USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 721 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -131:sc= 0.751 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 0.0843 (180deg=-0.0361) USER MOD Single : A 40 LYS NZ :NH3+ -179:sc= 2.27 (180deg=2.27) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 53 SER OG : rot 180:sc= -1.23 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 159:sc= -0.0159 (180deg=-0.339) USER MOD Single : A 66 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.1!) USER MOD Single : A 70 SER OG : rot -164:sc= 1.19 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.0656 K(o=-0.066,f=-1.1) USER MOD Single : A 105 THR OG1 : rot -38:sc= 0.675 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.016 -16.645 10.824 1.00 52.12 N ATOM 2 CA GLY A 1 -8.012 -16.215 11.820 1.00 52.12 C ATOM 3 C GLY A 1 -9.128 -15.448 11.141 1.00 63.24 C ATOM 4 O GLY A 1 -10.209 -15.989 10.912 1.00 51.21 O ATOM 0 H1 GLY A 1 -6.254 -17.170 11.299 1.00 52.12 H new ATOM 0 H2 GLY A 1 -7.472 -17.259 10.119 1.00 52.12 H new ATOM 0 H3 GLY A 1 -6.617 -15.810 10.349 1.00 52.12 H new ATOM 0 HA2 GLY A 1 -8.419 -17.084 12.337 1.00 52.12 H new ATOM 0 HA3 GLY A 1 -7.536 -15.589 12.575 1.00 52.12 H new ATOM 8 N MET A 2 -8.863 -14.193 10.776 1.00 54.23 N ATOM 9 CA MET A 2 -9.700 -13.443 9.847 1.00 73.34 C ATOM 10 C MET A 2 -9.809 -14.173 8.505 1.00 13.43 C ATOM 11 O MET A 2 -8.915 -14.943 8.146 1.00 43.24 O ATOM 12 CB MET A 2 -9.183 -12.004 9.664 1.00 72.40 C ATOM 13 CG MET A 2 -7.676 -11.838 9.425 1.00 23.54 C ATOM 14 SD MET A 2 -6.629 -12.061 10.893 1.00 34.14 S ATOM 15 CE MET A 2 -5.124 -11.263 10.297 1.00 1.01 C ATOM 0 H MET A 2 -8.058 -13.669 11.119 1.00 54.23 H new ATOM 0 HA MET A 2 -10.701 -13.376 10.274 1.00 73.34 H new ATOM 0 HB2 MET A 2 -9.712 -11.557 8.823 1.00 72.40 H new ATOM 0 HB3 MET A 2 -9.452 -11.430 10.551 1.00 72.40 H new ATOM 0 HG2 MET A 2 -7.364 -12.554 8.664 1.00 23.54 H new ATOM 0 HG3 MET A 2 -7.497 -10.843 9.019 1.00 23.54 H new ATOM 0 HE1 MET A 2 -4.359 -11.303 11.073 1.00 1.01 H new ATOM 0 HE2 MET A 2 -4.766 -11.780 9.407 1.00 1.01 H new ATOM 0 HE3 MET A 2 -5.337 -10.223 10.051 1.00 1.01 H new ATOM 23 N LEU A 3 -10.882 -13.906 7.753 1.00 10.22 N ATOM 24 CA LEU A 3 -11.213 -14.591 6.498 1.00 71.43 C ATOM 25 C LEU A 3 -11.621 -13.568 5.427 1.00 63.21 C ATOM 26 O LEU A 3 -12.667 -13.674 4.788 1.00 2.35 O ATOM 27 CB LEU A 3 -12.287 -15.671 6.776 1.00 43.44 C ATOM 28 CG LEU A 3 -12.150 -16.960 5.944 1.00 12.32 C ATOM 29 CD1 LEU A 3 -12.162 -16.746 4.430 1.00 43.24 C ATOM 30 CD2 LEU A 3 -10.886 -17.726 6.344 1.00 10.43 C ATOM 0 H LEU A 3 -11.562 -13.189 8.006 1.00 10.22 H new ATOM 0 HA LEU A 3 -10.341 -15.108 6.097 1.00 71.43 H new ATOM 0 HB2 LEU A 3 -12.250 -15.934 7.833 1.00 43.44 H new ATOM 0 HB3 LEU A 3 -13.270 -15.240 6.589 1.00 43.44 H new ATOM 0 HG LEU A 3 -13.042 -17.543 6.175 1.00 12.32 H new ATOM 0 HD11 LEU A 3 -12.061 -17.707 3.926 1.00 43.24 H new ATOM 0 HD12 LEU A 3 -13.102 -16.279 4.136 1.00 43.24 H new ATOM 0 HD13 LEU A 3 -11.332 -16.099 4.147 1.00 43.24 H new ATOM 0 HD21 LEU A 3 -10.806 -18.634 5.746 1.00 10.43 H new ATOM 0 HD22 LEU A 3 -10.011 -17.099 6.172 1.00 10.43 H new ATOM 0 HD23 LEU A 3 -10.940 -17.991 7.400 1.00 10.43 H new ATOM 41 N LEU A 4 -10.827 -12.509 5.304 1.00 73.21 N ATOM 42 CA LEU A 4 -11.028 -11.375 4.394 1.00 53.23 C ATOM 43 C LEU A 4 -10.585 -11.717 2.956 1.00 73.32 C ATOM 44 O LEU A 4 -10.012 -12.782 2.731 1.00 74.03 O ATOM 45 CB LEU A 4 -10.231 -10.187 4.969 1.00 31.45 C ATOM 46 CG LEU A 4 -10.953 -9.332 6.035 1.00 34.11 C ATOM 47 CD1 LEU A 4 -11.816 -8.286 5.344 1.00 63.41 C ATOM 48 CD2 LEU A 4 -11.826 -10.101 7.033 1.00 73.23 C ATOM 0 H LEU A 4 -9.980 -12.409 5.864 1.00 73.21 H new ATOM 0 HA LEU A 4 -12.086 -11.123 4.325 1.00 53.23 H new ATOM 0 HB2 LEU A 4 -9.309 -10.572 5.406 1.00 31.45 H new ATOM 0 HB3 LEU A 4 -9.945 -9.535 4.144 1.00 31.45 H new ATOM 0 HG LEU A 4 -10.150 -8.891 6.626 1.00 34.11 H new ATOM 0 HD11 LEU A 4 -12.326 -7.682 6.094 1.00 63.41 H new ATOM 0 HD12 LEU A 4 -11.186 -7.644 4.728 1.00 63.41 H new ATOM 0 HD13 LEU A 4 -12.554 -8.782 4.714 1.00 63.41 H new ATOM 0 HD21 LEU A 4 -12.282 -9.401 7.732 1.00 73.23 H new ATOM 0 HD22 LEU A 4 -12.608 -10.637 6.495 1.00 73.23 H new ATOM 0 HD23 LEU A 4 -11.210 -10.813 7.582 1.00 73.23 H new ATOM 59 N SER A 5 -10.794 -10.812 1.984 1.00 5.31 N ATOM 60 CA SER A 5 -10.154 -10.900 0.659 1.00 41.34 C ATOM 61 C SER A 5 -9.323 -9.644 0.374 1.00 3.23 C ATOM 62 O SER A 5 -9.550 -8.617 1.016 1.00 30.25 O ATOM 63 CB SER A 5 -11.193 -11.066 -0.462 1.00 62.43 C ATOM 64 OG SER A 5 -12.420 -11.640 -0.037 1.00 73.43 O ATOM 0 H SER A 5 -11.407 -10.004 2.093 1.00 5.31 H new ATOM 0 HA SER A 5 -9.508 -11.778 0.677 1.00 41.34 H new ATOM 0 HB2 SER A 5 -11.395 -10.090 -0.903 1.00 62.43 H new ATOM 0 HB3 SER A 5 -10.766 -11.689 -1.248 1.00 62.43 H new ATOM 0 HG SER A 5 -13.029 -11.712 -0.801 1.00 73.43 H new ATOM 69 N THR A 6 -8.469 -9.687 -0.652 1.00 33.04 N ATOM 70 CA THR A 6 -7.687 -8.548 -1.119 1.00 22.11 C ATOM 71 C THR A 6 -8.571 -7.325 -1.385 1.00 23.12 C ATOM 72 O THR A 6 -8.365 -6.276 -0.771 1.00 2.32 O ATOM 73 CB THR A 6 -6.866 -8.951 -2.356 1.00 4.55 C ATOM 74 OG1 THR A 6 -6.146 -10.145 -2.111 1.00 51.11 O ATOM 75 CG2 THR A 6 -5.885 -7.842 -2.709 1.00 74.23 C ATOM 0 H THR A 6 -8.301 -10.536 -1.191 1.00 33.04 H new ATOM 0 HA THR A 6 -6.993 -8.255 -0.331 1.00 22.11 H new ATOM 0 HB THR A 6 -7.555 -9.115 -3.185 1.00 4.55 H new ATOM 0 HG1 THR A 6 -5.213 -10.027 -2.387 1.00 51.11 H new ATOM 0 HG21 THR A 6 -5.307 -8.133 -3.586 1.00 74.23 H new ATOM 0 HG22 THR A 6 -6.434 -6.926 -2.925 1.00 74.23 H new ATOM 0 HG23 THR A 6 -5.211 -7.672 -1.870 1.00 74.23 H new ATOM 83 N ASP A 7 -9.562 -7.464 -2.275 1.00 13.32 N ATOM 84 CA ASP A 7 -10.432 -6.351 -2.678 1.00 43.51 C ATOM 85 C ASP A 7 -11.166 -5.776 -1.465 1.00 35.00 C ATOM 86 O ASP A 7 -11.385 -4.575 -1.393 1.00 2.53 O ATOM 87 CB ASP A 7 -11.435 -6.808 -3.746 1.00 21.33 C ATOM 88 CG ASP A 7 -12.450 -5.741 -4.195 1.00 64.42 C ATOM 89 OD1 ASP A 7 -12.116 -4.556 -4.434 1.00 53.35 O ATOM 90 OD2 ASP A 7 -13.606 -6.148 -4.449 1.00 12.50 O ATOM 0 H ASP A 7 -9.783 -8.347 -2.735 1.00 13.32 H new ATOM 0 HA ASP A 7 -9.808 -5.567 -3.106 1.00 43.51 H new ATOM 0 HB2 ASP A 7 -10.880 -7.148 -4.620 1.00 21.33 H new ATOM 0 HB3 ASP A 7 -11.983 -7.668 -3.362 1.00 21.33 H new ATOM 94 N ILE A 8 -11.474 -6.605 -0.462 1.00 11.31 N ATOM 95 CA ILE A 8 -12.207 -6.197 0.732 1.00 54.22 C ATOM 96 C ILE A 8 -11.397 -5.176 1.539 1.00 44.53 C ATOM 97 O ILE A 8 -11.959 -4.201 2.048 1.00 4.52 O ATOM 98 CB ILE A 8 -12.576 -7.396 1.612 1.00 23.21 C ATOM 99 CG1 ILE A 8 -13.293 -8.504 0.828 1.00 75.11 C ATOM 100 CG2 ILE A 8 -13.440 -6.931 2.790 1.00 20.30 C ATOM 101 CD1 ILE A 8 -14.728 -8.213 0.412 1.00 52.23 C ATOM 0 H ILE A 8 -11.215 -7.592 -0.461 1.00 11.31 H new ATOM 0 HA ILE A 8 -13.135 -5.732 0.400 1.00 54.22 H new ATOM 0 HB ILE A 8 -11.646 -7.825 1.985 1.00 23.21 H new ATOM 0 HG12 ILE A 8 -12.713 -8.719 -0.070 1.00 75.11 H new ATOM 0 HG13 ILE A 8 -13.289 -9.410 1.434 1.00 75.11 H new ATOM 0 HG21 ILE A 8 -13.699 -7.788 3.412 1.00 20.30 H new ATOM 0 HG22 ILE A 8 -12.885 -6.206 3.385 1.00 20.30 H new ATOM 0 HG23 ILE A 8 -14.352 -6.468 2.412 1.00 20.30 H new ATOM 0 HD11 ILE A 8 -15.129 -9.067 -0.134 1.00 52.23 H new ATOM 0 HD12 ILE A 8 -15.335 -8.033 1.299 1.00 52.23 H new ATOM 0 HD13 ILE A 8 -14.750 -7.331 -0.228 1.00 52.23 H new ATOM 112 N TRP A 9 -10.090 -5.411 1.704 1.00 62.34 N ATOM 113 CA TRP A 9 -9.254 -4.478 2.443 1.00 23.33 C ATOM 114 C TRP A 9 -9.092 -3.198 1.649 1.00 24.11 C ATOM 115 O TRP A 9 -9.251 -2.130 2.227 1.00 70.32 O ATOM 116 CB TRP A 9 -7.872 -5.042 2.739 1.00 65.42 C ATOM 117 CG TRP A 9 -7.824 -6.294 3.550 1.00 3.44 C ATOM 118 CD1 TRP A 9 -8.468 -6.520 4.714 1.00 54.51 C ATOM 119 CD2 TRP A 9 -7.114 -7.521 3.235 1.00 73.34 C ATOM 120 NE1 TRP A 9 -8.118 -7.767 5.190 1.00 64.04 N ATOM 121 CE2 TRP A 9 -7.330 -8.453 4.287 1.00 42.50 C ATOM 122 CE3 TRP A 9 -6.338 -7.939 2.140 1.00 62.10 C ATOM 123 CZ2 TRP A 9 -6.817 -9.758 4.239 1.00 34.01 C ATOM 124 CZ3 TRP A 9 -5.841 -9.255 2.063 1.00 43.21 C ATOM 125 CH2 TRP A 9 -6.099 -10.167 3.103 1.00 72.40 C ATOM 0 H TRP A 9 -9.601 -6.228 1.339 1.00 62.34 H new ATOM 0 HA TRP A 9 -9.753 -4.288 3.393 1.00 23.33 H new ATOM 0 HB2 TRP A 9 -7.370 -5.231 1.790 1.00 65.42 H new ATOM 0 HB3 TRP A 9 -7.295 -4.277 3.258 1.00 65.42 H new ATOM 0 HD1 TRP A 9 -9.149 -5.834 5.196 1.00 54.51 H new ATOM 0 HE1 TRP A 9 -8.406 -8.136 6.096 1.00 64.04 H new ATOM 0 HE3 TRP A 9 -6.119 -7.241 1.346 1.00 62.10 H new ATOM 0 HZ2 TRP A 9 -6.972 -10.438 5.063 1.00 34.01 H new ATOM 0 HZ3 TRP A 9 -5.262 -9.564 1.205 1.00 43.21 H new ATOM 0 HH2 TRP A 9 -5.744 -11.184 3.028 1.00 72.40 H new ATOM 135 N VAL A 10 -8.811 -3.288 0.345 1.00 1.53 N ATOM 136 CA VAL A 10 -8.701 -2.109 -0.509 1.00 73.42 C ATOM 137 C VAL A 10 -10.007 -1.309 -0.404 1.00 13.10 C ATOM 138 O VAL A 10 -9.975 -0.099 -0.178 1.00 55.52 O ATOM 139 CB VAL A 10 -8.335 -2.526 -1.952 1.00 60.31 C ATOM 140 CG1 VAL A 10 -8.217 -1.307 -2.882 1.00 61.24 C ATOM 141 CG2 VAL A 10 -6.983 -3.268 -1.978 1.00 5.41 C ATOM 0 H VAL A 10 -8.656 -4.171 -0.141 1.00 1.53 H new ATOM 0 HA VAL A 10 -7.892 -1.456 -0.180 1.00 73.42 H new ATOM 0 HB VAL A 10 -9.137 -3.177 -2.301 1.00 60.31 H new ATOM 0 HG11 VAL A 10 -7.959 -1.640 -3.887 1.00 61.24 H new ATOM 0 HG12 VAL A 10 -9.169 -0.776 -2.909 1.00 61.24 H new ATOM 0 HG13 VAL A 10 -7.440 -0.639 -2.510 1.00 61.24 H new ATOM 0 HG21 VAL A 10 -6.744 -3.553 -3.003 1.00 5.41 H new ATOM 0 HG22 VAL A 10 -6.201 -2.614 -1.591 1.00 5.41 H new ATOM 0 HG23 VAL A 10 -7.047 -4.162 -1.358 1.00 5.41 H new ATOM 151 N ALA A 11 -11.159 -1.979 -0.469 1.00 13.52 N ATOM 152 CA ALA A 11 -12.471 -1.362 -0.395 1.00 13.21 C ATOM 153 C ALA A 11 -12.750 -0.695 0.949 1.00 52.43 C ATOM 154 O ALA A 11 -13.578 0.216 1.024 1.00 23.22 O ATOM 155 CB ALA A 11 -13.541 -2.430 -0.623 1.00 2.43 C ATOM 0 H ALA A 11 -11.199 -2.992 -0.577 1.00 13.52 H new ATOM 0 HA ALA A 11 -12.495 -0.588 -1.162 1.00 13.21 H new ATOM 0 HB1 ALA A 11 -14.529 -1.973 -0.569 1.00 2.43 H new ATOM 0 HB2 ALA A 11 -13.403 -2.879 -1.606 1.00 2.43 H new ATOM 0 HB3 ALA A 11 -13.455 -3.200 0.143 1.00 2.43 H new ATOM 161 N ALA A 12 -12.120 -1.165 2.028 1.00 14.20 N ATOM 162 CA ALA A 12 -12.153 -0.507 3.322 1.00 61.25 C ATOM 163 C ALA A 12 -11.225 0.695 3.294 1.00 34.43 C ATOM 164 O ALA A 12 -11.697 1.812 3.491 1.00 24.30 O ATOM 165 CB ALA A 12 -11.757 -1.479 4.445 1.00 22.01 C ATOM 0 H ALA A 12 -11.568 -2.023 2.020 1.00 14.20 H new ATOM 0 HA ALA A 12 -13.170 -0.172 3.526 1.00 61.25 H new ATOM 0 HB1 ALA A 12 -11.790 -0.961 5.403 1.00 22.01 H new ATOM 0 HB2 ALA A 12 -12.453 -2.318 4.462 1.00 22.01 H new ATOM 0 HB3 ALA A 12 -10.747 -1.849 4.267 1.00 22.01 H new ATOM 171 N LEU A 13 -9.932 0.449 3.072 1.00 42.52 N ATOM 172 CA LEU A 13 -8.815 1.385 3.058 1.00 5.33 C ATOM 173 C LEU A 13 -9.169 2.633 2.268 1.00 71.23 C ATOM 174 O LEU A 13 -9.084 3.735 2.829 1.00 51.15 O ATOM 175 CB LEU A 13 -7.573 0.660 2.512 1.00 4.10 C ATOM 176 CG LEU A 13 -6.442 1.583 2.021 1.00 13.10 C ATOM 177 CD1 LEU A 13 -5.886 2.479 3.132 1.00 22.04 C ATOM 178 CD2 LEU A 13 -5.301 0.722 1.465 1.00 71.23 C ATOM 0 H LEU A 13 -9.615 -0.501 2.880 1.00 42.52 H new ATOM 0 HA LEU A 13 -8.591 1.726 4.069 1.00 5.33 H new ATOM 0 HB2 LEU A 13 -7.178 0.010 3.293 1.00 4.10 H new ATOM 0 HB3 LEU A 13 -7.880 0.017 1.687 1.00 4.10 H new ATOM 0 HG LEU A 13 -6.862 2.232 1.253 1.00 13.10 H new ATOM 0 HD11 LEU A 13 -5.092 3.108 2.729 1.00 22.04 H new ATOM 0 HD12 LEU A 13 -6.684 3.109 3.525 1.00 22.04 H new ATOM 0 HD13 LEU A 13 -5.486 1.858 3.934 1.00 22.04 H new ATOM 0 HD21 LEU A 13 -4.495 1.367 1.115 1.00 71.23 H new ATOM 0 HD22 LEU A 13 -4.925 0.066 2.250 1.00 71.23 H new ATOM 0 HD23 LEU A 13 -5.671 0.120 0.635 1.00 71.23 H new ATOM 189 N ILE A 14 -9.591 2.491 1.028 1.00 22.42 N ATOM 190 CA ILE A 14 -9.943 3.607 0.162 1.00 54.23 C ATOM 191 C ILE A 14 -11.002 4.471 0.832 1.00 42.11 C ATOM 192 O ILE A 14 -10.792 5.673 0.980 1.00 71.45 O ATOM 193 CB