USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 668 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 89 THR OG1 : rot 71:sc= 1.02 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -0.85 K(o=0.17,f=-8.9!) USER MOD Set 2.1: A 61 GLN : amide:sc= -1.88 K(o=-3,f=-9.1!) USER MOD Set 2.2: A 69 MET CE :methyl 174:sc= -1.09 (180deg=-0.215) USER MOD Set 3.1: A 50 LYS NZ :NH3+ -129:sc= 1.14 (180deg=0.786) USER MOD Set 3.2: A 73 TYR OH : rot -2:sc= 1.47 USER MOD Set 4.1: A 23 TYR OH : rot 168:sc= -0.0154 USER MOD Set 4.2: A 78 HIS : no HD1:sc= 0.257 K(o=0.24,f=-4.6!) USER MOD Set 5.1: A 1 ALA N :NH3+ -116:sc= 0.604! (180deg=-2.84!) USER MOD Set 5.2: A 3 TYR OH : rot 180:sc= 0.597 USER MOD Single : A 2 THR OG1 : rot -65:sc= 1.36 USER MOD Single : A 4 ASN : amide:sc= 0.136 X(o=0.14,f=-0.073) USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.09) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -61:sc= -2.45 USER MOD Single : A 27 GLN : amide:sc= 0.841 K(o=0.84,f=-9.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 28:sc= 0.743 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.277 USER MOD Single : A 55 SER OG : rot -12:sc= 0.273 USER MOD Single : A 58 GLN : amide:sc= -0.48 K(o=-0.48,f=-5.5!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 17:sc= 1.09 USER MOD Single : A 68 GLN : amide:sc= 0.0666 K(o=0.067,f=-6!) USER MOD Single : A 76 THR OG1 : rot 140:sc= -0.554 USER MOD Single : A 80 TYR OH : rot 85:sc= 0.111 USER MOD Single : A 82 THR OG1 : rot -25:sc= 0.66 USER MOD Single : A 83 SER OG : rot 13:sc= 0.719 USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= 1.1 (180deg=-0.0398) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.658 -4.407 1.220 1.00 0.00 N ATOM 2 CA ALA A 1 16.742 -4.790 -0.193 1.00 0.00 C ATOM 3 C ALA A 1 15.497 -5.504 -0.733 1.00 0.00 C ATOM 4 O ALA A 1 15.329 -6.691 -0.475 1.00 0.00 O ATOM 5 CB ALA A 1 17.964 -5.665 -0.317 1.00 0.00 C ATOM 0 H1 ALA A 1 16.687 -3.371 1.301 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.767 -4.761 1.623 1.00 0.00 H new ATOM 0 H3 ALA A 1 17.460 -4.818 1.739 1.00 0.00 H new ATOM 0 HA ALA A 1 16.810 -3.888 -0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 1 18.080 -5.983 -1.353 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.846 -5.104 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 1 17.850 -6.541 0.321 1.00 0.00 H new ATOM 12 N THR A 2 14.691 -4.819 -1.549 1.00 0.00 N ATOM 13 CA THR A 2 13.987 -5.436 -2.680 1.00 0.00 C ATOM 14 C THR A 2 13.131 -6.650 -2.298 1.00 0.00 C ATOM 15 O THR A 2 13.464 -7.792 -2.620 1.00 0.00 O ATOM 16 CB THR A 2 15.018 -5.754 -3.775 1.00 0.00 C ATOM 17 OG1 THR A 2 15.898 -4.657 -3.919 1.00 0.00 O ATOM 18 CG2 THR A 2 14.360 -6.068 -5.124 1.00 0.00 C ATOM 0 H THR A 2 14.507 -3.821 -1.445 1.00 0.00 H new ATOM 0 HA THR A 2 13.256 -4.722 -3.059 1.00 0.00 H new ATOM 0 HB THR A 2 15.565 -6.645 -3.467 1.00 0.00 H new ATOM 0 HG1 THR A 2 15.400 -3.879 -4.245 1.00 0.00 H new ATOM 0 HG21 THR A 2 15.131 -6.286 -5.863 1.00 0.00 H new ATOM 0 HG22 THR A 2 13.705 -6.933 -5.017 1.00 0.00 H new ATOM 0 HG23 THR A 2 13.775 -5.209 -5.452 1.00 0.00 H new ATOM 26 N TYR A 3 12.001 -6.403 -1.635 1.00 0.00 N ATOM 27 CA TYR A 3 11.198 -7.456 -1.026 1.00 0.00 C ATOM 28 C TYR A 3 9.993 -7.862 -1.867 1.00 0.00 C ATOM 29 O TYR A 3 9.475 -7.079 -2.655 1.00 0.00 O ATOM 30 CB TYR A 3 10.724 -7.007 0.352 1.00 0.00 C ATOM 31 CG TYR A 3 11.837 -6.570 1.275 1.00 0.00 C ATOM 32 CD1 TYR A 3 12.906 -7.437 1.567 1.00 0.00 C ATOM 33 CD2 TYR A 3 11.830 -5.269 1.805 1.00 0.00 C ATOM 34 CE1 TYR A 3 13.997 -6.974 2.320 1.00 0.00 C ATOM 35 CE2 TYR A 3 12.874 -4.846 2.637 1.00 0.00 C ATOM 36 CZ TYR A 3 13.975 -5.679 2.858 1.00 0.00 C ATOM 37 OH TYR A 3 15.128 -5.134 3.337 1.00 0.00 O ATOM 0 H TYR A 3 11.619 -5.466 -1.507 1.00 0.00 H new ATOM 0 HA TYR A 3 11.841 -8.333 -0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 3 10.021 -6.182 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.178 -7.825 0.821 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.887 -8.457 1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.019 -4.595 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 3 14.851 -7.614 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 3 12.829 -3.875 3.108 1.00 0.00 H new ATOM 0 HH TYR A 3 14.948 -4.232 3.675 1.00 0.00 H new ATOM 47 N ASN A 4 9.538 -9.099 -1.652 1.00 0.00 N ATOM 48 CA ASN A 4 8.301 -9.672 -2.129 1.00 0.00 C ATOM 49 C ASN A 4 7.124 -8.920 -1.510 1.00 0.00 C ATOM 50 O ASN A 4 6.778 -9.154 -0.353 1.00 0.00 O ATOM 51 CB ASN A 4 8.294 -11.151 -1.699 1.00 0.00 C ATOM 52 CG ASN A 4 6.952 -11.844 -1.889 1.00 0.00 C ATOM 53 OD1 ASN A 4 6.584 -12.722 -1.116 1.00 0.00 O ATOM 54 ND2 ASN A 4 6.239 -11.470 -2.937 1.00 0.00 N ATOM 0 H ASN A 4 10.073 -9.767 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 4 8.214 -9.596 -3.213 1.00 0.00 H new ATOM 0 HB2 ASN A 4 9.053 -11.688 -2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.579 -11.215 -0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.343 -11.917 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 4 6.585 -10.735 -3.553 1.00 0.00 H new ATOM 61 N VAL A 5 6.514 -8.028 -2.287 1.00 0.00 N ATOM 62 CA VAL A 5 5.275 -7.370 -1.910 1.00 0.00 C ATOM 63 C VAL A 5 4.133 -7.978 -2.711 1.00 0.00 C ATOM 64 O VAL A 5 4.029 -7.737 -3.916 1.00 0.00 O ATOM 65 CB VAL A 5 5.357 -5.856 -2.125 1.00 0.00 C ATOM 66 CG1 VAL A 5 4.073 -5.187 -1.607 1.00 0.00 C ATOM 67 CG2 VAL A 5 6.574 -5.287 -1.391 1.00 0.00 C ATOM 0 H VAL A 5 6.871 -7.743 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 5 5.096 -7.526 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 5 5.461 -5.653 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.136 -4.110 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.213 -5.582 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.958 -5.394 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.624 -4.210 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.485 -5.493 -0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.481 -5.753 -1.776 1.00 0.00 H new ATOM 77 N LYS A 6 3.250 -8.737 -2.056 1.00 0.00 N ATOM 78 CA LYS A 6 2.003 -9.106 -2.685 1.00 0.00 C ATOM 79 C LYS A 6 0.979 -7.988 -2.568 1.00 0.00 C ATOM 80 O LYS A 6 0.754 -7.458 -1.479 1.00 0.00 O ATOM 81 CB LYS A 6 1.462 -10.407 -2.122 1.00 0.00 C ATOM 82 CG LYS A 6 0.300 -10.837 -3.020 1.00 0.00 C ATOM 83 CD LYS A 6 -0.397 -12.073 -2.494 1.00 0.00 C ATOM 84 CE LYS A 6 0.576 -13.246 -2.411 1.00 0.00 C ATOM 85 NZ LYS A 6 -0.166 -14.519 -2.510 1.00 0.00 N ATOM 0 H LYS A 6 3.381 -9.096 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 6 2.203 -9.266 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.239 -11.172 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.125 -10.271 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.419 -10.021 -3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.672 -11.031 -4.026 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.814 -11.870 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.231 -12.331 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.310 -13.179 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.127 -13.208 -1.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.505 -15.313 -2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.814 -14.607 -1.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.713 -14.534 -3.395 1.00 0.00 H new ATOM 99 N LEU A 7 0.315 -7.709 -3.695 1.00 0.00 N ATOM 100 CA LEU A 7 -0.864 -6.883 -3.758 1.00 0.00 C ATOM 101 C LEU A 7 -2.020 -7.790 -4.133 1.00 0.00 C ATOM 102 O LEU A 7 -2.078 -8.243 -5.270 1.00 0.00 O ATOM 103 CB LEU A 7 -0.610 -5.761 -4.775 1.00 0.00 C ATOM 104 CG LEU A 7 0.559 -4.840 -4.408 1.00 0.00 C ATOM 105 CD1 LEU A 7 0.867 -3.935 -5.596 1.00 0.00 C ATOM 106 CD2 LEU A 7 0.230 -3.957 -3.209 1.00 0.00 C ATOM 0 H LEU A 7 0.602 -8.068 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.106 -6.401 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.416 -6.206 -5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.515 -5.161 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 7 1.412 -5.468 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.698 -3.275 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.136 -4.545 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.012 -3.337 -5.835 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.084 -3.319 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.635 -3.336 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.005 -4.584 -2.346 1.00 0.00 H new ATOM 118 N ILE A 8 -2.905 -8.091 -3.175 1.00 0.00 N ATOM 119 CA ILE A 8 -4.162 -8.763 -3.435 1.00 0.00 C ATOM 120 C ILE A 8 -5.078 -7.697 -4.030 1.00 0.00 C ATOM 121 O ILE A 8 -5.640 -6.858 -3.324 1.00 0.00 O ATOM 122 CB ILE A 8 -4.688 -9.437 -2.157 1.00 0.00 C ATOM 123 CG1 ILE A 8 -3.735 -10.551 -1.695 1.00 0.00 C ATOM 124 CG2 ILE A 8 -6.108 -9.990 -2.347 1.00 0.00 C ATOM 125 CD1 ILE A 8 -3.782 -10.766 -0.183 1.00 0.00 C ATOM 0 H ILE A 8 -2.757 -7.868 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.077 -9.588 -4.142 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.732 -8.672 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.995 -11.481 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.717 -10.301 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.443 -10.458 -1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.784 -9.175 -2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.106 -10.730 -3.148 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.091 -11.563 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.495 -9.845 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.793 -11.044 0.114 1.00 0.00 H new ATOM 137 N THR A 9 -5.139 -7.671 -5.356 1.00 0.00 N ATOM 138 CA THR A 9 -6.023 -6.823 -6.120 1.00 0.00 C ATOM 139 C THR A 9 -7.319 -7.589 -6.408 1.00 0.00 C ATOM 140 O THR A 9 -7.273 -8.820 -6.470 1.00 0.00 O ATOM 141 CB THR A 9 -5.327 -6.498 -7.436 1.00 0.00 C ATOM 142 OG1 THR A 9 -4.909 -7.710 -8.039 1.00 0.00 O ATOM 143 CG2 THR A 9 -4.040 -5.704 -7.231 1.00 0.00 C ATOM 0 H THR A 9 -4.551 -8.263 -5.942 1.00 0.00 H new ATOM 0 HA THR A 9 -6.257 -5.909 -5.574 1.00 0.00 H new ATOM 0 HB THR A 9 -6.038 -5.926 -8.033 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.461 -7.515 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.582 -5.498 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.269 -4.764 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.349 -6.283 -6.618 1.00 0.00 