USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 484 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 HIS : no HE2:sc= 1.24 K(o=2.2,f=-8.7!) USER MOD Set 1.2: A 24 GLN : amide:sc= 0.982 K(o=2.2,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.192 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0383 X(o=-0.038,f=-0.18) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0914 USER MOD Single : A 32 SER OG : rot 180:sc= -1.19 USER MOD Single : A 35 THR OG1 : rot 97:sc= 0.993 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -95:sc= -0.809 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 82:sc= 0.339 USER MOD Single : A 66 ASN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 67 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.097) USER MOD Single : A 68 SER OG : rot 23:sc= 0.504 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.814 -24.427 -41.589 1.00 0.00 N ATOM 2 CA GLY A 1 3.909 -23.646 -42.414 1.00 0.00 C ATOM 3 C GLY A 1 3.944 -22.168 -42.020 1.00 0.00 C ATOM 4 O GLY A 1 3.818 -21.833 -40.843 1.00 0.00 O ATOM 0 H1 GLY A 1 4.771 -25.426 -41.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.785 -24.074 -41.708 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.535 -24.342 -40.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.184 -23.753 -43.463 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.894 -24.030 -42.310 1.00 0.00 H new ATOM 8 N SER A 2 4.117 -21.324 -43.026 1.00 0.00 N ATOM 9 CA SER A 2 4.170 -19.890 -42.799 1.00 0.00 C ATOM 10 C SER A 2 3.954 -19.143 -44.117 1.00 0.00 C ATOM 11 O SER A 2 4.418 -19.583 -45.167 1.00 0.00 O ATOM 12 CB SER A 2 5.504 -19.481 -42.170 1.00 0.00 C ATOM 13 OG SER A 2 6.543 -19.383 -43.140 1.00 0.00 O ATOM 0 H SER A 2 4.222 -21.606 -44.001 1.00 0.00 H new ATOM 0 HA SER A 2 3.374 -19.624 -42.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.388 -18.522 -41.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.785 -20.210 -41.410 1.00 0.00 H new ATOM 0 HG SER A 2 7.378 -19.118 -42.700 1.00 0.00 H new ATOM 19 N SER A 3 3.249 -18.025 -44.018 1.00 0.00 N ATOM 20 CA SER A 3 2.966 -17.213 -45.189 1.00 0.00 C ATOM 21 C SER A 3 2.155 -18.022 -46.203 1.00 0.00 C ATOM 22 O SER A 3 2.153 -19.251 -46.162 1.00 0.00 O ATOM 23 CB SER A 3 4.257 -16.701 -45.829 1.00 0.00 C ATOM 24 OG SER A 3 4.147 -15.340 -46.239 1.00 0.00 O ATOM 0 H SER A 3 2.866 -17.663 -43.145 1.00 0.00 H new ATOM 0 HA SER A 3 2.382 -16.349 -44.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.078 -16.800 -45.119 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.505 -17.320 -46.691 1.00 0.00 H new ATOM 0 HG SER A 3 4.992 -15.050 -46.641 1.00 0.00 H new ATOM 30 N GLY A 4 1.486 -17.299 -47.089 1.00 0.00 N ATOM 31 CA GLY A 4 0.673 -17.935 -48.112 1.00 0.00 C ATOM 32 C GLY A 4 -0.769 -18.114 -47.633 1.00 0.00 C ATOM 33 O GLY A 4 -1.229 -17.390 -46.752 1.00 0.00 O ATOM 0 H GLY A 4 1.490 -16.279 -47.120 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.686 -17.331 -49.020 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.098 -18.905 -48.368 1.00 0.00 H new ATOM 37 N SER A 5 -1.443 -19.084 -48.236 1.00 0.00 N ATOM 38 CA SER A 5 -2.823 -19.367 -47.882 1.00 0.00 C ATOM 39 C SER A 5 -3.699 -18.147 -48.172 1.00 0.00 C ATOM 40 O SER A 5 -3.188 -17.064 -48.451 1.00 0.00 O ATOM 41 CB SER A 5 -2.943 -19.769 -46.410 1.00 0.00 C ATOM 42 OG SER A 5 -3.036 -21.182 -46.249 1.00 0.00 O ATOM 0 H SER A 5 -1.058 -19.683 -48.967 1.00 0.00 H new ATOM 0 HA SER A 5 -3.166 -20.205 -48.489 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.078 -19.398 -45.861 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.823 -19.296 -45.975 1.00 0.00 H new ATOM 0 HG SER A 5 -3.109 -21.399 -45.296 1.00 0.00 H new ATOM 48 N SER A 6 -5.004 -18.364 -48.096 1.00 0.00 N ATOM 49 CA SER A 6 -5.956 -17.295 -48.347 1.00 0.00 C ATOM 50 C SER A 6 -7.217 -17.510 -47.507 1.00 0.00 C ATOM 51 O SER A 6 -7.870 -18.546 -47.616 1.00 0.00 O ATOM 52 CB SER A 6 -6.315 -17.214 -49.832 1.00 0.00 C ATOM 53 OG SER A 6 -6.801 -18.457 -50.332 1.00 0.00 O ATOM 0 H SER A 6 -5.424 -19.264 -47.864 1.00 0.00 H new ATOM 0 HA SER A 6 -5.493 -16.351 -48.061 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.071 -16.443 -49.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.436 -16.913 -50.402 1.00 0.00 H new ATOM 0 HG SER A 6 -7.324 -18.907 -49.636 1.00 0.00 H new ATOM 59 N GLY A 7 -7.521 -16.513 -46.688 1.00 0.00 N ATOM 60 CA GLY A 7 -8.692 -16.580 -45.831 1.00 0.00 C ATOM 61 C GLY A 7 -8.799 -15.333 -44.951 1.00 0.00 C ATOM 62 O GLY A 7 -9.274 -14.291 -45.400 1.00 0.00 O ATOM 0 H GLY A 7 -6.977 -15.655 -46.600 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.589 -16.676 -46.442 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.637 -17.469 -45.203 1.00 0.00 H new ATOM 66 N LEU A 8 -8.349 -15.480 -43.714 1.00 0.00 N ATOM 67 CA LEU A 8 -8.388 -14.379 -42.767 1.00 0.00 C ATOM 68 C LEU A 8 -7.291 -14.574 -41.718 1.00 0.00 C ATOM 69 O LEU A 8 -7.014 -15.700 -41.307 1.00 0.00 O ATOM 70 CB LEU A 8 -9.790 -14.234 -42.171 1.00 0.00 C ATOM 71 CG LEU A 8 -10.434 -12.852 -42.299 1.00 0.00 C ATOM 72 CD1 LEU A 8 -9.609 -11.793 -41.565 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.660 -12.487 -43.767 1.00 0.00 C ATOM 0 H LEU A 8 -7.955 -16.346 -43.345 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.182 -13.435 -43.272 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.444 -14.963 -42.649 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.742 -14.494 -41.114 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.413 -12.885 -41.821 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.088 -10.820 -41.672 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.543 -12.051 -40.508 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.607 -11.752 -41.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -11.119 -11.500 -43.830 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.704 -12.477 -44.291 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -11.318 -13.223 -44.228 1.00 0.00 H new ATOM 85 N LEU A 9 -6.697 -13.461 -41.316 1.00 0.00 N ATOM 86 CA LEU A 9 -5.636 -13.495 -40.323 1.00 0.00 C ATOM 87 C LEU A 9 -6.148 -12.889 -39.015 1.00 0.00 C ATOM 88 O LEU A 9 -6.757 -11.821 -39.018 1.00 0.00 O ATOM 89 CB LEU A 9 -4.375 -12.818 -40.862 1.00 0.00 C ATOM 90 CG LEU A 9 -3.085 -13.636 -40.776 1.00 0.00 C ATOM 91 CD1 LEU A 9 -2.100 -13.223 -41.872 1.00 0.00 C ATOM 92 CD2 LEU A 9 -2.465 -13.538 -39.381 1.00 0.00 C ATOM 0 H LEU A 9 -6.930 -12.529 -41.660 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.349 -14.524 -40.107 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.546 -12.555 -41.906 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.227 -11.885 -40.