOM 146 C LYS A 13 -4.724 -9.008 -2.880 1.00 0.00 C ATOM 147 O LYS A 13 -4.817 -8.295 -3.878 1.00 0.00 O ATOM 148 CB LYS A 13 -6.718 -10.614 -2.780 1.00 0.00 C ATOM 149 CG LYS A 13 -5.735 -11.672 -3.285 1.00 0.00 C ATOM 150 CD LYS A 13 -6.087 -13.055 -2.731 1.00 0.00 C ATOM 151 CE LYS A 13 -7.460 -13.511 -3.228 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.426 -13.560 -2.107 1.00 0.00 N ATOM 0 H LYS A 13 -7.079 -7.808 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.650 -9.817 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.406 -11.064 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.319 -10.245 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.751 -11.698 -4.375 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.721 -11.404 -2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.328 -13.776 -3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.082 -13.026 -1.641 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.820 -12.828 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.378 -14.495 -3.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.164 -14.262 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.930 -13.828 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.863 -12.624 -1.984 1.00 0.00 H new ATOM 166 N VAL A 14 -3.581 -9.450 -2.377 1.00 0.00 N ATOM 167 CA VAL A 14 -2.311 -9.111 -2.995 1.00 0.00 C ATOM 168 C VAL A 14 -1.502 -10.389 -3.224 1.00 0.00 C ATOM 169 O VAL A 14 -1.176 -11.100 -2.275 1.00 0.00 O ATOM 170 CB VAL A 14 -1.571 -8.081 -2.139 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.179 -7.795 -2.706 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.385 -6.792 -2.006 1.00 0.00 C ATOM 0 H VAL A 14 -3.508 -10.040 -1.548 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.472 -8.649 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.446 -8.502 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.325 -7.060 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.403 -8.717 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.272 -7.405 -3.719 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.836 -6.077 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.556 -6.366 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.343 -7.014 -1.536 1.00 0.00 H new ATOM 182 N THR A 15 -1.202 -10.643 -4.490 1.00 0.00 N ATOM 183 CA THR A 15 -0.438 -11.823 -4.856 1.00 0.00 C ATOM 184 C THR A 15 1.062 -11.522 -4.814 1.00 0.00 C ATOM 185 O THR A 15 1.528 -10.586 -5.462 1.00 0.00 O ATOM 186 CB THR A 15 -0.925 -12.295 -6.227 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.211 -12.850 -5.966 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.112 -13.476 -6.763 1.00 0.00 C ATOM 0 H THR A 15 -1.475 -10.051 -5.275 1.00 0.00 H new ATOM 0 HA THR A 15 -0.595 -12.632 -4.143 1.00 0.00 H new ATOM 0 HB THR A 15 -0.873 -11.468 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.667 -13.033 -6.814 1.00 0.00 H new ATOM 0 HG21 THR A 15 -0.499 -13.771 -7.738 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.933 -13.183 -6.861 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.191 -14.315 -6.072 1.00 0.00 H new ATOM 196 N LEU A 16 1.775 -12.332 -4.046 1.00 0.00 N ATOM 197 CA LEU A 16 3.212 -12.164 -3.912 1.00 0.00 C ATOM 198 C LEU A 16 3.877 -12.398 -5.269 1.00 0.00 C ATOM 199 O LEU A 16 3.282 -13.001 -6.161 1.00 0.00 O ATOM 200 CB LEU A 16 3.754 -13.061 -2.798 1.00 0.00 C ATOM 201 CG LEU A 16 3.140 -12.856 -1.412 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.225 -14.137 -0.580 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.782 -11.665 -0.698 1.00 0.00 C ATOM 0 H LEU A 16 1.384 -13.107 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 16 3.450 -11.144 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.603 -14.100 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.830 -12.904 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 16 2.083 -12.623 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.782 -13.964 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.685 -14.937 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.270 -14.424 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.327 -11.542 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.851 -11.843 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.626 -10.761 -1.286 1.00 0.00 H new ATOM 215 N PRO A 17 5.135 -11.894 -5.387 1.00 0.00 N ATOM 216 CA PRO A 17 5.888 -12.042 -6.621 1.00 0.00 C ATOM 217 C PRO A 17 6.409 -13.472 -6.777 1.00 0.00 C ATOM 218 O PRO A 17 7.114 -13.778 -7.737 1.00 0.00 O ATOM 219 CB PRO A 17 7.002 -11.012 -6.528 1.00 0.00 C ATOM 220 CG PRO A 17 7.112 -10.648 -5.057 1.00 0.00 C ATOM 221 CD PRO A 17 5.871 -11.173 -4.353 1.00 0.00 C ATOM 0 HA PRO A 17 5.278 -11.872 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.942 -11.419 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.773 -10.134 -7.132 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.011 -11.084 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.191 -9.568 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.134 -11.830 -3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.277 -10.359 -3.939 1.00 0.00 H new ATOM 229 N ASP A 18 6.040 -14.310 -5.819 1.00 0.00 N ATOM 230 CA ASP A 18 6.461 -15.701 -5.839 1.00 0.00 C ATOM 231 C ASP A 18 5.310 -16.571 -6.347 1.00 0.00 C ATOM 232 O ASP A 18 5.516 -17.725 -6.719 1.00 0.00 O ATOM 233 CB ASP A 18 6.834 -16.183 -4.435 1.00 0.00 C ATOM 234 CG ASP A 18 8.336 -16.236 -4.148 1.00 0.00 C ATOM 235 OD1 ASP A 18 9.089 -15.650 -4.955 1.00 0.00 O ATOM 236 