H new ATOM 151 N PRO A 10 -8.438 -6.890 -6.660 1.00 0.00 N ATOM 152 CA PRO A 10 -9.726 -7.485 -6.983 1.00 0.00 C ATOM 153 C PRO A 10 -9.641 -8.466 -8.157 1.00 0.00 C ATOM 154 O PRO A 10 -10.304 -9.500 -8.163 1.00 0.00 O ATOM 155 CB PRO A 10 -10.659 -6.324 -7.305 1.00 0.00 C ATOM 156 CG PRO A 10 -10.014 -5.114 -6.662 1.00 0.00 C ATOM 157 CD PRO A 10 -8.539 -5.446 -6.647 1.00 0.00 C ATOM 0 HA PRO A 10 -10.091 -8.075 -6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.765 -6.190 -8.381 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.658 -6.498 -6.906 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.212 -4.206 -7.232 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -10.395 -4.947 -5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.036 -5.015 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.058 -5.032 -5.761 1.00 0.00 H new ATOM 165 N ASP A 11 -8.797 -8.123 -9.133 1.00 0.00 N ATOM 166 CA ASP A 11 -8.435 -8.907 -10.307 1.00 0.00 C ATOM 167 C ASP A 11 -8.032 -10.324 -9.917 1.00 0.00 C ATOM 168 O ASP A 11 -8.286 -11.280 -10.645 1.00 0.00 O ATOM 169 CB ASP A 11 -7.252 -8.210 -10.988 1.00 0.00 C ATOM 170 CG ASP A 11 -7.729 -7.052 -11.846 1.00 0.00 C ATOM 171 OD1 ASP A 11 -8.094 -6.030 -11.226 1.00 0.00 O ATOM 172 OD2 ASP A 11 -7.739 -7.218 -13.085 1.00 0.00 O ATOM 0 H ASP A 11 -8.316 -7.224 -9.118 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.291 -8.975 -10.978 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.555 -7.846 -10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -6.709 -8.926 -11.605 1.00 0.00 H new ATOM 177 N GLY A 12 -7.391 -10.426 -8.755 1.00 0.00 N ATOM 178 CA GLY A 12 -7.022 -11.662 -8.116 1.00 0.00 C ATOM 179 C GLY A 12 -5.508 -11.738 -7.982 1.00 0.00 C ATOM 180 O GLY A 12 -4.885 -12.614 -8.578 1.00 0.00 O ATOM 0 H GLY A 12 -7.107 -9.606 -8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.488 -11.727 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.388 -12.507 -8.699 1.00 0.00 H new ATOM 184 N GLU A 13 -4.951 -10.811 -7.189 1.00 0.00 N ATOM 185 CA GLU A 13 -3.537 -10.666 -6.869 1.00 0.00 C ATOM 186 C GLU A 13 -2.711 -10.238 -8.078 1.00 0.00 C ATOM 187 O GLU A 13 -3.129 -10.376 -9.226 1.00 0.00 O ATOM 188 CB GLU A 13 -2.980 -11.955 -6.264 1.00 0.00 C ATOM 189 CG GLU A 13 -3.599 -12.350 -4.919 1.00 0.00 C ATOM 190 CD GLU A 13 -3.321 -13.810 -4.553 1.00 0.00 C ATOM 191 OE1 GLU A 13 -2.168 -14.111 -4.158 1.00 0.00 O ATOM 192 OE2 GLU A 13 -4.275 -14.607 -4.640 1.00 0.00 O ATOM 0 H GLU A 13 -5.519 -10.100 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.459 -9.870 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.134 -12.769 -6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.903 -11.844 -6.135 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.205 -11.701 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.676 -12.187 -4.956 1.00 0.00 H new ATOM 199 N VAL A 14 -1.512 -9.720 -7.802 1.00 0.00 N ATOM 200 CA VAL A 14 -0.552 -9.394 -8.847 1.00 0.00 C ATOM 201 C VAL A 14 0.867 -9.754 -8.411 1.00 0.00 C ATOM 202 O VAL A 14 1.511 -10.584 -9.046 1.00 0.00 O ATOM 203 CB VAL A 14 -0.765 -7.939 -9.285 1.00 0.00 C ATOM 204 CG1 VAL A 14 -0.623 -6.914 -8.165 1.00 0.00 C ATOM 205 CG2 VAL A 14 0.101 -7.577 -10.493 1.00 0.00 C ATOM 0 H VAL A 14 -1.186 -9.518 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.714 -10.001 -9.738 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.811 -7.887 -9.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.789 -5.913 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.358 -7.121 -7.387 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.380 -6.974 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.079 -6.539 -10.772 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.153 -7.707 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.153 -8.227 -11.330 1.00 0.00 H new ATOM 215 N GLU A 15 1.305 -9.171 -7.292 1.00 0.00 N ATOM 216 CA GLU A 15 2.597 -9.400 -6.654 1.00 0.00 C ATOM 217 C GLU A 15 3.756 -8.783 -7.429 1.00 0.00 C ATOM 218 O GLU A 15 3.754 -8.755 -8.658 1.00 0.00 O ATOM 219 CB GLU A 15 2.829 -10.895 -6.381 1.00 0.00 C ATOM 220 CG GLU A 15 3.928 -11.132 -5.340 1.00 0.00 C ATOM 221 CD GLU A 15 4.025 -12.601 -4.958 1.00 0.00 C ATOM 222 OE1 GLU A 15 4.110 -13.437 -5.880 1.00 0.00 O ATOM 223 OE2 GLU A 15 4.035 -12.845 -3.731 1.00 0.00 O ATOM 0 H GLU A 15 0.737 -8.493 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 15 2.565 -8.886 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.900 -11.347 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.099 -11.394 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.885 -10.794 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.723 -10.536 -4.451 1.00 0.00 H new ATOM 230 N PHE A 16 4.747 -8.266 -6.697 1.00 0.00 N ATOM 231 CA PHE A 16 5.934 -7.666 -7.283 1.00 0.00 C ATOM 232 C PHE A 16 7.064 -7.527 -6.269 1.00 0.00 C ATOM 233 O PHE A 16 6.879 -7.774 -5.075 1.00 0.00 O ATOM 234 CB PHE A 16 5.606 -6.376 -8.025 1.00 0.00 C ATOM 235 CG PHE A 16 5.402 -5.176 -7.147 1.00 0.00 C ATOM 236 CD1 PHE A 16 4.411 -5.184 -6.154 1.00 0.00 C ATOM 237 CD2 PHE A 16 6.295 -4.101 -7.240 1.00 0.00 C ATOM 238 CE1 PHE A 16 4.342 -4.138 -5.234 1.00 0.00 C ATOM 239 CE2 PHE A 16 6.202 -3.040 -6.339 1.00 0.00 C ATOM 240 CZ PHE A 16 5.213 -3.042 -5.344 1.00 0.00 C ATOM 0 H PHE A 16 4.742 -8.255 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 16 6.313 -8.351 -8.041 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.413 -6.162 -8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.704 -6.533 -8.616 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.703 -5.998 -6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.054 -4.093 -8.008 1.00 0.00 H new ATOM 0 HE1 PHE A 16 3.617 -4.171 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.894 -2.214 -6.408 1.00 0.00 H new ATOM 0 HZ PHE A 16 5.122 -2.206 -4.667 1.00 0.00 H new ATOM 250 N LYS A 17 8.256 -7.181 -6.764 1.00 0.00 N ATOM 251 CA LYS A 17 9.395 -6.822 -5.941 1.00 0.00 C ATOM 252 C LYS A 17 9.378 -5.316 -5.724 1.00 0.00 C ATOM 253 O LYS A 17 9.311 -4.565 -6.694 1.00 0.00 O ATOM 254 CB LYS A 17 10.704 -7.300 -6.593 1.00 0.00 C ATOM 255 CG LYS A 17 11.461 -8.254 -5.664 1.00 0.00 C ATOM 256 CD LYS A 17 10.682 -9.555 -5.431 1.00 0.00 C ATOM 257 CE LYS A 17 11.040 -10.674 -6.424 1.00 0.00 C ATOM 258 NZ LYS A 17 11.406 -11.926 -5.728 1.00 0.00 N ATOM 0 H LYS A 17 8.451 -7.145 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 17 9.333 -7.315 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.484 -7.802 -7.535 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.332 -6.441 -6.829 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.435 -8.485 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.644 -7.763 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.873 -9.906 -4.417 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.614 -9.347 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.193 -10.859 -7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.870 -10.351 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.641 -12.657 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.230 -11.755 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.605 -12.248 -5.148 1.00 0.00 H new ATOM 272 N CYS A 18 9.426 -4.890 -4.462 1.00 0.00 N ATOM 273 CA CYS A 18 9.458 -3.484 -4.109 1.00 0.00 C ATOM 274 C CYS A 18 10.727 -3.157 -3.331 1.00 0.00 C ATOM 275 O CYS A 18 11.014 -3.819 -2.328 1.00 0.00 O ATOM 276 CB CYS A 18 8.223 -3.095 -3.332 1.00 0.00 C ATOM 277 SG CYS A 18 8.207 -1.285 -3.338 1.00 0.00 S ATOM 0 H CYS A 18 9.444 -5.518 -3.658 1.00 0.00 H new ATOM 0 HA CYS A 18 9.467 -2.899 -5.029 1.00 0.00 H new ATOM 0 HB2 CYS A 18 7.323 -3.498 -3.796 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.259 -3.485 -2.315 1.00 0.00 H new ATOM 0 HG CYS A 18 9.277 -0.840 -2.749 1.00 0.00 H new ATOM 283 N ASP A 19 11.502 -2.176 -3.800 1.00 0.00 N ATOM 284 CA ASP A 19 12.702 -1.736 -3.117 1.00 0.00 C ATOM 285 C ASP A 19 12.334 -1.029 -1.821 1.00 0.00 C ATOM 286 O ASP A 19 11.326 -0.337 -1.699 1.00 0.00 O ATOM 287 CB ASP A 19 13.604 -0.877 -4.010 1.00 0.00 C ATOM 288 CG ASP A 19 14.036 -1.606 -5.275 1.00 0.00 C ATOM 289 OD1 ASP A 19 14.550 -2.736 -5.115 1.00 0.00 O ATOM 290 OD2 ASP A 19 13.864 -1.027 -6.370 1.00 0.00 O ATOM 0 H ASP A 19 11.308 -1.670 -4.664 1.00 0.00 H new ATOM 0 HA ASP A 19 13.291 -2.619 -2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 19 13.076 0.036 -4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.488 -0.578 -3.447 1.00 0.00 H new ATOM 295 N ASP A 20 13.189 -1.193 -0.828 1.00 0.00 N ATOM 296 CA ASP A 20 12.967 -0.725 0.525 1.00 0.00 C ATOM 297 C ASP A 20 13.197 0.784 0.652 1.00 0.00 C ATOM 298 O ASP A 20 12.935 1.354 1.708 1.00 0.00 O ATOM 299 CB ASP A 20 13.794 -1.620 1.453 1.00 0.00 C ATOM 300 CG ASP A 20 15.230 -1.790 1.060 1.00 0.00 C ATOM 301 OD1 ASP A 20 15.449 -2.296 -0.060 1.00 0.00 O ATOM 302 OD2 ASP A 20 16.084 -1.974 1.952 1.00 0.00 O ATOM 0 H ASP A 20 14.083 -1.670 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 20 11.924 -0.821 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.756 -1.206 2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.326 -2.604 1.495 1.00 0.00 H new ATOM 307 N ASP A 21 13.590 1.428 -0.454 1.00 0.00 N ATOM 308 CA ASP A 21 13.704 2.868 -0.603 1.00 0.00 C ATOM 309 C ASP A 21 12.808 3.382 -1.742 1.00 0.00 C ATOM 310 O ASP A 21 13.068 4.458 -2.277 1.00 0.00 O ATOM 311 CB ASP A 21 15.180 3.226 -0.844 1.00 0.00 C ATOM 312 CG ASP A 21 16.017 3.169 0.426 1.00 0.00 C ATOM 313 OD1 ASP A 21 15.868 4.101 1.245 1.00 0.00 O ATOM 314 OD2 ASP A 21 16.818 2.216 0.538 1.00 0.00 O ATOM 0 H ASP A 21 13.847 0.927 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 21 13.361 3.355 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 21 15.599 2.541 -1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.241 4.228 -1.269 1.00 0.00 H new ATOM 319 N VAL A 22 11.744 2.655 -2.126 1.00 0.00 N ATOM 320 CA VAL A 22 10.789 3.137 -3.127 1.00 0.00 C ATOM 321 C VAL A 22 9.355 2.972 -2.618 1.00 0.00 C ATOM 322 O VAL A 22 9.078 2.065 -1.833 1.00 0.00 O ATOM 323 CB VAL A 22 11.052 2.452 -4.484 1.00 0.00 C ATOM 324 CG1 VAL A 22 10.410 1.072 -4.624 1.00 0.00 C ATOM 325 CG2 VAL A 22 10.539 3.313 -5.638 1.00 0.00 C ATOM 0 H VAL A 22 11.528 1.730 -1.755 1.00 0.00 H new ATOM 0 HA VAL A 22 10.928 4.205 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 22 12.134 2.330 -4.523 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.643 