USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 LYS NZ :NH3+ -112:sc= -1.57 (180deg=-1.59) USER MOD Set 1.2: B 29 LYS NZ :NH3+ 162:sc= -1.39 (180deg=-0.942) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 177:sc= -0.598 (180deg=-1.12) USER MOD Set 2.2: A 10 THR OG1 : rot -110:sc= 0.285 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc=-0.00743 (180deg=-0.149) USER MOD Single : A 23 SER OG : rot -5:sc= 0.545 USER MOD Single : A 28 THR OG1 : rot 76:sc= 0.51 USER MOD Single : A 29 TYR OH : rot -135:sc= 0.504 USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -2.31 (180deg=-3.4) USER MOD Single : A 36 LYS NZ :NH3+ -132:sc= -2.98! (180deg=-6.87!) USER MOD Single : B 1 TRP N :NH3+ 158:sc= -3.43 (180deg=-4.27!) USER MOD Single : B 2 SER OG : rot 180:sc= 0.0369 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -172:sc= 0.286 (180deg=0.174) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot -130:sc= -0.0934 USER MOD Single : B 15 SER OG : rot 82:sc= 0.306 USER MOD Single : B 16 MET CE :methyl -179:sc= -0.642 (180deg=-0.646) USER MOD Single : B 18 LYS NZ :NH3+ 168:sc= -0.0151 (180deg=-0.218) USER MOD Single : B 19 LYS NZ :NH3+ -146:sc= -1.82 (180deg=-5.03!) 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 -140:sc= -0.0528 (180deg=-0.382) USER MOD Single : B 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0598) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -167:sc= -0.364 (180deg=-0.718) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.143 -16.574 1.211 1.00 0.00 N ATOM 2 CA GLY A 1 2.069 -16.798 2.330 1.00 0.00 C ATOM 3 C GLY A 1 2.205 -15.541 3.193 1.00 0.00 C ATOM 4 O GLY A 1 1.864 -15.498 4.376 1.00 0.00 O ATOM 0 H1 GLY A 1 1.069 -17.442 0.642 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.205 -16.322 1.582 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.499 -15.799 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.711 -17.626 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.047 -17.086 1.945 1.00 0.00 H new ATOM 10 N VAL A 2 2.730 -14.490 2.558 1.00 0.00 N ATOM 11 CA VAL A 2 2.879 -13.175 3.215 1.00 0.00 C ATOM 12 C VAL A 2 1.513 -12.589 3.611 1.00 0.00 C ATOM 13 O VAL A 2 1.280 -12.119 4.724 1.00 0.00 O ATOM 14 CB VAL A 2 3.671 -12.210 2.292 1.00 0.00 C ATOM 15 CG1 VAL A 2 2.987 -11.940 0.931 1.00 0.00 C ATOM 16 CG2 VAL A 2 4.016 -10.888 3.011 1.00 0.00 C ATOM 0 H VAL A 2 3.060 -14.517 1.593 1.00 0.00 H new ATOM 0 HA VAL A 2 3.444 -13.308 4.138 1.00 0.00 H new ATOM 0 HB VAL A 2 4.600 -12.732 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.601 -11.257 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.870 -12.879 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.007 -11.493 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.570 -10.239 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.096 -10.391 3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.626 -11.100 3.889 1.00 0.00 H new ATOM 26 N ILE A 3 0.592 -12.641 2.645 1.00 0.00 N ATOM 27 CA ILE A 3 -0.794 -12.174 2.839 1.00 0.00 C ATOM 28 C ILE A 3 -1.744 -13.074 2.033 1.00 0.00 C ATOM 29 O ILE A 3 -1.489 -13.387 0.868 1.00 0.00 O ATOM 30 CB ILE A 3 -0.919 -10.703 2.353 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.020 -9.756 3.188 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.389 -10.222 2.329 1.00 0.00 C ATOM 33 CD1 ILE A 3 -0.145 -8.263 2.824 1.00 0.00 C ATOM 0 H ILE A 3 0.779 -13.004 1.710 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.057 -12.222 3.896 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.562 -10.673 1.324 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.265 -9.881 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.019 -10.061 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.428 -9.189 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.967 -10.853 1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.809 -10.285 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.520 -7.677 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.131 -8.119 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.174 -7.936 2.976 1.00 0.00 H new ATOM 45 N PRO A 4 -2.869 -13.509 2.620 1.00 0.00 N ATOM 46 CA PRO A 4 -3.844 -14.381 1.944 1.00 0.00 C ATOM 47 C PRO A 4 -4.730 -13.615 0.953 1.00 0.00 C ATOM 48 O PRO A 4 -4.810 -12.388 0.921 1.00 0.00 O ATOM 49 CB PRO A 4 -4.681 -14.923 3.110 1.00 0.00 C ATOM 50 CG PRO A 4 -4.716 -13.742 4.068 1.00 0.00 C ATOM 51 CD PRO A 4 -3.278 -13.206 4.002 1.00 0.00 C ATOM 0 HA PRO A 4 -3.362 -15.153 1.344 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.681 -15.215 2.790 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.222 -15.801 3.565 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.442 -12.991 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.987 -14.049 5.078 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.237 -12.137 4.209 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.632 -13.696 4.730 1.00 0.00 H new ATOM 59 N LYS A 5 -5.442 -14.409 0.150 1.00 0.00 N ATOM 60 CA LYS A 5 -6.325 -13.886 -0.909 1.00 0.00 C ATOM 61 C LYS A 5 -7.321 -12.851 -0.368 1.00 0.00 C ATOM 62 O LYS A 5 -7.371 -11.696 -0.791 1.00 0.00 O ATOM 63 CB LYS A 5 -7.083 -15.080 -1.531 1.00 0.00 C ATOM 64 CG LYS A 5 -8.042 -14.687 -2.673 