OD2 ASP A 18 8.696 -16.860 -3.127 1.00 0.00 O ATOM 0 H ASP A 18 5.454 -14.053 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 18 7.331 -15.781 -6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.363 -15.526 -3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.415 -17.178 -4.286 1.00 0.00 H new ATOM 241 N GLY A 19 4.122 -15.983 -6.347 1.00 0.00 N ATOM 242 CA GLY A 19 2.938 -16.690 -6.804 1.00 0.00 C ATOM 243 C GLY A 19 1.915 -16.832 -5.675 1.00 0.00 C ATOM 244 O GLY A 19 0.710 -16.850 -5.923 1.00 0.00 O ATOM 0 H GLY A 19 3.955 -15.025 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.490 -16.154 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 19 3.219 -17.677 -7.172 1.00 0.00 H new ATOM 248 N LYS A 20 2.432 -16.931 -4.459 1.00 0.00 N ATOM 249 CA LYS A 20 1.579 -17.071 -3.291 1.00 0.00 C ATOM 250 C LYS A 20 0.670 -15.845 -3.180 1.00 0.00 C ATOM 251 O LYS A 20 1.006 -14.771 -3.676 1.00 0.00 O ATOM 252 CB LYS A 20 2.421 -17.327 -2.040 1.00 0.00 C ATOM 253 CG LYS A 20 1.658 -16.932 -0.775 1.00 0.00 C ATOM 254 CD LYS A 20 2.534 -17.095 0.468 1.00 0.00 C ATOM 255 CE LYS A 20 1.681 -17.157 1.737 1.00 0.00 C ATOM 256 NZ LYS A 20 2.458 -16.690 2.907 1.00 0.00 N ATOM 0 H LYS A 20 3.432 -16.917 -4.257 1.00 0.00 H new ATOM 0 HA LYS A 20 0.931 -17.941 -3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.693 -18.381 -1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.350 -16.760 -2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.324 -15.898 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.764 -17.549 -0.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.129 -18.004 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.233 -16.262 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.791 -16.540 1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.340 -18.179 1.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.865 -16.738 3.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.294 -17.295 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.762 -15.708 2.752 1.00 0.00 H new ATOM 270 N GLN A 21 -0.464 -16.047 -2.525 1.00 0.00 N ATOM 271 CA GLN A 21 -1.425 -14.972 -2.342 1.00 0.00 C ATOM 272 C GLN A 21 -1.447 -14.524 -0.880 1.00 0.00 C ATOM 273 O GLN A 21 -1.147 -15.308 0.019 1.00 0.00 O ATOM 274 CB GLN A 21 -2.819 -15.398 -2.806 1.00 0.00 C ATOM 275 CG GLN A 21 -2.805 -15.809 -4.280 1.00 0.00 C ATOM 276 CD GLN A 21 -4.228 -15.980 -4.815 1.00 0.00 C ATOM 277 OE1 GLN A 21 -4.944 -16.904 -4.465 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.597 -15.040 -5.681 1.00 0.00 N ATOM 0 H GLN A 21 -0.739 -16.939 -2.114 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.116 -14.126 -2.956 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.171 -16.230 -2.196 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.521 -14.577 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.280 -15.055 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.255 -16.743 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.948 -14.294 -5.931 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.529 -15.066 -6.095 1.00 0.00 H new ATOM 287 N VAL A 22 -1.804 -13.263 -0.686 1.00 0.00 N ATOM 288 CA VAL A 22 -1.869 -12.700 0.652 1.00 0.00 C ATOM 289 C VAL A 22 -3.198 -11.962 0.826 1.00 0.00 C ATOM 290 O VAL A 22 -3.895 -11.692 -0.151 1.00 0.00 O ATOM 291 CB VAL A 22 -0.652 -11.808 0.904 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.731 -11.151 2.284 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.649 -12.598 0.746 1.00 0.00 C ATOM 0 H VAL A 22 -2.051 -12.615 -1.434 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.836 -13.491 1.401 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.656 -11.016 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.146 -10.522 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.631 -10.539 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.764 -11.923 3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.499 -11.941 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.665 -13.420 1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.712 -12.997 -0.267 1.00 0.00 H new ATOM 303 N ASP A 23 -3.509 -11.656 2.077 1.00 0.00 N ATOM 304 CA ASP A 23 -4.742 -10.954 2.392 1.00 0.00 C ATOM 305 C ASP A 23 -4.407 -9.574 2.960 1.00 0.00 C ATOM 306 O ASP A 23 -3.639 -9.461 3.915 1.00 0.00 O ATOM 307 CB ASP A 23 -5.555 -11.713 3.442 1.00 0.00 C ATOM 308 CG ASP A 23 -6.393 -12.871 2.898 1.00 0.00 C ATOM 309 OD1 ASP A 23 -7.044 -12.659 1.852 1.00 0.00 O ATOM 310 OD2 ASP A 23 -6.365 -13.943 3.540 1.00 0.00 O ATOM 0 H ASP A 23 -2.928 -11.881 2.885 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.326 -10.870 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.872 -12.102 4.197 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.218 -11.009 3.945 1.00 0.00 H new ATOM 315 N ALA A 24 -4.999 -8.558 2.350 1.00 0.00 N ATOM 316 CA ALA A 24 -4.773 -7.189 2.783 1.00 0.00 C ATOM 317 C ALA A 24 -6.087 -6.411 2.705 1.00 0.00 C ATOM 318 O ALA A 24 -7.111 -6.953 2.291 1.00 0.00 O ATOM 319 CB ALA A 24 -3.670 -6.559 1.930 1.00 0.00 C ATOM 0 H ALA A 24 -5.635 -8.655 1.559 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.437 -7.165 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.501 -5.532 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.750 -7.132 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.973 -6.563 0.883 1.00 0.00 H new ATOM 325 N GLU A 25 -6.017 -5.151 3.111 1.00 0.00 N ATOM 326 CA GLU A 25 -7.189 -4.293 3.093 1.00 0.00 C ATOM 327 C GLU A 25 -6.834 -2.923 2.510 1.00 0.00 