USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=19 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0366) USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.309 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= -0.498 (180deg=-2.74!) 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 79:sc= 0.396 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -139:sc= -3.29! (180deg=-5.55!) USER MOD Single : B 6 LYS NZ :NH3+ -116:sc= -0.0803 (180deg=-0.635) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 166:sc=-0.00428 (180deg=-0.242) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 MET CE :methyl 180:sc= -0.86 (180deg=-0.86) 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 27 MET CE :methyl 178:sc= -1.02 (180deg=-1.05) USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0822) USER MOD Single : B 30 LYS NZ :NH3+ 164:sc= -0.0313 (180deg=-0.353) USER MOD Single : B 31 LYS NZ :NH3+ -134:sc= -0.737 (180deg=-1.81) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.741 -13.407 1.565 1.00 0.00 N ATOM 27 CA ILE A 3 -0.580 -12.906 1.987 1.00 0.00 C ATOM 28 C ILE A 3 -1.675 -13.573 1.133 1.00 0.00 C ATOM 29 O ILE A 3 -1.552 -13.683 -0.087 1.00 0.00 O ATOM 30 CB ILE A 3 -0.612 -11.361 1.803 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.332 -10.648 2.805 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.043 -10.783 1.855 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.377 -9.110 2.656 1.00 0.00 C ATOM 0 HA ILE A 3 -0.760 -13.146 3.035 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.238 -11.162 0.799 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.018 -10.894 3.819 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.340 -11.043 2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.004 -9.702 1.721 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.643 -11.226 1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.493 -11.013 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.061 -8.693 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.722 -8.851 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.621 -8.700 2.813 1.00 0.00 H new ATOM 45 N PRO A 4 -2.778 -14.027 1.746 1.00 0.00 N ATOM 46 CA PRO A 4 -3.865 -14.734 1.047 1.00 0.00 C ATOM 47 C PRO A 4 -4.815 -13.799 0.284 1.00 0.00 C ATOM 48 O PRO A 4 -4.785 -12.569 0.371 1.00 0.00 O ATOM 49 CB PRO A 4 -4.611 -15.426 2.199 1.00 0.00 C ATOM 50 CG PRO A 4 -4.500 -14.404 3.320 1.00 0.00 C ATOM 51 CD PRO A 4 -3.048 -13.916 3.191 1.00 0.00 C ATOM 0 HA PRO A 4 -3.479 -15.407 0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.649 -15.636 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.150 -16.376 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.213 -13.589 3.197 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.692 -14.851 4.296 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.936 -12.891 3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.364 -14.531 3.776 1.00 0.00 H new ATOM 59 N LYS A 5 -5.706 -14.448 -0.470 1.00 0.00 N ATOM 60 CA LYS A 5 -6.728 -13.754 -1.271 1.00 0.00 C ATOM 61 C LYS A 5 -7.632 -12.866 -0.406 1.00 0.00 C ATOM 62 O LYS A 5 -7.929 -11.715 -0.722 1.00 0.00 O ATOM 63 CB LYS A 5 -7.598 -14.803 -1.995 1.00 0.00 C ATOM 64 CG LYS A 5 -8.599 -14.157 -2.979 1.00 0.00 C ATOM 65 CD LYS A 5 -9.565 -15.168 -3.630 1.00 0.00 C ATOM 66 CE LYS A 5 -10.501 -15.852 -2.613 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.409 -16.762 -3.324 1.00 0.00 N ATOM 0 H LYS A 5 -5.743 -15.465 -0.545 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.214 -13.113 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.953 -15.494 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.145 -15.390 -1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.180 -13.401 -2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.044 -13.641 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.167 -14.655 -4.380 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.986 -15.930 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.916 -16.405 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.073 -15.102 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.042 -17.225 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.975 -16.222 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.854 -17.484 -3.826 1.00 0.00 H new ATOM 81 N LYS A 6 -8.075 -13.442 0.719 1.00 0.00 N ATOM 82 CA LYS A 6 -8.973 -12.753 1.666 1.00 0.00 C ATOM 83 C LYS A 6 -8.427 -11.368 2.041 1.00 0.00 C ATOM 84 O LYS A 6 -9.080 -10.334 1.901 1.00 0.00 O ATOM 85 CB LYS A 6 -9.122 -13.637 2.930 1.00 0.00 C ATOM 86 CG LYS A 6 -10.309 -13.276 3.857 1.00 0.00 C ATOM 87 CD LYS A 6 -10.258 -11.881 4.523 1.00 0.00 C ATOM 88 CE LYS A 6 -8.999 -11.637 5.381 1.00 0.00 C ATOM 89 NZ LYS A 6 -8.948 -12.601 6.488 1.00 0.00 N ATOM 0 H LYS A 6 -7.826 -14.390 1.000 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.945 -12.602 1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.231 -14.675 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.200 -13.574 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.229 -13.345 3.277 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.370 -14.029 4.643 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.309 -11.118 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.141 -11.757 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.105 -11.732 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.009 -10.620 5.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.134 -12.386 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.824 -12.537 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.849 -13.563 6.106 1.00 0.00 H new ATOM 103 N ILE A 7 -7.170 -11.363 2.500 1.00 0.00 N ATOM 104 CA ILE A 7 -6.489 -10.112 2.886 1.00 0.00 C ATOM 105 C ILE A 7 -6.445 -9.104 1.728 1.00 0.00 C ATOM 106 O ILE A 7 -6.750 -7.927 1.887 1.00 0.00 O ATOM 107 CB ILE A 7 -5.064 -10.421 3.413 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.092 -11.268 4.709 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.212 -9.141 3.606 1.00 0.00 C ATOM 110 CD1 ILE A 7 -5.698 -10.537 5.925 1.00 0.00 C ATOM 0 H ILE A 7 -6.603 -12.203 2.614 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.065 -9.649 3.687 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.581 -11.017 2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.663 -12.178 4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.075 -11.574 4.952 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.224 -9.414 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.112 -8.623 2.652 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.700 -8.484 4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.681 -11.197 6.792 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.114 -9.642 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.727 -10.255 5.704 1.00 0.00 H new ATOM 122 N TRP A 8 -6.057 -9.587 0.543 1.00 0.00 N ATOM 123 CA TRP A 8 -5.988 -8.739 -0.667 1.00 0.00 C ATOM 124 C TRP A 8 -7.299 -7.984 -0.955 1.00 0.00 C ATOM 125 O TRP A 8 -7.329 -6.810 -1.324 1.00 0.00 O ATOM 126 CB TRP A 8 -5.603 -9.600 -1.893 1.00 0.00 C ATOM 127 CG TRP A 8 -4.166 -10.135 -1.793 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.746 -11.413 -2.194 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.989 -9.470 -1.385 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.404 -11.562 -2.047 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.916 -10.386 -1.558 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.717 -8.174 -0.928 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.613 -9.986 -1.255 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.409 -7.792 -0.630 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.359 -8.697 -0.789 1.00 0.00 C ATOM 0 H TRP A 8 -5.785 -10.558 0.389 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.224 -7.986 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.296 -10.437 -1.980 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.706 -9.005 -2.800 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.406 -12.180 -2.571 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.862 -12.399 -2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.524 -7.467 -0.