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.333 -14.684 -40.944 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.192 -13.820 -41.788 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.553 -13.387 -42.849 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.852 -12.167 -41.760 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.549 -14.129 -39.347 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.233 -12.496 -39.158 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.170 -13.919 -38.642 1.00 0.00 H new ATOM 104 N SER A 10 -5.883 -13.598 -37.927 1.00 0.00 N ATOM 105 CA SER A 10 -6.309 -13.144 -36.615 1.00 0.00 C ATOM 106 C SER A 10 -5.659 -14.001 -35.527 1.00 0.00 C ATOM 107 O SER A 10 -5.524 -15.213 -35.685 1.00 0.00 O ATOM 108 CB SER A 10 -7.833 -13.188 -36.485 1.00 0.00 C ATOM 109 OG SER A 10 -8.342 -14.512 -36.622 1.00 0.00 O ATOM 0 H SER A 10 -5.378 -14.484 -37.928 1.00 0.00 H new ATOM 0 HA SER A 10 -5.990 -12.109 -36.492 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.126 -12.785 -35.515 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.280 -12.547 -37.245 1.00 0.00 H new ATOM 0 HG SER A 10 -9.318 -14.498 -36.531 1.00 0.00 H new ATOM 115 N HIS A 11 -5.273 -13.337 -34.447 1.00 0.00 N ATOM 116 CA HIS A 11 -4.640 -14.023 -33.334 1.00 0.00 C ATOM 117 C HIS A 11 -5.178 -13.465 -32.014 1.00 0.00 C ATOM 118 O HIS A 11 -5.787 -12.397 -31.991 1.00 0.00 O ATOM 119 CB HIS A 11 -3.116 -13.936 -33.437 1.00 0.00 C ATOM 120 CG HIS A 11 -2.387 -15.034 -32.702 1.00 0.00 C ATOM 121 ND1 HIS A 11 -2.545 -16.375 -33.007 1.00 0.00 N ATOM 122 CD2 HIS A 11 -1.493 -14.977 -31.673 1.00 0.00 C ATOM 123 CE1 HIS A 11 -1.778 -17.083 -32.192 1.00 0.00 C ATOM 124 NE2 HIS A 11 -1.126 -16.215 -31.365 1.00 0.00 N ATOM 0 H HIS A 11 -5.387 -12.331 -34.319 1.00 0.00 H new ATOM 0 HA HIS A 11 -4.888 -15.084 -33.368 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.831 -13.966 -34.489 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.790 -12.972 -33.045 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.143 -14.076 -31.190 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.685 -18.159 -32.183 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.466 -16.474 -30.632 1.00 0.00 H new ATOM 132 N MET A 12 -4.933 -14.214 -30.949 1.00 0.00 N ATOM 133 CA MET A 12 -5.385 -13.807 -29.629 1.00 0.00 C ATOM 134 C MET A 12 -4.220 -13.276 -28.790 1.00 0.00 C ATOM 135 O MET A 12 -4.239 -12.126 -28.354 1.00 0.00 O ATOM 136 CB MET A 12 -6.024 -15.001 -28.918 1.00 0.00 C ATOM 137 CG MET A 12 -7.535 -14.809 -28.773 1.00 0.00 C ATOM 138 SD MET A 12 -8.367 -15.395 -30.240 1.00 0.00 S ATOM 139 CE MET A 12 -8.695 -17.082 -29.757 1.00 0.00 C ATOM 0 H MET A 12 -4.428 -15.100 -30.973 1.00 0.00 H new ATOM 0 HA MET A 12 -6.117 -13.008 -29.746 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.822 -15.913 -29.479 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.574 -15.126 -27.933 1.00 0.00 H new ATOM 0 HG2 MET A 12 -7.897 -15.350 -27.899 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.762 -13.755 -28.612 1.00 0.00 H new ATOM 0 HE1 MET A 12 -9.215 -17.597 -30.565 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.754 -17.590 -29.549 1.00 0.00 H new ATOM 0 HE3 MET A 12 -9.317 -17.090 -28.862 1.00 0.00 H new ATOM 149 N ASP A 13 -3.235 -14.139 -28.590 1.00 0.00 N ATOM 150 CA ASP A 13 -2.065 -13.771 -27.811 1.00 0.00 C ATOM 151 C ASP A 13 -2.491 -13.461 -26.375 1.00 0.00 C ATOM 152 O ASP A 13 -3.046 -12.398 -26.104 1.00 0.00 O ATOM 153 CB ASP A 13 -1.392 -12.523 -28.385 1.00 0.00 C ATOM 154 CG ASP A 13 0.138 -12.550 -28.372 1.00 0.00 C ATOM 155 OD1 ASP A 13 0.686 -13.234 -27.481 1.00 0.00 O ATOM 156 OD2 ASP A 13 0.725 -11.886 -29.254 1.00 0.00 O ATOM 0 H ASP A 13 -3.223 -15.092 -28.954 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.364 -14.605 -27.841 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.729 -12.387 -29.412 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.730 -11.654 -27.820 1.00 0.00 H new ATOM 161 N ASP A 14 -2.213 -14.409 -25.491 1.00 0.00 N ATOM 162 CA ASP A 14 -2.560 -14.250 -24.089 1.00 0.00 C ATOM 163 C ASP A 14 -1.312 -14.470 -23.232 1.00 0.00 C ATOM 164 O ASP A 14 -0.593 -15.451 -23.416 1.00 0.00 O ATOM 165 CB ASP A 14 -3.614 -15.274 -23.663 1.00 0.00 C ATOM 166 CG ASP A 14 -3.224 -16.736 -23.892 1.00 0.00 C ATOM 167 OD1 ASP A 14 -2.952 -17.074 -25.064 1.00 0.00 O ATOM 168 OD2 ASP A 14 -3.207 -17.482 -22.889 1.00 0.00 O ATOM 0 H ASP A 14 -1.751 -15.290 -25.719 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.958 -13.245 -23.951 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.829 -15.133 -22.604 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.537 -15.070 -24.206 1.00 0.00 H new ATOM 173 N PRO A 15 -1.089 -13.518 -22.287 1.00 0.00 N ATOM 174 CA PRO A 15 0.059 -13.598 -21.400 1.00 0.00 C ATOM 175 C PRO A 15 -0.153 -14.665 -20.324 1.00 0.00 C ATOM 176 O PRO A 15 0.810 -15.197 -19.774 1.00 0.00 O ATOM 177 CB PRO A 15 0.213 -12.199 -20.828 1.00 0.00 C ATOM 178 CG PRO A 15 -1.122 -11.508 -21.051 1.00 0.00 C ATOM 179 CD PRO A 15 -1.920 -12.343 -22.040 1.00 0.00 C ATOM 0 HA PRO A 15 0.969 -13.904 -21.916 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.461 -12.236 -19.767 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.019 -11.660 -21.325 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.663 -11.410 -20.110 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.970 -10.500 -21.437 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.890 -12.623 -21.630 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.110 -11.792 -22.961 1.00 0.00 H new ATOM 187 N ASP A 16 -1.420 -14.945 -20.056 1.00 0.00 N ATOM 188 CA ASP A 16 -1.771 -15.938 -19.055 1.00 0.00 C ATOM 189 C ASP A 16 -3.289 -15.950 -18.865 1.00 0.00 C ATOM 190 O ASP A 16 -3.779 -15.849 -17.741 1.00 0.00 O ATOM 191 CB ASP A 16 -1.129 -15.611 -17.705 1.00 0.00 C ATOM 192 CG ASP A 16 -0.678 -16.826 -16.892 1.00 0.00 C ATOM 193 OD1 ASP A 16 -0.687 -17.933 -17.474 1.00 0.00 O ATOM 194 OD2 ASP A 16 -0.335 -16.621 -15.708 1.00 0.00 O ATOM 0 H ASP A 16 -2.216 -14.502 -20.515 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.410 -16.907 -19.401 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.266 -14.967 -17.876 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.841 -15.039 -17.110 1.00 0.00 H new ATOM 199 N ILE A 17 -3.992 -16.075 -19.982 1.00 0.00 N ATOM 200 CA ILE A 17 -5.444 -16.102 -19.953 1.00 0.00 C ATOM 201 C ILE A 17 -5.919 -17.537 -19.718 1.00 0.00 C ATOM 202 O ILE A 17 -6.625 -18.105 -20.550 1.00 0.00 O ATOM 203 CB ILE A 17 -6.017 -15.464 -21.220 1.00 0.00 C ATOM 204 CG1 ILE A 17 -5.645 -13.982 -21.304 1.00 0.00 C ATOM 205 CG2 ILE A 17 -7.529 -15.681 -21.307 1.00 0.00 C ATOM 206 CD1 ILE A 17 -6.149 -13.364 -22.610 1.00 0.00 C ATOM 0 H ILE A 17 -3.582 -16.159 -20.912 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.820 -15.502 -19.124 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.570 -15.958 -22.083 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.072 -13.447 -20.456 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.563 -13.871 -21.239 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.911 -15.218 -22.217 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.743 -16.750 -21.327 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.012 -15.230 -20.440 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.872 -12.310 -22.645 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.701 -13.885 -23.456 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.234 -13.455 -22.661 1.00 0.00 H new ATOM 218 N ASP A 18 -5.512 -18.083 -18.581 1.00 0.00 N ATOM 219 CA ASP A 18 -5.887 -19.441 -18.227 1.00 0.00 C ATOM 220 C ASP A 18 -5.212 -19.825 -16.909 1.00 0.00 C ATOM 221 O ASP A 18 -4.065 -20.271 -16.902 1.00 0.00 O ATOM 222 CB ASP A 18 -5.433 -20.435 -19.298 1.00 0.00 C ATOM 223 CG ASP A 18 -5.791 -21.896 -19.018 1.00 0.00 C ATOM 224 OD1 ASP A 18 -6.989 -22.148 -18.764 1.00 0.00 O ATOM 225 OD2 ASP A 18 -4.859 -22.727 -19.063 1.00 0.00 O ATOM 0 H ASP A 18 -4.926 -17.609 -17.893 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.973 -19.478 -18.138 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.874 -20.145 -20.252 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.352 -20.357 -19.410 1.00 0.00 H new ATOM 230 N ALA A 19 -5.951 -19.637 -15.826 1.00 0.00 N ATOM 231 CA ALA A 19 -5.437 -19.958 -14.505 1.00 0.00 C ATOM 232 C ALA A 19 -6.532 -19.715 -13.464 1.00 0.00 C ATOM 233 O ALA A 19 -7.633 -19.287 -13.805 1.00 0.00 O ATOM 234 CB ALA A 19 -4.179 -19.131 -14.231 1.00 0.00 C ATOM 0 H ALA A 19 -6.901 -19.267 -15.836 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.155 -21.009 -14.