USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=21 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 Single : A 5 LYS NZ :NH3+ 151:sc= -1.17 (180deg=-2.77!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.202 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -168:sc=-0.00643 (180deg=-0.177) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc=-0.00392 (180deg=-0.211) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 78:sc= 0.633 USER MOD Single : A 29 TYR OH : rot 49:sc= 0.0991 USER MOD Single : A 31 LYS NZ :NH3+ 178:sc= -0.643 (180deg=-0.647) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 176:sc= -0.0647 (180deg=-0.0739) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -130:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 143:sc= -1.9 (180deg=-3.81!) USER MOD Single : B 15 SER OG : rot 82:sc= 0.241 USER MOD Single : B 16 MET CE :methyl 172:sc= -0.304 (180deg=-0.413) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -169:sc= -0.0033 (180deg=-0.172) USER MOD Single : B 23 SER OG : rot 180:sc= 0 USER MOD Single : B 26 THR OG1 : rot 79:sc= 0.534 USER MOD Single : B 27 MET CE :methyl 134:sc= -0.239 (180deg=-1.68) USER MOD Single : B 29 LYS NZ :NH3+ -165:sc= -0.0315 (180deg=-0.249) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -168:sc= -0.005 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -0.144 -12.985 3.048 1.00 0.00 N ATOM 27 CA ILE A 3 -1.412 -12.241 2.963 1.00 0.00 C ATOM 28 C ILE A 3 -2.407 -13.025 2.088 1.00 0.00 C ATOM 29 O ILE A 3 -2.218 -13.165 0.879 1.00 0.00 O ATOM 30 CB ILE A 3 -1.166 -10.829 2.364 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.085 -10.063 3.167 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.491 -10.033 2.293 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.199 -8.635 2.659 1.00 0.00 C ATOM 0 HA ILE A 3 -1.829 -12.123 3.963 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.791 -10.947 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.396 -10.008 4.210 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.842 -10.635 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.300 -9.046 1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.202 -10.566 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.905 -9.925 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.968 -8.174 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.544 -8.678 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.714 -8.042 2.712 1.00 0.00 H new ATOM 45 N PRO A 4 -3.479 -13.575 2.676 1.00 0.00 N ATOM 46 CA PRO A 4 -4.463 -14.399 1.955 1.00 0.00 C ATOM 47 C PRO A 4 -5.420 -13.572 1.086 1.00 0.00 C ATOM 48 O PRO A 4 -5.424 -12.340 1.050 1.00 0.00 O ATOM 49 CB PRO A 4 -5.226 -15.089 3.098 1.00 0.00 C ATOM 50 CG PRO A 4 -5.248 -14.016 4.173 1.00 0.00 C ATOM 51 CD PRO A 4 -3.832 -13.425 4.098 1.00 0.00 C ATOM 0 HA PRO A 4 -3.988 -15.084 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.232 -15.382 2.796 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.719 -15.993 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -6.011 -13.263 3.976 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -5.459 -14.434 5.157 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.815 -12.380 4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -3.137 -13.961 4.744 1.00 0.00 H new ATOM 59 N LYS A 5 -6.273 -14.314 0.374 1.00 0.00 N ATOM 60 CA LYS A 5 -7.264 -13.725 -0.543 1.00 0.00 C ATOM 61 C LYS A 5 -8.197 -12.730 0.162 1.00 0.00 C ATOM 62 O LYS A 5 -8.439 -11.613 -0.292 1.00 0.00 O ATOM 63 CB LYS A 5 -8.082 -14.865 -1.194 1.00 0.00 C ATOM 64 CG LYS A 5 -9.161 -14.357 -2.178 1.00 0.00 C ATOM 65 CD LYS A 5 -9.937 -15.471 -2.918 1.00 0.00 C ATOM 66 CE LYS A 5 -9.175 -16.112 -4.104 1.00 0.00 C ATOM 67 NZ LYS A 5 -7.964 -16.806 -3.646 1.00 0.00 N ATOM 0 H LYS A 5 -6.300 -15.333 0.413 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.728 -13.160 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.403 -15.534 -1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.562 -15.452 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.873 -13.741 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.685 -13.712 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.193 -16.253 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.875 -15.057 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.827 -16.816 -4.620 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.904 -15.341 -4.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.750 -17.593 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.165 -16.140 -3.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.118 -17.176 -2.686 1.00 0.00 H new ATOM 81 N LYS A 6 -8.721 -13.165 1.313 1.00 0.00 N ATOM 82 CA LYS A 6 -9.662 -12.346 2.102 1.00 0.00 C ATOM 83 C LYS A 6 -9.085 -10.971 2.469 1.00 0.00 C ATOM 84 O LYS A 6 -9.709 -9.925 2.291 1.00 0.00 O ATOM 85 CB LYS A 6 -10.068 -13.111 3.383 1.00 0.00 C ATOM 86 CG LYS A 6 -11.087 -12.342 4.255 1.00 0.00 C ATOM 87 CD LYS A 6 -12.391 -12.004 3.498 1.00 0.00 C ATOM 88 CE LYS A 6 -13.394 -11.228 4.374 1.00 0.00 C ATOM 89 NZ LYS A 6 -14.595 -10.924 3.582 1.00 0.00 N ATOM 0 H LYS A 6 -8.513 -14.076 1.722 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.539 -12.166 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.493 -14.075 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.175 -13.316 3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.328 -12.938 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.630 -11.419 4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.152 -11.413 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.855 -12.927 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.662 -11.818 5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.940 -10.306 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -15.275 -10.400 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.331 -10.346 2.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -15.030 -11.811 3.257 1.00 0.00 H new ATOM 103 N ILE A 7 -7.859 -10.985 3.004 1.00 0.00 N ATOM 104 CA ILE A 7 -7.173 -9.736 3.387 1.00 0.00 C ATOM 105 C ILE A 7 -6.994 -8.792 2.190 1.00 0.00 C ATOM 106 O ILE A 7 -7.208 -7.584 2.275 1.00 0.00 O ATOM 107 CB ILE A 7 -5.813 -10.041 4.065 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.989 -10.840 5.381 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.983 -8.758 4.309 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.765 -10.081 6.478 1.00 0.00 C ATOM 0 H ILE A 7 -7.323 -11.834 3.182 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.808 -9.222 4.109 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.256 -10.666 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.510 -11.772 5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.005 -11.108 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.039 -9.021 4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.784 -8.267 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.541 -8.082 4.957 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.845 -10.707 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.235 -9.162 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.763 -9.837 6.115 1.00 0.00 H new ATOM 122 N TRP A 8 -6.579 -9.362 1.053 1.00 0.00 N ATOM 123 CA TRP A 8 -6.428 -8.583 -0.195 1.00 0.00 C ATOM 124 C TRP A 8 -7.710 -7.836 -0.592 1.00 0.00 C ATOM 125 O TRP A 8 -7.697 -6.678 -1.008 1.00 0.00 O ATOM 126 CB TRP A 8 -5.968 -9.503 -1.345 1.00 0.00 C ATOM 127 CG TRP A 8 -4.486 -9.877 -1.194 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.937 -11.162 -1.341 1.00 0.00 C ATOM 129 CD2 TRP A 8 -3.388 -9.030 -0.938 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.589 -11.140 -1.181 1.00 0.00 N ATOM 131 CE2 TRP A 8 -2.227 -9.849 -0.932 1.00 0.00 C ATOM 132 CE3 TRP A 8 -3.262 -7.652 -0.739 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.977 -9.266 -0.704 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -2.007 -7.083 -0.515 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.868 -7.891 -0.494 1.00 0.00 C ATOM 0 H TRP A 8 -6.342 -10.350 0.964 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.668 -7.825 -0.005 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.575 -10.408 -1.356 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -6.124 -9.002 -2.300 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.512 -12.051 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.962 -11.942 -1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.140 -7.024 -0.