ILE A 14 -10.356 3.069 -1.222 1.00 35.32 C ATOM 194 CG1 ILE A 14 -9.132 2.510 -1.980 1.00 72.05 C ATOM 195 CG2 ILE A 14 -11.070 4.116 -2.093 1.00 72.42 C ATOM 196 CD1 ILE A 14 -7.991 3.517 -2.104 1.00 40.34 C ATOM 0 H ILE A 14 -9.702 1.581 0.582 1.00 22.42 H new ATOM 0 HA ILE A 14 -9.085 4.259 -0.001 1.00 54.23 H new ATOM 0 HB ILE A 14 -11.071 2.268 -1.031 1.00 35.32 H new ATOM 0 HG12 ILE A 14 -8.769 1.621 -1.465 1.00 72.05 H new ATOM 0 HG13 ILE A 14 -9.442 2.197 -2.977 1.00 72.05 H new ATOM 0 HG21 ILE A 14 -11.333 3.672 -3.053 1.00 72.42 H new ATOM 0 HG22 ILE A 14 -11.976 4.453 -1.588 1.00 72.42 H new ATOM 0 HG23 ILE A 14 -10.408 4.966 -2.256 1.00 72.42 H new ATOM 0 HD11 ILE A 14 -7.162 3.062 -2.646 1.00 40.34 H new ATOM 0 HD12 ILE A 14 -8.339 4.397 -2.645 1.00 40.34 H new ATOM 0 HD13 ILE A 14 -7.656 3.812 -1.109 1.00 40.34 H new ATOM 207 N ARG A 15 -12.092 3.859 1.301 1.00 52.32 N ATOM 208 CA ARG A 15 -13.160 4.606 1.956 1.00 75.14 C ATOM 209 C ARG A 15 -12.607 5.404 3.129 1.00 54.31 C ATOM 210 O ARG A 15 -12.799 6.614 3.211 1.00 2.43 O ATOM 211 CB ARG A 15 -14.311 3.706 2.446 1.00 33.22 C ATOM 212 CG ARG A 15 -15.406 3.465 1.398 1.00 60.24 C ATOM 213 CD ARG A 15 -16.796 3.294 2.041 1.00 74.43 C ATOM 214 NE ARG A 15 -17.237 4.534 2.709 1.00 63.45 N ATOM 215 CZ ARG A 15 -17.425 4.729 4.021 1.00 43.21 C ATOM 216 NH1 ARG A 15 -17.619 3.702 4.845 1.00 54.21 N ATOM 217 NH2 ARG A 15 -17.397 5.965 4.505 1.00 51.32 N ATOM 0 H ARG A 15 -12.255 2.854 1.238 1.00 52.32 H new ATOM 0 HA ARG A 15 -13.570 5.279 1.203 1.00 75.14 H new ATOM 0 HB2 ARG A 15 -13.900 2.745 2.755 1.00 33.22 H new ATOM 0 HB3 ARG A 15 -14.761 4.159 3.329 1.00 33.22 H new ATOM 0 HG2 ARG A 15 -15.430 4.302 0.700 1.00 60.24 H new ATOM 0 HG3 ARG A 15 -15.163 2.574 0.819 1.00 60.24 H new ATOM 0 HD2 ARG A 15 -17.520 3.014 1.276 1.00 74.43 H new ATOM 0 HD3 ARG A 15 -16.766 2.480 2.765 1.00 74.43 H new ATOM 0 HE ARG A 15 -17.419 5.334 2.103 1.00 63.45 H new ATOM 0 HH11 ARG A 15 -17.626 2.750 4.480 1.00 54.21 H new ATOM 0 HH12 ARG A 15 -17.761 3.867 5.841 1.00 54.21 H new ATOM 0 HH21 ARG A 15 -17.234 6.754 3.880 1.00 51.32 H new ATOM 0 HH22 ARG A 15 -17.539 6.126 5.502 1.00 51.32 H new ATOM 228 N ARG A 16 -11.941 4.728 4.064 1.00 60.05 N ATOM 229 CA ARG A 16 -11.521 5.329 5.327 1.00 53.25 C ATOM 230 C ARG A 16 -10.436 6.387 5.162 1.00 32.04 C ATOM 231 O ARG A 16 -10.354 7.305 5.984 1.00 63.53 O ATOM 232 CB ARG A 16 -11.113 4.237 6.316 1.00 12.12 C ATOM 233 CG ARG A 16 -10.021 3.251 5.897 1.00 71.34 C ATOM 234 CD ARG A 16 -10.059 1.948 6.718 1.00 31.31 C ATOM 235 NE ARG A 16 -8.813 1.721 7.457 1.00 51.05 N ATOM 236 CZ ARG A 16 -8.457 2.305 8.604 1.00 45.12 C ATOM 237 NH1 ARG A 16 -9.298 3.085 9.277 1.00 52.31 N ATOM 238 NH2 ARG A 16 -7.226 2.113 9.048 1.00 21.34 N ATOM 0 H ARG A 16 -11.678 3.747 3.966 1.00 60.05 H new ATOM 0 HA ARG A 16 -12.379 5.865 5.732 1.00 53.25 H new ATOM 0 HB2 ARG A 16 -10.786 4.725 7.234 1.00 12.12 H new ATOM 0 HB3 ARG A 16 -12.005 3.661 6.562 1.00 12.12 H new ATOM 0 HG2 ARG A 16 -10.136 3.014 4.839 1.00 71.34 H new ATOM 0 HG3 ARG A 16 -9.045 3.723 6.014 1.00 71.34 H new ATOM 0 HD2 ARG A 16 -10.893 1.987 7.419 1.00 31.31 H new ATOM 0 HD3 ARG A 16 -10.242 1.106 6.051 1.00 31.31 H new ATOM 0 HE ARG A 16 -8.155 1.053 7.056 1.00 51.05 H new ATOM 0 HH11 ARG A 16 -10.239 3.249 8.919 1.00 52.31 H new ATOM 0 HH12 ARG A 16 -9.002 3.520 10.151 1.00 52.31 H new ATOM 0 HH21 ARG A 16 -6.577 1.532 8.517 1.00 21.34 H new ATOM 0 HH22 ARG A 16 -6.925 2.546 9.921 1.00 21.34 H new ATOM 249 N ALA A 17 -9.620 6.245 4.126 1.00 43.21 N ATOM 250 CA ALA A 17 -8.629 7.218 3.700 1.00 42.21 C ATOM 251 C ALA A 17 -9.294 8.462 3.120 1.00 31.20 C ATOM 252 O ALA A 17 -9.043 9.568 3.595 1.00 3.32 O ATOM 253 CB ALA A 17 -7.707 6.578 2.664 1.00 34.24 C ATOM 0 H ALA A 17 -9.633 5.413 3.536 1.00 43.21 H new ATOM 0 HA ALA A 17 -8.046 7.528 4.567 1.00 42.21 H new ATOM 0 HB1 ALA A 17 -6.962 7.305 2.342 1.00 34.24 H new ATOM 0 HB2 ALA A 17 -7.206 5.716 3.106 1.00 34.24 H new ATOM 0 HB3 ALA A 17 -8.294 6.255 1.804 1.00 34.24 H new ATOM 259 N GLU A 18 -10.150 8.289 2.111 1.00 53.44 N ATOM 260 CA GLU A 18 -10.912 9.369 1.494 1.00 35.24 C ATOM 261 C GLU A 18 -11.673 10.160 2.563 1.00 52.45 C ATOM 262 O GLU A 18 -11.658 11.390 2.572 1.00 44.21 O ATOM 263 CB GLU A 18 -11.928 8.775 0.522 1.00 54.45 C ATOM 264 CG GLU A 18 -11.442 8.405 -0.882 1.00 3.23 C ATOM 265 CD GLU A 18 -12.621 7.890 -1.736 1.00 51.33 C ATOM 266 OE1 GLU A 18 -13.782 7.911 -1.240 1.00 73.13 O ATOM 267 OE2 GLU A 18 -12.370 7.460 -2.882 1.00 51.55 O ATOM 0 H GLU A 18 -10.334 7.376 1.694 1.00 53.44 H new ATOM 0 HA GLU A 18 -10.221 10.031 0.972 1.00 35.24 H new ATOM 0 HB2 GLU A 18 -12.344 7.877 0.980 1.00 54.45 H new ATOM 0 HB3 GLU A 18 -12.746 9.487 0.416 1.00 54.45 H new ATOM 0 HG2 GLU A 18 -10.990 9.275 -1.359 1.00 3.23 H new ATOM 0 HG3 GLU A 18 -10.669 7.639 -0.817 1.00 3.23 H new ATOM 272 N LEU A 19 -12.307 9.449 3.498 1.00 15.51 N ATOM 273 CA LEU A 19 -13.037 9.959 4.653 1.00 75.23 C ATOM 274 C LEU A 19 -12.150 10.774 5.592 1.00 0.03 C ATOM 275 O LEU A 19 -12.639 11.635 6.320 1.00 53.42 O ATOM 276 CB LEU A 19 -13.560 8.712 5.362 1.00 52.15 C ATOM 277 CG LEU A 19 -14.377 8.909 6.644 1.00 14.30 C ATOM 278 CD1 LEU A 19 -15.824 9.280 6.324 1.00 14.40 C ATOM 279 CD2 LEU A 19 -14.322 7.579 7.395 1.00 13.03 C ATOM 0 H LEU A 19 -12.323 8.430 3.462 1.00 15.51 H new ATOM 0 HA LEU A 19 -13.831 10.639 4.344 1.00 75.23 H new ATOM 0 HB2 LEU A 19 -14.176 8.158 4.654 1.00 52.15 H new ATOM 0 HB3 LEU A 19 -12.705 8.080 5.603 1.00 52.15 H new ATOM 0 HG LEU A 19 -13.969 9.724 7.242 1.00 14.30 H new ATOM 0 HD11 LEU A 19 -16.379 9.413 7.252 1.00 14.40 H new ATOM 0 HD12 LEU A 19 -15.844 10.208 5.753 1.00 14.40 H new ATOM 0 HD13 LEU A 19 -16.283 8.484 5.738 1.00 14.40 H new ATOM 0 HD21 LEU A 19 -14.890 7.661 8.322 1.00 13.03 H new ATOM 0 HD22 LEU A 19 -14.751 6.793 6.774 1.00 13.03 H new ATOM 0 HD23 LEU A 19 -13.285 7.334 7.625 1.00 13.03 H new ATOM 290 N GLY A 20 -10.846 10.516 5.599 1.00 62.12 N ATOM 291 CA GLY A 20 -9.878 11.308 6.345 1.00 43.22 C ATOM 292 C GLY A 20 -9.596 12.647 5.668 1.00 20.43 C ATOM 293 O GLY A 20 -9.132 13.582 6.318 1.00 4.02 O ATOM 0 H GLY A 20 -10.429 9.743 5.081 1.00 62.12 H new ATOM 0 HA2 GLY A 20 -10.252 11.483 7.354 1.00 43.22 H new ATOM 0 HA3 GLY A 20 -8.948 10.747 6.443 1.00 43.22 H new ATOM 297 N GLY A 21 -9.906 12.773 4.378 1.00 75.41 N ATOM 298 CA GLY A 21 -9.448 13.881 3.563 1.00 62.53 C ATOM 299 C GLY A 21 -8.088 13.580 2.942 1.00 14.10 C ATOM 300 O GLY A 21 -7.339 14.523 2.671 1.00 13.03 O ATOM 0 H GLY A 21 -10.485 12.102 3.873 1.00 75.41 H new ATOM 0 HA2 GLY A 21 -10.174 14.082 2.776 1.00 62.53 H new ATOM 0 HA3 GLY A 21 -9.381 14.782 4.173 1.00 62.53 H new ATOM 304 N ALA A 22 -7.736 12.302 2.752 1.00 21.21 N ATOM 305 CA ALA A 22 -6.762 11.920 1.741 1.00 31.21 C ATOM 306 C ALA A 22 -7.485 11.865 0.391 1.00 4.13 C ATOM 307 O ALA A 22 -8.720 11.824 0.333 1.00 60.35 O ATOM 308 CB ALA A 22 -6.166 10.546 2.075 1.00 73.31 C ATOM 0 H ALA A 22 -8.115 11.521 3.288 1.00 21.21 H new ATOM 0 HA ALA A 22 -5.947 12.644 1.707 1.00 31.21 H new ATOM 0 HB1 ALA A 22 -5.438 10.270 1.312 1.00 73.31 H new ATOM 0 HB2 ALA A 22 -5.674 10.589 3.047 1.00 73.31 H new ATOM 0 HB3 ALA A 22 -6.962 9.802 2.104 1.00 73.31 H new ATOM 314 N PHE A 23 -6.715 11.775 -0.690 1.00 22.00 N ATOM 315 CA PHE A 23 -7.182 11.425 -2.019 1.00 44.32 C ATOM 316 C PHE A 23 -6.652 10.019 -2.243 1.00 40.41 C ATOM 317 O PHE A 23 -5.482 9.842 -2.583 1.00 21.43 O ATOM 318 CB PHE A 23 -6.655 12.429 -3.053 1.00 43.14 C ATOM 319 CG PHE A 23 -7.255 12.304 -4.433 1.00 32.32 C ATOM 320 CD1 PHE A 23 -8.526 12.847 -4.690 1.00 23.21 C ATOM 321 CD2 PHE A 23 -6.519 11.722 -5.481 1.00 15.53 C ATOM 322 CE1 PHE A 23 -9.030 12.873 -5.999 1.00 13.51 C ATOM 323 CE2 PHE A 23 -7.030 11.745 -6.789 1.00 32.24 C ATOM 324 CZ PHE A 23 -8.265 12.356 -7.055 1.00 53.21 C ATOM 0 H PHE A 23 -5.711 11.952 -0.658 1.00 22.00 H new ATOM 0 HA PHE A 23 -8.267 11.457 -2.120 1.00 44.32 H new ATOM 0 HB2 PHE A 23 -6.840 13.438 -2.684 1.00 43.14 H new ATOM 0 HB3 PHE A 23 -5.574 12.312 -3.132 1.00 43.14 H new ATOM 0 HD1 PHE A 23 -9.116 13.245 -3.878 1.00 23.21 H new ATOM 0 HD2 PHE A 23 -5.564 11.259 -5.280 1.00 15.53 H new ATOM 0 HE1 PHE A 23 -10.007 13.291 -6.194 1.00 13.51 H new ATOM 0 HE2 PHE A 23 -6.470 11.291 -7.593 1.00 32.24 H new ATOM 0 HZ PHE A 23 -8.626 12.428 -8.070 1.00 53.21 H new ATOM 333 N ALA A 24 -7.456 9.004 -1.942 1.00 61.25 N ATOM 334 CA ALA A 24 -7.037 7.618 -2.067 1.00 3.41 C ATOM 335 C ALA A 24 -7.752 7.013 -3.262 1.00 75.13 C ATOM 336 O ALA A 24 -8.918 7.329 -3.496 1.00 35.34 O ATOM 337 CB ALA A 24 -7.363 6.880 -0.772 1.00 1.52 C ATOM 0 H ALA A 24 -8.412 9.121 -1.606 1.00 61.25 H new ATOM 0 HA ALA A 24 -5.962 7.539 -2.230 1.00 3.41 H new ATOM 0 HB1 ALA A 24 -7.051 5.839 -0.858 1.00 1.52 H new ATOM 0 HB2 ALA A 24 -6.834 7.350 0.057 1.00 1.52 H new ATOM 0 HB3 ALA A 24 -8.437 6.923 -0.589 1.00 1.52 H new ATOM 343 N THR A 25 -7.094 6.111 -3.985 1.00 1.23 N ATOM 344 CA THR A 25 -7.755 5.319 -5.005 1.00 24.11 C ATOM 345 C THR A 25 -6.941 4.064 -5.287 1.00 54.13 C ATOM 346 O THR A 25 -5.775 3.951 -4.900 1.00 71.05 O ATOM 347 CB THR A 25 -8.052 6.161 -6.252 1.00 13.31 C ATOM 348 OG1 THR A 25 -9.090 5.537 -6.983 1.00 41.22 O ATOM 349 CG2 THR A 25 -6.816 6.366 -7.122 1.00 55.53 C ATOM 0 H THR A 25 -6.099 5.914 -3.879 1.00 1.23 H new ATOM 0 HA THR A 25 -8.729 4.988 -4.644 1.00 24.11 H new ATOM 0 HB THR A 25 -8.366 7.155 -5.934 1.00 13.31 H new ATOM 0 HG1 THR A 25 -9.291 6.067 -7.783 1.00 41.22 H new ATOM 0 HG21 THR A 25 -7.079 6.968 -7.992 1.00 55.53 H new ATOM 0 HG22 THR A 25 -6.046 6.879 -6.545 1.00 55.53 H new ATOM 0 HG23 THR A 25 -6.438 5.398 -7.452 1.00 55.53 H new ATOM 357 N VAL A 26 -7.572 3.113 -5.957 1.00 3.10 N ATOM 358 CA VAL A 26 -6.946 1.955 -6.554 1.00 52.52 C ATOM 359 C VAL A 26 -6.714 2.299 -8.024 1.00 1.51 C ATOM 360 O VAL A 26 -7.612 2.839 -8.667 1.00 72.12 O ATOM 361 CB VAL A 26 -7.847 0.728 -6.312 1.00 15.30 C ATOM 362 CG1 VAL A 26 -9.325 0.899 -6.711 1.00 23.02 C ATOM 363 CG2 VAL A 26 -7.280 -0.520 -6.993 1.00 55.55 C ATOM 0 H VAL A 26 -8.581 3.133 -6.103 1.00 3.10 H new ATOM 0 HA VAL A 26 -5.981 1.698 -6.117 1.00 52.52 H new ATOM 0 HB VAL A 26 -7.841 0.613 -5.228 1.00 15.30 H new ATOM 0 HG11 VAL A 26 -9.868 -0.022 -6.499 1.00 23.02 H new ATOM 0 HG12 VAL A 26 -9.763 1.718 -6.141 1.00 23.02 H new ATOM 0 HG13 VAL A 26 -9.391 1.122 -7.776 1.00 23.02 H new ATOM 0 HG21 VAL A 26 -7.938 -1.368 -6.804 1.00 55.55 H new ATOM 0 HG22 VAL A 26 -7.209 -0.348 -8.067 1.00 55.55 H new ATOM 0 HG23 VAL A 26 -6.289 -0.734 -6.594 1.00 55.55 H new ATOM 373 N ALA A 27 -5.517 2.008 -8.536 1.00 2.13 N ATOM 374 CA ALA A 27 -5.146 2.228 -9.935 1.00 51.12 C ATOM 375 C ALA A 27 -4.817 0.913 -10.651 1.00 0.45 C ATOM 376 O ALA A 27 -4.661 0.890 -11.872 1.00 71.44 O ATOM 377 CB ALA A 27 -3.957 3.193 -9.998 1.00 51.43 C ATOM 0 H ALA A 27 -4.764 1.605 -7.979 1.00 2.13 H new ATOM 0 HA ALA A 27 -5.999 2.666 -10.453 1.00 51.12 H new ATOM 0 HB1 ALA A 27 -3.678 3.359 -11.039 1.00 51.43 H new ATOM 0 HB2 ALA A 27 -4.235 4.143 -9.541 1.00 51.43 H new ATOM 0 HB3 ALA A 27 -3.112 2.764 -9.460 1.00 51.43 H new ATOM 383 N ARG A 28 -4.700 -0.202 -9.922 1.00 42.21 N ATOM 384 CA ARG A 28 -4.368 -1.505 -10.493 1.00 33.21 C ATOM 385 C ARG A 28 -5.133 -2.582 -9.745 1.00 20.44 C ATOM 386 O ARG A 28 -5.162 -2.555 -8.513 1.00 41.54 O ATOM 387 CB ARG A 28 -2.860 -1.730 -10.428 1.00 20.41 C ATOM 388 CG ARG A 28 -2.351 -2.784 -11.408 1.00 34.14 C ATOM 389 CD ARG A 28 -0.833 -2.933 -11.226 1.00 30.33 C ATOM 390 NE ARG A 28 -0.218 -3.651 -12.346 1.00 72.14 N ATOM 391 CZ ARG A 28 -0.443 -4.910 -12.731 1.00 13.13 C ATOM 392 NH1 ARG A 28 -1.131 -5.751 -11.964 1.00 31.25 N ATOM 393 NH2 ARG A 28 0.022 -5.288 -13.913 1.00 70.02 N ATOM 0 H ARG A 28 -4.835 -0.222 -8.911 1.00 42.21 H new ATOM 0 HA ARG A 28 -4.659 -1.545 -11.543 1.00 33.21 H new ATOM 0 HB2 ARG A 28 -2.352 -0.786 -10.628 1.00 20.41 H new ATOM 0 HB3 ARG A 28 -2.590 -2.029 -9.415 1.00 20.41 H new