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.204 -10.680 -1.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.208 -6.792 -0.275 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.651 -8.399 -0.551 1.00 0.00 H new ATOM 146 N GLU A 9 -8.411 -8.702 -0.784 1.00 0.00 N ATOM 147 CA GLU A 9 -9.757 -8.118 -0.947 1.00 0.00 C ATOM 148 C GLU A 9 -10.025 -7.000 0.072 1.00 0.00 C ATOM 149 O GLU A 9 -10.498 -5.907 -0.236 1.00 0.00 O ATOM 150 CB GLU A 9 -10.815 -9.230 -0.775 1.00 0.00 C ATOM 151 CG GLU A 9 -10.709 -10.339 -1.846 1.00 0.00 C ATOM 152 CD GLU A 9 -11.618 -11.518 -1.471 1.00 0.00 C ATOM 153 OE1 GLU A 9 -12.839 -11.369 -1.533 1.00 0.00 O ATOM 154 OE2 GLU A 9 -11.095 -12.571 -1.110 1.00 0.00 O ATOM 0 H GLU A 9 -8.413 -9.690 -0.532 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.816 -7.681 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.707 -9.676 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.810 -8.786 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.995 -9.944 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.676 -10.677 -1.930 1.00 0.00 H new ATOM 161 N THR A 10 -9.704 -7.309 1.330 1.00 0.00 N ATOM 162 CA THR A 10 -9.947 -6.392 2.461 1.00 0.00 C ATOM 163 C THR A 10 -9.148 -5.081 2.342 1.00 0.00 C ATOM 164 O THR A 10 -9.636 -3.977 2.588 1.00 0.00 O ATOM 165 CB THR A 10 -9.598 -7.122 3.785 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.346 -8.340 3.864 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.919 -6.280 5.037 1.00 0.00 C ATOM 0 H THR A 10 -9.272 -8.193 1.599 1.00 0.00 H new ATOM 0 HA THR A 10 -11.001 -6.113 2.450 1.00 0.00 H new ATOM 0 HB THR A 10 -8.524 -7.308 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.937 -9.013 3.281 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.654 -6.843 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.347 -5.353 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.984 -6.048 5.057 1.00 0.00 H new ATOM 175 N VAL A 11 -7.877 -5.226 1.958 1.00 0.00 N ATOM 176 CA VAL A 11 -6.949 -4.083 1.836 1.00 0.00 C ATOM 177 C VAL A 11 -7.252 -3.165 0.641 1.00 0.00 C ATOM 178 O VAL A 11 -6.897 -1.991 0.642 1.00 0.00 O ATOM 179 CB VAL A 11 -5.472 -4.557 1.776 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.059 -5.332 3.048 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.144 -5.360 0.502 1.00 0.00 C ATOM 0 H VAL A 11 -7.459 -6.126 1.724 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.104 -3.491 2.738 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.874 -3.647 1.732 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.018 -5.644 2.962 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.174 -4.688 3.920 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.693 -6.211 3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.097 -5.662 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.776 -6.247 0.458 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.327 -4.740 -0.376 1.00 0.00 H new ATOM 191 N CYS A 12 -7.911 -3.724 -0.388 1.00 0.00 N ATOM 192 CA CYS A 12 -8.230 -3.000 -1.644 1.00 0.00 C ATOM 193 C CYS A 12 -8.477 -1.483 -1.497 1.00 0.00 C ATOM 194 O CYS A 12 -7.758 -0.685 -2.098 1.00 0.00 O ATOM 195 CB CYS A 12 -9.464 -3.638 -2.322 1.00 0.00 C ATOM 196 SG CYS A 12 -9.104 -5.051 -3.394 1.00 0.00 S ATOM 0 H CYS A 12 -8.240 -4.689 -0.379 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.331 -3.099 -2.252 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.161 -3.958 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.971 -2.874 -2.911 1.00 0.00 H new ATOM 201 N PRO A 13 -9.471 -1.032 -0.715 1.00 0.00 N ATOM 202 CA PRO A 13 -9.787 0.401 -0.537 1.00 0.00 C ATOM 203 C PRO A 13 -8.676 1.197 0.167 1.00 0.00 C ATOM 204 O PRO A 13 -8.358 2.338 -0.165 1.00 0.00 O ATOM 205 CB PRO A 13 -11.076 0.390 0.303 1.00 0.00 C ATOM 206 CG PRO A 13 -10.969 -0.902 1.098 1.00 0.00 C ATOM 207 CD PRO A 13 -10.384 -1.879 0.070 1.00 0.00 C ATOM 0 HA PRO A 13 -9.894 0.901 -1.500 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.137 1.260 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.966 0.402 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.320 -0.791 1.967 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.940 -1.234 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.856 -2.702 0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.161 -2.320 -0.554 1.00 0.00 H new ATOM 215 N THR A 14 -8.096 0.566 1.190 1.00 0.00 N ATOM 216 CA THR A 14 -7.015 1.179 1.991 1.00 0.00 C ATOM 217 C THR A 14 -5.796 1.551 1.126 1.00 0.00 C ATOM 218 O THR A 14 -5.255 2.656 1.167 1.00 0.00 O ATOM 219 CB THR A 14 -6.602 0.186 3.106 1.00 0.00 C ATOM 220 OG1 THR A 14 -7.757 -0.173 3.870 1.00 0.00 O ATOM 221 CG2 THR A 14 -5.541 0.769 4.060 1.00 0.00 C ATOM 0 H THR A 14 -8.353 -0.374 1.490 1.00 0.00 H new ATOM 0 HA THR A 14 -7.387 2.106 2.428 1.00 0.00 H new ATOM 0 HB THR A 14 -6.165 -0.684 2.615 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.500 -0.803 4.576 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.290 0.030 4.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.645 1.026 3.495 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.936 1.664 4.541 1.00 0.00 H new ATOM 229 N VAL A 15 -5.356 0.569 0.336 1.00 0.00 N ATOM 230 CA VAL A 15 -4.215 0.739 -0.590 1.00 0.00 C ATOM 231 C VAL A 15 -4.576 1.529 -1.861 1.00 0.00 C ATOM 232 O VAL A 15 -3.724 2.080 -2.555 1.00 0.00 O ATOM 233 CB VAL A 15 -3.631 -0.645 -0.975 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.174 -1.433 0.272 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.590 -1.490 -1.845 1.00 0.00 C ATOM 0 H VAL A 15 -5.771 -0.362 0.314 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.467 1.326 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.755 -0.440 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.770 -2.398 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.404 -0.868 0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.025 -1.590 0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.122 -2.446 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.518 -1.665 -1.300 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.808 -0.956 -2.770 1.00 0.00 H new ATOM 245 N GLU A 16 -5.879 1.559 -2.173 1.00 0.00 N ATOM 246 CA GLU A 16 -6.405 2.212 -3.392 1.00 0.00 C ATOM 247 C GLU A 16 -5.777 3.590 -3.685 1.00 0.00 C ATOM 248 O GLU A 16 -5.352 3.846 -4.811 1.00 0.00 O ATOM 249 CB GLU A 16 -7.941 2.348 -3.280 1.00 0.00 C ATOM 250 CG GLU A 16 -8.616 2.939 -4.542 1.00 0.00 C ATOM 251 CD GLU A 16 -10.146 3.066 -4.394 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.703 2.717 -3.351 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.776 3.524 -5.346 1.00 0.00 O ATOM 0 H GLU A 16 -6.602 1.134 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.131 1.571 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.368 1.366 -3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.178 2.980 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.192 3.922 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.389 2.307 -5.400 1.00 0.00 H new ATOM 260 N PRO A 17 -5.705 