C ATOM 328 O GLU A 25 -5.752 -2.397 2.766 1.00 0.00 O ATOM 329 CB GLU A 25 -7.789 -4.154 4.493 1.00 0.00 C ATOM 330 CG GLU A 25 -8.531 -5.429 4.900 1.00 0.00 C ATOM 331 CD GLU A 25 -10.028 -5.162 5.071 1.00 0.00 C ATOM 332 OE1 GLU A 25 -10.359 -4.029 5.481 1.00 0.00 O ATOM 333 OE2 GLU A 25 -10.807 -6.097 4.787 1.00 0.00 O ATOM 0 H GLU A 25 -5.167 -4.704 3.454 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.943 -4.754 2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.998 -3.944 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.474 -3.307 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.380 -6.199 4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.118 -5.812 5.833 1.00 0.00 H new ATOM 340 N SER A 26 -7.767 -2.384 1.738 1.00 0.00 N ATOM 341 CA SER A 26 -7.566 -1.086 1.117 1.00 0.00 C ATOM 342 C SER A 26 -7.397 -0.012 2.194 1.00 0.00 C ATOM 343 O SER A 26 -8.199 0.074 3.122 1.00 0.00 O ATOM 344 CB SER A 26 -8.732 -0.731 0.192 1.00 0.00 C ATOM 345 OG SER A 26 -9.984 -0.773 0.872 1.00 0.00 O ATOM 0 H SER A 26 -8.664 -2.823 1.529 1.00 0.00 H new ATOM 0 HA SER A 26 -6.660 -1.132 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.577 0.266 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.752 -1.425 -0.649 1.00 0.00 H new ATOM 0 HG SER A 26 -10.645 -0.249 0.373 1.00 0.00 H new ATOM 351 N TRP A 27 -6.348 0.781 2.034 1.00 0.00 N ATOM 352 CA TRP A 27 -6.063 1.846 2.980 1.00 0.00 C ATOM 353 C TRP A 27 -5.903 1.217 4.365 1.00 0.00 C ATOM 354 O TRP A 27 -6.386 1.761 5.358 1.00 0.00 O ATOM 355 CB TRP A 27 -7.148 2.924 2.935 1.00 0.00 C ATOM 356 CG TRP A 27 -7.602 3.292 1.521 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.688 2.861 0.865 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.933 4.189 0.609 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.768 3.412 -0.398 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.667 4.245 -0.558 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.748 4.928 0.765 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.298 5.028 -1.659 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.392 5.704 -0.344 1.00 0.00 C ATOM 364 CH2 TRP A 27 -6.120 5.772 -1.526 1.00 0.00 C ATOM 0 H TRP A 27 -5.685 0.707 1.263 1.00 0.00 H new ATOM 0 HA TRP A 27 -5.135 2.356 2.719 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.011 2.580 3.505 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.776 3.820 3.431 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.410 2.169 1.273 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.500 3.240 -1.087 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -5.158 4.899 1.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.890 5.056 -2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.488 6.291 -0.277 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.778 6.396 -2.338 1.00 0.00 H new ATOM 375 N LYS A 28 -5.223 0.080 4.389 1.00 0.00 N ATOM 376 CA LYS A 28 -4.993 -0.628 5.636 1.00 0.00 C ATOM 377 C LYS A 28 -3.588 -1.234 5.622 1.00 0.00 C ATOM 378 O LYS A 28 -2.702 -0.772 6.339 1.00 0.00 O ATOM 379 CB LYS A 28 -6.102 -1.653 5.883 1.00 0.00 C ATOM 380 CG LYS A 28 -7.207 -1.065 6.762 1.00 0.00 C ATOM 381 CD LYS A 28 -7.972 -2.169 7.494 1.00 0.00 C ATOM 382 CE LYS A 28 -9.033 -1.578 8.424 1.00 0.00 C ATOM 383 NZ LYS A 28 -9.825 -2.655 9.058 1.00 0.00 N ATOM 0 H LYS A 28 -4.824 -0.368 3.564 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.035 0.062 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.523 -1.975 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.684 -2.538 6.362 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.772 -0.377 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.896 -0.486 6.147 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.447 -2.830 6.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.276 -2.777 8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.554 -0.971 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.692 -0.918 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.540 -2.236 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.297 -3.218 8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.195 -3.269 9.612 1.00 0.00 H new ATOM 397 N THR A 29 -3.428 -2.259 4.798 1.00 0.00 N ATOM 398 CA THR A 29 -2.146 -2.933 4.681 1.00 0.00 C ATOM 399 C THR A 29 -1.373 -2.401 3.473 1.00 0.00 C ATOM 400 O THR A 29 -1.971 -1.939 2.502 1.00 0.00 O ATOM 401 CB THR A 29 -2.407 -4.439 4.620 1.00 0.00 C ATOM 402 OG1 THR A 29 -2.966 -4.746 5.894 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.115 -5.256 4.573 1.00 0.00 C ATOM 0 H THR A 29 -4.165 -2.639 4.205 1.00 0.00 H new ATOM 0 HA THR A 29 -1.514 -2.733 5.546 1.00 0.00 H new ATOM 0 HB THR A 29 -3.012 -4.667 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.167 -5.704 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.357 -6.318 4.531 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.541 -4.979 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.524 -5.054 5.466 1.00 0.00 H new ATOM 411 N THR A 30 -0.054 -2.483 3.572 1.00 0.00 N ATOM 412 CA THR A 30 0.808 -2.016 2.500 1.00 0.00 C ATOM 413 C THR A 30 1.696 -3.154 1.995 1.00 0.00 C ATOM 414 O THR A 30 1.614 -4.277 2.490 1.00 0.00 O ATOM 415 CB THR A 30 1.598 -0.813 3.019 1.00 0.00 C ATOM 416 OG1 THR A 30 2.833 -1.372 3.458 1.00 0.00 O ATOM 417 CG2 THR A 30 0.988 -0.214 4.288 1.00 0.00 C ATOM 0 H THR A 30 0.439 -2.866 4.379 1.00 0.00 H new ATOM 0 HA THR A 30 0.226 -1.693 1.637 1.00 0.00 H new ATOM 0 HB THR A 30 1.645 -0.048 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.565 -0.757 3.242 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.587 0.636 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.030 0.117 4.081 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.971 -0.968 5.075 1.00 0.00 H new ATOM 425 N PRO A 31 2.547 -2.817 0.989 1.00 0.00 N ATOM 426 CA PRO A 31 3.450 -3.798 0.411 1.00 0.00 C ATOM 427 C PRO A 31 4.621 -4.086 1.352 1.00 0.00 C ATOM 428 O PRO A 31 5.177 -5.183 1.339 1.00 0.00 O ATOM 429 CB PRO A 31 3.887 -3.197 -0.915 1.00 0.00 C ATOM 430 CG PRO A 31 3.584 -1.711 -0.820 1.00 0.00 C ATOM 431 CD PRO A 31 2.672 -1.497 0.377 1.00 0.00 C ATOM 0 HA PRO A 31 2.976 -4.767 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.949 -3.368 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.349 -3.653 -1.746 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.505 -1.140 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.104 -1.360 -1.733 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.097 -0.776 1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.701 -1.109 0.070 1.00 0.00 H new ATOM 439 N TYR A 32 4.962 -3.081 2.146 1.00 0.00 N ATOM 440 CA TYR A 32 6.057 -3.213 3.091 1.00 0.00 C ATOM 441 C TYR A 32 5.717 -4.225 4.187 1.00 0.00 C ATOM 442 O TYR A 32 6.494 -5.139 4.456 1.00 0.00 O ATOM 443 CB TYR A 32 6.235 -1.832 3.726 1.00 0.00 C ATOM 444 CG TYR A 32 7.645 -1.569 4.258 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.742 -1.806 3.455 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.820 -1.095 5.543 1.00 0.00 C ATOM 447 CE1 TYR A 32 10.069 -1.559 3.957 1.00 0.00 C ATOM 448 CE2 TYR A 32 9.147 -0.847 6.044 1.00 0.00 C ATOM 449 CZ TYR A 32 10.206 -1.092 5.226 1.00 0.00 C ATOM 450 OH TYR A 32 11.459 -0.858 5.700 1.00 0.00 O ATOM 0 H TYR A 32 4.499 -2.172 2.154 1.00 0.00 H new ATOM 0 HA TYR A 32 6.959 -3.561 2.587 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.988 -1.069 2.987 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.523 -1.725 4.544 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.605 -2.177 2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.962 -0.910 6.172 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.936 -1.741 3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.298 -0.475 7.047 1.00 0.00 H new ATOM 0 HH TYR A 32 11.404 -0.526 6.620 1.00 0.00 H new ATOM 460 N GLN A 33 4.554 -4.026 4.791 1.00 0.00 N ATOM 461 CA GLN A 33 4.101 -4.910 5.852 1.00 0.00 C ATOM 462 C GLN A 33 3.799 -6.301 5.291 1.00 0.00 C ATOM 463 O GLN A 33 3.953 -7.302 5.989 1.00 0.00 O ATOM 464 CB GLN A 33 2.878 -4.329 6.564 1.00 0.00 C ATOM 465 CG GLN A 33 3.290 -3.247 7.565 1.00 0.00 C ATOM 466 CD GLN A 33 2.071 -2.461 8.054 1.00 0.00 C ATOM 467 OE1 GLN A 33 0.990 -2.994 8.240 1.00 0.00 O ATOM 468 NE2 GLN A 33 2.307 -1.167 8.253 1.00 0.00 N ATOM 0 H GLN A 33 3.912 -3.266 4.566 1.00 0.00 H new ATOM 0 HA GLN A 33 4.900 -5.002 6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.191 -3.908 5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.342 -5.124 7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.796 -3.706 8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.003 -2.567 7.098 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.236 -0.785 8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.559 -0.557 8.581 1.00 0.00 H new ATOM 477 N ILE A 34 3.374 -6.319 4.036 1.00 0.00 N ATOM 478 CA ILE A 34 3.049 -7.571 3.374 1.00 0.00 C ATOM 479 C ILE A 34 4.266 -8.497 3.417 1.00 0.00 C ATOM 480 O ILE A 34 4.134 -9.690 3.688 1.00 0.00 O ATOM 481 CB ILE A 34 2.525 -7.309 1.960 1.00 0.00 C ATOM 482 CG1 ILE A 34 1.019 -7.039 1.975 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.893 -8.457 1.018 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.589 -6.267 0.726 1.00 0.00 C ATOM 0 H ILE A 34 3.247 -5.487 3.460 1.00 0.00 H new ATOM 0 HA ILE A 34 2.241 -8.081 3.899 1.00 0.00 H new ATOM 0 HB ILE A 34 3.009 -6.411 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.477 -7.983 2.028 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.757 -6.470 2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.509 -8.246 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.977 -8.559 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.455 -9.385 1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.486 -6.088 0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.115 -5.313 0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.831 -6.849 -0.163 1.00 0.00 H new ATOM 663 N ILE A 48 11.646 -1.237 -4.099 1.00 0.00 N ATOM 664 CA ILE A 48 10.407 -0.611 -4.527 1.00 0.00 C ATOM 665 C ILE A 48 9.354 -1.693 -4.775 1.00 0.00 C ATOM 666 O ILE A 48 9.625 -2.686 -5.448 1.00 0.00 O ATOM 667 CB ILE A 48 10.654 0.295 -5.735 1.00 0.00 C ATOM 668 CG1 ILE A 48 11.361 1.586 -5.316 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.351 0.574 -6.486 1.00 0.00 C ATOM 670 CD1 ILE A 48 10.542 2.347 -4.272 1.00 0.00 C ATOM 0 HA ILE A 48 10.018 0.040 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 48 11.318 -0.227 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 48 12.345 1.351 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.520 2.218 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.554 1.220 -7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.924 -0.366 -6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.645 1.067 -5.818 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.068 3.260 -3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.568 2.602 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.406 1.722 -3.390 1.00 0.00 H new ATOM 682 