1.00 0.00 C ATOM 65 CD LYS A 5 -8.786 -15.911 -3.242 1.00 0.00 C ATOM 66 CE LYS A 5 -9.741 -15.536 -4.389 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.431 -16.740 -4.871 1.00 0.00 N ATOM 0 H LYS A 5 -5.427 -15.427 0.210 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.718 -13.378 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.358 -15.800 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.652 -15.583 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.766 -13.960 -2.306 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.479 -14.201 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.059 -16.640 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.352 -16.392 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.469 -14.801 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.183 -15.074 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.076 -16.484 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.730 -17.427 -5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.976 -17.163 -4.093 1.00 0.00 H new ATOM 81 N LYS A 6 -8.092 -13.295 0.628 1.00 0.00 N ATOM 82 CA LYS A 6 -9.178 -12.497 1.234 1.00 0.00 C ATOM 83 C LYS A 6 -8.728 -11.070 1.584 1.00 0.00 C ATOM 84 O LYS A 6 -9.340 -10.072 1.205 1.00 0.00 O ATOM 85 CB LYS A 6 -9.660 -13.252 2.498 1.00 0.00 C ATOM 86 CG LYS A 6 -10.996 -12.763 3.109 1.00 0.00 C ATOM 87 CD LYS A 6 -10.962 -11.377 3.788 1.00 0.00 C ATOM 88 CE LYS A 6 -9.959 -11.295 4.957 1.00 0.00 C ATOM 89 NZ LYS A 6 -10.035 -9.962 5.572 1.00 0.00 N ATOM 0 H LYS A 6 -7.986 -14.221 1.043 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.990 -12.385 0.516 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.761 -14.309 2.250 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.885 -13.176 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.747 -12.741 2.319 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.327 -13.497 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.706 -10.622 3.045 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.959 -11.136 4.156 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.183 -12.063 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.948 -11.485 4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.397 -9.921 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.752 -9.242 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.010 -9.778 5.883 1.00 0.00 H new ATOM 103 N ILE A 7 -7.605 -10.993 2.308 1.00 0.00 N ATOM 104 CA ILE A 7 -7.029 -9.702 2.736 1.00 0.00 C ATOM 105 C ILE A 7 -6.806 -8.727 1.569 1.00 0.00 C ATOM 106 O ILE A 7 -7.061 -7.530 1.673 1.00 0.00 O ATOM 107 CB ILE A 7 -5.706 -9.940 3.517 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.955 -10.666 4.863 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.895 -8.639 3.739 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.703 -9.808 5.904 1.00 0.00 C ATOM 0 H ILE A 7 -7.073 -11.808 2.613 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.758 -9.229 3.394 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.101 -10.590 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.528 -11.574 4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.997 -10.975 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.983 -8.868 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.637 -8.202 2.774 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.494 -7.930 4.310 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.840 -10.384 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.122 -8.912 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.677 -9.521 5.507 1.00 0.00 H new ATOM 122 N TRP A 8 -6.303 -9.244 0.442 1.00 0.00 N ATOM 123 CA TRP A 8 -6.069 -8.400 -0.752 1.00 0.00 C ATOM 124 C TRP A 8 -7.325 -7.648 -1.223 1.00 0.00 C ATOM 125 O TRP A 8 -7.292 -6.474 -1.600 1.00 0.00 O ATOM 126 CB TRP A 8 -5.471 -9.226 -1.911 1.00 0.00 C ATOM 127 CG TRP A 8 -4.053 -9.675 -1.545 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.603 -10.994 -1.369 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.925 -8.862 -1.321 1.00 0.00 C ATOM 130 NE1 TRP A 8 -2.281 -11.020 -1.052 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.841 -9.728 -1.020 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.727 -7.479 -1.356 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.582 -9.178 -0.768 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.463 -6.948 -1.099 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.393 -7.796 -0.807 1.00 0.00 C ATOM 0 H TRP A 8 -6.051 -10.225 0.324 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.347 -7.643 -0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.098 -10.095 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.450 -8.629 -2.823 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -4.225 -11.871 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.720 -11.853 -0.871 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.553 -6.821 -1.