USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 644 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 Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.239 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.702 (180deg=-2.09!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -122:sc= -2.69! USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00119) USER MOD Single : A 53 SER OG : rot 65:sc= 0.0287 USER MOD Single : A 56 THR OG1 : rot 160:sc= -0.188 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -86:sc= -3.78! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 172:sc= -0.374 (180deg=-0.432) USER MOD Single : A 86 THR OG1 : rot 98:sc= 1.23 USER MOD Single : A 88 CYS SG : rot -38:sc= 0.115 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.11) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 16 -8.586 -0.279 6.017 1.00 2.98 N ATOM 2 CA PRO A 16 -8.628 0.982 6.754 1.00 2.98 C ATOM 3 C PRO A 16 -7.588 2.001 6.229 1.00 3.07 C ATOM 4 O PRO A 16 -6.528 1.626 5.683 1.00 3.73 O ATOM 5 CB PRO A 16 -8.301 0.559 8.200 1.00 3.37 C ATOM 6 CG PRO A 16 -7.521 -0.698 8.044 1.00 3.63 C ATOM 7 CD PRO A 16 -8.122 -1.391 6.861 1.00 3.28 C ATOM 0 HA PRO A 16 -9.589 1.486 6.655 1.00 2.98 H new ATOM 0 HB2 PRO A 16 -7.723 1.325 8.718 1.00 3.37 H new ATOM 0 HB3 PRO A 16 -9.208 0.395 8.782 1.00 3.37 H new ATOM 0 HG2 PRO A 16 -6.464 -0.487 7.881 1.00 3.63 H new ATOM 0 HG3 PRO A 16 -7.589 -1.317 8.939 1.00 3.63 H new ATOM 0 HD2 PRO A 16 -7.390 -2.011 6.343 1.00 3.28 H new ATOM 0 HD3 PRO A 16 -8.944 -2.045 7.153 1.00 3.28 H new ATOM 15 N TYR A 17 -7.887 3.276 6.402 1.00 2.86 N ATOM 16 CA TYR A 17 -7.009 4.336 5.941 1.00 3.15 C ATOM 17 C TYR A 17 -5.836 4.491 6.904 1.00 2.43 C ATOM 18 O TYR A 17 -5.927 5.204 7.889 1.00 2.82 O ATOM 19 CB TYR A 17 -7.790 5.666 5.796 1.00 4.19 C ATOM 20 CG TYR A 17 -6.997 6.828 5.215 1.00 5.00 C ATOM 21 CD1 TYR A 17 -6.819 6.968 3.843 1.00 5.51 C ATOM 22 CD2 TYR A 17 -6.411 7.767 6.045 1.00 5.52 C ATOM 23 CE1 TYR A 17 -6.084 8.017 3.317 1.00 6.49 C ATOM 24 CE2 TYR A 17 -5.669 8.811 5.527 1.00 6.48 C ATOM 25 CZ TYR A 17 -5.580 8.970 4.146 1.00 6.96 C ATOM 26 OH TYR A 17 -4.770 9.977 3.651 1.00 8.04 O ATOM 0 H TYR A 17 -8.737 3.604 6.861 1.00 2.86 H new ATOM 0 HA TYR A 17 -6.618 4.072 4.958 1.00 3.15 H new ATOM 0 HB2 TYR A 17 -8.660 5.490 5.164 1.00 4.19 H new ATOM 0 HB3 TYR A 17 -8.163 5.958 6.778 1.00 4.19 H new ATOM 0 HD1 TYR A 17 -7.263 6.245 3.175 1.00 5.51 H new ATOM 0 HD2 TYR A 17 -6.536 7.683 7.114 1.00 5.52 H new ATOM 0 HE1 TYR A 17 -5.912 8.078 2.253 1.00 6.49 H new ATOM 0 HE2 TYR A 17 -5.162 9.499 6.188 1.00 6.48 H new ATOM 0 HH TYR A 17 -4.501 10.570 4.383 1.00 8.04 H new ATOM 36 N ILE A 18 -4.761 3.761 6.632 1.00 1.98 N ATOM 37 CA ILE A 18 -3.587 3.806 7.483 1.00 1.60 C ATOM 38 C ILE A 18 -2.411 4.527 6.813 1.00 1.32 C ATOM 39 O ILE A 18 -2.147 5.699 7.079 1.00 1.96 O ATOM 40 CB ILE A 18 -3.174 2.388 7.949 1.00 2.09 C ATOM 41 CG1 ILE A 18 -4.342 1.763 8.719 1.00 2.89 C ATOM 42 CG2 ILE A 18 -1.913 2.455 8.844 1.00 2.23 C ATOM 43 CD1 ILE A 18 -4.060 0.383 9.225 1.00 3.81 C ATOM 0 H ILE A 18 -4.682 3.134 5.831 1.00 1.98 H new ATOM 0 HA ILE A 18 -3.860 4.387 8.364 1.00 1.60 H new ATOM 0 HB ILE A 18 -2.935 1.774 7.080 1.00 2.09 H new ATOM 0 HG12 ILE A 18 -4.594 2.405 9.563 1.00 2.89 H new ATOM 0 HG13 ILE A 18 -5.217 1.731 8.070 1.00 2.89 H new ATOM 0 HG21 ILE A 18 -1.638 1.449 9.162 1.00 2.23 H new ATOM 0 HG22 ILE A 18 -1.090 2.895 8.281 1.00 2.23 H new ATOM 0 HG23 ILE A 18 -2.121 3.068 9.721 1.00 2.23 H new ATOM 0 HD11 ILE A 18 -4.932 0.006 9.759 1.00 3.81 H new ATOM 0 HD12 ILE A 18 -3.837 -0.274 8.384 1.00 3.81 H new ATOM 0 HD13 ILE A 18 -3.205 0.411 9.900 1.00 3.81 H new ATOM 55 N GLY A 19 -1.757 3.842 5.918 1.00 1.07 N ATOM 56 CA GLY A 19 -0.577 4.390 5.286 1.00 0.82 C ATOM 57 C GLY A 19 -0.797 4.806 3.845 1.00 0.70 C ATOM 58 O GLY A 19 -1.958 4.926 3.366 1.00 1.05 O ATOM 0 H GLY A 19 -2.015 2.906 5.606 1.00 1.07 H new ATOM 0 HA2 GLY A 19 -0.238 5.254 5.857 1.00 0.82 H new ATOM 0 HA3 GLY A 19 0.222 3.649 5.324 1.00 0.82 H new ATOM 62 N SER A 20 0.300 5.011 3.150 1.00 0.60 N ATOM 63 CA SER A 20 0.301 5.439 1.765 1.00 0.70 C ATOM 64 C SER A 20 0.283 4.218 0.856 1.00 0.53 C ATOM 65 O SER A 20 0.865 3.178 1.198 1.00 0.89 O ATOM 66 CB SER A 20 1.545 6.284 1.499 1.00 1.22 C ATOM 67 OG SER A 20 1.626 7.356 2.423 1.00 1.81 O ATOM 0 H SER A 20 1.235 4.883 3.537 1.00 0.60 H new ATOM 0 HA SER A 20 -0.585 6.040 1.562 1.00 0.70 H new ATOM 0 HB2 SER A 20 2.437 5.662 1.576 1.00 1.22 H new ATOM 0 HB3 SER A 20 1.515 6.675 0.482 1.00 1.22 H new ATOM 0 HG SER A 20 2.430 7.886 2.239 1.00 1.81 H new ATOM 73 N LYS A 21 -0.376 4.328 -0.268 1.00 0.67 N ATOM 74 CA LYS A 21 -0.534 3.209 -1.166 1.00 0.88 C ATOM 75 C LYS A 21 0.590 3.237 -2.163 1.00 0.70 C ATOM 76 O LYS A 21 0.707 4.166 -2.955 1.00 1.07 O ATOM 77 CB LYS A 21 -1.919 3.232 -1.856 1.00 1.67 C ATOM 78 CG LYS A 21 -3.143 3.072 -0.911 1.00 2.31 C ATOM 79 CD LYS A 21 -3.253 4.207 0.112 1.00 3.10 C ATOM 80 CE LYS A 21 -4.420 4.037 1.043 1.00 3.78 C ATOM 81 NZ LYS A 21 -4.449 5.130 2.046 1.00 4.35 N ATOM 0 H LYS A 21 -0.817 5.190 -0.588 1.00 0.67 H new ATOM 0 HA LYS A 21 -0.491 2.276 -0.604 1.00 0.88 H new ATOM 0 HB2 LYS A 21 -2.020 4.173 -2.396 1.00 1.67 H new ATOM 0 HB3 LYS A 21 -1.949 2.434 -2.598 1.00 1.67 H new ATOM 0 HG2 LYS A 21 -4.055 3.036 -1.507 1.00 2.31 H new ATOM 0 HG3 LYS A 21 -3.069 2.120 -0.385 1.00 2.31 H new ATOM 0 HD2 LYS A 21 -2.333 4.256 0.694 1.00 3.10 H new ATOM 0 HD3 LYS A 21 -3.348 5.157 -0.414 1.00 3.10 H new ATOM 0 HE2 LYS A 21 -5.349 4.033 0.474 1.00 3.78 H new ATOM 0 HE3 LYS A 21 -4.352 3.074 1.548 1.00 3.78 H new ATOM 0 HZ1 LYS A 21 -5.252 4.987 2.692 1.00 4.35 H new ATOM 0 HZ2 LYS A 21 -3.562 5.126 2.590 1.00 4.35 H new ATOM 0 HZ3 LYS A 21 -4.553 6.044 1.561 1.00 4.35 H new ATOM 95 N ILE A 22 1.436 2.252 -2.101 1.00 0.48 N ATOM 96 CA ILE A 22 2.627 2.247 -2.897 1.00 0.59 C ATOM 97 C ILE A 22 3.086 0.829 -3.207 1.00 0.43 C ATOM 98 O ILE A 22 2.822 -0.111 -2.440 1.00 0.51 O ATOM 99 CB ILE A 22 3.746 3.058 -2.148 1.00 1.12 C ATOM 100 CG1 ILE A 22 5.089 3.017 -2.870 1.00 1.51 C ATOM 101 CG2 ILE A 22 3.892 2.574 -0.729 1.00 1.77 C ATOM 102 CD1 ILE A 22 6.138 3.903 -2.246 1.00 2.41 C ATOM 0 H ILE A 22 1.321 1.435 -1.502 1.00 0.48 H new ATOM 0 HA ILE A 22 2.417 2.723 -3.855 1.00 0.59 H new ATOM 0 HB ILE A 22 3.426 4.100 -2.139 1.00 1.12 H new ATOM 0 HG12 ILE A 22 5.454 1.990 -2.883 1.00 1.51 H new ATOM 0 HG13 ILE A 22 4.943 3.316 -3.908 1.00 1.51 H new ATOM 0 HG21 ILE A 22 4.671 3.148 -0.227 1.00 1.77 H new ATOM 0 HG22 ILE A 22 2.948 2.705 -0.201 1.00 1.77 H new ATOM 0 HG23 ILE A 22 4.163 1.518 -0.731 1.00 1.77 H new ATOM 0 HD11 ILE A 22 7.066 3.823 -2.812 1.00 2.41 H new ATOM 0 HD12 ILE A 22 5.794 4.937 -2.258 1.00 2.41 H new ATOM 0 HD13 ILE A 22 6.313 3.590 -1.217 1.00 2.41 H new ATOM 114 N SER A 23 3.729 0.686 -4.334 1.00 0.44 N ATOM 115 CA SER A 23 4.302 -0.546 -4.749 1.00 0.38 C ATOM 116 C SER A 23 5.807 -0.447 -4.534 1.00 0.34 C ATOM 117 O SER A 23 6.440 0.527 -4.968 1.00 0.52 O ATOM 118 CB SER A 23 3.996 -0.773 -6.222 1.00 0.53 C ATOM 119 OG SER A 23 2.593 -0.718 -6.454 1.00 1.33 O ATOM 0 H SER A 23 3.867 1.447 -4.999 1.00 0.44 H new ATOM 0 HA SER A 23 3.893 -1.380 -4.179 1.00 0.38 H new ATOM 0 HB2 SER A 23 4.500 -0.018 -6.825 1.00 0.53 H new ATOM 0 HB3 SER A 23 4.385 -1.742 -6.535 1.00 0.53 H new ATOM 0 HG SER A 23 2.413 -0.864 -7.406 1.00 1.33 H new ATOM 125 N LEU A 24 6.358 -1.403 -3.854 1.00 0.34 N ATOM 126 CA LEU A 24 7.766 -1.419 -3.580 1.00 0.37 C ATOM 127 C LEU A 24 8.387 -2.689 -4.083 1.00 0.35 C ATOM 128 O LEU A 24 7.884 -3.780 -3.822 1.00 0.50 O ATOM 129 CB LEU A 24 8.013 -1.241 -2.070 1.00 0.56 C ATOM 130 CG LEU A 24 9.453 -1.394 -1.574 1.00 0.77 C ATOM 131 CD1 LEU A 24 10.372 -0.439 -2.292 1.00 1.20 C ATOM 132 CD2 LEU A 24 9.516 -1.163 -0.076 1.00 1.45 C ATOM 0 H LEU A 24 5.846 -2.197 -3.471 1.00 0.34 H new ATOM 0 HA LEU A 24 8.237 -0.587 -4.105 1.00 0.37 H new ATOM 0 HB2 LEU A 24 7.661 -0.250 -1.785 1.00 0.56 H new ATOM 0 HB3 LEU A 24 7.394 -1.964 -1.539 1.00 0.56 H new ATOM 0 HG LEU A 24 9.785 -2.410 -1.789 1.00 0.77 H new ATOM 0 HD11 LEU A 24 11.390 -0.566 -1.923 1.00 1.20 H new ATOM 0 HD12 LEU A 24 10.346 -0.644 -3.362 1.00 1.20 H new ATOM 0 HD13 LEU A 24 10.046 0.585 -2.111 1.00 1.20 H new ATOM 0 HD21 LEU A 24 10.545 -1.274 0.266 1.00 1.45 H new ATOM 0 HD22 LEU A 24 9.164 -0.157 0.152 1.00 1.45 H new ATOM 0 HD23 LEU A 24 8.884 -1.892 0.431 1.00 1.45 H new ATOM 144 N ILE A 25 9.437 -2.555 -4.838 1.00 0.29 N ATOM 145 CA ILE A 25 10.171 -3.705 -5.261 1.00 0.28 C ATOM 146 C ILE A 25 11.437 -3.791 -4.456 1.00 0.25 C ATOM 147 O ILE A 25 12.220 -2.832 -4.407 1.00 0.29 O ATOM 148 CB ILE A 25 10.536 -3.693 -6.771 1.00 0.32 C ATOM 149 CG1 ILE A 25 9.272 -3.573 -7.629 1.00 0.39 C ATOM 150 CG2 ILE A 25 11.299 -4.986 -7.121 1.00 0.34 C ATOM 151 CD1 ILE A 25 9.540 -3.516 -9.125 1.00 0.72 C ATOM 0 H ILE A 25 9.802 -1.663 -5.171 1.00 0.29 H new ATOM 0 HA ILE A 25 9.526 -4.569 -5.101 1.00 0.28 H new ATOM 0 HB ILE A 25 11.170 -2.831 -6.979 1.00 0.32 H new ATOM 0 HG12 ILE A 25 8.622 -4.422 -7.419 1.00 0.39 H new ATOM 0 HG13 ILE A 25 8.729 -2.675 -7.334 1.00 0.39 H new ATOM 0 HG21 ILE A 25 11.557 -4.981 -8.180 1.00 0.34 H new ATOM 0 HG22 ILE A 25 12.210 -5.043 -6.526 1.00 0.34 H new ATOM 0 HG23 ILE A 25 10.670 -5.850 -6.905 1.00 0.34 H new ATOM 0 HD11 ILE A 25 8.595 -3.431 -9.661 1.00 0.72 H new ATOM 0 HD12 ILE A 25 10.163 -2.651 -9.350 1.00 0.72 H new ATOM 0 HD13 ILE A 25 10.054 -4.425 -9.437 1.00 0.72 H new ATOM 163 N SER A 26 11.634 -4.911 -3.818 1.00 0.27 N ATOM 164 CA SER A 26 12.822 -5.142 -3.058 1.00 0.31 C ATOM 165 C SER A 26 13.934 -5.536 -4.013 1.00 0.29 C ATOM 166 O SER A 26 13.660 -5.965 -5.136 1.00 0.28 O ATOM 167 CB SER A 26 12.566 -6.256 -2.043 1.00 0.45 C ATOM 168 OG SER A 26 12.127 -7.442 -2.693 1.00 1.34 O ATOM 0 H SER A 26 10.973 -5.687 -3.813 1.00 0.27 H new ATOM 0 HA SER A 26 13.112 -4.241 -2.517 1.00 0.31 H new ATOM 0 HB2 SER A 26 13.478 -6.460 -1.483 1.00 0.45 H new ATOM 0 HB3 SER A 26 11.815 -5.932 -1.323 1.00 0.45 H new ATOM 0 HG SER A 26 11.971 -8.142 -2.025 1.00 1.34 H new ATOM 174 N LYS A 27 15.181 -5.401 -3.579 1.00 0.35 N ATOM 175 CA LYS A 27 16.350 -5.781 -4.390 1.00 0.41 C ATOM 176 C LYS A 27 16.307 -7.245 -4.893 1.00 0.45 C ATOM 177 O LYS A 27 17.102 -7.621 -5.736 1.00 0.60 O ATOM 178 CB LYS A 27 17.682 -5.482 -3.634 1.00 0.53 C ATOM 179 CG LYS A 27 17.788 -6.058 -2.190 1.00 0.83 C ATOM 180 CD LYS A 27 17.737 -7.606 -2.095 1.00 0.74 C ATOM 181 CE LYS A 27 19.036 -8.328 -2.549 1.00 1.33 C ATOM 182 NZ LYS A 27 19.414 -8.088 -3.963 1.00 2.12 N ATOM 0 H LYS A 27 15.419 -5.027 -2.660 1.00 0.35 H new ATOM 0 HA LYS A 27 16.310 -5.158 -5.283 1.00 0.41 H new ATOM 0 HB2 LYS A 27 18.509 -5.877 -4.224 1.00 0.53 H new ATOM 0 HB3 LYS A 27 17.814 -4.401 -3.584 1.00 0.53 H new ATOM 0 HG2 LYS A 27 18.721 -5.712 -1.745 1.00 0.83 H new ATOM 0 HG3 LYS A 27 16.977 -5.645 -1.590 1.00 0.83 H new ATOM 0 HD2 LYS A 27 17.523 -7.886 -1.063 1.00 0.74 H new ATOM 0 HD3 LYS A 27 16.906 -7.966 -2.702 1.00 0.74 H new ATOM 0 HE2 LYS A 27 19.857 -8.008 -1.908 1.00 1.33 H new ATOM 0 HE3 LYS A 27 18.912 -9.400 -2.397 1.00 1.33 H new ATOM 0 HZ1 LYS A 27 20.034 -8.856 -4.292 1.00 2.12 H new ATOM 0 HZ2 LYS A 27 18.557 -8.059 -4.551 1.00 2.12 H new ATOM 0 HZ3 LYS A 27 19.917 -7.181 -4.039 1.00 2.12 H new ATOM 196 N ALA A 28 15.385 -8.047 -4.350 1.00 0.44 N ATOM 197 CA ALA A 28 15.215 -9.448 -4.728 1.00 0.52 C ATOM 198 C ALA A 28 14.316 -9.552 -5.955 1.00 0.41 C ATOM 199 O ALA A 28 13.934 -10.648 -6.376 1.00 0.48 O ATOM 200 CB ALA A 28 14.619 -10.224 -3.568 1.00 0.70 C ATOM 0 H ALA A 28 14.732 -7.737 -3.630 1.00 0.44 H new ATOM 0 HA ALA A 28 16.188 -9.874 -4.973 1.00 0.52 H new ATOM 0 HB1 ALA A 28 14.494 -11.268 -3.855 1.00 0.70 H new ATOM 0 HB2 ALA A 28 15.285 -10.161 -2.708 1.00 0.70 H new ATOM 0 HB3 ALA A 28 13.649 -9.801 -3.307 1.00 0.70 H new ATOM 206 N GLU A 29 13.979 -8.381 -6.484 1.00 0.34 N ATOM 207 CA GLU A 29 13.165 -8.179 -7.669 1.00 0.38 C ATOM 208 C GLU A 29 11.725 -8.560 -7.351 1.00 0.40 C ATOM 209 O GLU A 29 10.941 -8.952 -8.225 1.00 0.55 O ATOM 210 CB GLU A 29 13.708 -8.994 -8.858 1.00 0.58 C ATOM 211 CG GLU A 29 13.427 -8.329 -10.190 1.00 1.38 C ATOM 212 CD GLU A 29 14.170 -7.019 -10.314 1.00 1.79 C ATOM 213 OE1 GLU A 29 13.731 -6.035 -9.703 1.00 2.59 O ATOM 214 OE2 GLU A 29 15.167 -6.930 -11.062 1.00 2.01 O ATOM 0 H GLU A 29 14.286 -7.500 -6.071 1.00 0.34 H new ATOM 0 HA GLU A 29 13.202 -7.129 -7.958 1.00 0.38 H new ATOM 0 HB2 GLU A 29 14.783 -9.129 -8.742 1.00 0.58 H new ATOM 0 HB3 GLU A 29 13.260 -9.987 -8.849 1.00 0.58 H new ATOM 0 HG2 GLU A 29 13.721 -8.995 -11.001 1.00 1.38 H new ATOM 0 HG3 GLU A 29 12.356 -8.154 -10.293 1.00 1.38 H new ATOM 221 N ILE A 30 11.354 -8.370 -6.104 1.00 0.39 N ATOM 222 CA ILE A 30 10.040 -8.781 -5.654 1.00 0.52 C ATOM 223 C ILE A 30 9.132 -7.578 -5.400 1.00 0.55 C ATOM 224 O ILE A 30 9.500 -6.653 -4.676 1.00 0.59 O ATOM 225 CB ILE A 30 10.116 -9.657 -4.375 1.00 0.63 C ATOM 226 CG1 ILE A 30 10.962 -10.930 -4.618 1.00 0.70 C ATOM 227 CG2 ILE A 30 8.722 -10.026 -3.910 1.00 0.80 C ATOM 228 CD1 ILE A 30 10.424 -11.832 -5.715 1.00 1.17 C ATOM 0 H ILE A 30 11.937 -7.937 -5.388 1.00 0.39 H new ATOM 0 HA ILE A 30 9.612 -9.380 -6.458 1.00 0.52 H new ATOM 0 HB ILE A 30 10.606 -9.076 -3.594 1.00 0.63 H new ATOM 0 HG12 ILE A 30 11.980 -10.634 -4.872 1.00 0.70 H new ATOM 0 HG13 ILE A 30 11.018 -11.499 -3.690 1.00 0.70 H new ATOM 0 HG21 ILE A 30 8.789 -10.640 -3.012 1.00 0.80 H new ATOM 0 HG22 ILE A 30 8.160 -9.119 -3.688 1.00 0.80 H new ATOM 0 HG23 ILE A 30 8.213 -10.585 -4.695 1.00 0.80 H new ATOM 0 HD11 ILE A 30 11.073 -12.701 -5.823 1.00 1.17 H new ATOM 0 HD12 ILE A 30 9.418 -12.161 -5.455 1.00 1.17 H new ATOM 0 HD13 ILE A 30 10.394 -11.283 -6.656 1.00 1.17 H new ATOM 240 N ARG A 31 7.954 -7.620 -6.000 1.00 0.64 N ATOM 241 CA ARG A 31 6.956 -6.564 -5.893 1.00 0.75 C ATOM 242 C ARG A 31 6.078 -6.760 -4.651 1.00 0.55 C ATOM 243 O ARG A 31 5.484 -7.818 -4.469 1.00 0.76 O ATOM 244 CB ARG A 31 6.036 -6.579 -7.145 1.00 1.35 C ATOM 245 CG ARG A 31 6.720 -6.239 -8.473 1.00 2.13 C ATOM 246 CD ARG A 31 5.717 -6.366 -9.620 1.00 2.61 C ATOM 247 NE ARG A 31 6.268 -5.988 -10.931 1.00 3.25 N ATOM 248 CZ ARG A 31 5.542 -5.943 -12.074 1.00 3.86 C ATOM 249 NH1 ARG A 31 4.262 -6.296 -12.071 1.00 3.95 N ATOM 250 NH2 ARG A 31 6.104 -5.559 -13.203 1.00 4.71 N ATOM 0 H ARG A 31 7.658 -8.401 -6.585 1.00 0.64 H new ATOM 0 HA ARG A 31 7.485 -5.614 -5.817 1.00 0.75 H new ATOM 0 HB2 ARG A 31 5.586 -7.568 -7.231 1.00 1.35 H new ATOM 0 HB3 ARG A 31 5.222 -5.872 -6.984 1.00 1.35 H new ATOM 0 HG2 ARG A 31 7.119 -5.225 -8.438 1.00 2.13 H new ATOM 0 HG3 ARG A 31 7.564 -6.909 -8.640 1.00 2.13 H new ATOM 0 HD2 ARG A 31 5.362 -7.395 -9.668 1.00 2.61 H new ATOM 0 HD3 ARG A 31 4.851 -5.740 -9.405 1.00 2.61 H new ATOM 0 HE ARG A 31 7.257 -5.745 -10.982 1.00 3.25 H new ATOM 0 HH11 ARG A 31 3.820 -6.603 -11.205 1.00 3.95 H new ATOM 0 HH12 ARG A 31 3.721 -6.260 -12.935 1.00 3.95 H new ATOM 0 HH21 ARG A 31 7.089 -5.294 -13.218 1.00 4.71 H new ATOM 0 HH22 ARG A 31 5.554 -5.527 -14.061 1.00 4.71 H new ATOM 264 N TYR A 32 6.016 -5.751 -3.808 1.00 0.47 N ATOM 265 CA TYR A 32 5.121 -5.746 -2.662 1.00 0.59 C ATOM 266 C TYR A 32 4.183 -4.544 -2.752 1.00 0.56 C ATOM 267 O TYR A 32 4.637 -3.411 -2.935 1.00 0.69 O ATOM 268 CB TYR A 32 5.894 -5.717 -1.322 1.00 0.84 C ATOM 269 CG TYR A 32 6.675 -6.984 -1.012 1.00 1.16 C ATOM 270 CD1 TYR A 32 6.045 -8.123 -0.522 1.00 1.70 C ATOM 271 CD2 TYR A 32 8.051 -7.033 -1.225 1.00 1.32 C ATOM 272 CE1 TYR A 32 6.764 -9.283 -0.252 1.00 2.32 C ATOM 273 CE2 TYR A 32 8.778 -8.183 -0.960 1.00 1.86 C ATOM 274 CZ TYR A 32 8.089 -9.318 -0.414 1.00 2.34 C ATOM 275 OH TYR A 32 8.852 -10.456 -0.209 1.00 3.01 O ATOM 0 H TYR A 32 6.584 -4.908 -3.895 1.00 0.47 H new ATOM 0 HA TYR A 32 4.544 -6.670 -2.684 1.00 0.59 H new ATOM 0 HB2 TYR A 32 6.585 -4.874 -1.335 1.00 0.84 H new ATOM 0 HB3 TYR A 32 5.186 -5.536 -0.513 1.00 0.84 H new ATOM 0 HD1 TYR A 32 4.979 -8.107 -0.348 1.00 1.70 H new ATOM 0 HD2 TYR A 32 8.560 -6.159 -1.603 1.00 1.32 H new ATOM 0 HE1 TYR A 32 6.245 -10.165 0.092 1.00 2.32 H new ATOM 0 HE2 TYR A 32 9.839 -8.224 -1.160 1.00 1.86 H new ATOM 0 HH TYR A 32 9.795 -10.254 -0.386 1.00 3.01 H new ATOM 285 N GLU A 33 2.903 -4.799 -2.647 1.00 0.53 N ATOM 286 CA GLU A 33 1.893 -3.752 -2.690 1.00 0.52 C ATOM 287 C GLU A 33 1.112 -3.729 -1.365 1.00 0.42 C ATOM 288 O GLU A 33 0.590 -4.755 -0.913 1.00 0.51 O ATOM 289 CB GLU A 33 0.963 -3.956 -3.918 1.00 0.74 C ATOM 290 CG GLU A 33 0.260 -5.317 -3.975 1.00 1.40 C ATOM 291 CD GLU A 33 -0.563 -5.521 -5.238 1.00 1.81 C ATOM 292 OE1 GLU A 33 -1.737 -5.130 -5.268 1.00 2.23 O ATOM 293 OE2 GLU A 33 -0.030 -6.114 -6.221 1.00 2.45 O ATOM 0 H GLU A 33 2.523 -5.738 -2.529 1.00 0.53 H new ATOM 0 HA GLU A 33 2.372 -2.780 -2.807 1.00 0.52 H new ATOM 0 HB2 GLU A 33 0.206 -3.172 -3.916 1.00 0.74 H new ATOM 0 HB3 GLU A 33 1.552 -3.829 -4.827 1.00 0.74 H new ATOM 0 HG2 GLU A 33 1.008 -6.107 -3.906 1.00 1.40 H new ATOM 0 HG3 GLU A 33 -0.391 -5.418 -3.106 1.00 1.40 H new ATOM 300 N GLY A 34 1.054 -2.569 -0.742 1.00 0.40 N ATOM 301 CA GLY A 34 0.426 -2.430 0.562 1.00 0.43 C ATOM 302 C GLY A 34 0.442 -1.028 0.997 1.00 0.36 C ATOM 303 O GLY A 34 0.447 -0.108 0.158 1.00 0.45 O ATOM 0 H GLY A 34 1.436 -1.702 -1.119 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -0.602 -2.791 0.517 1.00 0.43 H new ATOM 0 HA3 GLY A 34 0.949 -3.049 1.291 1.00 0.43 H new ATOM 307 N ILE A 35 0.460 -0.822 2.284 1.00 0.35 N ATOM 308 CA ILE A 35 0.492 0.474 2.801 1.00 0.39 C ATOM 309 C ILE A 35 1.755 0.756 3.587 1.00 0.40 C ATOM 310 O ILE A 35 2.071 0.101 4.565 1.00 0.61 O ATOM 311 CB ILE A 35 -0.850 0.936 3.493 1.00 0.49 C ATOM 312 CG1 