0.660 -5.606 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.799 0.409 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.329 1.161 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.736 2.809 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.466 3.469 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.049 4.276 -5.628 1.00 0.00 H new ATOM 335 N TYR A 23 8.441 3.860 -3.031 1.00 0.00 N ATOM 336 CA TYR A 23 7.034 3.709 -2.682 1.00 0.00 C ATOM 337 C TYR A 23 6.496 2.432 -3.326 1.00 0.00 C ATOM 338 O TYR A 23 6.835 2.134 -4.473 1.00 0.00 O ATOM 339 CB TYR A 23 6.186 4.897 -3.162 1.00 0.00 C ATOM 340 CG TYR A 23 6.293 6.231 -2.441 1.00 0.00 C ATOM 341 CD1 TYR A 23 7.126 6.421 -1.321 1.00 0.00 C ATOM 342 CD2 TYR A 23 5.483 7.294 -2.889 1.00 0.00 C ATOM 343 CE1 TYR A 23 7.173 7.675 -0.686 1.00 0.00 C ATOM 344 CE2 TYR A 23 5.548 8.549 -2.262 1.00 0.00 C ATOM 345 CZ TYR A 23 6.418 8.750 -1.179 1.00 0.00 C ATOM 346 OH TYR A 23 6.482 9.968 -0.574 1.00 0.00 O ATOM 0 H TYR A 23 8.653 4.679 -3.600 1.00 0.00 H new ATOM 0 HA TYR A 23 6.965 3.663 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.431 5.071 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.141 4.589 -3.126 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.728 5.605 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.809 7.143 -3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.794 7.811 0.187 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.928 9.360 -2.614 1.00 0.00 H new ATOM 0 HH TYR A 23 6.057 10.640 -1.146 1.00 0.00 H new ATOM 356 N VAL A 24 5.614 1.720 -2.618 1.00 0.00 N ATOM 357 CA VAL A 24 4.956 0.538 -3.165 1.00 0.00 C ATOM 358 C VAL A 24 4.374 0.839 -4.552 1.00 0.00 C ATOM 359 O VAL A 24 4.749 0.203 -5.538 1.00 0.00 O ATOM 360 CB VAL A 24 3.907 -0.029 -2.191 1.00 0.00 C ATOM 361 CG1 VAL A 24 3.473 -1.426 -2.642 1.00 0.00 C ATOM 362 CG2 VAL A 24 4.465 -0.185 -0.772 1.00 0.00 C ATOM 0 H VAL A 24 5.341 1.946 -1.662 1.00 0.00 H new ATOM 0 HA VAL A 24 5.704 -0.245 -3.292 1.00 0.00 H new ATOM 0 HB VAL A 24 3.076 0.676 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.731 -1.819 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.040 -1.368 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.339 -2.088 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.691 -0.588 -0.119 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.316 -0.866 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.785 0.787 -0.398 1.00 0.00 H new ATOM 372 N LEU A 25 3.474 1.826 -4.634 1.00 0.00 N ATOM 373 CA LEU A 25 2.800 2.143 -5.888 1.00 0.00 C ATOM 374 C LEU A 25 3.766 2.509 -7.003 1.00 0.00 C ATOM 375 O LEU A 25 3.504 2.190 -8.153 1.00 0.00 O ATOM 376 CB LEU A 25 1.745 3.235 -5.709 1.00 0.00 C ATOM 377 CG LEU A 25 2.266 4.669 -5.492 1.00 0.00 C ATOM 378 CD1 LEU A 25 2.805 5.387 -6.742 1.00 0.00 C ATOM 379 CD2 LEU A 25 1.058 5.468 -5.036 1.00 0.00 C ATOM 0 H LEU A 25 3.200 2.414 -3.847 1.00 0.00 H new ATOM 0 HA LEU A 25 2.294 1.226 -6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.103 3.236 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.119 2.968 -4.858 1.00 0.00 H new ATOM 0 HG LEU A 25 3.102 4.603 -4.796 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.143 6.387 -6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.640 4.821 -7.155 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.014 5.462 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.351 6.503 -4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.288 5.435 -5.806 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.667 5.041 -4.113 1.00 0.00 H new ATOM 391 N ASP A 26 4.858 3.202 -6.677 1.00 0.00 N ATOM 392 CA ASP A 26 5.734 3.786 -7.680 1.00 0.00 C ATOM 393 C ASP A 26 6.300 2.665 -8.530 1.00 0.00 C ATOM 394 O ASP A 26 6.012 2.529 -9.719 1.00 0.00 O ATOM 395 CB ASP A 26 6.827 4.576 -6.961 1.00 0.00 C ATOM 396 CG ASP A 26 7.821 5.237 -7.901 1.00 0.00 C ATOM 397 OD1 ASP A 26 7.368 5.739 -8.949 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.008 5.279 -7.514 1.00 0.00 O ATOM 0 H ASP A 26 5.154 3.371 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 26 5.200 4.471 -8.339 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.361 5.342 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.365 3.907 -6.290 1.00 0.00 H new ATOM 403 N GLN A 27 7.044 1.793 -7.858 1.00 0.00 N ATOM 404 CA GLN A 27 7.627 0.648 -8.500 1.00 0.00 C ATOM 405 C GLN A 27 6.533 -0.274 -9.057 1.00 0.00 C ATOM 406 O GLN A 27 6.679 -0.795 -10.156 1.00 0.00 O ATOM 407 CB GLN A 27 8.614 0.000 -7.533 1.00 0.00 C ATOM 408 CG GLN A 27 9.393 -1.124 -8.211 1.00 0.00 C ATOM 409 CD GLN A 27 10.749 -1.321 -7.540 1.00 0.00 C ATOM 410 OE1 GLN A 27 10.827 -1.885 -6.458 1.00 0.00 O ATOM 411 NE2 GLN A 27 11.825 -0.804 -8.115 1.00 0.00 N ATOM 0 H GLN A 27 7.251 1.869 -6.862 1.00 0.00 H new ATOM 0 HA GLN A 27 8.206 0.928 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.308 0.753 -7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.077 -0.395 -6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.820 -2.050 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.534 -0.890 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.746 -0.336 -9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.733 -0.874 -7.655 1.00 0.00 H new ATOM 420 N ALA A 28 5.410 -0.447 -8.352 1.00 0.00 N ATOM 421 CA ALA A 28 4.296 -1.226 -8.884 1.00 0.00 C ATOM 422 C ALA A 28 3.868 -0.744 -10.277 1.00 0.00 C ATOM 423 O ALA A 28 3.870 -1.511 -11.244 1.00 0.00 O ATOM 424 CB ALA A 28 3.121 -1.155 -7.916 1.00 0.00 C ATOM 0 H ALA A 28 5.252 -0.061 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 28 4.627 -2.259 -8.990 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.288 -1.736 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.420 -1.561 -6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.813 -0.117 -7.793 1.00 0.00 H new ATOM 430 N GLU A 29 3.491 0.531 -10.388 1.00 0.00 N ATOM 431 CA GLU A 29 3.085 1.134 -11.644 1.00 0.00 C ATOM 432 C GLU A 29 4.228 1.025 -12.659 1.00 0.00 C ATOM 433 O GLU A 29 3.964 0.724 -13.819 1.00 0.00 O ATOM 434 CB GLU A 29 2.632 2.589 -11.439 1.00 0.00 C ATOM 435 CG GLU A 29 1.280 2.674 -10.714 1.00 0.00 C ATOM 436 CD GLU A 29 0.757 4.105 -10.662 1.00 0.00 C ATOM 437 OE1 GLU A 29 1.189 4.845 -9.754 1.00 0.00 O ATOM 438 OE2 GLU A 29 -0.063 4.447 -11.543 1.00 0.00 O ATOM 0 H GLU A 29 3.461 1.174 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 29 2.225 0.593 -12.040 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.386 3.126 -10.864 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.556 3.085 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.554 2.039 -11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.386 2.288 -9.700 1.00 0.00 H new ATOM 445 N GLU A 30 5.490 1.195 -12.235 1.00 0.00 N ATOM 446 CA GLU A 30 6.644 0.920 -13.094 1.00 0.00 C ATOM 447 C GLU A 30 6.588 -0.473 -13.714 1.00 0.00 C ATOM 448 O GLU A 30 6.903 -0.636 -14.894 1.00 0.00 O ATOM 449 CB GLU A 30 7.981 1.184 -12.389 1.00 0.00 C ATOM 450 CG GLU A 30 8.208 2.673 -12.084 1.00 0.00 C ATOM 451 CD GLU A 30 8.993 3.357 -13.197 1.00 0.00 C ATOM 452 OE1 GLU A 30 10.234 3.192 -13.191 1.00 0.00 O ATOM 453 OE2 GLU A 30 8.347 4.001 -14.050 1.00 0.00 O ATOM 0 H GLU A 30 5.734 1.522 -11.300 1.00 0.00 H new ATOM 0 HA GLU A 30 6.584 1.632 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.014 0.618 -11.458 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.795 0.817 -13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.246 3.170 -11.957 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.747 2.775 -11.142 1.00 0.00 H new ATOM 460 N GLU A 31 6.175 -1.483 -12.950 1.00 0.00 N ATOM 461 CA GLU A 31 6.087 -2.839 -13.484 1.00 0.00 C ATOM 462 C GLU A 31 4.853 -2.969 -14.376 1.00 0.00 C ATOM 463 O GLU A 31 4.795 -3.830 -15.252 1.00 0.00 O ATOM 464 CB GLU A 31 6.073 -3.865 -12.349 1.00 0.00 C ATOM 465 CG GLU A 31 7.131 -3.511 -11.297 1.00 0.00 C ATOM 466 CD GLU A 31 8.085 -4.661 -10.992 1.00 0.00 C ATOM 467 OE1 GLU A 31 7.576 -5.772 -10.725 1.00 0.00 O ATOM 468 OE2 GLU A 31 9.309 -4.417 -11.028 1.00 0.00 O ATOM 0 H GLU A 31 5.900 -1.390 -11.972 1.00 0.00 H new ATOM 0 HA GLU A 31 6.968 -3.041 -14.094 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.086 -3.892 -11.887 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.266 -4.861 -12.748 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.706 -2.653 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.632 -3.208 -10.377 1.00 0.00 H new ATOM 475 N GLY A 32 3.867 -2.105 -14.133 1.00 0.00 N ATOM 476 CA GLY A 32 2.636 -1.995 -14.899 1.00 0.00 C ATOM 477 C GLY A 32 1.434 -2.362 -14.040 1.00 0.00 C ATOM 478 O GLY A 32 0.355 -2.623 -14.567 1.00 0.00 O ATOM 0 H GLY A 32 3.911 -1.437 -13.364 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.525 -0.978 -15.274 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.682 -2.651 -15.768 1.00 0.00 H new ATOM 482 N ILE A 33 1.611 -2.408 -12.717 1.00 0.00 N ATOM 483 CA ILE A 33 0.539 -2.777 -11.814 1.00 0.00 C ATOM 484 C ILE A 33 -0.406 -1.592 -11.634 1.00 0.00 C ATOM 485 O ILE A 33 0.013 -0.515 -11.222 1.00 0.00 O ATOM 486 CB ILE A 33 1.126 -3.194 -10.471 1.00 0.00 C ATOM 487 CG1 ILE A 33 2.144 -4.315 -10.679 1.00 0.00 C ATOM 488 CG2 ILE A 33 0.031 -3.675 -9.515 1.00 0.00 C ATOM 489 CD1 ILE A 33 2.840 -4.737 -9.384 1.00 0.00 C ATOM 0 H ILE A 33 2.494 -2.192 -12.254 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.020 -3.615 -12.230 1.00 0.00 H new ATOM 0 HB ILE A 33 1.614 -2.325 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.641 -5.179 -11.113 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.895 -3.988 -11.399 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.479 -3.966 -8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.685 -2.870 -9.347 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.482 -4.532 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.551 -5.536 -9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.369 -3.883 -8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.097 -5.093 -8.671 1.00 0.00 H new ATOM 501 N ASP A 34 -1.689 -1.827 -11.886 1.00 0.00 N ATOM 502 CA ASP A 34 -2.750 -0.858 -11.651 1.00 0.00 C ATOM 503 C ASP A 34 -3.275 -1.025 -10.227 1.00 0.00 C ATOM 504 O ASP A 34 -3.720 -2.114 -9.862 1.00 0.00 O ATOM 505 CB ASP A 34 -3.844 -1.060 -12.702 1.00 0.00 C ATOM 506 CG ASP A 34 -4.928 0.009 -12.620 1.00 0.00 C ATOM 507 OD1 ASP A 34 -5.483 0.185 -11.516 1.00 0.00 O ATOM 508 OD2 ASP A 34 -5.184 0.634 -13.672 1.00 0.00 O ATOM 0 H ASP A 34 -2.025 -2.712 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.379 0.162 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.397 -1.046 -13.