4.520 -2.719 1.00 0.00 N ATOM 261 CA PRO A 17 -5.018 5.809 -2.908 1.00 0.00 C ATOM 262 C PRO A 17 -3.500 5.667 -3.098 1.00 0.00 C ATOM 263 O PRO A 17 -2.902 6.180 -4.045 1.00 0.00 O ATOM 264 CB PRO A 17 -5.349 6.598 -1.630 1.00 0.00 C ATOM 265 CG PRO A 17 -5.577 5.511 -0.588 1.00 0.00 C ATOM 266 CD PRO A 17 -6.326 4.437 -1.385 1.00 0.00 C ATOM 0 HA PRO A 17 -5.352 6.305 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.532 7.261 -1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.234 7.220 -1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.638 5.134 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.165 5.874 0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.203 3.448 -0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.397 4.638 -1.425 1.00 0.00 H new ATOM 274 N TRP A 18 -2.874 4.930 -2.174 1.00 0.00 N ATOM 275 CA TRP A 18 -1.402 4.875 -2.109 1.00 0.00 C ATOM 276 C TRP A 18 -0.763 4.158 -3.309 1.00 0.00 C ATOM 277 O TRP A 18 -0.032 4.740 -4.108 1.00 0.00 O ATOM 278 CB TRP A 18 -0.927 4.194 -0.803 1.00 0.00 C ATOM 279 CG TRP A 18 -1.537 4.866 0.431 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.676 6.243 0.673 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.006 4.234 1.597 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.199 6.471 1.906 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.406 5.258 2.495 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.099 2.894 1.981 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -2.900 4.910 3.754 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.588 2.563 3.245 1.00 0.00 C ATOM 287 CH2 TRP A 18 -2.991 3.568 4.129 1.00 0.00 C ATOM 0 H TRP A 18 -3.352 4.369 -1.468 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.073 5.914 -2.132 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.203 3.140 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.160 4.238 -0.743 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.403 7.018 -0.028 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.400 7.383 2.316 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.792 2.114 1.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.213 5.682 4.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.655 1.527 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.374 3.306 5.104 1.00 0.00 H new ATOM 298 N ALA A 19 -1.066 2.860 -3.426 1.00 0.00 N ATOM 299 CA ALA A 19 -0.478 1.984 -4.463 1.00 0.00 C ATOM 300 C ALA A 19 -0.565 2.564 -5.881 1.00 0.00 C ATOM 301 O ALA A 19 0.392 2.582 -6.657 1.00 0.00 O ATOM 302 CB ALA A 19 -1.184 0.612 -4.424 1.00 0.00 C ATOM 0 H ALA A 19 -1.723 2.382 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 19 0.583 1.889 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.756 -0.039 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.047 0.160 -3.442 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.249 0.745 -4.617 1.00 0.00 H new ATOM 308 N LYS A 20 -1.765 3.038 -6.216 1.00 0.00 N ATOM 309 CA LYS A 20 -2.012 3.695 -7.513 1.00 0.00 C ATOM 310 C LYS A 20 -1.112 4.923 -7.704 1.00 0.00 C ATOM 311 O LYS A 20 -0.454 5.115 -8.728 1.00 0.00 O ATOM 312 CB LYS A 20 -3.502 4.091 -7.604 1.00 0.00 C ATOM 313 CG LYS A 20 -4.454 2.898 -7.869 1.00 0.00 C ATOM 314 CD LYS A 20 -4.271 1.694 -6.913 1.00 0.00 C ATOM 315 CE LYS A 20 -5.340 0.598 -7.112 1.00 0.00 C ATOM 316 NZ LYS A 20 -6.673 1.142 -6.817 1.00 0.00 N ATOM 0 H LYS A 20 -2.585 2.982 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.770 2.994 -8.312 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.796 4.578 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.625 4.825 -8.401 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.483 3.250 -7.794 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.308 2.556 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.282 1.262 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.308 2.047 -5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.307 0.227 -8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.131 -0.250 -6.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.183 0.490 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.575 2.067 -6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.206 1.255 -7.703 1.00 0.00 H new ATOM 330 N LYS A 21 -1.104 5.778 -6.677 1.00 0.00 N ATOM 331 CA LYS A 21 -0.202 6.945 -6.638 1.00 0.00 C ATOM 332 C LYS A 21 1.182 6.573 -6.073 1.00 0.00 C ATOM 333 O LYS A 21 1.732 7.176 -5.150 1.00 0.00 O ATOM 334 CB LYS A 21 -0.854 8.046 -5.770 1.00 0.00 C ATOM 335 CG LYS A 21 -2.211 8.538 -6.321 1.00 0.00 C ATOM 336 CD LYS A 21 -2.877 9.584 -5.401 1.00 0.00 C ATOM 337 CE LYS A 21 -2.039 10.869 -5.235 1.00 0.00 C ATOM 338 NZ LYS A 21 -2.742 11.798 -4.337 1.00 0.00 N ATOM 0 H LYS A 21 -1.709 5.689 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.050 7.306 -7.655 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.998 7.664 -4.759 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.171 8.893 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.063 8.971 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.881 7.687 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.854 9.845 -5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.047 9.140 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.057 10.626 -4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.875 11.338 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.179 12.665 -4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.669 12.038 -4.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.876 11.349 -3.409 1.00 0.00 H new ATOM 352 N CYS A 22 1.766 5.532 -6.669 1.00 0.00 N ATOM 353 CA CYS A 22 3.097 5.052 -6.259 1.00 0.00 C ATOM 354 C CYS A 22 3.821 4.398 -7.443 1.00 0.00 C ATOM 355 O CYS A 22 3.274 4.153 -8.520 1.00 0.00 O ATOM 356 CB CYS A 22 2.947 4.026 -5.109 1.00 0.00 C ATOM 357 SG CYS A 22 4.529 3.661 -4.312 1.00 0.00 S ATOM 0 H CYS A 22 1.345 5.004 -7.434 1.00 0.00 H new ATOM 0 HA CYS A 22 3.686 5.903 -5.916 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.249 4.413 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.517 3.104 -5.500 1.00 0.00 H new ATOM 362 N SER A 23 5.102 4.100 -7.214 1.00 0.00 N ATOM 363 CA SER A 23 5.964 3.515 -8.256 1.00 0.00 C ATOM 364 C SER A 23 6.905 2.446 -7.680 1.00 0.00 C ATOM 365 O SER A 23 6.958 2.153 -6.483 1.00 0.00 O ATOM 366 CB SER A 23 6.789 4.648 -8.911 1.00 0.00 C ATOM 367 OG SER A 23 5.911 5.608 -9.507 1.00 0.00 O ATOM 0 H SER A 23 5.569 4.252 -6.320 1.00 0.00 H new ATOM 0 HA SER A 23 5.332 3.027 -8.998 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.417 5.132 -8.