ATOM 0 HG2 ARG A 28 -2.848 -3.737 -11.230 1.00 34.14 H new ATOM 0 HG3 ARG A 28 -2.582 -2.491 -12.432 1.00 34.14 H new ATOM 0 HD2 ARG A 28 -0.379 -1.946 -11.134 1.00 30.33 H new ATOM 0 HD3 ARG A 28 -0.629 -3.465 -10.297 1.00 30.33 H new ATOM 0 HE ARG A 28 0.462 -3.127 -12.897 1.00 72.14 H new ATOM 0 HH11 ARG A 28 -1.497 -5.438 -11.065 1.00 31.25 H new ATOM 0 HH12 ARG A 28 -1.293 -6.709 -12.275 1.00 31.25 H new ATOM 0 HH21 ARG A 28 0.533 -4.625 -14.496 1.00 70.02 H new ATOM 0 HH22 ARG A 28 -0.131 -6.242 -14.240 1.00 70.02 H new ATOM 404 N LYS A 29 -5.692 -3.539 -10.481 1.00 61.12 N ATOM 405 CA LYS A 29 -6.556 -4.594 -9.974 1.00 44.44 C ATOM 406 C LYS A 29 -5.836 -5.914 -10.136 1.00 60.41 C ATOM 407 O LYS A 29 -5.758 -6.425 -11.252 1.00 24.24 O ATOM 408 CB LYS A 29 -7.877 -4.549 -10.745 1.00 0.45 C ATOM 409 CG LYS A 29 -8.841 -5.714 -10.473 1.00 55.41 C ATOM 410 CD LYS A 29 -10.224 -5.393 -11.062 1.00 34.05 C ATOM 411 CE LYS A 29 -10.944 -4.274 -10.299 1.00 14.35 C ATOM 412 NZ LYS A 29 -11.342 -4.716 -8.953 1.00 2.12 N ATOM 0 H LYS A 29 -5.547 -3.600 -11.489 1.00 61.12 H new ATOM 0 HA LYS A 29 -6.784 -4.464 -8.916 1.00 44.44 H new ATOM 0 HB2 LYS A 29 -8.386 -3.615 -10.505 1.00 0.45 H new ATOM 0 HB3 LYS A 29 -7.654 -4.526 -11.812 1.00 0.45 H new ATOM 0 HG2 LYS A 29 -8.451 -6.631 -10.915 1.00 55.41 H new ATOM 0 HG3 LYS A 29 -8.924 -5.887 -9.400 1.00 55.41 H new ATOM 0 HD2 LYS A 29 -10.111 -5.102 -12.106 1.00 34.05 H new ATOM 0 HD3 LYS A 29 -10.839 -6.293 -11.047 1.00 34.05 H new ATOM 0 HE2 LYS A 29 -10.290 -3.405 -10.221 1.00 14.35 H new ATOM 0 HE3 LYS A 29 -11.826 -3.960 -10.857 1.00 14.35 H new ATOM 0 HZ1 LYS A 29 -12.023 -4.039 -8.553 1.00 2.12 H new ATOM 0 HZ2 LYS A 29 -11.782 -5.656 -9.012 1.00 2.12 H new ATOM 0 HZ3 LYS A 29 -10.502 -4.765 -8.341 1.00 2.12 H new ATOM 422 N GLY A 30 -5.289 -6.433 -9.046 1.00 4.41 N ATOM 423 CA GLY A 30 -4.874 -7.819 -8.981 1.00 13.22 C ATOM 424 C GLY A 30 -6.077 -8.700 -8.654 1.00 63.44 C ATOM 425 O GLY A 30 -7.234 -8.292 -8.773 1.00 74.00 O ATOM 0 H GLY A 30 -5.123 -5.906 -8.189 1.00 4.41 H new ATOM 0 HA2 GLY A 30 -4.436 -8.123 -9.932 1.00 13.22 H new ATOM 0 HA3 GLY A 30 -4.103 -7.943 -8.221 1.00 13.22 H new ATOM 429 N ASP A 31 -5.795 -9.917 -8.194 1.00 1.42 N ATOM 430 CA ASP A 31 -6.795 -10.907 -7.807 1.00 23.11 C ATOM 431 C ASP A 31 -7.593 -10.354 -6.631 1.00 30.23 C ATOM 432 O ASP A 31 -6.992 -9.982 -5.619 1.00 63.21 O ATOM 433 CB ASP A 31 -6.106 -12.216 -7.375 1.00 1.45 C ATOM 434 CG ASP A 31 -6.455 -13.379 -8.281 1.00 32.24 C ATOM 435 OD1 ASP A 31 -7.584 -13.894 -8.140 1.00 5.22 O ATOM 436 OD2 ASP A 31 -5.604 -13.793 -9.099 1.00 10.32 O ATOM 0 H ASP A 31 -4.838 -10.250 -8.077 1.00 1.42 H new ATOM 0 HA ASP A 31 -7.450 -11.113 -8.653 1.00 23.11 H new ATOM 0 HB2 ASP A 31 -5.026 -12.071 -7.374 1.00 1.45 H new ATOM 0 HB3 ASP A 31 -6.397 -12.456 -6.352 1.00 1.45 H new ATOM 440 N ALA A 32 -8.926 -10.314 -6.720 1.00 64.43 N ATOM 441 CA ALA A 32 -9.752 -9.866 -5.603 1.00 22.14 C ATOM 442 C ALA A 32 -9.685 -10.820 -4.408 1.00 33.05 C ATOM 443 O ALA A 32 -9.821 -10.370 -3.269 1.00 2.41 O ATOM 444 CB ALA A 32 -11.194 -9.653 -6.067 1.00 15.11 C ATOM 0 H ALA A 32 -9.451 -10.586 -7.551 1.00 64.43 H new ATOM 0 HA ALA A 32 -9.351 -8.914 -5.256 1.00 22.14 H new ATOM 0 HB1 ALA A 32 -11.801 -9.319 -5.226 1.00 15.11 H new ATOM 0 HB2 ALA A 32 -11.216 -8.898 -6.853 1.00 15.11 H new ATOM 0 HB3 ALA A 32 -11.594 -10.590 -6.454 1.00 15.11 H new ATOM 450 N ARG A 33 -9.464 -12.120 -4.635 1.00 41.22 N ATOM 451 CA ARG A 33 -9.285 -13.088 -3.561 1.00 31.03 C ATOM 452 C ARG A 33 -7.890 -13.023 -2.946 1.00 1.41 C ATOM 453 O ARG A 33 -7.810 -13.087 -1.719 1.00 61.20 O ATOM 454 CB ARG A 33 -9.587 -14.517 -4.054 1.00 53.11 C ATOM 455 CG ARG A 33 -10.975 -15.004 -3.622 1.00 41.11 C ATOM 456 CD ARG A 33 -11.065 -16.533 -3.531 1.00 5.51 C ATOM 457 NE ARG A 33 -12.465 -16.975 -3.458 1.00 61.01 N ATOM 458 CZ ARG A 33 -12.983 -17.975 -2.735 1.00 44.51 C ATOM 459 NH1 ARG A 33 -12.235 -18.713 -1.912 1.00 71.30 N ATOM 460 NH2 ARG A 33 -14.281 -18.221 -2.856 1.00 45.12 N ATOM 0 H ARG A 33 -9.405 -12.524 -5.570 1.00 41.22 H new ATOM 0 HA ARG A 33 -9.997 -12.825 -2.779 1.00 31.03 H new ATOM 0 HB2 ARG A 33 -9.517 -14.545 -5.141 1.00 53.11 H new ATOM 0 HB3 ARG A 33 -8.829 -15.199 -3.668 1.00 53.11 H new ATOM 0 HG2 ARG A 33 -11.222 -14.571 -2.652 1.00 41.11 H new ATOM 0 HG3 ARG A 33 -11.719 -14.642 -4.331 1.00 41.11 H new ATOM 0 HD2 ARG A 33 -10.583 -16.982 -4.400 1.00 5.51 H new ATOM 0 HD3 ARG A 33 -10.524 -16.881 -2.651 1.00 5.51 H new ATOM 0 HE ARG A 33 -13.127 -16.452 -4.032 1.00 61.01 H new ATOM 0 HH11 ARG A 33 -11.237 -18.522 -1.820 1.00 71.30 H new ATOM 0 HH12 ARG A 33 -12.661 -19.468 -1.375 1.00 71.30 H new ATOM 0 HH21 ARG A 33 -14.851 -17.655 -3.485 1.00 45.12 H new ATOM 0 HH22 ARG A 33 -14.709 -18.976 -2.320 1.00 45.12 H new ATOM 471 N ALA A 34 -6.836 -12.994 -3.770 1.00 45.50 N ATOM 472 CA ALA A 34 -5.494 -13.431 -3.383 1.00 63.42 C ATOM 473 C ALA A 34 -4.358 -12.570 -3.952 1.00 24.22 C ATOM 474 O ALA A 34 -3.191 -12.944 -3.794 1.00 25.11 O ATOM 475 CB ALA A 34 -5.311 -14.888 -3.831 1.00 32.33 C ATOM 0 H ALA A 34 -6.894 -12.663 -4.733 1.00 45.50 H new ATOM 0 HA ALA A 34 -5.427 -13.327 -2.300 1.00 63.42 H new ATOM 0 HB1 ALA A 34 -4.315 -15.232 -3.551 1.00 32.33 H new ATOM 0 HB2 ALA A 34 -6.061 -15.514 -3.348 1.00 32.33 H new ATOM 0 HB3 ALA A 34 -5.427 -14.953 -4.913 1.00 32.33 H new ATOM 481 N GLY A 35 -4.654 -11.449 -4.616 1.00 10.43 N ATOM 482 CA GLY A 35 -3.605 -10.602 -5.164 1.00 73.24 C ATOM 483 C GLY A 35 -2.832 -9.943 -4.021 1.00 10.45 C ATOM 484 O GLY A 35 -3.407 -9.680 -2.957 1.00 31.04 O ATOM 0 H GLY A 35 -5.603 -11.114 -4.783 1.00 10.43 H new ATOM 0 HA2 GLY A 35 -2.929 -11.195 -5.780 1.00 73.24 H new ATOM 0 HA3 GLY A 35 -4.039 -9.839 -5.811 1.00 73.24 H new ATOM 488 N ALA A 36 -1.548 -9.661 -4.250 1.00 2.45 N ATOM 489 CA ALA A 36 -0.722 -8.872 -3.343 1.00 61.24 C ATOM 490 C ALA A 36 -1.097 -7.392 -3.467 1.00 63.22 C ATOM 491 O ALA A 36 -1.722 -6.983 -4.451 1.00 22.15 O ATOM 492 CB ALA A 36 0.762 -9.102 -3.656 1.00 22.13 C ATOM 0 H ALA A 36 -1.050 -9.979 -5.081 1.00 2.45 H new ATOM 0 HA ALA A 36 -0.899 -9.184 -2.314 1.00 61.24 H new ATOM 0 HB1 ALA A 36 1.373 -8.510 -2.975 1.00 22.13 H new ATOM 0 HB2 ALA A 36 1.000 -10.158 -3.532 1.00 22.13 H new ATOM 0 HB3 ALA A 36 0.968 -8.801 -4.683 1.00 22.13 H new ATOM 498 N VAL A 37 -0.676 -6.563 -2.509 1.00 25.45 N ATOM 499 CA VAL A 37 -1.068 -5.158 -2.440 1.00 44.31 C ATOM 500 C VAL A 37 0.159 -4.305 -2.143 1.00 3.34 C ATOM 501 O VAL A 37 0.945 -4.614 -1.243 1.00 30.04 O ATOM 502 CB VAL A 37 -2.167 -4.941 -1.374 1.00 34.02 C ATOM 503 CG1 VAL A 37 -2.793 -3.541 -1.494 1.00 52.20 C ATOM 504 CG2 VAL A 37 -3.313 -5.950 -1.485 1.00 23.14 C ATOM 0 H VAL A 37 -0.050 -6.851 -1.757 1.00 25.45 H new ATOM 0 HA VAL A 37 -1.485 -4.857 -3.401 1.00 44.31 H new ATOM 0 HB VAL A 37 -1.660 -5.067 -0.417 1.00 34.02 H new ATOM 0 HG11 VAL A 37 -3.562 -3.420 -0.731 1.00 52.20 H new ATOM 0 HG12 VAL A 37 -2.021 -2.784 -1.355 1.00 52.20 H new ATOM 0 HG13 VAL A 37 -3.240 -3.426 -2.481 1.00 52.20 H new ATOM 0 HG21 VAL A 37 -4.053 -5.747 -0.711 1.00 23.14 H new ATOM 0 HG22 VAL A 37 -3.781 -5.863 -2.466 1.00 23.14 H new ATOM 0 HG23 VAL A 37 -2.922 -6.960 -1.358 1.00 23.14 H new ATOM 514 N LEU A 38 0.282 -3.199 -2.881 1.00 43.22 N ATOM 515 CA LEU A 38 1.152 -2.088 -2.543 1.00 74.22 C ATOM 516 C LEU A 38 0.274 -0.940 -2.082 1.00 43.13 C ATOM 517 O LEU A 38 -0.671 -0.572 -2.781 1.00 2.25 O ATOM 518 CB LEU A 38 1.983 -1.652 -3.755 1.00 61.14 C ATOM 519 CG LEU A 38 2.986 -2.713 -4.225 1.00 45.12 C ATOM 520 CD1 LEU A 38 3.885 -2.122 -5.311 1.00 1.51 C ATOM 521 CD2 LEU A 38 3.870 -3.288 -3.109 1.00 44.33 C ATOM 0 H LEU A 38 -0.235 -3.055 -3.748 1.00 43.22 H new ATOM 0 HA LEU A 38 1.846 -2.389 -1.758 1.00 74.22 H new ATOM 0 HB2 LEU A 38 1.311 -1.410 -4.578 1.00 61.14 H new ATOM 0 HB3 LEU A 38 2.523 -0.739 -3.505 1.00 61.14 H new ATOM 0 HG LEU A 38 2.387 -3.540 -4.605 1.00 45.12 H new ATOM 0 HD11 LEU A 38 4.597 -2.877 -5.644 1.00 1.51 H new ATOM 0 HD12 LEU A 38 3.274 -1.802 -6.155 1.00 1.51 H new ATOM 0 HD13 LEU A 38 4.426 -1.265 -4.909 1.00 1.51 H new ATOM 0 HD21 LEU A 38 4.549 -4.030 -3.529 1.00 44.33 H new ATOM 0 HD22 LEU A 38 4.448 -2.485 -2.652 1.00 44.33 H new ATOM 0 HD23 LEU A 38 3.241 -3.758 -2.353 1.00 44.33 H new ATOM 532 N VAL A 39 0.608 -0.370 -0.927 1.00 22.44 N ATOM 533 CA VAL A 39 -0.014 0.835 -0.395 1.00 53.32 C ATOM 534 C VAL A 39 1.090 1.879 -0.367 1.00 45.13 C ATOM 535 O VAL A 39 1.911 1.960 0.550 1.00 74.44 O ATOM 536 CB VAL A 39 -0.713 0.585 0.954 1.00 65.45 C ATOM 537 CG1 VAL A 39 -1.325 1.870 1.532 1.00 13.30 C ATOM 538 CG2 VAL A 39 -1.835 -0.437 0.743 1.00 10.50 C ATOM 0 H VAL A 39 1.338 -0.745 -0.321 1.00 22.44 H new ATOM 0 HA VAL A 39 -0.836 1.190 -1.017 1.00 53.32 H new ATOM 0 HB VAL A 39 0.034 0.219 1.658 1.00 65.45 H new ATOM 0 HG11 VAL A 39 -1.808 1.647 2.484 1.00 13.30 H new ATOM 0 HG12 VAL A 39 -0.539 2.609 1.688 1.00 13.30 H new ATOM 0 HG13 VAL A 39 -2.063 2.267 0.835 1.00 13.30 H new ATOM 0 HG21 VAL A 39 -2.340 -0.624 1.691 1.00 10.50 H new ATOM 0 HG22 VAL A 39 -2.552 -0.046 0.021 1.00 10.50 H new ATOM 0 HG23 VAL A 39 -1.413 -1.369 0.367 1.00 10.50 H new ATOM 548 N LYS A 40 1.179 2.632 -1.449 1.00 42.12 N ATOM 549 CA LYS A 40 2.059 3.778 -1.530 1.00 2.40 C ATOM 550 C LYS A 40 1.318 4.940 -0.855 1.00 73.24 C ATOM 551 O LYS A 40 0.097 5.044 -0.970 1.00 73.21 O ATOM 552 CB LYS A 40 2.351 3.990 -3.010 1.00 72.25 C ATOM 553 CG LYS A 40 3.126 5.282 -3.239 1.00 44.35 C ATOM 554 CD LYS A 40 3.303 5.504 -4.732 1.00 30.04 C ATOM 555 CE LYS A 40 3.365 7.012 -4.925 1.00 52.25 C ATOM 556 NZ LYS A 40 3.523 7.361 -6.345 1.00 22.41 N ATOM 0 H LYS A 40 0.640 2.463 -2.298 1.00 42.12 H new ATOM 0 HA LYS A 40 3.017 3.667 -1.023 1.00 2.40 H new ATOM 0 HB2 LYS A 40 2.924 3.146 -3.395 1.00 72.25 H new ATOM 0 HB3 LYS A 40 1.415 4.021 -3.567 1.00 72.25 H new ATOM 0 HG2 LYS A 40 2.593 6.123 -2.795 1.00 44.35 H new ATOM 0 HG3 LYS A 40 4.099 5.228 -2.750 1.00 44.35 H new ATOM 0 HD2 LYS A 40 4.214 5.026 -5.093 1.00 30.04 H new ATOM 0 HD3 LYS A 40 2.474 5.072 -5.292 1.00 30.04 H new ATOM 0 HE2 LYS A 40 2.456 7.469 -4.535 1.00 52.25 H new ATOM 0 HE3 LYS A 40 4.198 7.420 -4.353 1.00 52.25 H new ATOM 0 HZ1 LYS A 40 3.579 8.395 -6.444 1.00 22.41 H new ATOM 0 HZ2 LYS A 40 4.395 6.930 -6.714 1.00 22.41 H new ATOM 0 HZ3 LYS A 40 2.707 7.006 -6.883 1.00 22.41 H new ATOM 566 N ALA A 41 2.043 5.795 -0.137 1.00 1.41 N ATOM 567 CA ALA A 41 1.516 6.923 0.609 1.00 71.24 C ATOM 568 C ALA A 41 2.461 8.086 0.362 1.00 22.41 C ATOM 569 O ALA A 41 3.624 8.016 0.760 1.00 62.44 O ATOM 570 CB ALA A 41 1.420 6.590 2.103 1.00 10.04 C ATOM 0 H ALA A 41 3.057 5.712 -0.059 1.00 1.41 H new ATOM 0 HA ALA A 41 0.506 7.173 0.283 1.00 71.24 H new ATOM 0 HB1 ALA A 41 1.023 7.450 2.643 1.00 10.04 H new ATOM 0 HB2 ALA A 41 0.758 5.736 2.244 1.00 10.04 H new ATOM 0 HB3 ALA A 41 2.411 6.348 2.486 1.00 10.04 H new ATOM 576 N VAL A 42 2.013 9.123 -0.337 1.00 61.23 N ATOM 577 CA VAL A 42 2.850 10.286 -0.621 1.00 45.31 C ATOM 578 C VAL A 42 3.074 11.079 0.675 1.00 44.35 C ATOM 579 O VAL A 42 2.338 10.890 1.643 1.00 32.10 O ATOM 580 CB VAL A 42 2.168 11.122 -1.725 1.00 63.43 C ATOM 581 CG1 VAL A 42 1.131 12.109 -1.180 1.00 32.24 C ATOM 582 CG2 VAL A 42 3.210 11.819 -2.606 1.00 65.14 C ATOM 0 H VAL A 42 1.070 9.183 -0.720 1.00 61.23 H new ATOM 0 HA VAL A 42 3.833 9.990 -0.987 1.00 45.31 H new ATOM 0 HB VAL A 42 1.610 10.422 -2.347 1.00 63.43 H new ATOM 0 HG11 VAL A 42 0.689 12.665 -2.006 1.00 32.24 H new ATOM 0 HG12 VAL A 42 0.350 11.562 -0.652 1.00 32.24 H new ATOM 0 HG13 VAL A 42 1.615 12.803 -0.493 1.00 32.24 H new ATOM 0 HG21 VAL A 42 2.704 12.402 -3.376 1.00 65.14 H new ATOM 0 HG22 VAL A 42 3.821 12.481 -1.992 1.00 65.14 H new ATOM 0 HG23 VAL A 42 3.847 11.071 -3.077 1.00 65.14 H new ATOM 592 N ASP A 43 4.039 11.994 0.705 1.00 25.33 N ATOM 593 CA ASP A 43 4.037 13.146 1.611 1.00 10.14 C ATOM 594 C ASP A 43 4.340 14.407 0.792 1.00 62.35 C ATOM 595 O ASP A 43 5.479 14.874 