USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 27 MET CE :methyl -178:sc= -0.633 (180deg=-0.467) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 147:sc= -0.437 (180deg=-0.907) USER MOD Set 1.3: B 31 LYS NZ :NH3+ 171:sc= -2.71 (180deg=-2.27!) USER MOD Single : A 5 LYS NZ :NH3+ 168:sc=-0.00464 (180deg=-0.219) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 76:sc= 0.396 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.583 USER MOD Single : A 29 TYR OH : rot -51:sc= 0.381 USER MOD Single : A 31 LYS NZ :NH3+ -161:sc= -1.47 (180deg=-1.79!) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -3.65! (180deg=-4.93!) USER MOD Single : B 6 LYS NZ :NH3+ -118:sc= -0.927 (180deg=-1.93!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -170:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 135:sc= -0.81 (180deg=-1.05) USER MOD Single : B 15 SER OG : rot 73:sc= 0.113 USER MOD Single : B 16 MET CE :methyl 166:sc= -0.0725 (180deg=-0.364) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 164:sc= -0.052 (180deg=-0.392) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 1.156 -12.906 1.540 1.00 0.00 N ATOM 27 CA ILE A 3 -0.203 -12.483 1.928 1.00 0.00 C ATOM 28 C ILE A 3 -1.231 -13.205 1.038 1.00 0.00 C ATOM 29 O ILE A 3 -1.111 -13.221 -0.188 1.00 0.00 O ATOM 30 CB ILE A 3 -0.338 -10.945 1.758 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.671 -10.178 2.651 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.787 -10.474 2.023 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.618 -8.643 2.497 1.00 0.00 C ATOM 0 HA ILE A 3 -0.386 -12.740 2.971 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.097 -10.714 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.482 -10.433 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.679 -10.520 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.847 -9.393 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.462 -10.960 1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.074 -10.736 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.355 -8.185 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.838 -8.373 1.464 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.377 -8.285 2.761 1.00 0.00 H new ATOM 45 N PRO A 4 -2.269 -13.824 1.623 1.00 0.00 N ATOM 46 CA PRO A 4 -3.311 -14.542 0.869 1.00 0.00 C ATOM 47 C PRO A 4 -4.357 -13.602 0.252 1.00 0.00 C ATOM 48 O PRO A 4 -4.460 -12.412 0.548 1.00 0.00 O ATOM 49 CB PRO A 4 -3.946 -15.438 1.944 1.00 0.00 C ATOM 50 CG PRO A 4 -3.876 -14.568 3.188 1.00 0.00 C ATOM 51 CD PRO A 4 -2.494 -13.906 3.076 1.00 0.00 C ATOM 0 HA PRO A 4 -2.904 -15.086 0.017 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -4.973 -15.705 1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.396 -16.371 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.676 -13.828 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.966 -15.160 4.099 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.483 -12.920 3.540 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.724 -14.499 3.569 1.00 0.00 H new ATOM 59 N LYS A 5 -5.183 -14.211 -0.606 1.00 0.00 N ATOM 60 CA LYS A 5 -6.188 -13.487 -1.410 1.00 0.00 C ATOM 61 C LYS A 5 -7.068 -12.552 -0.572 1.00 0.00 C ATOM 62 O LYS A 5 -7.130 -11.341 -0.782 1.00 0.00 O ATOM 63 CB LYS A 5 -7.081 -14.532 -2.120 1.00 0.00 C ATOM 64 CG LYS A 5 -8.184 -13.904 -3.000 1.00 0.00 C ATOM 65 CD LYS A 5 -9.157 -14.950 -3.590 1.00 0.00 C ATOM 66 CE LYS A 5 -9.951 -15.721 -2.513 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.712 -14.778 -1.679 1.00 0.00 N ATOM 0 H LYS A 5 -5.178 -15.218 -0.766 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.656 -12.859 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.454 -15.173 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.546 -15.171 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.749 -13.185 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.719 -13.349 -3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.857 -14.449 -4.258 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.593 -15.661 -4.194 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.630 -16.430 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.269 -16.301 -1.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.394 -15.303 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.059 -14.255 -1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.222 -14.108 -2.290 1.00 0.00 H new ATOM 81 N LYS A 6 -7.739 -13.149 0.419 1.00 0.00 N ATOM 82 CA LYS A 6 -8.727 -12.439 1.256 1.00 0.00 C ATOM 83 C LYS A 6 -8.230 -11.074 1.749 1.00 0.00 C ATOM 84 O LYS A 6 -8.902 -10.048 1.653 1.00 0.00 O ATOM 85 CB LYS A 6 -9.087 -13.338 2.464 1.00 0.00 C ATOM 86 CG LYS A 6 -10.060 -12.726 3.506 1.00 0.00 C ATOM 87 CD LYS A 6 -11.533 -12.562 3.053 1.00 0.00 C ATOM 88 CE LYS A 6 -11.787 -11.455 2.008 1.00 0.00 C ATOM 89 NZ LYS A 6 -13.235 -11.311 1.797 1.00 0.00 N ATOM 0 H LYS A 6 -7.618 -14.131 0.667 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.604 -12.241 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.526 -14.261 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.164 -13.611 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.044 -13.351 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.680 -11.747 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.876 -13.511 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.144 -12.355 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.362 -10.511 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.294 -11.705 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.411 -10.566 1.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.627 -12.211 1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.693 -11.054 2.695 1.00 0.00 H new ATOM 103 N ILE A 7 -7.003 -11.082 2.279 1.00 0.00 N ATOM 104 CA ILE A 7 -6.367 -9.861 2.813 1.00 0.00 C ATOM 105 C ILE A 7 -6.343 -8.724 1.781 1.00 0.00 C ATOM 106 O ILE A 7 -6.703 -7.583 2.061 1.00 0.00 O ATOM 107 CB ILE A 7 -4.925 -10.183 3.285 1.00 0.00 C ATOM 108 CG1 ILE A 7 -4.897 -11.295 4.365 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.171 -8.920 3.770 1.00 0.00 C ATOM 110 CD1 ILE A 7 -5.598 -10.919 5.685 1.00 0.00 C ATOM 0 H ILE A 7 -6.425 -11.919 2.352 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.964 -9.520 3.659 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.398 -10.562 2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.369 -12.190 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.859 -11.551 4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.166 -9.196 4.090 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.107 -8.199 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.709 -8.474 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.531 -11.753 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.113 -10.044 6.118 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.646 -10.693 5.489 1.00 0.00 H new ATOM 122 N TRP A 8 -5.908 -9.051 0.558 1.00 0.00 N ATOM 123 CA TRP A 8 -5.807 -8.050 -0.526 1.00 0.00 C ATOM 124 C TRP A 8 -7.133 -7.338 -0.831 1.00 0.00 C ATOM 125 O TRP A 8 -7.211 -6.117 -0.966 1.00 0.00 O ATOM 126 CB TRP A 8 -5.251 -8.682 -1.817 1.00 0.00 C ATOM 127 CG TRP A 8 -3.810 -9.129 -1.572 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.347 -10.446 -1.427 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.677 -8.311 -1.416 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.007 -10.467 -1.192 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.576 -9.172 -1.180 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.490 -6.928 -1.469 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.306 -8.616 -0.999 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.215 -6.391 -1.290 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.126 -7.232 -1.055 1.00 0.00 C ATOM 0 H TRP A 8 -5.621 -9.992 0.289 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.114 -7.294 -0.158 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.864 -9.533 -2.114 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.288 -7.962 -2.635 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.971 -11.325 -1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.431 -11.297 -1.051 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.331 -6.275 -1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.541 -9.260 -0.