ILE A 35 -1.572 -0.197 4.247 1.00 0.69 C ATOM 313 CG2 ILE A 35 -1.783 1.538 2.460 1.00 0.79 C ATOM 314 CD1 ILE A 35 -0.770 -0.890 5.275 1.00 0.93 C ATOM 0 H ILE A 35 0.452 -1.562 2.986 1.00 0.35 H new ATOM 0 HA ILE A 35 0.549 1.136 1.937 1.00 0.39 H new ATOM 0 HB ILE A 35 -0.573 1.682 4.238 1.00 0.49 H new ATOM 0 HG12 ILE A 35 -2.461 0.216 4.723 1.00 0.69 H new ATOM 0 HG13 ILE A 35 -1.913 -0.934 3.520 1.00 0.69 H new ATOM 0 HG21 ILE A 35 -2.707 1.854 2.945 1.00 0.79 H new ATOM 0 HG22 ILE A 35 -1.304 2.399 1.995 1.00 0.79 H new ATOM 0 HG23 ILE A 35 -2.010 0.793 1.697 1.00 0.79 H new ATOM 0 HD11 ILE A 35 -1.373 -1.668 5.744 1.00 0.93 H new ATOM 0 HD12 ILE A 35 0.106 -1.341 4.810 1.00 0.93 H new ATOM 0 HD13 ILE A 35 -0.451 -0.173 6.032 1.00 0.93 H new ATOM 326 N LEU A 36 2.497 1.689 3.074 1.00 0.33 N ATOM 327 CA LEU A 36 3.770 2.126 3.634 1.00 0.40 C ATOM 328 C LEU A 36 3.511 2.703 5.030 1.00 0.41 C ATOM 329 O LEU A 36 2.577 3.515 5.205 1.00 0.44 O ATOM 330 CB LEU A 36 4.356 3.207 2.703 1.00 0.56 C ATOM 331 CG LEU A 36 5.884 3.414 2.683 1.00 0.78 C ATOM 332 CD1 LEU A 36 6.442 3.810 4.031 1.00 1.55 C ATOM 333 CD2 LEU A 36 6.570 2.173 2.146 1.00 1.72 C ATOM 0 H LEU A 36 2.238 2.193 2.226 1.00 0.33 H new ATOM 0 HA LEU A 36 4.475 1.299 3.716 1.00 0.40 H new ATOM 0 HB2 LEU A 36 4.040 2.975 1.686 1.00 0.56 H new ATOM 0 HB3 LEU A 36 3.896 4.159 2.970 1.00 0.56 H new ATOM 0 HG LEU A 36 6.089 4.251 2.016 1.00 0.78 H new ATOM 0 HD11 LEU A 36 7.521 3.941 3.954 1.00 1.55 H new ATOM 0 HD12 LEU A 36 5.985 4.745 4.353 1.00 1.55 H new ATOM 0 HD13 LEU A 36 6.223 3.029 4.759 1.00 1.55 H new ATOM 0 HD21 LEU A 36 7.649 2.329 2.136 1.00 1.72 H new ATOM 0 HD22 LEU A 36 6.333 1.321 2.784 1.00 1.72 H new ATOM 0 HD23 LEU A 36 6.222 1.975 1.132 1.00 1.72 H new ATOM 345 N TYR A 37 4.318 2.299 6.008 1.00 0.44 N ATOM 346 CA TYR A 37 4.098 2.735 7.373 1.00 0.50 C ATOM 347 C TYR A 37 4.937 3.968 7.728 1.00 0.52 C ATOM 348 O TYR A 37 4.393 4.982 8.160 1.00 0.64 O ATOM 349 CB TYR A 37 4.345 1.579 8.366 1.00 0.59 C ATOM 350 CG TYR A 37 4.028 1.919 9.812 1.00 0.68 C ATOM 351 CD1 TYR A 37 2.714 2.027 10.256 1.00 0.77 C ATOM 352 CD2 TYR A 37 5.045 2.118 10.730 1.00 0.78 C ATOM 353 CE1 TYR A 37 2.428 2.327 11.574 1.00 0.91 C ATOM 354 CE2 TYR A 37 4.771 2.414 12.044 1.00 0.91 C ATOM 355 CZ TYR A 37 3.431 2.571 12.447 1.00 0.95 C ATOM 356 OH TYR A 37 3.191 2.811 13.785 1.00 1.11 O ATOM 0 H TYR A 37 5.118 1.679 5.878 1.00 0.44 H new ATOM 0 HA TYR A 37 3.053 3.033 7.454 1.00 0.50 H new ATOM 0 HB2 TYR A 37 3.742 0.722 8.066 1.00 0.59 H new ATOM 0 HB3 TYR A 37 5.389 1.273 8.297 1.00 0.59 H new ATOM 0 HD1 TYR A 37 1.904 1.874 9.559 1.00 0.77 H new ATOM 0 HD2 TYR A 37 6.073 2.039 10.408 1.00 0.78 H new ATOM 0 HE1 TYR A 37 1.402 2.367 11.907 1.00 0.91 H new ATOM 0 HE2 TYR A 37 5.573 2.525 12.758 1.00 0.91 H new ATOM 0 HH TYR A 37 4.041 2.963 14.248 1.00 1.11 H new ATOM 366 N THR A 38 6.258 3.889 7.566 1.00 0.49 N ATOM 367 CA THR A 38 7.145 5.005 7.916 1.00 0.56 C ATOM 368 C THR A 38 8.447 4.945 7.071 1.00 0.56 C ATOM 369 O THR A 38 8.824 3.879 6.587 1.00 0.52 O ATOM 370 CB THR A 38 7.492 4.958 9.447 1.00 0.66 C ATOM 371 OG1 THR A 38 6.286 5.000 10.211 1.00 0.82 O ATOM 372 CG2 THR A 38 8.355 6.135 9.863 1.00 0.94 C ATOM 0 H THR A 38 6.738 3.069 7.196 1.00 0.49 H new ATOM 0 HA THR A 38 6.631 5.941 7.699 1.00 0.56 H new ATOM 0 HB THR A 38 8.041 4.035 9.630 1.00 0.66 H new ATOM 0 HG1 THR A 38 5.957 4.088 10.353 1.00 0.82 H new ATOM 0 HG21 THR A 38 8.574 6.067 10.929 1.00 0.94 H new ATOM 0 HG22 THR A 38 9.288 6.119 9.299 1.00 0.94 H new ATOM 0 HG23 THR A 38 7.824 7.065 9.660 1.00 0.94 H new ATOM 380 N ILE A 39 9.084 6.087 6.863 1.00 0.72 N ATOM 381 CA ILE A 39 10.340 6.160 6.139 1.00 0.79 C ATOM 382 C ILE A 39 11.333 6.976 6.942 1.00 1.01 C ATOM 383 O ILE A 39 10.988 8.046 7.472 1.00 1.31 O ATOM 384 CB ILE A 39 10.177 6.859 4.752 1.00 1.02 C ATOM 385 CG1 ILE A 39 9.212 6.099 3.854 1.00 1.15 C ATOM 386 CG2 ILE A 39 11.531 7.035 4.054 1.00 1.13 C ATOM 387 CD1 ILE A 39 8.969 6.786 2.522 1.00 1.45 C ATOM 0 H ILE A 39 8.743 6.990 7.193 1.00 0.72 H new ATOM 0 HA ILE A 39 10.684 5.137 5.985 1.00 0.79 H new ATOM 0 HB ILE A 39 9.758 7.848 4.939 1.00 1.02 H new ATOM 0 HG12 ILE A 39 9.605 5.099 3.673 1.00 1.15 H new ATOM 0 HG13 ILE A 39 8.261 5.979 4.373 1.00 1.15 H new ATOM 0 HG21 ILE A 39 11.383 7.524 3.091 1.00 1.13 H new ATOM 0 HG22 ILE A 39 12.184 7.647 4.676 1.00 1.13 H new ATOM 0 HG23 ILE A 39 11.990 6.059 3.898 1.00 1.13 H new ATOM 0 HD11 ILE A 39 8.272 6.194 1.929 1.00 1.45 H new ATOM 0 HD12 ILE A 39 8.547 7.776 2.695 1.00 1.45 H new ATOM 0 HD13 ILE A 39 9.912 6.882 1.985 1.00 1.45 H new ATOM 399 N ASP A 40 12.533 6.477 7.059 1.00 0.96 N ATOM 400 CA ASP A 40 13.602 7.252 7.637 1.00 1.24 C ATOM 401 C ASP A 40 14.339 7.955 6.540 1.00 1.25 C ATOM 402 O ASP A 40 14.994 7.338 5.733 1.00 1.13 O ATOM 403 CB ASP A 40 14.562 6.413 8.465 1.00 1.31 C ATOM 404 CG ASP A 40 15.834 7.178 8.782 1.00 2.02 C ATOM 405 OD1 ASP A 40 15.745 8.255 9.419 1.00 2.48 O ATOM 406 OD2 ASP A 40 16.920 6.699 8.432 1.00 2.56 O ATOM 0 H ASP A 40 12.797 5.538 6.763 1.00 0.96 H new ATOM 0 HA ASP A 40 13.157 7.973 8.323 1.00 1.24 H new ATOM 0 HB2 ASP A 40 14.076 6.111 9.393 1.00 1.31 H new ATOM 0 HB3 ASP A 40 14.810 5.500 7.923 1.00 1.31 H new ATOM 411 N THR A 41 14.198 9.238 6.500 1.00 1.54 N ATOM 412 CA THR A 41 14.792 10.045 5.471 1.00 1.72 C ATOM 413 C THR A 41 16.345 10.188 5.654 1.00 1.69 C ATOM 414 O THR A 41 17.042 10.682 4.754 1.00 1.85 O ATOM 415 CB THR A 41 14.092 11.425 5.466 1.00 2.15 C ATOM 416 OG1 THR A 41 12.663 11.198 5.427 1.00 2.76 O ATOM 417 CG2 THR A 41 14.485 12.266 4.246 1.00 2.54 C ATOM 0 H THR A 41 13.662 9.768 7.187 1.00 1.54 H new ATOM 0 HA THR A 41 14.649 9.556 4.507 1.00 1.72 H new ATOM 0 HB THR A 41 14.396 11.970 6.360 1.00 2.15 H new ATOM 0 HG1 THR A 41 12.195 12.059 5.425 1.00 2.76 H new ATOM 0 HG21 THR A 41 13.970 13.226 4.284 1.00 2.54 H new ATOM 0 HG22 THR A 41 15.562 12.432 4.250 1.00 2.54 H new ATOM 0 HG23 THR A 41 14.203 11.739 3.335 1.00 2.54 H new ATOM 425 N GLU A 42 16.888 9.726 6.789 1.00 1.61 N ATOM 426 CA GLU A 42 18.333 9.813 6.992 1.00 1.64 C ATOM 427 C GLU A 42 19.066 8.690 6.246 1.00 1.37 C ATOM 428 O GLU A 42 19.940 8.937 5.415 1.00 1.56 O ATOM 429 CB GLU A 42 18.695 9.787 8.484 1.00 1.77 C ATOM 430 CG GLU A 42 20.197 9.876 8.733 1.00 2.30 C ATOM 431 CD GLU A 42 20.571 9.807 10.179 1.00 2.79 C ATOM 432 OE1 GLU A 42 20.576 10.863 10.858 1.00 3.21 O ATOM 433 OE2 GLU A 42 20.830 8.701 10.670 1.00 3.22 O ATOM 0 H GLU A 42 16.365 9.302 7.555 1.00 1.61 H new ATOM 0 HA GLU A 42 18.658 10.769 6.582 1.00 1.64 H new ATOM 0 HB2 GLU A 42 18.199 10.617 8.987 1.00 1.77 H new ATOM 0 HB3 GLU A 42 18.312 8.869 8.929 1.00 1.77 H new ATOM 0 HG2 GLU A 42 20.694 9.066 8.199 1.00 2.30 H new ATOM 0 HG3 GLU A 42 20.571 10.810 8.314 1.00 2.30 H new ATOM 440 N ASN A 43 18.689 7.473 6.541 1.00 1.11 N ATOM 441 CA ASN A 43 19.305 6.277 5.950 1.00 1.14 C ATOM 442 C ASN A 43 18.485 5.817 4.793 1.00 1.21 C ATOM 443 O ASN A 43 18.796 4.820 4.148 1.00 1.44 O ATOM 444 CB ASN A 43 19.430 5.173 7.020 1.00 1.24 C ATOM 445 CG ASN A 43 20.251 5.612 8.221 1.00 1.60 C ATOM 446 OD1 ASN A 43 21.464 5.411 8.263 1.00 2.01 O ATOM 447 ND2 ASN A 43 19.592 6.228 9.195 1.00 2.26 N ATOM 0 H ASN A 43 17.941 7.265 7.202 1.00 1.11 H new ATOM 0 HA ASN A 43 20.306 6.514 5.590 1.00 1.14 H new ATOM 0 HB2 ASN A 43 18.434 4.881 7.353 1.00 1.24 H new ATOM 0 HB3 ASN A 43 19.889 4.291 6.574 1.00 1.24 H new ATOM 0 HD21 ASN A 43 20.092 6.556 10.021 1.00 2.26 H new ATOM 0 HD22 ASN A 43 18.585 6.373 9.117 1.00 2.26 H new ATOM 454 N SER A 44 17.412 6.565 4.546 1.00 1.16 N ATOM 455 CA SER A 44 16.500 6.346 3.442 1.00 1.40 C ATOM 456 C SER A 44 15.753 5.018 3.594 1.00 1.17 C ATOM 457 O SER A 44 15.176 4.513 2.633 1.00 1.36 O ATOM 458 CB SER A 44 17.257 6.444 2.113 1.00 1.82 C ATOM 459 OG SER A 44 17.881 7.729 1.997 1.00 2.28 O ATOM 0 H SER A 44 17.152 7.361 5.129 1.00 1.16 H new ATOM 0 HA SER A 44 15.739 7.127 3.449 1.00 1.40 H new ATOM 0 HB2 SER A 44 18.010 5.658 2.056 1.00 1.82 H new ATOM 0 HB3 SER A 44 16.570 6.288 1.281 1.00 1.82 H new ATOM 0 HG SER A 44 18.364 7.783 1.146 1.00 2.28 H new ATOM 465 N THR A 45 15.697 4.514 4.829 1.00 0.90 N ATOM 466 CA THR A 45 15.112 3.230 5.106 1.00 0.79 C ATOM 467 C THR A 45 13.597 3.269 5.000 1.00 0.71 C ATOM 468 O THR A 45 12.971 4.312 5.192 1.00 0.86 O ATOM 469 CB THR A 45 15.533 2.681 6.478 1.00 0.92 C ATOM 470 OG1 THR A 45 15.159 3.581 7.507 1.00 1.10 O ATOM 471 CG2 THR A 45 17.018 2.467 6.533 1.00 1.21 C ATOM 0 H THR A 45 16.059 4.994 5.653 1.00 0.90 H new ATOM 0 HA THR A 45 15.495 2.551 4.344 1.00 0.79 H new ATOM 0 HB THR A 45 15.026 1.727 6.624 1.00 0.92 H new ATOM 0 HG1 THR A 45 15.955 3.848 8.013 1.00 1.10 H new ATOM 0 HG21 THR A 45 17.293 2.078 7.513 1.00 1.21 H new ATOM 0 HG22 THR A 45 17.311 1.753 5.764 1.00 1.21 H new ATOM 0 HG23 THR A 45 