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.456 4.234 -9.667 1.00 0.00 H new ATOM 0 HG SER A 23 6.439 6.323 -9.918 1.00 0.00 H new ATOM 373 N GLY A 24 7.677 1.850 -8.591 1.00 0.00 N ATOM 374 CA GLY A 24 8.589 0.746 -8.246 1.00 0.00 C ATOM 375 C GLY A 24 7.884 -0.617 -8.257 1.00 0.00 C ATOM 376 O GLY A 24 6.679 -0.769 -8.467 1.00 0.00 O ATOM 0 H GLY A 24 7.692 2.111 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.419 0.729 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.015 0.924 -7.259 1.00 0.00 H new ATOM 380 N ASP A 25 8.703 -1.641 -8.006 1.00 0.00 N ATOM 381 CA ASP A 25 8.262 -3.049 -8.058 1.00 0.00 C ATOM 382 C ASP A 25 7.123 -3.358 -7.081 1.00 0.00 C ATOM 383 O ASP A 25 6.119 -3.992 -7.406 1.00 0.00 O ATOM 384 CB ASP A 25 9.456 -3.985 -7.753 1.00 0.00 C ATOM 385 CG ASP A 25 10.538 -3.874 -8.838 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.213 -2.846 -8.904 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.691 -4.817 -9.612 1.00 0.00 O ATOM 0 H ASP A 25 9.687 -1.526 -7.762 1.00 0.00 H new ATOM 0 HA ASP A 25 7.883 -3.219 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.882 -3.731 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.107 -5.015 -7.688 1.00 0.00 H new ATOM 392 N ILE A 26 7.309 -2.896 -5.842 1.00 0.00 N ATOM 393 CA ILE A 26 6.340 -3.149 -4.758 1.00 0.00 C ATOM 394 C ILE A 26 4.954 -2.567 -5.082 1.00 0.00 C ATOM 395 O ILE A 26 3.916 -3.209 -4.925 1.00 0.00 O ATOM 396 CB ILE A 26 6.861 -2.553 -3.427 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.313 -2.981 -3.104 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.912 -2.912 -2.260 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.502 -4.506 -2.954 1.00 0.00 C ATOM 0 H ILE A 26 8.119 -2.345 -5.559 1.00 0.00 H new ATOM 0 HA ILE A 26 6.234 -4.229 -4.659 1.00 0.00 H new ATOM 0 HB ILE A 26 6.876 -1.470 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.971 -2.620 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.627 -2.494 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.296 -2.484 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.919 -2.510 -2.461 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.851 -3.996 -2.161 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.546 -4.723 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.872 -4.873 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.221 -5.001 -3.884 1.00 0.00 H new ATOM 411 N ALA A 27 4.954 -1.309 -5.534 1.00 0.00 N ATOM 412 CA ALA A 27 3.710 -0.623 -5.937 1.00 0.00 C ATOM 413 C ALA A 27 2.925 -1.422 -6.988 1.00 0.00 C ATOM 414 O ALA A 27 1.712 -1.619 -6.914 1.00 0.00 O ATOM 415 CB ALA A 27 4.051 0.770 -6.506 1.00 0.00 C ATOM 0 H ALA A 27 5.796 -0.742 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 27 3.082 -0.530 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.133 1.276 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.560 1.360 -5.744 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.702 0.659 -7.373 1.00 0.00 H new ATOM 421 N THR A 28 3.670 -1.890 -7.994 1.00 0.00 N ATOM 422 CA THR A 28 3.107 -2.710 -9.084 1.00 0.00 C ATOM 423 C THR A 28 2.464 -4.005 -8.558 1.00 0.00 C ATOM 424 O THR A 28 1.380 -4.424 -8.965 1.00 0.00 O ATOM 425 CB THR A 28 4.227 -3.046 -10.098 1.00 0.00 C ATOM 426 OG1 THR A 28 4.799 -1.831 -10.593 1.00 0.00 O ATOM 427 CG2 THR A 28 3.726 -3.878 -11.299 1.00 0.00 C ATOM 0 H THR A 28 4.671 -1.716 -8.081 1.00 0.00 H new ATOM 0 HA THR A 28 2.320 -2.134 -9.571 1.00 0.00 H new ATOM 0 HB THR A 28 4.965 -3.646 -9.565 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.425 -1.470 -9.930 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.558 -4.081 -11.973 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.311 -4.820 -10.941 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.955 -3.321 -11.831 1.00 0.00 H new ATOM 435 N TYR A 29 3.176 -4.652 -7.631 1.00 0.00 N ATOM 436 CA TYR A 29 2.714 -5.918 -7.029 1.00 0.00 C ATOM 437 C TYR A 29 1.377 -5.748 -6.296 1.00 0.00 C ATOM 438 O TYR A 29 0.385 -6.413 -6.578 1.00 0.00 O ATOM 439 CB TYR A 29 3.810 -6.474 -6.083 1.00 0.00 C ATOM 440 CG TYR A 29 3.396 -7.718 -5.319 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.538 -7.620 -4.218 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.849 -8.974 -5.734 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.130 -8.770 -3.543 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.439 -10.125 -5.058 1.00 0.00 C ATOM 445 CZ TYR A 29 2.576 -10.024 -3.964 1.00 0.00 C ATOM 446 OH TYR A 29 2.159 -11.163 -3.304 1.00 0.00 O ATOM 0 H TYR A 29 4.075 -4.325 -7.277 1.00 0.00 H new ATOM 0 HA TYR A 29 2.539 -6.637 -7.830 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.700 -6.700 -6.670 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.087 -5.698 -5.370 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.191 -6.651 -3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.517 -9.054 -6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.468 -8.690 -2.693 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.789 -11.094 -5.381 1.00 0.00 H new ATOM 0 HH TYR A 29 2.561 -11.951 -3.725 1.00 0.00 H new ATOM 456 N ILE A 30 1.368 -4.816 -5.339 1.00 0.00 N ATOM 457 CA ILE A 30 0.173 -4.514 -4.523 1.00 0.00 C ATOM 458 C ILE A 30 -1.056 -4.222 -5.398 1.00 0.00 C ATOM 459 O ILE A 30 -2.165 -4.716 -5.189 1.00 0.00 O ATOM 460 CB ILE A 30 0.505 -3.305 -3.610 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.636 -3.672 -2.616 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.740 -2.780 -2.857 1.00 0.00 C ATOM 463 CD1 ILE A 30 2.244 -2.441 -1.918 1.00 0.00 C ATOM 0 H ILE A 30 2.182 -4.248 -5.103 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.080 -5.384 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 30 0.850 -2.497 -4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.243 -4.354 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.422 -4.206 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.457 -1.934 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.494 -2.462 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.148 -3.574 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.030 -2.762 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.665 -1.770 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.467 -1.919 -1.359 1.00 0.00 H new ATOM 475 N LYS A 31 -0.819 -3.382 -6.408 1.00 0.00 N ATOM 476 CA LYS A 31 -1.841 -3.034 -7.415 1.00 0.00 C ATOM 477 C LYS A 31 -2.443 -4.285 -8.076 1.00 0.00 C ATOM 478 O LYS A 31 -3.647 -4.412 -8.292 1.00 0.00 O ATOM 479 CB LYS A 31 -1.171 -2.140 -8.482 1.00 0.00 C ATOM 480 CG LYS A 31 -2.124 -1.682 -9.607 1.00 0.00 C ATOM 481 CD LYS A 31 -1.412 -0.823 -10.675 1.00 0.00 C ATOM 482 CE LYS A 31 -0.295 -1.590 -11.417 1.00 0.00 C ATOM 483 NZ LYS A 31 0.326 -0.711 -12.419 1.00 0.00 N ATOM 0 H LYS A 31 0.080 -2.923 -6.556 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.661 -2.509 -6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.753 -1.260 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.337 -2.684 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.564 -2.558 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.944 -1.110 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.146 -0.470 -11.399 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.985 0.060 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.456 -1.936 -10.707 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.708 -2.475 -11.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.078 -1.229 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.394 -0.402 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.734 0.121 -11.946 1.00 0.00 H new ATOM 497 N ARG A 32 -1.553 -5.223 -8.412 1.00 0.00 N ATOM 498 CA ARG A 32 -1.950 -6.505 -9.026 1.00 0.00 C ATOM 499 C ARG A 32 -2.836 -7.358 -8.103 1.00 0.00 C ATOM 500 O ARG A 32 -3.812 -7.978 -8.521 1.00 0.00 O ATOM 501 CB ARG A 32 -0.687 -7.304 -9.417 1.00 0.00 C ATOM 502 CG ARG A 32 -1.011 -8.640 -10.113 1.00 0.00 C ATOM 503 CD ARG A 32 0.262 -9.442 -10.444 1.00 0.00 C ATOM 504 NE ARG A 32 -0.113 -10.707 -11.100 1.00 0.00 N ATOM 505 CZ ARG A 32 0.798 -11.622 -11.434 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.093 -11.438 -11.183 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.402 -12.744 -12.027 1.00 0.00 N ATOM 0 H ARG A 32 -0.548 -5.123 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.542 -6.269 -9.911 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.070 -6.696 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.097 -7.501 -8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.658 -9.236 -9.470 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.566 -8.445 -11.031 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.912 -8.860 -11.097 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.824 -9.645 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.096 -10.888 -11.304 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.407 -10.582 -10.726 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.770 -12.153 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.588 -12.896 -12.221 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.088 -13.452 -12.288 1.00 0.00 H new ATOM 521 N GLU A 33 -2.475 -7.398 -6.815 1.00 0.00 N ATOM 522 CA GLU A 33 -3.173 -8.270 -5.849 1.00 0.00 C ATOM 523 C GLU A 33 -4.679 -7.990 -5.808 1.00 0.00 C ATOM 524 O GLU A 33 -5.526 -8.851 -6.051 1.00 0.00 O ATOM 525 CB GLU A 33 -2.590 -8.094 -4.428 1.00 0.00 C ATOM 526 CG GLU A 33 -1.052 -8.222 -4.346 1.00 0.00 C ATOM 527 CD GLU A 33 -0.561 -9.494 -5.053 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.832 -10.589 -4.561 1.00 0.00 O ATOM 529 OE2 GLU A 33 0.084 -9.375 -6.093 1.00 0.00 O ATOM 0 H GLU A 33 -1.715 -6.847 -6.416 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.019 -9.295 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.881 -7.115 -4.048 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.039 -8.838 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.587 -7.348 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.741 -8.241 -3.301 1.00 0.00 H new ATOM 536 N CYS A 34 -5.005 -6.732 -5.496 1.00 0.00 N ATOM 537 CA CYS A 34 -6.406 -6.276 -5.486 1.00 0.00 C ATOM 538 C CYS A 34 -7.025 -6.302 -6.895 1.00 0.00 C ATOM 539 O CYS A 34 -8.079 -6.881 -7.157 1.00 0.00 O ATOM 540 CB CYS A 34 -6.472 -4.834 -4.933 1.00 0.00 C ATOM 541 SG CYS A 34 -8.170 -4.203 -4.971 1.00 0.00 S ATOM 0 H CYS A 34 -4.326 -6.013 -5.248 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.974 -6.957 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.096 -4.815 -3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.825 -4.184 -5.523 1.00 0.00 H new ATOM 546 N GLY A 35 -6.317 -5.642 -7.816 1.00 0.00 N ATOM 547 CA GLY A 35 -6.816 -5.407 -9.185 1.00 0.00 C ATOM 548 C GLY A 35 -7.085 -6.695 -9.971 1.00 0.00 C ATOM 549 O GLY A 35 -8.218 -7.033 -10.319 1.00 0.00 O ATOM 0 H GLY A 35 -5.389 -5.256 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.736 -4.825 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.089 -4.805 -9.729 1.00 0.00 H new ATOM 553 N LYS A 36 -6.005 -7.426 -10.256 1.00 0.00 N ATOM 554 CA LYS A 36 -6.096 -8.680 -11.030 1.00 0.00 C ATOM 555 C LYS A 36 -7.005 -9.701 -10.330 1.00 0.00 C ATOM 556 O LYS A 36 -8.004 -10.176 -10.868 1.00 0.00 O ATOM 557 CB LYS A 36 -4.687 -9.289 -11.228 1.00 0.00 C ATOM 558 CG LYS A 36 -4.705 -10.526 -12.158 1.00 0.00 C ATOM 559 CD LYS A 36 -3.357 -11.275 -12.266 1.00 0.00 C ATOM 560 CE LYS A 36 -3.049 -12.206 -11.070 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.893 -11.446 -9.822 1.00 0.00 N ATOM 0 H LYS A 36 -5.059 -7.178 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.529 -8.442 -12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.023 -8.533 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.277 -9.572 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.464 -11.222 -11.799 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.009 -10.209 -13.155 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.356 -11.866 -13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.554 -10.543 -12.358 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.854 -12.933 -10.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.137 -12.769 -11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.099 -11.836 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.703 -10.448 -10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.766 -11.516 -9.262 1.00 0.00 H new ATOM 666 N VAL B 5 -5.862 -6.787 9.897 1.00 0.00 N ATOM 667 CA VAL B 5 -5.496 -6.819 8.468 1.00 0.00 C ATOM 668 C VAL B 5 -4.567 -5.658 8.083 1.00 0.00 C ATOM 669 O VAL B 5 -3.622 -5.803 7.308 1.00 0.00 O ATOM 670 CB VAL B 5 -6.777 -6.812 7.597 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.461 -6.703 6.088 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.625 -8.076 7.862 1.00 0.00 C ATOM 0 HA VAL B 5 -4.942 -7.740 8.285 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.345 -5.927 7.883 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.392 -6.702 5.521 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.918 -5.778 5.896 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -5.850 -7.552 5.782 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.520 -8.051 7.240 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.040 -8.964 7.621 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.914 -8.107 8.913 1.00 0.00 H new ATOM 682 N LYS B 6 -4.859 -4.477 8.640 1.00 0.00 N ATOM 683 CA LYS B 6 -4.042 -3.277 8.379 1.00 0.00 C ATOM 684 C LYS B 6 -2.571 -3.515 8.738 1.00 0.00 C ATOM 685 O LYS B 6 -1.661 -3.360 7.927 1.00 0.00 O ATOM 686 CB LYS B 6 -4.591 -2.067 9.168 1.00 0.00 C ATOM 687 CG LYS B 6 -3.870 -0.750 8.804 1.00 0.00 C ATOM 688 CD LYS B 6 -4.570 0.489 9.400 1.00 0.00 C ATOM 689 CE LYS B 6 -3.991 1.815 8.868 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.240 1.930 7.423 1.00 0.00 N ATOM 0 H LYS B 6 -5.647 -4.323 9.269 1.00 0.00 H new ATOM 0 HA LYS B 6 -4.101 -3.062 7.312 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.658 -1.961 8.969 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.483 -2.254 10.236 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.842 -0.791 9.163 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.825 -0.652 7.719 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -5.635 0.445 9.171 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.477 0.466 10.486 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.446 2.656 9.392 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -2.920 1.859 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -3.333 1.937 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.810 1.121 7.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.753 2.813 7.228 1.00 0.00 H new ATOM 704 N LEU B 7 -2.353 -3.928 9.990 1.00 0.00 N ATOM 705 CA LEU B 7 -0.998 -4.219 10.498 1.00 0.00 C ATOM 706 C LEU B 7 -0.235 -5.213 9.612 1.00 0.00 C ATOM 707 O LEU B 7 0.955 -5.073 9.325 1.00 0.00 O ATOM 708 CB LEU B 7 -1.103 -4.781 11.934 1.00 0.00 C ATOM 709 CG LEU B 7 -1.698 -3.777 12.952 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.927 -4.450 14.319 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.821 -2.514 13.105 1.00 0.00 C ATOM 0 H LEU B 7 -3.095 -4.070 10.675 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.437 -3.284 10.489 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.720 -5.679 11.919 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -0.111 -5.082 12.271 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.662 -3.456 12.557 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.345 -3.724 15.016 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.620 -5.283 14.203 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.977 -4.820 14.706 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.278 -1.839 13.829 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.172 -2.800 13.452 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.737 -2.010 12.142 1.00 0.00 H new ATOM 723 N THR B 8 -0.960 -6.248 9.172 1.00 0.00 N ATOM 724 CA THR B 8 -0.395 -7.292 8.299 1.00 0.00 C ATOM 725 C THR B 8 0.178 -6.711 6.995 1.00 0.00 C ATOM 726 O THR B 8 1.309 -6.974 6.589 1.00 0.00 O ATOM 727 CB THR B 8 -1.490 -8.340 7.973 1.00 0.00 C ATOM 728 OG1 THR B 8 -1.961 -8.921 9.191 1.00 0.00 O ATOM 729 CG2 THR B 8 -0.997 -9.470 7.044 1.00 0.00 C ATOM 0 H THR