0.694 1.00 72.33 O ATOM 596 CB ASP A 43 5.035 12.984 2.759 1.00 52.32 C ATOM 597 CG ASP A 43 4.815 14.020 3.868 1.00 50.23 C ATOM 598 OD1 ASP A 43 4.642 15.218 3.546 1.00 74.41 O ATOM 599 OD2 ASP A 43 4.831 13.591 5.053 1.00 45.44 O ATOM 0 H ASP A 43 4.856 11.959 0.095 1.00 25.33 H new ATOM 0 HA ASP A 43 3.054 13.227 2.075 1.00 10.14 H new ATOM 0 HB2 ASP A 43 4.945 11.982 3.178 1.00 52.32 H new ATOM 0 HB3 ASP A 43 6.050 13.078 2.372 1.00 52.32 H new ATOM 603 N ARG A 44 3.307 14.962 0.157 1.00 32.34 N ATOM 604 CA ARG A 44 3.458 16.165 -0.669 1.00 25.50 C ATOM 605 C ARG A 44 3.732 17.419 0.177 1.00 2.34 C ATOM 606 O ARG A 44 3.811 18.510 -0.385 1.00 12.12 O ATOM 607 CB ARG A 44 2.214 16.372 -1.554 1.00 25.10 C ATOM 608 CG ARG A 44 2.006 15.394 -2.717 1.00 61.34 C ATOM 609 CD ARG A 44 2.997 15.541 -3.881 1.00 53.42 C ATOM 610 NE ARG A 44 2.431 15.012 -5.136 1.00 64.01 N ATOM 611 CZ ARG A 44 1.616 15.682 -5.966 1.00 20.40 C ATOM 612 NH1 ARG A 44 1.463 16.999 -5.887 1.00 42.23 N ATOM 613 NH2 ARG A 44 0.919 15.035 -6.888 1.00 15.31 N ATOM 0 H ARG A 44 2.355 14.599 0.198 1.00 32.34 H new ATOM 0 HA ARG A 44 4.327 16.011 -1.309 1.00 25.50 H new ATOM 0 HB2 ARG A 44 1.333 16.326 -0.913 1.00 25.10 H new ATOM 0 HB3 ARG A 44 2.257 17.381 -1.965 1.00 25.10 H new ATOM 0 HG2 ARG A 44 2.072 14.377 -2.331 1.00 61.34 H new ATOM 0 HG3 ARG A 44 0.995 15.524 -3.103 1.00 61.34 H new ATOM 0 HD2 ARG A 44 3.256 16.592 -4.011 1.00 53.42 H new ATOM 0 HD3 ARG A 44 3.920 15.012 -3.644 1.00 53.42 H new ATOM 0 HE ARG A 44 2.680 14.057 -5.395 1.00 64.01 H new ATOM 0 HH11 ARG A 44 1.973 17.530 -5.181 1.00 42.23 H new ATOM 0 HH12 ARG A 44 0.836 17.479 -6.533 1.00 42.23 H new ATOM 0 HH21 ARG A 44 1.000 14.022 -6.970 1.00 15.31 H new ATOM 0 HH22 ARG A 44 0.302 15.550 -7.515 1.00 15.31 H new ATOM 624 N ARG A 45 3.788 17.347 1.515 1.00 54.24 N ATOM 625 CA ARG A 45 4.155 18.505 2.332 1.00 10.00 C ATOM 626 C ARG A 45 5.641 18.536 2.589 1.00 30.22 C ATOM 627 O ARG A 45 6.189 19.629 2.688 1.00 31.22 O ATOM 628 CB ARG A 45 3.364 18.542 3.645 1.00 12.10 C ATOM 629 CG ARG A 45 2.027 19.236 3.384 1.00 23.11 C ATOM 630 CD ARG A 45 1.099 18.366 2.534 1.00 50.11 C ATOM 631 NE ARG A 45 1.007 18.790 1.119 1.00 72.35 N ATOM 632 CZ ARG A 45 0.066 18.412 0.242 1.00 12.34 C ATOM 633 NH1 ARG A 45 -0.932 17.610 0.593 1.00 42.43 N ATOM 634 NH2 ARG A 45 0.103 18.810 -1.021 1.00 42.14 N ATOM 0 H ARG A 45 3.584 16.502 2.049 1.00 54.24 H new ATOM 0 HA ARG A 45 3.893 19.401 1.769 1.00 10.00 H new ATOM 0 HB2 ARG A 45 3.200 17.531 4.017 1.00 12.10 H new ATOM 0 HB3 ARG A 45 3.926 19.077 4.411 1.00 12.10 H new ATOM 0 HG2 ARG A 45 1.544 19.465 4.334 1.00 23.11 H new ATOM 0 HG3 ARG A 45 2.202 20.185 2.878 1.00 23.11 H new ATOM 0 HD2 ARG A 45 1.449 17.334 2.572 1.00 50.11 H new ATOM 0 HD3 ARG A 45 0.101 18.380 2.973 1.00 50.11 H new ATOM 0 HE ARG A 45 1.726 19.429 0.780 1.00 72.35 H new ATOM 0 HH11 ARG A 45 -0.997 17.265 1.551 1.00 42.43 H new ATOM 0 HH12 ARG A 45 -1.634 17.338 -0.095 1.00 42.43 H new ATOM 0 HH21 ARG A 45 0.858 19.416 -1.343 1.00 42.14 H new ATOM 0 HH22 ARG A 45 -0.623 18.510 -1.672 1.00 42.14 H new ATOM 645 N GLU A 46 6.308 17.393 2.646 1.00 11.33 N ATOM 646 CA GLU A 46 7.749 17.344 2.843 1.00 74.24 C ATOM 647 C GLU A 46 8.481 17.099 1.522 1.00 12.34 C ATOM 648 O GLU A 46 9.703 17.243 1.445 1.00 1.00 O ATOM 649 CB GLU A 46 8.076 16.318 3.931 1.00 25.14 C ATOM 650 CG GLU A 46 7.302 16.678 5.211 1.00 44.14 C ATOM 651 CD GLU A 46 7.869 16.027 6.479 1.00 34.22 C ATOM 652 OE1 GLU A 46 9.108 15.843 6.596 1.00 1.42 O ATOM 653 OE2 GLU A 46 7.122 15.832 7.463 1.00 63.14 O ATOM 0 H GLU A 46 5.868 16.477 2.557 1.00 11.33 H new ATOM 0 HA GLU A 46 8.111 18.311 3.193 1.00 74.24 H new ATOM 0 HB2 GLU A 46 7.805 15.316 3.597 1.00 25.14 H new ATOM 0 HB3 GLU A 46 9.148 16.309 4.130 1.00 25.14 H new ATOM 0 HG2 GLU A 46 7.308 17.761 5.336 1.00 44.14 H new ATOM 0 HG3 GLU A 46 6.261 16.376 5.093 1.00 44.14 H new ATOM 658 N GLY A 47 7.738 16.787 0.458 1.00 62.31 N ATOM 659 CA GLY A 47 8.313 16.382 -0.807 1.00 30.41 C ATOM 660 C GLY A 47 8.969 15.016 -0.659 1.00 71.44 C ATOM 661 O GLY A 47 10.052 14.798 -1.214 1.00 31.24 O ATOM 0 H GLY A 47 6.718 16.811 0.459 1.00 62.31 H new ATOM 0 HA2 GLY A 47 7.539 16.343 -1.573 1.00 30.41 H new ATOM 0 HA3 GLY A 47 9.049 17.116 -1.134 1.00 30.41 H new ATOM 665 N THR A 48 8.335 14.123 0.106 1.00 31.44 N ATOM 666 CA THR A 48 8.754 12.746 0.292 1.00 72.33 C ATOM 667 C THR A 48 7.625 11.813 -0.155 1.00 31.22 C ATOM 668 O THR A 48 6.536 12.249 -0.542 1.00 64.21 O ATOM 669 CB THR A 48 9.246 12.521 1.744 1.00 2.32 C ATOM 670 OG1 THR A 48 8.329 12.853 2.757 1.00 50.15 O ATOM 671 CG2 THR A 48 10.481 13.377 2.021 1.00 45.02 C ATOM 0 H THR A 48 7.489 14.354 0.627 1.00 31.44 H new ATOM 0 HA THR A 48 9.614 12.510 -0.335 1.00 72.33 H new ATOM 0 HB THR A 48 9.430 11.447 1.784 1.00 2.32 H new ATOM 0 HG1 THR A 48 8.731 12.675 3.633 1.00 50.15 H new ATOM 0 HG21 THR A 48 10.817 13.210 3.044 1.00 45.02 H new ATOM 0 HG22 THR A 48 11.277 13.103 1.328 1.00 45.02 H new ATOM 0 HG23 THR A 48 10.231 14.430 1.888 1.00 45.02 H new ATOM 679 N ALA A 49 7.871 10.508 -0.125 1.00 71.24 N ATOM 680 CA ALA A 49 6.851 9.494 -0.280 1.00 4.33 C ATOM 681 C ALA A 49 7.276 8.292 0.553 1.00 74.55 C ATOM 682 O ALA A 49 8.423 8.193 0.991 1.00 61.23 O ATOM 683 CB ALA A 49 6.667 9.149 -1.767 1.00 54.31 C ATOM 0 H ALA A 49 8.806 10.124 0.011 1.00 71.24 H new ATOM 0 HA ALA A 49 5.881 9.845 0.071 1.00 4.33 H new ATOM 0 HB1 ALA A 49 5.897 8.385 -1.871 1.00 54.31 H new ATOM 0 HB2 ALA A 49 6.367 10.043 -2.314 1.00 54.31 H new ATOM 0 HB3 ALA A 49 7.607 8.774 -2.173 1.00 54.31 H new ATOM 689 N ARG A 50 6.347 7.369 0.764 1.00 70.31 N ATOM 690 CA ARG A 50 6.553 6.091 1.435 1.00 72.14 C ATOM 691 C ARG A 50 5.913 5.023 0.577 1.00 32.31 C ATOM 692 O ARG A 50 4.890 5.264 -0.077 1.00 5.22 O ATOM 693 CB ARG A 50 5.907 6.104 2.832 1.00 10.12 C ATOM 694 CG ARG A 50 6.648 7.028 3.805 1.00 12.11 C ATOM 695 CD ARG A 50 7.696 6.319 4.673 1.00 62.22 C ATOM 696 NE ARG A 50 7.242 6.183 6.070 1.00 11.02 N ATOM 697 CZ ARG A 50 7.062 7.203 6.926 1.00 65.42 C ATOM 698 NH1 ARG A 50 7.521 8.420 6.647 1.00 73.33 N ATOM 699 NH2 ARG A 50 6.407 7.017 8.069 1.00 31.24 N ATOM 0 H ARG A 50 5.383 7.497 0.457 1.00 70.31 H new ATOM 0 HA ARG A 50 7.618 5.898 1.565 1.00 72.14 H new ATOM 0 HB2 ARG A 50 4.869 6.426 2.747 1.00 10.12 H new ATOM 0 HB3 ARG A 50 5.895 5.091 3.234 1.00 10.12 H new ATOM 0 HG2 ARG A 50 7.138 7.818 3.236 1.00 12.11 H new ATOM 0 HG3 ARG A 50 5.919 7.510 4.457 1.00 12.11 H new ATOM 0 HD2 ARG A 50 7.904 5.332 4.260 1.00 62.22 H new ATOM 0 HD3 ARG A 50 8.631 6.879 4.646 1.00 62.22 H new ATOM 0 HE ARG A 50 7.050 5.242 6.413 1.00 11.02 H new ATOM 0 HH11 ARG A 50 8.018 8.590 5.773 1.00 73.33 H new ATOM 0 HH12 ARG A 50 7.376 9.184 7.308 1.00 73.33 H new ATOM 0 HH21 ARG A 50 6.037 6.095 8.301 1.00 31.24 H new ATOM 0 HH22 ARG A 50 6.275 7.796 8.714 1.00 31.24 H new ATOM 710 N LEU A 51 6.461 3.818 0.631 1.00 13.25 N ATOM 711 CA LEU A 51 5.911 2.663 -0.067 1.00 73.54 C ATOM 712 C LEU A 51 5.887 1.497 0.900 1.00 31.14 C ATOM 713 O LEU A 51 6.906 1.188 1.526 1.00 41.44 O ATOM 714 CB LEU A 51 6.687 2.356 -1.363 1.00 14.45 C ATOM 715 CG LEU A 51 5.742 2.074 -2.547 1.00 54.10 C ATOM 716 CD1 LEU A 51 6.516 2.131 -3.851 1.00 71.23 C ATOM 717 CD2 LEU A 51 5.094 0.695 -2.560 1.00 62.32 C ATOM 0 H LEU A 51 7.306 3.612 1.164 1.00 13.25 H new ATOM 0 HA LEU A 51 4.892 2.871 -0.393 1.00 73.54 H new ATOM 0 HB2 LEU A 51 7.333 3.199 -1.607 1.00 14.45 H new ATOM 0 HB3 LEU A 51 7.335 1.494 -1.203 1.00 14.45 H new ATOM 0 HG LEU A 51 4.968 2.833 -2.437 1.00 54.10 H new ATOM 0 HD11 LEU A 51 5.842 1.931 -4.684 1.00 71.23 H new ATOM 0 HD12 LEU A 51 6.955 3.121 -3.970 1.00 71.23 H new ATOM 0 HD13 LEU A 51 7.308 1.382 -3.837 1.00 71.23 H new ATOM 0 HD21 LEU A 51 4.450 0.604 -3.435 1.00 62.32 H new ATOM 0 HD22 LEU A 51 5.869 -0.071 -2.598 1.00 62.32 H new ATOM 0 HD23 LEU A 51 4.499 0.564 -1.656 1.00 62.32 H new ATOM 728 N PHE A 52 4.709 0.889 1.012 1.00 42.30 N ATOM 729 CA PHE A 52 4.467 -0.287 1.828 1.00 34.44 C ATOM 730 C PHE A 52 4.025 -1.435 0.927 1.00 21.23 C ATOM 731 O PHE A 52 3.145 -1.265 0.079 1.00 33.52 O ATOM 732 CB PHE A 52 3.400 0.022 2.892 1.00 72.12 C ATOM 733 CG PHE A 52 3.796 1.056 3.939 1.00 2.42 C ATOM 734 CD1 PHE A 52 5.028 0.968 4.616 1.00 74.54 C ATOM 735 CD2 PHE A 52 2.940 2.141 4.209 1.00 5.30 C ATOM 736 CE1 PHE A 52 5.424 1.986 5.506 1.00 22.42 C ATOM 737 CE2 PHE A 52 3.343 3.166 5.084 1.00 24.33 C ATOM 738 CZ PHE A 52 4.586 3.091 5.731 1.00 3.03 C ATOM 0 H PHE A 52 3.876 1.214 0.522 1.00 42.30 H new ATOM 0 HA PHE A 52 5.382 -0.576 2.345 1.00 34.44 H new ATOM 0 HB2 PHE A 52 2.499 0.369 2.387 1.00 72.12 H new ATOM 0 HB3 PHE A 52 3.142 -0.906 3.403 1.00 72.12 H new ATOM 0 HD1 PHE A 52 5.672 0.117 4.452 1.00 74.54 H new ATOM 0 HD2 PHE A 52 1.968 2.186 3.741 1.00 5.30 H new ATOM 0 HE1 PHE A 52 6.373 1.917 6.016 1.00 22.42 H new ATOM 0 HE2 PHE A 52 2.695 4.012 5.258 1.00 24.33 H new ATOM 0 HZ PHE A 52 4.897 3.880 6.400 1.00 3.03 H new ATOM 747 N SER A 53 4.587 -2.617 1.153 1.00 63.54 N ATOM 748 CA SER A 53 4.123 -3.890 0.615 1.00 31.12 C ATOM 749 C SER A 53 3.557 -4.692 1.780 1.00 52.41 C ATOM 750 O SER A 53 4.136 -4.691 2.870 1.00 13.13 O ATOM 751 CB SER A 53 5.315 -4.646 0.021 1.00 44.20 C ATOM 752 OG SER A 53 5.694 -4.229 -1.255 1.00 5.34 O ATOM 0 H SER A 53 5.414 -2.718 1.741 1.00 63.54 H new ATOM 0 HA SER A 53 3.371 -3.738 -0.159 1.00 31.12 H new ATOM 0 HB2 SER A 53 6.167 -4.537 0.692 1.00 44.20 H new ATOM 0 HB3 SER A 53 5.072 -5.708 -0.016 1.00 44.20 H new ATOM 0 HG SER A 53 6.460 -4.760 -1.558 1.00 5.34 H new ATOM 757 N GLU A 54 2.438 -5.372 1.549 1.00 34.23 N ATOM 758 CA GLU A 54 1.924 -6.361 2.482 1.00 51.44 C ATOM 759 C GLU A 54 2.937 -7.507 2.572 1.00 34.53 C ATOM 760 O GLU A 54 3.552 -7.869 1.560 1.00 51.24 O ATOM 761 CB GLU A 54 0.515 -6.805 2.060 1.00 21.14 C ATOM 762 CG GLU A 54 0.459 -7.541 0.712 1.00 73.21 C ATOM 763 CD GLU A 54 0.636 -9.060 0.807 1.00 31.35 C ATOM 764 OE1 GLU A 54 0.950 -9.615 1.886 1.00 42.14 O ATOM 765 OE2 GLU A 54 0.340 -9.755 -0.183 1.00 4.12 O ATOM 0 H GLU A 54 1.866 -5.252 0.713 1.00 34.23 H new ATOM 0 HA GLU A 54 1.810 -5.945 3.483 1.00 51.44 H new ATOM 0 HB2 GLU A 54 0.106 -7.456 2.833 1.00 21.14 H new ATOM 0 HB3 GLU A 54 -0.129 -5.927 2.008 1.00 21.14 H new ATOM 0 HG2 GLU A 54 -0.499 -7.329 0.237 1.00 73.21 H new ATOM 0 HG3 GLU A 54 1.234 -7.138 0.060 1.00 73.21 H new ATOM 770 N ALA A 55 3.147 -8.047 3.770 1.00 4.24 N ATOM 771 CA ALA A 55 4.088 -9.115 4.056 1.00 14.42 C ATOM 772 C ALA A 55 3.562 -9.954 5.211 1.00 71.13 C ATOM 773 O ALA A 55 2.650 -9.539 5.929 1.00 2.12 O ATOM 774 CB ALA A 55 5.431 -8.494 4.430 1.00 10.41 C ATOM 0 H ALA A 55 2.642 -7.736 4.600 1.00 4.24 H new ATOM 0 HA ALA A 55 4.211 -9.755 3.182 1.00 14.42 H new ATOM 0 HB1 ALA A 55 6.149 -9.284 4.648 1.00 10.41 H new ATOM 0 HB2 ALA A 55 5.797 -7.890 3.599 1.00 10.41 H new ATOM 0 HB3 ALA A 55 5.308 -7.863 5.310 1.00 10.41 H new ATOM 780 N THR A 56 4.150 -11.130 5.412 1.00 12.24 N ATOM 781 CA THR A 56 3.547 -12.176 6.226 1.00 73.40 C ATOM 782 C THR A 56 4.627 -12.948 6.988 1.00 32.51 C ATOM 783 O THR A 56 5.702 -13.233 6.459 1.00 70.44 O ATOM 784 CB THR A 56 2.651 -13.086 5.354 1.00 12.41 C ATOM 785 OG1 THR A 56 2.822 -12.909 3.962 1.00 31.41 O ATOM 786 CG2 THR A 56 1.162 -12.858 5.673 1.00 25.35 C ATOM 0 H THR A 56 5.055 -11.382 5.016 1.00 12.24 H new ATOM 0 HA THR A 56 2.898 -11.726 6.977 1.00 73.40 H new ATOM 0 HB THR A 56 2.965 -14.099 5.605 1.00 12.41 H new ATOM 0 HG1 THR A 56 2.225 -13.518 3.479 1.00 31.41 H new ATOM 0 HG21 THR A 56 0.552 -13.509 5.047 1.00 25.35 H new ATOM 0 HG22 THR A 56 0.976 -13.085 6.723 1.00 25.35 H new ATOM 0 HG23 THR A 56 0.903 -11.818 5.475 1.00 25.35 H new ATOM 794 N ARG A 57 4.362 -13.197 8.276 1.00 51.03 N ATOM 795 CA ARG A 57 5.221 -13.927 9.217 1.00 5.14 C ATOM 796 C ARG A 57 5.019 -15.435 9.065 1.00 5.22 C ATOM 797 O ARG A 57 4.629 -15.916 8.000 1.00 41.03 O ATOM 798 CB ARG A 57 5.068 -13.396 10.656 1.00 64.23 C ATOM 799 