N ALA A 49 8.173 -1.463 -4.219 1.00 0.00 N ATOM 683 CA ALA A 49 7.078 -2.405 -4.372 1.00 0.00 C ATOM 684 C ALA A 49 6.180 -1.954 -5.525 1.00 0.00 C ATOM 685 O ALA A 49 5.792 -0.789 -5.596 1.00 0.00 O ATOM 686 CB ALA A 49 6.315 -2.520 -3.050 1.00 0.00 C ATOM 0 H ALA A 49 7.951 -0.638 -3.662 1.00 0.00 H new ATOM 0 HA ALA A 49 7.457 -3.397 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.493 -3.227 -3.165 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.990 -2.872 -2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.918 -1.543 -2.773 1.00 0.00 H new ATOM 692 N LYS A 50 5.875 -2.901 -6.401 1.00 0.00 N ATOM 693 CA LYS A 50 5.030 -2.615 -7.548 1.00 0.00 C ATOM 694 C LYS A 50 3.600 -3.071 -7.248 1.00 0.00 C ATOM 695 O LYS A 50 3.380 -4.213 -6.846 1.00 0.00 O ATOM 696 CB LYS A 50 5.620 -3.236 -8.816 1.00 0.00 C ATOM 697 CG LYS A 50 6.686 -2.324 -9.427 1.00 0.00 C ATOM 698 CD LYS A 50 7.143 -2.851 -10.789 1.00 0.00 C ATOM 699 CE LYS A 50 7.809 -1.745 -11.609 1.00 0.00 C ATOM 700 NZ LYS A 50 9.241 -2.050 -11.825 1.00 0.00 N ATOM 0 H LYS A 50 6.198 -3.867 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 50 4.991 -1.542 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.058 -4.206 -8.581 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.827 -3.412 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.287 -1.316 -9.538 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.541 -2.256 -8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.842 -3.675 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.287 -3.248 -11.335 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.304 -1.642 -12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.708 -0.790 -11.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.821 -1.268 -11.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.488 -2.928 -11.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.421 -2.168 -12.842 1.00 0.00 H new ATOM 714 N VAL A 51 2.665 -2.156 -7.457 1.00 0.00 N ATOM 715 CA VAL A 51 1.263 -2.449 -7.214 1.00 0.00 C ATOM 716 C VAL A 51 0.498 -2.394 -8.538 1.00 0.00 C ATOM 717 O VAL A 51 0.156 -1.314 -9.017 1.00 0.00 O ATOM 718 CB VAL A 51 0.703 -1.492 -6.160 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.823 -1.582 -6.094 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.328 -1.759 -4.789 1.00 0.00 C ATOM 0 H VAL A 51 2.851 -1.211 -7.792 1.00 0.00 H new ATOM 0 HA VAL A 51 1.147 -3.456 -6.813 1.00 0.00 H new ATOM 0 HB VAL A 51 0.966 -0.477 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.196 -0.892 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.245 -1.319 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.117 -2.599 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.912 -1.065 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.110 -2.782 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.408 -1.620 -4.848 1.00 0.00 H new ATOM 730 N ASN A 52 0.253 -3.573 -9.092 1.00 0.00 N ATOM 731 CA ASN A 52 -0.465 -3.672 -10.352 1.00 0.00 C ATOM 732 C ASN A 52 0.484 -3.334 -11.503 1.00 0.00 C ATOM 733 O ASN A 52 0.068 -2.756 -12.506 1.00 0.00 O ATOM 734 CB ASN A 52 -1.635 -2.687 -10.398 1.00 0.00 C ATOM 735 CG ASN A 52 -2.912 -3.376 -10.883 1.00 0.00 C ATOM 736 OD1 ASN A 52 -2.949 -4.013 -11.922 1.00 0.00 O ATOM 737 ND2 ASN A 52 -3.955 -3.213 -10.073 1.00 0.00 N ATOM 0 H ASN A 52 0.539 -4.467 -8.692 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.846 -4.689 -10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.799 -2.265 -9.406 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.391 -1.857 -11.061 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.854 -3.634 -10.308 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.856 -2.667 -9.217 1.00 0.00 H new ATOM 744 N ASN A 53 1.742 -3.709 -11.320 1.00 0.00 N ATOM 745 CA ASN A 53 2.753 -3.452 -12.331 1.00 0.00 C ATOM 746 C ASN A 53 3.083 -1.958 -12.350 1.00 0.00 C ATOM 747 O ASN A 53 3.586 -1.442 -13.346 1.00 0.00 O ATOM 748 CB ASN A 53 2.253 -3.843 -13.723 1.00 0.00 C ATOM 749 CG ASN A 53 3.153 -4.909 -14.351 1.00 0.00 C ATOM 750 OD1 ASN A 53 3.243 -6.034 -13.887 1.00 0.00 O ATOM 751 ND2 ASN A 53 3.814 -4.493 -15.427 1.00 0.00 N ATOM 0 H ASN A 53 2.084 -4.188 -10.487 1.00 0.00 H new ATOM 0 HA ASN A 53 3.633 -4.045 -12.084 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.232 -4.219 -13.654 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.226 -2.962 -14.364 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.443 -5.129 -15.917 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.692 -3.537 -15.762 1.00 0.00 H new ATOM 758 N VAL A 54 2.785 -1.306 -11.235 1.00 0.00 N ATOM 759 CA VAL A 54 3.043 0.119 -11.111 1.00 0.00 C ATOM 760 C VAL A 54 3.773 0.387 -9.793 1.00 0.00 C ATOM 761 O VAL A 54 3.384 -0.131 -8.748 1.00 0.00 O ATOM 762 CB VAL A 54 1.735 0.901 -11.240 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.663 0.064 -11.942 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.246 1.382 -9.873 1.00 0.00 C ATOM 0 H VAL A 54 2.368 -1.738 -10.410 1.00 0.00 H new ATOM 0 HA VAL A 54 3.691 0.462 -11.918 1.00 0.00 H new ATOM 0 HB VAL A 54 1.930 1.780 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.257 0.643 -12.021 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.008 -0.207 -12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.473 -0.842 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.315 1.935 -9.994 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.076 0.523 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.998 2.032 -9.425 1.00 0.00 H new ATOM 774 N VAL A 55 4.817 1.197 -9.886 1.00 0.00 N ATOM 775 CA VAL A 55 5.604 1.541 -8.714 1.00 0.00 C ATOM 776 C VAL A 55 4.666 1.939 -7.573 1.00 0.00 C ATOM 777 O VAL A 55 3.696 2.665 -7.787 1.00 0.00 O ATOM 778 CB VAL A 55 6.615 2.634 -9.065 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.178 3.287 -7.801 1.00 0.00 C ATOM 780 CG2 VAL A 55 7.739 2.080 -9.943 1.00 0.00 C ATOM 0 H VAL A 55 5.136 1.625 -10.755 1.00 0.00 H new ATOM 0 HA VAL A 55 6.180 0.680 -8.375 1.00 0.00 H new ATOM 0 HB VAL A 55 6.093 3.403 -9.