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.070 -5.322 -1.333 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.859 -6.811 -0.916 1.00 0.00 H new ATOM 146 N GLU A 9 -8.196 -8.135 -0.964 1.00 0.00 N ATOM 147 CA GLU A 9 -9.547 -7.586 -1.191 1.00 0.00 C ATOM 148 C GLU A 9 -10.046 -6.696 -0.042 1.00 0.00 C ATOM 149 O GLU A 9 -10.731 -5.690 -0.234 1.00 0.00 O ATOM 150 CB GLU A 9 -10.548 -8.721 -1.500 1.00 0.00 C ATOM 151 CG GLU A 9 -10.516 -9.136 -2.993 1.00 0.00 C ATOM 152 CD GLU A 9 -9.108 -9.575 -3.421 1.00 0.00 C ATOM 153 OE1 GLU A 9 -8.683 -10.656 -3.022 1.00 0.00 O ATOM 154 OE2 GLU A 9 -8.447 -8.828 -4.140 1.00 0.00 O ATOM 0 H GLU A 9 -8.155 -9.153 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.476 -6.932 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.317 -9.586 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.555 -8.398 -1.235 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.220 -9.951 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.842 -8.300 -3.612 1.00 0.00 H new ATOM 161 N THR A 10 -9.704 -7.092 1.186 1.00 0.00 N ATOM 162 CA THR A 10 -10.066 -6.302 2.381 1.00 0.00 C ATOM 163 C THR A 10 -9.398 -4.917 2.370 1.00 0.00 C ATOM 164 O THR A 10 -10.018 -3.868 2.550 1.00 0.00 O ATOM 165 CB THR A 10 -9.666 -7.079 3.660 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.355 -8.334 3.685 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.000 -6.311 4.957 1.00 0.00 C ATOM 0 H THR A 10 -9.182 -7.945 1.386 1.00 0.00 H new ATOM 0 HA THR A 10 -11.145 -6.146 2.370 1.00 0.00 H new ATOM 0 HB THR A 10 -8.585 -7.218 3.624 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.929 -8.954 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.697 -6.905 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.466 -5.361 4.965 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.073 -6.125 5.003 1.00 0.00 H new ATOM 175 N VAL A 11 -8.079 -4.936 2.152 1.00 0.00 N ATOM 176 CA VAL A 11 -7.258 -3.711 2.151 1.00 0.00 C ATOM 177 C VAL A 11 -7.473 -2.827 0.909 1.00 0.00 C ATOM 178 O VAL A 11 -7.169 -1.636 0.914 1.00 0.00 O ATOM 179 CB VAL A 11 -5.752 -4.064 2.289 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.470 -4.862 3.581 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.172 -4.781 1.054 1.00 0.00 C ATOM 0 H VAL A 11 -7.550 -5.790 1.972 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.586 -3.130 3.013 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.232 -3.109 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.406 -5.091 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.764 -4.269 4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.040 -5.791 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.117 -4.997 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.711 -5.714 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.277 -4.140 0.178 1.00 0.00 H new ATOM 191 N CYS A 12 -8.010 -3.436 -0.160 1.00 0.00 N ATOM 192 CA CYS A 12 -8.186 -2.787 -1.482 1.00 0.00 C ATOM 193 C CYS A 12 -8.456 -1.269 -1.463 1.00 0.00 C ATOM 194 O CYS A 12 -7.681 -0.509 -2.038 1.00 0.00 O ATOM 195 CB CYS A 12 -9.328 -3.473 -2.265 1.00 0.00 C ATOM 196 SG CYS A 12 -8.809 -4.844 -3.327 1.00 0.00 S ATOM 0 H CYS A 12 -8.339 -4.401 -0.137 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.217 -2.912 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.065 -3.843 -1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.827 -2.725 -2.881 1.00 0.00 H new ATOM 201 N PRO A 13 -9.526 -0.778 -0.820 1.00 0.00 N ATOM 202 CA PRO A 13 -9.871 0.658 -0.806 1.00 0.00 C ATOM 203 C PRO A 13 -8.800 1.533 -0.139 1.00 0.00 C ATOM 204 O PRO A 13 -8.413 2.599 -0.617 1.00 0.00 O ATOM 205 CB PRO A 13 -11.204 0.708 -0.038 1.00 0.00 C ATOM 206 CG PRO A 13 -11.146 -0.518 0.862 1.00 0.00 C ATOM 207 CD PRO A 13 -10.492 -1.570 -0.041 1.00 0.00 C ATOM 0 HA PRO A 13 -9.942 1.062 -1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.298 1.626 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.058 0.669 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.557 -0.333 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.139 -0.827 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.000 -2.351 0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.223 -2.062 -0.683 1.00 0.00 H new ATOM 215 N THR A 14 -8.322 1.047 1.010 1.00 0.00 N ATOM 216 CA THR A 14 -7.287 1.749 1.798 1.00 0.00 C ATOM 217 C THR A 14 -5.997 1.966 0.987 1.00 0.00 C ATOM 218 O THR A 14 -5.449 3.064 0.879 1.00 0.00 O ATOM 219 CB THR A 14 -6.988 0.918 3.073 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.201 0.718 3.807 1.00 0.00 O ATOM 221 CG2 THR A 14 -5.958 1.594 4.001 1.00 0.00 C ATOM 0 H THR A 14 -8.632 0.167 1.422 1.00 0.00 H new ATOM 0 HA THR A 14 -7.662 2.736 2.068 1.00 0.00 H new ATOM 0 HB THR A 14 -6.565 -0.030 2.741 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.013 0.191 4.612 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.789 0.966 4.876 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.019 1.729 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.337 2.565 4.319 1.00 0.00 H new ATOM 229 N VAL A 15 -5.511 0.865 0.408 1.00 0.00 N ATOM 230 CA VAL A 15 -4.268 0.862 -0.390 1.00 0.00 C ATOM 231 C VAL A 15 -4.405 1.572 -1.750 1.00 0.00 C ATOM 232 O VAL A 15 -3.457 2.135 -2.295 1.00 0.00 O ATOM 233 CB VAL A 15 -3.759 -0.590 -0.589 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.501 -1.284 0.768 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.685 -1.453 -1.472 1.00 0.00 C ATOM 0 H VAL A 15 -5.960 -0.048 0.475 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.538 1.435 0.181 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.815 -0.500 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.145 -2.300 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.748 -0.726 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.427 -1.317 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.267 -2.455 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.672 -1.514 -1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.771 -1.000 -2.460 1.00 0.00 H new ATOM 245 N GLU A 16 -5.629 1.539 -2.289 1.00 0.00 N ATOM 246 CA GLU A 16 -5.937 2.027 -3.651 1.00 0.00 C ATOM 247 C GLU A 16 -5.284 3.374 -4.020 1.00 0.00 C ATOM 248 O GLU A 16 -4.556 3.449 -5.011 1.00 0.00 O ATOM 249 CB GLU A 16 -7.471 2.124 -3.817 1.00 0.00 C ATOM 250 CG GLU A 16 -7.923 2.635 -5.203 1.00 0.00 C ATOM 251 CD GLU A 16 -9.456 2.722 -5.249 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.113 1.684 -5.166 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.978 3.830 -5.361 1.00 0.00 O ATOM 0 H GLU A 16 -6.443 1.172 -1.795 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.505 1.300 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.908 1.140 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.868 2.788 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.488 3.615 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.564 1.964 -5.983 1.00 0.00 H new ATOM 260 N PRO A 17 -5.504 4.462 -3.264 1.00 0.00 N ATOM 261 CA PRO A 17 -4.971 5.798 -3.597 1.00 0.00 C ATOM 262 C PRO A 17 -3.440 5.845 -3.659 1.00 0.00 C ATOM 263 O PRO A 17 -2.828 6.439 -4.547 1.00 0.00 O ATOM 264 CB PRO A 17 -5.511 6.705 -2.476 1.00 0.00 C ATOM 265 CG PRO A 17 -5.715 5.749 -1.311 1.00 0.00 C ATOM 266 CD PRO A 17 -6.265 4.498 -2.004 1.00 0.00 C ATOM 0 HA PRO A 17 -5.284 6.109 -4.594 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.805 7.497 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.444 7.189 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.782 5.545 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.415 6.147 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.102 3.600 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.338 4.573 -2.181 1.00 0.00 H new ATOM 274 N TRP A 18 -2.816 5.197 -2.671 1.00 0.00 N ATOM 275 CA TRP A 18 -1.347 5.207 -2.555 1.00 0.00 C ATOM 276 C TRP A 18 -0.676 4.444 -3.703 1.00 0.00 C ATOM 277 O TRP A 18 0.140 4.965 -4.457 1.00 0.00 O ATOM 278 CB TRP A 18 -0.899 4.602 -1.208 1.00 0.00 C ATOM 279 CG TRP A 18 -1.639 5.266 -0.042 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.848 6.640 0.159 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.213 4.630 1.071 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.517 6.863 1.323 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.747 5.650 1.902 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.297 3.293 1.461 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.363 5.295 3.104 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.910 2.955 2.668 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.443 3.953 3.487 1.00 0.00 C ATOM 0 H TRP A 18 -3.295 4.663 -1.945 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.034 6.250 -2.608 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.092 3.529 -1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.176 4.733 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.522 7.415 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.795 7.771 1.694 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.887 2.519 0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.780 6.061 3.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.972 1.920 2.970 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.919 3.687 4.419 1.00 0.00 H new ATOM 298 N ALA A 19 -1.057 3.166 -3.823 1.00 0.00 N ATOM 299 CA ALA A 19 -0.532 2.268 -4.873 1.00 0.00 C ATOM 300 C ALA A 19 -0.638 2.877 -6.277 1.00 0.00 C ATOM 301 O ALA A 19 0.271 2.812 -7.106 1.00 0.00 O ATOM 302 CB ALA A 19 -1.310 0.938 -4.826 1.00 0.00 C ATOM 0 H ALA A 19 -1.733 2.722 -3.202 1.00 0.00 H new ATOM 0 HA ALA A 19 0.527 2.106 -4.674 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.931 0.267 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.181 0.476 -3.847 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.369 1.129 -5.000 1.00 0.00 H new ATOM 308 N LYS A 20 -1.803 3.476 -6.531 1.00 0.00 N ATOM 309 CA LYS A 20 -2.048 4.219 -7.781 1.00 0.00 C ATOM 310 C LYS A 20 -0.993 5.315 -7.986 1.00 0.00 C ATOM 311 O LYS A 20 -0.313 5.414 -9.007 1.00 0.00 O ATOM 312 CB LYS A 20 -3.460 4.845 -7.707 1.00 0.00 C ATOM 313 CG LYS A 20 -3.836 5.673 -8.955 1.00 0.00 C ATOM 314 CD LYS A 20 -5.237 6.303 -8.832 1.00 0.00 C ATOM 315 CE LYS A 20 -5.609 7.151 -10.066 1.00 0.00 C ATOM 316 NZ LYS A 20 -6.947 7.727 -9.879 1.00 0.00 N ATOM 0 H LYS A 20 -2.596 3.464 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.982 3.536 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.194 4.050 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.519 5.484 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.097 6.460 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.803 5.034 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.977 5.514 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.275 6.928 -7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.876 7.945 -10.209 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.589 6.534 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.198 8.299 -10.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.641 6.962 -9.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.950 8.329 -9.031 1.00 0.00 H new ATOM 330 N LYS A 21 -0.871 6.161 -6.957 1.00 0.00 N ATOM 331 CA LYS A 21 0.122 7.252 -6.945 1.00 0.00 C ATOM 332 C LYS A 21 1.481 6.783 -6.395 1.00 0.00 C ATOM 333 O LYS A 21 2.097 7.362 -5.497 1.00 0.00 O ATOM 334 CB LYS A 21 -0.440 8.405 -6.083 1.00 0.00 C ATOM 335 CG LYS A 21 -1.749 8.999 -6.651 1.00 0.00 C ATOM 336 CD LYS A 21 -2.347 10.103 -5.753 1.00 0.00 C ATOM 337 CE LYS A 21 -1.410 11.316 -5.574 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.049 12.302 -4.691 1.00 0.00 N ATOM 0 H LYS A 21 -1.448 6.114 -6.117 1.00 0.00 H new ATOM 0 HA LYS A 21 0.295 7.588 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.621 8.041 -5.072 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.308 9.194 -6.008 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.556 9.409 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.481 8.201 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.290 10.441 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.576 9.682 -4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.459 10.995 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.192 11.767 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.418 13.120 -4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.946 12.616 -5.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.236 11.869 -3.764 1.00 0.00 H new ATOM 352 N CYS A 22 1.967 5.687 -6.985 1.00 0.00 N ATOM 353 CA CYS A 22 3.257 5.097 -6.584 1.00 0.00 C ATOM 354 C CYS A 22 3.873 4.289 -7.735 1.00 0.00 C ATOM 355 O CYS A 22 3.273 4.035 -8.782 1.00 0.00 O ATOM 356 CB CYS A 22 3.038 4.178 -5.361 1.00 0.00 C ATOM 357 SG CYS A 22 4.594 3.702 -4.579 1.00 0.00 S ATOM 0 H CYS A 22 1.493 5.189 -7.739 1.00 0.00 H new ATOM 0 HA CYS A 22 3.945 5.902 -6.327 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.409 4.689 -4.633 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.501 3.282 -5.673 1.00 0.00 H new ATOM 362 N SER A 23 5.119 3.869 -7.510 1.00 0.00 N ATOM 363 CA SER A 23 5.895 3.119 -8.518 1.00 0.00 C ATOM 364 C SER A 23 6.848 2.104 -7.865 1.00 0.00 C ATOM 365 O SER A 23 6.931 1.929 -6.648 1.00 0.00 O ATOM 366 CB SER A 23 6.709 4.120 -9.372 1.00 0.00 C ATOM 367 OG SER A 23 5.823 4.982 -10.094 1.00 0.00 O ATOM 0 H SER A 23 5.620 4.033 -6.637 1.00 0.00 H new ATOM 0 HA SER A 23 5.197 2.562 -9.143 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.362 4.711 -8.730 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.351 3.579 -10.068 1.00 0.00 H new ATOM 0 HG SER A 23 6.346 5.613 -10.631 1.00 0.00 H new ATOM 373 N GLY A 24 7.589 1.412 -8.733 1.00 0.00 N ATOM 374 CA GLY A 24 8.516 0.350 -8.302 1.00 0.00 C ATOM 375 C GLY A 24 7.839 -1.025 -8.228 1.00 0.00 C ATOM 376 O GLY A 24 6.644 -1.215 -8.453 1.00 0.00 O ATOM 0 H GLY A 24 7.569 1.564 -9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.356 0.301 -8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.925 0.604 -7.324 1.00 0.00 H new ATOM 380 N ASP A 25 8.671 -2.008 -7.882 1.00 0.00 N ATOM 381 CA ASP A 25 8.258 -3.426 -7.838 1.00 0.00 C ATOM 382 C ASP A 25 7.106 -3.683 -6.860 1.00 0.00 C ATOM 383 O ASP A 25 6.117 -4.352 -7.155 1.00 0.00 O ATOM 384 CB ASP A 25 9.465 -4.311 -7.443 1.00 0.00 C ATOM 385 CG ASP A 25 10.566 -4.253 -8.513 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.221 -3.218 -8.641 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.756 -5.248 -9.212 1.00 0.00 O ATOM 0 H ASP A 25 9.646 -1.854 -7.624 1.00 0.00 H new ATOM 0 HA ASP A 25 7.902 -3.681 -8.836 