CG ARG A 57 5.415 -11.901 10.734 1.00 43.24 C ATOM 800 CD ARG A 57 5.419 -11.360 12.167 1.00 72.11 C ATOM 801 NE ARG A 57 5.735 -9.922 12.211 1.00 10.12 N ATOM 802 CZ ARG A 57 4.913 -8.889 11.986 1.00 5.01 C ATOM 803 NH1 ARG A 57 3.623 -9.077 11.703 1.00 73.14 N ATOM 804 NH2 ARG A 57 5.397 -7.655 12.064 1.00 25.24 N ATOM 0 H ARG A 57 3.497 -12.878 8.713 1.00 51.03 H new ATOM 0 HA ARG A 57 6.266 -13.742 8.969 1.00 5.14 H new ATOM 0 HB2 ARG A 57 4.045 -13.553 10.998 1.00 64.23 H new ATOM 0 HB3 ARG A 57 5.718 -13.959 11.326 1.00 64.23 H new ATOM 0 HG2 ARG A 57 6.396 -11.738 10.287 1.00 43.24 H new ATOM 0 HG3 ARG A 57 4.697 -11.336 10.140 1.00 43.24 H new ATOM 0 HD2 ARG A 57 4.444 -11.531 12.622 1.00 72.11 H new ATOM 0 HD3 ARG A 57 6.149 -11.910 12.761 1.00 72.11 H new ATOM 0 HE ARG A 57 6.700 -9.683 12.441 1.00 10.12 H new ATOM 0 HH11 ARG A 57 3.244 -10.023 11.654 1.00 73.14 H new ATOM 0 HH12 ARG A 57 3.016 -8.275 11.535 1.00 73.14 H new ATOM 0 HH21 ARG A 57 6.380 -7.506 12.292 1.00 25.24 H new ATOM 0 HH22 ARG A 57 4.786 -6.856 11.896 1.00 25.24 H new ATOM 815 N GLY A 58 5.270 -16.217 10.108 1.00 62.33 N ATOM 816 CA GLY A 58 4.949 -17.634 10.100 1.00 23.51 C ATOM 817 C GLY A 58 3.485 -17.958 10.362 1.00 5.23 C ATOM 818 O GLY A 58 3.103 -19.116 10.187 1.00 31.54 O ATOM 0 H GLY A 58 5.698 -15.889 10.974 1.00 62.33 H new ATOM 0 HA2 GLY A 58 5.231 -18.051 9.133 1.00 23.51 H new ATOM 0 HA3 GLY A 58 5.558 -18.134 10.853 1.00 23.51 H new ATOM 822 N ASP A 59 2.655 -17.008 10.807 1.00 4.23 N ATOM 823 CA ASP A 59 1.324 -17.368 11.330 1.00 14.23 C ATOM 824 C ASP A 59 0.150 -16.891 10.479 1.00 23.24 C ATOM 825 O ASP A 59 -1.011 -17.037 10.856 1.00 13.11 O ATOM 826 CB ASP A 59 1.189 -16.908 12.783 1.00 61.11 C ATOM 827 CG ASP A 59 0.356 -17.943 13.519 1.00 34.22 C ATOM 828 OD1 ASP A 59 0.905 -19.041 13.742 1.00 73.51 O ATOM 829 OD2 ASP A 59 -0.858 -17.749 13.748 1.00 2.33 O ATOM 0 H ASP A 59 2.868 -16.011 10.818 1.00 4.23 H new ATOM 0 HA ASP A 59 1.267 -18.455 11.282 1.00 14.23 H new ATOM 0 HB2 ASP A 59 2.171 -16.808 13.245 1.00 61.11 H new ATOM 0 HB3 ASP A 59 0.713 -15.929 12.832 1.00 61.11 H new ATOM 833 N GLY A 60 0.453 -16.268 9.346 1.00 70.52 N ATOM 834 CA GLY A 60 -0.472 -15.353 8.691 1.00 12.22 C ATOM 835 C GLY A 60 -0.508 -14.043 9.473 1.00 74.33 C ATOM 836 O GLY A 60 -1.533 -13.355 9.483 1.00 1.14 O ATOM 0 H GLY A 60 1.342 -16.382 8.858 1.00 70.52 H new ATOM 0 HA2 GLY A 60 -0.157 -15.170 7.664 1.00 12.22 H new ATOM 0 HA3 GLY A 60 -1.468 -15.793 8.646 1.00 12.22 H new ATOM 840 N GLU A 61 0.586 -13.693 10.167 1.00 61.42 N ATOM 841 CA GLU A 61 0.617 -12.540 11.048 1.00 74.50 C ATOM 842 C GLU A 61 1.072 -11.368 10.175 1.00 33.22 C ATOM 843 O GLU A 61 2.256 -11.040 10.139 1.00 64.43 O ATOM 844 CB GLU A 61 1.507 -12.845 12.274 1.00 50.31 C ATOM 845 CG GLU A 61 0.961 -12.207 13.553 1.00 54.13 C ATOM 846 CD GLU A 61 0.008 -13.116 14.347 1.00 50.40 C ATOM 847 OE1 GLU A 61 -0.993 -13.617 13.779 1.00 10.13 O ATOM 848 OE2 GLU A 61 0.218 -13.346 15.562 1.00 70.31 O ATOM 0 H GLU A 61 1.466 -14.207 10.126 1.00 61.42 H new ATOM 0 HA GLU A 61 -0.349 -12.284 11.483 1.00 74.50 H new ATOM 0 HB2 GLU A 61 1.579 -13.924 12.410 1.00 50.31 H new ATOM 0 HB3 GLU A 61 2.517 -12.479 12.089 1.00 50.31 H new ATOM 0 HG2 GLU A 61 1.798 -11.927 14.193 1.00 54.13 H new ATOM 0 HG3 GLU A 61 0.437 -11.287 13.293 1.00 54.13 H new ATOM 853 N ARG A 62 0.155 -10.850 9.355 1.00 1.33 N ATOM 854 CA ARG A 62 0.438 -9.916 8.269 1.00 73.51 C ATOM 855 C ARG A 62 0.833 -8.548 8.827 1.00 53.20 C ATOM 856 O ARG A 62 0.497 -8.216 9.973 1.00 43.23 O ATOM 857 CB ARG A 62 -0.781 -9.883 7.324 1.00 1.01 C ATOM 858 CG ARG A 62 -0.659 -8.985 6.078 1.00 63.14 C ATOM 859 CD ARG A 62 -1.698 -9.352 5.011 1.00 61.44 C ATOM 860 NE ARG A 62 -1.126 -10.084 3.863 1.00 61.13 N ATOM 861 CZ ARG A 62 -1.832 -10.827 3.006 1.00 14.31 C ATOM 862 NH1 ARG A 62 -3.049 -11.262 3.304 1.00 54.13 N ATOM 863 NH2 ARG A 62 -1.334 -11.151 1.826 1.00 1.45 N ATOM 0 H ARG A 62 -0.836 -11.078 9.433 1.00 1.33 H new ATOM 0 HA ARG A 62 1.296 -10.243 7.682 1.00 73.51 H new ATOM 0 HB2 ARG A 62 -0.984 -10.901 6.992 1.00 1.01 H new ATOM 0 HB3 ARG A 62 -1.649 -9.556 7.897 1.00 1.01 H new ATOM 0 HG2 ARG A 62 -0.787 -7.942 6.367 1.00 63.14 H new ATOM 0 HG3 ARG A 62 0.343 -9.079 5.658 1.00 63.14 H new ATOM 0 HD2 ARG A 62 -2.478 -9.961 5.468 1.00 61.44 H new ATOM 0 HD3 ARG A 62 -2.175 -8.441 4.650 1.00 61.44 H new ATOM 0 HE ARG A 62 -0.119 -10.018 3.714 1.00 61.13 H new ATOM 0 HH11 ARG A 62 -3.467 -11.031 4.205 1.00 54.13 H new ATOM 0 HH12 ARG A 62 -3.567 -11.828 2.632 1.00 54.13 H new ATOM 0 HH21 ARG A 62 -0.402 -10.833 1.561 1.00 1.45 H new ATOM 0 HH22 ARG A 62 -1.882 -11.719 1.180 1.00 1.45 H new ATOM 874 N PHE A 63 1.579 -7.782 8.036 1.00 31.41 N ATOM 875 CA PHE A 63 2.120 -6.475 8.357 1.00 25.55 C ATOM 876 C PHE A 63 2.389 -5.759 7.041 1.00 41.21 C ATOM 877 O PHE A 63 2.193 -6.318 5.958 1.00 31.11 O ATOM 878 CB PHE A 63 3.420 -6.600 9.177 1.00 33.43 C ATOM 879 CG PHE A 63 4.526 -7.459 8.572 1.00 72.12 C ATOM 880 CD1 PHE A 63 4.397 -8.861 8.576 1.00 30.45 C ATOM 881 CD2 PHE A 63 5.713 -6.888 8.061 1.00 21.33 C ATOM 882 CE1 PHE A 63 5.425 -9.674 8.087 1.00 62.40 C ATOM 883 CE2 PHE A 63 6.751 -7.718 7.596 1.00 51.33 C ATOM 884 CZ PHE A 63 6.598 -9.106 7.596 1.00 73.53 C ATOM 0 H PHE A 63 1.835 -8.081 7.095 1.00 31.41 H new ATOM 0 HA PHE A 63 1.410 -5.914 8.965 1.00 25.55 H new ATOM 0 HB2 PHE A 63 3.817 -5.598 9.342 1.00 33.43 H new ATOM 0 HB3 PHE A 63 3.168 -7.008 10.156 1.00 33.43 H new ATOM 0 HD1 PHE A 63 3.495 -9.314 8.961 1.00 30.45 H new ATOM 0 HD2 PHE A 63 5.824 -5.814 8.027 1.00 21.33 H new ATOM 0 HE1 PHE A 63 5.308 -10.748 8.090 1.00 62.40 H new ATOM 0 HE2 PHE A 63 7.670 -7.279 7.237 1.00 51.33 H new ATOM 0 HZ PHE A 63 7.387 -9.738 7.216 1.00 73.53 H new ATOM 893 N TRP A 64 2.875 -4.530 7.152 1.00 74.41 N ATOM 894 CA TRP A 64 3.294 -3.709 6.040 1.00 14.22 C ATOM 895 C TRP A 64 4.763 -3.412 6.219 1.00 3.25 C ATOM 896 O TRP A 64 5.132 -2.761 7.194 1.00 54.00 O ATOM 897 CB TRP A 64 2.462 -2.440 6.038 1.00 22.43 C ATOM 898 CG TRP A 64 1.050 -2.711 5.669 1.00 4.23 C ATOM 899 CD1 TRP A 64 0.053 -2.933 6.550 1.00 41.23 C ATOM 900 CD2 TRP A 64 0.471 -2.865 4.341 1.00 23.53 C ATOM 901 NE1 TRP A 64 -1.118 -3.145 5.856 1.00 50.22 N ATOM 902 CE2 TRP A 64 -0.917 -3.114 4.497 1.00 44.01 C ATOM 903 CE3 TRP A 64 0.974 -2.844 3.024 1.00 11.44 C ATOM 904 CZ2 TRP A 64 -1.768 -3.311 3.407 1.00 4.44 C ATOM 905 CZ3 TRP A 64 0.136 -3.067 1.917 1.00 4.24 C ATOM 906 CH2 TRP A 64 -1.235 -3.311 2.112 1.00 34.35 C ATOM 0 H TRP A 64 2.990 -4.067 8.054 1.00 74.41 H new ATOM 0 HA TRP A 64 3.149 -4.210 5.083 1.00 14.22 H new ATOM 0 HB2 TRP A 64 2.498 -1.979 7.025 1.00 22.43 H new ATOM 0 HB3 TRP A 64 2.891 -1.725 5.336 1.00 22.43 H new ATOM 0 HD1 TRP A 64 0.156 -2.943 7.625 1.00 41.23 H new ATOM 0 HE1 TRP A 64 -2.024 -3.305 6.297 1.00 50.22 H new ATOM 0 HE3 TRP A 64 2.025 -2.653 2.862 1.00 11.44 H new ATOM 0 HZ2 TRP A 64 -2.826 -3.462 3.561 1.00 4.44 H new ATOM 0 HZ3 TRP A 64 0.545 -3.051 0.918 1.00 4.24 H new ATOM 0 HH2 TRP A 64 -1.877 -3.498 1.264 1.00 34.35 H new ATOM 916 N MET A 65 5.593 -3.934 5.327 1.00 14.05 N ATOM 917 CA MET A 65 7.020 -3.638 5.341 1.00 64.23 C ATOM 918 C MET A 65 7.459 -2.680 4.244 1.00 13.25 C ATOM 919 O MET A 65 6.686 -2.341 3.340 1.00 41.01 O ATOM 920 CB MET A 65 7.818 -4.931 5.305 1.00 65.32 C ATOM 921 CG MET A 65 7.772 -5.688 3.973 1.00 34.34 C ATOM 922 SD MET A 65 9.403 -6.103 3.302 1.00 25.11 S ATOM 923 CE MET A 65 9.999 -7.125 4.675 1.00 64.10 C ATOM 0 H MET A 65 5.302 -4.567 4.582 1.00 14.05 H new ATOM 0 HA MET A 65 7.225 -3.113 6.274 1.00 64.23 H new ATOM 0 HB2 MET A 65 8.858 -4.704 5.540 1.00 65.32 H new ATOM 0 HB3 MET A 65 7.449 -5.589 6.092 1.00 65.32 H new ATOM 0 HG2 MET A 65 7.202 -6.607 4.109 1.00 34.34 H new ATOM 0 HG3 MET A 65 7.233 -5.084 3.243 1.00 34.34 H new ATOM 0 HE1 MET A 65 10.803 -7.772 4.325 1.00 64.10 H new ATOM 0 HE2 MET A 65 10.372 -6.482 5.472 1.00 64.10 H new ATOM 0 HE3 MET A 65 9.181 -7.736 5.055 1.00 64.10 H new ATOM 931 N GLN A 66 8.728 -2.272 4.316 1.00 11.01 N ATOM 932 CA GLN A 66 9.367 -1.309 3.448 1.00 52.34 C ATOM 933 C GLN A 66 10.507 -1.975 2.664 1.00 25.13 C ATOM 934 O GLN A 66 11.680 -1.735 2.944 1.00 63.52 O ATOM 935 CB GLN A 66 9.881 -0.138 4.303 1.00 51.31 C ATOM 936 CG GLN A 66 8.814 0.480 5.208 1.00 54.40 C ATOM 937 CD GLN A 66 9.415 1.632 5.998 1.00 53.11 C ATOM 938 OE1 GLN A 66 10.197 1.484 6.914 1.00 65.42 O ATOM 939 NE2 GLN A 66 9.092 2.852 5.668 1.00 74.34 N ATOM 0 H GLN A 66 9.365 -2.632 5.027 1.00 11.01 H new ATOM 0 HA GLN A 66 8.652 -0.927 2.720 1.00 52.34 H new ATOM 0 HB2 GLN A 66 10.710 -0.487 4.919 1.00 51.31 H new ATOM 0 HB3 GLN A 66 10.277 0.635 3.644 1.00 51.31 H new ATOM 0 HG2 GLN A 66 7.977 0.836 4.608 1.00 54.40 H new ATOM 0 HG3 GLN A 66 8.420 -0.274 5.889 1.00 54.40 H new ATOM 0 HE21 GLN A 66 8.438 3.017 4.903 1.00 74.34 H new ATOM 0 HE22 GLN A 66 9.494 3.641 6.175 1.00 74.34 H new ATOM 946 N PRO A 67 10.201 -2.782 1.636 1.00 64.32 N ATOM 947 CA PRO A 67 11.218 -3.464 0.834 1.00 14.01 C ATOM 948 C PRO A 67 12.013 -2.495 -0.060 1.00 62.14 C ATOM 949 O PRO A 67 13.004 -2.891 -0.681 1.00 14.23 O ATOM 950 CB PRO A 67 10.448 -4.501 0.017 1.00 5.11 C ATOM 951 CG PRO A 67 9.085 -3.836 -0.150 1.00 25.51 C ATOM 952 CD PRO A 67 8.867 -3.120 1.172 1.00 62.44 C ATOM 0 HA PRO A 67 11.977 -3.927 1.465 1.00 14.01 H new ATOM 0 HB2 PRO A 67 10.925 -4.698 -0.943 1.00 5.11 H new ATOM 0 HB3 PRO A 67 10.374 -5.456 0.538 1.00 5.11 H new ATOM 0 HG2 PRO A 67 9.080 -3.139 -0.988 1.00 25.51 H new ATOM 0 HG3 PRO A 67 8.302 -4.570 -0.341 1.00 25.51 H new ATOM 0 HD2 PRO A 67 8.255 -2.227 1.042 1.00 62.44 H new ATOM 0 HD3 PRO A 67 8.350 -3.759 1.887 1.00 62.44 H new ATOM 957 N VAL A 68 11.611 -1.223 -0.151 1.00 62.24 N ATOM 958 CA VAL A 68 12.435 -0.195 -0.764 1.00 22.33 C ATOM 959 C VAL A 68 13.535 0.144 0.236 1.00 13.22 C ATOM 960 O VAL A 68 13.278 0.698 1.307 1.00 65.11 O ATOM 961 CB VAL A 68 11.626 1.042 -1.199 1.00 43.30 C ATOM 962 CG1 VAL A 68 12.477 1.866 -2.184 1.00 24.44 C ATOM 963 CG2 VAL A 68 10.297 0.623 -1.851 1.00 31.13 C ATOM 0 H VAL A 68 10.713 -0.887 0.197 1.00 62.24 H new ATOM 0 HA VAL A 68 12.868 -0.566 -1.693 1.00 22.33 H new ATOM 0 HB VAL A 68 11.387 1.647 -0.325 1.00 43.30 H new ATOM 0 HG11 VAL A 68 11.917 2.746 -2.501 1.00 24.44 H new ATOM 0 HG12 VAL A 68 13.399 2.180 -1.694 1.00 24.44 H new ATOM 0 HG13 VAL A 68 12.718 1.256 -3.055 1.00 24.44 H new ATOM 0 HG21 VAL A 68 9.742 1.512 -2.150 1.00 31.13 H new ATOM 0 HG22 VAL A 68 10.500 0.009 -2.729 1.00 31.13 H new ATOM 0 HG23 VAL A 68 9.706 0.050 -1.137 1.00 31.13 H new ATOM 973 N ARG A 69 14.772 -0.164 -0.144 1.00 14.34 N ATOM 974 CA ARG A 69 16.008 0.093 0.594 1.00 24.21 C ATOM 975 C ARG A 69 16.405 1.582 0.482 1.00 50.11 C ATOM 976 O ARG A 69 17.578 1.940 0.561 1.00 41.30 O ATOM 977 CB ARG A 69 17.013 -0.940 0.034 1.00 13.31 C ATOM 978 CG ARG A 69 18.332 -1.218 0.771 1.00 13.35 C ATOM 979 CD ARG A 69 19.524 -0.420 0.228 1.00 4.12 C ATOM 980 NE ARG A 69 20.795 -1.141 0.405 1.00 4.33 N ATOM 981 CZ ARG A 69 21.967 -0.794 -0.136 1.00 62.30 C ATOM 982 NH1 ARG A 69 22.073 0.292 -0.892 1.00 30.32 N ATOM 983 NH2 ARG A 69 23.042 -1.533 0.094 1.00 72.32 N ATOM 0 H ARG A 69 14.951 -0.630 -1.033 1.00 14.34 H new ATOM 0 HA ARG A 69 15.937 -0.045 1.673 1.00 24.21 H new ATOM 0 HB2 ARG A 69 16.485 -1.890 -0.052 1.00 13.31 H new ATOM 0 HB3 ARG A 69 17.269 -0.625 -0.978 1.00 13.31 H new ATOM 0 HG2 ARG A 69 18.203 -0.986 1.828 1.00 13.35 H new ATOM 0 HG3 ARG A 69 18.558 -2.282 0.703 1.00 13.35 H new ATOM 0 HD2 ARG A 69 19.369 -0.212 -0.831 1.00 4.12 H new ATOM 0 HD3 ARG A 69 19.579 0.542 0.737 1.00 4.12 H new ATOM 0 HE ARG A 69 20.780 -1.976 0.990 1.00 4.33 H new ATOM 0 HH11 ARG A 69 21.254 0.874 -1.067 1.00 30.32 H new ATOM 0 HH12 ARG A 69 22.974 0.545 -1.298 1.00 30.32 H new ATOM 0 HH21 ARG A 69 22.974 -2.364 0.682 1.00 72.32 H new ATOM 0 HH22 ARG A 69 23.938 -1.272 -0.317 1.00 72.32 H new ATOM 994 N SER A 70 15.428 2.453 0.222 1.00 62.11 N ATOM 995 CA