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.894 4.060 -8.079 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.365 3.734 -7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.677 2.532 -7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.444 2.878 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.257 1.283 -9.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.317 1.684 -10.867 1.00 0.00 H new ATOM 790 N TRP A 56 4.986 1.444 -6.386 1.00 0.00 N ATOM 791 CA TRP A 56 4.183 1.739 -5.212 1.00 0.00 C ATOM 792 C TRP A 56 5.129 1.890 -4.018 1.00 0.00 C ATOM 793 O TRP A 56 6.020 1.065 -3.820 1.00 0.00 O ATOM 794 CB TRP A 56 3.114 0.667 -4.995 1.00 0.00 C ATOM 795 CG TRP A 56 1.819 1.195 -4.375 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.489 1.255 -3.078 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.686 1.740 -5.084 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.232 1.796 -2.899 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.272 2.100 -4.159 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.478 1.922 -6.463 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.504 2.665 -4.510 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.758 2.488 -6.798 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.733 2.856 -5.878 1.00 0.00 C ATOM 0 H TRP A 56 5.790 0.841 -6.213 1.00 0.00 H new ATOM 0 HA TRP A 56 3.636 2.673 -5.344 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.882 0.201 -5.953 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.521 -0.112 -4.351 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.127 0.922 -2.273 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.240 1.945 -2.007 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.213 1.647 -7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.238 2.939 -3.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.969 2.650 -7.845 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.663 3.287 -6.217 1.00 0.00 H new ATOM 814 N ASP A 57 4.903 2.949 -3.255 1.00 0.00 N ATOM 815 CA ASP A 57 5.724 3.218 -2.087 1.00 0.00 C ATOM 816 C ASP A 57 5.423 2.178 -1.006 1.00 0.00 C ATOM 817 O ASP A 57 4.284 1.733 -0.867 1.00 0.00 O ATOM 818 CB ASP A 57 5.421 4.602 -1.508 1.00 0.00 C ATOM 819 CG ASP A 57 5.812 5.778 -2.405 1.00 0.00 C ATOM 820 OD1 ASP A 57 6.451 5.510 -3.446 1.00 0.00 O ATOM 821 OD2 ASP A 57 5.463 6.918 -2.031 1.00 0.00 O ATOM 0 H ASP A 57 4.163 3.631 -3.423 1.00 0.00 H new ATOM 0 HA ASP A 57 6.769 3.175 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.354 4.665 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.941 4.703 -0.555 1.00 0.00 H new ATOM 826 N LEU A 58 6.463 1.819 -0.269 1.00 0.00 N ATOM 827 CA LEU A 58 6.325 0.839 0.795 1.00 0.00 C ATOM 828 C LEU A 58 5.522 1.451 1.945 1.00 0.00 C ATOM 829 O LEU A 58 4.806 0.744 2.652 1.00 0.00 O ATOM 830 CB LEU A 58 7.696 0.308 1.217 1.00 0.00 C ATOM 831 CG LEU A 58 8.643 -0.082 0.080 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.095 -0.107 0.561 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.224 -1.411 -0.550 1.00 0.00 C ATOM 0 H LEU A 58 7.406 2.189 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 58 5.768 -0.029 0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.186 1.067 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.546 -0.564 1.853 1.00 0.00 H new ATOM 0 HG LEU A 58 8.575 0.678 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.747 -0.387 -0.266 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.375 0.882 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.199 -0.833 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.913 -1.665 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.245 -2.195 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.215 -1.321 -0.951 1.00 0.00 H new ATOM 845 N ASP A 59 5.668 2.759 2.096 1.00 0.00 N ATOM 846 CA ASP A 59 4.966 3.475 3.148 1.00 0.00 C ATOM 847 C ASP A 59 3.616 3.959 2.616 1.00 0.00 C ATOM 848 O ASP A 59 3.184 5.068 2.925 1.00 0.00 O ATOM 849 CB ASP A 59 5.760 4.699 3.606 1.00 0.00 C ATOM 850 CG ASP A 59 5.652 5.920 2.690 1.00 0.00 C ATOM 851 OD1 ASP A 59 5.464 5.702 1.474 1.00 0.00 O ATOM 852 OD2 ASP A 59 5.760 7.044 3.227 1.00 0.00 O ATOM 0 H ASP A 59 6.262 3.342 1.507 1.00 0.00 H new ATOM 0 HA ASP A 59 4.836 2.795 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.422 4.981 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.810 4.420 3.693 1.00 0.00 H new ATOM 857 N ARG A 60 2.986 3.103 1.824 1.00 0.00 N ATOM 858 CA ARG A 60 1.694 3.429 1.246 1.00 0.00 C ATOM 859 C ARG A 60 0.857 2.161 1.067 1.00 0.00 C ATOM 860 O ARG A 60 1.319 1.186 0.478 1.00 0.00 O ATOM 861 CB ARG A 60 1.856 4.121 -0.109 1.00 0.00 C ATOM 862 CG ARG A 60 0.500 4.560 -0.666 1.00 0.00 C ATOM 863 CD ARG A 60 0.660 5.235 -2.030 1.00 0.00 C ATOM 864 NE ARG A 60 -0.147 6.475 -2.079 1.00 0.00 N ATOM 865 CZ ARG A 60 -1.485 6.499 -2.129 1.00 0.00 C ATOM 866 NH1 ARG A 60 -2.176 5.350 -2.138 1.00 0.00 N ATOM 867 NH2 ARG A 60 -2.133 7.671 -2.172 1.00 0.00 N ATOM 0 H ARG A 60 3.347 2.184 1.569 1.00 