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.866 -3.978 -6.486 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.136 -5.342 -7.310 1.00 0.00 H new ATOM 392 N ILE A 26 7.263 -3.135 -5.652 1.00 0.00 N ATOM 393 CA ILE A 26 6.274 -3.324 -4.574 1.00 0.00 C ATOM 394 C ILE A 26 4.904 -2.741 -4.951 1.00 0.00 C ATOM 395 O ILE A 26 3.852 -3.352 -4.768 1.00 0.00 O ATOM 396 CB ILE A 26 6.775 -2.667 -3.266 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.223 -3.079 -2.899 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.808 -2.971 -2.099 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.407 -4.594 -2.671 1.00 0.00 C ATOM 0 H ILE A 26 8.062 -2.557 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 26 6.156 -4.397 -4.423 1.00 0.00 H new ATOM 0 HB ILE A 26 6.793 -1.592 -3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.894 -2.758 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.523 -2.547 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.178 -2.500 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.819 -2.578 -2.334 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.745 -4.049 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.447 -4.800 -2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.764 -4.920 -1.854 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.140 -5.134 -3.580 1.00 0.00 H new ATOM 411 N ALA A 27 4.934 -1.511 -5.477 1.00 0.00 N ATOM 412 CA ALA A 27 3.706 -0.836 -5.945 1.00 0.00 C ATOM 413 C ALA A 27 2.935 -1.692 -6.960 1.00 0.00 C ATOM 414 O ALA A 27 1.719 -1.874 -6.895 1.00 0.00 O ATOM 415 CB ALA A 27 4.074 0.516 -6.591 1.00 0.00 C ATOM 0 H ALA A 27 5.786 -0.962 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 27 3.062 -0.679 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.167 1.013 -6.936 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.576 1.146 -5.856 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.739 0.346 -7.438 1.00 0.00 H new ATOM 421 N THR A 28 3.692 -2.230 -7.918 1.00 0.00 N ATOM 422 CA THR A 28 3.142 -3.117 -8.963 1.00 0.00 C ATOM 423 C THR A 28 2.472 -4.364 -8.363 1.00 0.00 C ATOM 424 O THR A 28 1.387 -4.789 -8.761 1.00 0.00 O ATOM 425 CB THR A 28 4.279 -3.536 -9.927 1.00 0.00 C ATOM 426 OG1 THR A 28 4.859 -2.366 -10.509 1.00 0.00 O ATOM 427 CG2 THR A 28 3.797 -4.463 -11.066 1.00 0.00 C ATOM 0 H THR A 28 4.696 -2.069 -7.998 1.00 0.00 H new ATOM 0 HA THR A 28 2.374 -2.567 -9.507 1.00 0.00 H new ATOM 0 HB THR A 28 5.006 -4.092 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.450 -1.935 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.640 -4.721 -11.707 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.373 -5.373 -10.640 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.037 -3.950 -11.655 1.00 0.00 H new ATOM 435 N TYR A 29 3.160 -4.963 -7.388 1.00 0.00 N ATOM 436 CA TYR A 29 2.667 -6.178 -6.710 1.00 0.00 C ATOM 437 C TYR A 29 1.302 -5.954 -6.045 1.00 0.00 C ATOM 438 O TYR A 29 0.319 -6.641 -6.309 1.00 0.00 O ATOM 439 CB TYR A 29 3.700 -6.646 -5.659 1.00 0.00 C ATOM 440 CG TYR A 29 3.199 -7.786 -4.796 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.818 -8.998 -5.379 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.100 -7.617 -3.412 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.332 -10.035 -4.579 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.616 -8.656 -2.613 1.00 0.00 C ATOM 445 CZ TYR A 29 2.229 -9.863 -3.197 1.00 0.00 C ATOM 446 OH TYR A 29 1.736 -10.884 -2.408 1.00 0.00 O ATOM 0 H TYR A 29 4.062 -4.631 -7.046 1.00 0.00 H new ATOM 0 HA TYR A 29 2.536 -6.950 -7.468 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.611 -6.958 -6.169 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.965 -5.804 -5.019 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.899 -9.133 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.398 -6.683 -2.960 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.036 -10.971 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.541 -8.525 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 29 0.884 -11.199 -2.775 1.00 0.00 H new ATOM 456 N ILE A 30 1.262 -4.957 -5.158 1.00 0.00 N ATOM 457 CA ILE A 30 0.029 -4.581 -4.438 1.00 0.00 C ATOM 458 C ILE A 30 -1.143 -4.335 -5.405 1.00 0.00 C ATOM 459 O ILE A 30 -2.272 -4.790 -5.222 1.00 0.00 O ATOM 460 CB ILE A 30 0.325 -3.308 -3.597 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.392 -3.601 -2.514 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.959 -2.708 -2.969 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.932 -2.328 -1.835 1.00 0.00 C ATOM 0 H ILE A 30 2.073 -4.388 -4.915 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.270 -5.402 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 30 0.724 -2.557 -4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.961 -4.255 -1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.222 -4.143 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.701 -1.821 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.658 -2.435 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.422 -3.446 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.676 -2.602 -1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.392 -1.683 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.111 -1.797 -1.353 1.00 0.00 H new ATOM 475 N LYS A 31 -0.831 -3.587 -6.467 1.00 0.00 N ATOM 476 CA LYS A 31 -1.809 -3.245 -7.517 1.00 0.00 C ATOM 477 C LYS A 31 -2.430 -4.504 -8.150 1.00 0.00 C ATOM 478 O LYS A 31 -3.627 -4.603 -8.411 1.00 0.00 O ATOM 479 CB LYS A 31 -1.087 -2.422 -8.610 1.00 0.00 C ATOM 480 CG LYS A 31 -2.033 -1.672 -9.574 1.00 0.00 C ATOM 481 CD LYS A 31 -2.444 -0.262 -9.081 1.00 0.00 C ATOM 482 CE LYS A 31 -3.177 -0.239 -7.723 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.532 1.147 -7.385 1.00 0.00 N ATOM 0 H LYS A 31 0.099 -3.201 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.617 -2.669 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.431 -1.698 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.452 -3.091 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.547 -1.579 -10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.932 -2.270 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.549 0.356 -9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.086 0.197 -9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.075 -0.855 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.541 -0.663 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.724 1.217 -6.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.743 1.778 -7.