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.251 -9.827 -0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.312 -5.879 -1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.584 -7.381 -0.611 1.00 0.00 H new ATOM 146 N GLU A 9 -8.460 -8.351 -1.218 1.00 0.00 N ATOM 147 CA GLU A 9 -9.755 -7.713 -1.534 1.00 0.00 C ATOM 148 C GLU A 9 -10.175 -6.680 -0.478 1.00 0.00 C ATOM 149 O GLU A 9 -10.709 -5.610 -0.770 1.00 0.00 O ATOM 150 CB GLU A 9 -10.879 -8.759 -1.722 1.00 0.00 C ATOM 151 CG GLU A 9 -10.708 -9.614 -2.999 1.00 0.00 C ATOM 152 CD GLU A 9 -9.603 -10.659 -2.810 1.00 0.00 C ATOM 153 OE1 GLU A 9 -9.860 -11.660 -2.140 1.00 0.00 O ATOM 154 OE2 GLU A 9 -8.501 -10.462 -3.320 1.00 0.00 O ATOM 0 H GLU A 9 -8.517 -9.347 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.605 -7.187 -2.477 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.904 -9.416 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.840 -8.247 -1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.648 -10.111 -3.238 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.465 -8.970 -3.844 1.00 0.00 H new ATOM 161 N THR A 10 -9.936 -7.031 0.788 1.00 0.00 N ATOM 162 CA THR A 10 -10.278 -6.154 1.929 1.00 0.00 C ATOM 163 C THR A 10 -9.579 -4.788 1.841 1.00 0.00 C ATOM 164 O THR A 10 -10.164 -3.717 2.011 1.00 0.00 O ATOM 165 CB THR A 10 -9.891 -6.862 3.249 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.587 -8.109 3.331 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.219 -6.030 4.508 1.00 0.00 C ATOM 0 H THR A 10 -9.507 -7.916 1.057 1.00 0.00 H new ATOM 0 HA THR A 10 -11.352 -5.968 1.901 1.00 0.00 H new ATOM 0 HB THR A 10 -8.810 -7.004 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.267 -8.058 4.035 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.922 -6.585 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.676 -5.085 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.290 -5.832 4.544 1.00 0.00 H new ATOM 175 N VAL A 11 -8.274 -4.850 1.568 1.00 0.00 N ATOM 176 CA VAL A 11 -7.421 -3.650 1.510 1.00 0.00 C ATOM 177 C VAL A 11 -7.717 -2.748 0.302 1.00 0.00 C ATOM 178 O VAL A 11 -7.590 -1.526 0.373 1.00 0.00 O ATOM 179 CB VAL A 11 -5.920 -4.030 1.573 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.576 -4.738 2.903 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.447 -4.857 0.360 1.00 0.00 C ATOM 0 H VAL A 11 -7.778 -5.722 1.382 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.667 -3.060 2.392 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.369 -3.090 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.516 -4.992 2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.801 -4.074 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.168 -5.649 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.387 -5.089 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.018 -5.784 0.307 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.601 -4.283 -0.554 1.00 0.00 H new ATOM 191 N CYS A 12 -8.134 -3.382 -0.806 1.00 0.00 N ATOM 192 CA CYS A 12 -8.384 -2.723 -2.112 1.00 0.00 C ATOM 193 C CYS A 12 -8.658 -1.206 -2.091 1.00 0.00 C ATOM 194 O CYS A 12 -7.861 -0.436 -2.625 1.00 0.00 O ATOM 195 CB CYS A 12 -9.564 -3.414 -2.834 1.00 0.00 C ATOM 196 SG CYS A 12 -9.107 -4.829 -3.863 1.00 0.00 S ATOM 0 H CYS A 12 -8.312 -4.386 -0.826 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.435 -2.837 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.284 -3.745 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.069 -2.678 -3.459 1.00 0.00 H new ATOM 201 N PRO A 13 -9.757 -0.724 -1.492 1.00 0.00 N ATOM 202 CA PRO A 13 -10.139 0.701 -1.532 1.00 0.00 C ATOM 203 C PRO A 13 -9.123 1.628 -0.849 1.00 0.00 C ATOM 204 O PRO A 13 -8.706 2.664 -1.365 1.00 0.00 O ATOM 205 CB PRO A 13 -11.501 0.735 -0.813 1.00 0.00 C ATOM 206 CG PRO A 13 -11.433 -0.452 0.137 1.00 0.00 C ATOM 207 CD PRO A 13 -10.715 -1.517 -0.700 1.00 0.00 C ATOM 0 HA PRO A 13 -10.179 1.072 -2.556 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.647 1.672 -0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.328 0.639 -1.516 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.881 -0.212 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.426 -0.781 0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.210 -2.251 -0.072 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.409 -2.066 -1.337 1.00 0.00 H new ATOM 215 N THR A 14 -8.726 1.219 0.355 1.00 0.00 N ATOM 216 CA THR A 14 -7.782 1.990 1.188 1.00 0.00 C ATOM 217 C THR A 14 -6.399 2.128 0.527 1.00 0.00 C ATOM 218 O THR A 14 -5.795 3.200 0.465 1.00 0.00 O ATOM 219 CB THR A 14 -7.655 1.282 2.557 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.947 1.169 3.162 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.716 2.015 3.537 1.00 0.00 C ATOM 0 H THR A 14 -9.043 0.350 0.786 1.00 0.00 H new ATOM 0 HA THR A 14 -8.170 3.001 1.311 1.00 0.00 H new ATOM 0 HB THR A 14 -7.223 0.301 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.864 0.719 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.672 1.466 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.717 2.077 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.095 3.020 3.721 1.00 0.00 H new ATOM 229 N VAL A 15 -5.889 0.993 0.042 1.00 0.00 N ATOM 230 CA VAL A 15 -4.564 0.941 -0.612 1.00 0.00 C ATOM 231 C VAL A 15 -4.524 1.643 -1.978 1.00 0.00 C ATOM 232 O VAL A 15 -3.531 2.251 -2.375 1.00 0.00 O ATOM 233 CB VAL A 15 -4.059 -0.518 -0.738 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.933 -1.177 0.650 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.905 -1.384 -1.697 1.00 0.00 C ATOM 0 H VAL A 15 -6.368 0.094 0.086 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.891 1.497 0.041 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.068 -0.460 -1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.577 -2.201 0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.226 -0.613 1.258 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.907 -1.184 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.493 -2.392 -1.736 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.933 -1.426 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.886 -0.946 -2.695 1.00 0.00 H new ATOM 245 N GLU A 16 -5.649 1.543 -2.697 1.00 0.00 N ATOM 246 CA GLU A 16 -5.779 2.041 -4.083 1.00 0.00 C ATOM 247 C GLU A 16 -5.152 3.426 -4.336 1.00 0.00 C ATOM 248 O GLU A 16 -4.304 3.552 -5.217 1.00 0.00 O ATOM 249 CB GLU A 16 -7.273 2.059 -4.481 1.00 0.00 C ATOM 250 CG GLU A 16 -7.529 2.597 -5.907 1.00 0.00 C ATOM 251 CD GLU A 16 -9.033 2.564 -6.214 1.00 0.00 C ATOM 252 OE1 GLU A 16 -9.785 3.293 -5.566 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.437 1.810 -7.097 1.00 0.00 O ATOM 0 H GLU A 16 -6.501 1.114 -2.337 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.211 1.350 -4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.672 1.047 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.823 2.672 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.153 3.617 -5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.987 1.994 -6.636 1.00 0.00 H new ATOM 260 N PRO A 17 -5.517 4.489 -3.600 1.00 0.00 N ATOM 261 CA PRO A 17 -4.992 5.848 -3.828 1.00 0.00 C ATOM 262 C PRO A 17 -3.460 5.920 -3.812 1.00 0.00 C ATOM 263 O PRO A 17 -2.817 6.547 -4.653 1.00 0.00 O ATOM 264 CB PRO A 17 -5.607 6.691 -2.695 1.00 0.00 C ATOM 265 CG PRO A 17 -5.956 5.666 -1.627 1.00 0.00 C ATOM 266 CD PRO A 17 -6.445 4.474 -2.459 1.00 0.00 C ATOM 0 HA PRO A 17 -5.260 6.209 -4.821 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.902 7.434 -2.321 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.490 7.232 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.092 5.407 -1.015 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.728 6.032 -0.950 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.390 3.539 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.481 4.596 -2.775 1.00 0.00 H new ATOM 274 N TRP A 18 -2.871 5.245 -2.820 1.00 0.00 N ATOM 275 CA TRP A 18 -1.403 5.211 -2.690 1.00 0.00 C ATOM 276 C TRP A 18 -0.748 4.483 -3.870 1.00 0.00 C ATOM 277 O TRP A 18 0.091 5.014 -4.593 1.00 0.00 O ATOM 278 CB TRP A 18 -0.969 4.527 -1.372 1.00 0.00 C ATOM 279 CG TRP A 18 -1.674 5.152 -0.165 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.803 6.519 0.140 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.312 4.473 0.886 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.488 6.696 1.299 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.811 5.458 1.776 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.496 3.119 1.163 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.504 5.052 2.919 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.190 2.729 2.310 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.693 3.695 3.183 1.00 0.00 C ATOM 0 H TRP A 18 -3.374 4.721 -2.104 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.069 6.248 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.198 3.462 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.111 4.616 -1.252 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.410 7.321 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.719 7.590 1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.102 2.372 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.895 5.792 3.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.338 1.680 2.522 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.232 3.390 4.068 1.00 0.00 H new ATOM 298 N ALA A 19 -1.180 3.233 -4.068 1.00 0.00 N ATOM 299 CA ALA A 19 -0.616 2.341 -5.103 1.00 0.00 C ATOM 300 C ALA A 19 -0.600 2.972 -6.503 1.00 0.00 C ATOM 301 O ALA A 19 0.394 2.952 -7.228 1.00 0.00 O ATOM 302 CB ALA A 19 -1.427 1.030 -5.123 1.00 0.00 C ATOM 0 H ALA A 19 -1.928 2.806 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 19 0.425 2.151 -4.843 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.021 0.362 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.365 0.549 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.469 1.250 -5.353 1.00 0.00 H new ATOM 308 N LYS A 20 -1.751 3.539 -6.882 1.00 0.00 N ATOM 309 CA LYS A 20 -1.869 4.305 -8.140 1.00 0.00 C ATOM 310 C LYS A 20 -0.821 5.424 -8.217 1.00 0.00 C ATOM 311 O LYS A 20 -0.068 5.575 -9.178 1.00 0.00 O ATOM 312 CB LYS A 20 -3.279 4.935 -8.245 1.00 0.00 C ATOM 313 CG LYS A 20 -4.422 3.914 -8.432 1.00 0.00 C ATOM 314 CD LYS A 20 -4.306 3.075 -9.724 1.00 0.00 C ATOM 315 CE LYS A 20 -4.341 3.932 -11.007 1.00 0.00 C ATOM 316 NZ LYS A 20 -4.248 3.057 -12.184 1.00 0.00 N ATOM 0 H LYS A 20 -2.614 3.485 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.702 3.611 -8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.472 5.517 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.291 5.632 -9.083 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.440 3.242 -7.574 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.373 4.446 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.376 2.507 -9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.121 2.352 -9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.263 4.512 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.516 4.644 -11.