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.295 -2.043 -12.569 1.00 0.00 H new ATOM 513 N ILE A 35 -3.166 0.030 -9.412 1.00 0.00 N ATOM 514 CA ILE A 35 -3.692 0.089 -8.057 1.00 0.00 C ATOM 515 C ILE A 35 -4.265 1.494 -7.833 1.00 0.00 C ATOM 516 O ILE A 35 -3.939 2.401 -8.599 1.00 0.00 O ATOM 517 CB ILE A 35 -2.622 -0.317 -7.024 1.00 0.00 C ATOM 518 CG1 ILE A 35 -1.591 0.776 -6.697 1.00 0.00 C ATOM 519 CG2 ILE A 35 -1.900 -1.600 -7.429 1.00 0.00 C ATOM 520 CD1 ILE A 35 -0.648 0.303 -5.581 1.00 0.00 C ATOM 0 H ILE A 35 -2.693 0.889 -9.692 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.497 -0.633 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.191 -0.486 -6.110 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.015 1.021 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.103 1.687 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.154 -1.851 -6.675 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.621 -2.413 -7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.408 -1.453 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.076 1.087 -5.360 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.227 0.081 -4.685 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.123 -0.595 -5.905 1.00 0.00 H new ATOM 532 N PRO A 36 -5.119 1.695 -6.815 1.00 0.00 N ATOM 533 CA PRO A 36 -5.739 2.979 -6.557 1.00 0.00 C ATOM 534 C PRO A 36 -4.664 4.018 -6.235 1.00 0.00 C ATOM 535 O PRO A 36 -3.729 3.712 -5.497 1.00 0.00 O ATOM 536 CB PRO A 36 -6.691 2.796 -5.373 1.00 0.00 C ATOM 537 CG PRO A 36 -6.739 1.291 -5.115 1.00 0.00 C ATOM 538 CD PRO A 36 -5.525 0.715 -5.836 1.00 0.00 C ATOM 0 HA PRO A 36 -6.289 3.332 -7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.333 3.333 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.682 3.186 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.701 1.074 -4.047 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.664 0.857 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -4.717 0.513 -5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.773 -0.232 -6.316 1.00 0.00 H new ATOM 546 N TYR A 37 -4.801 5.233 -6.771 1.00 0.00 N ATOM 547 CA TYR A 37 -3.888 6.337 -6.511 1.00 0.00 C ATOM 548 C TYR A 37 -4.565 7.630 -6.977 1.00 0.00 C ATOM 549 O TYR A 37 -5.463 8.131 -6.307 1.00 0.00 O ATOM 550 CB TYR A 37 -2.530 6.061 -7.190 1.00 0.00 C ATOM 551 CG TYR A 37 -1.487 7.166 -7.131 1.00 0.00 C ATOM 552 CD1 TYR A 37 -1.360 7.974 -5.987 1.00 0.00 C ATOM 553 CD2 TYR A 37 -0.522 7.258 -8.150 1.00 0.00 C ATOM 554 CE1 TYR A 37 -0.230 8.791 -5.816 1.00 0.00 C ATOM 555 CE2 TYR A 37 0.577 8.124 -8.008 1.00 0.00 C ATOM 556 CZ TYR A 37 0.742 8.863 -6.824 1.00 0.00 C ATOM 557 OH TYR A 37 1.877 9.596 -6.631 1.00 0.00 O ATOM 0 H TYR A 37 -5.561 5.476 -7.406 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.670 6.444 -5.448 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.101 5.167 -6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.717 5.829 -8.238 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.136 7.966 -5.236 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.625 6.662 -9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.110 9.364 -4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.295 8.221 -8.809 1.00 0.00 H new ATOM 0 HH TYR A 37 2.444 9.537 -7.428 1.00 0.00 H new ATOM 567 N SER A 38 -4.194 8.141 -8.156 1.00 0.00 N ATOM 568 CA SER A 38 -4.716 9.388 -8.710 1.00 0.00 C ATOM 569 C SER A 38 -4.632 10.541 -7.696 1.00 0.00 C ATOM 570 O SER A 38 -5.594 11.281 -7.494 1.00 0.00 O ATOM 571 CB SER A 38 -6.117 9.178 -9.319 1.00 0.00 C ATOM 572 OG SER A 38 -6.975 8.403 -8.504 1.00 0.00 O ATOM 0 H SER A 38 -3.509 7.688 -8.761 1.00 0.00 H new ATOM 0 HA SER A 38 -4.077 9.697 -9.538 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.577 10.150 -9.496 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.014 8.692 -10.289 1.00 0.00 H new ATOM 0 HG SER A 38 -6.720 8.512 -7.564 1.00 0.00 H new ATOM 578 N CYS A 39 -3.446 10.699 -7.106 1.00 0.00 N ATOM 579 CA CYS A 39 -3.088 11.654 -6.064 1.00 0.00 C ATOM 580 C CYS A 39 -1.604 11.960 -6.264 1.00 0.00 C ATOM 581 O CYS A 39 -0.967 11.335 -7.114 1.00 0.00 O ATOM 582 CB CYS A 39 -3.308 10.982 -4.733 1.00 0.00 C ATOM 583 SG CYS A 39 -2.710 11.770 -3.206 1.00 0.00 S ATOM 0 H CYS A 39 -2.651 10.115 -7.367 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.677 12.570 -6.102 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.381 10.830 -4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.850 9.994 -4.789 1.00 0.00 H new ATOM 588 N ARG A 40 -1.051 12.895 -5.491 1.00 0.00 N ATOM 589 CA ARG A 40 0.351 12.916 -5.117 1.00 0.00 C ATOM 590 C ARG A 40 0.490 13.900 -3.952 1.00 0.00 C ATOM 591 O ARG A 40 -0.257 14.874 -3.901 1.00 0.00 O ATOM 592 CB ARG A 40 1.221 13.286 -6.324 1.00 0.00 C ATOM 593 CG ARG A 40 2.711 13.383 -5.989 1.00 0.00 C ATOM 594 CD ARG A 40 3.490 13.422 -7.306 1.00 0.00 C ATOM 595 NE ARG A 40 4.891 13.815 -7.098 1.00 0.00 N ATOM 596 CZ ARG A 40 5.753 14.064 -8.096 1.00 0.00 C ATOM 597 NH1 ARG A 40 5.384 13.833 -9.361 1.00 0.00 N ATOM 598 NH2 ARG A 40 6.970 14.549 -7.828 1.00 0.00 N ATOM 0 H ARG A 40 -1.583 13.674 -5.102 1.00 0.00 H new ATOM 0 HA ARG A 40 0.699 11.934 -4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.079 12.541 -7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.883 14.241 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 40 2.912 14.278 -5.401 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.023 12.529 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.454 12.441 -7.779 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.013 14.124 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 40 5.228 13.904 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.452 13.470 -9.562 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.034 14.020 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.245 14.731 -6.863 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.623 14.737 -8.589 1.00 0.00 H new ATOM 612 N ALA A 41 1.447 13.643 -3.050 1.00 0.00 N ATOM 613 CA ALA A 41 1.727 14.400 -1.832 1.00 0.00 C ATOM 614 C ALA A 41 0.784 13.990 -0.695 1.00 0.00 C ATOM 615 O ALA A 41 -0.371 14.404 -0.657 1.00 0.00 O ATOM 616 CB ALA A 41 1.734 15.919 -2.058 1.00 0.00 C ATOM 0 H ALA A 41 2.082 12.853 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 41 2.742 14.142 -1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.948 16.426 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.500 16.174 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.759 16.236 -2.428 1.00 0.00 H new ATOM 622 N GLY A 42 1.296 13.172 0.229 1.00 0.00 N ATOM 623 CA GLY A 42 0.584 12.668 1.393 1.00 0.00 C ATOM 624 C GLY A 42 -0.220 13.754 2.110 1.00 0.00 C ATOM 625 O GLY A 42 0.305 14.838 2.359 1.00 0.00 O ATOM 0 H GLY A 42 2.257 12.833 0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.089 11.868 1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.299 12.231 2.090 1.00 0.00 H new ATOM 629 N SER A 43 -1.473 13.427 2.454 1.00 0.00 N ATOM 630 CA SER A 43 -2.500 14.248 3.098 1.00 0.00 C ATOM 631 C SER A 43 -3.674 14.377 2.125 1.00 0.00 C ATOM 632 O SER A 43 -3.843 15.408 1.476 1.00 0.00 O ATOM 633 CB SER A 43 -2.001 15.604 3.629 1.00 0.00 C ATOM 634 OG SER A 43 -2.954 16.156 4.519 1.00 0.00 O ATOM 0 H SER A 43 -1.824 12.488 2.269 1.00 0.00 H new ATOM 0 HA SER A 43 -2.822 13.744 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.047 15.475 4.139 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.828 16.288 2.798 1.00 0.00 H new ATOM 0 HG SER A 43 -2.628 17.018 4.854 1.00 0.00 H new ATOM 640 N CYS A 44 -4.449 13.295 2.005 1.00 0.00 N ATOM 641 CA CYS A 44 -5.470 13.110 0.982 1.00 0.00 C ATOM 642 C CYS A 44 -6.665 12.350 1.576 1.00 0.00 C ATOM 643 O CYS A 44 -6.881 12.387 2.788 1.00 0.00 O ATOM 644 CB CYS A 44 -4.845 12.378 -0.179 1.00 0.00 C ATOM 645 SG CYS A 44 -4.639 10.598 0.070 1.00 0.00 S ATOM 0 H CYS A 44 -4.377 12.500 2.641 1.00 0.00 H new ATOM 0 HA CYS A 44 -5.848 14.068 0.624 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -5.460 12.538 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -3.869 12.817 -0.385 1.00 0.00 H new ATOM 650 N SER A 45 -7.449 11.667 0.738 1.00 0.00 N ATOM 651 CA SER A 45 -8.482 10.738 1.156 1.00 0.00 C ATOM 652 C SER A 45 -8.684 9.724 0.029 1.00 0.00 C ATOM 653 O SER A 45 -8.223 9.951 -1.088 1.00 0.00 O ATOM 654 CB SER A 45 -9.772 11.501 1.473 1.00 0.00 C ATOM 655 OG SER A 45 -10.654 10.681 2.214 1.00 0.00 O ATOM 0 H SER A 45 -7.374 11.753 -0.276 1.00 0.00 H new ATOM 0 HA SER A 45 -8.191 10.210 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.540 12.403 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.251 11.820 0.548 1.00 0.00 H new ATOM 0 HG SER A 45 -11.474 11.179 2.413 1.00 0.00 H new ATOM 661 N SER A 46 -9.396 8.634 0.322 1.00 0.00 N ATOM 662 CA SER A 46 -9.731 7.581 -0.632 1.00 0.00 C ATOM 663 C SER A 46 -8.490 6.865 -1.177 1.00 0.00 C ATOM 664 O SER A 46 -8.318 6.769 -2.388 1.00 0.00 O ATOM 665 CB SER A 46 -10.609 8.125 -1.769 1.00 0.00 C ATOM 666 OG SER A 46 -11.750 8.776 -1.238 1.00 0.00 O ATOM 0 H SER A 46 -9.765 8.457 1.256 1.00 0.00 H new ATOM 0 HA SER A 46 -10.306 6.832 -0.088 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.035 8.822 -2.380 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.918 7.309 -2.422 1.00 0.00 H new ATOM 0 HG SER A 46 -12.301 9.120 -1.972 1.00 0.00 H new ATOM 672 N CYS A 47 -7.680 6.297 -0.278 1.00 0.00 N ATOM 673 CA CYS A 47 -6.517 5.491 -0.628 1.00 0.00 C ATOM 674 C CYS A 47 -6.117 4.622 0.563 1.00 0.00 C ATOM 675 O CYS A 47 -5.874 5.136 1.652 1.00 0.00 O ATOM 676 CB CYS A 47 -5.398 6.383 -1.104 1.00 0.00 C ATOM 677 SG CYS A 47 -3.752 6.195 -0.374 1.00 0.00 S ATOM 0 H CYS A 47 -7.820 6.389 0.728 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.758 4.818 -1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.299 6.240 -2.180 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.711 7.415 -0.947 1.00 0.00 H new ATOM 682 N ALA A 48 -6.106 3.296 0.381 1.00 0.00 N ATOM 683 CA ALA A 48 -5.674 2.354 1.401 1.00 0.00 C ATOM 684 C ALA A 48 -5.650 0.933 0.857 1.00 0.00 C ATOM 685 O ALA A 48 -6.308 0.622 -0.142 1.00 0.00 O ATOM 686 CB ALA A 48 -6.591 2.394 2.627 1.00 0.00 C ATOM 0 H ALA A 48 -6.401 2.851 -0.488 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.668 