SER A 70 15.537 3.874 -0.050 1.00 14.24 C ATOM 996 C SER A 70 14.169 4.520 0.201 1.00 43.30 C ATOM 997 O SER A 70 13.148 3.836 0.357 1.00 14.01 O ATOM 998 CB SER A 70 15.933 4.058 -1.522 1.00 45.20 C ATOM 999 OG SER A 70 16.296 5.393 -1.846 1.00 73.30 O ATOM 0 H SER A 70 14.456 2.146 0.196 1.00 62.11 H new ATOM 0 HA SER A 70 16.286 4.337 0.592 1.00 14.24 H new ATOM 0 HB2 SER A 70 16.768 3.396 -1.751 1.00 45.20 H new ATOM 0 HB3 SER A 70 15.101 3.752 -2.156 1.00 45.20 H new ATOM 0 HG SER A 70 16.288 5.507 -2.819 1.00 73.30 H new ATOM 1004 N THR A 71 14.145 5.846 0.147 1.00 70.41 N ATOM 1005 CA THR A 71 12.975 6.699 0.278 1.00 73.12 C ATOM 1006 C THR A 71 12.981 7.845 -0.749 1.00 14.42 C ATOM 1007 O THR A 71 12.195 8.793 -0.643 1.00 4.30 O ATOM 1008 CB THR A 71 12.860 7.201 1.735 1.00 62.21 C ATOM 1009 OG1 THR A 71 13.930 6.764 2.563 1.00 14.01 O ATOM 1010 CG2 THR A 71 11.547 6.719 2.338 1.00 12.43 C ATOM 0 H THR A 71 14.998 6.387 0.001 1.00 70.41 H new ATOM 0 HA THR A 71 12.084 6.113 0.053 1.00 73.12 H new ATOM 0 HB THR A 71 12.900 8.289 1.694 1.00 62.21 H new ATOM 0 HG1 THR A 71 13.805 7.113 3.470 1.00 14.01 H new ATOM 0 HG21 THR A 71 11.467 7.073 3.366 1.00 12.43 H new ATOM 0 HG22 THR A 71 10.713 7.109 1.754 1.00 12.43 H new ATOM 0 HG23 THR A 71 11.520 5.629 2.327 1.00 12.43 H new ATOM 1018 N PHE A 72 13.856 7.781 -1.759 1.00 44.13 N ATOM 1019 CA PHE A 72 13.776 8.680 -2.902 1.00 10.05 C ATOM 1020 C PHE A 72 12.544 8.324 -3.729 1.00 65.21 C ATOM 1021 O PHE A 72 12.304 7.143 -3.970 1.00 3.43 O ATOM 1022 CB PHE A 72 15.033 8.547 -3.775 1.00 42.10 C ATOM 1023 CG PHE A 72 16.091 9.601 -3.529 1.00 65.41 C ATOM 1024 CD1 PHE A 72 15.795 10.966 -3.718 1.00 14.31 C ATOM 1025 CD2 PHE A 72 17.398 9.210 -3.188 1.00 63.22 C ATOM 1026 CE1 PHE A 72 16.806 11.935 -3.585 1.00 50.03 C ATOM 1027 CE2 PHE A 72 18.404 10.178 -3.054 1.00 32.55 C ATOM 1028 CZ PHE A 72 18.117 11.538 -3.275 1.00 11.11 C ATOM 0 H PHE A 72 14.626 7.113 -1.802 1.00 44.13 H new ATOM 0 HA PHE A 72 13.704 9.707 -2.545 1.00 10.05 H new ATOM 0 HB2 PHE A 72 15.473 7.564 -3.606 1.00 42.10 H new ATOM 0 HB3 PHE A 72 14.736 8.588 -4.823 1.00 42.10 H new ATOM 0 HD1 PHE A 72 14.788 11.269 -3.966 1.00 14.31 H new ATOM 0 HD2 PHE A 72 17.627 8.166 -3.030 1.00 63.22 H new ATOM 0 HE1 PHE A 72 16.575 12.981 -3.721 1.00 50.03 H new ATOM 0 HE2 PHE A 72 19.405 9.878 -2.780 1.00 32.55 H new ATOM 0 HZ PHE A 72 18.903 12.275 -3.206 1.00 11.11 H new ATOM 1037 N GLU A 73 11.828 9.330 -4.236 1.00 41.03 N ATOM 1038 CA GLU A 73 10.665 9.154 -5.108 1.00 73.43 C ATOM 1039 C GLU A 73 10.899 8.106 -6.213 1.00 42.34 C ATOM 1040 O GLU A 73 10.149 7.136 -6.239 1.00 73.54 O ATOM 1041 CB GLU A 73 10.260 10.491 -5.743 1.00 74.31 C ATOM 1042 CG GLU A 73 9.614 11.532 -4.828 1.00 51.34 C ATOM 1043 CD GLU A 73 9.384 12.862 -5.569 1.00 3.12 C ATOM 1044 OE1 GLU A 73 9.823 13.012 -6.736 1.00 70.44 O ATOM 1045 OE2 GLU A 73 8.823 13.787 -4.937 1.00 64.14 O ATOM 0 H GLU A 73 12.045 10.309 -4.048 1.00 41.03 H new ATOM 0 HA GLU A 73 9.858 8.786 -4.475 1.00 73.43 H new ATOM 0 HB2 GLU A 73 11.150 10.937 -6.187 1.00 74.31 H new ATOM 0 HB3 GLU A 73 9.568 10.282 -6.558 1.00 74.31 H new ATOM 0 HG2 GLU A 73 8.663 11.152 -4.455 1.00 51.34 H new ATOM 0 HG3 GLU A 73 10.251 11.702 -3.960 1.00 51.34 H new ATOM 1050 N PRO A 74 11.896 8.221 -7.117 1.00 14.12 N ATOM 1051 CA PRO A 74 12.031 7.276 -8.222 1.00 65.11 C ATOM 1052 C PRO A 74 12.590 5.914 -7.794 1.00 5.15 C ATOM 1053 O PRO A 74 12.625 4.992 -8.611 1.00 31.21 O ATOM 1054 CB PRO A 74 12.962 7.965 -9.217 1.00 53.34 C ATOM 1055 CG PRO A 74 13.896 8.759 -8.305 1.00 72.54 C ATOM 1056 CD PRO A 74 12.907 9.264 -7.256 1.00 34.25 C ATOM 0 HA PRO A 74 11.055 7.043 -8.647 1.00 65.11 H new ATOM 0 HB2 PRO A 74 13.507 7.245 -9.828 1.00 53.34 H new ATOM 0 HB3 PRO A 74 12.415 8.614 -9.901 1.00 53.34 H new ATOM 0 HG2 PRO A 74 14.678 8.136 -7.870 1.00 72.54 H new ATOM 0 HG3 PRO A 74 14.393 9.574 -8.831 1.00 72.54 H new ATOM 0 HD2 PRO A 74 13.408 9.450 -6.306 1.00 34.25 H new ATOM 0 HD3 PRO A 74 12.455 10.206 -7.568 1.00 34.25 H new ATOM 1061 N ASP A 75 13.049 5.769 -6.552 1.00 63.41 N ATOM 1062 CA ASP A 75 13.495 4.491 -6.006 1.00 63.10 C ATOM 1063 C ASP A 75 12.247 3.761 -5.509 1.00 45.32 C ATOM 1064 O ASP A 75 12.058 2.572 -5.776 1.00 22.41 O ATOM 1065 CB ASP A 75 14.481 4.680 -4.840 1.00 61.40 C ATOM 1066 CG ASP A 75 15.846 5.276 -5.193 1.00 34.55 C ATOM 1067 OD1 ASP A 75 16.013 5.938 -6.243 1.00 72.40 O ATOM 1068 OD2 ASP A 75 16.754 5.156 -4.343 1.00 22.13 O ATOM 0 H ASP A 75 13.122 6.543 -5.892 1.00 63.41 H new ATOM 0 HA ASP A 75 14.018 3.925 -6.777 1.00 63.10 H new ATOM 0 HB2 ASP A 75 14.010 5.322 -4.095 1.00 61.40 H new ATOM 0 HB3 ASP A 75 14.643 3.710 -4.369 1.00 61.40 H new ATOM 1072 N LEU A 76 11.374 4.491 -4.804 1.00 50.01 N ATOM 1073 CA LEU A 76 10.080 4.037 -4.318 1.00 1.22 C ATOM 1074 C LEU A 76 9.235 3.650 -5.520 1.00 30.45 C ATOM 1075 O LEU A 76 8.829 2.502 -5.638 1.00 12.41 O ATOM 1076 CB LEU A 76 9.387 5.140 -3.490 1.00 22.45 C ATOM 1077 CG LEU A 76 10.086 5.509 -2.170 1.00 2.34 C ATOM 1078 CD1 LEU A 76 9.591 6.870 -1.694 1.00 64.54 C ATOM 1079 CD2 LEU A 76 9.813 4.494 -1.053 1.00 71.20 C ATOM 0 H LEU A 76 11.567 5.459 -4.549 1.00 50.01 H new ATOM 0 HA LEU A 76 10.209 3.176 -3.662 1.00 1.22 H new ATOM 0 HB2 LEU A 76 9.309 6.037 -4.104 1.00 22.45 H new ATOM 0 HB3 LEU A 76 8.370 4.818 -3.266 1.00 22.45 H new ATOM 0 HG LEU A 76 11.157 5.519 -2.374 1.00 2.34 H new ATOM 0 HD11 LEU A 76 10.087 7.131 -0.759 1.00 64.54 H new ATOM 0 HD12 LEU A 76 9.818 7.624 -2.448 1.00 64.54 H new ATOM 0 HD13 LEU A 76 8.513 6.830 -1.535 1.00 64.54 H new ATOM 0 HD21 LEU A 76 10.330 4.804 -0.145 1.00 71.20 H new ATOM 0 HD22 LEU A 76 8.741 4.444 -0.861 1.00 71.20 H new ATOM 0 HD23 LEU A 76 10.173 3.511 -1.358 1.00 71.20 H new ATOM 1090 N ASP A 77 8.982 4.580 -6.435 1.00 52.14 N ATOM 1091 CA ASP A 77 8.061 4.379 -7.546 1.00 10.33 C ATOM 1092 C ASP A 77 8.519 3.242 -8.453 1.00 52.44 C ATOM 1093 O ASP A 77 7.683 2.466 -8.928 1.00 2.15 O ATOM 1094 CB ASP A 77 7.870 5.696 -8.319 1.00 54.14 C ATOM 1095 CG ASP A 77 6.860 6.605 -7.623 1.00 4.31 C ATOM 1096 OD1 ASP A 77 5.845 6.089 -7.090 1.00 65.10 O ATOM 1097 OD2 ASP A 77 7.080 7.830 -7.552 1.00 43.43 O ATOM 0 H ASP A 77 9.415 5.503 -6.425 1.00 52.14 H new ATOM 0 HA ASP A 77 7.092 4.082 -7.145 1.00 10.33 H new ATOM 0 HB2 ASP A 77 8.827 6.211 -8.406 1.00 54.14 H new ATOM 0 HB3 ASP A 77 7.531 5.480 -9.332 1.00 54.14 H new ATOM 1101 N ALA A 78 9.832 3.067 -8.623 1.00 71.14 N ATOM 1102 CA ALA A 78 10.393 1.921 -9.323 1.00 50.10 C ATOM 1103 C ALA A 78 10.032 0.591 -8.667 1.00 41.54 C ATOM 1104 O ALA A 78 9.901 -0.409 -9.372 1.00 31.05 O ATOM 1105 CB ALA A 78 11.905 2.049 -9.396 1.00 61.04 C ATOM 0 H ALA A 78 10.533 3.721 -8.276 1.00 71.14 H new ATOM 0 HA ALA A 78 9.960 1.921 -10.323 1.00 50.10 H new ATOM 0 HB1 ALA A 78 12.318 1.188 -9.921 1.00 61.04 H new ATOM 0 HB2 ALA A 78 12.167 2.961 -9.932 1.00 61.04 H new ATOM 0 HB3 ALA A 78 12.316 2.090 -8.387 1.00 61.04 H new ATOM 1111 N TYR A 79 9.832 0.555 -7.348 1.00 62.02 N ATOM 1112 CA TYR A 79 9.400 -0.655 -6.667 1.00 74.41 C ATOM 1113 C TYR A 79 8.090 -1.152 -7.273 1.00 24.44 C ATOM 1114 O TYR A 79 7.979 -2.325 -7.629 1.00 14.24 O ATOM 1115 CB TYR A 79 9.187 -0.415 -5.171 1.00 12.12 C ATOM 1116 CG TYR A 79 9.104 -1.718 -4.428 1.00 32.23 C ATOM 1117 CD1 TYR A 79 10.275 -2.424 -4.102 1.00 13.05 C ATOM 1118 CD2 TYR A 79 7.838 -2.272 -4.194 1.00 53.14 C ATOM 1119 CE1 TYR A 79 10.185 -3.715 -3.560 1.00 51.43 C ATOM 1120 CE2 TYR A 79 7.747 -3.588 -3.710 1.00 2.12 C ATOM 1121 CZ TYR A 79 8.918 -4.318 -3.395 1.00 2.42 C ATOM 1122 OH TYR A 79 8.843 -5.592 -2.927 1.00 22.21 O ATOM 0 H TYR A 79 9.965 1.357 -6.732 1.00 62.02 H new ATOM 0 HA TYR A 79 10.186 -1.400 -6.793 1.00 74.41 H new ATOM 0 HB2 TYR A 79 10.007 0.184 -4.774 1.00 12.12 H new ATOM 0 HB3 TYR A 79 8.271 0.156 -5.016 1.00 12.12 H new ATOM 0 HD1 TYR A 79 11.242 -1.973 -4.268 1.00 13.05 H new ATOM 0 HD2 TYR A 79 6.945 -1.695 -4.383 1.00 53.14 H new ATOM 0 HE1 TYR A 79 11.080 -4.245 -3.270 1.00 51.43 H new ATOM 0 HE2 TYR A 79 6.778 -4.045 -3.578 1.00 2.12 H new ATOM 0 HH TYR A 79 7.903 -5.864 -2.868 1.00 22.21 H new ATOM 1131 N ALA A 80 7.095 -0.267 -7.402 1.00 63.43 N ATOM 1132 CA ALA A 80 5.786 -0.622 -7.928 1.00 21.41 C ATOM 1133 C ALA A 80 5.844 -0.953 -9.419 1.00 11.55 C ATOM 1134 O ALA A 80 4.977 -1.664 -9.927 1.00 5.34 O ATOM 1135 CB ALA A 80 4.799 0.514 -7.662 1.00 34.45 C ATOM 0 H ALA A 80 7.182 0.716 -7.142 1.00 63.43 H new ATOM 0 HA ALA A 80 5.445 -1.521 -7.415 1.00 21.41 H new ATOM 0 HB1 ALA A 80 3.819 0.245 -8.057 1.00 34.45 H new ATOM 0 HB2 ALA A 80 4.722 0.686 -6.588 1.00 34.45 H new ATOM 0 HB3 ALA A 80 5.150 1.423 -8.150 1.00 34.45 H new ATOM 1141 N GLU A 81 6.859 -0.470 -10.132 1.00 21.04 N ATOM 1142 CA GLU A 81 7.069 -0.756 -11.545 1.00 50.40 C ATOM 1143 C GLU A 81 7.667 -2.151 -11.703 1.00 53.24 C ATOM 1144 O GLU A 81 7.383 -2.862 -12.670 1.00 21.04 O ATOM 1145 CB GLU A 81 8.019 0.281 -12.149 1.00 4.12 C ATOM 1146 CG GLU A 81 7.392 1.676 -12.242 1.00 32.01 C ATOM 1147 CD GLU A 81 8.418 2.818 -12.322 1.00 23.21 C ATOM 1148 OE1 GLU A 81 9.574 2.571 -12.741 1.00 71.44 O ATOM 1149 OE2 GLU A 81 8.095 3.960 -11.919 1.00 42.51 O ATOM 0 H GLU A 81 7.571 0.143 -9.734 1.00 21.04 H new ATOM 0 HA GLU A 81 6.112 -0.712 -12.065 1.00 50.40 H new ATOM 0 HB2 GLU A 81 8.924 0.334 -11.544 1.00 4.12 H new ATOM 0 HB3 GLU A 81 8.320 -0.045 -13.145 1.00 4.12 H new ATOM 0 HG2 GLU A 81 6.749 1.716 -13.121 1.00 32.01 H new ATOM 0 HG3 GLU A 81 6.754 1.835 -11.373 1.00 32.01 H new ATOM 1154 N ARG A 82 8.523 -2.542 -10.759 1.00 30.31 N ATOM 1155 CA ARG A 82 9.190 -3.832 -10.744 1.00 3.43 C ATOM 1156 C ARG A 82 8.272 -4.923 -10.218 1.00 14.33 C ATOM 1157 O ARG A 82 8.151 -5.964 -10.853 1.00 13.31 O ATOM 1158 CB ARG A 82 10.469 -3.724 -9.907 1.00 63.31 C ATOM 1159 CG ARG A 82 11.359 -4.963 -10.077 1.00 30.32 C ATOM 1160 CD ARG A 82 12.595 -4.862 -9.177 1.00 12.41 C ATOM 1161 NE ARG A 82 13.811 -5.328 -9.857 1.00 11.22 N ATOM 1162 CZ ARG A 82 14.645 -4.560 -10.574 1.00 3.32 C ATOM 1163 NH1 ARG A 82 14.401 -3.269 -10.778 1.00 33.11 N ATOM 1164 NH2 ARG A 82 15.737 -5.091 -11.111 1.00 34.22 N ATOM 0 H ARG A 82 8.774 -1.951 -9.966 1.00 30.31 H new ATOM 0 HA ARG A 82 9.454 -4.111 -11.764 1.00 3.43 H new ATOM 0 HB2 ARG A 82 11.024 -2.833 -10.202 1.00 63.31 H new ATOM 0 HB3 ARG A 82 10.208 -3.604 -8.856 1.00 63.31 H new ATOM 0 HG2 ARG A 82 10.794 -5.861 -9.829 1.00 30.32 H new ATOM 0 HG3 ARG A 82 11.667 -5.057 -11.118 1.00 30.32 H new ATOM 0 HD2 ARG A 82 12.730 -3.827 -8.861 1.00 12.41 H new ATOM 0 HD3 ARG A 82 12.436 -5.452 -8.275 1.00 12.41 H new ATOM 0 HE ARG A 82 14.040 -6.319 -9.777 1.00 11.22 H new ATOM 0 HH11 ARG A 82 13.563 -2.840 -10.385 1.00 33.11 H new ATOM 0 HH12 ARG A 82 15.052 -2.708 -11.327 1.00 33.11 H new ATOM 0 HH21 ARG A 82 15.941 -6.082 -10.978 1.00 34.22 H new ATOM 0 HH22 ARG A 82 16.372 -4.508 -11.656 1.00 34.22 H new ATOM 1175 N ALA A 83 7.609 -4.700 -9.085 1.00 54.51 N ATOM 1176 CA ALA A 83 6.742 -5.688 -8.460 1.00 44.50 C ATOM 1177 C ALA A 83 5.675 -6.124 -9.463 1.00 23.44 C ATOM 1178 O ALA A 83 5.485 -7.314 -9.700 1.00 3.12 O ATOM 1179 CB ALA A 83 6.128 -5.105 -7.180 1.00 5.55 C ATOM 0 H ALA A 83 7.661 -3.819 -8.573 1.00 54.51 H new ATOM 0 HA ALA A 83 7.315 -6.570 -8.173 1.00 44.50 H new ATOM 0 HB1 ALA A 83 5.480 -5.848 -6.716 1.00 5.55 H new ATOM 0 HB2 ALA A 83 6.923 -4.833 -6.486 1.00 5.55 H new ATOM 0 HB3 ALA A 83 5.544 -4.219 -7.428 1.00 5.55 H new ATOM 1185 N ALA A 84 5.064 -5.155 -10.151 1.00 34.01 N ATOM 1186 CA ALA A 84 4.020 -5.354 -11.154 1.00 52.12 C ATOM 1187 C ALA A 84 4.551 -5.864 -12.501 1.00 25.13 C ATOM 1188 O ALA A 84 3.970 -5.576 -13.552 1.00 5.42 O ATOM 1189 CB ALA A 84 3.258 -4.035 -11.312 1.00 24.22 C ATOM 0 H ALA A 84 5.295 -4.171 -10.017 1.00 34.01 H new ATOM 0 HA ALA A 84 3.353 -6.142 -10.805 1.00 52.12 H new ATOM 0 HB1 ALA A 84 2.471 -4.156 -12.057 1.00 24.22 H new ATOM 0 HB2 ALA A 84 2.814 -3.755 -10.357 1.00 24.22 H new ATOM 0 HB3 ALA A 84 3.946 -3.254 -11.635 1.00 24.22 H new ATOM 1195 N ARG A 85 5.667 -6.588 -12.485 1.00 54.53 N ATOM 1196 CA ARG A 85 6.254 -7.251 -13.638 1.00 65.40 C ATOM 1197 C ARG A 85 6.663 -8.695 -13.322 1.00 13.45 C ATOM 1198 O ARG A 85 7.023 -9.428 -14.246 1.00 45.20 O ATOM 1199 CB ARG A 85 7.412 -6.366 -14.094 1.00 23.22 C ATOM 1200 CG ARG A 85 8.060 -6.789 -15.408 1.00 73.33 C ATOM 1201 CD ARG A 85 9.104 -5.720 -15.713 1.00 43.53 C ATOM 1202 NE ARG A 85 9.763 -5.945 -17.003 1.00 22.13 N ATOM 1203 CZ ARG A 85 9.189 -5.847 -18.208 1.00 53.13 C ATOM 1204 NH1 ARG A 85 7.940 -5.419 -18.355 1.00 53.10 N ATOM 1205 NH2 ARG A 85 9.906 -6.204 -19.259 1.00 11.25 N ATOM 0 H ARG A 85 6.207 -6.733 -11.632 1.00 54.53 H new ATOM 0 HA ARG A 85 5.534 -7.360 -14.449 1.00 65.40 H new ATOM 0 HB2 ARG A 85 7.051 -5.343 -14.196 1.00 23.22 H new ATOM 0 HB3 ARG A 85 8.174 -6.359 -13.315 1.00 23.22 H new ATOM 0 HG2 ARG A 85 8.521 -7.773 -15.319 1.00 73.33 H new ATOM 0 HG3 ARG A 85 7.321 -6.854 -16.206 1.00 73.33 H new ATOM 0 HD2 ARG A 85 8.628 -4.739 -15.716 1.00 43.53 H new ATOM 0 HD3 ARG A 85 9.853 -5.709 -14.921 1.00 43.53 H new ATOM 0 HE ARG A 85 10.750 -6.200 -16.980 1.00 22.13 H new ATOM 0 HH11 ARG A 85 7.392 -5.155 -17.536 1.00 53.10 H new ATOM 0 HH12 ARG A 85 7.529 -5.355 -19.286 1.00 53.10 H new ATOM 0 HH21 ARG A 85 10.861 -6.540 -19.135 1.00 11.25 H new ATOM 0 HH22 ARG A 85 9.504 -6.144 -20.195 1.00 11.25 H new ATOM 1216 N ILE A 86 6.639 -9.106 -12.051 1.00 53.50 N ATOM 1217 CA ILE A 86 6.831 -10.495 -11.631 1.00 32.25 C ATOM 1218 C ILE A 86 5.628 -10.984 -10.817 1.00 43.53 C ATOM 1219 O ILE A 86 5.281 -12.159 -10.929 1.00 25.34 O ATOM 1220 CB ILE A 86 8.156 -10.705 -10.848 1.00 24.41 C ATOM 1221 CG1 ILE A 86 9.426 -10.125 -11.514 1.00 13.14 C ATOM 1222 CG2 ILE A 86 8.431 -12.212 -10.649 1.00 10.32 C ATOM 1223 CD1 ILE A 86 9.626 -8.619 -11.316 1.00 5.22 C ATOM 0 H ILE A 86 6.482 -8.469 -11.270 1.00 53.50 H new ATOM 0 HA ILE A 86 6.907 -11.095 -12.538 1.00 32.25 H new ATOM 0 HB ILE A 86 7.987 -10.166 -9.916 1.00 24.41 H new ATOM 0 HG12 ILE A 86 10.297 -10.648 -11.119 1.00 13.14 H new ATOM 0 HG13 ILE A 86 9.386 -10.334 -12.583 1.00 13.14 H new ATOM 0 HG21 ILE A 86 9.363 -12.342 -10.099 1.00 10.32 H new ATOM 0 HG22 ILE A 86 7.612 -12.660 -10.087 1.00 10.32 H new ATOM 0 HG23 ILE A 86 8.513 -12.698 -11.621 1.00 10.32 H new ATOM 0 HD11 ILE A 86 10.541 -8.304 -11.818 1.00 5.22 H new ATOM 0 HD12 ILE A 86 8.777 -8.081 -11.738 1.00 5.22 H new ATOM 0 HD13 ILE A 86 9.702 -8.399 -10.251 1.00 5.22 H new ATOM 1234 N ASP A 87 4.996 -10.147 -9.981 1.00 51.42 N ATOM 1235 CA ASP A 87 3.927 -10.649 -9.114 1.00 1.33 C ATOM 1236 C ASP A 87 2.742 -11.034 -9.997 1.00 24.12 C ATOM 1237 O ASP A 87 2.434 -10.329 -10.962 1.00 62.20 O ATOM 1238 CB ASP A 87 3.489 -9.612 -8.067 1.00 72.21 C ATOM 1239 CG ASP A 87 4.337 -9.673 -6.800 1.00 51.41 C ATOM 1240 OD1 ASP A 87 5.553 -9.401 -6.864 1.00 41.20 O ATOM 1241 OD2 ASP A 87 3.783 -10.016 -5.724 1.00 4.35 O ATOM 0 H ASP A 87 5.199 -9.152 -9.889 1.00 51.42 H new ATOM 0 HA ASP A 87 4.301 -11.512 -8.563 1.00 1.33 H new ATOM 0 HB2 ASP A 87 3.556 -8.613 -8.498 1.00 72.21 H new ATOM 0 HB3 ASP A 87 2.443 -9.779 -7.810 1.00 72.21 H new ATOM 1245 N PRO A 88 2.018 -12.107 -9.647 1.00 42.10 N ATOM 1246 CA PRO A 88 1.100 -12.759 -10.569 1.00 62.43 C ATOM 1247 C PRO A 88 -0.145 -11.909 -10.780 1.00 43.24 C ATOM 1248 O PRO A 88 -0.715 -11.920 -11.874 1.00 53.42 O ATOM 1249 CB PRO A 88 0.772 -14.113 -9.929 1.00 61.02 C ATOM 1250 CG PRO A 88 1.022 -13.872 -8.439 1.00 2.32 C ATOM 1251 CD PRO A 88 2.189 -12.901 -8.447 1.00 42.40 C ATOM 0 HA PRO A 88 1.535 -12.893 -11.559 1.00 62.43 H new ATOM 0 HB2 PRO A 88 -0.260 -14.408 -10.121 1.00 61.02 H new ATOM 0 HB3 PRO A 88 1.409 -14.907 -10.320 1.00 61.02 H new ATOM 0 HG2 PRO A 88 0.147 -13.449 -7.945 1.00 2.32 H new ATOM 0 HG3 PRO A 88 1.268 -14.796 -7.915 1.00 2.32 H new ATOM 0 HD2 PRO A 88 2.184 -12.273 -7.556 1.00 42.40 H new ATOM 0 HD3 PRO A 88 3.141 -13.431 -8.458 1.00 42.40 H new ATOM 1256 N ASP A 89 -0.583 -11.169 -9.755 1.00 42.54 N ATOM 1257 CA ASP A 89 -1.663 -10.203 -9.899 1.00 31.25 C ATOM 1258 C ASP A 89 -1.659 -9.261 -8.707 1.00 30.24 C ATOM 1259 O ASP A 89 -2.255 -9.553 -7.672 1.00 52.22 O ATOM 1260 CB ASP A 89 -3.018 -10.917 -10.084 1.00 72.02 C ATOM 1261 CG ASP A 89 -3.853 -10.359 -11.236 1.00 61.12 C ATOM 1262 OD1 ASP A 89 -3.302 -9.700 -12.149 1.00 54.12 O ATOM 1263 OD2 ASP A 89 -5.063 -10.667 -11.260 1.00 21.11 O ATOM 0 H ASP A 89 -0.198 -11.226 -8.812 1.00 42.54 H new ATOM 0 HA ASP A 89 -1.505 -9.607 -10.798 1.00 31.25 H new ATOM 0 HB2 ASP A 89 -2.839 -11.978 -10.257 1.00 72.02 H new ATOM 0 HB3 ASP A 89 -3.590 -10.837 -9.160 1.00 72.02 H new ATOM 1267 N ILE A 90 -0.934 -8.152 -8.832 1.00 62.12 N ATOM 1268 CA ILE A 90 -0.697 -7.211 -7.743 1.00 1.32 C ATOM 1269 C ILE A 90 -1.537 -5.941 -7.945 1.00 61.24 C ATOM 1270 O ILE A 90 -1.746 -5.486 -9.077 1.00 3.54 O ATOM 1271 CB ILE A 90 0.824 -6.977 -7.607 1.00 51.51 C ATOM 1272 CG1 ILE A 90 1.162 -6.190 -6.324 1.00 63.42 C ATOM 1273 CG2 ILE A 90 1.447 -6.364 -8.874 1.00 73.30 C ATOM 1274 CD1 ILE A 90 2.668 -6.051 -6.075 1.00 1.32 C ATOM 0 H ILE A 90 -0.488 -7.879 -9.708 1.00 62.12 H new ATOM 0 HA ILE A 90 -1.030 -7.614 -6.787 1.00 1.32 H new ATOM 0 HB ILE A 90 1.291 -7.957 -7.504 1.00 51.51 H new ATOM 0 HG12 ILE A 90 0.719 -5.196 -6.389 1.00 63.42 H new ATOM 0 HG13 ILE A 90 0.704 -6.688 -5.470 1.00 63.42 H new ATOM 0 HG21 ILE A 90 2.517 -6.222 -8.721 1.00 73.30 H new ATOM 0 HG22 ILE A 90 1.287 -7.034 -9.719 1.00 73.30 H new ATOM 0 HG23 ILE A 90 0.979 -5.402 -9.081 1.00 73.30 H new ATOM 0 HD11 ILE A 90 2.835 -5.487 -5.157 1.00 1.32 H new ATOM 0 HD12 ILE A 90 3.114 -7.041 -5.979 1.00 1.32 H new ATOM 0 HD13 ILE A 90 3.128 -5.526 -6.912 1.00 1.32 H new ATOM 1285 N TRP A 91 -2.031 -5.394 -6.834 1.00 14.35 N ATOM 1286 CA TRP A 91 -2.804 -4.165 -6.763 1.00 14.34 C ATOM 1287 C TRP A 91 -1.875 -2.965 -6.539 1.00 43.30 C ATOM 1288 O TRP A 91 -0.765 -3.110 -6.019 1.00 21.35 O ATOM 1289 CB TRP A 91 -3.819 -4.272 -5.610 1.00 63.22 C ATOM 1290 CG TRP A 91 -4.927 -5.277 -5.768 1.00 43.44 C ATOM 1291 CD1 TRP A 91 -4.790 -6.623 -5.810 1.00 44.44 C ATOM 1292 CD2 TRP A 91 -6.364 -5.031 -5.849 1.00 12.24 C ATOM 1293 NE1 TRP A 91 -6.032 -7.212 -5.960 1.00 32.15 N ATOM 1294 CE2 TRP A 91 -7.033 -6.272 -6.039 1.00 5.11 C ATOM 1295 CE3 TRP A 91 -7.175 -3.881 -5.775 1.00 62.44 C ATOM 1296 CZ2 TRP A 91 -8.420 -6.356 -6.225 1.00 11.24 C ATOM 1297 CZ3 TRP A 91 -8.576 -3.958 -5.897 1.00 1.23 C ATOM 1298 CH2 TRP A 91 -9.198 -5.193 -6.135 1.00 21.43 C ATOM 0 H TRP A 91 -1.893 -5.821 -5.918 1.00 14.35 H new ATOM 0 HA TRP A 91 -3.335 -4.018 -7.703 1.00 14.34 H new ATOM 0 HB2 TRP A 91 -3.272 -4.511 -4.698 1.00 63.22 H new ATOM 0 HB3 TRP A 91 -4.270 -3.291 -5.463 1.00 63.22 H new ATOM 0 HD1 TRP A 91 -3.853 -7.156 -5.737 1.00 44.44 H new ATOM 0 HE1 TRP A 91 -6.187 -8.219 -6.006 1.00 32.15 H new ATOM 0 HE3 TRP A 91 -6.711 -2.918 -5.621 1.00 62.44 H new ATOM 0 HZ2 TRP A 91 -8.885 -7.308 -6.436 1.00 11.24 H new ATOM 0 HZ3 TRP A 91 -9.174 -3.063 -5.807 1.00 1.23 H new ATOM 0 HH2 TRP A 91 -10.271 -5.248 -6.248 1.00 21.43 H new ATOM 1308 N VAL A 92 -2.361 -1.768 -6.862 1.00 65.20 N ATOM 1309 CA VAL A 92 -1.702 -0.485 -6.643 1.00 12.12 C ATOM 1310 C VAL A 92 -2.747 0.377 -5.954 1.00 23.01 C ATOM 1311 O VAL A 92 -3.838 0.570 -6.501 1.00 11.12 O ATOM 1312 CB VAL A 92 -1.267 0.151 -7.982 1.00 52.51 C ATOM 1313 CG1 VAL A 92 -0.688 1.562 -7.844 1.00 4.13 C ATOM 1314 CG2 VAL A 92 -0.211 -0.677 -8.717 1.00 5.51 C ATOM 0 H VAL A 92 -3.273 -1.663 -7.307 1.00 65.20 H new ATOM 0 HA VAL A 92 -0.795 -0.590 -6.047 1.00 12.12 H new ATOM 0 HB VAL A 92 -2.199 0.188 -8.546 1.00 52.51 H new ATOM 0 HG11 VAL A 92 -0.407 1.938 -8.828 1.00 4.13 H new ATOM 0 HG12 VAL A 92 -1.436 2.221 -7.404 1.00 4.13 H new ATOM 0 HG13 VAL A 92 0.192 1.533 -7.202 1.00 4.13 H new ATOM 0 HG21 VAL A 92 0.056 -0.181 -9.650 1.00 5.51 H new ATOM 0 HG22 VAL A 92 0.676 -0.773 -8.091 1.00 5.51 H new ATOM 0 HG23 VAL A 92 -0.611 -1.667 -8.934 1.00 5.51 H new ATOM 1324 N VAL A 93 -2.423 0.863 -4.760 1.00 3.44 N ATOM 1325 CA VAL A 93 -3.279 1.724 -3.974 1.00 23.32 C ATOM 1326 C VAL A 93 -2.430 2.948 -3.634 1.00 11.50 C ATOM 1327 O VAL A 93 -1.460 2.845 -2.876 1.00 45.31 O ATOM 1328 CB VAL A 93 -3.834 0.969 -2.746 1.00 65.15 C ATOM 1329 CG1 VAL A 93 -5.095 1.676 -2.248 1.00 5.14 C ATOM 1330 CG2 VAL A 93 -4.217 -0.499 -3.022 1.00 12.42 C ATOM 0 H VAL A 93 -1.532 0.659 -4.306 1.00 3.44 H new ATOM 0 HA VAL A 93 -4.172 2.045 -4.511 1.00 23.32 H new ATOM 0 HB VAL A 93 -3.027 0.970 -2.013 1.00 65.15 H new ATOM 0 HG11 VAL A 93 -5.491 1.147 -1.381 1.00 5.14 H new ATOM 0 HG12 VAL A 93 -4.851 2.701 -1.967 1.00 5.14 H new ATOM 0 HG13 VAL A 93 -5.844 1.685 -3.040 1.00 5.14 H new ATOM 0 HG21 VAL A 93 -4.597 -0.954 -2.107 1.00 12.42 H new ATOM 0 HG22 VAL A 93 -4.987 -0.535 -3.793 1.00 12.42 H new ATOM 0 HG23 VAL A 93 -3.338 -1.047 -3.362 1.00 12.42 H new ATOM 1340 N GLU A 94 -2.726 4.081 -4.272 1.00 71.14 N ATOM 1341 CA GLU A 94 -2.072 5.353 -4.000 1.00 31.32 C ATOM 1342 C GLU A 94 -2.922 6.078 -2.969 1.00 22.10 C ATOM 1343 O GLU A 94 -4.110 6.324 -3.209 1.00 15.21 O ATOM 1344 CB GLU A 94 -1.952 6.227 -5.264 1.00 24.22 C ATOM 1345 CG GLU A 94 -1.086 5.620 -6.380 1.00 30.34 C ATOM 1346 CD GLU A 94 0.027 6.549 -6.880 1.00 13.51 C ATOM 1347 OE1 GLU A 94 -0.224 7.750 -7.105 1.00 2.30 O ATOM 1348 OE2 GLU A 94 1.152 6.060 -7.131 1.00 1.13 O ATOM 0 H GLU A 94 -3.437 4.137 -5.001 1.00 71.14 H new ATOM 0 HA GLU A 94 -1.059 5.168 -3.642 1.00 31.32 H new ATOM 0 HB2 GLU A 94 -2.951 6.413 -5.658 1.00 24.22 H new ATOM 0 HB3 GLU A 94 -1.535 7.194 -4.983 1.00 24.22 H new ATOM 0 HG2 GLU A 94 -0.638 4.696 -6.016 1.00 30.34 H new ATOM 0 HG3 GLU A 94 -1.728 5.354 -7.220 1.00 30.34 H new ATOM 1353 N ILE A 95 -2.322 6.421 -1.833 1.00 12.31 N ATOM 1354 CA ILE A 95 -2.888 7.319 -0.841 1.00 21.04 C ATOM 1355 C ILE A 95 -2.138 8.637 -1.058 1.00 63.22 C ATOM 1356 O ILE A 95 -0.934 8.720 -0.799 1.00 72.33 O ATOM 1357 CB ILE A 95 -2.753 6.720 0.587 1.00 11.20 C ATOM 1358 CG1 ILE A 95 -3.046 5.200 0.681 1.00 23.22 C ATOM 1359 CG2 ILE A 95 -3.643 7.487 1.584 1.00 33.24 C ATOM 1360 CD1 ILE A 95 -4.412 4.749 0.144 1.00 73.24 C ATOM 0 H ILE A 95 -1.401 6.069 -1.573 1.00 12.31 H new ATOM 0 HA ILE A 95 -3.961 7.478 -0.946 1.00 21.04 H new ATOM 0 HB ILE A 95 -1.701 6.840 0.847 1.00 11.20 H new ATOM 0 HG12 ILE A 95 -2.268 4.665 0.137 1.00 23.22 H new ATOM 0 HG13 ILE A 95 -2.970 4.898 1.726 1.00 23.22 H new ATOM 0 HG21 ILE A 95 -3.534 7.052 2.578 1.00 33.24 H new ATOM 0 HG22 ILE A 95 -3.341 8.534 1.611 1.00 33.24 H new ATOM 0 HG23 ILE A 95 -4.684 7.418 1.270 1.00 33.24 H new ATOM 0 HD11 ILE A 95 -4.510 3.670 0.259 1.00 73.24 H new ATOM 0 HD12 ILE A 95 -5.205 5.247 0.702 1.00 73.24 H new ATOM 0 HD13 ILE A 95 -4.492 5.010 -0.911 1.00 73.24 H new ATOM 1371 N GLU A 96 -2.781 9.642 -1.648 1.00 21.24 N ATOM 1372 CA GLU A 96 -2.247 10.994 -1.664 1.00 53.53 C ATOM 1373 C GLU A 96 -2.795 11.695 -0.422 1.00 70.13 C ATOM 1374 O GLU A 96 -3.935 12.173 -0.421 1.00 64.21 O ATOM 1375 CB GLU A 96 -2.584 11.756 -2.955 1.00 4.51 C ATOM 1376 CG GLU A 96 -1.626 11.443 -4.118 1.00 40.13 C ATOM 1377 CD GLU A 96 -1.776 12.425 -5.288 1.00 35.41 C ATOM 1378 OE1 GLU A 96 -2.047 13.620 -5.044 1.00 12.31 O ATOM 1379 OE2 GLU A 96 -1.583 12.000 -6.459 1.00 4.11 O ATOM 0 H GLU A 96 -3.678 9.540 -2.123 1.00 21.24 H new ATOM 0 HA GLU A 96 -1.158 10.966 -1.645 1.00 53.53 H new ATOM 0 HB2 GLU A 96 -3.602 11.511 -3.257 1.00 4.51 H new ATOM 0 HB3 GLU A 96 -2.560 12.827 -2.753 1.00 4.51 H new ATOM 0 HG2 GLU A 96 -0.599 11.471 -3.755 1.00 40.13 H new ATOM 0 HG3 GLU A 96 -1.811 10.429 -4.473 1.00 40.13 H new ATOM 1384 N ASP A 97 -2.012 11.726 0.656 1.00 70.52 N ATOM 1385 CA ASP A 97 -2.322 12.537 1.831 1.00 14.04 C ATOM 1386 C ASP A 97 -1.155 13.454 2.142 1.00 33.52 C ATOM 1387 O ASP A 97 -0.044 13.259 1.650 1.00 22.42 O ATOM 1388 CB ASP A 97 -2.766 11.689 3.036 1.00 52.32 C ATOM 1389 CG ASP A 97 -3.687 12.457 4.000 1.00 61.11 C ATOM 1390 OD1 ASP A 97 -4.012 13.639 