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.091 -9.883 -0.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.917 -6.018 -0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.101 -7.450 -0.314 1.00 0.00 H new ATOM 146 N GLU A 9 -8.844 -8.533 -0.462 1.00 0.00 N ATOM 147 CA GLU A 9 -10.167 -7.925 -0.716 1.00 0.00 C ATOM 148 C GLU A 9 -10.430 -6.715 0.194 1.00 0.00 C ATOM 149 O GLU A 9 -10.892 -5.651 -0.216 1.00 0.00 O ATOM 150 CB GLU A 9 -11.277 -8.974 -0.487 1.00 0.00 C ATOM 151 CG GLU A 9 -11.201 -10.165 -1.467 1.00 0.00 C ATOM 152 CD GLU A 9 -12.202 -11.253 -1.053 1.00 0.00 C ATOM 153 OE1 GLU A 9 -13.406 -11.003 -1.100 1.00 0.00 O ATOM 154 OE2 GLU A 9 -11.763 -12.342 -0.686 1.00 0.00 O ATOM 0 H GLU A 9 -8.879 -9.514 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.173 -7.581 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.209 -9.348 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.250 -8.492 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.418 -9.827 -2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.191 -10.574 -1.477 1.00 0.00 H new ATOM 161 N THR A 10 -10.124 -6.912 1.480 1.00 0.00 N ATOM 162 CA THR A 10 -10.337 -5.877 2.511 1.00 0.00 C ATOM 163 C THR A 10 -9.538 -4.596 2.221 1.00 0.00 C ATOM 164 O THR A 10 -10.045 -3.474 2.223 1.00 0.00 O ATOM 165 CB THR A 10 -9.932 -6.448 3.894 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.703 -7.622 4.167 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.139 -5.444 5.048 1.00 0.00 C ATOM 0 H THR A 10 -9.726 -7.780 1.838 1.00 0.00 H new ATOM 0 HA THR A 10 -11.393 -5.607 2.505 1.00 0.00 H new ATOM 0 HB THR A 10 -8.867 -6.674 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.373 -8.365 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.837 -5.904 5.989 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.535 -4.554 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.191 -5.164 5.102 1.00 0.00 H new ATOM 175 N VAL A 11 -8.242 -4.795 1.968 1.00 0.00 N ATOM 176 CA VAL A 11 -7.304 -3.678 1.749 1.00 0.00 C ATOM 177 C VAL A 11 -7.544 -2.935 0.424 1.00 0.00 C ATOM 178 O VAL A 11 -7.380 -1.722 0.342 1.00 0.00 O ATOM 179 CB VAL A 11 -5.834 -4.161 1.855 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.531 -4.760 3.246 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.432 -5.136 0.729 1.00 0.00 C ATOM 0 H VAL A 11 -7.813 -5.718 1.909 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.496 -2.957 2.543 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.217 -3.271 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.492 -5.087 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.700 -4.004 4.013 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.186 -5.612 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.392 -5.436 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.071 -6.018 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.548 -4.644 -0.237 1.00 0.00 H new ATOM 191 N CYS A 12 -7.952 -3.689 -0.609 1.00 0.00 N ATOM 192 CA CYS A 12 -8.141 -3.181 -1.993 1.00 0.00 C ATOM 193 C CYS A 12 -8.483 -1.683 -2.134 1.00 0.00 C ATOM 194 O CYS A 12 -7.731 -0.939 -2.761 1.00 0.00 O ATOM 195 CB CYS A 12 -9.246 -4.000 -2.704 1.00 0.00 C ATOM 196 SG CYS A 12 -8.682 -5.483 -3.578 1.00 0.00 S ATOM 0 H CYS A 12 -8.165 -4.682 -0.514 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.161 -3.302 -2.454 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.987 -4.297 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.752 -3.350 -3.418 1.00 0.00 H new ATOM 201 N PRO A 13 -9.600 -1.190 -1.575 1.00 0.00 N ATOM 202 CA PRO A 13 -10.009 0.224 -1.691 1.00 0.00 C ATOM 203 C PRO A 13 -9.038 1.205 -1.016 1.00 0.00 C ATOM 204 O PRO A 13 -8.649 2.239 -1.557 1.00 0.00 O ATOM 205 CB PRO A 13 -11.395 0.259 -1.026 1.00 0.00 C ATOM 206 CG PRO A 13 -11.341 -0.885 -0.025 1.00 0.00 C ATOM 207 CD PRO A 13 -10.574 -1.967 -0.791 1.00 0.00 C ATOM 0 HA PRO A 13 -10.017 0.549 -2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.579 1.214 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.193 0.117 -1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.827 -0.597 0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.338 -1.221 0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.082 -2.667 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.233 -2.552 -1.432 1.00 0.00 H new ATOM 215 N THR A 14 -8.655 0.857 0.214 1.00 0.00 N ATOM 216 CA THR A 14 -7.755 1.695 1.033 1.00 0.00 C ATOM 217 C THR A 14 -6.378 1.894 0.372 1.00 0.00 C ATOM 218 O THR A 14 -5.815 2.987 0.312 1.00 0.00 O ATOM 219 CB THR A 14 -7.587 1.042 2.427 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.877 0.810 3.002 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.775 1.923 3.398 1.00 0.00 C ATOM 0 H THR A 14 -8.952 -0.004 0.674 1.00 0.00 H new ATOM 0 HA THR A 14 -8.207 2.682 1.129 1.00 0.00 H new ATOM 0 HB THR A 14 -7.044 0.108 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.772 0.395 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.687 1.418 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.780 2.096 2.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.283 2.878 3.534 1.00 0.00 H new ATOM 229 N VAL A 15 -5.827 0.778 -0.114 1.00 0.00 N ATOM 230 CA VAL A 15 -4.508 0.762 -0.778 1.00 0.00 C ATOM 231 C VAL A 15 -4.524 1.423 -2.166 1.00 0.00 C ATOM 232 O VAL A 15 -3.548 2.016 -2.626 1.00 0.00 O ATOM 233 CB VAL A 15 -3.965 -0.688 -0.871 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.855 -1.334 0.526 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.771 -1.591 -1.831 1.00 0.00 C ATOM 0 H VAL A 15 -6.274 -0.137 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.839 1.359 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.967 -0.603 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.472 -2.350 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.176 -0.748 1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.840 -1.361 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.333 -2.589 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.805 -1.653 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.744 -1.169 -2.836 1.00 0.00 H new ATOM 245 N GLU A 16 -5.678 1.303 -2.834 1.00 0.00 N ATOM 246 CA GLU A 16 -5.875 1.777 -4.221 1.00 0.00 C ATOM 247 C GLU A 16 -5.274 3.166 -4.523 1.00 0.00 C ATOM 248 O GLU A 16 -4.493 3.294 -5.464 1.00 0.00 O ATOM 249 CB GLU A 16 -7.387 1.781 -4.543 1.00 0.00 C ATOM 250 CG GLU A 16 -7.714 2.194 -5.994 1.00 0.00 C ATOM 251 CD GLU A 16 -9.235 2.195 -6.207 1.00 0.00 C ATOM 252 OE1 GLU A 16 -9.846 1.128 -6.134 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.794 3.266 -6.438 1.00 0.00 O ATOM 0 H GLU A 16 -6.510 0.873 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.331 1.081 -4.859 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.791 0.785 -4.359 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.893 2.462 