2.651 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.238 1.677 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.581 3.396 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.608 2.137 2.329 1.00 0.00 H new ATOM 692 N GLY A 49 -4.929 0.076 1.579 1.00 0.00 N ATOM 693 CA GLY A 49 -4.939 -1.363 1.447 1.00 0.00 C ATOM 694 C GLY A 49 -4.932 -2.013 2.827 1.00 0.00 C ATOM 695 O GLY A 49 -4.674 -1.335 3.818 1.00 0.00 O ATOM 0 H GLY A 49 -4.291 0.394 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.822 -1.679 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.069 -1.690 0.877 1.00 0.00 H new ATOM 699 N LYS A 50 -5.219 -3.317 2.893 1.00 0.00 N ATOM 700 CA LYS A 50 -5.262 -4.111 4.103 1.00 0.00 C ATOM 701 C LYS A 50 -3.979 -4.920 4.266 1.00 0.00 C ATOM 702 O LYS A 50 -3.716 -5.805 3.463 1.00 0.00 O ATOM 703 CB LYS A 50 -6.483 -5.023 4.003 1.00 0.00 C ATOM 704 CG LYS A 50 -6.963 -5.462 5.384 1.00 0.00 C ATOM 705 CD LYS A 50 -8.447 -5.805 5.297 1.00 0.00 C ATOM 706 CE LYS A 50 -9.057 -5.721 6.704 1.00 0.00 C ATOM 707 NZ LYS A 50 -10.531 -5.785 6.655 1.00 0.00 N ATOM 0 H LYS A 50 -5.436 -3.864 2.060 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.341 -3.471 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.288 -4.501 3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.236 -5.901 3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.394 -6.327 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.801 -4.667 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.955 -5.115 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.580 -6.806 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.676 -6.538 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.747 -4.792 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.931 -4.994 7.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.849 -5.721 5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.853 -6.685 7.064 1.00 0.00 H new ATOM 721 N VAL A 51 -3.182 -4.629 5.291 1.00 0.00 N ATOM 722 CA VAL A 51 -1.982 -5.372 5.635 1.00 0.00 C ATOM 723 C VAL A 51 -2.387 -6.791 6.033 1.00 0.00 C ATOM 724 O VAL A 51 -2.981 -6.993 7.089 1.00 0.00 O ATOM 725 CB VAL A 51 -1.255 -4.664 6.804 1.00 0.00 C ATOM 726 CG1 VAL A 51 0.065 -5.343 7.177 1.00 0.00 C ATOM 727 CG2 VAL A 51 -0.937 -3.203 6.486 1.00 0.00 C ATOM 0 H VAL A 51 -3.362 -3.847 5.920 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.303 -5.416 4.784 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.952 -4.728 7.639 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.531 -4.804 8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.128 -6.372 7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.733 -5.337 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.427 -2.748 7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.293 -3.154 5.608 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.863 -2.664 6.288 1.00 0.00 H new ATOM 737 N VAL A 52 -2.066 -7.776 5.194 1.00 0.00 N ATOM 738 CA VAL A 52 -2.308 -9.177 5.505 1.00 0.00 C ATOM 739 C VAL A 52 -1.163 -9.721 6.361 1.00 0.00 C ATOM 740 O VAL A 52 -1.401 -10.497 7.284 1.00 0.00 O ATOM 741 CB VAL A 52 -2.470 -9.970 4.202 1.00 0.00 C ATOM 742 CG1 VAL A 52 -2.657 -11.473 4.453 1.00 0.00 C ATOM 743 CG2 VAL A 52 -3.660 -9.439 3.402 1.00 0.00 C ATOM 0 H VAL A 52 -1.633 -7.622 4.284 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.229 -9.279 6.078 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.549 -9.837 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.767 -11.990 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.787 -11.865 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.550 -11.633 5.058 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.763 -10.011 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.570 -9.538 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.497 -8.389 3.161 1.00 0.00 H new ATOM 753 N SER A 53 0.081 -9.350 6.045 1.00 0.00 N ATOM 754 CA SER A 53 1.251 -9.792 6.797 1.00 0.00 C ATOM 755 C SER A 53 2.384 -8.787 6.608 1.00 0.00 C ATOM 756 O SER A 53 2.167 -7.723 6.036 1.00 0.00 O ATOM 757 CB SER A 53 1.653 -11.205 6.345 1.00 0.00 C ATOM 758 OG SER A 53 2.673 -11.724 7.180 1.00 0.00 O ATOM 0 H SER A 53 0.302 -8.736 5.261 1.00 0.00 H new ATOM 0 HA SER A 53 1.020 -9.840 7.861 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.784 -11.862 6.372 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.000 -11.177 5.312 1.00 0.00 H new ATOM 0 HG SER A 53 2.915 -12.625 6.879 1.00 0.00 H new ATOM 764 N GLY A 54 3.590 -9.145 7.055 1.00 0.00 N ATOM 765 CA GLY A 54 4.778 -8.305 6.977 1.00 0.00 C ATOM 766 C GLY A 54 4.584 -6.971 7.695 1.00 0.00 C ATOM 767 O GLY A 54 3.708 -6.827 8.550 1.00 0.00 O ATOM 0 H GLY A 54 3.767 -10.050 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.625 -8.833 7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.024 -8.121 5.931 1.00 0.00 H new ATOM 771 N SER A 55 5.401 -5.971 7.351 1.00 0.00 N ATOM 772 CA SER A 55 5.211 -4.595 7.765 1.00 0.00 C ATOM 773 C SER A 55 5.895 -3.687 6.751 1.00 0.00 C ATOM 774 O SER A 55 6.893 -4.072 6.134 1.00 0.00 O ATOM 775 CB SER A 55 5.814 -4.350 9.146 1.00 0.00 C ATOM 776 OG SER A 55 5.417 -5.331 10.087 1.00 0.00 O ATOM 0 H SER A 55 6.225 -6.107 6.766 1.00 0.00 H new ATOM 0 HA SER A 55 4.143 -4.384 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.901 -4.342 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.513 -3.365 9.502 1.00 0.00 H new ATOM 0 HG SER A 55 4.683 -5.863 9.715 1.00 0.00 H new ATOM 782 N ILE A 56 5.369 -2.475 6.602 1.00 0.00 N ATOM 783 CA ILE A 56 5.921 -1.430 5.770 1.00 0.00 C ATOM 784 C ILE A 56 5.841 -0.132 6.569 1.00 0.00 C ATOM 785 O ILE A 56 5.002 -0.022 7.466 1.00 0.00 O ATOM 786 CB ILE A 56 5.157 -1.357 4.439 1.00 0.00 C ATOM 787 CG1 ILE A 56 3.699 -0.909 4.570 1.00 0.00 C ATOM 788 CG2 ILE A 56 5.166 -2.702 3.709 1.00 0.00 C ATOM 789 CD1 ILE A 56 3.072 -0.810 3.168 1.00 0.00 C ATOM 0 H ILE A 56 4.514 -2.191 7.079 1.00 0.00 H new ATOM 0 HA ILE A 56 6.961 -1.625 5.510 1.00 0.00 H new ATOM 0 HB ILE A 56 5.695 -0.598 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.142 -1.619 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.646 0.056 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.616 -2.611 2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.195 -2.995 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.694 -3.459 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.033 -0.491 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.625 -0.084 2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.113 -1.785 2.682 1.00 0.00 H new ATOM 801 N ASP A 57 6.712 0.824 6.259 1.00 0.00 N ATOM 802 CA ASP A 57 6.789 2.110 6.920 1.00 0.00 C ATOM 803 C ASP A 57 6.013 3.098 6.063 1.00 0.00 C ATOM 804 O ASP A 57 6.463 3.449 4.971 1.00 0.00 O ATOM 805 CB ASP A 57 8.264 2.513 7.060 1.00 0.00 C ATOM 806 CG ASP A 57 8.437 3.841 7.788 1.00 0.00 C ATOM 807 OD1 ASP A 57 7.495 4.660 7.730 1.00 0.00 O ATOM 808 OD2 ASP A 57 9.508 4.009 8.406 1.00 0.00 O ATOM 0 H ASP A 57 7.403 0.715 5.516 1.00 0.00 H new ATOM 0 HA ASP A 57 6.361 2.084 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.801 1.733 7.600 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.714 2.583 6.070 1.00 0.00 H new ATOM 813 N GLN A 58 4.832 3.502 6.536 1.00 0.00 N ATOM 814 CA GLN A 58 4.068 4.584 5.947 1.00 0.00 C ATOM 815 C GLN A 58 4.143 5.860 6.794 1.00 0.00 C ATOM 816 O GLN A 58 3.214 6.659 6.744 1.00 0.00 O ATOM 817 CB GLN A 58 2.625 4.109 5.727 1.00 0.00 C ATOM 818 CG GLN A 58 2.062 3.505 7.008 1.00 0.00 C ATOM 819 CD GLN A 58 0.544 3.419 7.002 1.00 0.00 C ATOM 820 OE1 GLN A 58 -0.162 4.005 6.188 1.00 0.00 O ATOM 821 NE2 GLN A 58 0.027 2.604 7.903 1.00 0.00 N ATOM 0 H GLN A 58 4.382 3.078 7.347 1.00 0.00 H new ATOM 0 HA GLN A 58 4.499 4.849 4.982 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.004 4.947 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.597 3.370 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.477 2.507 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.384 4.105 7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.635 2.128 8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.981 2.450 7.933 1.00 0.00 H new ATOM 830 N SER A 59 5.209 6.087 7.573 1.00 0.00 N ATOM 831 CA SER A 59 5.329 7.258 8.443 1.00 0.00 C ATOM 832 C SER A 59 5.735 8.513 7.656 1.00 0.00 C ATOM 833 O SER A 59 6.747 9.146 7.953 1.00 0.00 O ATOM 834 CB SER A 59 6.307 6.959 9.585 1.00 0.00 C ATOM 835 OG SER A 59 5.790 5.922 10.400 1.00 0.00 O ATOM 0 H SER A 59 6.013 5.460 7.616 1.00 0.00 H new ATOM 0 HA SER A 59 4.351 7.470 8.874 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.276 6.667 9.179 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.469 7.857 10.182 1.00 0.00 H new ATOM 0 HG SER A 59 6.419 5.733 11.127 1.00 0.00 H new ATOM 841 N ASP A 60 4.911 8.861 6.668 1.00 0.00 N ATOM 842 CA ASP A 60 5.121 9.917 5.675 1.00 0.00 C ATOM 843 C ASP A 60 3.798 10.654 5.362 1.00 0.00 C ATOM 844 O ASP A 60 3.774 11.867 5.164 1.00 0.00 O ATOM 845 CB ASP A 60 5.737 9.253 4.426 1.00 0.00 C ATOM 846 CG ASP A 60 6.572 10.179 3.547 1.00 0.00 C ATOM 847 OD1 ASP A 60 6.078 11.278 3.221 1.00 0.00 O ATOM 848 OD2 ASP A 60 7.677 9.745 3.153 1.00 0.00 O ATOM 0 H ASP A 60 4.021 8.382 6.530 1.00 0.00 H new ATOM 0 HA ASP A 60 5.800 10.681 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.363 8.420 4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.932 8.833 3.823 1.00 0.00 H new ATOM 853 N GLN A 61 2.676 9.922 5.328 1.00 0.00 N ATOM 854 CA GLN A 61 1.349 10.377 4.945 1.00 0.00 C ATOM 855 C GLN A 61 0.630 11.192 6.026 1.00 0.00 C ATOM 856 O GLN A 61 1.200 11.554 7.053 1.00 0.00 O ATOM 857 CB GLN A 61 0.546 9.127 4.529 1.00 0.00 C ATOM 858 CG GLN A 61 -0.350 8.395 5.550 1.00 0.00 C ATOM 859 CD GLN A 61 0.273 8.070 6.906 1.00 0.00 C ATOM 860 OE1 GLN A 61 1.333 8.556 7.270 1.00 0.00 O ATOM 861 NE2 GLN A 61 -0.415 7.260 7.700 1.00 0.00 N ATOM 0 H GLN A 61 2.680 8.935 5.585 1.00 0.00 H new ATOM 0 HA GLN A 61 1.440 11.079 4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.090 9.417 3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.261 8.398 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.237 9.004 5.721 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.687 7.462 5.099 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.299 6.862 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.060 7.035 8.630 1.00 0.00 H new ATOM 870 N SER A 62 -0.664 11.447 5.802 1.00 