17.529 3.415 6.362 1.00 1.21 H new ATOM 479 N VAL A 46 13.022 2.138 4.721 1.00 0.55 N ATOM 480 CA VAL A 46 11.613 2.033 4.491 1.00 0.53 C ATOM 481 C VAL A 46 11.007 0.994 5.426 1.00 0.46 C ATOM 482 O VAL A 46 11.469 -0.163 5.477 1.00 0.56 O ATOM 483 CB VAL A 46 11.334 1.637 3.015 1.00 0.65 C ATOM 484 CG1 VAL A 46 9.852 1.530 2.761 1.00 0.88 C ATOM 485 CG2 VAL A 46 11.963 2.641 2.055 1.00 0.70 C ATOM 0 H VAL A 46 13.523 1.253 4.646 1.00 0.55 H new ATOM 0 HA VAL A 46 11.156 3.003 4.688 1.00 0.53 H new ATOM 0 HB VAL A 46 11.787 0.661 2.839 1.00 0.65 H new ATOM 0 HG11 VAL A 46 9.680 1.252 1.721 1.00 0.88 H new ATOM 0 HG12 VAL A 46 9.425 0.770 3.415 1.00 0.88 H new ATOM 0 HG13 VAL A 46 9.378 2.491 2.963 1.00 0.88 H new ATOM 0 HG21 VAL A 46 11.754 2.342 1.028 1.00 0.70 H new ATOM 0 HG22 VAL A 46 11.544 3.631 2.238 1.00 0.70 H new ATOM 0 HG23 VAL A 46 13.041 2.669 2.213 1.00 0.70 H new ATOM 495 N ALA A 47 10.009 1.404 6.169 1.00 0.46 N ATOM 496 CA ALA A 47 9.302 0.526 7.052 1.00 0.47 C ATOM 497 C ALA A 47 8.010 0.109 6.399 1.00 0.42 C ATOM 498 O ALA A 47 7.088 0.929 6.223 1.00 0.40 O ATOM 499 CB ALA A 47 9.038 1.205 8.390 1.00 0.51 C ATOM 0 H ALA A 47 9.666 2.365 6.174 1.00 0.46 H new ATOM 0 HA ALA A 47 9.909 -0.358 7.246 1.00 0.47 H new ATOM 0 HB1 ALA A 47 8.500 0.520 9.046 1.00 0.51 H new ATOM 0 HB2 ALA A 47 9.986 1.480 8.852 1.00 0.51 H new ATOM 0 HB3 ALA A 47 8.439 2.101 8.231 1.00 0.51 H new ATOM 505 N LEU A 48 7.943 -1.137 6.007 1.00 0.49 N ATOM 506 CA LEU A 48 6.796 -1.658 5.324 1.00 0.55 C ATOM 507 C LEU A 48 6.094 -2.686 6.212 1.00 0.55 C ATOM 508 O LEU A 48 6.726 -3.615 6.726 1.00 0.66 O ATOM 509 CB LEU A 48 7.242 -2.268 3.987 1.00 0.77 C ATOM 510 CG LEU A 48 6.144 -2.758 3.070 1.00 1.04 C ATOM 511 CD1 LEU A 48 5.220 -1.621 2.650 1.00 1.75 C ATOM 512 CD2 LEU A 48 6.719 -3.468 1.865 1.00 1.48 C ATOM 0 H LEU A 48 8.687 -1.818 6.155 1.00 0.49 H new ATOM 0 HA LEU A 48 6.083 -0.861 5.113 1.00 0.55 H new ATOM 0 HB2 LEU A 48 7.828 -1.522 3.450 1.00 0.77 H new ATOM 0 HB3 LEU A 48 7.908 -3.104 4.199 1.00 0.77 H new ATOM 0 HG LEU A 48 5.545 -3.477 3.628 1.00 1.04 H new ATOM 0 HD11 LEU A 48 4.443 -2.008 1.991 1.00 1.75 H new ATOM 0 HD12 LEU A 48 4.760 -1.180 3.535 1.00 1.75 H new ATOM 0 HD13 LEU A 48 5.796 -0.860 2.123 1.00 1.75 H new ATOM 0 HD21 LEU A 48 5.907 -3.810 1.223 1.00 1.48 H new ATOM 0 HD22 LEU A 48 7.358 -2.782 1.309 1.00 1.48 H new ATOM 0 HD23 LEU A 48 7.307 -4.325 2.194 1.00 1.48 H new ATOM 524 N ALA A 49 4.801 -2.532 6.388 1.00 0.54 N ATOM 525 CA ALA A 49 4.058 -3.362 7.282 1.00 0.59 C ATOM 526 C ALA A 49 2.618 -3.311 6.886 1.00 0.53 C ATOM 527 O ALA A 49 2.206 -2.364 6.243 1.00 0.69 O ATOM 528 CB ALA A 49 4.221 -2.864 8.711 1.00 0.76 C ATOM 0 H ALA A 49 4.243 -1.824 5.910 1.00 0.54 H new ATOM 0 HA ALA A 49 4.424 -4.387 7.230 1.00 0.59 H new ATOM 0 HB1 ALA A 49 3.651 -3.503 9.386 1.00 0.76 H new ATOM 0 HB2 ALA A 49 5.275 -2.892 8.988 1.00 0.76 H new ATOM 0 HB3 ALA A 49 3.854 -1.840 8.784 1.00 0.76 H new ATOM 534 N LYS A 50 1.865 -4.345 7.259 1.00 0.55 N ATOM 535 CA LYS A 50 0.414 -4.457 6.971 1.00 0.70 C ATOM 536 C LYS A 50 0.183 -4.438 5.475 1.00 0.60 C ATOM 537 O LYS A 50 -0.881 -4.050 4.992 1.00 0.74 O ATOM 538 CB LYS A 50 -0.372 -3.322 7.649 1.00 0.98 C ATOM 539 CG LYS A 50 -0.005 -3.119 9.098 1.00 1.44 C ATOM 540 CD LYS A 50 -0.804 -1.980 9.732 1.00 1.95 C ATOM 541 CE LYS A 50 -0.529 -1.839 11.246 1.00 2.92 C ATOM 542 NZ LYS A 50 0.897 -1.567 11.567 1.00 3.63 N ATOM 0 H LYS A 50 2.237 -5.142 7.775 1.00 0.55 H new ATOM 0 HA LYS A 50 0.054 -5.403 7.376 1.00 0.70 H new ATOM 0 HB2 LYS A 50 -0.197 -2.394 7.105 1.00 0.98 H new ATOM 0 HB3 LYS A 50 -1.438 -3.537 7.579 1.00 0.98 H new ATOM 0 HG2 LYS A 50 -0.185 -4.041 9.651 1.00 1.44 H new ATOM 0 HG3 LYS A 50 1.061 -2.903 9.176 1.00 1.44 H new ATOM 0 HD2 LYS A 50 -0.556 -1.044 9.232 1.00 1.95 H new ATOM 0 HD3 LYS A 50 -1.868 -2.154 9.573 1.00 1.95 H new ATOM 0 HE2 LYS A 50 -1.143 -1.032 11.645 1.00 2.92 H new ATOM 0 HE3 LYS A 50 -0.838 -2.754 11.750 1.00 2.92 H new ATOM 0 HZ1 LYS A 50 1.008 -1.467 12.596 1.00 3.63 H new ATOM 0 HZ2 LYS A 50 1.485 -2.356 11.230 1.00 3.63 H new ATOM 0 HZ3 LYS A 50 1.196 -0.688 11.100 1.00 3.63 H new ATOM 556 N VAL A 51 1.178 -4.939 4.753 1.00 0.64 N ATOM 557 CA VAL A 51 1.173 -4.929 3.315 1.00 0.54 C ATOM 558 C VAL A 51 0.065 -5.857 2.812 1.00 0.72 C ATOM 559 O VAL A 51 0.122 -7.077 3.016 1.00 1.07 O ATOM 560 CB VAL A 51 2.522 -5.513 2.820 1.00 0.78 C ATOM 561 CG1 VAL A 51 2.657 -5.475 1.315 1.00 1.52 C ATOM 562 CG2 VAL A 51 3.684 -4.836 3.474 1.00 1.44 C ATOM 0 H VAL A 51 2.011 -5.364 5.161 1.00 0.64 H new ATOM 0 HA VAL A 51 1.020 -3.912 2.953 1.00 0.54 H new ATOM 0 HB VAL A 51 2.526 -6.563 3.114 1.00 0.78 H new ATOM 0 HG11 VAL A 51 3.620 -5.896 1.025 1.00 1.52 H new ATOM 0 HG12 VAL A 51 1.855 -6.059 0.863 1.00 1.52 H new ATOM 0 HG13 VAL A 51 2.594 -4.443 0.970 1.00 1.52 H new ATOM 0 HG21 VAL A 51 4.613 -5.270 3.104 1.00 1.44 H new ATOM 0 HG22 VAL A 51 3.663 -3.771 3.241 1.00 1.44 H new ATOM 0 HG23 VAL A 51 3.624 -4.973 4.554 1.00 1.44 H new ATOM 572 N ARG A 52 -0.928 -5.280 2.160 1.00 0.93 N ATOM 573 CA ARG A 52 -2.043 -6.029 1.649 1.00 1.36 C ATOM 574 C ARG A 52 -2.867 -5.109 0.740 1.00 1.77 C ATOM 575 O ARG A 52 -2.690 -3.886 0.788 1.00 2.15 O ATOM 576 CB ARG A 52 -2.849 -6.552 2.838 1.00 1.98 C ATOM 577 CG ARG A 52 -3.942 -7.537 2.509 1.00 2.57 C ATOM 578 CD ARG A 52 -4.472 -8.172 3.774 1.00 3.14 C ATOM 579 NE ARG A 52 -3.410 -8.904 4.504 1.00 3.81 N ATOM 580 CZ ARG A 52 -3.600 -9.724 5.545 1.00 4.54 C ATOM 581 NH1 ARG A 52 -4.828 -9.927 6.034 1.00 4.84 N ATOM 582 NH2 ARG A 52 -2.567 -10.348 6.097 1.00 5.32 N ATOM 0 H ARG A 52 -0.977 -4.278 1.974 1.00 0.93 H new ATOM 0 HA ARG A 52 -1.725 -6.886 1.054 1.00 1.36 H new ATOM 0 HB2 ARG A 52 -2.161 -7.023 3.540 1.00 1.98 H new ATOM 0 HB3 ARG A 52 -3.296 -5.701 3.352 1.00 1.98 H new ATOM 0 HG2 ARG A 52 -4.750 -7.031 1.981 1.00 2.57 H new ATOM 0 HG3 ARG A 52 -3.558 -8.307 1.840 1.00 2.57 H new ATOM 0 HD2 ARG A 52 -4.893 -7.401 4.420 1.00 3.14 H new ATOM 0 HD3 ARG A 52 -5.282 -8.858 3.526 1.00 3.14 H new ATOM 0 HE ARG A 52 -2.450 -8.771 4.185 1.00 3.81 H new ATOM 0 HH11 ARG A 52 -5.629 -9.455 5.614 1.00 4.84 H new ATOM 0 HH12 ARG A 52 -4.964 -10.553 6.827 1.00 4.84 H new ATOM 0 HH21 ARG A 52 -1.627 -10.203 5.728 1.00 5.32 H new ATOM 0 HH22 ARG A 52 -2.713 -10.973 6.890 1.00 5.32 H new ATOM 596 N SER A 53 -3.745 -5.683 -0.071 1.00 2.22 N ATOM 597 CA SER A 53 -4.591 -4.923 -0.987 1.00 2.91 C ATOM 598 C SER A 53 -5.562 -3.978 -0.269 1.00 3.21 C ATOM 599 O SER A 53 -5.932 -4.206 0.889 1.00 3.47 O ATOM 600 CB SER A 53 -5.302 -5.886 -1.931 1.00 3.72 C ATOM 601 OG SER A 53 -5.852 -6.974 -1.221 1.00 4.00 O ATOM 0 H SER A 53 -3.893 -6.691 -0.114 1.00 2.22 H new ATOM 0 HA SER A 53 -3.951 -4.264 -1.573 1.00 2.91 H new ATOM 0 HB2 SER A 53 -6.092 -5.360 -2.466 1.00 3.72 H new ATOM 0 HB3 SER A 53 -4.600 -6.253 -2.679 1.00 3.72 H new ATOM 0 HG SER A 53 -6.554 -6.650 -0.618 1.00 4.00 H new ATOM 607 N PHE A 54 -5.955 -2.933 -0.971 1.00 3.60 N ATOM 608 CA PHE A 54 -6.804 -1.889 -0.441 1.00 4.15 C ATOM 609 C PHE A 54 -8.061 -1.729 -1.309 1.00 4.64 C ATOM 610 O PHE A 54 -7.956 -1.571 -2.524 1.00 5.36 O ATOM 611 CB PHE A 54 -6.001 -0.563 -0.405 1.00 4.85 C ATOM 612 CG PHE A 54 -6.757 0.641 0.112 1.00 5.25 C ATOM 613 CD1 PHE A 54 -7.478 1.453 -0.755 1.00 5.67 C ATOM 614 CD2 PHE A 54 -6.739 0.960 1.453 1.00 5.62 C ATOM 615 CE1 PHE A 54 -8.167 2.559 -0.286 1.00 6.40 C ATOM 616 CE2 PHE A 54 -7.426 2.064 1.930 1.00 6.37 C ATOM 617 CZ PHE A 54 -8.140 2.859 1.056 1.00 6.75 C ATOM 0 H PHE A 54 -5.687 -2.785 -1.944 1.00 3.60 H new ATOM 0 HA PHE A 54 -7.122 -2.153 0.568 1.00 4.15 H new ATOM 0 HB2 PHE A 54 -5.118 -0.710 0.216 1.00 4.85 H new ATOM 0 HB3 PHE A 54 -5.649 -0.344 -1.413 1.00 4.85 H new ATOM 0 HD1 PHE A 54 -7.501 1.218 -1.809 1.00 5.67 H new ATOM 0 HD2 PHE A 54 -6.182 0.341 2.141 1.00 5.62 H new ATOM 0 HE1 PHE A 54 -8.723 3.183 -0.971 1.00 6.40 H new ATOM 0 HE2 PHE A 54 -7.403 2.302 2.983 1.00 6.37 H new ATOM 0 HZ PHE A 54 -8.679 3.719 1.427 1.00 6.75 H new ATOM 627 N GLY A 55 -9.232 -1.785 -0.689 1.00 4.55 N ATOM 628 CA GLY A 55 -10.444 -1.556 -1.432 1.00 5.26 C ATOM 629 C GLY A 55 -11.366 -2.734 -1.385 1.00 5.56 C ATOM 630 O GLY A 55 -11.267 -3.629 -2.208 1.00 5.90 O ATOM 0 H GLY A 55 -9.359 -1.983 0.304 1.00 4.55 H new ATOM 0 HA2 GLY A 55 -10.955 -0.681 -1.030 1.00 5.26 H new ATOM 0 HA3 GLY A 55 -10.196 -1.332 -2.469 1.00 5.26 H new ATOM 634 N THR A 56 -12.256 -2.776 -0.398 1.00 5.65 N ATOM 635 CA THR A 56 -13.186 -3.889 -0.301 1.00 6.13 C ATOM 636 C THR A 56 -14.620 -3.525 0.195 1.00 6.59 C ATOM 637 O THR A 56 -15.408 -3.009 -0.574 1.00 7.05 O ATOM 638 CB THR A 56 -12.591 -5.108 0.464 1.00 6.49 C ATOM 639 OG1 THR A 56 -11.316 -5.417 -0.092 1.00 6.69 O ATOM 640 CG2 THR A 56 -13.483 -6.340 0.360 1.00 6.70 C ATOM 0 H THR A 56 -12.351 -2.068 0.330 1.00 5.65 H new ATOM 0 