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.794 -19.372 -13.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.422 -19.361 -14.981 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.424 -18.070 -14.277 1.00 0.00 H new ATOM 240 N PRO A 20 -6.182 -20.006 -12.182 1.00 0.00 N ATOM 241 CA PRO A 20 -7.122 -19.824 -11.090 1.00 0.00 C ATOM 242 C PRO A 20 -7.281 -18.342 -10.745 1.00 0.00 C ATOM 243 O PRO A 20 -6.955 -17.474 -11.554 1.00 0.00 O ATOM 244 CB PRO A 20 -6.554 -20.642 -9.942 1.00 0.00 C ATOM 245 CG PRO A 20 -5.090 -20.874 -10.279 1.00 0.00 C ATOM 246 CD PRO A 20 -4.886 -20.515 -11.742 1.00 0.00 C ATOM 0 HA PRO A 20 -8.128 -20.159 -11.341 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.657 -20.111 -8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -7.085 -21.588 -9.836 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.450 -20.262 -9.643 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.817 -21.914 -10.099 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.105 -19.764 -11.860 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -4.583 -21.385 -12.325 1.00 0.00 H new ATOM 254 N ILE A 21 -7.784 -18.097 -9.544 1.00 0.00 N ATOM 255 CA ILE A 21 -7.991 -16.735 -9.083 1.00 0.00 C ATOM 256 C ILE A 21 -6.985 -16.418 -7.975 1.00 0.00 C ATOM 257 O ILE A 21 -7.334 -15.792 -6.975 1.00 0.00 O ATOM 258 CB ILE A 21 -9.448 -16.525 -8.668 1.00 0.00 C ATOM 259 CG1 ILE A 21 -10.404 -17.027 -9.753 1.00 0.00 C ATOM 260 CG2 ILE A 21 -9.711 -15.062 -8.305 1.00 0.00 C ATOM 261 CD1 ILE A 21 -11.789 -17.317 -9.171 1.00 0.00 C ATOM 0 H ILE A 21 -8.054 -18.819 -8.876 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.809 -16.028 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.636 -17.117 -7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.487 -16.281 -10.544 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.000 -17.931 -10.209 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.754 -14.941 -8.014 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.067 -14.772 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.499 -14.430 -9.167 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.449 -17.672 -9.962 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.706 -18.081 -8.398 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.200 -16.405 -8.738 1.00 0.00 H new ATOM 273 N SER A 22 -5.756 -16.864 -8.189 1.00 0.00 N ATOM 274 CA SER A 22 -4.697 -16.635 -7.221 1.00 0.00 C ATOM 275 C SER A 22 -3.426 -17.372 -7.651 1.00 0.00 C ATOM 276 O SER A 22 -3.494 -18.496 -8.146 1.00 0.00 O ATOM 277 CB SER A 22 -5.123 -17.085 -5.822 1.00 0.00 C ATOM 278 OG SER A 22 -4.015 -17.525 -5.042 1.00 0.00 O ATOM 0 H SER A 22 -5.470 -17.383 -9.019 1.00 0.00 H new ATOM 0 HA SER A 22 -4.494 -15.565 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.621 -16.260 -5.312 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.850 -17.893 -5.907 1.00 0.00 H new ATOM 0 HG SER A 22 -4.328 -17.802 -4.156 1.00 0.00 H new ATOM 284 N HIS A 23 -2.298 -16.708 -7.448 1.00 0.00 N ATOM 285 CA HIS A 23 -1.014 -17.285 -7.809 1.00 0.00 C ATOM 286 C HIS A 23 0.091 -16.648 -6.964 1.00 0.00 C ATOM 287 O HIS A 23 0.774 -17.337 -6.207 1.00 0.00 O ATOM 288 CB HIS A 23 -0.762 -17.153 -9.312 1.00 0.00 C ATOM 289 CG HIS A 23 0.618 -17.589 -9.744 1.00 0.00 C ATOM 290 ND1 HIS A 23 1.629 -16.691 -10.037 1.00 0.00 N ATOM 291 CD2 HIS A 23 1.143 -18.834 -9.928 1.00 0.00 C ATOM 292 CE1 HIS A 23 2.710 -17.376 -10.382 1.00 0.00 C ATOM 293 NE2 HIS A 23 2.406 -18.704 -10.314 1.00 0.00 N ATOM 0 H HIS A 23 -2.246 -15.775 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.018 -18.353 -7.593 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -1.503 -17.746 -9.848 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.912 -16.114 -9.605 1.00 0.00 H new ATOM 0 HD1 HIS A 23 1.555 -15.675 -9.995 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.620 -19.768 -9.784 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.664 -16.957 -10.667 1.00 0.00 H new ATOM 301 N GLN A 24 0.232 -15.340 -7.121 1.00 0.00 N ATOM 302 CA GLN A 24 1.243 -14.603 -6.382 1.00 0.00 C ATOM 303 C GLN A 24 0.795 -14.394 -4.934 1.00 0.00 C ATOM 304 O GLN A 24 -0.284 -13.859 -4.685 1.00 0.00 O ATOM 305 CB GLN A 24 1.549 -13.265 -7.059 1.00 0.00 C ATOM 306 CG GLN A 24 2.931 -13.287 -7.716 1.00 0.00 C ATOM 307 CD GLN A 24 2.816 -13.485 -9.229 1.00 0.00 C ATOM 308 OE1 GLN A 24 1.859 -14.046 -9.736 1.00 0.00 O ATOM 309 NE2 GLN A 24 3.841 -12.993 -9.918 1.00 0.00 N ATOM 0 H GLN A 24 -0.337 -14.772 -7.749 1.00 0.00 H new ATOM 0 HA GLN A 24 2.162 -15.190 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.789 -13.051 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.505 -12.462 -6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.452 -12.353 -7.507 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.530 -14.089 -7.285 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.611 -12.535 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.858 -13.074 -10.935 1.00 0.00 H new ATOM 318 N THR A 25 1.647 -14.829 -4.017 1.00 0.00 N ATOM 319 CA THR A 25 1.352 -14.697 -2.600 1.00 0.00 C ATOM 320 C THR A 25 1.174 -13.224 -2.228 1.00 0.00 C ATOM 321 O THR A 25 1.771 -12.346 -2.848 1.00 0.00 O ATOM 322 CB THR A 25 2.470 -15.390 -1.819 1.00 0.00 C ATOM 323 OG1 THR A 25 2.032 -15.335 -0.464 1.00 0.00 O ATOM 324 CG2 THR A 25 3.772 -14.586 -1.822 1.00 0.00 C ATOM 0 H THR A 25 2.541 -15.273 -4.227 1.00 0.00 H new ATOM 0 HA THR A 25 0.409 -15.180 -2.345 1.00 0.00 H new ATOM 0 HB THR A 25 2.652 -16.377 -2.244 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.698 -15.764 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.532 -15.122 -1.254 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.114 -14.451 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.599 -13.611 -1.366 1.00 0.00 H new ATOM 332 N SER A 26 0.348 -12.998 -1.216 1.00 0.00 N ATOM 333 CA SER A 26 0.083 -11.646 -0.753 1.00 0.00 C ATOM 334 C SER A 26 1.394 -10.865 -0.642 1.00 0.00 C ATOM 335 O SER A 26 2.343 -11.325 -0.009 1.00 0.00 O ATOM 336 CB SER A 26 -0.644 -11.657 0.593 1.00 0.00 C ATOM 337 OG SER A 26 -2.021 -11.995 0.453 1.00 0.00 O ATOM 0 H SER A 26 -0.146 -13.729 -0.704 1.00 0.00 H new ATOM 0 HA SER A 26 -0.564 -11.156 -1.480 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.161 -12.371 1.260 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.557 -10.676 1.060 1.00 0.00 H new ATOM 0 HG SER A 26 -2.450 -11.993 1.334 1.00 0.00 H new ATOM 343 N ASP A 27 1.404 -9.697 -1.267 1.00 0.00 N ATOM 344 CA ASP A 27 2.583 -8.847 -1.247 1.00 0.00 C ATOM 345 C ASP A 27 2.149 -7.380 -1.263 1.00 0.00 C ATOM 346 O ASP A 27 2.910 -6.509 -1.680 1.00 0.00 O ATOM 347 CB ASP A 27 3.462 -9.094 -2.474 1.00 0.00 C ATOM 348 CG ASP A 27 4.850 -9.662 -2.172 1.00 0.00 C ATOM 349 OD1 ASP A 27 4.983 -10.299 -1.105 1.00 0.00 O ATOM 350 OD2 ASP A 27 5.747 -9.445 -3.015 1.00 0.00 O ATOM 0 H ASP A 27 0.615 -9.319 -1.791 1.00 0.00 H new ATOM 0 HA ASP A 27 3.150 -9.079 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.942 -9.781 -3.142 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.580 -8.154 -3.013 1.00 0.00 H new ATOM 355 N ILE A 28 0.927 -7.152 -0.805 1.00 0.00 N ATOM 356 CA ILE A 28 0.383 -5.806 -0.762 1.00 0.00 C ATOM 357 C ILE A 28 1.356 -4.891 -0.016 1.00 0.00 C ATOM 358 O ILE A 28 1.452 -4.947 1.209 1.00 0.00 O ATOM 359 CB ILE A 28 -1.028 -5.817 -0.169 1.00 0.00 C ATOM 360 CG1 ILE A 28 -1.985 -6.628 -1.046 1.00 0.00 C ATOM 361 CG2 ILE A 28 -1.535 -4.392 0.066 1.00 0.00 C ATOM 362 CD1 ILE A 28 -2.944 -7.457 -0.189 1.00 0.00 C ATOM 0 H ILE A 28 0.298 -7.877 -0.460 1.00 0.00 H