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.309 3.185 -6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.241 1.505 -6.693 1.00 0.00 H new ATOM 260 N PRO A 17 -5.597 4.231 -3.770 1.00 0.00 N ATOM 261 CA PRO A 17 -5.090 5.590 -4.032 1.00 0.00 C ATOM 262 C PRO A 17 -3.559 5.694 -4.035 1.00 0.00 C ATOM 263 O PRO A 17 -2.942 6.274 -4.927 1.00 0.00 O ATOM 264 CB PRO A 17 -5.707 6.450 -2.914 1.00 0.00 C ATOM 265 CG PRO A 17 -5.999 5.448 -1.808 1.00 0.00 C ATOM 266 CD PRO A 17 -6.479 4.223 -2.592 1.00 0.00 C ATOM 0 HA PRO A 17 -5.371 5.918 -5.033 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.019 7.226 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.615 6.952 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.112 5.228 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.761 5.814 -1.119 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.375 3.305 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.529 4.306 -2.871 1.00 0.00 H new ATOM 274 N TRP A 18 -2.937 5.110 -3.004 1.00 0.00 N ATOM 275 CA TRP A 18 -1.467 5.149 -2.876 1.00 0.00 C ATOM 276 C TRP A 18 -0.773 4.425 -4.038 1.00 0.00 C ATOM 277 O TRP A 18 0.025 4.982 -4.786 1.00 0.00 O ATOM 278 CB TRP A 18 -1.007 4.508 -1.545 1.00 0.00 C ATOM 279 CG TRP A 18 -1.656 5.190 -0.337 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.680 6.564 -0.041 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.321 4.565 0.731 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.321 6.797 1.136 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.726 5.588 1.627 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.602 3.230 1.020 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.421 5.240 2.787 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.298 2.897 2.183 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.710 3.901 3.063 1.00 0.00 C ATOM 0 H TRP A 18 -3.416 4.611 -2.254 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.183 6.201 -2.895 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.260 3.448 -1.544 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.078 4.577 -1.463 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.247 7.332 -0.665 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.472 7.707 1.572 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.281 2.453 0.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.737 6.010 3.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.518 1.863 2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.254 3.641 3.959 1.00 0.00 H new ATOM 298 N ALA A 19 -1.121 3.139 -4.181 1.00 0.00 N ATOM 299 CA ALA A 19 -0.513 2.252 -5.192 1.00 0.00 C ATOM 300 C ALA A 19 -0.629 2.801 -6.619 1.00 0.00 C ATOM 301 O ALA A 19 0.329 2.865 -7.392 1.00 0.00 O ATOM 302 CB ALA A 19 -1.187 0.867 -5.114 1.00 0.00 C ATOM 0 H ALA A 19 -1.828 2.683 -3.604 1.00 0.00 H new ATOM 0 HA ALA A 19 0.551 2.182 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.744 0.204 -5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.040 0.446 -4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.254 0.970 -5.310 1.00 0.00 H new ATOM 308 N LYS A 20 -1.857 3.199 -6.962 1.00 0.00 N ATOM 309 CA LYS A 20 -2.152 3.812 -8.271 1.00 0.00 C ATOM 310 C LYS A 20 -1.268 5.041 -8.516 1.00 0.00 C ATOM 311 O LYS A 20 -0.598 5.188 -9.539 1.00 0.00 O ATOM 312 CB LYS A 20 -3.656 4.184 -8.310 1.00 0.00 C ATOM 313 CG LYS A 20 -4.159 4.796 -9.640 1.00 0.00 C ATOM 314 CD LYS A 20 -3.830 6.298 -9.816 1.00 0.00 C ATOM 315 CE LYS A 20 -4.376 6.879 -11.136 1.00 0.00 C ATOM 316 NZ LYS A 20 -3.741 6.205 -12.279 1.00 0.00 N ATOM 0 H LYS A 20 -2.670 3.109 -6.352 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.932 3.102 -9.068 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.239 3.288 -8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.858 4.892 -7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.722 4.241 -10.470 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.239 4.663 -9.702 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.247 6.857 -8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.749 6.435 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.457 6.749 -11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.181 7.951 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.953 6.728 -13.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.711 6.174 -12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.109 5.236 -12.359 1.00 0.00 H new ATOM 330 N LYS A 21 -1.282 5.943 -7.529 1.00 0.00 N ATOM 331 CA LYS A 21 -0.456 7.166 -7.579 1.00 0.00 C ATOM 332 C LYS A 21 0.948 6.919 -6.994 1.00 0.00 C ATOM 333 O LYS A 21 1.464 7.617 -6.119 1.00 0.00 O ATOM 334 CB LYS A 21 -1.186 8.292 -6.809 1.00 0.00 C ATOM 335 CG LYS A 21 -2.598 8.559 -7.371 1.00 0.00 C ATOM 336 CD LYS A 21 -3.325 9.707 -6.641 1.00 0.00 C ATOM 337 CE LYS A 21 -4.754 9.938 -7.178 1.00 0.00 C ATOM 338 NZ LYS A 21 -4.703 10.289 -8.605 1.00 0.00 N ATOM 0 H LYS A 21 -1.851 5.855 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.319 7.463 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.261 8.021 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.597 9.207 -6.861 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.522 8.799 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.194 7.650 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.373 9.483 -5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.747 10.625 -6.748 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.354 9.039 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.238 10.736 -6.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.634 10.639 -8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.989 11.030 -8.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.451 9.447 -9.161 1.00 0.00 H new ATOM 352 N CYS A 22 1.579 5.870 -7.532 1.00 0.00 N ATOM 353 CA CYS A 22 2.936 5.456 -7.128 1.00 0.00 C ATOM 354 C CYS A 22 3.495 4.415 -8.115 1.00 0.00 C ATOM 355 O CYS A 22 2.804 3.858 -8.971 1.00 0.00 O ATOM 356 CB CYS A 22 2.886 4.879 -5.691 1.00 0.00 C ATOM 357 SG CYS A 22 4.506 4.364 -5.078 1.00 0.00 S ATOM 0 H CYS A 22 1.169 5.283 -8.258 1.00 0.00 H new ATOM 0 HA CYS A 22 3.599 6.321 -7.142 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.471 5.630 -5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.209 4.025 -5.672 1.00 0.00 H new ATOM 362 N SER A 23 4.796 4.143 -7.972 1.00 0.00 N ATOM 363 CA SER A 23 5.517 3.260 -8.910 1.00 0.00 C ATOM 364 C SER A 23 6.565 2.389 -8.201 1.00 0.00 C ATOM 365 O SER A 23 6.762 2.409 -6.985 1.00 0.00 O ATOM 366 CB SER A 23 6.215 4.139 -9.975 1.00 0.00 C ATOM 367 OG SER A 23 5.240 4.898 -10.697 1.00 0.00 O ATOM 0 H SER A 23 5.375 4.518 -7.220 1.00 0.00 H new ATOM 0 HA SER A 23 4.793 2.587 -9.369 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.928 4.810 -9.495 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.782 3.511 -10.663 1.00 0.00 H new ATOM 0 HG SER A 23 5.689 5.453 -11.368 1.00 0.00 H new ATOM 373 N GLY A 24 7.251 1.588 -9.024 1.00 0.00 N ATOM 374 CA GLY A 24 8.300 0.670 -8.549 1.00 0.00 C ATOM 375 C GLY A 24 7.840 -0.790 -8.541 1.00 0.00 C ATOM 376 O GLY A 24 6.696 -1.149 -8.822 1.00 0.00 O ATOM 0 H GLY A 24 7.098 1.555 -10.