0.00 H new ATOM 0 HA ARG A 60 1.187 4.109 1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.508 4.988 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.340 3.443 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.156 3.695 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.022 5.249 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.710 5.467 -2.209 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.345 4.555 -2.821 1.00 0.00 H new ATOM 0 HE ARG A 60 0.347 7.367 -2.074 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.683 4.458 -2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.195 5.368 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.607 8.545 -2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.152 7.689 -2.210 1.00 0.00 H new ATOM 881 N PRO A 61 -0.393 2.218 1.600 1.00 0.00 N ATOM 882 CA PRO A 61 -1.299 1.086 1.505 1.00 0.00 C ATOM 883 C PRO A 61 -1.870 0.958 0.091 1.00 0.00 C ATOM 884 O PRO A 61 -2.080 1.960 -0.591 1.00 0.00 O ATOM 885 CB PRO A 61 -2.366 1.347 2.555 1.00 0.00 C ATOM 886 CG PRO A 61 -2.281 2.830 2.876 1.00 0.00 C ATOM 887 CD PRO A 61 -0.975 3.357 2.304 1.00 0.00 C ATOM 0 HA PRO A 61 -0.803 0.133 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.355 1.085 2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.193 0.744 3.446 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.129 3.363 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.318 2.990 3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.148 4.194 1.628 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.313 3.716 3.092 1.00 0.00 H new ATOM 895 N LEU A 62 -2.105 -0.284 -0.308 1.00 0.00 N ATOM 896 CA LEU A 62 -2.648 -0.556 -1.628 1.00 0.00 C ATOM 897 C LEU A 62 -4.004 0.138 -1.770 1.00 0.00 C ATOM 898 O LEU A 62 -4.455 0.822 -0.852 1.00 0.00 O ATOM 899 CB LEU A 62 -2.698 -2.063 -1.886 1.00 0.00 C ATOM 900 CG LEU A 62 -1.454 -2.855 -1.480 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.194 -1.993 -1.593 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.616 -3.452 -0.081 1.00 0.00 C ATOM 0 H LEU A 62 -1.929 -1.113 0.260 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.997 -0.145 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.556 -2.474 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.876 -2.224 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.338 -3.688 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.676 -2.580 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.074 -1.658 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.286 -1.127 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.718 -4.010 0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.770 -2.650 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.476 -4.122 -0.069 1.00 0.00 H new ATOM 914 N GLU A 63 -4.617 -0.063 -2.927 1.00 0.00 N ATOM 915 CA GLU A 63 -5.913 0.535 -3.201 1.00 0.00 C ATOM 916 C GLU A 63 -6.976 -0.554 -3.364 1.00 0.00 C ATOM 917 O GLU A 63 -8.135 -0.354 -3.003 1.00 0.00 O ATOM 918 CB GLU A 63 -5.853 1.432 -4.439 1.00 0.00 C ATOM 919 CG GLU A 63 -5.338 2.828 -4.079 1.00 0.00 C ATOM 920 CD GLU A 63 -5.627 3.825 -5.204 1.00 0.00 C ATOM 921 OE1 GLU A 63 -5.481 3.416 -6.376 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.988 4.973 -4.865 1.00 0.00 O ATOM 0 H GLU A 63 -4.241 -0.631 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.189 1.161 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.201 0.982 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.845 1.510 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.810 3.167 -3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.265 2.787 -3.891 1.00 0.00 H new ATOM 929 N GLU A 64 -6.543 -1.681 -3.909 1.00 0.00 N ATOM 930 CA GLU A 64 -7.443 -2.802 -4.125 1.00 0.00 C ATOM 931 C GLU A 64 -6.669 -4.010 -4.656 1.00 0.00 C ATOM 932 O GLU A 64 -5.462 -3.929 -4.879 1.00 0.00 O ATOM 933 CB GLU A 64 -8.579 -2.418 -5.076 1.00 0.00 C ATOM 934 CG GLU A 64 -8.046 -2.144 -6.483 1.00 0.00 C ATOM 935 CD GLU A 64 -9.099 -1.437 -7.340 1.00 0.00 C ATOM 936 OE1 GLU A 64 -9.992 -2.151 -7.846 1.00 0.00 O ATOM 937 OE2 GLU A 64 -8.987 -0.199 -7.470 1.00 0.00 O ATOM 0 H GLU A 64 -5.581 -1.842 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.890 -3.073 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.315 -3.221 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.091 -1.533 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.148 -1.529 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.758 -3.083 -6.956 1.00 0.00 H new ATOM 944 N ASP A 65 -7.395 -5.102 -4.842 1.00 0.00 N ATOM 945 CA ASP A 65 -6.791 -6.325 -5.343 1.00 0.00 C ATOM 946 C ASP A 65 -5.799 -5.981 -6.455 1.00 0.00 C ATOM 947 O ASP A 65 -6.195 -5.513 -7.522 1.00 0.00 O ATOM 948 CB ASP A 65 -7.849 -7.263 -5.926 1.00 0.00 C ATOM 949 CG ASP A 65 -9.096 -7.452 -5.059 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.952 -8.079 -3.988 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.164 -6.963 -5.487 1.00 0.00 O ATOM 0 H ASP A 65 -8.396 -5.166 -4.655 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.291 -6.819 -4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.156 -6.879 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.393 -8.238 -6.097 1.00 0.00 H new ATOM 956 N CYS A 66 -4.529 -6.227 -6.169 1.00 0.00 N ATOM 957 CA CYS A 66 -3.477 -5.949 -7.132 1.00 0.00 C ATOM 958 C CYS A 66 -2.320 -6.915 -6.872 1.00 0.00 C ATOM 959 O CYS A 66 -2.389 -7.742 -5.964 1.00 0.00 O ATOM 960 CB CYS A 66 -3.025 -4.488 -7.071 1.00 0.00 C ATOM 961 SG CYS A 66 -2.448 -4.082 -5.382 