new ATOM 0 HA ILE A 28 0.277 -5.406 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.986 -6.309 0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.554 -5.956 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.414 -7.287 -1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.539 -4.428 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.869 -3.878 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.558 -3.853 -0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.613 -8.024 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.373 -8.145 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.530 -6.793 0.447 1.00 0.00 H new ATOM 374 N ASP A 29 2.053 -4.068 -0.786 1.00 0.00 N ATOM 375 CA ASP A 29 3.016 -3.142 -0.214 1.00 0.00 C ATOM 376 C ASP A 29 2.272 -2.064 0.576 1.00 0.00 C ATOM 377 O ASP A 29 1.318 -1.470 0.076 1.00 0.00 O ATOM 378 CB ASP A 29 3.831 -2.449 -1.308 1.00 0.00 C ATOM 379 CG ASP A 29 4.324 -3.368 -2.427 1.00 0.00 C ATOM 380 OD1 ASP A 29 3.461 -3.829 -3.205 1.00 0.00 O ATOM 381 OD2 ASP A 29 5.553 -3.589 -2.479 1.00 0.00 O ATOM 0 H ASP A 29 1.970 -4.023 -1.802 1.00 0.00 H new ATOM 0 HA ASP A 29 3.687 -3.709 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.222 -1.659 -1.749 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.693 -1.967 -0.848 1.00 0.00 H new ATOM 386 N GLN A 30 2.736 -1.845 1.798 1.00 0.00 N ATOM 387 CA GLN A 30 2.126 -0.849 2.662 1.00 0.00 C ATOM 388 C GLN A 30 2.049 0.501 1.946 1.00 0.00 C ATOM 389 O GLN A 30 1.009 1.156 1.959 1.00 0.00 O ATOM 390 CB GLN A 30 2.891 -0.726 3.982 1.00 0.00 C ATOM 391 CG GLN A 30 2.130 0.153 4.977 1.00 0.00 C ATOM 392 CD GLN A 30 1.111 -0.670 5.768 1.00 0.00 C ATOM 393 OE1 GLN A 30 1.390 -1.192 6.835 1.00 0.00 O ATOM 394 NE2 GLN A 30 -0.082 -0.757 5.187 1.00 0.00 N ATOM 0 H GLN A 30 3.527 -2.340 2.210 1.00 0.00 H new ATOM 0 HA GLN A 30 1.112 -1.172 2.896 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.046 -1.716 4.410 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.878 -0.301 3.796 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.833 0.624 5.663 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.620 0.955 4.443 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.249 -0.296 4.293 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -0.830 -1.285 5.636 1.00 0.00 H new ATOM 403 N SER A 31 3.165 0.876 1.337 1.00 0.00 N ATOM 404 CA SER A 31 3.237 2.135 0.616 1.00 0.00 C ATOM 405 C SER A 31 2.143 2.191 -0.451 1.00 0.00 C ATOM 406 O SER A 31 1.584 3.254 -0.718 1.00 0.00 O ATOM 407 CB SER A 31 4.614 2.325 -0.024 1.00 0.00 C ATOM 408 OG SER A 31 5.534 1.313 0.377 1.00 0.00 O ATOM 0 H SER A 31 4.026 0.330 1.328 1.00 0.00 H new ATOM 0 HA SER A 31 3.082 2.946 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.514 2.314 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.009 3.303 0.250 1.00 0.00 H new ATOM 0 HG SER A 31 6.400 1.469 -0.054 1.00 0.00 H new ATOM 414 N SER A 32 1.869 1.032 -1.034 1.00 0.00 N ATOM 415 CA SER A 32 0.851 0.936 -2.066 1.00 0.00 C ATOM 416 C SER A 32 -0.533 1.177 -1.461 1.00 0.00 C ATOM 417 O SER A 32 -1.274 2.043 -1.923 1.00 0.00 O ATOM 418 CB SER A 32 0.897 -0.428 -2.759 1.00 0.00 C ATOM 419 OG SER A 32 2.152 -0.663 -3.392 1.00 0.00 O ATOM 0 H SER A 32 2.335 0.152 -0.811 1.00 0.00 H new ATOM 0 HA SER A 32 1.051 1.702 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.707 -1.213 -2.027 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.100 -0.485 -3.501 1.00 0.00 H new ATOM 0 HG SER A 32 2.142 -1.544 -3.821 1.00 0.00 H new ATOM 425 N VAL A 33 -0.840 0.396 -0.436 1.00 0.00 N ATOM 426 CA VAL A 33 -2.122 0.514 0.238 1.00 0.00 C ATOM 427 C VAL A 33 -2.431 1.993 0.481 1.00 0.00 C ATOM 428 O VAL A 33 -3.578 2.420 0.352 1.00 0.00 O ATOM 429 CB VAL A 33 -2.116 -0.314 1.524 1.00 0.00 C ATOM 430 CG1 VAL A 33 -3.410 -0.111 2.314 1.00 0.00 C ATOM 431 CG2 VAL A 33 -1.886 -1.796 1.221 1.00 0.00 C ATOM 0 H VAL A 33 -0.223 -0.321 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.920 0.113 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.288 0.034 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.379 -0.711 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.514 0.942 2.577 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.260 -0.419 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.886 -2.362 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.682 -2.163 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.925 -1.920 0.721 1.00 0.00 H new ATOM 441 N ASP A 34 -1.389 2.733 0.827 1.00 0.00 N ATOM 442 CA ASP A 34 -1.535 4.155 1.089 1.00 0.00 C ATOM 443 C ASP A 34 -1.640 4.906 -0.239 1.00 0.00 C ATOM 444 O ASP A 34 -2.443 5.828 -0.373 1.00 0.00 O ATOM 445 CB ASP A 34 -0.324 4.703 1.847 1.00 0.00 C ATOM 446 CG ASP A 34 -0.481 6.131 2.372 1.00 0.00 C ATOM 447 OD1 ASP A 34 -0.898 6.990 1.564 1.00 0.00 O ATOM 448 OD2 ASP A 34 -0.181 6.333 3.568 1.00 0.00 O ATOM 0 H ASP A 34 -0.440 2.375 0.932 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.432 4.296 1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.113 4.044 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.544 4.667 1.189 1.00 0.00 H new ATOM 453 N THR A 35 -0.818 4.483 -1.189 1.00 0.00 N ATOM 454 CA THR A 35 -0.809 5.103 -2.502 1.00 0.00 C ATOM 455 C THR A 35 -2.235 5.226 -3.044 1.00 0.00 C ATOM 456 O THR A 35 -2.534 6.138 -3.814 1.00 0.00 O ATOM 457 CB THR A 35 0.116 4.285 -3.405 1.00 0.00 C ATOM 458 OG1 THR A 35 1.408 4.461 -2.829 1.00 0.00 O ATOM 459 CG2 THR A 35 0.248 4.886 -4.806 1.00 0.00 C ATOM 0 H THR A 35 -0.153 3.718 -1.074 1.00 0.00 H new ATOM 0 HA THR A 35 -0.424 6.122 -2.456 1.00 0.00 H new ATOM 0 HB THR A 35 -0.261 3.265 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.616 3.697 -2.252 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.915 4.267 -5.406 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.733 4.926 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.656 5.894 -4.733 1.00 0.00 H new ATOM 467 N LEU A 36 -3.077 4.295 -2.621 1.00 0.00 N ATOM 468 CA LEU A 36 -4.463 4.287 -3.054 1.00 0.00 C ATOM 469 C LEU A 36 -5.307 5.095 -2.065 1.00 0.00 C ATOM 470 O LEU A 36 -6.355 5.626 -2.428 1.00 0.00 O ATOM 471 CB LEU A 36 -4.955 2.852 -3.251 1.00 0.00 C ATOM 472 CG LEU A 36 -4.537 2.173 -4.558 1.00 0.00 C ATOM 473 CD1 LEU A 36 -4.399 0.661 -4.371 1.00 0.00 C ATOM 474 CD2 LEU A 36 -5.503 2.525 -5.691 1.00 0.00 C ATOM 0 H LEU A 36 -2.825 3.540 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.560 4.770 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.594 2.248 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.044 2.851 -3.196 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.555 2.553 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.101 0.203 -5.314 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.643 0.456 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.355 0.245 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.184 2.030 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.507 2.192 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.507 3.604 -5.844 1.00 0.00 H new ATOM 486 N LEU A 37 -4.816 5.163 -0.836 1.00 0.00 N ATOM 487 CA LEU A 37 -5.512 5.898 0.207 1.00 0.00 C ATOM 488 C LEU A 37 -5.636 7.366 -0.206 1.00 0.00 C ATOM 489 O LEU A 37 -6.700 7.967 -0.061 1.00 0.00 O ATOM 490 CB LEU A 37 -4.820 5.695 1.557 1.00 0.00 C ATOM 491 CG LEU A 37 -5.127 4.380 2.276 1.00 0.00 C ATOM 492 CD1 LEU A 37 -4.121 4.122 3.399 1.00 0.00 C ATOM 493 CD2 LEU A 37 -6.570 4.357 2.784 1.00 0.00 C ATOM 0 H LEU A 37 -3.946 4.722 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.525 5.515 0.333 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.743 5.760 