HA THR A 56 -13.330 -4.191 -1.338 1.00 6.13 H new ATOM 0 HB THR A 56 -12.511 -4.839 1.517 1.00 6.49 H new ATOM 0 HG1 THR A 56 -10.798 -5.944 0.551 1.00 6.69 H new ATOM 0 HG21 THR A 56 -13.029 -7.165 0.908 1.00 6.70 H new ATOM 0 HG22 THR A 56 -14.462 -6.117 0.785 1.00 6.70 H new ATOM 0 HG23 THR A 56 -13.597 -6.619 -0.687 1.00 6.70 H new ATOM 648 N GLU A 57 -14.906 -3.775 1.486 1.00 6.75 N ATOM 649 CA GLU A 57 -16.234 -3.583 2.087 1.00 7.40 C ATOM 650 C GLU A 57 -17.338 -4.360 1.380 1.00 8.18 C ATOM 651 O GLU A 57 -17.564 -5.526 1.678 1.00 8.38 O ATOM 652 CB GLU A 57 -16.593 -2.118 2.315 1.00 7.59 C ATOM 653 CG GLU A 57 -15.730 -1.447 3.364 1.00 7.33 C ATOM 654 CD GLU A 57 -16.051 0.005 3.518 1.00 7.60 C ATOM 655 OE1 GLU A 57 -15.431 0.817 2.807 1.00 8.03 O ATOM 656 OE2 GLU A 57 -16.904 0.346 4.347 1.00 7.63 O ATOM 0 H GLU A 57 -14.211 -4.120 2.148 1.00 6.75 H new ATOM 0 HA GLU A 57 -16.156 -4.023 3.081 1.00 7.40 H new ATOM 0 HB2 GLU A 57 -16.496 -1.576 1.374 1.00 7.59 H new ATOM 0 HB3 GLU A 57 -17.638 -2.050 2.616 1.00 7.59 H new ATOM 0 HG2 GLU A 57 -15.867 -1.951 4.321 1.00 7.33 H new ATOM 0 HG3 GLU A 57 -14.680 -1.558 3.093 1.00 7.33 H new ATOM 663 N ASP A 58 -17.966 -3.742 0.429 1.00 8.77 N ATOM 664 CA ASP A 58 -19.056 -4.377 -0.318 1.00 9.67 C ATOM 665 C ASP A 58 -18.652 -4.808 -1.709 1.00 9.51 C ATOM 666 O ASP A 58 -19.487 -5.191 -2.536 1.00 10.10 O ATOM 667 CB ASP A 58 -20.351 -3.553 -0.317 1.00 10.59 C ATOM 668 CG ASP A 58 -21.281 -3.945 0.811 1.00 11.21 C ATOM 669 OD1 ASP A 58 -22.004 -4.938 0.678 1.00 11.70 O ATOM 670 OD2 ASP A 58 -21.281 -3.236 1.861 1.00 11.40 O ATOM 0 H ASP A 58 -17.755 -2.789 0.134 1.00 8.77 H new ATOM 0 HA ASP A 58 -19.279 -5.292 0.230 1.00 9.67 H new ATOM 0 HB2 ASP A 58 -20.105 -2.495 -0.231 1.00 10.59 H new ATOM 0 HB3 ASP A 58 -20.864 -3.685 -1.270 1.00 10.59 H new ATOM 675 N ARG A 59 -17.369 -4.805 -1.954 1.00 8.84 N ATOM 676 CA ARG A 59 -16.835 -5.282 -3.151 1.00 8.83 C ATOM 677 C ARG A 59 -15.763 -6.201 -2.789 1.00 8.12 C ATOM 678 O ARG A 59 -14.686 -5.758 -2.410 1.00 7.53 O ATOM 679 CB ARG A 59 -16.297 -4.159 -4.038 1.00 8.99 C ATOM 680 CG ARG A 59 -17.358 -3.340 -4.794 1.00 9.86 C ATOM 681 CD ARG A 59 -18.045 -4.143 -5.910 1.00 10.46 C ATOM 682 NE ARG A 59 -18.821 -5.312 -5.440 1.00 10.90 N ATOM 683 CZ ARG A 59 -18.970 -6.461 -6.145 1.00 11.61 C ATOM 684 NH1 ARG A 59 -18.344 -6.615 -7.328 1.00 11.96 N ATOM 685 NH2 ARG A 59 -19.730 -7.442 -5.669 1.00 12.15 N ATOM 0 H ARG A 59 -16.671 -4.458 -1.297 1.00 8.84 H new ATOM 0 HA ARG A 59 -17.614 -5.775 -3.733 1.00 8.83 H new ATOM 0 HB2 ARG A 59 -15.713 -3.479 -3.418 1.00 8.99 H new ATOM 0 HB3 ARG A 59 -15.612 -4.593 -4.767 1.00 8.99 H new ATOM 0 HG2 ARG A 59 -18.111 -2.990 -4.088 1.00 9.86 H new ATOM 0 HG3 ARG A 59 -16.889 -2.455 -5.225 1.00 9.86 H new ATOM 0 HD2 ARG A 59 -18.711 -3.479 -6.460 1.00 10.46 H new ATOM 0 HD3 ARG A 59 -17.286 -4.486 -6.613 1.00 10.46 H new ATOM 0 HE ARG A 59 -19.273 -5.250 -4.528 1.00 10.90 H new ATOM 0 HH11 ARG A 59 -17.756 -5.867 -7.695 1.00 11.96 H new ATOM 0 HH12 ARG A 59 -18.458 -7.480 -7.856 1.00 11.96 H new ATOM 0 HH21 ARG A 59 -20.203 -7.332 -4.772 1.00 12.15 H new ATOM 0 HH22 ARG A 59 -19.841 -8.305 -6.201 1.00 12.15 H new ATOM 699 N PRO A 60 -16.047 -7.509 -2.794 1.00 8.32 N ATOM 700 CA PRO A 60 -15.058 -8.499 -2.489 1.00 7.97 C ATOM 701 C PRO A 60 -13.954 -8.477 -3.516 1.00 7.54 C ATOM 702 O PRO A 60 -14.053 -9.131 -4.548 1.00 7.87 O ATOM 703 CB PRO A 60 -15.816 -9.845 -2.509 1.00 8.71 C ATOM 704 CG PRO A 60 -17.266 -9.480 -2.469 1.00 9.32 C ATOM 705 CD PRO A 60 -17.366 -8.111 -3.082 1.00 9.13 C ATOM 0 HA PRO A 60 -14.581 -8.323 -1.525 1.00 7.97 H new ATOM 0 HB2 PRO A 60 -15.579 -10.417 -3.406 1.00 8.71 H new ATOM 0 HB3 PRO A 60 -15.542 -10.464 -1.654 1.00 8.71 H new ATOM 0 HG2 PRO A 60 -17.865 -10.201 -3.025 1.00 9.32 H new ATOM 0 HG3 PRO A 60 -17.639 -9.477 -1.445 1.00 9.32 H new ATOM 0 HD2 PRO A 60 -17.558 -8.164 -4.154 1.00 9.13 H new ATOM 0 HD3 PRO A 60 -18.177 -7.532 -2.641 1.00 9.13 H new ATOM 713 N THR A 61 -12.980 -7.574 -3.282 1.00 7.06 N ATOM 714 CA THR A 61 -11.739 -7.476 -4.099 1.00 6.93 C ATOM 715 C THR A 61 -11.276 -8.862 -4.657 1.00 7.37 C ATOM 716 O THR A 61 -11.025 -8.987 -5.864 1.00 7.57 O ATOM 717 CB THR A 61 -10.561 -6.772 -3.302 1.00 6.40 C ATOM 718 OG1 THR A 61 -9.394 -6.656 -4.123 1.00 6.63 O ATOM 719 CG2 THR A 61 -10.194 -7.525 -2.012 1.00 6.24 C ATOM 0 H THR A 61 -13.025 -6.891 -2.525 1.00 7.06 H new ATOM 0 HA THR A 61 -11.991 -6.850 -4.955 1.00 6.93 H new ATOM 0 HB THR A 61 -10.923 -5.781 -3.026 1.00 6.40 H new ATOM 0 HG1 THR A 61 -8.679 -6.218 -3.615 1.00 6.63 H new ATOM 0 HG21 THR A 61 -9.383 -7.003 -1.504 1.00 6.24 H new ATOM 0 HG22 THR A 61 -11.064 -7.569 -1.357 1.00 6.24 H new ATOM 0 HG23 THR A 61 -9.874 -8.537 -2.260 1.00 6.24 H new ATOM 727 N ASP A 62 -11.196 -9.862 -3.775 1.00 7.84 N ATOM 728 CA ASP A 62 -10.833 -11.256 -4.091 1.00 8.59 C ATOM 729 C ASP A 62 -10.788 -12.035 -2.794 1.00 8.58 C ATOM 730 O ASP A 62 -11.729 -12.751 -2.443 1.00 9.09 O ATOM 731 CB ASP A 62 -9.464 -11.376 -4.834 1.00 9.39 C ATOM 732 CG ASP A 62 -9.026 -12.829 -5.090 1.00 10.02 C ATOM 733 OD1 ASP A 62 -9.480 -13.439 -6.081 1.00 10.54 O ATOM 734 OD2 ASP A 62 -8.193 -13.343 -4.300 1.00 10.17 O ATOM 0 H ASP A 62 -11.388 -9.723 -2.783 1.00 7.84 H new ATOM 0 HA ASP A 62 -11.585 -11.659 -4.770 1.00 8.59 H new ATOM 0 HB2 ASP A 62 -9.531 -10.852 -5.788 1.00 9.39 H new ATOM 0 HB3 ASP A 62 -8.696 -10.872 -4.247 1.00 9.39 H new ATOM 739 N ARG A 63 -9.732 -11.815 -2.046 1.00 8.24 N ATOM 740 CA ARG A 63 -9.512 -12.474 -0.770 1.00 8.47 C ATOM 741 C ARG A 63 -8.847 -11.529 0.267 1.00 7.71 C ATOM 742 O ARG A 63 -9.437 -11.254 1.307 1.00 7.62 O ATOM 743 CB ARG A 63 -8.667 -13.761 -0.931 1.00 9.43 C ATOM 744 CG ARG A 63 -9.325 -14.911 -1.658 1.00 10.10 C ATOM 745 CD ARG A 63 -8.321 -16.021 -1.885 1.00 10.99 C ATOM 746 NE ARG A 63 -8.948 -17.251 -2.398 1.00 11.57 N ATOM 747 CZ ARG A 63 -8.338 -18.183 -3.156 1.00 12.49 C ATOM 748 NH1 ARG A 63 -7.084 -17.991 -3.595 1.00 12.92 N ATOM 749 NH2 ARG A 63 -8.996 -19.306 -3.488 1.00 13.10 N ATOM 0 H ARG A 63 -8.989 -11.166 -2.306 1.00 8.24 H new ATOM 0 HA ARG A 63 -10.497 -12.750 -0.394 1.00 8.47 H new ATOM 0 HB2 ARG A 63 -7.749 -13.503 -1.460 1.00 9.43 H new ATOM 0 HB3 ARG A 63 -8.377 -14.106 0.062 1.00 9.43 H new ATOM 0 HG2 ARG A 63 -10.168 -15.285 -1.077 1.00 10.10 H new ATOM 0 HG3 ARG A 63 -9.723 -14.568 -2.613 1.00 10.10 H new ATOM 0 HD2 ARG A 63 -7.562 -15.682 -2.591 1.00 10.99 H new ATOM 0 HD3 ARG A 63 -7.809 -16.241 -0.948 1.00 10.99 H new ATOM 0 HE ARG A 63 -9.927 -17.411 -2.159 1.00 11.57 H new ATOM 0 HH11 ARG A 63 -6.585 -17.134 -3.355 1.00 12.92 H new ATOM 0 HH12 ARG A 63 -6.630 -18.702 -4.168 1.00 12.92 H new ATOM 0 HH21 ARG A 63 -9.953 -19.450 -3.166 1.00 13.10 H new ATOM 0 HH22 ARG A 63 -8.538 -20.014 -4.062 1.00 13.10 H new ATOM 763 N PRO A 64 -7.590 -11.025 0.005 1.00 7.39 N ATOM 764 CA PRO A 64 -6.861 -10.193 0.972 1.00 6.90 C ATOM 765 C PRO A 64 -7.556 -8.852 1.393 1.00 6.03 C ATOM 766 O PRO A 64 -7.595 -7.875 0.642 1.00 6.04 O ATOM 767 CB PRO A 64 -5.502 -9.930 0.286 1.00 7.33 C ATOM 768 CG PRO A 64 -5.740 -10.185 -1.167 1.00 7.79 C ATOM 769 CD PRO A 64 -6.764 -11.256 -1.227 1.00 7.79 C ATOM 0 HA PRO A 64 -6.793 -10.718 1.925 1.00 6.90 H new ATOM 0 HB2 PRO A 64 -5.167 -8.907 0.456 1.00 7.33 H new ATOM 0 HB3 PRO A 64 -4.728 -10.589 0.680 1.00 7.33 H new ATOM 0 HG2 PRO A 64 -6.088 -9.283 -1.670 1.00 7.79 H new ATOM 0 HG3 PRO A 64 -4.821 -10.494 -1.665 1.00 7.79 H new ATOM 0 HD2 PRO A 64 -7.366 -11.184 -2.133 1.00 7.79 H new ATOM 0 HD3 PRO A 64 -6.309 -12.246 -1.224 1.00 7.79 H new ATOM 777 N ILE A 65 -8.126 -8.859 2.577 1.00 5.53 N ATOM 778 CA ILE A 65 -8.658 -7.653 3.219 1.00 4.81 C ATOM 779 C ILE A 65 -7.891 -7.484 4.524 1.00 4.50 C ATOM 780 O ILE A 65 -7.430 -8.488 5.123 1.00 4.92 O ATOM 781 CB ILE A 65 -10.152 -7.821 3.642 1.00 4.79 C ATOM 782 CG1 ILE A 65 -10.988 -8.459 2.523 1.00 5.45 C ATOM 783 CG2 ILE A 65 -10.745 -6.438 4.022 1.00 4.94 C ATOM 784 CD1 ILE A 65 -12.426 -8.732 2.927 1.00 5.96 C ATOM 0 H ILE A 65 -8.240 -9.705 3.136 1.00 5.53 H new ATOM 0 HA ILE A 65 -8.567 -6.822 2.519 1.00 4.81 H new ATOM 0 HB ILE A 65 -10.186 -8.487 4.504 1.00 4.79 H new ATOM 0 HG12 ILE A 65 -10.981 -7.801 1.654 1.00 5.45 H new ATOM 0 HG13 ILE A 65 -10.520 -9.395 2.218 1.00 5.45 H new ATOM 0 HG21 ILE A 65 -11.788 -6.558 4.317 1.00 4.94 H new ATOM 0 HG22 ILE A 65 -10.179 -6.015 4.852 1.00 4.94 H new ATOM 0 HG23 ILE A 65 -10.685 -5.768 3.164 1.00 4.94 H new ATOM 0 HD11 ILE A 65 -12.960 -9.183 2.090 1.00 5.96 H new ATOM 0 HD12 ILE A 65 -12.442 -9.414 3.777 1.00 5.96 H new ATOM 0 HD13 ILE A 65 -12.910 -7.796 3.204 1.00 5.96 H new ATOM 796 N ALA A 66 -7.682 -6.274 4.936 1.00 4.20 N ATOM 797 CA ALA A 66 -7.141 -6.036 6.246 1.00 4.33 C ATOM 798 C ALA A 66 -8.271 -5.602 7.186 1.00 4.07 C ATOM 799 O ALA A 66 -8.691 -4.466 7.151 