1.00 0.00 S ATOM 0 H CYS A 66 -4.205 -6.616 -5.284 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.857 -6.101 -8.142 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.223 -4.316 -7.789 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.849 -3.832 -7.350 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.472 -3.964 -4.590 1.00 0.00 H new ATOM 967 N THR A 67 -1.284 -6.780 -7.687 1.00 0.00 N ATOM 968 CA THR A 67 -0.113 -7.631 -7.556 1.00 0.00 C ATOM 969 C THR A 67 1.005 -6.891 -6.818 1.00 0.00 C ATOM 970 O THR A 67 1.051 -5.662 -6.826 1.00 0.00 O ATOM 971 CB THR A 67 0.289 -8.099 -8.956 1.00 0.00 C ATOM 972 OG1 THR A 67 0.194 -6.924 -9.756 1.00 0.00 O ATOM 973 CG2 THR A 67 -0.736 -9.053 -9.572 1.00 0.00 C ATOM 0 H THR A 67 -1.231 -6.094 -8.440 1.00 0.00 H new ATOM 0 HA THR A 67 -0.330 -8.512 -6.952 1.00 0.00 H new ATOM 0 HB THR A 67 1.260 -8.592 -8.908 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.705 -6.862 -10.141 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.402 -9.354 -10.565 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.838 -9.935 -8.940 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.700 -8.550 -9.651 1.00 0.00 H new ATOM 981 N LEU A 68 1.877 -7.671 -6.197 1.00 0.00 N ATOM 982 CA LEU A 68 2.992 -7.106 -5.456 1.00 0.00 C ATOM 983 C LEU A 68 4.301 -7.702 -5.977 1.00 0.00 C ATOM 984 O LEU A 68 4.405 -8.914 -6.161 1.00 0.00 O ATOM 985 CB LEU A 68 2.785 -7.295 -3.952 1.00 0.00 C ATOM 986 CG LEU A 68 3.936 -6.835 -3.054 1.00 0.00 C ATOM 987 CD1 LEU A 68 4.272 -5.364 -3.303 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.626 -7.111 -1.581 1.00 0.00 C ATOM 0 H LEU A 68 1.834 -8.690 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 68 3.048 -6.029 -5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.884 -6.756 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.601 -8.352 -3.761 1.00 0.00 H new ATOM 0 HG LEU A 68 4.822 -7.415 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.093 -5.063 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.566 -5.229 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.397 -4.750 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.460 -6.775 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.722 -6.574 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.475 -8.181 -1.435 1.00 0.00 H new ATOM 1000 N GLU A 69 5.267 -6.824 -6.200 1.00 0.00 N ATOM 1001 CA GLU A 69 6.565 -7.249 -6.696 1.00 0.00 C ATOM 1002 C GLU A 69 7.675 -6.399 -6.075 1.00 0.00 C ATOM 1003 O GLU A 69 7.793 -5.211 -6.373 1.00 0.00 O ATOM 1004 CB GLU A 69 6.615 -7.185 -8.224 1.00 0.00 C ATOM 1005 CG GLU A 69 7.970 -7.665 -8.748 1.00 0.00 C ATOM 1006 CD GLU A 69 8.008 -7.636 -10.277 1.00 0.00 C ATOM 1007 OE1 GLU A 69 8.308 -6.549 -10.817 1.00 0.00 O ATOM 1008 OE2 GLU A 69 7.737 -8.701 -10.872 1.00 0.00 O ATOM 0 H GLU A 69 5.177 -5.820 -6.046 1.00 0.00 H new ATOM 0 HA GLU A 69 6.722 -8.287 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.820 -7.801 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.434 -6.162 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.763 -7.033 -8.349 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.162 -8.678 -8.395 1.00 0.00 H new ATOM 1015 N LEU A 70 8.460 -7.040 -5.222 1.00 0.00 N ATOM 1016 CA LEU A 70 9.557 -6.357 -4.556 1.00 0.00 C ATOM 1017 C LEU A 70 10.716 -6.183 -5.539 1.00 0.00 C ATOM 1018 O LEU A 70 11.196 -7.158 -6.117 1.00 0.00 O ATOM 1019 CB LEU A 70 9.945 -7.093 -3.272 1.00 0.00 C ATOM 1020 CG LEU A 70 8.828 -7.282 -2.243 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.798 -6.154 -2.339 1.00 0.00 C ATOM 1022 CD2 LEU A 70 8.181 -8.661 -2.382 1.00 0.00 C ATOM 0 H LEU A 70 8.359 -8.025 -4.976 1.00 0.00 H new ATOM 0 HA LEU A 70 9.251 -5.358 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.332 -8.075 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.761 -6.548 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 70 9.269 -7.233 -1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.015 -6.312 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.287 -5.198 -2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.357 -6.148 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.391 -8.769 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.757 -8.765 -3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.934 -9.434 -2.226 1.00 0.00 H new ATOM 1034 N LEU A 71 11.132 -4.936 -5.699 1.00 0.00 N ATOM 1035 CA LEU A 71 12.226 -4.622 -6.603 1.00 0.00 C ATOM 1036 C LEU A 71 13.552 -4.729 -5.847 1.00 0.00 C ATOM 1037 O LEU A 71 13.591 -4.571 -4.628 1.00 0.00 O ATOM 1038 CB LEU A 71 12.002 -3.259 -7.262 1.00 0.00 C ATOM 1039 CG LEU A 71 11.145 -3.260 -8.530 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.113 -4.389 -8.493 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.493 -1.894 -8.751 1.00 0.00 C ATOM 0 H LEU A 71 10.732 -4.131 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 71 12.265 -5.343 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.535 -2.597 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.974 -2.831 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 71 11.797 -3.448 -9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.517 -4.367 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.625 -5.348 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.460 -4.257 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.890 -1.921 -9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.857 -1.652 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.267 -1.134 -8.853 1.00 0.00 H new