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.179 0.767 -9.186 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.602 0.958 -7.542 1.00 0.00 H new ATOM 380 N ASP A 25 8.801 -1.650 -8.195 1.00 0.00 N ATOM 381 CA ASP A 25 8.581 -3.109 -8.150 1.00 0.00 C ATOM 382 C ASP A 25 7.454 -3.489 -7.183 1.00 0.00 C ATOM 383 O ASP A 25 6.553 -4.274 -7.476 1.00 0.00 O ATOM 384 CB ASP A 25 9.883 -3.826 -7.720 1.00 0.00 C ATOM 385 CG ASP A 25 10.997 -3.620 -8.760 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.514 -2.508 -8.869 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.333 -4.577 -9.456 1.00 0.00 O ATOM 0 H ASP A 25 9.746 -1.365 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 25 8.290 -3.425 -9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.209 -3.445 -6.752 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.691 -4.892 -7.594 1.00 0.00 H new ATOM 392 N ILE A 26 7.536 -2.903 -5.986 1.00 0.00 N ATOM 393 CA ILE A 26 6.543 -3.152 -4.925 1.00 0.00 C ATOM 394 C ILE A 26 5.139 -2.704 -5.356 1.00 0.00 C ATOM 395 O ILE A 26 4.151 -3.422 -5.223 1.00 0.00 O ATOM 396 CB ILE A 26 6.949 -2.415 -3.625 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.412 -2.693 -3.200 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.965 -2.757 -2.483 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.713 -4.177 -2.906 1.00 0.00 C ATOM 0 H ILE A 26 8.277 -2.253 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 26 6.519 -4.226 -4.741 1.00 0.00 H new ATOM 0 HB ILE A 26 6.893 -1.347 -3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.080 -2.348 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.638 -2.105 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.264 -2.232 -1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.958 -2.449 -2.766 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.978 -3.832 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.758 -4.286 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.073 -4.524 -2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.521 -4.771 -3.799 1.00 0.00 H new ATOM 411 N ALA A 27 5.062 -1.476 -5.879 1.00 0.00 N ATOM 412 CA ALA A 27 3.784 -0.904 -6.355 1.00 0.00 C ATOM 413 C ALA A 27 3.077 -1.822 -7.361 1.00 0.00 C ATOM 414 O ALA A 27 1.877 -2.092 -7.296 1.00 0.00 O ATOM 415 CB ALA A 27 4.049 0.470 -7.004 1.00 0.00 C ATOM 0 H ALA A 27 5.864 -0.855 -5.986 1.00 0.00 H new ATOM 0 HA ALA A 27 3.126 -0.796 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.108 0.894 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.496 1.139 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.730 0.349 -7.846 1.00 0.00 H new ATOM 421 N THR A 28 3.871 -2.309 -8.321 1.00 0.00 N ATOM 422 CA THR A 28 3.389 -3.238 -9.361 1.00 0.00 C ATOM 423 C THR A 28 2.817 -4.528 -8.755 1.00 0.00 C ATOM 424 O THR A 28 1.737 -5.011 -9.098 1.00 0.00 O ATOM 425 CB THR A 28 4.561 -3.574 -10.316 1.00 0.00 C ATOM 426 OG1 THR A 28 5.043 -2.368 -10.915 1.00 0.00 O ATOM 427 CG2 THR A 28 4.171 -4.559 -11.438 1.00 0.00 C ATOM 0 H THR A 28 4.860 -2.075 -8.403 1.00 0.00 H new ATOM 0 HA THR A 28 2.582 -2.753 -9.909 1.00 0.00 H new ATOM 0 HB THR A 28 5.329 -4.056 -9.711 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.611 -1.889 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.038 -4.751 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.828 -5.495 -10.997 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.371 -4.127 -12.040 1.00 0.00 H new ATOM 435 N TYR A 29 3.592 -5.097 -7.825 1.00 0.00 N ATOM 436 CA TYR A 29 3.215 -6.347 -7.141 1.00 0.00 C ATOM 437 C TYR A 29 1.859 -6.229 -6.432 1.00 0.00 C ATOM 438 O TYR A 29 0.931 -7.007 -6.642 1.00 0.00 O ATOM 439 CB TYR A 29 4.344 -6.732 -6.151 1.00 0.00 C ATOM 440 CG TYR A 29 4.051 -7.961 -5.315 1.00 0.00 C ATOM 441 CD1 TYR A 29 3.169 -7.884 -4.232 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.644 -9.184 -5.642 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.881 -9.024 -3.482 1.00 0.00 C ATOM 444 CE2 TYR A 29 4.349 -10.326 -4.894 1.00 0.00 C ATOM 445 CZ TYR A 29 3.466 -10.248 -3.815 1.00 0.00 C ATOM 446 OH TYR A 29 3.166 -11.379 -3.084 1.00 0.00 O ATOM 0 H TYR A 29 4.488 -4.713 -7.525 1.00 0.00 H new ATOM 0 HA TYR A 29 3.098 -7.136 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.262 -6.901 -6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.529 -5.890 -5.484 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.710 -6.940 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.331 -9.246 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.205 -8.960 -2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.805 -11.271 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 29 2.194 -11.458 -2.988 1.00 0.00 H new ATOM 456 N ILE A 30 1.759 -5.204 -5.582 1.00 0.00 N ATOM 457 CA ILE A 30 0.532 -4.900 -4.819 1.00 0.00 C ATOM 458 C ILE A 30 -0.695 -4.756 -5.730 1.00 0.00 C ATOM 459 O ILE A 30 -1.799 -5.222 -5.444 1.00 0.00 O ATOM 460 CB ILE A 30 0.758 -3.596 -4.013 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.884 -3.794 -2.970 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.539 -3.089 -3.336 1.00 0.00 C ATOM 463 CD1 ILE A 30 2.312 -2.486 -2.276 1.00 0.00 C ATOM 0 H ILE A 30 2.525 -4.556 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 30 0.329 -5.733 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 30 1.065 -2.826 -4.721 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.549 -4.505 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.751 -4.236 -3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.327 -2.173 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.292 -2.888 -4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.912 -3.849 -2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.104 -2.698 -1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.678 -1.781 -3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.457 -2.053 -1.756 1.00 0.00 H new ATOM 475 N LYS A 31 -0.474 -4.068 -6.855 1.00 0.00 N ATOM 476 CA LYS A 31 -1.531 -3.849 -7.861 1.00 0.00 C ATOM 477 C LYS A 31 -2.152 -5.187 -8.297 1.00 0.00 C ATOM 478 O LYS A 31 -3.367 -5.361 -8.404 1.00 0.00 O ATOM 479 CB LYS A 31 -0.916 -3.135 -9.088 1.00 0.00 C ATOM 480 CG LYS A 31 -1.956 -2.432 -9.990 1.00 0.00 C ATOM 481 CD LYS A 31 -2.281 -0.980 -9.560 1.00 0.00 C ATOM 482 CE LYS A 31 -2.826 -0.834 -8.124 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.130 0.579 -7.856 1.00 0.00 N ATOM 0 H LYS A 31 0.425 -3.651 -7.096 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.317 -3.233 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.192 -2.397 -8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.367 -3.865 -9.683 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.586 -2.423 -11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.877 -3.015 -9.989 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.377 -0.378 -9.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.012 -0.566 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.724 -1.440 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.093 -1.202 -7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.529 0.673 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.257 1.141 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.819 0.924 -8.554 1.00 0.00 H new ATOM 497 N ARG A 32 -1.263 -6.153 -8.549 1.00 0.00 N ATOM 498 CA ARG A 32 -1.673 -7.528 -8.890 1.00 0.00 C ATOM 499 C ARG A 32 -2.453 -8.197 -7.748 1.00 0.00 C ATOM 500 O ARG A 32 -3.481 -8.839 -7.948 1.00 0.00 O ATOM 501 CB ARG A 32 -0.426 -8.378 -9.233 1.00 0.00 C ATOM 502 CG ARG A 32 -0.793 -9.805 -9.698 1.00 0.00 C ATOM 503 CD ARG A 32 0.442 -10.684 -9.977 1.00 0.00 C ATOM 504 NE ARG A 32 -0.014 -12.025 -10.384 1.00 0.00 N ATOM 505 CZ ARG A 32 0.836 -13.028 -10.612 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.154 -12.855 -10.517 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.357 -14.222 -10.944 1.00 0.00 N ATOM 0 H ARG A 32 -0.253 -6.013 -8.524 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.334 -7.468 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.145 -7.880 -10.016 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.220 -8.439 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.407 -10.283 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.399 -9.742 -10.602 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.053 -10.238 -10.762 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.067 -10.752 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.014 -12.192 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.532 -11.941 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.785 -13.636 -10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.650 -14.364 -11.022 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.996 -14.997 -11.121 1.00 0.00 H new ATOM 521 N GLU A 33 -1.942 -8.040 -6.519 1.00 0.00 N ATOM 522 CA GLU A 33 -2.526 -8.714 -5.340 1.00 0.00 C ATOM 523 C GLU A 33 -4.036 -8.480 -5.207 1.00 0.00 C ATOM 524 O GLU A 33 -4.840 -9.406 -5.098 1.00 0.00 O ATOM 525 CB GLU A 33 -1.835 -8.251 -4.038 1.00 0.00 C ATOM 526 CG GLU A 33 -0.315 -8.507 -3.968 1.00 0.00 C ATOM 527 CD GLU A 33 0.011 -9.977 -4.273 1.00 0.00 C ATOM 528 OE1 GLU A 33 0.160 -10.316 -5.446 1.00 0.00 O ATOM 529 OE2 GLU A 33 0.103 -10.766 -3.334 1.00 0.00 O ATOM 0 H GLU A 33 -1.131 -7.457 -6.311 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.359 -9.780 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.012 -7.183 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.310 -8.754 -3.196 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.199 -7.862 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.056 -8.247 -2.977 1.00 0.00 H new ATOM 536 N CYS A 34 -4.414 -7.199 -5.210 1.00 0.00 N ATOM 537 CA CYS A 34 -5.838 -6.821 -5.165 1.00 0.00 C ATOM 538 C CYS A 34 -6.591 -7.272 -6.427 1.00 0.00 C ATOM 539 O CYS A 34 -7.570 -8.020 -6.385 1.00 0.00 O ATOM 540 CB CYS A 34 -5.972 -5.288 -5.000 1.00 0.00 C ATOM 541 SG CYS A 34 -7.693 -4.755 -5.184 1.00 0.00 S ATOM 0 H CYS A 34 -3.767 -6.411 -5.243 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.285 -7.327 -4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.600 -4.992 -4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.352 -4.785 -5.742 1.00 0.00 H new ATOM 546 N GLY A 35 -6.096 -6.803 -7.578 1.00 0.00 N ATOM 547 CA GLY A 35 -6.774 -7.027 -8.870 1.00 0.00 C ATOM 548 C GLY A 35 -6.817 -8.506 -9.267 1.00 0.00 C ATOM 549 O GLY A 35 -7.849 -9.180 -9.233 1.00 0.00 O ATOM 0 H GLY A 35 -5.231 -6.267 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.792 -6.641 -8.813 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.261 -6.461 -9.648 1.00 0.00 H new ATOM 553 N LYS A 36 -5.646 -9.008 -9.668 1.00 0.00 N ATOM 554 CA LYS A 36 -5.481 -10.434 -10.005 1.00 0.00 C ATOM 555 C LYS A 36 -5.273 -11.242 -8.711 1.00 0.00 C ATOM 556 O LYS A 36 -4.176 -11.621 -8.302 1.00 0.00 O ATOM 557 CB LYS A 36 -4.285 -10.600 -10.980 1.00 0.00 C ATOM 558 CG LYS A 36 -4.329 -11.907 -11.813 1.00 0.00 C ATOM 559 CD LYS A 36 -4.247 -13.217 -10.999 1.00 0.00 C ATOM 560 CE LYS A 36 -2.873 -13.422 -10.329 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.922 -14.590 -9.440 1.00 0.00 N ATOM 0 H LYS A 36 -4.796 -8.453 -9.769 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.375 -10.812 -10.501 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.262 -9.748 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.357 -10.576 -10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.252 -11.917 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.505 -11.891 -12.526 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.022 -13.212 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.455 -14.061 -11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.105 -13.564 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.599 -12.533 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.994 -14.724 -8.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.643 -14.438 -8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.164 -15.437 -9.993 1.00 0.00 H new ATOM 666 N VAL B 5 -5.617 -6.541 10.234 1.00 0.00 N ATOM 667 CA VAL B 5 -5.377 -6.223 8.811 1.00 0.00 C ATOM 668 C VAL B 5 -4.300 -5.140 8.638 1.00 0.00 C ATOM 669 O VAL B 5 -3.467 -5.171 7.735 1.00 0.00 O ATOM 670 CB VAL B 5 -6.699 -5.772 8.134 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.516 -5.459 6.632 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.836 -6.799 8.338 1.00 0.00 C ATOM 0 HA VAL B 5 -5.012 -7.130 8.329 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.988 -4.846 8.631 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.470 -5.148 6.206 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.787 -4.657 6.514 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.161 -6.351 6.115 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.741 -6.442 7.847 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.543 -7.756 7.907 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.026 -6.924 9.404 1.00 0.00 H new ATOM 682 N LYS B 6 -4.344 -4.157 9.541 1.00 0.00 N ATOM 683 CA LYS B 6 -3.394 -3.027 9.553 1.00 0.00 C ATOM 684 C LYS B 6 -1.942 -3.513 9.688 1.00 0.00 C ATOM 685 O LYS B 6 -1.034 -3.128 8.952 1.00 0.00 O ATOM 686 CB LYS B 6 -3.792 -2.116 10.732 1.00 0.00 C ATOM 687 CG LYS B 6 -3.091 -0.741 10.806 1.00 0.00 C ATOM 688 CD LYS B 6 -1.592 -0.759 11.167 1.00 0.00 C ATOM 689 CE LYS B 6 -1.285 -1.458 12.507 1.00 0.00 C ATOM 690 NZ LYS B 6 0.159 -1.379 12.766 1.00 0.00 N ATOM 0 H LYS B 6 -5.038 -4.116 10.288 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.442 -2.480 8.612 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.868 -1.949 10.686 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.592 -2.652 11.660 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -3.205 -0.246 9.842 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.613 -0.129 11.542 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.042 -1.261 10.371 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.225 0.267 11.210 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -1.839 -0.982 13.316 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -1.605 -2.499 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 0.367 -1.788 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 0.673 -1.909 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 0.461 -0.384 12.749 1.00 0.00 H new ATOM 704 N LEU B 7 -1.728 -4.387 10.677 1.00 0.00 N ATOM 705 CA LEU B 7 -0.412 -5.021 10.894 1.00 0.00 C ATOM 706 C LEU B 7 0.087 -5.772 9.649 1.00 0.00 C ATOM 707 O LEU B 7 1.255 -5.734 9.263 1.00 0.00 O ATOM 708 CB LEU B 7 -0.509 -6.007 12.079 1.00 0.00 C ATOM 709 CG LEU B 7 -0.765 -5.312 13.436 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.147 -6.344 14.519 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.465 -4.493 13.889 1.00 0.00 C ATOM 0 H LEU B 7 -2.445 -4.675 11.343 1.00 0.00 H new ATOM 0 HA LEU B 7 0.304 -4.228 11.110 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.312 -6.718 11.886 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.416 -6.581 12.142 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.600 -4.624 13.299 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.322 -5.831 15.465 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.053 -6.869 14.218 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.335 -7.061 14.640 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.253 -4.017 14.846 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.324 -5.155 13.996 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.687 -3.728 13.145 1.00 0.00 H new ATOM 723 N THR B 8 -0.847 -6.489 9.019 1.00 0.00 N ATOM 724 CA THR B 8 -0.548 -7.288 7.815 1.00 0.00 C ATOM 725 C THR B 8 -0.090 -6.413 6.634 1.00 0.00 C ATOM 726 O THR B 8 0.876 -6.697 5.922 1.00 0.00 O ATOM 727 CB THR B 8 -1.807 -8.098 7.424 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.227 -8.894 8.537 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.567 -9.030 6.220 1.00 0.00 C ATOM 0 H THR B 8 -1.821 -6.536 9.319 1.00 0.00 H new ATOM 0 HA THR B 8 0.277 -7.961 8.049 1.00 0.00 H new ATOM 0 HB THR B 8 -2.573 -7.376 7.142 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.025 -9.406 8.290 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.484 -9.572 5.991 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.270 -8.437 5.355 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.776 -9.740 6.462 1.00 0.00 H new ATOM 737 N ILE B 9 -0.827 -5.318 6.429 1.00 0.00 N ATOM 738 CA ILE B 9 -0.602 -4.416 5.282 1.00 0.00 C ATOM 739 C ILE B 9 0.583 -3.447 5.489 1.00 0.00 C ATOM 740 O ILE B 9 1.147 -2.894 4.546 1.00 0.00 O ATOM 741 CB ILE B 9 -1.915 -3.645 4.972 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.874 -2.905 3.617 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.288 -2.655 6.095 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.692 -3.838 2.401 1.00 0.00 C ATOM 0 H ILE B 9 -1.589 -5.029 7.042 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.325 -5.032 4.427 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.688 -4.411 4.911 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.798 -2.340 3.494 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.058 -2.182 3.633 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.212 -2.140 5.834 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.428 -3.200 7.029 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.488 -1.925 6.217 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.673 -3.245 1.487 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.754 -4.384 2.499 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.521 -4.545 2.358 1.00 0.00 H new ATOM 756 N CYS B 10 0.947 -3.229 6.762 1.00 0.00 N ATOM 757 CA CYS B 10 2.071 -2.341 7.138 1.00 0.00 C ATOM 758 C CYS B 10 3.318 -2.504 6.251 1.00 0.00 C ATOM 759 O CYS B 10 3.725 -1.555 5.579 1.00 0.00 O ATOM 760 CB CYS B 10 2.466 -2.599 8.613 1.00 0.00 C ATOM 761 SG CYS B 10 1.664 -1.514 9.821 1.00 0.00 S ATOM 0 H CYS B 10 0.477 -3.658 7.559 1.00 0.00 H new ATOM 0 HA CYS B 10 1.713 -1.321 6.995 1.00 0.00 H new ATOM 0 HB2 CYS B 10 2.228 -3.633 8.862 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.546 -2.489 8.709 1.00 0.00 H new ATOM 766 N PRO B 11 3.952 -3.687 6.197 1.00 0.00 N ATOM 767 CA PRO B 11 5.177 -3.917 5.406 1.00 0.00 C ATOM 768 C PRO B 11 4.980 -3.696 3.901 1.00 0.00 C ATOM 769 O PRO B 11 5.821 -3.146 3.190 1.00 0.00 O ATOM 770 CB PRO B 11 5.544 -5.382 5.710 1.00 0.00 C ATOM 771 CG PRO B 11 4.207 -6.018 6.064 1.00 0.00 C ATOM 772 CD PRO B 11 3.520 -4.918 6.880 1.00 0.00 C ATOM 0 HA PRO B 11 5.960 -3.209 5.676 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.004 -5.867 4.849 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.254 -5.455 6.534 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.635 -6.280 5.174 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.334 -6.933 6.643 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.435 -5.026 6.872 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.834 -4.933 7.924 1.00 0.00 H new ATOM 780 N THR B 12 3.821 -4.153 3.418 1.00 0.00 N ATOM 781 CA THR B 12 3.462 -4.061 1.991 1.00 0.00 C ATOM 782 C THR B 12 3.524 -2.613 1.477 1.00 0.00 C ATOM 783 O THR B 12 4.286 -2.249 0.580 1.00 0.00 O ATOM 784 CB THR B 12 2.031 -4.633 1.816 1.00 0.00 C ATOM 785 OG1 THR B 12 1.999 -5.985 2.285 1.00 0.00 O ATOM 786 CG2 THR B 12 1.530 -4.604 0.358 1.00 0.00 C ATOM 0 H THR B 12 3.107 -4.595 3.997 1.00 0.00 H new ATOM 0 HA THR B 12 4.180 -4.635 1.405 1.00 0.00 H new ATOM 0 HB THR B 12 1.369 -3.992 2.398 1.00 0.00 H new ATOM 0 HG1 THR B 12 1.585 -6.557 1.606 1.00 0.00 H new ATOM 0 HG21 THR B 12 0.523 -5.019 0.311 1.00 0.00 H new ATOM 0 HG22 THR B 12 1.516 -3.575 -0.001 1.00 0.00 H new ATOM 0 HG23 THR B 12 2.197 -5.198 -0.268 1.00 0.00 H new ATOM 794 N LEU B 13 2.698 -1.768 2.098 1.00 0.00 N ATOM 795 CA LEU B 13 2.600 -0.346 1.723 1.00 0.00 C ATOM 796 C LEU B 13 3.878 0.452 2.009 1.00 0.00 C ATOM 797 O LEU B 13 4.231 1.388 1.297 1.00 0.00 O ATOM 798 CB LEU B 13 1.414 0.313 2.456 1.00 0.00 C ATOM 799 CG LEU B 13 0.037 -0.274 2.078 1.00 0.00 C ATOM 800 CD1 LEU B 13 -1.066 0.343 2.964 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.285 -0.071 0.581 1.00 0.00 C ATOM 0 H LEU B 13 2.084 -2.040 2.865 1.00 0.00 H new ATOM 0 HA LEU B 13 2.446 -0.326 0.644 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.560 0.206 3.531 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.414 1.381 2.239 1.00 0.00 H new ATOM 0 HG LEU B 13 0.074 -1.349 2.255 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -2.033 -0.079 2.688 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.859 0.121 4.011 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.087 1.423 2.820 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -1.262 -0.499 0.358 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.294 0.995 0.352 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.474 -0.566 -0.025 1.00 0.00 H new ATOM 813 N LYS B 14 4.562 0.095 3.101 1.00 0.00 N ATOM 814 CA LYS B 14 5.840 0.742 3.464 1.00 0.00 C ATOM 815 C LYS B 14 6.904 0.627 2.365 1.00 0.00 C ATOM 816 O LYS B 14 7.545 1.592 1.949 1.00 0.00 O ATOM 817 CB LYS B 14 6.386 0.137 4.778 1.00 0.00 C ATOM 818 CG LYS B 14 5.773 0.764 6.049 1.00 0.00 C ATOM 819 CD LYS B 14 6.027 2.283 6.212 1.00 0.00 C ATOM 820 CE LYS B 14 7.515 2.706 6.157 1.00 0.00 C ATOM 821 NZ LYS B 14 8.010 2.686 4.771 1.00 0.00 N ATOM 0 H LYS B 14 4.260 -0.633 3.749 1.00 0.00 H new ATOM 0 HA LYS B 14 5.627 1.803 3.596 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.192 -0.936 4.782 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.468 0.265 4.805 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.697 0.589 6.041 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.173 0.247 6.921 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.485 2.813 5.429 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.608 2.606 7.165 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.630 3.706 6.575 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.113 2.033 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.669 3.477 4.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 8.502 1.788 4.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 7.209 2.779 4.115 1.00 0.00 H new ATOM 835 N SER B 15 7.094 -0.609 1.902 1.00 0.00 N ATOM 836 CA SER B 15 8.038 -0.891 0.802 1.00 0.00 C ATOM 837 C SER B 15 7.685 -0.097 -0.465 1.00 0.00 C ATOM 838 O SER B 15 8.526 0.458 -1.172 1.00 0.00 O ATOM 839 CB SER B 15 8.034 -2.406 0.504 1.00 0.00 C ATOM 840 OG SER B 15 8.492 -3.121 1.655 1.00 0.00 O ATOM 0 H SER B 15 6.613 -1.432 2.265 1.00 0.00 H new ATOM 0 HA SER B 15 9.035 -0.578 1.114 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.029 -2.732 0.237 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.676 -2.621 -0.350 1.00 0.00 H new ATOM 0 HG SER B 15 7.752 -3.231 2.288 1.00 0.00 H new ATOM 846 N MET B 16 6.380 -0.050 -0.745 1.00 0.00 N ATOM 847 CA MET B 16 5.850 0.721 -1.884 1.00 0.00 C ATOM 848 C MET B 16 6.169 2.218 -1.749 1.00 0.00 C ATOM 849 O MET B 16 6.620 2.894 -2.673 1.00 0.00 O ATOM 850 CB MET B 16 4.323 0.508 -1.950 1.00 0.00 C ATOM 851 CG MET B 16 3.680 1.099 -3.221 1.00 0.00 C ATOM 852 SD MET B 16 1.894 0.812 -3.282 1.00 0.00 S ATOM 853 CE MET B 16 1.339 1.854 -1.909 1.00 0.00 C ATOM 0 H MET B 16 5.667 -0.535 -0.201 1.00 0.00 H new ATOM 0 HA MET B 16 6.323 0.370 -2.801 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.110 -0.560 -1.906 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.861 0.962 -1.073 