1.00 3.75 O ATOM 800 CB ALA A 66 -6.026 -5.004 6.216 1.00 4.69 C ATOM 0 H ALA A 66 -7.875 -5.434 4.390 1.00 4.20 H new ATOM 0 HA ALA A 66 -6.700 -6.962 6.615 1.00 4.33 H new ATOM 0 HB1 ALA A 66 -5.643 -4.852 7.225 1.00 4.69 H new ATOM 0 HB2 ALA A 66 -5.221 -5.357 5.572 1.00 4.69 H new ATOM 0 HB3 ALA A 66 -6.413 -4.061 5.829 1.00 4.69 H new ATOM 806 N PRO A 67 -8.803 -6.514 8.020 1.00 4.67 N ATOM 807 CA PRO A 67 -9.901 -6.186 8.946 1.00 4.98 C ATOM 808 C PRO A 67 -9.378 -5.542 10.234 1.00 4.85 C ATOM 809 O PRO A 67 -10.107 -5.358 11.212 1.00 5.44 O ATOM 810 CB PRO A 67 -10.564 -7.537 9.222 1.00 5.97 C ATOM 811 CG PRO A 67 -9.519 -8.584 8.928 1.00 6.19 C ATOM 812 CD PRO A 67 -8.402 -7.932 8.132 1.00 5.51 C ATOM 0 HA PRO A 67 -10.596 -5.457 8.529 1.00 4.98 H new ATOM 0 HB2 PRO A 67 -10.900 -7.602 10.257 1.00 5.97 H new ATOM 0 HB3 PRO A 67 -11.443 -7.676 8.592 1.00 5.97 H new ATOM 0 HG2 PRO A 67 -9.130 -9.003 9.856 1.00 6.19 H new ATOM 0 HG3 PRO A 67 -9.956 -9.409 8.365 1.00 6.19 H new ATOM 0 HD2 PRO A 67 -7.442 -8.034 8.639 1.00 5.51 H new ATOM 0 HD3 PRO A 67 -8.294 -8.392 7.150 1.00 5.51 H new ATOM 820 N ARG A 68 -8.104 -5.176 10.169 1.00 4.34 N ATOM 821 CA ARG A 68 -7.352 -4.519 11.247 1.00 4.37 C ATOM 822 C ARG A 68 -7.037 -5.477 12.398 1.00 4.47 C ATOM 823 O ARG A 68 -7.808 -5.615 13.347 1.00 5.10 O ATOM 824 CB ARG A 68 -8.020 -3.206 11.758 1.00 5.11 C ATOM 825 CG ARG A 68 -7.253 -2.517 12.898 1.00 5.88 C ATOM 826 CD ARG A 68 -7.924 -1.226 13.350 1.00 6.72 C ATOM 827 NE ARG A 68 -7.207 -0.598 14.488 1.00 7.26 N ATOM 828 CZ ARG A 68 -7.278 0.708 14.850 1.00 8.17 C ATOM 829 NH1 ARG A 68 -8.065 1.568 14.180 1.00 8.64 N ATOM 830 NH2 ARG A 68 -6.595 1.135 15.905 1.00 8.80 N ATOM 0 H ARG A 68 -7.539 -5.332 9.335 1.00 4.34 H new ATOM 0 HA ARG A 68 -6.404 -4.221 10.800 1.00 4.37 H new ATOM 0 HB2 ARG A 68 -8.114 -2.510 10.924 1.00 5.11 H new ATOM 0 HB3 ARG A 68 -9.030 -3.433 12.099 1.00 5.11 H new ATOM 0 HG2 ARG A 68 -7.175 -3.199 13.745 1.00 5.88 H new ATOM 0 HG3 ARG A 68 -6.237 -2.300 12.570 1.00 5.88 H new ATOM 0 HD2 ARG A 68 -7.964 -0.526 12.515 1.00 6.72 H new ATOM 0 HD3 ARG A 68 -8.954 -1.435 13.640 1.00 6.72 H new ATOM 0 HE ARG A 68 -6.607 -1.203 15.049 1.00 7.26 H new ATOM 0 HH11 ARG A 68 -8.619 1.242 13.388 1.00 8.64 H new ATOM 0 HH12 ARG A 68 -8.108 2.547 14.464 1.00 8.64 H new ATOM 0 HH21 ARG A 68 -6.021 0.483 16.439 1.00 8.80 H new ATOM 0 HH22 ARG A 68 -6.644 2.115 16.182 1.00 8.80 H new ATOM 844 N ASP A 69 -5.909 -6.142 12.279 1.00 4.27 N ATOM 845 CA ASP A 69 -5.424 -7.060 13.303 1.00 4.77 C ATOM 846 C ASP A 69 -3.963 -6.765 13.564 1.00 4.67 C ATOM 847 O ASP A 69 -3.597 -6.138 14.571 1.00 5.15 O ATOM 848 CB ASP A 69 -5.542 -8.541 12.852 1.00 5.35 C ATOM 849 CG ASP A 69 -6.939 -9.019 12.598 1.00 6.03 C ATOM 850 OD1 ASP A 69 -7.421 -8.883 11.453 1.00 6.30 O ATOM 851 OD2 ASP A 69 -7.554 -9.585 13.527 1.00 6.55 O ATOM 0 H ASP A 69 -5.295 -6.065 11.468 1.00 4.27 H new ATOM 0 HA ASP A 69 -6.031 -6.919 14.197 1.00 4.77 H new ATOM 0 HB2 ASP A 69 -4.958 -8.675 11.942 1.00 5.35 H new ATOM 0 HB3 ASP A 69 -5.091 -9.174 13.616 1.00 5.35 H new ATOM 856 N GLU A 70 -3.150 -7.175 12.600 1.00 4.43 N ATOM 857 CA GLU A 70 -1.715 -7.100 12.625 1.00 4.73 C ATOM 858 C GLU A 70 -1.237 -7.746 11.334 1.00 4.23 C ATOM 859 O GLU A 70 -2.056 -7.985 10.434 1.00 4.51 O ATOM 860 CB GLU A 70 -1.120 -7.802 13.874 1.00 5.46 C ATOM 861 CG GLU A 70 -1.441 -9.279 14.020 1.00 6.15 C ATOM 862 CD GLU A 70 -0.810 -9.863 15.264 1.00 6.83 C ATOM 863 OE1 GLU A 70 0.343 -10.292 15.195 1.00 7.39 O ATOM 864 OE2 GLU A 70 -1.467 -9.880 16.325 1.00 7.05 O ATOM 0 H GLU A 70 -3.504 -7.590 11.738 1.00 4.43 H new ATOM 0 HA GLU A 70 -1.380 -6.065 12.693 1.00 4.73 H new ATOM 0 HB2 GLU A 70 -0.036 -7.686 13.850 1.00 5.46 H new ATOM 0 HB3 GLU A 70 -1.477 -7.283 14.763 1.00 5.46 H new ATOM 0 HG2 GLU A 70 -2.522 -9.415 14.061 1.00 6.15 H new ATOM 0 HG3 GLU A 70 -1.085 -9.818 13.142 1.00 6.15 H new ATOM 871 N THR A 71 0.034 -8.021 11.218 1.00 3.85 N ATOM 872 CA THR A 71 0.580 -8.549 9.985 1.00 3.57 C ATOM 873 C THR A 71 1.861 -9.310 10.304 1.00 3.98 C ATOM 874 O THR A 71 2.568 -8.938 11.222 1.00 4.61 O ATOM 875 CB THR A 71 0.896 -7.359 9.028 1.00 3.35 C ATOM 876 OG1 THR A 71 -0.297 -6.611 8.791 1.00 3.73 O ATOM 877 CG2 THR A 71 1.478 -7.813 7.691 1.00 3.20 C ATOM 0 H THR A 71 0.718 -7.889 11.963 1.00 3.85 H new ATOM 0 HA THR A 71 -0.133 -9.221 9.507 1.00 3.57 H new ATOM 0 HB THR A 71 1.650 -6.743 9.519 1.00 3.35 H new ATOM 0 HG1 THR A 71 -0.793 -7.013 8.047 1.00 3.73 H new ATOM 0 HG21 THR A 71 1.678 -6.942 7.067 1.00 3.20 H new ATOM 0 HG22 THR A 71 2.407 -8.356 7.864 1.00 3.20 H new ATOM 0 HG23 THR A 71 0.765 -8.465 7.187 1.00 3.20 H new ATOM 885 N PHE A 72 2.131 -10.381 9.564 1.00 3.94 N ATOM 886 CA PHE A 72 3.351 -11.165 9.739 1.00 4.53 C ATOM 887 C PHE A 72 4.293 -10.866 8.583 1.00 4.27 C ATOM 888 O PHE A 72 5.514 -10.985 8.701 1.00 4.46 O ATOM 889 CB PHE A 72 3.025 -12.668 9.725 1.00 5.25 C ATOM 890 CG PHE A 72 2.042 -13.107 10.776 1.00 5.93 C ATOM 891 CD1 PHE A 72 2.466 -13.349 12.085 1.00 6.31 C ATOM 892 CD2 PHE A 72 0.696 -13.256 10.472 1.00 6.46 C ATOM 893 CE1 PHE A 72 1.563 -13.746 13.057 1.00 7.11 C ATOM 894 CE2 PHE A 72 -0.205 -13.655 11.444 1.00 7.32 C ATOM 895 CZ PHE A 72 0.213 -13.947 12.705 1.00 7.60 C ATOM 0 H PHE A 72 1.515 -10.729 8.830 1.00 3.94 H new ATOM 0 HA PHE A 72 3.810 -10.903 10.692 1.00 4.53 H new ATOM 0 HB2 PHE A 72 2.629 -12.931 8.744 1.00 5.25 H new ATOM 0 HB3 PHE A 72 3.951 -13.228 9.856 1.00 5.25 H new ATOM 0 HD1 PHE A 72 3.508 -13.225 12.341 1.00 6.31 H new ATOM 0 HD2 PHE A 72 0.349 -13.059 9.469 1.00 6.46 H new ATOM 0 HE1 PHE A 72 1.890 -13.900 14.075 1.00 7.11 H new ATOM 0 HE2 PHE A 72 -1.254 -13.736 11.198 1.00 7.32 H new ATOM 0 HZ PHE A 72 -0.486 -14.331 13.433 1.00 7.60 H new ATOM 905 N GLU A 73 3.683 -10.464 7.469 1.00 4.23 N ATOM 906 CA GLU A 73 4.340 -10.168 6.192 1.00 4.34 C ATOM 907 C GLU A 73 5.243 -8.910 6.263 1.00 3.40 C ATOM 908 O GLU A 73 5.929 -8.589 5.304 1.00 3.76 O ATOM 909 CB GLU A 73 3.291 -9.964 5.059 1.00 5.08 C ATOM 910 CG GLU A 73 2.160 -11.025 4.957 1.00 5.69 C ATOM 911 CD GLU A 73 1.021 -10.821 5.970 1.00 6.39 C ATOM 912 OE1 GLU A 73 1.169 -11.204 7.156 1.00 6.72 O ATOM 913 OE2 GLU A 73 -0.015 -10.250 5.595 1.00 6.86 O ATOM 0 H GLU A 73 2.673 -10.329 7.428 1.00 4.23 H new ATOM 0 HA GLU A 73 4.968 -11.031 5.971 1.00 4.34 H new ATOM 0 HB2 GLU A 73 2.829 -8.986 5.195 1.00 5.08 H new ATOM 0 HB3 GLU A 73 3.820 -9.937 4.106 1.00 5.08 H new ATOM 0 HG2 GLU A 73 1.745 -11.004 3.949 1.00 5.69 H new ATOM 0 HG3 GLU A 73 2.590 -12.016 5.104 1.00 5.69 H new ATOM 920 N TYR A 74 5.195 -8.194 7.378 1.00 2.52 N ATOM 921 CA TYR A 74 5.927 -6.935 7.532 1.00 1.62 C ATOM 922 C TYR A 74 7.444 -7.130 7.476 1.00 1.55 C ATOM 923 O TYR A 74 7.968 -8.155 7.936 1.00 2.04 O ATOM 924 CB TYR A 74 5.525 -6.201 8.816 1.00 1.64 C ATOM 925 CG TYR A 74 5.966 -6.853 10.094 1.00 2.33 C ATOM 926 CD1 TYR A 74 5.316 -7.974 10.563 1.00 2.84 C ATOM 927 CD2 TYR A 74 7.014 -6.354 10.820 1.00 3.09 C ATOM 928 CE1 TYR A 74 5.714 -8.598 11.721 1.00 3.84 C ATOM 929 CE2 TYR A 74 7.430 -6.963 11.995 1.00 4.10 C ATOM 930 CZ TYR A 74 6.792 -8.024 12.463 1.00 4.41 C ATOM 931 OH TYR A 74 7.159 -8.708 13.600 1.00 5.54 O ATOM 0 H TYR A 74 4.653 -8.463 8.199 1.00 2.52 H new ATOM 0 HA TYR A 74 5.647 -6.314 6.681 1.00 1.62 H new ATOM 0 HB2 TYR A 74 5.936 -5.192 8.782 1.00 1.64 H new ATOM 0 HB3 TYR A 74 4.440 -6.102 8.834 1.00 1.64 H new ATOM 0 HD1 TYR A 74 4.477 -8.370 10.010 1.00 2.84 H new ATOM 0 HD2 TYR A 74 7.527 -5.470 10.471 1.00 3.09 H new ATOM 0 HE1 TYR A 74 5.225 -9.499 12.061 1.00 3.84 H new ATOM 0 HE2 TYR A 74 8.280 -6.569 12.532 1.00 4.10 H new ATOM 0 HH TYR A 74 7.902 -8.241 14.037 1.00 5.54 H new ATOM 941 N ILE A 75 8.139 -6.143 6.934 1.00 1.22 N ATOM 942 CA ILE A 75 9.575 -6.204 6.777 1.00 1.39 C ATOM 943 C ILE A 75 10.165 -4.787 6.652 1.00 0.98 C ATOM 944 O ILE A 75 9.569 -3.905 6.028 1.00 1.15 O ATOM 945 CB ILE A 75 9.972 -7.088 5.543 1.00 2.16 C ATOM 946 CG1 ILE A 75 11.505 -7.143 5.360 1.00 2.78 C ATOM 947 CG2 ILE A 75 9.271 -6.621 4.261 1.00 2.77 C ATOM 948 CD1 ILE A 75 11.971 -8.012 4.207 1.00 3.80 C ATOM 0 H ILE A 75 7.719 -5.279 6.592 1.00 1.22 H new ATOM 0 HA ILE A 75 9.994 -6.672 7.668 1.00 1.39 H new ATOM 0 HB ILE A 75 9.628 -8.102 5.747 1.00 2.16 H new ATOM 0 HG12 ILE A 75 11.876 -6.130 5.208 1.00 2.78 H new ATOM 0 HG13 ILE A 75 11.955 -7.512 6.282 1.00 2.78 H new ATOM 0 HG21 ILE A 75 9.572 -7.258 3.429 1.00 2.77 H new ATOM 0 HG22 ILE A 75 8.191 -6.683 4.394 1.00 2.77 H new ATOM 0 HG23 ILE A 75 9.552 -5.590 4.048 1.00 2.77 H new ATOM 0 HD11 ILE A 75 13.059 -7.992 4.153 1.00 3.80 H new ATOM 0 HD12 ILE A 75 11.634 -9.037 4.364 1.00 3.80 H new ATOM 0 HD13 ILE A 75 11.554 -7.633 3.274 1.00 3.80 H new ATOM 960 N ILE A 76 11.312 -4.576 7.271 1.00 0.97 N ATOM 961 CA ILE A 76 11.979 -3.289 7.262 1.00 0.87 C ATOM 962 