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.099 6.519 2.214 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.025 3.566 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.362 3.181 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.116 4.065 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.168 4.935 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.762 3.411 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.723 5.181 3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.254 4.463 1.942 1.00 0.00 H new ATOM 505 N SER A 38 -4.535 7.901 -0.712 1.00 0.00 N ATOM 506 CA SER A 38 -4.508 9.287 -1.146 1.00 0.00 C ATOM 507 C SER A 38 -5.420 9.473 -2.361 1.00 0.00 C ATOM 508 O SER A 38 -6.213 10.412 -2.408 1.00 0.00 O ATOM 509 CB SER A 38 -3.082 9.732 -1.480 1.00 0.00 C ATOM 510 OG SER A 38 -2.817 11.057 -1.028 1.00 0.00 O ATOM 0 H SER A 38 -3.655 7.399 -0.831 1.00 0.00 H new ATOM 0 HA SER A 38 -4.872 9.909 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.371 9.044 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.929 9.679 -2.558 1.00 0.00 H new ATOM 0 HG SER A 38 -1.897 11.303 -1.258 1.00 0.00 H new ATOM 516 N PHE A 39 -5.277 8.563 -3.313 1.00 0.00 N ATOM 517 CA PHE A 39 -6.078 8.615 -4.524 1.00 0.00 C ATOM 518 C PHE A 39 -7.543 8.912 -4.200 1.00 0.00 C ATOM 519 O PHE A 39 -8.145 9.805 -4.794 1.00 0.00 O ATOM 520 CB PHE A 39 -5.983 7.237 -5.182 1.00 0.00 C ATOM 521 CG PHE A 39 -4.808 7.089 -6.151 1.00 0.00 C ATOM 522 CD1 PHE A 39 -3.570 7.520 -5.789 1.00 0.00 C ATOM 523 CD2 PHE A 39 -5.002 6.527 -7.374 1.00 0.00 C ATOM 524 CE1 PHE A 39 -2.480 7.383 -6.688 1.00 0.00 C ATOM 525 CE2 PHE A 39 -3.912 6.390 -8.273 1.00 0.00 C ATOM 526 CZ PHE A 39 -2.674 6.821 -7.911 1.00 0.00 C ATOM 0 H PHE A 39 -4.618 7.785 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.711 9.405 -5.179 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.896 6.479 -4.403 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.910 7.037 -5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.416 7.966 -4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.985 6.185 -7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.497 7.725 -6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.066 5.944 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.845 6.717 -8.595 1.00 0.00 H new ATOM 536 N GLY A 40 -8.075 8.147 -3.258 1.00 0.00 N ATOM 537 CA GLY A 40 -9.458 8.318 -2.847 1.00 0.00 C ATOM 538 C GLY A 40 -10.155 6.965 -2.693 1.00 0.00 C ATOM 539 O GLY A 40 -11.152 6.696 -3.362 1.00 0.00 O ATOM 0 H GLY A 40 -7.573 7.407 -2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.496 8.860 -1.902 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.988 8.922 -3.583 1.00 0.00 H new ATOM 543 N PHE A 41 -9.604 6.149 -1.807 1.00 0.00 N ATOM 544 CA PHE A 41 -10.160 4.830 -1.556 1.00 0.00 C ATOM 545 C PHE A 41 -9.968 4.423 -0.094 1.00 0.00 C ATOM 546 O PHE A 41 -9.219 5.065 0.640 1.00 0.00 O ATOM 547 CB PHE A 41 -9.402 3.847 -2.450 1.00 0.00 C ATOM 548 CG PHE A 41 -9.332 4.269 -3.919 1.00 0.00 C ATOM 549 CD1 PHE A 41 -10.478 4.465 -4.625 1.00 0.00 C ATOM 550 CD2 PHE A 41 -8.125 4.447 -4.519 1.00 0.00 C ATOM 551 CE1 PHE A 41 -10.414 4.856 -5.989 1.00 0.00 C ATOM 552 CE2 PHE A 41 -8.060 4.838 -5.883 1.00 0.00 C ATOM 553 CZ PHE A 41 -9.206 5.035 -6.589 1.00 0.00 C ATOM 0 H PHE A 41 -8.778 6.376 -1.254 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.229 4.831 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -8.388 3.731 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.881 2.870 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -11.437 4.323 -4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.215 4.291 -3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -11.324 5.011 -6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -7.101 4.979 -6.359 1.00 0.00 H new ATOM 0 HZ PHE A 41 -9.157 5.333 -7.626 1.00 0.00 H new ATOM 563 N ALA A 42 -10.659 3.358 0.286 1.00 0.00 N ATOM 564 CA ALA A 42 -10.574 2.857 1.648 1.00 0.00 C ATOM 565 C ALA A 42 -9.284 2.050 1.810 1.00 0.00 C ATOM 566 O ALA A 42 -8.692 1.615 0.824 1.00 0.00 O ATOM 567 CB ALA A 42 -11.822 2.033 1.968 1.00 0.00 C ATOM 0 H ALA A 42 -11.280 2.828 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.538 3.682 2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.758 1.657 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.708 2.660 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.891 1.193 1.276 1.00 0.00 H new ATOM 573 N GLU A 43 -8.888 1.873 3.062 1.00 0.00 N ATOM 574 CA GLU A 43 -7.680 1.125 3.366 1.00 0.00 C ATOM 575 C GLU A 43 -7.869 -0.352 3.017 1.00 0.00 C ATOM 576 O GLU A 43 -6.914 -1.032 2.643 1.00 0.00 O ATOM 577 CB GLU A 43 -7.285 1.296 4.834 1.00 0.00 C ATOM 578 CG GLU A 43 -5.773 1.145 5.016 1.00 0.00 C ATOM 579 CD GLU A 43 -5.451 0.121 6.107 1.00 0.00 C ATOM 580 OE1 GLU A 43 -6.172 -0.899 6.157 1.00 0.00 O ATOM 581 OE2 GLU A 43 -4.492 0.381 6.864 1.00 0.00 O ATOM 0 H GLU A 43 -9.382 2.235 3.878 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.867 1.521 2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.601 2.277 5.187 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.804 0.555 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.319 0.834 4.075 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.337 2.109 5.277 1.00 0.00 H new ATOM 588 N ASP A 44 -9.106 -0.806 3.153 1.00 0.00 N ATOM 589 CA ASP A 44 -9.432 -2.191 2.856 1.00 0.00 C ATOM 590 C ASP A 44 -9.452 -2.392 1.340 1.00 0.00 C ATOM 591 O ASP A 44 -8.771 -3.274 0.818 1.00 0.00 O ATOM 592 CB ASP A 44 -10.813 -2.560 3.401 1.00 0.00 C ATOM 593 CG ASP A 44 -11.127 -2.012 4.794 1.00 0.00 C ATOM 594 OD1 ASP A 44 -10.455 -2.464 5.746 1.00 0.00 O ATOM 595 OD2 ASP A 44 -12.032 -1.153 4.875 1.00 0.00 O ATOM 0 H ASP A 44 -9.895 -0.240 3.465 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.678 -2.823 3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.570 -2.197 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.898 -3.646 3.427 1.00 0.00 H new ATOM 600 N VAL A 45 -10.240 -1.560 0.675 1.00 0.00 N ATOM 601 CA VAL A 45 -10.357 -1.636 -0.772 1.00 0.00 C ATOM 602 C VAL A 45 -8.976 -1.449 -1.402 1.00 0.00 C ATOM 603 O VAL A 45 -8.664 -2.068 -2.418 1.00 0.00 O ATOM 604 CB VAL A 45 -11.384 -0.615 -1.267 1.00 0.00 C ATOM 605 CG1 VAL A 45 -11.143 -0.265 -2.737 1.00 0.00 C ATOM 606 CG2 VAL A 45 -12.811 -1.123 -1.051 1.00 0.00 C ATOM 0 H VAL A 45 -10.804 -0.830 1.111 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.721 -2.618 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.261 0.296 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.886 0.462 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.145 0.159 -2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.226 -1.167 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.521 -0.378 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.953 -2.054 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.978 -1.299 0.012 1.00 0.00 H new ATOM 616 N ALA A 46 -8.184 -0.593 -0.772 1.00 0.00 N ATOM 617 CA ALA A 46 -6.843 -0.317 -1.259 1.00 0.00 C ATOM 618 C ALA A 46 -6.040 -1.619 -1.293 1.00 0.00 C ATOM 619 O ALA A 46 -5.197 -1.809 -2.169 1.00 0.00 O ATOM 620 CB ALA A 46 -6.189 0.748 -0.377 1.00 0.00 C ATOM 0 H ALA A 46 -8.445 -0.082 0.071 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.877 0.077 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.183 0.955 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.782 1.662 -0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.135 0.387 0.650 1.00 0.00 H new ATOM 626 N ARG A 47 -6.330 -2.481 -0.330 1.00 0.00 N ATOM 627 CA ARG A 47 -5.645 -3.760 -0.239 1.00 0.00 C ATOM 628 C ARG A 47 -6.338 -4.797 -1.124 1.00 0.00 C ATOM 629 O ARG A 47 -5.681 -5.650 -1.719 1.00 0.00 O ATOM 630 CB ARG A 47 -5.616 -4.268 1.204 1.00 0.00 C ATOM 631 CG ARG A 47 -4.308 -3.878 1.896 1.00 0.00 C ATOM 632 CD ARG A 47 -4.470 -3.882 3.417 1.00 0.00 C ATOM 633 NE ARG A 47 -3.187 -4.238 4.062 1.00 0.00 N ATOM 634 CZ ARG A 47 -2.671 -5.474 4.077 1.00 0.00 C ATOM 635 NH1 ARG A 47 -3.325 -6.481 3.482 1.00 0.00 N ATOM 636 NH2 ARG A 47 -1.500 -5.705 4.686 1.00 0.00 N ATOM 0 H ARG A 47 -7.030 -2.319 0.394 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.620 -3.613 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.461 -3.855 1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.728 -5.352 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.519 -4.573 1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.997 -2.888 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.798 -2.900 3.759 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.242 -4.595 3.707 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.662 -3.495 4.524 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.216 -6.306 3.017 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.932 -7.422 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.001 -4.939 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.108 -6.647 4.697 1.00 0.00 H new ATOM 650 N LYS A 48 -7.658 -4.691 -1.183 1.00 0.00 N ATOM 651 CA LYS A 48 -8.448 -5.610 -1.985 1.00 0.00 C ATOM 652 C LYS A 48 -8.045 -5.473 -3.454 1.00 0.00 C ATOM 653 O LYS A 48 -7.853 -6.473 -4.145 1.00 0.00 O ATOM 654 CB LYS A 48 -9.941 -5.393 -1.734 1.00 0.00 C ATOM 655 CG LYS A 48 -10.303 -5.701 -0.279 1.00 0.00 C ATOM 656 CD LYS A 48 -11.685 -6.350 -0.184 1.00 0.00 C ATOM 657 CE LYS A 48 -12.775 -5.294 0.012 1.00 0.00 C ATOM 658 NZ LYS A 48 -13.295 -5.338 1.397 1.00 0.00 N ATOM 0 H LYS A 48 -8.200 -3.983 -0.688 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.246 -6.641 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.207 -4.362 -1.968 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.522 -6.031 -2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.555 -6.366 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.288 -4.781 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.886 -6.921 -1.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.703 -7.055 0.647 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.373 -4.304 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.588 -5.466 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.034 -4.615 1.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.697 -6.278 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.520 -5.152 2.065 1.00 0.00 H new ATOM 672 N ALA A 49 -7.928 -4.227 -3.889 1.00 0.00 N ATOM 673 CA ALA A 49 -7.552 -3.946 -5.264 1.00 0.00 C ATOM 674 C ALA A 49 -6.122 -4.434 -5.507 1.00 0.00 C ATOM 675 O ALA A 49 -5.828 -5.012 -6.551 1.00 0.00 O ATOM 676 CB ALA A 49 -7.713 -2.450 -5.543 1.00 0.00 C ATOM 0 H ALA A 49 -8.087 -3.400 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.204 -4.478 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.431 -2.240 -6.575 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.752 -2.160 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.071 -1.883 -4.869 1.00 0.00 H new ATOM 682 N LEU A 50 -5.270 -4.181 -4.523 1.00 0.00 N ATOM 683 CA LEU A 50 -3.878 -4.587 -4.617 1.00 0.00 C ATOM 684 C LEU A 50 -3.775 -6.096 -4.385 1.00 0.00 C ATOM 685 O LEU A 50 -2.709 -6.684 -4.564 1.00 0.00 O ATOM 686 CB LEU A 50 -3.013 -3.758 -3.666 1.00 0.00 C ATOM 687 CG LEU A 50 -3.058 -2.242 -3.868 1.00 0.00 C ATOM 688 CD1 LEU A 50 -2.623 -1.507 -2.599 1.00 0.00 C ATOM 689 CD2 LEU A 50 -2.229 -1.826 -5.084 1.00 0.00 C ATOM 0 H LEU A 50 -5.517 -3.700 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.490 -4.390 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.319 -3.978 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.979 -4.088 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.090 -1.955 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.664 -0.431 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.291 -1.770 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.603 -1.795 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.278 -0.744 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.192 -2.128 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.625 -2.309 -5.977 1.00 0.00 H new ATOM 701 N LYS A 51 -4.896 -6.680 -3.989 1.00 0.00 N ATOM 702 CA LYS A 51 -4.945 -8.109 -3.730 1.00 0.00 C ATOM 703 C LYS A 51 -5.204 -8.852 -5.042 1.00 0.00 C ATOM 704 O LYS A 51 -4.603 -9.894 -5.298 1.00 0.00 O ATOM 705 CB LYS A 51 -5.967 -8.420 -2.635 1.00 0.00 C ATOM 706 CG LYS A 51 -6.550 -9.824 -2.812 1.00 0.00 C ATOM 707 CD LYS A 51 -7.035 -10.389 -1.476 1.00 0.00 C ATOM 708 CE LYS A 51 -5.866 -10.946 -0.660 1.00 0.00 C ATOM 709 NZ LYS A 51 -6.216 -10.999 0.777 1.00 0.00 N ATOM 0 H LYS A 51 -5.778 -6.189 -3.841 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.986 -8.460 -3.348 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.493 -8.340 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.770 -7.683 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.379 -9.791 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.794 -10.484 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.540 -9.607 -0.908 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.767 -11.177 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.610 -11.944 -1.015 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.985 -10.321 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.412 -11.379 1.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.438 -10.041 1.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.044 -11.614 0.910 1.00 0.00 H new ATOM 723 N ALA A 52 -6.099 -8.286 -5.839 1.00 0.00 N ATOM 724 CA ALA A 52 -6.444 -8.882 -7.118 1.00 0.00 C ATOM 725 C ALA A 52 -5.451 -8.409 -8.181 1.00 0.00 C ATOM 726 O ALA A 52 -5.046 -9.185 -9.046 1.00 0.00 O ATOM 727 CB ALA A 52 -7.890 -8.527 -7.473 1.00 0.00 C ATOM 0 H ALA A 52 -6.595 -7.421 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.378 -9.969 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.149 -8.974 -8.433 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.558 -8.910 -6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -7.993 -7.444 -7.538 1.00 0.00 H new ATOM 733 N SER A 53 -5.086 -7.139 -8.082 1.00 0.00 N ATOM 734 CA SER A 53 -4.147 -6.554 -9.024 1.00 0.00 C ATOM 735 C SER A 53 -2.721 -6.986 -8.678 1.00 0.00 C ATOM 736 O SER A 53 -2.004 -7.513 -9.527 1.00 0.00 O ATOM 737 CB SER A 53 -4.252 -5.028 -9.030 1.00 0.00 C ATOM 738 OG SER A 53 -3.782 -4.455 -7.813 1.00 0.00 O ATOM 0 H SER A 53 -5.424 -6.499 -7.364 1.00 0.00 H new ATOM 0 HA SER A 53 -4.396 -6.913 -10.023 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.676 -4.628 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.290 -4.737 -9.190 1.00 0.00 H new ATOM 0 HG SER A 53 -4.538 -4.311 -7.206 1.00 0.00 H new ATOM 744 N GLY A 54 -2.351 -6.747 -7.428 1.00 0.00 N ATOM 745 CA GLY A 54 -1.023 -7.105 -6.959 1.00 0.00 C ATOM 746 C GLY A 54 -0.036 -5.957 -7.179 1.00 0.00 C ATOM 747 O GLY A 54 0.597 -5.871 -8.231 1.00 0.00 O ATOM 0 H GLY A 54 -2.948 -6.310 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.063 -7.357 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.675 -7.994 -7.485 1.00 0.00 H new ATOM 751 N GLY A 55 0.065 -5.104 -6.171 1.00 0.00 N ATOM 752 CA GLY A 55 0.964 -3.965 -6.241 1.00 0.00 C ATOM 753 C GLY A 55 0.472 -2.940 -7.265 1.00 0.00 C ATOM 754 O GLY A 55 0.219 -1.786 -6.922 1.00 0.00 O ATOM 0 H GLY A 55 -0.461 -5.179 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.040 -3.496 -5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.964 -4.303 -6.511 1.00 0.00 H new ATOM 758 N ASP A 56 0.351 -3.398 -8.502 1.00 0.00 N ATOM 759 CA ASP A 56 -0.106 -2.536 -9.578 1.00 0.00 C ATOM 760 C ASP A 56 -1.239 -1.644 -9.065 1.00 0.00 C ATOM 761 O ASP A 56 -2.298 -2.139 -8.683 1.00 0.00 O ATOM 762 CB ASP A 56 -0.645 -3.357 -10.751 1.00 0.00 C ATOM 763 CG ASP A 56 0.404 -4.181 -11.501 1.00 0.00 C ATOM 764 OD1 ASP A 56 1.586 -4.088 -11.106 1.00 0.00 O ATOM 765 OD2 ASP A 56 0.000 -4.884 -12.452 1.00 0.00 O ATOM 0 H ASP A 56 0.562 -4.356 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 56 0.742 -1.940 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.416 -4.031 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.127 -2.681 -11.457 1.00 0.00 H new ATOM 770 N ILE A 57 -0.976 -0.345 -9.074 1.00 0.00 N ATOM 771 CA ILE A 57 -1.960 0.620 -8.614 1.00 0.00 C ATOM 772 C ILE A 57 -2.986 0.863 -9.723 1.00 0.00 C ATOM 773 O ILE A 57 -4.191 0.776 -9.489 1.00 0.00 O ATOM 774 CB ILE A 57 -1.272 1.895 -8.123 1.00 0.00 C ATOM 775 CG1 ILE A 57 -0.361 1.601 -6.929 1.00 0.00 C ATOM 776 CG2 ILE A 57 -2.297 2.985 -7.808 1.00 0.00 C ATOM 777 CD1 ILE A 57 -1.183 1.325 -5.668 1.00 0.00 C ATOM 0 H ILE A 57 -0.096 0.061 -9.392 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.505 0.229 -7.755 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.639 2.272 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.270 0.741 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.303 2.448 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.781 3.880 -7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.866 3.220 -8.707 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.975 2.633 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.512 1.119 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.795 2.196 -5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.828 0.463 -5.836 1.00 0.00 H new ATOM 789 N GLU A 58 -2.472 1.163 -10.906 1.00 0.00 N ATOM 790 CA GLU A 58 -3.328 1.419 -12.052 1.00 0.00 C ATOM 791 C GLU A 58 -4.378 0.315 -12.187 1.00 0.00 C ATOM 792 O GLU A 58 -5.520 0.581 -12.561 1.00 0.00 O ATOM 793 CB GLU A 58 -2.504 1.552 -13.334 1.00 0.00 C ATOM 794 CG GLU A 58 -1.916 2.959 -13.464 1.00 0.00 C ATOM 795 CD GLU A 58 -2.198 3.544 -14.850 1.00 0.00 C ATOM 796 OE1 GLU A 58 -2.406 2.733 -15.777 1.00 0.00 O ATOM 797 OE2 GLU A 58 -2.200 4.790 -14.950 1.00 0.00 O ATOM 0 H GLU A 58 -1.472 1.235 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.843 2.366 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.700 0.817 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.132 1.335 -14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.342 3.607 -12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.840 2.925 -13.291 1.00 0.00 H new ATOM 804 N LYS A 59 -3.955 -0.902 -11.875 1.00 0.00 N ATOM 805 CA LYS A 59 -4.845 -2.047 -11.958 1.00 0.00 C ATOM 806 C LYS A 59 -5.763 -2.064 -10.734 1.00 0.00 C ATOM 807 O LYS A 59 -6.920 -2.471 -10.826 1.00 0.00 O ATOM 808 CB LYS A 59 -4.042 -3.337 -12.141 1.00 0.00 C ATOM 809 CG LYS A 59 -3.563 -3.484 -13.587 1.00 0.00 C ATOM 810 CD LYS A 59 -3.941 -4.854 -14.154 1.00 0.00 C ATOM 811 CE LYS A 59 -2.889 -5.344 -15.151 1.00 0.00 C ATOM 812 NZ LYS A 59 -3.406 -6.493 -15.927 1.00 0.00 N ATOM 0 H LYS A 59 -3.008 -1.119 -11.565 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.485 -1.969 -12.837 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.184 -3.334 -11.468 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.658 -4.194 -11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.003 -2.698 -14.201 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.482 -3.354 -13.630 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.040 -5.573 -13.341 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.912 -4.793 -14.645 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.616 -4.534 -15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.983 -5.635 -14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.680 -6.813 -16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.645 -7.270 -15.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.258 -6.204 -16.450 1.00 0.00 H new ATOM 826 N ALA A 60 -5.212 -1.616 -9.615 1.00 0.00 N ATOM 827 CA ALA A 60 -5.967 -1.574 -8.374 1.00 0.00 C ATOM 828 C ALA A 60 -7.069 -0.518 -8.488 1.00 0.00 C ATOM 829 O ALA A 60 -8.199 -0.746 -8.058 1.00 0.00 O ATOM 830 CB ALA A 60 -5.016 -1.300 -7.207 1.00 0.00 C ATOM 0 H ALA A 60 -4.252 -1.279 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 60 -6.448 -2.534 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.582 -1.268 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.270 -2.093 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.517 -0.343 -7.361 1.00 0.00 H new ATOM 836 N THR A 61 -6.702 0.614 -9.070 1.00 0.00 N ATOM 837 CA THR A 61 -7.645 1.705 -9.246 1.00 0.00 C ATOM 838 C THR A 61 -8.834 1.251 -10.096 1.00 0.00 C ATOM 839 O THR A 61 -9.921 1.817 -10.001 1.00 0.00 O ATOM 840 CB THR A 61 -6.889 2.893 -9.844 1.00 0.00 C ATOM 841 OG1 THR A 61 -5.858 3.161 -8.897 1.00 0.00 O ATOM 842 CG2 THR A 61 -7.725 4.174 -9.857 1.00 0.00 C ATOM 0 H THR A 61 -5.764 0.799 -9.426 1.00 0.00 H new ATOM 0 HA THR A 61 -8.069 2.018 -8.292 1.00 0.00 H new ATOM 0 HB THR A 61 -6.581 2.651 -10.861 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.109 2.548 -9.047 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.141 4.985 -10.291 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.624 4.015 -10.452 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.006 4.435 -8.837 1.00 0.00 H new ATOM 850 N ASP A 62 -8.585 0.233 -10.907 1.00 0.00 N ATOM 851 CA ASP A 62 -9.621 -0.304 -11.773 1.00 0.00 C ATOM 852 C ASP A 62 -10.446 -1.332 -10.997 1.00 0.00 C ATOM 853 O ASP A 62 -11.674 -1.267 -10.985 1.00 0.00 O ATOM 854 CB ASP A 62 -9.013 -1.005 -12.989 1.00 0.00 C ATOM 855 CG ASP A 62 -10.006 -1.346 -14.102 1.00 0.00 C ATOM 856 OD1 ASP A 62 -10.583 -0.388 -14.661 1.00 0.00 O ATOM 857 OD2 ASP A 62 -10.166 -2.557 -14.369 1.00 0.00 O ATOM 0 H ASP A 62 -7.681 -0.234 -10.983 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.243 0.525 -12.109 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.231 -0.369 -13.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.533 -1.925 -12.657 1.00 0.00 H new ATOM 862 N TRP A 63 -9.738 -2.258 -10.367 1.00 0.00 N ATOM 863 CA TRP A 63 -10.390 -3.299 -9.591 1.00 0.00 C ATOM 864 C TRP A 63 -11.459 -2.639 -8.718 1.00 0.00 C ATOM 865 O TRP A 63 -12.565 -3.160 -8.584 1.00 0.00 O ATOM 866 CB TRP A 63 -9.368 -4.100 -8.781 1.00 0.00 C ATOM 867 CG TRP A 63 -9.968 -5.280 -8.014 1.00 0.00 C ATOM 868 CD1 TRP A 63 -10.028 -6.564 -8.391 1.00 0.00 C ATOM 869 CD2 TRP A 63 -10.596 -5.231 -6.716 1.00 0.00 C ATOM 870 NE1 TRP A 63 -10.645 -7.344 -7.434 1.00 0.00 N ATOM 871 CE2 TRP A 63 -11.002 -6.507 -6.383 1.00 0.00 C ATOM 872 CE3 TRP A 63 -10.814 -4.144 -5.850 1.00 0.00 C ATOM 873 CZ2 TRP A 63 -11.650 -6.817 -5.181 1.00 0.00 C ATOM 874 CZ3 TRP A 63 -11.464 -4.471 -4.654 1.00 0.00 C ATOM 875 CH2 TRP A 63 -11.878 -5.750 -4.304 1.00 0.00 C ATOM 0 H TRP A 63 -8.719 -2.309 -10.378 1.00 0.00 H new ATOM 0 HA TRP A 63 -10.874 -4.023 -10.247 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.597 -4.473 -9.455 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.877 -3.432 -8.073 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -9.642 -6.941 -9.326 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -10.809 -8.349 -7.488 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -10.505 -3.137 -6.