0.00 N ATOM 871 CA SER A 62 -1.608 11.946 6.796 1.00 0.00 C ATOM 872 C SER A 62 -3.030 11.595 6.344 1.00 0.00 C ATOM 873 O SER A 62 -3.736 12.455 5.827 1.00 0.00 O ATOM 874 CB SER A 62 -1.452 13.464 6.971 1.00 0.00 C ATOM 875 OG SER A 62 -0.262 13.788 7.664 1.00 0.00 O ATOM 0 H SER A 62 -1.094 11.305 4.888 1.00 0.00 H new ATOM 0 HA SER A 62 -1.408 11.479 7.760 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.447 13.945 5.993 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.310 13.858 7.516 1.00 0.00 H new ATOM 0 HG SER A 62 0.342 13.016 7.655 1.00 0.00 H new ATOM 881 N PHE A 63 -3.458 10.339 6.517 1.00 0.00 N ATOM 882 CA PHE A 63 -4.840 9.952 6.247 1.00 0.00 C ATOM 883 C PHE A 63 -5.282 8.803 7.156 1.00 0.00 C ATOM 884 O PHE A 63 -6.175 9.022 7.969 1.00 0.00 O ATOM 885 CB PHE A 63 -5.089 9.684 4.752 1.00 0.00 C ATOM 886 CG PHE A 63 -6.433 9.068 4.410 1.00 0.00 C ATOM 887 CD1 PHE A 63 -7.588 9.366 5.165 1.00 0.00 C ATOM 888 CD2 PHE A 63 -6.495 8.073 3.419 1.00 0.00 C ATOM 889 CE1 PHE A 63 -8.726 8.552 5.060 1.00 0.00 C ATOM 890 CE2 PHE A 63 -7.641 7.275 3.305 1.00 0.00 C ATOM 891 CZ PHE A 63 -8.747 7.496 4.138 1.00 0.00 C ATOM 0 H PHE A 63 -2.864 9.576 6.843 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.478 10.801 6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.993 10.626 4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.303 9.024 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.596 10.221 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.662 7.924 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -9.584 8.739 5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.673 6.484 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.613 6.854 4.070 1.00 0.00 H new ATOM 901 N LEU A 64 -4.702 7.596 7.046 1.00 0.00 N ATOM 902 CA LEU A 64 -5.186 6.496 7.869 1.00 0.00 C ATOM 903 C LEU A 64 -5.050 6.832 9.348 1.00 0.00 C ATOM 904 O LEU A 64 -4.075 7.468 9.748 1.00 0.00 O ATOM 905 CB LEU A 64 -4.466 5.171 7.605 1.00 0.00 C ATOM 906 CG LEU A 64 -5.000 4.441 6.372 1.00 0.00 C ATOM 907 CD1 LEU A 64 -4.506 5.077 5.074 1.00 0.00 C ATOM 908 CD2 LEU A 64 -4.532 2.993 6.456 1.00 0.00 C ATOM 0 H LEU A 64 -3.929 7.370 6.420 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.233 6.366 7.595 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.401 5.361 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.571 4.526 8.477 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.088 4.504 6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.909 4.527 4.223 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.839 6.114 5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.417 5.044 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.897 2.442 5.589 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.443 2.963 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.922 2.537 7.366 1.00 0.00 H new ATOM 920 N ASP A 65 -6.008 6.359 10.142 1.00 0.00 N ATOM 921 CA ASP A 65 -5.996 6.541 11.582 1.00 0.00 C ATOM 922 C ASP A 65 -5.255 5.390 12.253 1.00 0.00 C ATOM 923 O ASP A 65 -5.061 4.327 11.656 1.00 0.00 O ATOM 924 CB ASP A 65 -7.426 6.629 12.125 1.00 0.00 C ATOM 925 CG ASP A 65 -8.281 7.651 11.391 1.00 0.00 C ATOM 926 OD1 ASP A 65 -8.225 8.835 11.786 1.00 0.00 O ATOM 927 OD2 ASP A 65 -8.977 7.218 10.446 1.00 0.00 O ATOM 0 H ASP A 65 -6.815 5.838 9.799 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.479 7.474 11.806 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.898 5.649 12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.391 6.886 13.184 1.00 0.00 H new ATOM 932 N ASP A 66 -4.898 5.585 13.525 1.00 0.00 N ATOM 933 CA ASP A 66 -4.274 4.585 14.379 1.00 0.00 C ATOM 934 C ASP A 66 -5.119 3.320 14.342 1.00 0.00 C ATOM 935 O ASP A 66 -4.603 2.213 14.204 1.00 0.00 O ATOM 936 CB ASP A 66 -4.198 5.109 15.822 1.00 0.00 C ATOM 937 CG ASP A 66 -3.296 6.324 15.957 1.00 0.00 C ATOM 938 OD1 ASP A 66 -3.672 7.363 15.369 1.00 0.00 O ATOM 939 OD2 ASP A 66 -2.263 6.199 16.649 1.00 0.00 O ATOM 0 H ASP A 66 -5.043 6.476 14.000 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.265 4.373 14.025 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.200 5.366 16.164 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.832 4.316 16.474 1.00 0.00 H new ATOM 944 N GLU A 67 -6.435 3.517 14.445 1.00 0.00 N ATOM 945 CA GLU A 67 -7.421 2.460 14.427 1.00 0.00 C ATOM 946 C GLU A 67 -7.222 1.604 13.185 1.00 0.00 C ATOM 947 O GLU A 67 -6.954 0.414 13.286 1.00 0.00 O ATOM 948 CB GLU A 67 -8.843 3.043 14.466 1.00 0.00 C ATOM 949 CG GLU A 67 -8.945 4.398 15.167 1.00 0.00 C ATOM 950 CD GLU A 67 -10.368 4.669 15.646 1.00 0.00 C ATOM 951 OE1 GLU A 67 -10.834 3.881 16.498 1.00 0.00 O ATOM 952 OE2 GLU A 67 -10.967 5.646 15.151 1.00 0.00 O ATOM 0 H GLU A 67 -6.845 4.446 14.546 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.294 1.837 15.312 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.210 3.146 13.445 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.500 2.335 14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.262 4.423 16.016 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.632 5.188 14.484 1.00 0.00 H new ATOM 959 N GLN A 68 -7.350 2.215 12.009 1.00 0.00 N ATOM 960 CA GLN A 68 -7.179 1.540 10.741 1.00 0.00 C ATOM 961 C GLN A 68 -5.827 0.821 10.667 1.00 0.00 C ATOM 962 O GLN A 68 -5.766 -0.360 10.322 1.00 0.00 O ATOM 963 CB GLN A 68 -7.354 2.559 9.619 1.00 0.00 C ATOM 964 CG GLN A 68 -8.782 3.101 9.632 1.00 0.00 C ATOM 965 CD GLN A 68 -8.918 4.310 8.735 1.00 0.00 C ATOM 966 OE1 GLN A 68 -7.938 4.972 8.418 1.00 0.00 O ATOM 967 NE2 GLN A 68 -10.131 4.571 8.286 1.00 0.00 N ATOM 0 H GLN A 68 -7.578 3.205 11.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.936 0.763 10.633 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.644 3.376 9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.140 2.094 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.472 2.323 9.305 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.063 3.368 10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.918 3.992 8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.281 5.352 7.647 1.00 0.00 H new ATOM 976 N MET A 69 -4.729 1.509 10.988 1.00 0.00 N ATOM 977 CA MET A 69 -3.427 0.865 11.028 1.00 0.00 C ATOM 978 C MET A 69 -3.465 -0.421 11.864 1.00 0.00 C ATOM 979 O MET A 69 -3.229 -1.508 11.332 1.00 0.00 O ATOM 980 CB MET A 69 -2.380 1.844 11.554 1.00 0.00 C ATOM 981 CG MET A 69 -2.184 3.067 10.657 1.00 0.00 C ATOM 982 SD MET A 69 -1.116 4.304 11.424 1.00 0.00 S ATOM 983 CE MET A 69 -1.241 5.576 10.168 1.00 0.00 C ATOM 0 H MET A 69 -4.721 2.502 11.221 1.00 0.00 H new ATOM 0 HA MET A 69 -3.151 0.575 10.014 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.673 2.177 12.550 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.428 1.324 11.659 1.00 0.00 H new ATOM 0 HG2 MET A 69 -1.752 2.754 9.707 1.00 0.00 H new ATOM 0 HG3 MET A 69 -3.154 3.513 10.435 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.729 6.476 10.509 1.00 0.00 H new ATOM 0 HE2 MET A 69 -0.779 5.224 9.246 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.291 5.803 9.984 1.00 0.00 H new ATOM 993 N ASP A 70 -3.806 -0.300 13.149 1.00 0.00 N ATOM 994 CA ASP A 70 -3.857 -1.410 14.098 1.00 0.00 C ATOM 995 C ASP A 70 -4.765 -2.527 13.578 1.00 0.00 C ATOM 996 O ASP A 70 -4.429 -3.709 13.612 1.00 0.00 O ATOM 997 CB ASP A 70 -4.381 -0.895 15.443 1.00 0.00 C ATOM 998 CG ASP A 70 -4.402 -2.012 16.476 1.00 0.00 C ATOM 999 OD1 ASP A 70 -3.316 -2.292 17.028 1.00 0.00 O ATOM 1000 OD2 ASP A 70 -5.501 -2.567 16.691 1.00 0.00 O ATOM 0 H ASP A 70 -4.060 0.595 13.567 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.854 -1.818 14.222 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.751 -0.079 15.796 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.385 -0.491 15.317 1.00 0.00 H new ATOM 1005 N ALA A 71 -5.910 -2.109 13.042 1.00 0.00 N ATOM 1006 CA ALA A 71 -6.949 -2.961 12.490 1.00 0.00 C ATOM 1007 C ALA A 71 -6.440 -3.787 11.306 1.00 0.00 C ATOM 1008 O ALA A 71 -7.038 -4.812 10.976 1.00 0.00 O ATOM 1009 CB ALA A 71 -8.127 -2.084 12.072 1.00 0.00 C ATOM 0 H ALA A 71 -6.145 -1.118 12.980 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.265 -3.672 13.253 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.916 -2.709 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.509 -1.549 12.942 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.798 -1.366 11.321 1.00 0.00 H new ATOM 1015 N GLY A 72 -5.356 -3.349 10.657 1.00 0.00 N ATOM 1016 CA GLY A 72 -4.678 -4.092 9.618 1.00 0.00 C ATOM 1017 C GLY A 72 -4.762 -3.350 8.300 1.00 0.00 C ATOM 1018 O GLY A 72 -4.864 -4.001 7.269 1.00 0.00 O ATOM 0 H GLY A 72 -4.925 -2.446 10.853 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.634 -4.243 9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.127 -5.080 9.516 1.00 0.00 H new ATOM 1022 N TYR A 73 -4.724 -2.015 8.300 1.00 0.00 N ATOM 1023 CA TYR A 73 -4.747 -1.221 7.079 1.00 0.00 C ATOM 1024 C TYR A 73 -3.459 -0.420 6.909 1.00 0.00 C ATOM 1025 O TYR A 73 -2.673 -0.276 7.842 1.00 0.00 O ATOM 1026 CB TYR A 73 -5.980 -0.325 7.050 1.00 0.00 C ATOM 1027 CG TYR A 73 -7.269 -1.111 7.031 1.00 0.00 C ATOM 1028 CD1 TYR A 73 -7.679 -1.741 5.845 1.00 0.00 C ATOM 1029 CD2 TYR A 73 -8.094 -1.160 8.166 1.00 0.00 C ATOM 1030 CE1 TYR A 73 -8.943 -2.341 5.774 1.00 0.00 C ATOM 1031 CE2 TYR A 73 -9.350 -1.780 8.103 1.00 0.00 C ATOM 1032 CZ TYR A 73 -9.797 -2.328 6.894 1.00 0.00 C ATOM 1033 OH TYR A 73 -10.989 -2.990 6.875 1.00 0.00 O ATOM 0 H TYR A 73 -4.676 -1.457 9.152 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.808 -1.902 6.230 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.970 0.329 7.922 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.937 0.317 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.021 -1.763 4.989 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.759 -0.718 9.093 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.263 -2.815 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.971 -1.835 8.985 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.122 -3.399 5.994 1.00 0.00 H new ATOM 1043 N VAL A 74 -3.226 0.085 5.699 1.00 0.00 N ATOM 1044 CA VAL A 74 -2.034 0.836 5.354 1.00 0.00 C ATOM 1045 C VAL A 74 -2.340 1.714 4.150 1.00 0.00 C ATOM 1046 O VAL A 74 -3.161 1.343 3.313 1.00 0.00 O ATOM 1047 CB VAL A 74 -0.890 -0.148 5.094 1.00 0.00 C ATOM 1048 CG1 VAL A 74 -1.094 -1.017 3.848 1.00 0.00 C ATOM 1049 CG2 VAL A 74 0.472 0.527 5.051 1.00 0.00 C ATOM 0 H