C ILE A 76 13.137 -3.354 6.265 1.00 0.78 C ATOM 963 O ILE A 76 13.873 -4.337 6.234 1.00 1.17 O ATOM 964 CB ILE A 76 12.539 -2.944 8.680 1.00 1.64 C ATOM 965 CG1 ILE A 76 11.421 -3.009 9.744 1.00 2.14 C ATOM 966 CG2 ILE A 76 13.220 -1.570 8.701 1.00 1.87 C ATOM 967 CD1 ILE A 76 10.255 -2.077 9.496 1.00 2.42 C ATOM 0 H ILE A 76 11.808 -5.296 7.796 1.00 0.97 H new ATOM 0 HA ILE A 76 11.265 -2.516 6.977 1.00 0.87 H new ATOM 0 HB ILE A 76 13.293 -3.693 8.922 1.00 1.64 H new ATOM 0 HG12 ILE A 76 11.046 -4.031 9.795 1.00 2.14 H new ATOM 0 HG13 ILE A 76 11.852 -2.778 10.718 1.00 2.14 H new ATOM 0 HG21 ILE A 76 13.596 -1.366 9.703 1.00 1.87 H new ATOM 0 HG22 ILE A 76 14.049 -1.564 7.994 1.00 1.87 H new ATOM 0 HG23 ILE A 76 12.499 -0.802 8.421 1.00 1.87 H new ATOM 0 HD11 ILE A 76 9.521 -2.192 10.293 1.00 2.42 H new ATOM 0 HD12 ILE A 76 10.610 -1.047 9.476 1.00 2.42 H new ATOM 0 HD13 ILE A 76 9.793 -2.319 8.539 1.00 2.42 H new ATOM 979 N PHE A 77 13.289 -2.332 5.447 1.00 0.64 N ATOM 980 CA PHE A 77 14.337 -2.319 4.446 1.00 0.75 C ATOM 981 C PHE A 77 15.390 -1.309 4.831 1.00 0.68 C ATOM 982 O PHE A 77 15.074 -0.299 5.451 1.00 0.65 O ATOM 983 CB PHE A 77 13.770 -1.975 3.062 1.00 1.02 C ATOM 984 CG PHE A 77 12.761 -2.967 2.552 1.00 1.18 C ATOM 985 CD1 PHE A 77 13.163 -4.085 1.837 1.00 1.44 C ATOM 986 CD2 PHE A 77 11.411 -2.779 2.789 1.00 1.69 C ATOM 987 CE1 PHE A 77 12.236 -4.992 1.372 1.00 1.87 C ATOM 988 CE2 PHE A 77 10.480 -3.689 2.321 1.00 2.31 C ATOM 989 CZ PHE A 77 10.907 -4.807 1.607 1.00 2.30 C ATOM 0 H PHE A 77 12.700 -1.499 5.456 1.00 0.64 H new ATOM 0 HA PHE A 77 14.781 -3.313 4.397 1.00 0.75 H new ATOM 0 HB2 PHE A 77 13.306 -0.990 3.105 1.00 1.02 H new ATOM 0 HB3 PHE A 77 14.592 -1.909 2.350 1.00 1.02 H new ATOM 0 HD1 PHE A 77 14.213 -4.246 1.643 1.00 1.44 H new ATOM 0 HD2 PHE A 77 11.081 -1.914 3.345 1.00 1.69 H new ATOM 0 HE1 PHE A 77 12.566 -5.857 0.816 1.00 1.87 H new ATOM 0 HE2 PHE A 77 9.428 -3.534 2.508 1.00 2.31 H new ATOM 0 HZ PHE A 77 10.187 -5.524 1.241 1.00 2.30 H new ATOM 999 N ARG A 78 16.629 -1.542 4.431 1.00 0.76 N ATOM 1000 CA ARG A 78 17.713 -0.621 4.779 1.00 0.80 C ATOM 1001 C ARG A 78 17.749 0.585 3.832 1.00 0.71 C ATOM 1002 O ARG A 78 18.699 1.371 3.840 1.00 1.01 O ATOM 1003 CB ARG A 78 19.097 -1.312 4.814 1.00 1.04 C ATOM 1004 CG ARG A 78 19.324 -2.337 5.940 1.00 1.36 C ATOM 1005 CD ARG A 78 18.403 -3.554 5.870 1.00 1.38 C ATOM 1006 NE ARG A 78 18.571 -4.313 4.630 1.00 2.06 N ATOM 1007 CZ ARG A 78 18.464 -5.649 4.524 1.00 2.69 C ATOM 1008 NH1 ARG A 78 18.157 -6.392 5.598 1.00 3.02 N ATOM 1009 NH2 ARG A 78 18.632 -6.231 3.349 1.00 3.45 N ATOM 0 H ARG A 78 16.913 -2.347 3.873 1.00 0.76 H new ATOM 0 HA ARG A 78 17.498 -0.270 5.788 1.00 0.80 H new ATOM 0 HB2 ARG A 78 19.252 -1.814 3.859 1.00 1.04 H new ATOM 0 HB3 ARG A 78 19.862 -0.540 4.896 1.00 1.04 H new ATOM 0 HG2 ARG A 78 20.359 -2.676 5.905 1.00 1.36 H new ATOM 0 HG3 ARG A 78 19.183 -1.842 6.901 1.00 1.36 H new ATOM 0 HD2 ARG A 78 18.602 -4.206 6.721 1.00 1.38 H new ATOM 0 HD3 ARG A 78 17.367 -3.227 5.954 1.00 1.38 H new ATOM 0 HE ARG A 78 18.786 -3.789 3.782 1.00 2.06 H new ATOM 0 HH11 ARG A 78 18.003 -5.944 6.501 1.00 3.02 H new ATOM 0 HH12 ARG A 78 18.077 -7.405 5.511 1.00 3.02 H new ATOM 0 HH21 ARG A 78 18.842 -5.667 2.526 1.00 3.45 H new ATOM 0 HH22 ARG A 78 18.551 -7.244 3.266 1.00 3.45 H new ATOM 1023 N GLY A 79 16.703 0.722 3.018 1.00 0.66 N ATOM 1024 CA GLY A 79 16.567 1.867 2.142 1.00 0.72 C ATOM 1025 C GLY A 79 17.304 1.675 0.885 1.00 0.64 C ATOM 1026 O GLY A 79 16.725 1.649 -0.180 1.00 0.76 O ATOM 0 H GLY A 79 15.940 0.048 2.953 1.00 0.66 H new ATOM 0 HA2 GLY A 79 15.512 2.036 1.924 1.00 0.72 H new ATOM 0 HA3 GLY A 79 16.935 2.759 2.648 1.00 0.72 H new ATOM 1030 N SER A 80 18.594 1.515 1.010 1.00 0.62 N ATOM 1031 CA SER A 80 19.465 1.253 -0.143 1.00 0.79 C ATOM 1032 C SER A 80 19.088 -0.112 -0.848 1.00 0.77 C ATOM 1033 O SER A 80 19.525 -0.393 -1.963 1.00 1.04 O ATOM 1034 CB SER A 80 20.943 1.271 0.321 1.00 0.94 C ATOM 1035 OG SER A 80 21.860 1.188 -0.764 1.00 1.64 O ATOM 0 H SER A 80 19.085 1.559 1.903 1.00 0.62 H new ATOM 0 HA SER A 80 19.322 2.037 -0.887 1.00 0.79 H new ATOM 0 HB2 SER A 80 21.132 2.186 0.882 1.00 0.94 H new ATOM 0 HB3 SER A 80 21.116 0.438 1.002 1.00 0.94 H new ATOM 0 HG SER A 80 22.777 1.205 -0.419 1.00 1.64 H new ATOM 1041 N ASP A 81 18.250 -0.920 -0.180 1.00 0.61 N ATOM 1042 CA ASP A 81 17.791 -2.223 -0.701 1.00 0.76 C ATOM 1043 C ASP A 81 16.627 -2.080 -1.660 1.00 0.58 C ATOM 1044 O ASP A 81 16.104 -3.096 -2.157 1.00 0.63 O ATOM 1045 CB ASP A 81 17.311 -3.145 0.438 1.00 0.99 C ATOM 1046 CG ASP A 81 18.363 -3.564 1.404 1.00 1.58 C ATOM 1047 OD1 ASP A 81 18.567 -2.844 2.392 1.00 1.92 O ATOM 1048 OD2 ASP A 81 18.959 -4.644 1.223 1.00 2.00 O ATOM 0 H ASP A 81 17.869 -0.691 0.738 1.00 0.61 H new ATOM 0 HA ASP A 81 18.653 -2.648 -1.215 1.00 0.76 H new ATOM 0 HB2 ASP A 81 16.519 -2.635 0.987 1.00 0.99 H new ATOM 0 HB3 ASP A 81 16.869 -4.039 -0.002 1.00 0.99 H new ATOM 1053 N ILE A 82 16.173 -0.870 -1.898 1.00 0.49 N ATOM 1054 CA ILE A 82 15.029 -0.703 -2.778 1.00 0.42 C ATOM 1055 C ILE A 82 15.409 -0.782 -4.263 1.00 0.38 C ATOM 1056 O ILE A 82 16.478 -0.333 -4.666 1.00 0.47 O ATOM 1057 CB ILE A 82 14.136 0.558 -2.439 1.00 0.49 C ATOM 1058 CG1 ILE A 82 14.874 1.926 -2.588 1.00 0.96 C ATOM 1059 CG2 ILE A 82 13.579 0.434 -1.020 1.00 0.89 C ATOM 1060 CD1 ILE A 82 15.168 2.392 -4.007 1.00 1.70 C ATOM 0 H ILE A 82 16.560 -0.010 -1.511 1.00 0.49 H new ATOM 0 HA ILE A 82 14.388 -1.562 -2.577 1.00 0.42 H new ATOM 0 HB ILE A 82 13.333 0.561 -3.176 1.00 0.49 H new ATOM 0 HG12 ILE A 82 14.275 2.692 -2.096 1.00 0.96 H new ATOM 0 HG13 ILE A 82 15.818 1.864 -2.047 1.00 0.96 H new ATOM 0 HG21 ILE A 82 12.965 1.305 -0.793 1.00 0.89 H new ATOM 0 HG22 ILE A 82 12.971 -0.468 -0.945 1.00 0.89 H new ATOM 0 HG23 ILE A 82 14.403 0.376 -0.309 1.00 0.89 H new ATOM 0 HD11 ILE A 82 15.682 3.353 -3.975 1.00 1.70 H new ATOM 0 HD12 ILE A 82 15.800 1.658 -4.507 1.00 1.70 H new ATOM 0 HD13 ILE A 82 14.232 2.499 -4.556 1.00 1.70 H new ATOM 1072 N LYS A 83 14.561 -1.421 -5.052 1.00 0.34 N ATOM 1073 CA LYS A 83 14.732 -1.455 -6.481 1.00 0.36 C ATOM 1074 C LYS A 83 13.893 -0.358 -7.104 1.00 0.38 C ATOM 1075 O LYS A 83 14.404 0.510 -7.812 1.00 0.58 O ATOM 1076 CB LYS A 83 14.317 -2.806 -7.038 1.00 0.50 C ATOM 1077 CG LYS A 83 14.487 -2.919 -8.546 1.00 0.86 C ATOM 1078 CD LYS A 83 15.954 -2.792 -8.993 1.00 0.97 C ATOM 1079 CE LYS A 83 16.789 -3.987 -8.554 1.00 1.01 C ATOM 1080 NZ LYS A 83 16.367 -5.241 -9.224 1.00 1.59 N ATOM 0 H LYS A 83 13.741 -1.926 -4.715 1.00 0.34 H new ATOM 0 HA LYS A 83 15.784 -1.297 -6.720 1.00 0.36 H new ATOM 0 HB2 LYS A 83 14.906 -3.586 -6.555 1.00 0.50 H new ATOM 0 HB3 LYS A 83 13.273 -2.990 -6.783 1.00 0.50 H new ATOM 0 HG2 LYS A 83 14.092 -3.878 -8.880 1.00 0.86 H new ATOM 0 HG3 LYS A 83 13.895 -2.144 -9.033 1.00 0.86 H new ATOM 0 HD2 LYS A 83 15.996 -2.700 -10.078 1.00 0.97 H new ATOM 0 HD3 LYS A 83 16.382 -1.879 -8.579 1.00 0.97 H new ATOM 0 HE2 LYS A 83 17.839 -3.795 -8.774 1.00 1.01 H new ATOM 0 HE3 LYS A 83 16.707 -4.109 -7.474 1.00 1.01 H new ATOM 0 HZ1 LYS A 83 17.044 -5.998 -9.001 1.00 1.59 H new ATOM 0 HZ2 LYS A 83 15.421 -5.512 -8.888 1.00 1.59 H new ATOM 0 HZ3 LYS A 83 16.340 -5.093 -10.253 1.00 1.59 H new ATOM 1094 N ASP A 84 12.610 -0.396 -6.807 1.00 0.34 N ATOM 1095 CA ASP A 84 11.664 0.602 -7.290 1.00 0.44 C ATOM 1096 C ASP A 84 10.761 1.000 -6.153 1.00 0.48 C ATOM 1097 O ASP A 84 10.345 0.145 -5.350 1.00 0.78 O ATOM 1098 CB ASP A 84 10.814 0.076 -8.460 1.00 0.77 C ATOM 1099 CG ASP A 84 9.860 1.139 -9.014 1.00 1.37 C ATOM 1100 OD1 ASP A 84 10.255 1.906 -9.915 1.00 1.49 O ATOM 1101 OD2 ASP A 84 8.709 1.209 -8.555 1.00 2.22 O ATOM 0 H ASP A 84 12.189 -1.119 -6.224 1.00 0.34 H new ATOM 0 HA ASP A 84 12.229 1.459 -7.657 1.00 0.44 H new ATOM 0 HB2 ASP A 84 11.472 -0.268 -9.258 1.00 0.77 H new ATOM 0 HB3 ASP A 84 10.238 -0.787 -8.127 1.00 0.77 H new ATOM 1106 N LEU A 85 10.482 2.274 -6.068 1.00 0.48 N ATOM 1107 CA LEU A 85 9.651 2.827 -5.034 1.00 0.72 C ATOM 1108 C LEU A 85 8.698 3.818 -5.698 1.00 0.61 C ATOM 1109 O LEU A 85 9.089 4.944 -6.007 1.00 0.86 O ATOM 1110 CB LEU A 85 10.559 3.561 -4.009 1.00 1.47 C ATOM 1111 CG LEU A 85 9.898 4.117 -2.736 1.00 2.12 C ATOM 1112 CD1 LEU A 85 9.396 2.987 -1.851 1.00 2.79 C ATOM 1113 CD2 LEU A 85 10.873 4.995 -1.963 1.00 2.86 C ATOM 0 H LEU A 85 10.833 2.968 -6.728 1.00 0.48 H new ATOM 0 HA LEU A 85 9.086 2.053 -4.515 1.00 0.72 H new ATOM 0 HB2 LEU A 85 11.346 2.871 -3.704 1.00 1.47 H new ATOM 0 HB3 LEU A 85 11.044 4.390 -4.524 1.00 1.47 H new ATOM 0 HG LEU A 85 9.046 4.725 -3.038 1.00 2.12 H new ATOM 0 HD11 LEU A 85 8.932 3.404 -0.957 1.00 2.79 H new ATOM 0 HD12 LEU A 85 8.662 2.395 -2.398 1.00 2.79 H new ATOM 0 HD13 LEU A 85 10.233 2.351 -1.563 1.00 2.79 H new ATOM 0 HD21 LEU A 85 10.386 5.378 -1.066 1.00 2.86 H new ATOM 0 HD22 LEU A 85 