B 8 -1.943 -6.388 9.405 1.00 0.00 H new ATOM 0 HA THR B 8 0.429 -7.763 8.834 1.00 0.00 H new ATOM 0 HB THR B 8 -2.285 -7.812 7.447 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.655 -9.583 8.991 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.812 -10.169 6.856 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.660 -9.043 6.099 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.170 -9.997 7.520 1.00 0.00 H new ATOM 737 N ILE B 9 -0.649 -5.900 6.326 1.00 0.00 N ATOM 738 CA ILE B 9 -0.269 -5.310 5.027 1.00 0.00 C ATOM 739 C ILE B 9 0.787 -4.196 5.150 1.00 0.00 C ATOM 740 O ILE B 9 1.621 -4.000 4.268 1.00 0.00 O ATOM 741 CB ILE B 9 -1.523 -4.823 4.248 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.196 -4.374 2.805 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.303 -3.710 4.980 1.00 0.00 C ATOM 744 CD1 ILE B 9 -0.580 -5.492 1.938 1.00 0.00 C ATOM 0 H ILE B 9 -1.578 -5.636 6.654 1.00 0.00 H new ATOM 0 HA ILE B 9 0.204 -6.107 4.453 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.168 -5.700 4.195 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.109 -4.017 2.328 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.505 -3.532 2.843 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.166 -3.416 4.382 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.641 -4.079 5.948 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.653 -2.847 5.128 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.376 -5.107 0.939 1.00 0.00 H new ATOM 0 HD12 ILE B 9 0.350 -5.834 2.392 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.278 -6.326 1.870 1.00 0.00 H new ATOM 756 N CYS B 10 0.755 -3.468 6.277 1.00 0.00 N ATOM 757 CA CYS B 10 1.604 -2.273 6.484 1.00 0.00 C ATOM 758 C CYS B 10 3.067 -2.418 6.023 1.00 0.00 C ATOM 759 O CYS B 10 3.533 -1.581 5.254 1.00 0.00 O ATOM 760 CB CYS B 10 1.593 -1.797 7.952 1.00 0.00 C ATOM 761 SG CYS B 10 -0.025 -1.186 8.485 1.00 0.00 S ATOM 0 H CYS B 10 0.147 -3.684 7.067 1.00 0.00 H new ATOM 0 HA CYS B 10 1.140 -1.527 5.839 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.895 -2.622 8.598 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.333 -1.007 8.078 1.00 0.00 H new ATOM 766 N PRO B 11 3.831 -3.438 6.447 1.00 0.00 N ATOM 767 CA PRO B 11 5.241 -3.620 6.043 1.00 0.00 C ATOM 768 C PRO B 11 5.445 -3.655 4.521 1.00 0.00 C ATOM 769 O PRO B 11 6.392 -3.100 3.963 1.00 0.00 O ATOM 770 CB PRO B 11 5.659 -4.950 6.700 1.00 0.00 C ATOM 771 CG PRO B 11 4.338 -5.665 6.943 1.00 0.00 C ATOM 772 CD PRO B 11 3.402 -4.521 7.345 1.00 0.00 C ATOM 0 HA PRO B 11 5.850 -2.776 6.366 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.314 -5.529 6.049 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.201 -4.783 7.631 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.986 -6.180 6.049 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.422 -6.414 7.730 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.354 -4.781 7.197 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.518 -4.250 8.394 1.00 0.00 H new ATOM 780 N THR B 12 4.527 -4.349 3.843 1.00 0.00 N ATOM 781 CA THR B 12 4.503 -4.368 2.367 1.00 0.00 C ATOM 782 C THR B 12 4.369 -2.941 1.809 1.00 0.00 C ATOM 783 O THR B 12 5.059 -2.507 0.887 1.00 0.00 O ATOM 784 CB THR B 12 3.321 -5.239 1.870 1.00 0.00 C ATOM 785 OG1 THR B 12 3.382 -6.526 2.492 1.00 0.00 O ATOM 786 CG2 THR B 12 3.327 -5.436 0.339 1.00 0.00 C ATOM 0 H THR B 12 3.793 -4.903 4.283 1.00 0.00 H new ATOM 0 HA THR B 12 5.441 -4.794 2.011 1.00 0.00 H new ATOM 0 HB THR B 12 2.405 -4.712 2.138 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.634 -7.076 2.179 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.477 -6.054 0.048 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.256 -4.466 -0.153 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.252 -5.928 0.039 1.00 0.00 H new ATOM 794 N LEU B 13 3.434 -2.200 2.411 1.00 0.00 N ATOM 795 CA LEU B 13 3.178 -0.794 2.038 1.00 0.00 C ATOM 796 C LEU B 13 4.372 0.130 2.320 1.00 0.00 C ATOM 797 O LEU B 13 4.556 1.169 1.687 1.00 0.00 O ATOM 798 CB LEU B 13 1.930 -0.257 2.776 1.00 0.00 C ATOM 799 CG LEU B 13 0.671 -1.140 2.630 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.532 -0.519 3.368 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.326 -1.443 1.156 1.00 0.00 C ATOM 0 H LEU B 13 2.837 -2.546 3.162 1.00 0.00 H new ATOM 0 HA LEU B 13 3.009 -0.790 0.961 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.166 -0.155 3.835 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.704 0.741 2.402 1.00 0.00 H new ATOM 0 HG LEU B 13 0.903 -2.096 3.099 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.404 -1.162 3.248 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.297 -0.420 4.428 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.747 0.465 2.951 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.567 -2.067 1.112 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.142 -0.509 0.626 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.159 -1.968 0.688 1.00 0.00 H new ATOM 813 N LYS B 14 5.180 -0.229 3.326 1.00 0.00 N ATOM 814 CA LYS B 14 6.410 0.530 3.639 1.00 0.00 C ATOM 815 C LYS B 14 7.426 0.427 2.495 1.00 0.00 C ATOM 816 O LYS B 14 8.037 1.396 2.047 1.00 0.00 O ATOM 817 CB LYS B 14 7.063 0.014 4.944 1.00 0.00 C ATOM 818 CG LYS B 14 6.196 0.199 6.208 1.00 0.00 C ATOM 819 CD LYS B 14 5.903 1.679 6.540 1.00 0.00 C ATOM 820 CE LYS B 14 5.028 1.848 7.800 1.00 0.00 C ATOM 821 NZ LYS B 14 5.701 1.256 8.967 1.00 0.00 N ATOM 0 H LYS B 14 5.012 -1.030 3.934 1.00 0.00 H new ATOM 0 HA LYS B 14 6.122 1.573 3.770 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.292 -1.045 4.827 1.00 0.00 H new ATOM 0 HB3 LYS B 14 8.012 0.531 5.090 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.252 -0.329 6.073 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.701 -0.263 7.057 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.845 2.208 6.684 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.403 2.145 5.691 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.836 2.906 7.979 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.061 1.370 7.647 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.231 1.575 9.838 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 5.651 0.219 8.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.697 1.555 8.982 1.00 0.00 H new ATOM 835 N SER B 15 7.607 -0.813 2.030 1.00 0.00 N ATOM 836 CA SER B 15 8.471 -1.102 0.870 1.00 0.00 C ATOM 837 C SER B 15 8.020 -0.320 -0.376 1.00 0.00 C ATOM 838 O SER B 15 8.803 0.172 -1.188 1.00 0.00 O ATOM 839 CB SER B 15 8.449 -2.619 0.582 1.00 0.00 C ATOM 840 OG SER B 15 8.864 -3.340 1.746 1.00 0.00 O ATOM 0 H SER B 15 7.167 -1.638 2.437 1.00 0.00 H new ATOM 0 HA SER B 15 9.486 -0.786 1.109 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.445 -2.928 0.290 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.109 -2.849 -0.254 1.00 0.00 H new ATOM 0 HG SER B 15 8.847 -4.302 1.559 1.00 0.00 H new ATOM 846 N MET B 16 6.694 -0.234 -0.520 1.00 0.00 N ATOM 847 CA MET B 16 6.064 0.577 -1.580 1.00 0.00 C ATOM 848 C MET B 16 6.388 2.071 -1.412 1.00 0.00 C ATOM 849 O MET B 16 6.771 2.785 -2.339 1.00 0.00 O ATOM 850 CB MET B 16 4.537 0.338 -1.523 1.00 0.00 C ATOM 851 CG MET B 16 3.751 1.076 -2.623 1.00 0.00 C ATOM 852 SD MET B 16 1.990 0.657 -2.626 1.00 0.00 S ATOM 853 CE MET B 16 1.456 1.375 -1.052 1.00 0.00 C ATOM 0 H MET B 16 6.029 -0.716 0.084 1.00 0.00 H new ATOM 0 HA MET B 16 6.457 0.277 -2.551 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.343 -0.731 -1.606 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.165 0.655 -0.549 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.864 2.151 -2.485 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.180 0.833 -3.595 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.390 1.196 -0.914 1.00 0.00 H new ATOM 0 HE2 MET B 16 2.010 0.913 -0.235 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.646 2.448 -1.058 1.00 0.00 H new ATOM 863 N ALA B 17 6.247 2.525 -0.163 1.00 0.00 N ATOM 864 CA ALA B 17 6.441 3.938 0.217 1.00 0.00 C ATOM 865 C ALA B 17 7.834 4.476 -0.140 1.00 0.00 C ATOM 866 O ALA B 17 8.042 5.667 -0.371 1.00 0.00 O ATOM 867 CB ALA B 17 6.206 4.095 1.735 1.00 0.00 C ATOM 0 H ALA B 17 5.994 1.924 0.621 1.00 0.00 H new ATOM 0 HA ALA B 17 5.719 4.523 -0.354 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.348 5.138 2.019 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.189 3.788 1.979 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.914 3.470 2.279 1.00 0.00 H new ATOM 873 N LYS B 18 8.809 3.559 -0.173 1.00 0.00 N ATOM 874 CA LYS B 18 10.209 3.888 -0.515 1.00 0.00 C ATOM 875 C LYS B 18 10.342 4.811 -1.737 1.00 0.00 C ATOM 876 O LYS B 18 11.190 5.702 -1.802 1.00 0.00 O ATOM 877 CB LYS B 18 11.002 2.589 -0.782 1.00 0.00 C ATOM 878 CG LYS B 18 11.068 1.637 0.435 1.00 0.00 C ATOM 879 CD LYS B 18 11.722 2.258 1.689 1.00 0.00 C ATOM 880 CE LYS B 18 13.184 2.693 1.459 1.00 0.00 C ATOM 881 NZ LYS B 18 13.731 3.251 2.704 1.00 0.00 N ATOM 0 H LYS B 18 8.657 2.572 0.034 1.00 0.00 H new ATOM 0 HA LYS B 18 10.613 4.427 0.342 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.546 2.062 -1.620 1.00 0.00 H new ATOM 0 HB3 LYS B 18 12.017 2.849 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.057 1.317 0.687 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.625 0.743 0.153 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.138 3.122 2.005 1.00 0.00 H new ATOM 0 HD3 LYS B 18 11.689 1.535 2.504 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.782 1.841 1.137 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.233 3.436 0.663 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.717 3.544 2.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.166 4.075 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.698 2.529 3.452 1.00 0.00 H new ATOM 895 N LYS B 19 9.473 4.582 -2.728 1.00 0.00 N ATOM 896 CA LYS B 19 9.467 5.409 -3.947 1.00 0.00 C ATOM 897 C LYS B 19 8.054 5.520 -4.544 1.00 0.00 C ATOM 898 O LYS B 19 7.719 5.017 -5.619 1.00 0.00 O ATOM 899 CB LYS B 19 10.468 4.812 -4.966 1.00 0.00 C ATOM 900 CG LYS B 19 10.685 5.708 -6.206 1.00 0.00 C ATOM 901 CD LYS B 19 11.697 5.117 -7.213 1.00 0.00 C ATOM 902 CE LYS B 19 13.118 4.975 -6.630 1.00 0.00 C ATOM 903 NZ LYS B 19 14.020 4.439 -7.660 1.00 0.00 N ATOM 0 H LYS B 19 8.772 3.841 -2.714 1.00 0.00 H new ATOM 0 HA LYS B 19 9.778 6.423 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.426 4.650 -4.472 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.107 3.836 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.730 5.861 -6.708 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.035 6.688 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.346 4.138 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.735 5.754 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.479 5.944 -6.284 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.103 4.313 -5.764 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.978 4.343 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.678 3.507 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.043 5.087 -8.473 1.00 0.00 H new ATOM 917 N CYS B 20 7.183 6.183 -3.774 1.00 0.00 N ATOM 918 CA CYS B 20 5.845 6.554 -4.272 1.00 0.00 C ATOM 919 C CYS B 20 5.811 7.965 -4.878 1.00 0.00 C ATOM 920 O CYS B 20 6.739 8.771 -4.793 1.00 0.00 O ATOM 921 CB CYS B 20 4.792 6.451 -3.149 1.00 0.00 C ATOM 922 SG CYS B 20 4.507 4.751 -2.611 1.00 0.00 S ATOM 0 H CYS B 20 7.373 6.473 -2.815 1.00 0.00 H new ATOM 0 HA CYS B 20 5.606 5.845 -5.064 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.117 7.047 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.852 6.879 -3.498 1.00 0.00 H new ATOM 927 N GLU B 21 4.668 8.252 -5.507 1.00 0.00 N ATOM 928 CA GLU B 21 4.440 9.546 -6.173 1.00 0.00 C ATOM 929 C GLU B 21 3.974 10.622 -5.182 1.00 0.00 C ATOM 930 O GLU B 21 3.340 10.363 -4.159 1.00 0.00 O ATOM 931 CB GLU B 21 3.352 9.345 -7.250 1.00 0.00 C ATOM 932 CG GLU B 21 3.739 8.274 -8.298 1.00 0.00 C ATOM 933 CD GLU B 21 2.573 8.022 -9.266 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.178 8.946 -9.976 1.00 0.00 O ATOM 935 OE2 GLU B 21 2.073 6.899 -9.301 1.00 0.00 O ATOM 0 H GLU B 21 3.881 7.606 -5.571 1.00 0.00 H new ATOM 0 HA GLU B 21 5.378 9.884 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.419 9.055 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.168 10.293 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.617 8.602 -8.855 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.009 7.345 -7.795 1.00 0.00 H new ATOM 942 N GLY B 22 4.288 11.872 -5.541 1.00 0.00 N ATOM 943 CA GLY B 22 3.920 13.062 -4.744 1.00 0.00 C ATOM 944 C GLY B 22 4.539 13.057 -3.339 1.00 0.00 C ATOM 945 O GLY B 22 5.652 13.522 -3.091 1.00 0.00 O ATOM 0 H GLY B 22 4.805 12.094 -6.392 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.240 13.960 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY B 22 2.835 13.113 -4.657 1.00 0.00 H new ATOM 949 N SER B 23 3.771 12.496 -2.404 1.00 0.00 N ATOM 950 CA SER B 23 4.212 12.314 -1.005 1.00 0.00 C ATOM 951 C SER B 23 3.310 11.297 -0.282 1.00 0.00 C ATOM 952 O SER B 23 2.963 11.388 0.896 1.00 0.00 O ATOM 953 CB SER B 23 4.193 13.677 -0.268 1.00 0.00 C ATOM 954 OG SER B 23 2.871 14.229 -0.281 1.00 0.00 O ATOM 0 H SER B 23 2.828 12.153 -2.586 1.00 0.00 H new ATOM 0 HA SER B 23 5.230 11.925 -1.004 1.00 0.00 H new ATOM 0 HB2 SER B 23 4.530 13.547 0.760 1.00 0.00 H new ATOM 0 HB3 SER B 23 4.888 14.367 -0.747 1.00 0.00 H new ATOM 0 HG SER B 23 2.871 15.089 0.189 1.00 0.00 H new ATOM 960 N ILE B 24 2.954 10.268 -1.053 1.00 0.00 N ATOM 961 CA ILE B 24 2.102 9.160 -0.585 1.00 0.00 C ATOM 962 C ILE B 24 2.763 8.342 0.530 1.00 0.00 C ATOM 963 O ILE B 24 2.120 7.837 1.448 1.00 0.00 O ATOM 964 CB ILE B 24 1.734 8.287 -1.814 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.675 8.987 -2.701 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.335 6.836 -1.469 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.694 9.196 -2.019 1.00 0.00 C ATOM 0 H ILE B 24 3.247 10.174 -2.025 1.00 0.00 H new ATOM 0 HA ILE B 24 1.195 9.565 -0.136 1.00 0.00 H new ATOM 0 HB ILE B 24 2.653 8.190 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.064 9.957 -3.012 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.530 8.397 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.094 6.297 -2.385 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.165 6.341 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.464 6.844 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.374 9.692 -2.712 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.109 8.230 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.567 9.814 -1.130 1.00 0.00 H new ATOM 979 N ALA B 25 4.089 8.202 0.417 1.00 0.00 N ATOM 980 CA ALA B 25 4.908 7.512 1.433 1.00 0.00 C ATOM 981 C ALA B 25 4.552 7.934 2.868 1.00 0.00 C ATOM 982 O ALA B 25 4.403 7.133 3.790 1.00 0.00 O ATOM 983 CB ALA B 25 6.387 7.852 1.166 1.00 0.00 C ATOM 0 H ALA B 25 4.626 8.559 -0.373 1.00 0.00 H new ATOM 0 HA ALA B 25 4.715 6.442 1.353 1.00 0.00 H new ATOM 0 HB1 ALA B 25 7.014 7.353 1.905 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.664 7.514 0.167 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.531 8.930 1.237 1.00 0.00 H new ATOM 989 N THR B 26 4.412 9.255 3.031 1.00 0.00 