VAL A 74 -3.876 -0.022 4.921 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.724 1.492 6.167 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.910 -0.815 5.956 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.243 -1.688 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.006 -1.603 3.959 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.178 -0.378 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.243 -0.221 4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.485 1.270 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.666 1.017 6.005 1.00 0.00 H new ATOM 1059 N LEU A 75 -1.693 2.874 4.059 1.00 0.00 N ATOM 1060 CA LEU A 75 -1.737 3.686 2.857 1.00 0.00 C ATOM 1061 C LEU A 75 -1.025 2.924 1.734 1.00 0.00 C ATOM 1062 O LEU A 75 -0.026 2.253 1.993 1.00 0.00 O ATOM 1063 CB LEU A 75 -1.042 5.021 3.140 1.00 0.00 C ATOM 1064 CG LEU A 75 -1.554 6.118 2.199 1.00 0.00 C ATOM 1065 CD1 LEU A 75 -2.840 6.761 2.735 1.00 0.00 C ATOM 1066 CD2 LEU A 75 -0.493 7.192 2.016 1.00 0.00 C ATOM 0 H LEU A 75 -1.130 3.270 4.812 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.765 3.886 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.217 5.314 4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.035 4.907 3.019 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.774 5.651 1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.176 7.534 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.614 6.000 2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.645 7.206 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.869 7.965 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.253 7.635 2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.405 6.747 1.588 1.00 0.00 H new ATOM 1078 N THR A 76 -1.532 2.984 0.499 1.00 0.00 N ATOM 1079 CA THR A 76 -0.887 2.288 -0.612 1.00 0.00 C ATOM 1080 C THR A 76 0.279 3.123 -1.159 1.00 0.00 C ATOM 1081 O THR A 76 1.326 2.581 -1.516 1.00 0.00 O ATOM 1082 CB THR A 76 -1.930 1.876 -1.663 1.00 0.00 C ATOM 1083 OG1 THR A 76 -1.388 0.888 -2.515 1.00 0.00 O ATOM 1084 CG2 THR A 76 -2.478 3.035 -2.499 1.00 0.00 C ATOM 0 H THR A 76 -2.375 3.500 0.248 1.00 0.00 H new ATOM 0 HA THR A 76 -0.440 1.356 -0.265 1.00 0.00 H new ATOM 0 HB THR A 76 -2.778 1.483 -1.102 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.070 0.211 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.207 2.655 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.958 3.761 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.660 3.515 -3.035 1.00 0.00 H new ATOM 1092 N CYS A 77 0.094 4.442 -1.215 1.00 0.00 N ATOM 1093 CA CYS A 77 1.135 5.408 -1.523 1.00 0.00 C ATOM 1094 C CYS A 77 1.978 5.640 -0.269 1.00 0.00 C ATOM 1095 O CYS A 77 1.664 5.097 0.789 1.00 0.00 O ATOM 1096 CB CYS A 77 0.496 6.709 -1.946 1.00 0.00 C ATOM 1097 SG CYS A 77 -0.978 6.621 -2.998 1.00 0.00 S ATOM 0 H CYS A 77 -0.813 4.875 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 77 1.766 5.034 -2.330 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.232 7.262 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.248 7.297 -2.471 1.00 0.00 H new ATOM 1102 N HIS A 78 3.002 6.498 -0.379 1.00 0.00 N ATOM 1103 CA HIS A 78 3.760 7.033 0.752 1.00 0.00 C ATOM 1104 C HIS A 78 4.065 5.941 1.781 1.00 0.00 C ATOM 1105 O HIS A 78 3.768 6.085 2.965 1.00 0.00 O ATOM 1106 CB HIS A 78 3.014 8.236 1.349 1.00 0.00 C ATOM 1107 CG HIS A 78 2.845 9.383 0.385 1.00 0.00 C ATOM 1108 ND1 HIS A 78 1.916 9.459 -0.627 1.00 0.00 N ATOM 1109 CD2 HIS A 78 3.608 10.520 0.334 1.00 0.00 C ATOM 1110 CE1 HIS A 78 2.134 10.603 -1.291 1.00 0.00 C ATOM 1111 NE2 HIS A 78 3.150 11.293 -0.742 1.00 0.00 N ATOM 0 H HIS A 78 3.331 6.845 -1.280 1.00 0.00 H new ATOM 0 HA HIS A 78 4.730 7.390 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.031 7.911 1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.554 8.588 2.228 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.417 10.775 1.003 1.00 0.00 H new ATOM 0 HE1 HIS A 78 1.569 10.928 -2.152 1.00 0.00 H new ATOM 0 HE2 HIS A 78 3.514 12.196 -1.047 1.00 0.00 H new ATOM 1119 N ALA A 79 4.620 4.831 1.289 1.00 0.00 N ATOM 1120 CA ALA A 79 4.743 3.583 2.019 1.00 0.00 C ATOM 1121 C ALA A 79 5.942 2.817 1.472 1.00 0.00 C ATOM 1122 O ALA A 79 5.997 2.563 0.270 1.00 0.00 O ATOM 1123 CB ALA A 79 3.457 2.770 1.851 1.00 0.00 C ATOM 0 H ALA A 79 5.004 4.782 0.345 1.00 0.00 H new ATOM 0 HA ALA A 79 4.894 3.773 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.546 1.831 2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.613 3.339 2.241 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.295 2.560 0.794 1.00 0.00 H new ATOM 1129 N TYR A 80 6.889 2.469 2.345 1.00 0.00 N ATOM 1130 CA TYR A 80 8.129 1.793 1.999 1.00 0.00 C ATOM 1131 C TYR A 80 8.141 0.379 2.583 1.00 0.00 C ATOM 1132 O TYR A 80 7.946 0.224 3.790 1.00 0.00 O ATOM 1133 CB TYR A 80 9.289 2.557 2.620 1.00 0.00 C ATOM 1134 CG TYR A 80 9.534 3.920 2.016 1.00 0.00 C ATOM 1135 CD1 TYR A 80 10.106 4.013 0.737 1.00 0.00 C ATOM 1136 CD2 TYR A 80 9.198 5.088 2.726 1.00 0.00 C ATOM 1137 CE1 TYR A 80 10.360 5.273 0.173 1.00 0.00 C ATOM 1138 CE2 TYR A 80 9.483 6.348 2.173 1.00 0.00 C ATOM 1139 CZ TYR A 80 10.093 6.438 0.910 1.00 0.00 C ATOM 1140 OH TYR A 80 10.383 7.660 0.381 1.00 0.00 O ATOM 0 H TYR A 80 6.806 2.659 3.344 1.00 0.00 H new ATOM 0 HA TYR A 80 8.216 1.748 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.101 2.675 3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.196 1.961 2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 80 10.350 3.116 0.188 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.723 5.016 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 80 10.761 5.346 -0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.234 7.246 2.718 1.00 0.00 H new ATOM 0 HH TYR A 80 9.640 7.956 -0.186 1.00 0.00 H new ATOM 1150 N PRO A 81 8.379 -0.656 1.768 1.00 0.00 N ATOM 1151 CA PRO A 81 8.399 -2.027 2.240 1.00 0.00 C ATOM 1152 C PRO A 81 9.659 -2.325 3.055 1.00 0.00 C ATOM 1153 O PRO A 81 10.765 -2.193 2.544 1.00 0.00 O ATOM 1154 CB PRO A 81 8.267 -2.913 1.002 1.00 0.00 C ATOM 1155 CG PRO A 81 8.539 -1.995 -0.190 1.00 0.00 C ATOM 1156 CD PRO A 81 8.557 -0.567 0.332 1.00 0.00 C ATOM 0 HA PRO A 81 7.575 -2.222 2.927 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.979 -3.738 1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.272 -3.353 0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 81 9.491 -2.245 -0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.768 -2.116 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 81 9.498 -0.075 0.087 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.761 0.023 -0.123 1.00 0.00 H new ATOM 1164 N THR A 82 9.503 -2.736 4.320 1.00 0.00 N ATOM 1165 CA THR A 82 10.636 -2.964 5.218 1.00 0.00 C ATOM 1166 C THR A 82 11.071 -4.431 5.254 1.00 0.00 C ATOM 1167 O THR A 82 12.174 -4.741 5.704 1.00 0.00 O ATOM 1168 CB THR A 82 10.327 -2.418 6.617 1.00 0.00 C ATOM 1169 OG1 THR A 82 9.200 -3.032 7.217 1.00 0.00 O ATOM 1170 CG2 THR A 82 10.125 -0.902 6.542 1.00 0.00 C ATOM 0 H THR A 82 8.594 -2.918 4.745 1.00 0.00 H new ATOM 0 HA THR A 82 11.489 -2.413 4.820 1.00 0.00 H new ATOM 0 HB THR A 82 11.182 -2.654 7.251 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.609 -3.384 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.905 -0.515 7.537 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.032 -0.432 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.293 -0.678 5.874 1.00 0.00 H new ATOM 1178 N SER A 83 10.221 -5.337 4.775 1.00 0.00 N ATOM 1179 CA SER A 83 10.508 -6.748 4.567 1.00 0.00 C ATOM 1180 C SER A 83 9.520 -7.225 3.509 1.00 0.00 C ATOM 1181 O SER A 83 8.779 -6.405 2.961 1.00 0.00 O ATOM 1182 CB SER A 83 10.363 -7.521 5.887 1.00 0.00 C ATOM 1183 OG SER A 83 11.397 -7.171 6.788 1.00 0.00 O ATOM 0 H SER A 83 9.267 -5.091 4.509 1.00 0.00 H new ATOM 0 HA SER A 83 11.532 -6.916 4.232 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.394 -7.305 6.336 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.392 -8.593 5.691 1.00 0.00 H new ATOM 0 HG SER A 83 11.855 -6.368 6.464 1.00 0.00 H new ATOM 1189 N ASP A 84 9.493 -8.526 3.224 1.00 0.00 N ATOM 1190 CA ASP A 84 8.403 -9.132 2.483 1.00 0.00 C ATOM 1191 C ASP A 84 7.094 -8.818 3.198 1.00 0.00 C ATOM 1192 O ASP A 84 7.042 -8.725 4.425 1.00 0.00 O ATOM 1193 CB ASP A 84 8.638 -10.641 2.339 1.00 0.00 C ATOM 1194 CG ASP A 84 8.872 -11.311 3.687 1.00 0.00 C ATOM 1195 OD1 ASP A 84 9.864 -10.902 4.337 1.00 0.00 O ATOM 1196 OD2 ASP A 84 8.073 -12.205 4.032 1.00 0.00 O ATOM 0 H ASP A 84 10.224 -9.181 3.501 1.00 0.00 H new ATOM 0 HA ASP A 84 8.351 -8.722 1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 84 7.777 -11.098 1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.499 -10.814 1.693 1.00 0.00 H new ATOM 1201 N VAL A 85 6.050 -8.577 2.410 1.00 0.00 N ATOM 1202 CA VAL A 85 4.765 -8.132 2.923 1.00 0.00 C ATOM 1203 C VAL A 85 3.650 -8.574 1.983 1.00 0.00 C ATOM 1204 O VAL A 85 3.838 -8.720 0.776 1.00 0.00 O ATOM 1205 CB VAL A 85 4.791 -6.613 3.214 1.00 0.00 C ATOM 1206 CG1 VAL A 85 5.399 -5.827 2.051 1.00 0.00 C ATOM 1207 CG2 VAL A 85 3.407 -6.030 3.534 1.00 0.00 C ATOM 0 H VAL A 85 6.075 -8.686 1.396 1.00 0.00 H new ATOM 0 HA VAL A 85 4.557 -8.606 3.883 1.00 0.00 H new ATOM 0 HB VAL A 85 5.415 -6.507 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.400 -4.764 2.292 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.422 -6.162 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.808 -5.994 1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.498 -4.961 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.740 -6.189 2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.999 -6.525 4.415 1.00 0.00 H new ATOM 1217 N VAL A 86 2.477 -8.814 2.564 1.00 0.00 N ATOM 1218 CA VAL A 86 1.273 -9.155 1.847 1.00 0.00 C ATOM 1219 C VAL A 86 0.269 -8.094 2.255 1.00 0.00 C ATOM 1220 O VAL A 86 0.038 -7.905 3.452 1.00 0.00 O ATOM 1221 CB VAL A 86 0.817 -10.568 2.243 1.00 0.00 C ATOM 1222 CG1 VAL A 86 -0.420 -10.999 1.447 1.00 0.00 C ATOM 1223 CG2 VAL A 86 1.934 -11.592 1.992 1.00 0.00 C ATOM 0 H VAL A 86 2.345 -8.773 3.575 1.00 0.00 H new ATOM 0 HA VAL A 86 1.404 -9.172 0.765 1.00 0.00 H new ATOM 0 HB VAL A 86 0.572 -10.536 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.717 -12.003 1.751 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.238 -10.305 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.187 -10.997 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.589 -12.585 