11.745 4.407 -1.679 1.00 2.86 H new ATOM 0 HD23 LEU A 85 11.187 5.830 -2.590 1.00 2.86 H new ATOM 1125 N THR A 86 7.476 3.405 -5.951 1.00 0.61 N ATOM 1126 CA THR A 86 6.537 4.259 -6.649 1.00 0.83 C ATOM 1127 C THR A 86 5.170 4.296 -5.929 1.00 0.83 C ATOM 1128 O THR A 86 4.434 3.291 -5.894 1.00 0.91 O ATOM 1129 CB THR A 86 6.359 3.787 -8.124 1.00 1.18 C ATOM 1130 OG1 THR A 86 7.655 3.728 -8.777 1.00 1.88 O ATOM 1131 CG2 THR A 86 5.463 4.753 -8.894 1.00 1.64 C ATOM 0 H THR A 86 7.110 2.490 -5.687 1.00 0.61 H new ATOM 0 HA THR A 86 6.945 5.270 -6.651 1.00 0.83 H new ATOM 0 HB THR A 86 5.897 2.800 -8.115 1.00 1.18 H new ATOM 0 HG1 THR A 86 7.988 2.806 -8.761 1.00 1.88 H new ATOM 0 HG21 THR A 86 5.351 4.406 -9.921 1.00 1.64 H new ATOM 0 HG22 THR A 86 4.483 4.799 -8.418 1.00 1.64 H new ATOM 0 HG23 THR A 86 5.913 5.746 -8.894 1.00 1.64 H new ATOM 1139 N VAL A 87 4.856 5.452 -5.343 1.00 1.10 N ATOM 1140 CA VAL A 87 3.604 5.674 -4.620 1.00 1.29 C ATOM 1141 C VAL A 87 2.476 5.982 -5.610 1.00 1.44 C ATOM 1142 O VAL A 87 2.669 6.751 -6.569 1.00 1.74 O ATOM 1143 CB VAL A 87 3.751 6.845 -3.568 1.00 1.88 C ATOM 1144 CG1 VAL A 87 4.155 8.159 -4.230 1.00 2.70 C ATOM 1145 CG2 VAL A 87 2.480 7.026 -2.738 1.00 2.21 C ATOM 0 H VAL A 87 5.469 6.267 -5.357 1.00 1.10 H new ATOM 0 HA VAL A 87 3.359 4.764 -4.073 1.00 1.29 H new ATOM 0 HB VAL A 87 4.554 6.554 -2.891 1.00 1.88 H new ATOM 0 HG11 VAL A 87 4.245 8.936 -3.471 1.00 2.70 H new ATOM 0 HG12 VAL A 87 5.113 8.033 -4.735 1.00 2.70 H new ATOM 0 HG13 VAL A 87 3.397 8.448 -4.958 1.00 2.70 H new ATOM 0 HG21 VAL A 87 2.622 7.840 -2.027 1.00 2.21 H new ATOM 0 HG22 VAL A 87 1.645 7.262 -3.398 1.00 2.21 H new ATOM 0 HG23 VAL A 87 2.265 6.105 -2.196 1.00 2.21 H new ATOM 1155 N CYS A 88 1.324 5.384 -5.380 1.00 1.53 N ATOM 1156 CA CYS A 88 0.168 5.539 -6.239 1.00 1.91 C ATOM 1157 C CYS A 88 -1.000 4.760 -5.677 1.00 1.83 C ATOM 1158 O CYS A 88 -0.916 3.535 -5.508 1.00 2.53 O ATOM 1159 CB CYS A 88 0.479 5.027 -7.672 1.00 2.71 C ATOM 1160 SG CYS A 88 -0.863 5.250 -8.869 1.00 3.39 S ATOM 0 H CYS A 88 1.163 4.770 -4.582 1.00 1.53 H new ATOM 0 HA CYS A 88 -0.084 6.599 -6.286 1.00 1.91 H new ATOM 0 HB2 CYS A 88 1.366 5.542 -8.042 1.00 2.71 H new ATOM 0 HB3 CYS A 88 0.726 3.967 -7.618 1.00 2.71 H new ATOM 0 HG CYS A 88 -2.004 5.028 -8.288 1.00 3.39 H new ATOM 1166 N GLU A 89 -2.069 5.452 -5.358 1.00 1.89 N ATOM 1167 CA GLU A 89 -3.279 4.804 -4.936 1.00 2.59 C ATOM 1168 C GLU A 89 -3.922 4.093 -6.146 1.00 3.36 C ATOM 1169 O GLU A 89 -3.930 4.648 -7.260 1.00 3.69 O ATOM 1170 CB GLU A 89 -4.277 5.821 -4.323 1.00 3.16 C ATOM 1171 CG GLU A 89 -3.933 6.369 -2.928 1.00 3.65 C ATOM 1172 CD GLU A 89 -2.570 7.023 -2.801 1.00 4.56 C ATOM 1173 OE1 GLU A 89 -2.239 7.896 -3.626 1.00 5.07 O ATOM 1174 OE2 GLU A 89 -1.849 6.706 -1.825 1.00 5.04 O ATOM 0 H GLU A 89 -2.120 6.470 -5.385 1.00 1.89 H new ATOM 0 HA GLU A 89 -3.033 4.074 -4.165 1.00 2.59 H new ATOM 0 HB2 GLU A 89 -4.367 6.664 -5.007 1.00 3.16 H new ATOM 0 HB3 GLU A 89 -5.257 5.347 -4.270 1.00 3.16 H new ATOM 0 HG2 GLU A 89 -4.694 7.097 -2.645 1.00 3.65 H new ATOM 0 HG3 GLU A 89 -3.992 5.551 -2.211 1.00 3.65 H new ATOM 1181 N PRO A 90 -4.429 2.844 -5.953 1.00 4.20 N ATOM 1182 CA PRO A 90 -5.081 2.057 -7.014 1.00 5.33 C ATOM 1183 C PRO A 90 -6.141 2.818 -7.896 1.00 5.94 C ATOM 1184 O PRO A 90 -6.127 2.653 -9.124 1.00 6.31 O ATOM 1185 CB PRO A 90 -5.719 0.864 -6.285 1.00 6.12 C ATOM 1186 CG PRO A 90 -5.475 1.086 -4.820 1.00 5.67 C ATOM 1187 CD PRO A 90 -4.357 2.088 -4.699 1.00 4.55 C ATOM 0 HA PRO A 90 -4.330 1.776 -7.752 1.00 5.33 H new ATOM 0 HB2 PRO A 90 -6.787 0.805 -6.497 1.00 6.12 H new ATOM 0 HB3 PRO A 90 -5.276 -0.076 -6.615 1.00 6.12 H new ATOM 0 HG2 PRO A 90 -6.377 1.456 -4.332 1.00 5.67 H new ATOM 0 HG3 PRO A 90 -5.207 0.150 -4.329 1.00 5.67 H new ATOM 0 HD2 PRO A 90 -4.492 2.736 -3.833 1.00 4.55 H new ATOM 0 HD3 PRO A 90 -3.391 1.597 -4.582 1.00 4.55 H new ATOM 1195 N PRO A 91 -7.088 3.647 -7.315 1.00 6.36 N ATOM 1196 CA PRO A 91 -8.044 4.344 -8.122 1.00 7.26 C ATOM 1197 C PRO A 91 -7.448 5.582 -8.773 1.00 8.19 C ATOM 1198 O PRO A 91 -7.393 6.667 -8.182 1.00 8.59 O ATOM 1199 CB PRO A 91 -9.188 4.716 -7.181 1.00 7.68 C ATOM 1200 CG PRO A 91 -8.656 4.547 -5.786 1.00 7.18 C ATOM 1201 CD PRO A 91 -7.260 3.962 -5.892 1.00 6.33 C ATOM 0 HA PRO A 91 -8.385 3.717 -8.946 1.00 7.26 H new ATOM 0 HB2 PRO A 91 -9.514 5.742 -7.351 1.00 7.68 H new ATOM 0 HB3 PRO A 91 -10.053 4.075 -7.348 1.00 7.68 H new ATOM 0 HG2 PRO A 91 -8.631 5.506 -5.268 1.00 7.18 H new ATOM 0 HG3 PRO A 91 -9.304 3.889 -5.207 1.00 7.18 H new ATOM 0 HD2 PRO A 91 -6.507 4.673 -5.551 1.00 6.33 H new ATOM 0 HD3 PRO A 91 -7.158 3.069 -5.275 1.00 6.33 H new ATOM 1209 N LYS A 92 -6.968 5.400 -9.963 1.00 8.73 N ATOM 1210 CA LYS A 92 -6.373 6.464 -10.721 1.00 9.77 C ATOM 1211 C LYS A 92 -7.056 6.478 -12.095 1.00 10.34 C ATOM 1212 O LYS A 92 -6.619 5.811 -13.017 1.00 10.73 O ATOM 1213 CB LYS A 92 -4.849 6.199 -10.853 1.00 10.41 C ATOM 1214 CG LYS A 92 -3.977 7.334 -11.407 1.00 10.86 C ATOM 1215 CD LYS A 92 -3.976 8.558 -10.496 1.00 11.51 C ATOM 1216 CE LYS A 92 -2.823 9.517 -10.834 1.00 12.15 C ATOM 1217 NZ LYS A 92 -2.839 10.009 -12.235 1.00 12.69 N ATOM 0 H LYS A 92 -6.977 4.500 -10.444 1.00 8.73 H new ATOM 0 HA LYS A 92 -6.504 7.431 -10.236 1.00 9.77 H new ATOM 0 HB2 LYS A 92 -4.468 5.932 -9.867 1.00 10.41 H new ATOM 0 HB3 LYS A 92 -4.714 5.328 -11.494 1.00 10.41 H new ATOM 0 HG2 LYS A 92 -2.955 6.976 -11.533 1.00 10.86 H new ATOM 0 HG3 LYS A 92 -4.339 7.619 -12.395 1.00 10.86 H new ATOM 0 HD2 LYS A 92 -4.926 9.083 -10.591 1.00 11.51 H new ATOM 0 HD3 LYS A 92 -3.891 8.239 -9.457 1.00 11.51 H new ATOM 0 HE2 LYS A 92 -2.865 10.372 -10.159 1.00 12.15 H new ATOM 0 HE3 LYS A 92 -1.876 9.010 -10.648 1.00 12.15 H new ATOM 0 HZ1 LYS A 92 -2.107 10.738 -12.355 1.00 12.69 H new ATOM 0 HZ2 LYS A 92 -2.650 9.218 -12.883 1.00 12.69 H new ATOM 0 HZ3 LYS A 92 -3.772 10.416 -12.449 1.00 12.69 H new ATOM 1231 N PRO A 93 -8.201 7.179 -12.219 1.00 10.61 N ATOM 1232 CA PRO A 93 -9.000 7.186 -13.463 1.00 11.40 C ATOM 1233 C PRO A 93 -8.313 7.945 -14.596 1.00 12.54 C ATOM 1234 O PRO A 93 -8.520 7.651 -15.786 1.00 13.22 O ATOM 1235 CB PRO A 93 -10.318 7.874 -13.052 1.00 11.51 C ATOM 1236 CG PRO A 93 -10.284 7.928 -11.551 1.00 10.88 C ATOM 1237 CD PRO A 93 -8.830 7.995 -11.172 1.00 10.42 C ATOM 0 HA PRO A 93 -9.146 6.180 -13.855 1.00 11.40 H new ATOM 0 HB2 PRO A 93 -10.390 8.874 -13.480 1.00 11.51 H new ATOM 0 HB3 PRO A 93 -11.182 7.312 -13.406 1.00 11.51 H new ATOM 0 HG2 PRO A 93 -10.825 8.798 -11.179 1.00 10.88 H new ATOM 0 HG3 PRO A 93 -10.760 7.048 -11.118 1.00 10.88 H new ATOM 0 HD2 PRO A 93 -8.455 9.019 -11.173 1.00 10.42 H new ATOM 0 HD3 PRO A 93 -8.649 7.590 -10.176 1.00 10.42 H new ATOM 1245 N ILE A 94 -7.487 8.902 -14.222 1.00 12.89 N ATOM 1246 CA ILE A 94 -6.729 9.691 -15.189 1.00 14.03 C ATOM 1247 C ILE A 94 -5.528 8.849 -15.667 1.00 14.23 C ATOM 1248 O ILE A 94 -4.985 9.068 -16.742 1.00 14.51 O ATOM 1249 CB ILE A 94 -6.206 11.007 -14.523 1.00 14.82 C ATOM 1250 CG1 ILE A 94 -7.366 11.799 -13.891 1.00 14.80 C ATOM 1251 CG2 ILE A 94 -5.464 11.882 -15.537 1.00 15.27 C ATOM 1252 CD1 ILE A 94 -6.931 13.056 -13.148 1.00 15.38 C ATOM 0 H ILE A 94 -7.319 9.158 -13.249 1.00 12.89 H new ATOM 0 HA ILE A 94 -7.370 9.956 -16.030 1.00 14.03 H new ATOM 0 HB ILE A 94 -5.507 10.723 -13.737 1.00 14.82 H new ATOM 0 HG12 ILE A 94 -8.070 12.079 -14.675 1.00 14.80 H new ATOM 0 HG13 ILE A 94 -7.901 11.148 -13.199 1.00 14.80 H new ATOM 0 HG21 ILE A 94 -5.112 12.789 -15.046 1.00 15.27 H new ATOM 0 HG22 ILE A 94 -4.612 11.332 -15.937 1.00 15.27 H new ATOM 0 HG23 ILE A 94 -6.139 12.148 -16.351 1.00 15.27 H new ATOM 0 HD11 ILE A 94 -7.807 13.555 -12.733 1.00 15.38 H new ATOM 0 HD12 ILE A 94 -6.252 12.784 -12.340 1.00 15.38 H new ATOM 0 HD13 ILE A 94 -6.423 13.729 -13.838 1.00 15.38 H new ATOM 1264 N MET A 95 -5.195 7.856 -14.852 1.00 14.23 N ATOM 1265 CA MET A 95 -4.045 6.973 -15.038 1.00 14.59 C ATOM 1266 C MET A 95 -2.760 7.747 -15.189 1.00 14.93 C ATOM 1267 O MET A 95 -2.313 8.315 -14.175 1.00 15.26 O ATOM 1268 CB MET A 95 -4.236 5.963 -16.189 1.00 14.98 C ATOM 1269 CG MET A 95 -5.368 4.982 -15.971 1.00 15.22 C ATOM 1270 SD MET A 95 -5.475 3.759 -17.282 1.00 15.95 S ATOM 1271 CE MET A 95 -6.830 2.768 -16.692 1.00 16.63 C ATOM 1272 OXT MET A 95 -2.180 7.756 -16.280 1.00 15.00 O ATOM 0 H MET A 95 -5.734 7.634 -14.015 1.00 14.23 H new ATOM 0 HA MET A 95 -3.971 6.384 -14.124 1.00 14.59 H new ATOM 0 HB2 MET A 95 -4.419 6.512 -17.113 1.00 14.98 H new ATOM 0 HB3 MET A 95 -3.309 5.406 -16.327 1.00 14.98 H new ATOM 0 HG2 MET A 95 -5.228 4.476 -15.016 1.00 15.22 H new ATOM 0 HG3 MET A 95 -6.310 5.527 -15.908 1.00 15.22 H new ATOM 0 HE1 MET A 95 -7.024 1.960 -17.397 1.00 16.63 H new ATOM 0 HE2 MET A 95 -6.576 2.347 -15.719 1.00 16.63 H new ATOM 0 HE3 MET A 95 -7.721 3.389 -16.598 1.00 16.63 H new TER 1282 MET A 95