3.745 1.00 13.02 O ATOM 1391 OD2 ASP A 97 -4.130 11.853 4.994 1.00 32.44 O ATOM 0 H ASP A 97 -1.148 11.191 0.739 1.00 70.52 H new ATOM 0 HA ASP A 97 -3.185 13.162 1.602 1.00 14.04 H new ATOM 0 HB2 ASP A 97 -3.284 10.800 2.677 1.00 52.32 H new ATOM 0 HB3 ASP A 97 -1.884 11.347 3.578 1.00 52.32 H new ATOM 1395 N ARG A 98 -1.442 14.479 2.936 1.00 30.20 N ATOM 1396 CA ARG A 98 -0.511 15.471 3.419 1.00 21.30 C ATOM 1397 C ARG A 98 0.606 14.791 4.195 1.00 10.31 C ATOM 1398 O ARG A 98 1.712 14.697 3.687 1.00 65.45 O ATOM 1399 CB ARG A 98 -1.337 16.541 4.178 1.00 21.31 C ATOM 1400 CG ARG A 98 -0.586 17.307 5.266 1.00 74.52 C ATOM 1401 CD ARG A 98 -1.286 18.558 5.795 1.00 45.23 C ATOM 1402 NE ARG A 98 -0.891 18.777 7.199 1.00 65.41 N ATOM 1403 CZ ARG A 98 -1.695 18.751 8.267 1.00 50.23 C ATOM 1404 NH1 ARG A 98 -3.017 18.766 8.152 1.00 5.30 N ATOM 1405 NH2 ARG A 98 -1.168 18.733 9.480 1.00 34.32 N ATOM 0 H ARG A 98 -2.390 14.642 3.276 1.00 30.20 H new ATOM 0 HA ARG A 98 0.017 16.000 2.626 1.00 21.30 H new ATOM 0 HB2 ARG A 98 -1.721 17.259 3.453 1.00 21.31 H new ATOM 0 HB3 ARG A 98 -2.200 16.053 4.632 1.00 21.31 H new ATOM 0 HG2 ARG A 98 -0.406 16.632 6.103 1.00 74.52 H new ATOM 0 HG3 ARG A 98 0.389 17.596 4.874 1.00 74.52 H new ATOM 0 HD2 ARG A 98 -1.017 19.424 5.190 1.00 45.23 H new ATOM 0 HD3 ARG A 98 -2.367 18.442 5.723 1.00 45.23 H new ATOM 0 HE ARG A 98 0.096 18.968 7.373 1.00 65.41 H new ATOM 0 HH11 ARG A 98 -3.448 18.798 7.228 1.00 5.30 H new ATOM 0 HH12 ARG A 98 -3.602 18.745 8.987 1.00 5.30 H new ATOM 0 HH21 ARG A 98 -0.155 18.739 9.596 1.00 34.32 H new ATOM 0 HH22 ARG A 98 -1.775 18.713 10.300 1.00 34.32 H new ATOM 1416 N ASP A 99 0.316 14.334 5.405 1.00 30.52 N ATOM 1417 CA ASP A 99 1.339 14.029 6.414 1.00 13.02 C ATOM 1418 C ASP A 99 1.787 12.563 6.301 1.00 2.33 C ATOM 1419 O ASP A 99 2.066 11.915 7.316 1.00 44.12 O ATOM 1420 CB ASP A 99 0.841 14.303 7.849 1.00 44.12 C ATOM 1421 CG ASP A 99 0.348 15.713 8.154 1.00 10.23 C ATOM 1422 OD1 ASP A 99 1.069 16.713 7.960 1.00 33.12 O ATOM 1423 OD2 ASP A 99 -0.856 15.802 8.491 1.00 21.11 O ATOM 0 H ASP A 99 -0.638 14.161 5.723 1.00 30.52 H new ATOM 0 HA ASP A 99 2.184 14.689 6.217 1.00 13.02 H new ATOM 0 HB2 ASP A 99 0.030 13.607 8.065 1.00 44.12 H new ATOM 0 HB3 ASP A 99 1.652 14.071 8.539 1.00 44.12 H new ATOM 1427 N GLY A 100 1.792 11.985 5.096 1.00 41.35 N ATOM 1428 CA GLY A 100 2.276 10.625 4.903 1.00 24.10 C ATOM 1429 C GLY A 100 1.286 9.539 5.337 1.00 31.12 C ATOM 1430 O GLY A 100 1.702 8.390 5.514 1.00 64.25 O ATOM 0 H GLY A 100 1.466 12.441 4.244 1.00 41.35 H new ATOM 0 HA2 GLY A 100 2.515 10.483 3.849 1.00 24.10 H new ATOM 0 HA3 GLY A 100 3.204 10.499 5.461 1.00 24.10 H new ATOM 1434 N ARG A 101 -0.001 9.858 5.550 1.00 71.13 N ATOM 1435 CA ARG A 101 -0.950 8.872 6.077 1.00 72.44 C ATOM 1436 C ARG A 101 -1.093 7.702 5.116 1.00 61.31 C ATOM 1437 O ARG A 101 -1.093 7.861 3.899 1.00 23.54 O ATOM 1438 CB ARG A 101 -2.354 9.442 6.316 1.00 22.53 C ATOM 1439 CG ARG A 101 -2.441 10.453 7.459 1.00 62.24 C ATOM 1440 CD ARG A 101 -3.889 10.520 7.974 1.00 5.32 C ATOM 1441 NE ARG A 101 -4.093 11.622 8.920 1.00 5.34 N ATOM 1442 CZ ARG A 101 -3.508 11.731 10.113 1.00 52.02 C ATOM 1443 NH1 ARG A 101 -2.888 10.696 10.671 1.00 33.43 N ATOM 1444 NH2 ARG A 101 -3.519 12.900 10.734 1.00 23.30 N ATOM 0 H ARG A 101 -0.401 10.778 5.368 1.00 71.13 H new ATOM 0 HA ARG A 101 -0.535 8.557 7.034 1.00 72.44 H new ATOM 0 HB2 ARG A 101 -2.700 9.919 5.399 1.00 22.53 H new ATOM 0 HB3 ARG A 101 -3.037 8.618 6.524 1.00 22.53 H new ATOM 0 HG2 ARG A 101 -1.769 10.163 8.267 1.00 62.24 H new ATOM 0 HG3 ARG A 101 -2.120 11.436 7.115 1.00 62.24 H new ATOM 0 HD2 ARG A 101 -4.568 10.639 7.129 1.00 5.32 H new ATOM 0 HD3 ARG A 101 -4.144 9.577 8.458 1.00 5.32 H new ATOM 0 HE ARG A 101 -4.734 12.365 8.643 1.00 5.34 H new ATOM 0 HH11 ARG A 101 -2.854 9.800 10.186 1.00 33.43 H new ATOM 0 HH12 ARG A 101 -2.446 10.798 11.585 1.00 33.43 H new ATOM 0 HH21 ARG A 101 -3.972 13.704 10.299 1.00 23.30 H new ATOM 0 HH22 ARG A 101 -3.075 12.997 11.647 1.00 23.30 H new ATOM 1455 N HIS A 102 -1.326 6.529 5.695 1.00 45.04 N ATOM 1456 CA HIS A 102 -1.507 5.276 4.978 1.00 52.14 C ATOM 1457 C HIS A 102 -2.848 4.620 5.306 1.00 25.23 C ATOM 1458 O HIS A 102 -3.258 3.735 4.567 1.00 13.44 O ATOM 1459 CB HIS A 102 -0.315 4.350 5.272 1.00 25.43 C ATOM 1460 CG HIS A 102 0.122 4.335 6.721 1.00 45.13 C ATOM 1461 ND1 HIS A 102 -0.376 3.565 7.750 1.00 21.52 N ATOM 1462 CD2 HIS A 102 1.051 5.180 7.259 1.00 34.14 C ATOM 1463 CE1 HIS A 102 0.226 3.961 8.883 1.00 74.11 C ATOM 1464 NE2 HIS A 102 1.125 4.931 8.635 1.00 61.21 N ATOM 0 H HIS A 102 -1.396 6.423 6.707 1.00 45.04 H new ATOM 0 HA HIS A 102 -1.533 5.479 3.907 1.00 52.14 H new ATOM 0 HB2 HIS A 102 -0.577 3.335 4.974 1.00 25.43 H new ATOM 0 HB3 HIS A 102 0.529 4.656 4.654 1.00 25.43 H new ATOM 0 HD2 HIS A 102 1.629 5.914 6.716 1.00 34.14 H new ATOM 0 HE1 HIS A 102 0.017 3.555 9.862 1.00 74.11 H new ATOM 0 HE2 HIS A 102 1.735 5.391 9.311 1.00 61.21 H new ATOM 1471 N PHE A 103 -3.554 5.041 6.368 1.00 54.45 N ATOM 1472 CA PHE A 103 -4.872 4.516 6.751 1.00 63.44 C ATOM 1473 C PHE A 103 -4.925 2.980 6.833 1.00 11.44 C ATOM 1474 O PHE A 103 -5.955 2.354 6.590 1.00 25.12 O ATOM 1475 CB PHE A 103 -5.951 5.147 5.860 1.00 4.11 C ATOM 1476 CG PHE A 103 -6.280 6.558 6.283 1.00 30.23 C ATOM 1477 CD1 PHE A 103 -7.093 6.769 7.414 1.00 23.30 C ATOM 1478 CD2 PHE A 103 -5.768 7.656 5.564 1.00 64.21 C ATOM 1479 CE1 PHE A 103 -7.391 8.077 7.831 1.00 43.02 C ATOM 1480 CE2 PHE A 103 -6.099 8.960 5.964 1.00 64.23 C ATOM 1481 CZ PHE A 103 -6.891 9.169 7.107 1.00 33.14 C ATOM 0 H PHE A 103 -3.217 5.770 6.996 1.00 54.45 H new ATOM 0 HA PHE A 103 -5.080 4.815 7.778 1.00 63.44 H new ATOM 0 HB2 PHE A 103 -5.610 5.149 4.825 1.00 4.11 H new ATOM 0 HB3 PHE A 103 -6.854 4.538 5.897 1.00 4.11 H new ATOM 0 HD1 PHE A 103 -7.487 5.925 7.961 1.00 23.30 H new ATOM 0 HD2 PHE A 103 -5.125 7.495 4.711 1.00 64.21 H new ATOM 0 HE1 PHE A 103 -8.003 8.241 8.706 1.00 43.02 H new ATOM 0 HE2 PHE A 103 -5.745 9.805 5.392 1.00 64.23 H new ATOM 0 HZ PHE A 103 -7.115 10.175 7.429 1.00 33.14 H new ATOM 1490 N LEU A 104 -3.820 2.367 7.247 1.00 22.13 N ATOM 1491 CA LEU A 104 -3.696 0.930 7.457 1.00 53.33 C ATOM 1492 C LEU A 104 -4.021 0.660 8.919 1.00 32.20 C ATOM 1493 O LEU A 104 -3.486 1.348 9.788 1.00 52.13 O ATOM 1494 CB LEU A 104 -2.264 0.487 7.134 1.00 10.41 C ATOM 1495 CG LEU A 104 -1.861 0.719 5.671 1.00 33.34 C ATOM 1496 CD1 LEU A 104 -0.348 0.544 5.515 1.00 2.33 C ATOM 1497 CD2 LEU A 104 -2.670 -0.182 4.741 1.00 42.05 C ATOM 0 H LEU A 104 -2.959 2.874 7.452 1.00 22.13 H new ATOM 0 HA LEU A 104 -4.375 0.375 6.810 1.00 53.33 H new ATOM 0 HB2 LEU A 104 -1.572 1.025 7.782 1.00 10.41 H new ATOM 0 HB3 LEU A 104 -2.160 -0.573 7.367 1.00 10.41 H new ATOM 0 HG LEU A 104 -2.095 1.743 5.381 1.00 33.34 H new ATOM 0 HD11 LEU A 104 -0.068 0.710 4.475 1.00 2.33 H new ATOM 0 HD12 LEU A 104 0.169 1.264 6.149 1.00 2.33 H new ATOM 0 HD13 LEU A 104 -0.066 -0.467 5.810 1.00 2.33 H new ATOM 0 HD21 LEU A 104 -2.370 -0.003 3.709 1.00 42.05 H new ATOM 0 HD22 LEU A 104 -2.487 -1.226 4.996 1.00 42.05 H new ATOM 0 HD23 LEU A 104 -3.732 0.038 4.854 1.00 42.05 H new ATOM 1508 N THR A 105 -4.911 -0.286 9.219 1.00 64.41 N ATOM 1509 CA THR A 105 -5.231 -0.633 10.608 1.00 11.12 C ATOM 1510 C THR A 105 -4.172 -1.555 11.245 1.00 2.02 C ATOM 1511 O THR A 105 -4.338 -1.972 12.389 1.00 21.44 O ATOM 1512 CB THR A 105 -6.659 -1.212 10.695 1.00 61.15 C ATOM 1513 OG1 THR A 105 -7.006 -1.335 12.060 1.00 24.41 O ATOM 1514 CG2 THR A 105 -6.818 -2.576 10.015 1.00 11.02 C ATOM 0 H THR A 105 -5.424 -0.826 8.522 1.00 64.41 H new ATOM 0 HA THR A 105 -5.206 0.281 11.201 1.00 11.12 H new ATOM 0 HB THR A 105 -7.317 -0.524 10.163 1.00 61.15 H new ATOM 0 HG1 THR A 105 -6.221 -1.618 12.573 1.00 24.41 H new ATOM 0 HG21 THR A 105 -7.848 -2.916 10.119 1.00 11.02 H new ATOM 0 HG22 THR A 105 -6.570 -2.486 8.957 1.00 11.02 H new ATOM 0 HG23 THR A 105 -6.149 -3.297 10.485 1.00 11.02 H new ATOM 1522 N GLU A 106 -3.131 -1.938 10.515 1.00 70.33 N ATOM 1523 CA GLU A 106 -2.137 -2.953 10.862 1.00 51.23 C ATOM 1524 C GLU A 106 -0.851 -2.312 11.400 1.00 2.24 C ATOM 1525 O GLU A 106 -0.681 -1.101 11.233 1.00 63.45 O ATOM 1526 CB GLU A 106 -1.860 -3.709 9.565 1.00 65.35 C ATOM 1527 CG GLU A 106 -3.059 -4.573 9.167 1.00 1.03 C ATOM 1528 CD GLU A 106 -3.036 -4.824 7.672 1.00 1.42 C ATOM 1529 OE1 GLU A 106 -3.559 -3.963 6.933 1.00 65.22 O ATOM 1530 OE2 GLU A 106 -2.474 -5.853 7.233 1.00 25.14 O ATOM 0 H GLU A 106 -2.944 -1.521 9.603 1.00 70.33 H new ATOM 0 HA GLU A 106 -2.501 -3.613 11.650 1.00 51.23 H new ATOM 0 HB2 GLU A 106 -1.637 -3.000 8.767 1.00 65.35 H new ATOM 0 HB3 GLU A 106 -0.979 -4.338 9.688 1.00 65.35 H new ATOM 0 HG2 GLU A 106 -3.031 -5.521 9.705 1.00 1.03 H new ATOM 0 HG3 GLU A 106 -3.987 -4.075 9.447 1.00 1.03 H new ATOM 1535 N PRO A 107 0.065 -3.069 12.030 1.00 61.14 N ATOM 1536 CA PRO A 107 1.402 -2.575 12.344 1.00 14.04 C ATOM 1537 C PRO A 107 2.229 -2.395 11.064 1.00 44.21 C ATOM 1538 O PRO A 107 1.857 -2.876 9.985 1.00 3.33 O ATOM 1539 CB PRO A 107 2.011 -3.641 13.254 1.00 13.03 C ATOM 1540 CG PRO A 107 1.383 -4.928 12.725 1.00 73.32 C ATOM 1541 CD PRO A 107 -0.038 -4.478 12.390 1.00 63.40 C ATOM 0 HA PRO A 107 1.379 -1.598 12.827 1.00 14.04 H new ATOM 0 HB2 PRO A 107 3.098 -3.662 13.183 1.00 13.03 H new ATOM 0 HB3 PRO A 107 1.763 -3.470 14.302 1.00 13.03 H new ATOM 0 HG2 PRO A 107 1.908 -5.307 11.848 1.00 73.32 H new ATOM 0 HG3 PRO A 107 1.393 -5.723 13.471 1.00 73.32 H new ATOM 0 HD2 PRO A 107 -0.449 -5.063 11.567 1.00 63.40 H new ATOM 0 HD3 PRO A 107 -0.703 -4.616 13.243 1.00 63.40 H new ATOM 1546 N VAL A 108 3.370 -1.716 11.185 1.00 4.03 N ATOM 1547 CA VAL A 108 4.237 -1.386 10.061 1.00 21.21 C ATOM 1548 C VAL A 108 5.675 -1.653 10.501 1.00 42.00 C ATOM 1549 O VAL A 108 6.102 -1.170 11.548 1.00 51.23 O ATOM 1550 CB VAL A 108 4.001 0.070 9.600 1.00 32.52 C ATOM 1551 CG1 VAL A 108 4.672 0.367 8.258 1.00 22.45 C ATOM 1552 CG2 VAL A 108 2.510 0.396 9.428 1.00 14.22 C ATOM 0 H VAL A 108 3.720 -1.376 12.081 1.00 4.03 H new ATOM 0 HA VAL A 108 4.015 -2.004 9.191 1.00 21.21 H new ATOM 0 HB VAL A 108 4.435 0.683 10.390 1.00 32.52 H new ATOM 0 HG11 VAL A 108 4.478 1.402 7.975 1.00 22.45 H new ATOM 0 HG12 VAL A 108 5.747 0.210 8.346 1.00 22.45 H new ATOM 0 HG13 VAL A 108 4.270 -0.299 7.495 1.00 22.45 H new ATOM 0 HG21 VAL A 108 2.399 1.431 9.103 1.00 14.22 H new ATOM 0 HG22 VAL A 108 2.076 -0.268 8.680 1.00 14.22 H new ATOM 0 HG23 VAL A 108 1.995 0.257 10.379 1.00 14.22 H new ATOM 1562 N GLU A 109 6.385 -2.475 9.735 1.00 3.21 N ATOM 1563 CA GLU A 109 7.820 -2.702 9.855 1.00 42.12 C ATOM 1564 C GLU A 109 8.599 -1.434 9.482 1.00 30.52 C ATOM 1565 O GLU A 109 8.028 -0.395 9.135 1.00 42.14 O ATOM 1566 CB GLU A 109 8.198 -3.896 8.953 1.00 11.44 C ATOM 1567 CG GLU A 109 8.362 -5.203 9.719 1.00 74.12 C ATOM 1568 CD GLU A 109 9.712 -5.354 10.426 1.00 64.31 C ATOM 1569 OE1 GLU A 109 10.434 -4.361 10.634 1.00 71.32 O ATOM 1570 OE2 GLU A 109 10.014 -6.524 10.778 1.00 74.52 O ATOM 0 H GLU A 109 5.960 -3.022 8.986 1.00 3.21 H new ATOM 0 HA GLU A 109 8.083 -2.938 10.886 1.00 42.12 H new ATOM 0 HB2 GLU A 109 7.429 -4.024 8.191 1.00 11.44 H new ATOM 0 HB3 GLU A 109 9.128 -3.669 8.433 1.00 11.44 H new ATOM 0 HG2 GLU A 109 7.566 -5.278 10.460 1.00 74.12 H new ATOM 0 HG3 GLU A 109 8.233 -6.035 9.027 1.00 74.12 H new ATOM 1575 N SER A 110 9.917 -1.505 9.609 1.00 70.44 N ATOM 1576 CA SER A 110 10.812 -0.376 9.471 1.00 65.40 C ATOM 1577 C SER A 110 12.129 -0.892 8.899 1.00 5.15 C ATOM 1578 O SER A 110 12.133 -1.828 8.064 1.00 74.10 O ATOM 1579 CB SER A 110 10.929 0.259 10.860 1.00 3.15 C ATOM 1580 OG SER A 110 11.669 1.466 10.825 1.00 64.24 O ATOM 0 H SER A 110 10.402 -2.378 9.817 1.00 70.44 H new ATOM 0 HA SER A 110 10.460 0.394 8.784 1.00 65.40 H new ATOM 0 HB2 SER A 110 9.932 0.455 11.255 1.00 3.15 H new ATOM 0 HB3 SER A 110 11.410 -0.443 11.541 1.00 3.15 H new ATOM 0 HG SER A 110 11.722 1.844 11.728 1.00 64.24 H new TER 1585 SER A 110