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.197 -11.592 0.934 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.810 -11.327 2.584 1.00 0.00 H new ATOM 1233 N ILE A 87 -0.295 -7.388 1.279 1.00 0.00 N ATOM 1234 CA ILE A 87 -1.330 -6.404 1.489 1.00 0.00 C ATOM 1235 C ILE A 87 -2.410 -6.609 0.427 1.00 0.00 C ATOM 1236 O ILE A 87 -2.122 -7.108 -0.660 1.00 0.00 O ATOM 1237 CB ILE A 87 -0.693 -4.999 1.533 1.00 0.00 C ATOM 1238 CG1 ILE A 87 -1.686 -3.837 1.440 1.00 0.00 C ATOM 1239 CG2 ILE A 87 0.477 -4.786 0.569 1.00 0.00 C ATOM 1240 CD1 ILE A 87 -1.906 -3.475 -0.020 1.00 0.00 C ATOM 0 H ILE A 87 -0.032 -7.494 0.299 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.831 -6.516 2.450 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.277 -4.982 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -2.632 -4.115 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.305 -2.974 1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.856 -3.769 0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.272 -5.495 0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.138 -4.942 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.613 -2.648 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.958 -3.179 -0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.306 -4.338 -0.553 1.00 0.00 H new ATOM 1252 N GLU A 88 -3.651 -6.226 0.729 1.00 0.00 N ATOM 1253 CA GLU A 88 -4.735 -6.160 -0.241 1.00 0.00 C ATOM 1254 C GLU A 88 -4.965 -4.715 -0.657 1.00 0.00 C ATOM 1255 O GLU A 88 -5.151 -3.878 0.220 1.00 0.00 O ATOM 1256 CB GLU A 88 -6.040 -6.677 0.354 1.00 0.00 C ATOM 1257 CG GLU A 88 -6.015 -7.959 1.178 1.00 0.00 C ATOM 1258 CD GLU A 88 -7.405 -8.198 1.752 1.00 0.00 C ATOM 1259 OE1 GLU A 88 -8.358 -8.209 0.938 1.00 0.00 O ATOM 1260 OE2 GLU A 88 -7.532 -8.232 2.992 1.00 0.00 O ATOM 0 H GLU A 88 -3.932 -5.949 1.670 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.449 -6.776 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.451 -5.888 0.984 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.741 -6.826 -0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.713 -8.802 0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.283 -7.877 1.982 1.00 0.00 H new ATOM 1267 N THR A 89 -5.003 -4.413 -1.954 1.00 0.00 N ATOM 1268 CA THR A 89 -5.264 -3.049 -2.417 1.00 0.00 C ATOM 1269 C THR A 89 -6.779 -2.801 -2.498 1.00 0.00 C ATOM 1270 O THR A 89 -7.563 -3.712 -2.239 1.00 0.00 O ATOM 1271 CB THR A 89 -4.556 -2.785 -3.751 1.00 0.00 C ATOM 1272 OG1 THR A 89 -5.115 -3.560 -4.784 1.00 0.00 O ATOM 1273 CG2 THR A 89 -3.054 -3.035 -3.652 1.00 0.00 C ATOM 0 H THR A 89 -4.857 -5.091 -2.702 1.00 0.00 H new ATOM 0 HA THR A 89 -4.854 -2.340 -1.698 1.00 0.00 H new ATOM 0 HB THR A 89 -4.705 -1.732 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.006 -3.217 -5.005 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.588 -2.837 -4.617 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.624 -2.374 -2.899 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.876 -4.072 -3.369 1.00 0.00 H new ATOM 1281 N HIS A 90 -7.188 -1.584 -2.880 1.00 0.00 N ATOM 1282 CA HIS A 90 -8.584 -1.203 -3.105 1.00 0.00 C ATOM 1283 C HIS A 90 -9.393 -1.303 -1.808 1.00 0.00 C ATOM 1284 O HIS A 90 -10.367 -2.050 -1.743 1.00 0.00 O ATOM 1285 CB HIS A 90 -9.232 -2.015 -4.249 1.00 0.00 C ATOM 1286 CG HIS A 90 -8.532 -1.948 -5.585 1.00 0.00 C ATOM 1287 ND1 HIS A 90 -7.211 -2.233 -5.810 1.00 0.00 N ATOM 1288 CD2 HIS A 90 -9.122 -1.806 -6.814 1.00 0.00 C ATOM 1289 CE1 HIS A 90 -6.997 -2.267 -7.130 1.00 0.00 C ATOM 1290 NE2 HIS A 90 -8.138 -2.010 -7.789 1.00 0.00 N ATOM 0 H HIS A 90 -6.536 -0.817 -3.045 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.591 -0.161 -3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.287 -3.059 -3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -10.257 -1.667 -4.380 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.161 -1.577 -6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.045 -2.471 -7.597 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.263 -1.971 -8.801 1.00 0.00 H new ATOM 1298 N LYS A 91 -8.978 -0.571 -0.762 1.00 0.00 N ATOM 1299 CA LYS A 91 -9.606 -0.608 0.564 1.00 0.00 C ATOM 1300 C LYS A 91 -9.991 0.790 1.037 1.00 0.00 C ATOM 1301 O LYS A 91 -10.461 0.988 2.160 1.00 0.00 O ATOM 1302 CB LYS A 91 -8.674 -1.308 1.555 1.00 0.00 C ATOM 1303 CG LYS A 91 -8.232 -2.666 0.999 1.00 0.00 C ATOM 1304 CD LYS A 91 -9.405 -3.627 0.931 1.00 0.00 C ATOM 1305 CE LYS A 91 -9.122 -4.901 0.137 1.00 0.00 C ATOM 1306 NZ LYS A 91 -9.732 -6.071 0.803 1.00 0.00 N ATOM 0 H LYS A 91 -8.187 0.071 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.532 -1.179 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.801 -0.684 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.183 -1.446 2.509 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.805 -2.536 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.449 -3.085 1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.696 -3.901 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.256 -3.114 0.483 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.518 -4.803 -0.874 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.046 -5.048 0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.129 -6.906 0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.824 -5.882 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.673 -6.250 0.398 1.00 0.00 H new ATOM 1320 N GLU A 92 -9.815 1.749 0.137 1.00 0.00 N ATOM 1321 CA GLU A 92 -10.153 3.138 0.253 1.00 0.00 C ATOM 1322 C GLU A 92 -11.562 3.309 0.831 1.00 0.00 C ATOM 1323 O GLU A 92 -11.724 3.921 1.884 1.00 0.00 O ATOM 1324 CB GLU A 92 -9.938 3.678 -1.165 1.00 0.00 C ATOM 1325 CG GLU A 92 -10.785 3.014 -2.265 1.00 0.00 C ATOM 1326 CD GLU A 92 -10.089 3.094 -3.612 1.00 0.00 C ATOM 1327 OE1 GLU A 92 -10.205 4.154 -4.260 1.00 0.00 O ATOM 1328 OE2 GLU A 92 -9.441 2.081 -3.948 1.00 0.00 O ATOM 0 H GLU A 92 -9.394 1.542 -0.769 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.544 3.704 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.150 4.747 -1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.885 3.563 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.968 1.971 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.757 3.503 -2.325 1.00 0.00 H new ATOM 1335 N GLU A 93 -12.560 2.692 0.191 1.00 0.00 N ATOM 1336 CA GLU A 93 -13.947 2.681 0.637 1.00 0.00 C ATOM 1337 C GLU A 93 -14.263 1.449 1.504 1.00 0.00 C ATOM 1338 O GLU A 93 -15.385 0.947 1.471 1.00 0.00 O ATOM 1339 CB GLU A 93 -14.871 2.755 -0.591 1.00 0.00 C ATOM 1340 CG GLU A 93 -14.763 4.093 -1.338 1.00 0.00 C ATOM 1341 CD GLU A 93 -15.642 4.139 -2.587 1.00 0.00 C ATOM 1342 OE1 GLU A 93 -16.222 3.084 -2.929 1.00 0.00 O ATOM 1343 OE2 GLU A 93 -15.724 5.239 -3.176 1.00 0.00 O ATOM 0 H GLU A 93 -12.416 2.173 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 93 -14.118 3.552 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -14.625 1.942 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.903 2.604 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -15.048 4.904 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.725 4.264 -1.622 1.00 0.00 H new ATOM 1350 N GLU A 94 -13.294 0.958 2.286 1.00 0.00 N ATOM 1351 CA GLU A 94 -13.495 -0.042 3.318 1.00 0.00 C ATOM 1352 C GLU A 94 -13.011 0.544 4.656 1.00 0.00 C ATOM 1353 O GLU A 94 -13.646 0.321 5.682 1.00 0.00 O ATOM 1354 CB GLU A 94 -12.826 -1.363 2.880 1.00 0.00 C ATOM 1355 CG GLU A 94 -12.293 -2.173 4.057 1.00 0.00 C ATOM 1356 CD GLU A 94 -11.843 -3.590 3.705 1.00 0.00 C ATOM 1357 OE1 GLU A 94 -11.939 -4.000 2.530 1.00 0.00 O ATOM 1358 OE2 GLU A 94 -11.366 -4.251 4.657 1.00 0.00 O ATOM 0 H GLU A 94 -12.323 1.261 2.208 1.00 0.00 H new ATOM 0 HA GLU A 94 -14.545 -0.296 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -13.548 -1.965 2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -12.006 -1.141 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.452 -1.638 4.497 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -13.068 -2.232 4.821 1.00 0.00 H new ATOM 1365 N ILE A 95 -11.895 1.289 4.665 1.00 0.00 N ATOM 1366 CA ILE A 95 -11.380 1.886 5.888 1.00 0.00 C ATOM 1367 C ILE A 95 -12.262 2.998 6.469 1.00 0.00 C ATOM 1368 O ILE A 95 -12.348 3.111 7.692 1.00 0.00 O ATOM 1369 CB ILE A 95 -9.914 2.311 5.719 1.00 0.00 C ATOM 1370 CG1 ILE A 95 -9.734 3.403 4.662 1.00 0.00 C ATOM 1371 CG2 ILE A 95 -9.062 1.085 5.398 1.00 0.00 C ATOM 1372 CD1 ILE A 95 -8.409 4.131 4.837 1.00 0.00 C ATOM 0 H ILE A 95 -11.338 1.487 3.834 1.00 0.00 H new ATOM 0 HA ILE A 95 -11.414 1.103 6.645 1.00 0.00 H new ATOM 0 HB ILE A 95 -9.582 2.747 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -9.779 2.960 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.555 4.117 4.730 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.021 1.386 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.140 0.365 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.416 0.628 4.474 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -8.312 4.900 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -8.376 4.595 5.823 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -7.588 3.420 4.743 1.00 0.00 H new ATOM 1384 N VAL A 96 -12.848 3.842 5.616 1.00 0.00 N ATOM 1385 CA VAL A 96 -13.666 4.968 6.055 1.00 0.00 C ATOM 1386 C VAL A 96 -15.059 4.482 6.469 1.00 0.00 C ATOM 1387 O VAL A 96 -15.506 3.460 5.901 1.00 0.00 O ATOM 1388 CB VAL A 96 -13.745 6.061 4.973 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -12.367 6.676 4.689 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -14.363 5.556 3.663 1.00 0.00 C ATOM 1391 OXT VAL A 96 -15.666 5.159 7.327 1.00 0.00 O ATOM 0 H VAL A 96 -12.767 3.761 4.602 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.191 5.418 6.926 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.403 6.830 5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.462 7.443 3.920 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -11.973 7.124 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.686 5.899 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.393 6.369 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.760 4.739 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.376 5.201 3.852 1.00 0.00 H new TER 1401 VAL A 96 HETATM 1402 FE1 FES A 97 -3.271 10.064 -1.719 1.00 0.00 FE HETATM 1403 FE2 FES A 97 -2.573 7.650 -1.738 1.00 0.00 FE HETATM 1404 S1 FES A 97 -4.080 8.507 -2.985 1.00 0.00 S HETATM 1405 S2 FES A 97 -1.519 9.283 -0.724 1.00 0.00 S