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.272 3.634 -13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.357 2.522 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.050 2.394 -12.188 1.00 0.00 H new ATOM 330 N LYS A 21 -0.799 6.229 -7.153 1.00 0.00 N ATOM 331 CA LYS A 21 0.158 7.344 -7.025 1.00 0.00 C ATOM 332 C LYS A 21 1.488 6.879 -6.397 1.00 0.00 C ATOM 333 O LYS A 21 2.007 7.410 -5.416 1.00 0.00 O ATOM 334 CB LYS A 21 -0.501 8.440 -6.157 1.00 0.00 C ATOM 335 CG LYS A 21 -1.814 8.980 -6.760 1.00 0.00 C ATOM 336 CD LYS A 21 -2.492 10.022 -5.846 1.00 0.00 C ATOM 337 CE LYS A 21 -3.826 10.546 -6.417 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.593 11.224 -7.700 1.00 0.00 N ATOM 0 H LYS A 21 -1.434 6.133 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 21 0.397 7.735 -8.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.703 8.037 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.200 9.265 -6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.607 9.431 -7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.500 8.151 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.672 9.577 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.813 10.861 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.522 9.718 -6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.287 11.236 -5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.454 11.732 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.810 11.900 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.350 10.520 -8.426 1.00 0.00 H new ATOM 352 N CYS A 22 2.060 5.842 -7.014 1.00 0.00 N ATOM 353 CA CYS A 22 3.326 5.255 -6.536 1.00 0.00 C ATOM 354 C CYS A 22 4.026 4.488 -7.668 1.00 0.00 C ATOM 355 O CYS A 22 3.527 4.323 -8.781 1.00 0.00 O ATOM 356 CB CYS A 22 3.021 4.295 -5.357 1.00 0.00 C ATOM 357 SG CYS A 22 4.510 3.768 -4.479 1.00 0.00 S ATOM 0 H CYS A 22 1.673 5.389 -7.842 1.00 0.00 H new ATOM 0 HA CYS A 22 3.990 6.053 -6.203 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.348 4.790 -4.657 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.498 3.417 -5.736 1.00 0.00 H new ATOM 362 N SER A 23 5.232 4.007 -7.355 1.00 0.00 N ATOM 363 CA SER A 23 6.047 3.257 -8.332 1.00 0.00 C ATOM 364 C SER A 23 6.975 2.241 -7.648 1.00 0.00 C ATOM 365 O SER A 23 7.036 2.084 -6.427 1.00 0.00 O ATOM 366 CB SER A 23 6.867 4.262 -9.179 1.00 0.00 C ATOM 367 OG SER A 23 7.729 5.036 -8.337 1.00 0.00 O ATOM 0 H SER A 23 5.669 4.119 -6.440 1.00 0.00 H new ATOM 0 HA SER A 23 5.378 2.687 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.458 3.725 -9.921 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.193 4.922 -9.726 1.00 0.00 H new ATOM 0 HG SER A 23 7.551 4.818 -7.398 1.00 0.00 H new ATOM 373 N GLY A 24 7.723 1.530 -8.494 1.00 0.00 N ATOM 374 CA GLY A 24 8.632 0.463 -8.036 1.00 0.00 C ATOM 375 C GLY A 24 7.969 -0.920 -8.048 1.00 0.00 C ATOM 376 O GLY A 24 6.783 -1.111 -8.318 1.00 0.00 O ATOM 0 H GLY A 24 7.721 1.670 -9.504 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.515 0.444 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.973 0.690 -7.026 1.00 0.00 H new ATOM 380 N ASP A 25 8.802 -1.909 -7.723 1.00 0.00 N ATOM 381 CA ASP A 25 8.400 -3.331 -7.740 1.00 0.00 C ATOM 382 C ASP A 25 7.235 -3.635 -6.793 1.00 0.00 C ATOM 383 O ASP A 25 6.265 -4.315 -7.124 1.00 0.00 O ATOM 384 CB ASP A 25 9.616 -4.202 -7.346 1.00 0.00 C ATOM 385 CG ASP A 25 10.777 -3.974 -8.325 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.652 -4.351 -9.491 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.791 -3.413 -7.913 1.00 0.00 O ATOM 0 H ASP A 25 9.770 -1.757 -7.441 1.00 0.00 H new ATOM 0 HA ASP A 25 8.060 -3.560 -8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.933 -3.958 -6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.333 -5.255 -7.346 1.00 0.00 H new ATOM 392 N ILE A 26 7.360 -3.115 -5.570 1.00 0.00 N ATOM 393 CA ILE A 26 6.345 -3.328 -4.520 1.00 0.00 C ATOM 394 C ILE A 26 4.972 -2.795 -4.952 1.00 0.00 C ATOM 395 O ILE A 26 3.937 -3.453 -4.844 1.00 0.00 O ATOM 396 CB ILE A 26 6.788 -2.635 -3.207 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.228 -3.015 -2.785 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.783 -2.928 -2.069 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.429 -4.521 -2.512 1.00 0.00 C ATOM 0 H ILE A 26 8.152 -2.543 -5.276 1.00 0.00 H new ATOM 0 HA ILE A 26 6.255 -4.401 -4.354 1.00 0.00 H new ATOM 0 HB ILE A 26 6.795 -1.563 -3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.919 -2.704 -3.569 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.491 -2.456 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.113 -2.432 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.798 -2.555 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.729 -4.003 -1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.464 -4.703 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.766 -4.837 