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.875 2.171 -3.260 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.147 0.657 -4.101 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.250 1.899 -1.903 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.690 1.432 -0.967 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.743 2.859 -2.029 1.00 0.00 H new ATOM 863 N ALA B 17 5.952 2.713 -0.525 1.00 0.00 N ATOM 864 CA ALA B 17 6.087 4.143 -0.180 1.00 0.00 C ATOM 865 C ALA B 17 7.457 4.729 -0.542 1.00 0.00 C ATOM 866 O ALA B 17 7.620 5.927 -0.777 1.00 0.00 O ATOM 867 CB ALA B 17 5.835 4.333 1.330 1.00 0.00 C ATOM 0 H ALA B 17 5.675 2.131 0.265 1.00 0.00 H new ATOM 0 HA ALA B 17 5.345 4.680 -0.771 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.934 5.388 1.586 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.829 3.993 1.577 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.563 3.752 1.896 1.00 0.00 H new ATOM 873 N LYS B 18 8.465 3.849 -0.558 1.00 0.00 N ATOM 874 CA LYS B 18 9.833 4.238 -0.952 1.00 0.00 C ATOM 875 C LYS B 18 9.847 4.966 -2.304 1.00 0.00 C ATOM 876 O LYS B 18 10.282 6.111 -2.430 1.00 0.00 O ATOM 877 CB LYS B 18 10.740 2.987 -1.026 1.00 0.00 C ATOM 878 CG LYS B 18 10.876 2.256 0.328 1.00 0.00 C ATOM 879 CD LYS B 18 11.905 1.104 0.291 1.00 0.00 C ATOM 880 CE LYS B 18 11.536 -0.029 -0.689 1.00 0.00 C ATOM 881 NZ LYS B 18 12.606 -1.036 -0.700 1.00 0.00 N ATOM 0 H LYS B 18 8.365 2.866 -0.305 1.00 0.00 H new ATOM 0 HA LYS B 18 10.213 4.923 -0.194 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.336 2.296 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.730 3.283 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.169 2.974 1.094 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.904 1.858 0.619 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.879 1.508 0.015 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.006 0.687 1.293 1.00 0.00 H new ATOM 0 HE2 LYS B 18 10.593 -0.488 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.392 0.375 -1.691 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.357 -1.800 -1.361 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.497 -0.593 -1.003 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.722 -1.429 0.256 1.00 0.00 H new ATOM 895 N LYS B 19 9.345 4.276 -3.337 1.00 0.00 N ATOM 896 CA LYS B 19 9.216 4.892 -4.672 1.00 0.00 C ATOM 897 C LYS B 19 7.791 5.435 -4.908 1.00 0.00 C ATOM 898 O LYS B 19 7.160 5.273 -5.953 1.00 0.00 O ATOM 899 CB LYS B 19 9.640 3.868 -5.755 1.00 0.00 C ATOM 900 CG LYS B 19 9.803 4.508 -7.158 1.00 0.00 C ATOM 901 CD LYS B 19 10.367 3.539 -8.220 1.00 0.00 C ATOM 902 CE LYS B 19 11.796 3.037 -7.912 1.00 0.00 C ATOM 903 NZ LYS B 19 12.722 4.177 -7.847 1.00 0.00 N ATOM 0 H LYS B 19 9.026 3.309 -3.281 1.00 0.00 H new ATOM 0 HA LYS B 19 9.882 5.752 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.582 3.404 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS B 19 8.896 3.073 -5.808 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.834 4.877 -7.494 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.464 5.371 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.701 2.680 -8.305 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.369 4.038 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.805 2.495 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.120 2.338 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.701 3.828 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.587 4.782 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.533 4.729 -6.986 1.00 0.00 H new ATOM 917 N CYS B 20 7.276 6.103 -3.871 1.00 0.00 N ATOM 918 CA CYS B 20 6.040 6.903 -3.984 1.00 0.00 C ATOM 919 C CYS B 20 6.356 8.394 -3.806 1.00 0.00 C ATOM 920 O CYS B 20 7.490 8.824 -3.583 1.00 0.00 O ATOM 921 CB CYS B 20 4.985 6.467 -2.938 1.00 0.00 C ATOM 922 SG CYS B 20 4.461 4.740 -3.094 1.00 0.00 S ATOM 0 H CYS B 20 7.693 6.109 -2.940 1.00 0.00 H new ATOM 0 HA CYS B 20 5.626 6.733 -4.978 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.393 6.623 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.110 7.111 -3.029 1.00 0.00 H new ATOM 927 N GLU B 21 5.301 9.203 -3.917 1.00 0.00 N ATOM 928 CA GLU B 21 5.419 10.664 -3.744 1.00 0.00 C ATOM 929 C GLU B 21 5.827 11.039 -2.313 1.00 0.00 C ATOM 930 O GLU B 21 5.862 10.233 -1.382 1.00 0.00 O ATOM 931 CB GLU B 21 4.054 11.312 -4.058 1.00 0.00 C ATOM 932 CG GLU B 21 3.568 11.035 -5.500 1.00 0.00 C ATOM 933 CD GLU B 21 2.162 11.614 -5.713 1.00 0.00 C ATOM 934 OE1 GLU B 21 1.995 12.828 -5.596 1.00 0.00 O ATOM 935 OE2 GLU B 21 1.247 10.843 -5.996 1.00 0.00 O ATOM 0 H GLU B 21 4.356 8.880 -4.125 1.00 0.00 H new ATOM 0 HA GLU B 21 6.193 11.025 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.311 10.940 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.126 12.389 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.262 11.477 -6.215 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.558 9.961 -5.687 1.00 0.00 H new ATOM 942 N GLY B 22 6.146 12.325 -2.147 1.00 0.00 N ATOM 943 CA GLY B 22 6.462 12.876 -0.816 1.00 0.00 C ATOM 944 C GLY B 22 5.257 12.747 0.123 1.00 0.00 C ATOM 945 O GLY B 22 5.307 12.188 1.217 1.00 0.00 O ATOM 0 H GLY B 22 6.194 13.004 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY B 22 7.317 12.350 -0.393 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.747 13.924 -0.909 1.00 0.00 H new ATOM 949 N SER B 23 4.137 13.289 -0.364 1.00 0.00 N ATOM 950 CA SER B 23 2.856 13.245 0.364 1.00 0.00 C ATOM 951 C SER B 23 2.386 11.803 0.603 1.00 0.00 C ATOM 952 O SER B 23 2.147 11.365 1.726 1.00 0.00 O ATOM 953 CB SER B 23 1.790 14.021 -0.444 1.00 0.00 C ATOM 954 OG SER B 23 0.556 14.047 0.277 1.00 0.00 O ATOM 0 H SER B 23 4.087 13.767 -1.264 1.00 0.00 H new ATOM 0 HA SER B 23 2.999 13.707 1.341 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.133 15.038 -0.632 1.00 0.00 H new ATOM 0 HB3 SER B 23 1.643 13.550 -1.416 1.00 0.00 H new ATOM 0 HG SER B 23 -0.114 14.541 -0.239 1.00 0.00 H new ATOM 960 N ILE B 24 2.277 11.052 -0.501 1.00 0.00 N ATOM 961 CA ILE B 24 1.786 9.658 -0.467 1.00 0.00 C ATOM 962 C ILE B 24 2.530 8.798 0.562 1.00 0.00 C ATOM 963 O ILE B 24 1.942 8.102 1.388 1.00 0.00 O ATOM 964 CB ILE B 24 1.893 9.033 -1.887 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.999 9.762 -2.921 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.617 7.510 -1.903 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.509 9.717 -2.595 1.00 0.00 C ATOM 0 H ILE B 24 2.522 11.383 -1.434 1.00 0.00 H new ATOM 0 HA ILE B 24 0.742 9.681 -0.155 1.00 0.00 H new ATOM 0 HB ILE B 24 2.932 9.174 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.314 10.803 -2.987 1.00 0.00 H new ATOM 0 HG13 ILE B 24 1.161 9.317 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.707 7.135 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.340 7.003 -1.264 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.609 7.319 -1.534 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.064 10.250 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.843 8.680 -2.558 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.687 10.190 -1.629 1.00 0.00 H new ATOM 979 N ALA B 25 3.862 8.866 0.503 1.00 0.00 N ATOM 980 CA ALA B 25 4.730 8.107 1.426 1.00 0.00 C ATOM 981 C ALA B 25 4.400 8.373 2.905 1.00 0.00 C ATOM 982 O ALA B 25 4.270 7.472 3.733 1.00 0.00 O ATOM 983 CB ALA B 25 6.204 8.469 1.154 1.00 0.00 C ATOM 0 H ALA B 25 4.370 9.437 -0.172 1.00 0.00 H new ATOM 0 HA ALA B 25 4.553 7.047 1.242 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.847 7.910 1.834 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.457 8.215 0.125 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.351 9.538 1.311 