N ATOM 990 CA THR B 26 4.054 9.860 4.328 1.00 0.00 C ATOM 991 C THR B 26 2.719 9.320 4.863 1.00 0.00 C ATOM 992 O THR B 26 2.588 8.892 6.010 1.00 0.00 O ATOM 993 CB THR B 26 3.970 11.398 4.164 1.00 0.00 C ATOM 994 OG1 THR B 26 5.198 11.887 3.619 1.00 0.00 O ATOM 995 CG2 THR B 26 3.703 12.126 5.500 1.00 0.00 C ATOM 0 H THR B 26 4.541 9.932 2.279 1.00 0.00 H new ATOM 0 HA THR B 26 4.826 9.597 5.051 1.00 0.00 H new ATOM 0 HB THR B 26 3.132 11.601 3.497 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.145 12.860 3.513 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.654 13.201 5.325 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.757 11.783 5.919 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.510 11.909 6.200 1.00 0.00 H new ATOM 1003 N MET B 27 1.705 9.350 3.989 1.00 0.00 N ATOM 1004 CA MET B 27 0.352 8.874 4.338 1.00 0.00 C ATOM 1005 C MET B 27 0.352 7.412 4.808 1.00 0.00 C ATOM 1006 O MET B 27 -0.099 7.071 5.900 1.00 0.00 O ATOM 1007 CB MET B 27 -0.600 9.017 3.128 1.00 0.00 C ATOM 1008 CG MET B 27 -1.021 10.460 2.766 1.00 0.00 C ATOM 1009 SD MET B 27 0.350 11.602 2.452 1.00 0.00 S ATOM 1010 CE MET B 27 0.567 12.316 4.102 1.00 0.00 C ATOM 0 H MET B 27 1.792 9.698 3.034 1.00 0.00 H new ATOM 0 HA MET B 27 0.004 9.495 5.163 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.119 8.570 2.258 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.500 8.436 3.328 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.656 10.426 1.880 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.628 10.860 3.578 1.00 0.00 H new ATOM 0 HE1 MET B 27 1.401 13.017 4.088 1.00 0.00 H new ATOM 0 HE2 MET B 27 -0.343 12.840 4.394 1.00 0.00 H new ATOM 0 HE3 MET B 27 0.773 11.521 4.818 1.00 0.00 H new ATOM 1020 N ILE B 28 0.901 6.541 3.950 1.00 0.00 N ATOM 1021 CA ILE B 28 0.978 5.088 4.211 1.00 0.00 C ATOM 1022 C ILE B 28 1.417 4.778 5.651 1.00 0.00 C ATOM 1023 O ILE B 28 0.765 4.065 6.415 1.00 0.00 O ATOM 1024 CB ILE B 28 1.989 4.454 3.217 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.519 4.583 1.747 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.288 2.979 3.570 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.612 4.210 0.725 1.00 0.00 C ATOM 0 H ILE B 28 1.305 6.818 3.055 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.019 4.668 4.075 1.00 0.00 H new ATOM 0 HB ILE B 28 2.917 5.018 3.316 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.652 3.941 1.592 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.194 5.607 1.565 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.999 2.570 2.852 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.712 2.924 4.573 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.364 2.402 3.534 1.00 0.00 H new ATOM 0 HD11 ILE B 28 2.219 4.322 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.471 4.868 0.855 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.920 3.176 0.882 1.00 0.00 H new ATOM 1039 N LYS B 29 2.568 5.351 6.007 1.00 0.00 N ATOM 1040 CA LYS B 29 3.150 5.172 7.349 1.00 0.00 C ATOM 1041 C LYS B 29 2.213 5.680 8.449 1.00 0.00 C ATOM 1042 O LYS B 29 1.879 4.982 9.406 1.00 0.00 O ATOM 1043 CB LYS B 29 4.518 5.898 7.395 1.00 0.00 C ATOM 1044 CG LYS B 29 5.277 5.803 8.741 1.00 0.00 C ATOM 1045 CD LYS B 29 4.810 6.818 9.809 1.00 0.00 C ATOM 1046 CE LYS B 29 5.640 6.741 11.108 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.410 5.448 11.771 1.00 0.00 N ATOM 0 H LYS B 29 3.120 5.944 5.388 1.00 0.00 H new ATOM 0 HA LYS B 29 3.293 4.108 7.537 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.154 5.489 6.610 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.359 6.951 7.161 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.161 4.795 9.140 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.341 5.952 8.556 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.876 7.826 9.400 1.00 0.00 H new ATOM 0 HD3 LYS B 29 3.761 6.637 10.042 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.699 6.860 10.881 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.363 7.557 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 5.847 5.459 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.387 5.283 11.865 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.833 4.686 11.203 1.00 0.00 H new ATOM 1061 N LYS B 30 1.761 6.925 8.266 1.00 0.00 N ATOM 1062 CA LYS B 30 0.964 7.653 9.272 1.00 0.00 C ATOM 1063 C LYS B 30 -0.233 6.847 9.799 1.00 0.00 C ATOM 1064 O LYS B 30 -0.406 6.633 10.999 1.00 0.00 O ATOM 1065 CB LYS B 30 0.499 8.991 8.641 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.276 9.951 9.575 1.00 0.00 C ATOM 1067 CD LYS B 30 -1.740 9.537 9.867 1.00 0.00 C ATOM 1068 CE LYS B 30 -2.494 10.577 10.720 1.00 0.00 C ATOM 1069 NZ LYS B 30 -2.584 11.851 9.992 1.00 0.00 N ATOM 0 H LYS B 30 1.935 7.462 7.416 1.00 0.00 H new ATOM 0 HA LYS B 30 1.594 7.834 10.143 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.377 9.515 8.262 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.132 8.764 7.782 1.00 0.00 H new ATOM 0 HG2 LYS B 30 0.260 10.026 10.521 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -0.277 10.946 9.129 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.268 9.395 8.924 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.746 8.577 10.383 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -3.493 10.211 10.955 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.977 10.726 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.308 12.453 10.434 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -1.664 12.335 10.025 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.843 11.667 9.002 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.071 6.388 8.864 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.302 5.652 9.217 1.00 0.00 C ATOM 1085 C LYS B 31 -2.042 4.425 10.100 1.00 0.00 C ATOM 1086 O LYS B 31 -2.718 4.176 11.100 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.085 5.234 7.949 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.864 6.390 7.280 1.00 0.00 C ATOM 1089 CD LYS B 31 -2.967 7.475 6.657 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.762 8.653 6.068 1.00 0.00 C ATOM 1091 NZ LYS B 31 -2.821 9.648 5.534 1.00 0.00 N ATOM 0 H LYS B 31 -0.926 6.509 7.862 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.905 6.346 9.803 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.386 4.814 7.225 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.786 4.442 8.212 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.509 5.978 6.504 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.514 6.853 8.022 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.282 7.851 7.417 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -2.358 7.027 5.872 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -4.426 8.301 5.278 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.391 9.104 6.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -3.108 10.598 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -1.863 9.443 5.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -2.825 9.607 4.495 1.00 0.00 H new ATOM 1105 N CYS B 32 -1.034 3.638 9.711 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.707 2.398 10.442 1.00 0.00 C ATOM 1107 C CYS B 32 -0.167 2.695 11.849 1.00 0.00 C ATOM 1108 O CYS B 32 -0.702 2.268 12.872 1.00 0.00 O ATOM 1109 CB CYS B 32 0.309 1.567 9.632 1.00 0.00 C ATOM 1110 SG CYS B 32 0.331 -0.158 10.186 1.00 0.00 S ATOM 0 H CYS B 32 -0.435 3.828 8.907 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.625 1.823 10.563 1.00 0.00 H new ATOM 0 HB2 CYS B 32 0.055 1.609 8.573 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.304 1.999 9.739 1.00 0.00 H new