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.380 1.428 -7.917 1.00 0.00 H new ATOM 497 N ARG A 32 -1.559 -5.484 -8.413 1.00 0.00 N ATOM 498 CA ARG A 32 -1.970 -6.774 -9.000 1.00 0.00 C ATOM 499 C ARG A 32 -2.881 -7.581 -8.061 1.00 0.00 C ATOM 500 O ARG A 32 -3.943 -8.084 -8.427 1.00 0.00 O ATOM 501 CB ARG A 32 -0.705 -7.602 -9.327 1.00 0.00 C ATOM 502 CG ARG A 32 -1.029 -8.978 -9.945 1.00 0.00 C ATOM 503 CD ARG A 32 0.228 -9.834 -10.184 1.00 0.00 C ATOM 504 NE ARG A 32 -0.171 -11.132 -10.755 1.00 0.00 N ATOM 505 CZ ARG A 32 0.698 -12.134 -10.905 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.973 -12.004 -10.545 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.278 -13.283 -11.421 1.00 0.00 N ATOM 0 H ARG A 32 -0.558 -5.412 -8.229 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.541 -6.563 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.077 -7.039 -10.017 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.126 -7.747 -8.415 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.710 -9.516 -9.286 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.550 -8.833 -10.891 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.910 -9.319 -10.861 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.764 -9.985 -9.247 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.140 -11.269 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.303 -11.125 -10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.620 -12.783 -10.669 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.698 -13.392 -11.697 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.931 -14.057 -11.541 1.00 0.00 H new ATOM 521 N GLU A 33 -2.434 -7.710 -6.811 1.00 0.00 N ATOM 522 CA GLU A 33 -3.122 -8.558 -5.821 1.00 0.00 C ATOM 523 C GLU A 33 -4.575 -8.127 -5.570 1.00 0.00 C ATOM 524 O GLU A 33 -5.518 -8.916 -5.625 1.00 0.00 O ATOM 525 CB GLU A 33 -2.337 -8.540 -4.497 1.00 0.00 C ATOM 526 CG GLU A 33 -0.903 -9.116 -4.571 1.00 0.00 C ATOM 527 CD GLU A 33 -0.935 -10.621 -4.864 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.088 -10.997 -6.027 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.815 -11.405 -3.923 1.00 0.00 O ATOM 0 H GLU A 33 -1.601 -7.241 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.158 -9.568 -6.230 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.280 -7.511 -4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.899 -9.104 -3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.339 -8.601 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.385 -8.935 -3.629 1.00 0.00 H new ATOM 536 N CYS A 34 -4.745 -6.838 -5.265 1.00 0.00 N ATOM 537 CA CYS A 34 -6.095 -6.258 -5.120 1.00 0.00 C ATOM 538 C CYS A 34 -6.844 -6.215 -6.463 1.00 0.00 C ATOM 539 O CYS A 34 -7.897 -6.816 -6.666 1.00 0.00 O ATOM 540 CB CYS A 34 -5.998 -4.826 -4.541 1.00 0.00 C ATOM 541 SG CYS A 34 -7.587 -3.964 -4.672 1.00 0.00 S ATOM 0 H CYS A 34 -3.981 -6.179 -5.114 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.655 -6.898 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.690 -4.872 -3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.231 -4.265 -5.075 1.00 0.00 H new ATOM 546 N GLY A 35 -6.244 -5.475 -7.402 1.00 0.00 N ATOM 547 CA GLY A 35 -6.882 -5.164 -8.698 1.00 0.00 C ATOM 548 C GLY A 35 -7.149 -6.401 -9.559 1.00 0.00 C ATOM 549 O GLY A 35 -8.284 -6.747 -9.890 1.00 0.00 O ATOM 0 H GLY A 35 -5.312 -5.076 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.824 -4.648 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.244 -4.476 -9.252 1.00 0.00 H new ATOM 553 N LYS A 36 -6.054 -7.059 -9.948 1.00 0.00 N ATOM 554 CA LYS A 36 -6.116 -8.302 -10.744 1.00 0.00 C ATOM 555 C LYS A 36 -6.504 -9.484 -9.840 1.00 0.00 C ATOM 556 O LYS A 36 -5.703 -10.308 -9.394 1.00 0.00 O ATOM 557 CB LYS A 36 -4.748 -8.516 -11.447 1.00 0.00 C ATOM 558 CG LYS A 36 -4.774 -9.503 -12.645 1.00 0.00 C ATOM 559 CD LYS A 36 -4.912 -11.012 -12.326 1.00 0.00 C ATOM 560 CE LYS A 36 -3.624 -11.687 -11.790 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.241 -11.154 -10.476 1.00 0.00 N ATOM 0 H LYS A 36 -5.106 -6.755 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.883 -8.228 -11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.382 -7.551 -11.798 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.031 -8.880 -10.711 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.601 -9.220 -13.296 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.856 -9.363 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.706 -11.142 -11.590 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.228 -11.532 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.781 -12.763 -11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.810 -11.532 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.622 -11.835 -9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.735 -10.254 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.095 -10.995 -9.904 1.00 0.00 H new ATOM 666 N VAL B 5 -5.596 -7.158 10.361 1.00 0.00 N ATOM 667 CA VAL B 5 -5.379 -7.253 8.904 1.00 0.00 C ATOM 668 C VAL B 5 -4.494 -6.101 8.400 1.00 0.00 C ATOM 669 O VAL B 5 -3.611 -6.257 7.559 1.00 0.00 O ATOM 670 CB VAL B 5 -6.737 -7.247 8.157 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.563 -7.349 6.623 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.660 -8.383 8.652 1.00 0.00 C ATOM 0 HA VAL B 5 -4.865 -8.192 8.700 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.203 -6.288 8.382 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.542 -7.341 6.144 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.978 -6.502 6.266 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.046 -8.276 6.376 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.603 -8.349 8.107 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.177 -9.345 8.481 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.852 -8.258 9.718 1.00 0.00 H new ATOM 682 N LYS B 6 -4.764 -4.906 8.938 1.00 0.00 N ATOM 683 CA LYS B 6 -3.983 -3.708 8.580 1.00 0.00 C ATOM 684 C LYS B 6 -2.492 -3.863 8.911 1.00 0.00 C ATOM 685 O LYS B 6 -1.608 -3.485 8.148 1.00 0.00 O ATOM 686 CB LYS B 6 -4.560 -2.456 9.276 1.00 0.00 C ATOM 687 CG LYS B 6 -3.887 -1.164 8.767 1.00 0.00 C ATOM 688 CD LYS B 6 -4.538 0.113 9.333 1.00 0.00 C ATOM 689 CE LYS B 6 -3.901 1.393 8.753 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.093 1.427 7.294 1.00 0.00 N ATOM 0 H LYS B 6 -5.508 -4.739 9.616 1.00 0.00 H new ATOM 0 HA LYS B 6 -4.064 -3.586 7.500 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.634 -2.402 9.098 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.419 -2.540 10.354 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.831 -1.179 9.038 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.936 -1.139 7.678 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.605 0.106 9.109 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.440 0.119 10.419 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.352 2.274 9.209 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -2.837 1.421 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.167 1.415 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.644 0.596 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.605 2.293 7.031 1.00 0.00 H new ATOM 704 N LEU B 7 -2.217 -4.430 10.089 1.00 0.00 N ATOM 705 CA LEU B 7 -0.829 -4.700 10.514 1.00 0.00 C ATOM 706 C LEU B 7 -0.091 -5.629 9.537 1.00 0.00 C ATOM 707 O LEU B 7 1.096 -5.486 9.254 1.00 0.00 O ATOM 708 CB LEU B 7 -0.817 -5.324 11.929 1.00 0.00 C ATOM 709 CG LEU B 7 -1.362 -4.385 13.031 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.460 -5.118 14.384 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.518 -3.098 13.168 1.00 0.00 C ATOM 0 H LEU B 7 -2.927 -4.711 10.765 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.305 -3.744 10.524 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.411 -6.238 11.918 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.204 -5.610 12.181 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.365 -4.085 12.726 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.846 -4.435 15.141 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.132 -5.971 14.288 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.471 -5.467 14.681 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.938 -2.469 13.953 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.508 -3.361 13.424 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.528 -2.554 12.224 1.00 0.00 H new ATOM 723 N THR B 8 -0.834 -6.614 9.021 1.00 0.00 N ATOM 724 CA THR B 8 -0.286 -7.592 8.060 1.00 0.00 C ATOM 725 C THR B 8 0.204 -6.919 6.766 1.00 0.00 C ATOM 726 O THR B 8 1.322 -7.120 6.289 1.00 0.00 O ATOM 727 CB THR B 8 -1.369 -8.649 7.722 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.841 -9.249 8.932 1.00 0.00 O ATOM 729 CG2 THR B 8 -0.847 -9.763 