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.200 -5.088 -3.414 1.00 0.00 H new ATOM 411 N ALA A 27 4.981 -1.554 -5.454 1.00 0.00 N ATOM 412 CA ALA A 27 3.759 -0.903 -5.966 1.00 0.00 C ATOM 413 C ALA A 27 3.043 -1.766 -7.015 1.00 0.00 C ATOM 414 O ALA A 27 1.825 -1.948 -7.011 1.00 0.00 O ATOM 415 CB ALA A 27 4.126 0.462 -6.583 1.00 0.00 C ATOM 0 H ALA A 27 5.819 -0.977 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 27 3.076 -0.769 -5.127 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.225 0.944 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.583 1.094 -5.822 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.830 0.314 -7.402 1.00 0.00 H new ATOM 421 N THR A 28 3.849 -2.311 -7.932 1.00 0.00 N ATOM 422 CA THR A 28 3.343 -3.182 -9.012 1.00 0.00 C ATOM 423 C THR A 28 2.626 -4.426 -8.463 1.00 0.00 C ATOM 424 O THR A 28 1.525 -4.793 -8.875 1.00 0.00 O ATOM 425 CB THR A 28 4.522 -3.611 -9.921 1.00 0.00 C ATOM 426 OG1 THR A 28 5.164 -2.444 -10.445 1.00 0.00 O ATOM 427 CG2 THR A 28 4.079 -4.501 -11.102 1.00 0.00 C ATOM 0 H THR A 28 4.859 -2.167 -7.952 1.00 0.00 H new ATOM 0 HA THR A 28 2.613 -2.613 -9.587 1.00 0.00 H new ATOM 0 HB THR A 28 5.203 -4.197 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.716 -2.033 -9.747 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.949 -4.769 -11.702 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.610 -5.407 -10.719 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.365 -3.956 -11.720 1.00 0.00 H new ATOM 435 N TYR A 29 3.287 -5.088 -7.506 1.00 0.00 N ATOM 436 CA TYR A 29 2.741 -6.305 -6.872 1.00 0.00 C ATOM 437 C TYR A 29 1.357 -6.062 -6.258 1.00 0.00 C ATOM 438 O TYR A 29 0.363 -6.703 -6.586 1.00 0.00 O ATOM 439 CB TYR A 29 3.712 -6.801 -5.775 1.00 0.00 C ATOM 440 CG TYR A 29 3.140 -7.939 -4.955 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.849 -9.166 -5.557 1.00 0.00 C ATOM 442 CD2 TYR A 29 2.863 -7.748 -3.598 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.270 -10.193 -4.809 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.283 -8.775 -2.849 1.00 0.00 C ATOM 445 CZ TYR A 29 1.981 -9.995 -3.456 1.00 0.00 C ATOM 446 OH TYR A 29 1.385 -11.002 -2.722 1.00 0.00 O ATOM 0 H TYR A 29 4.200 -4.806 -7.150 1.00 0.00 H new ATOM 0 HA TYR A 29 2.632 -7.061 -7.649 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.643 -7.126 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.960 -5.971 -5.113 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.072 -9.320 -6.602 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.098 -6.805 -3.128 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.045 -11.141 -5.276 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.069 -8.625 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 29 0.657 -10.627 -2.183 1.00 0.00 H new ATOM 456 N ILE A 30 1.322 -5.095 -5.339 1.00 0.00 N ATOM 457 CA ILE A 30 0.091 -4.715 -4.613 1.00 0.00 C ATOM 458 C ILE A 30 -1.071 -4.429 -5.577 1.00 0.00 C ATOM 459 O ILE A 30 -2.208 -4.873 -5.410 1.00 0.00 O ATOM 460 CB ILE A 30 0.404 -3.460 -3.755 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.498 -3.776 -2.705 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.864 -2.885 -3.081 1.00 0.00 C ATOM 463 CD1 ILE A 30 2.051 -2.521 -2.001 1.00 0.00 C ATOM 0 H ILE A 30 2.141 -4.549 -5.072 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.221 -5.544 -3.978 1.00 0.00 H new ATOM 0 HB ILE A 30 0.782 -2.691 -4.428 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.087 -4.453 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.319 -4.301 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.597 -2.008 -2.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.586 -2.601 -3.847 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.304 -3.640 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.813 -2.815 -1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.491 -1.853 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.241 -2.007 -1.484 1.00 0.00 H new ATOM 475 N LYS A 31 -0.743 -3.655 -6.614 1.00 0.00 N ATOM 476 CA LYS A 31 -1.711 -3.277 -7.657 1.00 0.00 C ATOM 477 C LYS A 31 -2.353 -4.510 -8.312 1.00 0.00 C ATOM 478 O LYS A 31 -3.549 -4.567 -8.598 1.00 0.00 O ATOM 479 CB LYS A 31 -0.984 -2.432 -8.732 1.00 0.00 C ATOM 480 CG LYS A 31 -1.927 -1.683 -9.703 1.00 0.00 C ATOM 481 CD LYS A 31 -2.434 -0.318 -9.174 1.00 0.00 C ATOM 482 CE LYS A 31 -3.214 -0.391 -7.844 1.00 0.00 C ATOM 483 NZ LYS A 31 -3.692 0.948 -7.479 1.00 0.00 N ATOM 0 H LYS A 31 0.192 -3.273 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.510 -2.699 -7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.344 -1.704 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.332 -3.086 -9.311 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.405 -1.523 -10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.786 -2.318 -9.918 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.579 0.345 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.075 0.134 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.057 -1.075 -7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.573 -0.787 -7.