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -11.957 -7.825 -4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -11.657 -3.672 -3.954 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -12.373 -5.920 -3.360 1.00 0.00 H new ATOM 886 N VAL A 64 -11.092 -1.501 -8.148 1.00 0.00 N ATOM 887 CA VAL A 64 -12.006 -0.764 -7.292 1.00 0.00 C ATOM 888 C VAL A 64 -13.333 -0.562 -8.025 1.00 0.00 C ATOM 889 O VAL A 64 -14.394 -0.901 -7.502 1.00 0.00 O ATOM 890 CB VAL A 64 -11.362 0.551 -6.848 1.00 0.00 C ATOM 891 CG1 VAL A 64 -12.348 1.401 -6.045 1.00 0.00 C ATOM 892 CG2 VAL A 64 -10.083 0.294 -6.049 1.00 0.00 C ATOM 0 H VAL A 64 -10.174 -1.071 -8.262 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.219 -1.329 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.090 1.109 -7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.865 2.330 -5.742 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.218 1.629 -6.661 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.665 0.851 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.646 1.245 -5.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.320 -0.295 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.371 -0.252 -6.668 1.00 0.00 H new ATOM 902 N PHE A 65 -13.232 -0.010 -9.225 1.00 0.00 N ATOM 903 CA PHE A 65 -14.412 0.241 -10.036 1.00 0.00 C ATOM 904 C PHE A 65 -14.880 -1.038 -10.733 1.00 0.00 C ATOM 905 O PHE A 65 -15.979 -1.082 -11.284 1.00 0.00 O ATOM 906 CB PHE A 65 -14.015 1.270 -11.096 1.00 0.00 C ATOM 907 CG PHE A 65 -13.105 2.383 -10.573 1.00 0.00 C ATOM 908 CD1 PHE A 65 -13.344 2.941 -9.356 1.00 0.00 C ATOM 909 CD2 PHE A 65 -12.058 2.815 -11.326 1.00 0.00 C ATOM 910 CE1 PHE A 65 -12.500 3.975 -8.871 1.00 0.00 C ATOM 911 CE2 PHE A 65 -11.214 3.849 -10.841 1.00 0.00 C ATOM 912 CZ PHE A 65 -11.453 4.407 -9.624 1.00 0.00 C ATOM 0 H PHE A 65 -12.351 0.271 -9.656 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.227 0.599 -9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -13.510 0.757 -11.915 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.919 1.718 -11.509 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -14.176 2.598 -8.758 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.869 2.372 -12.292 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -12.689 4.418 -7.905 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.382 4.192 -11.439 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.811 5.193 -9.255 1.00 0.00 H new ATOM 922 N ASN A 66 -14.023 -2.047 -10.686 1.00 0.00 N ATOM 923 CA ASN A 66 -14.336 -3.324 -11.306 1.00 0.00 C ATOM 924 C ASN A 66 -14.650 -4.351 -10.218 1.00 0.00 C ATOM 925 O ASN A 66 -14.763 -4.002 -9.043 1.00 0.00 O ATOM 926 CB ASN A 66 -13.150 -3.845 -12.121 1.00 0.00 C ATOM 927 CG ASN A 66 -13.326 -3.532 -13.608 1.00 0.00 C ATOM 928 OD1 ASN A 66 -13.745 -4.361 -14.398 1.00 0.00 O ATOM 929 ND2 ASN A 66 -12.982 -2.291 -13.943 1.00 0.00 N ATOM 0 H ASN A 66 -13.112 -2.007 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.191 -3.178 -11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.228 -3.392 -11.757 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -13.053 -4.922 -11.981 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.062 -1.984 -14.912 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -12.638 -1.647 -13.231 1.00 0.00 H new ATOM 936 N ASN A 67 -14.784 -5.598 -10.646 1.00 0.00 N ATOM 937 CA ASN A 67 -15.083 -6.679 -9.722 1.00 0.00 C ATOM 938 C ASN A 67 -16.333 -6.322 -8.915 1.00 0.00 C ATOM 939 O ASN A 67 -16.237 -5.705 -7.855 1.00 0.00 O ATOM 940 CB ASN A 67 -13.932 -6.898 -8.739 1.00 0.00 C ATOM 941 CG ASN A 67 -13.249 -8.245 -8.986 1.00 0.00 C ATOM 942 OD1 ASN A 67 -13.444 -9.210 -8.266 1.00 0.00 O ATOM 943 ND2 ASN A 67 -12.439 -8.255 -10.041 1.00 0.00 N ATOM 0 H ASN A 67 -14.691 -5.884 -11.621 1.00 0.00 H new ATOM 0 HA ASN A 67 -15.237 -7.588 -10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.204 -6.093 -8.841 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.309 -6.859 -7.717 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.936 -9.107 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.321 -7.411 -10.602 1.00 0.00 H new ATOM 950 N SER A 68 -17.477 -6.727 -9.447 1.00 0.00 N ATOM 951 CA SER A 68 -18.745 -6.457 -8.789 1.00 0.00 C ATOM 952 C SER A 68 -19.791 -7.484 -9.228 1.00 0.00 C ATOM 953 O SER A 68 -19.928 -7.766 -10.417 1.00 0.00 O ATOM 954 CB SER A 68 -19.233 -5.040 -9.093 1.00 0.00 C ATOM 955 OG SER A 68 -18.628 -4.072 -8.240 1.00 0.00 O ATOM 0 H SER A 68 -17.553 -7.240 -10.326 1.00 0.00 H new ATOM 0 HA SER A 68 -18.595 -6.537 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 68 -19.012 -4.796 -10.132 1.00 0.00 H new ATOM 0 HB3 SER A 68 -20.316 -4.997 -8.979 1.00 0.00 H new ATOM 0 HG SER A 68 -17.780 -4.423 -7.896 1.00 0.00 H new ATOM 961 N GLY A 69 -20.501 -8.016 -8.244 1.00 0.00 N ATOM 962 CA GLY A 69 -21.530 -9.005 -8.513 1.00 0.00 C ATOM 963 C GLY A 69 -22.916 -8.357 -8.558 1.00 0.00 C ATOM 964 O GLY A 69 -23.036 -7.156 -8.791 1.00 0.00 O ATOM 0 H GLY A 69 -20.384 -7.780 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -21.325 -9.499 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -21.510 -9.775 -7.742 1.00 0.00 H new ATOM 968 N PRO A 70 -23.954 -9.204 -8.325 1.00 0.00 N ATOM 969 CA PRO A 70 -25.326 -8.727 -8.336 1.00 0.00 C ATOM 970 C PRO A 70 -25.641 -7.935 -7.065 1.00 0.00 C ATOM 971 O PRO A 70 -25.571 -8.472 -5.961 1.00 0.00 O ATOM 972 CB PRO A 70 -26.177 -9.978 -8.482 1.00 0.00 C ATOM 973 CG PRO A 70 -25.282 -11.140 -8.082 1.00 0.00 C ATOM 974 CD PRO A 70 -23.849 -10.634 -8.045 1.00 0.00 C ATOM 0 HA PRO A 70 -25.522 -8.031 -9.151 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -27.059 -9.927 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -26.531 -10.092 -9.507 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -25.575 -11.529 -7.107 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -25.379 -11.959 -8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -23.390 -10.815 -7.073 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -23.231 -11.139 -8.788 1.00 0.00 H new ATOM 982 N SER A 71 -25.982 -6.670 -7.264 1.00 0.00 N ATOM 983 CA SER A 71 -26.309 -5.799 -6.148 1.00 0.00 C ATOM 984 C SER A 71 -25.054 -5.517 -5.320 1.00 0.00 C ATOM 985 O SER A 71 -24.157 -6.356 -5.240 1.00 0.00 O ATOM 986 CB SER A 71 -27.398 -6.415 -5.268 1.00 0.00 C ATOM 987 OG SER A 71 -27.898 -5.488 -4.309 1.00 0.00 O ATOM 0 H SER A 71 -26.039 -6.228 -8.181 1.00 0.00 H new ATOM 0 HA SER A 71 -26.692 -4.860 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 71 -28.218 -6.764 -5.896 1.00 0.00 H new ATOM 0 HB3 SER A 71 -26.997 -7.288 -4.753 1.00 0.00 H new ATOM 0 HG SER A 71 -28.592 -5.919 -3.768 1.00 0.00 H new ATOM 993 N SER A 72 -25.030 -4.334 -4.723 1.00 0.00 N ATOM 994 CA SER A 72 -23.900 -3.932 -3.904 1.00 0.00 C ATOM 995 C SER A 72 -24.396 -3.272 -2.616 1.00 0.00 C ATOM 996 O SER A 72 -24.988 -2.195 -2.654 1.00 0.00 O ATOM 997 CB SER A 72 -22.977 -2.979 -4.667 1.00 0.00 C ATOM 998 OG SER A 72 -21.616 -3.395 -4.611 1.00 0.00 O ATOM 0 H SER A 72 -25.776 -3.641 -4.791 1.00 0.00 H new ATOM 0 HA SER A 72 -23.327 -4.824 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 72 -23.296 -2.921 -5.708 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.067 -1.976 -4.250 1.00 0.00 H new ATOM 0 HG SER A 72 -21.060 -2.762 -5.111 1.00 0.00 H new ATOM 1004 N GLY A 73 -24.136 -3.946 -1.505 1.00 0.00 N ATOM 1005 CA GLY A 73 -24.549 -3.438 -0.208 1.00 0.00 C ATOM 1006 C GLY A 73 -24.439 -4.523 0.865 1.00 0.00 C ATOM 1007 O GLY A 73 -24.709 -5.694 0.600 1.00 0.00 O ATOM 0 H GLY A 73 -23.645 -4.839 -1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -23.929 -2.585 0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -25.577 -3.080 -0.264 1.00 0.00 H new TER 1011 GLY A 73