1.00 0.00 H new ATOM 989 N THR B 26 4.265 9.664 3.227 1.00 0.00 N ATOM 990 CA THR B 26 3.961 10.102 4.604 1.00 0.00 C ATOM 991 C THR B 26 2.613 9.557 5.103 1.00 0.00 C ATOM 992 O THR B 26 2.472 9.048 6.215 1.00 0.00 O ATOM 993 CB THR B 26 3.960 11.650 4.675 1.00 0.00 C ATOM 994 OG1 THR B 26 5.214 12.145 4.196 1.00 0.00 O ATOM 995 CG2 THR B 26 3.742 12.179 6.110 1.00 0.00 C ATOM 0 H THR B 26 4.360 10.427 2.557 1.00 0.00 H new ATOM 0 HA THR B 26 4.738 9.700 5.254 1.00 0.00 H new ATOM 0 HB THR B 26 3.132 11.999 4.058 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.219 12.130 3.216 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.750 13.269 6.101 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.781 11.827 6.486 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.540 11.815 6.757 1.00 0.00 H new ATOM 1003 N MET B 27 1.597 9.690 4.245 1.00 0.00 N ATOM 1004 CA MET B 27 0.230 9.232 4.565 1.00 0.00 C ATOM 1005 C MET B 27 0.180 7.732 4.870 1.00 0.00 C ATOM 1006 O MET B 27 -0.394 7.274 5.858 1.00 0.00 O ATOM 1007 CB MET B 27 -0.732 9.559 3.402 1.00 0.00 C ATOM 1008 CG MET B 27 -0.893 11.066 3.101 1.00 0.00 C ATOM 1009 SD MET B 27 -1.450 12.051 4.518 1.00 0.00 S ATOM 1010 CE MET B 27 0.130 12.509 5.283 1.00 0.00 C ATOM 0 H MET B 27 1.690 10.111 3.321 1.00 0.00 H new ATOM 0 HA MET B 27 -0.085 9.765 5.462 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.375 9.059 2.502 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.712 9.141 3.631 1.00 0.00 H new ATOM 0 HG2 MET B 27 0.062 11.459 2.752 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.606 11.188 2.285 1.00 0.00 H new ATOM 0 HE1 MET B 27 0.121 13.571 5.529 1.00 0.00 H new ATOM 0 HE2 MET B 27 0.276 11.927 6.193 1.00 0.00 H new ATOM 0 HE3 MET B 27 0.944 12.305 4.587 1.00 0.00 H new ATOM 1020 N ILE B 28 0.807 6.953 3.981 1.00 0.00 N ATOM 1021 CA ILE B 28 0.932 5.493 4.154 1.00 0.00 C ATOM 1022 C ILE B 28 1.479 5.132 5.543 1.00 0.00 C ATOM 1023 O ILE B 28 0.940 4.309 6.284 1.00 0.00 O ATOM 1024 CB ILE B 28 1.871 4.934 3.052 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.233 5.038 1.645 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.325 3.488 3.358 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.244 4.777 0.508 1.00 0.00 C ATOM 0 H ILE B 28 1.240 7.308 3.128 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.059 5.047 4.067 1.00 0.00 H new ATOM 0 HB ILE B 28 2.763 5.560 3.053 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.415 4.322 1.569 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.801 6.031 1.520 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.980 3.136 2.561 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.863 3.468 4.306 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.452 2.839 3.423 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.740 4.863 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.050 5.509 0.562 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.658 3.774 0.612 1.00 0.00 H new ATOM 1039 N LYS B 29 2.595 5.787 5.882 1.00 0.00 N ATOM 1040 CA LYS B 29 3.256 5.578 7.180 1.00 0.00 C ATOM 1041 C LYS B 29 2.298 5.839 8.350 1.00 0.00 C ATOM 1042 O LYS B 29 2.196 5.069 9.303 1.00 0.00 O ATOM 1043 CB LYS B 29 4.495 6.495 7.282 1.00 0.00 C ATOM 1044 CG LYS B 29 5.319 6.299 8.575 1.00 0.00 C ATOM 1045 CD LYS B 29 5.857 4.861 8.742 1.00 0.00 C ATOM 1046 CE LYS B 29 6.782 4.689 9.965 1.00 0.00 C ATOM 1047 NZ LYS B 29 7.983 5.522 9.807 1.00 0.00 N ATOM 0 H LYS B 29 3.060 6.465 5.279 1.00 0.00 H new ATOM 0 HA LYS B 29 3.568 4.536 7.242 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.140 6.314 6.422 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.171 7.534 7.224 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.157 6.996 8.573 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.698 6.550 9.435 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.015 4.175 8.834 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.402 4.578 7.841 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.252 4.970 10.875 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.067 3.642 10.072 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 8.708 5.219 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.352 5.419 8.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.740 6.518 9.980 1.00 0.00 H new ATOM 1061 N LYS B 30 1.562 6.951 8.251 1.00 0.00 N ATOM 1062 CA LYS B 30 0.606 7.356 9.302 1.00 0.00 C ATOM 1063 C LYS B 30 -0.389 6.236 9.641 1.00 0.00 C ATOM 1064 O LYS B 30 -0.662 5.915 10.798 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.160 8.619 8.842 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.107 9.194 9.921 1.00 0.00 C ATOM 1067 CD LYS B 30 -0.378 9.708 11.183 1.00 0.00 C ATOM 1068 CE LYS B 30 0.522 10.929 10.897 1.00 0.00 C ATOM 1069 NZ LYS B 30 1.215 11.328 12.128 1.00 0.00 N ATOM 0 H LYS B 30 1.606 7.590 7.457 1.00 0.00 H new ATOM 0 HA LYS B 30 1.175 7.571 10.207 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.559 9.386 8.555 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.741 8.378 7.952 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.682 10.012 9.487 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.820 8.423 10.214 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.116 9.975 11.940 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.229 8.904 11.599 1.00 0.00 H new ATOM 0 HE2 LYS B 30 1.248 10.685 10.122 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -0.079 11.757 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.821 12.151 11.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.515 11.578 12.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 1.801 10.539 12.468 1.00 0.00 H new ATOM 1083 N LYS B 31 -0.932 5.631 8.579 1.00 0.00 N ATOM 1084 CA LYS B 31 -1.902 4.526 8.717 1.00 0.00 C ATOM 1085 C LYS B 31 -1.319 3.336 9.493 1.00 0.00 C ATOM 1086 O LYS B 31 -1.925 2.782 10.412 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.365 4.047 7.323 1.00 0.00 C ATOM 1088 CG LYS B 31 -2.986 5.162 6.451 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.199 5.878 7.085 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.411 4.954 7.337 1.00 0.00 C ATOM 1091 NZ LYS B 31 -5.892 4.402 6.060 1.00 0.00 N ATOM 0 H LYS B 31 -0.720 5.883 7.614 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.750 4.914 9.281 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.513 3.619 6.795 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.096 3.248 7.449 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.218 5.903 6.232 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.293 4.731 5.498 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -3.892 6.323 8.031 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.507 6.695 6.433 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.129 4.145 8.010 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.210 5.512 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.818 3.951 6.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.985 5.169 5.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.214 3.696 5.710 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.106 2.935 9.094 1.00 0.00 N ATOM 1106 CA CYS B 32 0.590 1.814 9.752 1.00 0.00 C ATOM 1107 C CYS B 32 0.997 2.155 11.198 1.00 0.00 C ATOM 1108 O CYS B 32 0.445 1.653 12.179 1.00 0.00 O ATOM 1109 CB CYS B 32 1.832 1.410 8.926 1.00 0.00 C ATOM 1110 SG CYS B 32 2.810 0.151 9.785 1.00 0.00 S ATOM 0 H CYS B 32 0.413 3.363 8.327 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.104 0.975 9.801 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.517 1.029 7.954 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.449 2.289 8.739 1.00 0.00 H new