6.789 1.00 0.00 C ATOM 0 H THR B 8 -1.817 -6.760 9.250 1.00 0.00 H new ATOM 0 HA THR B 8 0.574 -8.071 8.528 1.00 0.00 H new ATOM 0 HB THR B 8 -2.171 -8.128 7.200 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.527 -9.916 8.720 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.648 -10.474 6.587 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.508 -9.323 5.851 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.016 -10.280 7.269 1.00 0.00 H new ATOM 737 N ILE B 9 -0.683 -6.107 6.184 1.00 0.00 N ATOM 738 CA ILE B 9 -0.397 -5.415 4.912 1.00 0.00 C ATOM 739 C ILE B 9 0.638 -4.282 5.059 1.00 0.00 C ATOM 740 O ILE B 9 1.486 -4.049 4.200 1.00 0.00 O ATOM 741 CB ILE B 9 -1.718 -4.890 4.286 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.515 -4.272 2.880 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.459 -3.895 5.204 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.942 -5.263 1.846 1.00 0.00 C ATOM 0 H ILE B 9 -1.607 -5.909 6.569 1.00 0.00 H new ATOM 0 HA ILE B 9 0.054 -6.146 4.241 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.346 -5.774 4.173 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.471 -3.894 2.517 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.844 -3.417 2.962 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.374 -3.561 4.715 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.708 -4.385 6.145 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.819 -3.035 5.401 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.827 -4.761 0.886 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.029 -5.623 2.186 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.623 -6.107 1.735 1.00 0.00 H new ATOM 756 N CYS B 10 0.557 -3.581 6.196 1.00 0.00 N ATOM 757 CA CYS B 10 1.377 -2.383 6.485 1.00 0.00 C ATOM 758 C CYS B 10 2.860 -2.456 6.077 1.00 0.00 C ATOM 759 O CYS B 10 3.339 -1.546 5.403 1.00 0.00 O ATOM 760 CB CYS B 10 1.258 -2.005 7.980 1.00 0.00 C ATOM 761 SG CYS B 10 -0.165 -0.928 8.297 1.00 0.00 S ATOM 0 H CYS B 10 -0.083 -3.826 6.952 1.00 0.00 H new ATOM 0 HA CYS B 10 0.957 -1.608 5.844 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.166 -2.912 8.577 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.171 -1.503 8.301 1.00 0.00 H new ATOM 766 N PRO B 11 3.635 -3.487 6.451 1.00 0.00 N ATOM 767 CA PRO B 11 5.054 -3.610 6.066 1.00 0.00 C ATOM 768 C PRO B 11 5.272 -3.557 4.546 1.00 0.00 C ATOM 769 O PRO B 11 6.185 -2.916 4.026 1.00 0.00 O ATOM 770 CB PRO B 11 5.495 -4.962 6.658 1.00 0.00 C ATOM 771 CG PRO B 11 4.189 -5.725 6.837 1.00 0.00 C ATOM 772 CD PRO B 11 3.214 -4.627 7.277 1.00 0.00 C ATOM 0 HA PRO B 11 5.641 -2.774 6.445 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.177 -5.488 5.990 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.016 -4.832 7.607 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.869 -6.203 5.911 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.279 -6.511 7.587 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.177 -4.905 7.089 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.298 -4.411 8.342 1.00 0.00 H new ATOM 780 N THR B 12 4.399 -4.267 3.828 1.00 0.00 N ATOM 781 CA THR B 12 4.399 -4.242 2.350 1.00 0.00 C ATOM 782 C THR B 12 4.175 -2.815 1.823 1.00 0.00 C ATOM 783 O THR B 12 4.822 -2.335 0.893 1.00 0.00 O ATOM 784 CB THR B 12 3.297 -5.183 1.803 1.00 0.00 C ATOM 785 OG1 THR B 12 3.440 -6.479 2.394 1.00 0.00 O ATOM 786 CG2 THR B 12 3.367 -5.338 0.270 1.00 0.00 C ATOM 0 H THR B 12 3.682 -4.867 4.237 1.00 0.00 H new ATOM 0 HA THR B 12 5.373 -4.587 2.004 1.00 0.00 H new ATOM 0 HB THR B 12 2.336 -4.736 2.059 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.850 -7.114 1.937 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.574 -6.007 -0.065 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.242 -4.363 -0.200 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.335 -5.754 -0.010 1.00 0.00 H new ATOM 794 N LEU B 13 3.212 -2.127 2.446 1.00 0.00 N ATOM 795 CA LEU B 13 2.881 -0.732 2.087 1.00 0.00 C ATOM 796 C LEU B 13 4.061 0.229 2.293 1.00 0.00 C ATOM 797 O LEU B 13 4.255 1.198 1.560 1.00 0.00 O ATOM 798 CB LEU B 13 1.670 -0.232 2.907 1.00 0.00 C ATOM 799 CG LEU B 13 0.406 -1.108 2.759 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.765 -0.543 3.591 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.004 -1.306 1.282 1.00 0.00 C ATOM 0 H LEU B 13 2.644 -2.509 3.203 1.00 0.00 H new ATOM 0 HA LEU B 13 2.637 -0.738 1.025 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.949 -0.190 3.960 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.432 0.786 2.600 1.00 0.00 H new ATOM 0 HG LEU B 13 0.658 -2.093 3.152 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.640 -1.180 3.467 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.483 -0.515 4.644 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.000 0.466 3.251 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.897 -1.929 1.233 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.212 -0.337 0.829 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.808 -1.793 0.741 1.00 0.00 H new ATOM 813 N LYS B 14 4.843 -0.028 3.346 1.00 0.00 N ATOM 814 CA LYS B 14 6.059 0.761 3.628 1.00 0.00 C ATOM 815 C LYS B 14 7.116 0.591 2.529 1.00 0.00 C ATOM 816 O LYS B 14 7.756 1.532 2.063 1.00 0.00 O ATOM 817 CB LYS B 14 6.658 0.359 4.995 1.00 0.00 C ATOM 818 CG LYS B 14 5.753 0.723 6.196 1.00 0.00 C ATOM 819 CD LYS B 14 5.498 2.240 6.348 1.00 0.00 C ATOM 820 CE LYS B 14 6.780 3.052 6.619 1.00 0.00 C ATOM 821 NZ LYS B 14 6.432 4.475 6.736 1.00 0.00 N ATOM 0 H LYS B 14 4.661 -0.773 4.019 1.00 0.00 H new ATOM 0 HA LYS B 14 5.766 1.810 3.655 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.841 -0.715 5.001 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.625 0.848 5.117 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.796 0.213 6.086 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.211 0.348 7.111 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.025 2.614 5.440 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.794 2.403 7.164 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.258 2.705 7.535 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.496 2.905 5.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 6.923 4.886 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.722 4.976 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.404 4.572 6.863 1.00 0.00 H new ATOM 835 N SER B 15 7.303 -0.669 2.122 1.00 0.00 N ATOM 836 CA SER B 15 8.218 -1.005 1.014 1.00 0.00 C ATOM 837 C SER B 15 7.829 -0.271 -0.282 1.00 0.00 C ATOM 838 O SER B 15 8.652 0.205 -1.062 1.00 0.00 O ATOM 839 CB SER B 15 8.212 -2.532 0.788 1.00 0.00 C ATOM 840 OG SER B 15 8.624 -3.198 1.984 1.00 0.00 O ATOM 0 H SER B 15 6.836 -1.475 2.539 1.00 0.00 H new ATOM 0 HA SER B 15 9.222 -0.679 1.286 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.214 -2.863 0.502 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.881 -2.790 -0.033 1.00 0.00 H new ATOM 0 HG SER B 15 7.910 -3.142 2.652 1.00 0.00 H new ATOM 846 N MET B 16 6.512 -0.199 -0.502 1.00 0.00 N ATOM 847 CA MET B 16 5.938 0.571 -1.621 1.00 0.00 C ATOM 848 C MET B 16 6.256 2.069 -1.489 1.00 0.00 C ATOM 849 O MET B 16 6.708 2.739 -2.417 1.00 0.00 O ATOM 850 CB MET B 16 4.406 0.351 -1.644 1.00 0.00 C ATOM 851 CG MET B 16 3.689 1.113 -2.777 1.00 0.00 C ATOM 852 SD MET B 16 1.899 0.837 -2.800 1.00 0.00 S ATOM 853 CE MET B 16 1.415 1.592 -1.228 1.00 0.00 C ATOM 0 H MET B 16 5.817 -0.666 0.081 1.00 0.00 H new ATOM 0 HA MET B 16 6.381 0.222 -2.554 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.202 -0.715 -1.749 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.988 0.663 -0.687 