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.876 0.984 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.969 1.654 -7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.570 1.156 -7.996 1.00 0.00 H new ATOM 497 N ARG A 32 -1.511 -5.518 -8.562 1.00 0.00 N ATOM 498 CA ARG A 32 -1.970 -6.794 -9.142 1.00 0.00 C ATOM 499 C ARG A 32 -2.913 -7.568 -8.205 1.00 0.00 C ATOM 500 O ARG A 32 -3.941 -8.109 -8.607 1.00 0.00 O ATOM 501 CB ARG A 32 -0.756 -7.682 -9.499 1.00 0.00 C ATOM 502 CG ARG A 32 -1.188 -9.002 -10.170 1.00 0.00 C ATOM 503 CD ARG A 32 -0.009 -9.932 -10.510 1.00 0.00 C ATOM 504 NE ARG A 32 -0.540 -11.145 -11.153 1.00 0.00 N ATOM 505 CZ ARG A 32 0.248 -12.157 -11.514 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.562 -12.126 -11.300 1.00 0.00 N ATOM 507 NH2 ARG A 32 -0.294 -13.224 -12.096 1.00 0.00 N ATOM 0 H ARG A 32 -0.509 -5.480 -8.374 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.534 -6.546 -10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.090 -7.136 -10.167 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.189 -7.903 -8.595 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.877 -9.528 -9.509 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.736 -8.773 -11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.692 -9.427 -11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.541 -10.193 -9.606 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.543 -11.213 -11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.986 -11.315 -10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.144 -12.913 -11.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.300 -13.259 -12.260 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.297 -14.006 -12.378 1.00 0.00 H new ATOM 521 N GLU A 33 -2.535 -7.634 -6.925 1.00 0.00 N ATOM 522 CA GLU A 33 -3.292 -8.426 -5.934 1.00 0.00 C ATOM 523 C GLU A 33 -4.775 -8.035 -5.882 1.00 0.00 C ATOM 524 O GLU A 33 -5.689 -8.844 -6.059 1.00 0.00 O ATOM 525 CB GLU A 33 -2.665 -8.265 -4.533 1.00 0.00 C ATOM 526 CG GLU A 33 -1.200 -8.751 -4.450 1.00 0.00 C ATOM 527 CD GLU A 33 -1.106 -10.231 -4.837 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.520 -11.077 -4.047 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.626 -10.520 -5.933 1.00 0.00 O ATOM 0 H GLU A 33 -1.718 -7.155 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.236 -9.468 -6.249 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.707 -7.215 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.264 -8.819 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.574 -8.154 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.819 -8.608 -3.439 1.00 0.00 H new ATOM 536 N CYS A 34 -5.006 -6.745 -5.630 1.00 0.00 N ATOM 537 CA CYS A 34 -6.370 -6.186 -5.640 1.00 0.00 C ATOM 538 C CYS A 34 -6.992 -6.201 -7.046 1.00 0.00 C ATOM 539 O CYS A 34 -8.115 -6.647 -7.279 1.00 0.00 O ATOM 540 CB CYS A 34 -6.343 -4.730 -5.123 1.00 0.00 C ATOM 541 SG CYS A 34 -7.977 -3.974 -5.301 1.00 0.00 S ATOM 0 H CYS A 34 -4.275 -6.067 -5.417 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.980 -6.813 -4.990 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.039 -4.713 -4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.604 -4.152 -5.679 1.00 0.00 H new ATOM 546 N GLY A 35 -6.216 -5.677 -8.001 1.00 0.00 N ATOM 547 CA GLY A 35 -6.696 -5.448 -9.377 1.00 0.00 C ATOM 548 C GLY A 35 -7.141 -6.732 -10.085 1.00 0.00 C ATOM 549 O GLY A 35 -8.306 -6.935 -10.430 1.00 0.00 O ATOM 0 H GLY A 35 -5.246 -5.400 -7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.531 -4.747 -9.351 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.903 -4.977 -9.958 1.00 0.00 H new ATOM 553 N LYS A 36 -6.162 -7.613 -10.305 1.00 0.00 N ATOM 554 CA LYS A 36 -6.409 -8.913 -10.958 1.00 0.00 C ATOM 555 C LYS A 36 -7.477 -9.718 -10.203 1.00 0.00 C ATOM 556 O LYS A 36 -8.523 -10.090 -10.734 1.00 0.00 O ATOM 557 CB LYS A 36 -5.091 -9.720 -11.034 1.00 0.00 C ATOM 558 CG LYS A 36 -5.243 -11.030 -11.841 1.00 0.00 C ATOM 559 CD LYS A 36 -3.948 -11.863 -11.978 1.00 0.00 C ATOM 560 CE LYS A 36 -3.515 -12.622 -10.703 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.117 -11.693 -9.636 1.00 0.00 N ATOM 0 H LYS A 36 -5.189 -7.455 -10.043 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.778 -8.725 -11.966 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.317 -9.103 -11.491 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.755 -9.956 -10.024 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.006 -11.646 -11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.608 -10.785 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.083 -12.585 -12.783 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.138 -11.199 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.336 -13.249 -10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.684 -13.287 -10.