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.884 2.180 -2.669 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.110 0.807 -3.735 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.334 1.727 -1.207 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.716 0.944 -0.405 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.904 2.561 -1.124 1.00 0.00 H new ATOM 863 N ALA B 17 6.028 2.572 -0.271 1.00 0.00 N ATOM 864 CA ALA B 17 6.175 4.004 0.066 1.00 0.00 C ATOM 865 C ALA B 17 7.523 4.587 -0.375 1.00 0.00 C ATOM 866 O ALA B 17 7.644 5.740 -0.791 1.00 0.00 O ATOM 867 CB ALA B 17 6.021 4.192 1.590 1.00 0.00 C ATOM 0 H ALA B 17 5.734 1.998 0.519 1.00 0.00 H new ATOM 0 HA ALA B 17 5.395 4.539 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.129 5.248 1.839 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.036 3.845 1.902 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.789 3.617 2.107 1.00 0.00 H new ATOM 873 N LYS B 18 8.555 3.744 -0.269 1.00 0.00 N ATOM 874 CA LYS B 18 9.936 4.121 -0.631 1.00 0.00 C ATOM 875 C LYS B 18 10.013 4.819 -1.996 1.00 0.00 C ATOM 876 O LYS B 18 10.573 5.903 -2.157 1.00 0.00 O ATOM 877 CB LYS B 18 10.828 2.856 -0.664 1.00 0.00 C ATOM 878 CG LYS B 18 10.773 2.002 0.623 1.00 0.00 C ATOM 879 CD LYS B 18 11.135 2.782 1.904 1.00 0.00 C ATOM 880 CE LYS B 18 11.064 1.890 3.159 1.00 0.00 C ATOM 881 NZ LYS B 18 11.398 2.688 4.347 1.00 0.00 N ATOM 0 H LYS B 18 8.464 2.785 0.067 1.00 0.00 H new ATOM 0 HA LYS B 18 10.287 4.823 0.125 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.528 2.237 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.860 3.159 -0.841 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.770 1.589 0.731 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.455 1.158 0.518 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.140 3.193 1.807 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.455 3.626 2.020 1.00 0.00 H new ATOM 0 HE2 LYS B 18 10.065 1.467 3.261 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.756 1.053 3.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.350 2.086 5.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.360 3.071 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 10.721 3.472 4.440 1.00 0.00 H new ATOM 895 N LYS B 19 9.416 4.165 -3.001 1.00 0.00 N ATOM 896 CA LYS B 19 9.410 4.699 -4.376 1.00 0.00 C ATOM 897 C LYS B 19 7.992 5.096 -4.828 1.00 0.00 C ATOM 898 O LYS B 19 7.469 4.693 -5.867 1.00 0.00 O ATOM 899 CB LYS B 19 10.020 3.623 -5.312 1.00 0.00 C ATOM 900 CG LYS B 19 10.283 4.121 -6.751 1.00 0.00 C ATOM 901 CD LYS B 19 10.896 3.023 -7.642 1.00 0.00 C ATOM 902 CE LYS B 19 11.063 3.483 -9.102 1.00 0.00 C ATOM 903 NZ LYS B 19 11.613 2.380 -9.903 1.00 0.00 N ATOM 0 H LYS B 19 8.934 3.273 -2.893 1.00 0.00 H new ATOM 0 HA LYS B 19 10.007 5.610 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.958 3.272 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.347 2.766 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.347 4.464 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.955 4.979 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.867 2.733 -7.241 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.261 2.137 -7.612 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.101 3.797 -9.508 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.726 4.347 -9.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.726 2.690 -10.889 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.538 2.100 -9.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.964 1.568 -9.868 1.00 0.00 H new ATOM 917 N CYS B 20 7.344 5.920 -3.996 1.00 0.00 N ATOM 918 CA CYS B 20 6.054 6.528 -4.381 1.00 0.00 C ATOM 919 C CYS B 20 6.211 8.007 -4.751 1.00 0.00 C ATOM 920 O CYS B 20 7.168 8.698 -4.403 1.00 0.00 O ATOM 921 CB CYS B 20 5.019 6.413 -3.243 1.00 0.00 C ATOM 922 SG CYS B 20 4.589 4.706 -2.827 1.00 0.00 S ATOM 0 H CYS B 20 7.679 6.181 -3.068 1.00 0.00 H new ATOM 0 HA CYS B 20 5.703 5.976 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.412 6.907 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.114 6.947 -3.531 1.00 0.00 H new ATOM 927 N GLU B 21 5.205 8.491 -5.484 1.00 0.00 N ATOM 928 CA GLU B 21 5.144 9.914 -5.866 1.00 0.00 C ATOM 929 C GLU B 21 4.318 10.702 -4.844 1.00 0.00 C ATOM 930 O GLU B 21 3.466 10.175 -4.128 1.00 0.00 O ATOM 931 CB GLU B 21 4.512 10.055 -7.271 1.00 0.00 C ATOM 932 CG GLU B 21 5.296 9.316 -8.386 1.00 0.00 C ATOM 933 CD GLU B 21 5.088 7.795 -8.299 1.00 0.00 C ATOM 934 OE1 GLU B 21 3.984 7.337 -8.593 1.00 0.00 O ATOM 935 OE2 GLU B 21 6.023 7.083 -7.933 1.00 0.00 O ATOM 0 H GLU B 21 4.425 7.928 -5.825 1.00 0.00 H new ATOM 0 HA GLU B 21 6.157 10.316 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.492 9.671 -7.241 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.447 11.113 -7.525 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.970 9.675 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU B 21 6.358 9.546 -8.301 1.00 0.00 H new ATOM 942 N GLY B 22 4.572 12.015 -4.795 1.00 0.00 N ATOM 943 CA GLY B 22 3.887 12.897 -3.829 1.00 0.00 C ATOM 944 C GLY B 22 4.162 12.492 -2.372 1.00 0.00 C ATOM 945 O GLY B 22 5.041 11.694 -2.043 1.00 0.00 O ATOM 0 H GLY B 22 5.238 12.491 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.212 13.925 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY B 22 2.813 12.871 -4.015 1.00 0.00 H new ATOM 949 N SER B 23 3.379 13.095 -1.469 1.00 0.00 N ATOM 950 CA SER B 23 3.436 12.731 -0.037 1.00 0.00 C ATOM 951 C SER B 23 2.567 11.496 0.284 1.00 0.00 C ATOM 952 O SER B 23 1.917 11.370 1.323 1.00 0.00 O ATOM 953 CB SER B 23 2.990 13.947 0.809 1.00 0.00 C ATOM 954 OG SER B 23 1.647 14.317 0.475 1.00 0.00 O ATOM 0 H SER B 23 2.706 13.827 -1.694 1.00 0.00 H new ATOM 0 HA SER B 23 4.463 12.463 0.210 1.00 0.00 H new ATOM 0 HB2 SER B 23 3.055 13.705 1.870 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.661 14.788 0.633 1.00 0.00 H new ATOM 0 HG SER B 23 1.375 15.086 1.018 1.00 0.00 H new ATOM 960 N ILE B 24 2.584 10.543 -0.653 1.00 0.00 N ATOM 961 CA ILE B 24 1.876 9.259 -0.490 1.00 0.00 C ATOM 962 C ILE B 24 2.543 8.391 0.581 1.00 0.00 C ATOM 963 O ILE B 24 1.903 7.772 1.430 1.00 0.00 O ATOM 964 CB ILE B 24 1.822 8.539 -1.862 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.911 9.297 -2.861 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.433 7.047 -1.756 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.573 9.362 -2.440 1.00 0.00 C ATOM 0 H ILE B 24 3.082 10.633 -1.539 1.00 0.00 H new ATOM 0 HA ILE B 24 0.858 9.445 -0.148 1.00 0.00 H new ATOM 0 HB ILE B 24 2.839 8.554 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.288 10.313 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.980 8.815 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.414 6.604 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.164 6.523 -1.140 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.446 6.960 -1.301 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.141 9.909 -3.193 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.970 8.351 -2.349 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.657 9.872 -1.480 1.00 0.00 H new ATOM 979 N ALA B 25 3.876 8.344 0.511 1.00 0.00 N ATOM 980 CA ALA B 25 4.698 7.636 1.512 1.00 0.00 C ATOM 981 C ALA B 25 4.342 8.047 2.950 1.00 0.00 C ATOM 982 O ALA B 25 4.249 7.241 3.876 1.00 0.00 O ATOM 983 CB ALA B 25 6.182 7.951 1.247 1.00 0.00 C ATOM 0 H ALA B 25 4.417 8.789 -0.231 1.00 0.00 H new ATOM 0 HA ALA B 25 4.501 6.568 1.416 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.800 7.434 1.980 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.451 7.617 0.245 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.346 9.026 1.328 1.00 0.00 H new ATOM 989 N THR B 26 4.146 9.359 3.116 1.00 0.00 N ATOM 990 CA THR B 26 3.734 9.938 4.410 1.00 0.00 C ATOM 991 C THR B 26 2.423 9.313 4.912 1.00 0.00 C ATOM 992 O THR B 26 2.274 8.918 6.068 1.00 0.00 O ATOM 993 CB THR B 26 3.556 11.468 4.259 1.00 0.00 C ATOM 994 OG1 THR B 26 4.760 12.040 3.737 1.00 0.00 O ATOM 995 CG2 THR B 26 3.219 12.165 5.595 1.00 0.00 C ATOM 0 H THR B 26 4.265 10.046 2.372 1.00 0.00 H new ATOM 0 HA THR B 26 4.513 9.724 5.142 1.00 0.00 H new ATOM 0 HB THR B 26 2.718 11.624 3.580 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.647 13.009 3.640 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.106 13.236 5.428 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.289 11.759 5.993 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.024 11.992 6.309 1.00 0.00 H new ATOM 1003 N MET B 27 1.452 9.234 3.995 1.00 0.00 N ATOM 1004 CA MET B 27 0.132 8.641 4.293 1.00 0.00 C ATOM 1005 C MET B 27 0.221 7.185 4.770 1.00 0.00 C ATOM 1006 O MET B 27 -0.506 6.740 5.657 1.00 0.00 O ATOM 1007 CB MET B 27 -0.782 8.712 3.052 1.00 0.00 C ATOM 1008 CG MET B 27 -1.083 10.151 2.592 1.00 0.00 C ATOM 1009 SD MET B 27 -1.929 11.136 3.857 1.00 0.00 S ATOM 1010 CE MET B 27 -3.474 10.204 4.023 1.00 0.00 C ATOM 0 H MET B 27 1.550 9.572 3.038 1.00 0.00 H new ATOM 0 HA MET B 27 -0.289 9.229 5.108 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.312 8.168 2.233 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.722 8.206 3.273 1.00 0.00 H new ATOM 0 HG2 MET B 27 -0.149 10.643 2.321 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.699 10.118 1.693 1.00 0.00 H new ATOM 0 HE1 MET B 27 -4.124 10.702 4.742 1.00 0.00 H new ATOM 0 HE2 MET B 27 -3.974 10.153 3.056 1.00 0.00 H new ATOM 0 HE3 MET B 27 -3.254 9.195 4.371 1.00 0.00 H new ATOM 1020 N ILE B 28 1.123 6.421 4.139 1.00 0.00 N ATOM 1021 CA ILE B 28 1.349 5.016 4.533 1.00 0.00 C ATOM 1022 C ILE B 28 1.723 4.923 6.019 1.00 0.00 C ATOM 1023 O ILE B 28 1.107 4.220 6.819 1.00 0.00 O ATOM 1024 CB ILE B 28 2.481 4.375 3.682 1.00 0.00 C ATOM 1025 CG1 ILE B 28 2.208 4.434 2.160 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.758 2.921 4.127 1.00 0.00 C ATOM 1027 CD1 ILE B 28 0.899 3.737 1.745 1.00 0.00 C ATOM 0 H ILE B 28 1.703 6.742 3.364 1.00 0.00 H new ATOM 0 HA ILE B 28 0.420 4.473 4.359 1.00 0.00 H new ATOM 0 HB ILE B 28 3.371 4.977 3.864 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.171 5.477 1.845 1.00 0.00 H new ATOM 0 HG13 ILE B 28 3.041 3.971 1.631 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.554 2.498 3.514 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.062 2.913 5.174 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.853 2.325 4.007 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.771 3.817 0.666 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.941 2.685 2.029 1.00 0.00 H new ATOM 0 HD13 ILE B 28 0.057 4.215 2.247 1.00 0.00 H new ATOM 1039 N LYS B 29 2.768 5.676 6.373 1.00 0.00 N ATOM 1040 CA LYS B 29 3.280 5.717 7.756 1.00 0.00 C ATOM 1041 C LYS B 29 2.190 6.136 8.758 1.00 0.00 C ATOM 1042 O LYS B 29 2.029 5.586 9.845 1.00 0.00 O ATOM 1043 CB LYS B 29 4.431 6.740 7.837 1.00 0.00 C ATOM 1044 CG LYS B 29 5.223 6.608 9.155 1.00 0.00 C ATOM 1045 CD LYS B 29 6.090 7.843 9.486 1.00 0.00 C ATOM 1046 CE LYS B 29 5.250 9.111 9.758 1.00 0.00 C ATOM 1047 NZ LYS B 29 4.301 8.861 10.856 1.00 0.00 N ATOM 0 H LYS B 29 3.282 6.270 5.722 1.00 0.00 H new ATOM 0 HA LYS B 29 3.621 4.714 8.014 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.105 6.597 6.992 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.027 7.749 7.755 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.523 6.437 9.973 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.866 5.730 9.096 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.704 7.626 10.360 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.771 8.035 8.657 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.905 9.943 10.015 1.00 0.00 H new ATOM 0 HE3 LYS B 29 4.709 9.399 8.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 3.938 9.767 11.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 3.509 8.285 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.785 8.354 11.624 1.00 0.00 H new ATOM 1061 N LYS B 30 1.434 7.160 8.344 1.00 0.00 N ATOM 1062 CA LYS B 30 0.374 7.772 9.168 1.00 0.00 C ATOM 1063 C LYS B 30 -0.667 6.740 9.622 1.00 0.00 C ATOM 1064 O LYS B 30 -0.922 6.526 10.806 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.276 8.899 8.327 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.399 9.713 9.015 1.00 0.00 C ATOM 1067 CD LYS B 30 -2.710 8.926 9.223 1.00 0.00 C ATOM 1068 CE LYS B 30 -3.892 9.836 9.604 1.00 0.00 C ATOM 1069 NZ LYS B 30 -5.106 9.019 9.744 1.00 0.00 N ATOM 0 H LYS B 30 1.537 7.592 7.426 1.00 0.00 H new ATOM 0 HA LYS B 30 0.805 8.180 10.082 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.508 9.591 8.020 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.684 8.455 7.419 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.039 10.062 9.983 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.610 10.599 8.416 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.953 8.384 8.309 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.562 8.181 10.005 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.680 10.356 10.538 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -4.039 10.600 8.840 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -5.715 9.426 10.483 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -5.621 9.004 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -4.843 8.048 10.008 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.282 6.088 8.631 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.321 5.073 8.892 1.00 0.00 C ATOM 1085 C LYS B 31 -1.760 3.877 9.675 1.00 0.00 C ATOM 1086 O LYS B 31 -2.278 3.450 10.707 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.929 4.607 7.551 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.630 5.742 6.771 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.848 6.327 7.518 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.568 7.435 6.722 1.00 0.00 C ATOM 1091 NZ LYS B 31 -4.664 8.577 6.517 1.00 0.00 N ATOM 0 H LYS B 31 -1.083 6.240 7.642 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.098 5.525 9.508 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.140 4.182 6.930 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.647 3.810 7.743 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.912 6.539 6.578 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.953 5.363 5.802 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.554 5.525 7.734 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.520 6.730 8.476 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.899 7.046 5.759 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.460 7.759 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.100 9.250 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -4.490 9.050 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -3.762 8.240 6.124 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.669 3.321 9.139 1.00 0.00 N ATOM 1106 CA CYS B 32 0.115 2.282 9.836 1.00 0.00 C ATOM 1107 C CYS B 32 0.813 2.845 11.090 1.00 0.00 C ATOM 1108 O CYS B 32 0.535 3.940 11.584 1.00 0.00 O ATOM 1109 CB CYS B 32 1.158 1.719 8.841 1.00 0.00 C ATOM 1110 SG CYS B 32 0.387 0.831 7.467 1.00 0.00 S ATOM 0 H CYS B 32 -0.303 3.571 8.220 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.554 1.491 10.175 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.761 2.538 8.449 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.836 1.048 9.369 1.00 0.00 H new