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.208 -11.997 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.018 -10.735 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.843 -11.688 -8.891 1.00 0.00 H new ATOM 575 N LEU A 37 -7.185 -9.991 -8.926 1.00 0.00 N ATOM 576 CA LEU A 37 -8.156 -10.680 -8.057 1.00 0.00 C ATOM 577 C LEU A 37 -9.064 -9.636 -7.368 1.00 0.00 C ATOM 578 O LEU A 37 -8.882 -9.340 -6.186 1.00 0.00 O ATOM 579 CB LEU A 37 -7.416 -11.608 -7.053 1.00 0.00 C ATOM 580 CG LEU A 37 -8.268 -12.815 -6.580 1.00 0.00 C ATOM 581 CD1 LEU A 37 -9.659 -12.415 -6.036 1.00 0.00 C ATOM 582 CD2 LEU A 37 -8.392 -13.880 -7.692 1.00 0.00 C ATOM 583 OXT LEU A 37 -9.941 -9.103 -8.045 1.00 0.00 O ATOM 0 H LEU A 37 -6.302 -9.752 -8.474 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.803 -11.326 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.503 -11.979 -7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.116 -11.023 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.729 -13.250 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.199 -13.309 -5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -9.538 -11.748 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.223 -11.905 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.994 -14.714 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.870 -13.439 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.400 -14.240 -7.963 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -5.854 -2.641 8.876 1.00 0.00 N ATOM 597 CA TRP B 1 -6.948 -1.730 9.235 1.00 0.00 C ATOM 598 C TRP B 1 -7.312 -1.930 10.711 1.00 0.00 C ATOM 599 O TRP B 1 -7.216 -1.044 11.559 1.00 0.00 O ATOM 600 CB TRP B 1 -8.176 -2.027 8.343 1.00 0.00 C ATOM 601 CG TRP B 1 -7.871 -1.943 6.836 1.00 0.00 C ATOM 602 CD1 TRP B 1 -8.729 -2.418 5.830 1.00 0.00 C ATOM 603 CD2 TRP B 1 -6.747 -1.424 6.150 1.00 0.00 C ATOM 604 NE1 TRP B 1 -8.194 -2.242 4.598 1.00 0.00 N ATOM 605 CE2 TRP B 1 -6.980 -1.642 4.764 1.00 0.00 C ATOM 606 CE3 TRP B 1 -5.569 -0.784 6.553 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -6.017 -1.245 3.834 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -4.620 -0.385 5.607 1.00 0.00 C ATOM 609 CH2 TRP B 1 -4.842 -0.620 4.251 1.00 0.00 C ATOM 0 H1 TRP B 1 -5.849 -2.789 7.847 1.00 0.00 H new ATOM 0 H2 TRP B 1 -4.947 -2.227 9.170 1.00 0.00 H new ATOM 0 H3 TRP B 1 -5.990 -3.553 9.357 1.00 0.00 H new ATOM 0 HA TRP B 1 -6.635 -0.698 9.080 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -8.552 -3.023 8.575 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -8.971 -1.322 8.585 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -9.694 -2.867 6.016 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -8.620 -2.509 3.710 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -5.392 -0.597 7.602 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -6.184 -1.424 2.782 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -3.713 0.106 5.927 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -4.104 -0.318 3.523 1.00 0.00 H new ATOM 622 N SER B 2 -7.744 -3.160 11.004 1.00 0.00 N ATOM 623 CA SER B 2 -7.991 -3.613 12.387 1.00 0.00 C ATOM 624 C SER B 2 -6.659 -3.789 13.140 1.00 0.00 C ATOM 625 O SER B 2 -5.574 -3.452 12.666 1.00 0.00 O ATOM 626 CB SER B 2 -8.752 -4.960 12.303 1.00 0.00 C ATOM 627 OG SER B 2 -9.229 -5.354 13.593 1.00 0.00 O ATOM 0 H SER B 2 -7.933 -3.871 10.297 1.00 0.00 H new ATOM 0 HA SER B 2 -8.580 -2.876 12.934 1.00 0.00 H new ATOM 0 HB2 SER B 2 -9.591 -4.867 11.613 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.094 -5.731 11.902 1.00 0.00 H new ATOM 0 HG SER B 2 -9.708 -6.206 13.519 1.00 0.00 H new ATOM 633 N THR B 3 -6.747 -4.316 14.364 1.00 0.00 N ATOM 634 CA THR B 3 -5.545 -4.623 15.163 1.00 0.00 C ATOM 635 C THR B 3 -4.602 -5.569 14.400 1.00 0.00 C ATOM 636 O THR B 3 -3.437 -5.280 14.131 1.00 0.00 O ATOM 637 CB THR B 3 -5.973 -5.265 16.507 1.00 0.00 C ATOM 638 OG1 THR B 3 -6.821 -4.354 17.216 1.00 0.00 O ATOM 639 CG2 THR B 3 -4.776 -5.634 17.409 1.00 0.00 C ATOM 0 H THR B 3 -7.629 -4.540 14.826 1.00 0.00 H new ATOM 0 HA THR B 3 -5.005 -3.696 15.355 1.00 0.00 H new ATOM 0 HB THR B 3 -6.497 -6.190 16.265 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.096 -4.757 18.066 1.00 0.00 H new ATOM 0 HG21 THR B 3 -5.141 -6.079 18.334 1.00 0.00 H new ATOM 0 HG22 THR B 3 -4.136 -6.348 16.891 1.00 0.00 H new ATOM 0 HG23 THR B 3 -4.204 -4.735 17.640 1.00 0.00 H new ATOM 647 N ILE B 4 -5.153 -6.729 14.039 1.00 0.00 N ATOM 648 CA ILE B 4 -4.399 -7.761 13.301 1.00 0.00 C ATOM 649 C ILE B 4 -4.148 -7.353 11.841 1.00 0.00 C ATOM 650 O ILE B 4 -3.039 -7.419 11.310 1.00 0.00 O ATOM 651 CB ILE B 4 -5.179 -9.101 13.357 1.00 0.00 C ATOM 652 CG1 ILE B 4 -5.484 -9.547 14.811 1.00 0.00 C ATOM 653 CG2 ILE B 4 -4.461 -10.227 12.575 1.00 0.00 C ATOM 654 CD1 ILE B 4 -4.228 -9.721 15.690 1.00 0.00 C ATOM 0 H ILE B 4 -6.119 -6.984 14.243 1.00 0.00 H new ATOM 0 HA ILE B 4 -3.425 -7.877 13.775 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.134 -8.913 12.866 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -6.141 -8.812 15.275 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -6.030 -10.490 14.784 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -5.044 -11.146 12.642 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -4.361 -9.937 11.529 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -3.472 -10.393 13.002 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -4.525 -10.034 16.691 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -3.579 -10.478 15.251 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -3.692 -8.774 15.750 1.00 0.00 H new ATOM 666 N VAL B 5 -5.234 -6.927 11.187 1.00 0.00 N ATOM 667 CA VAL B 5 -5.207 -6.576 9.752 1.00 0.00 C ATOM 668 C VAL B 5 -4.138 -5.526 9.421 1.00 0.00 C ATOM 669 O VAL B 5 -3.395 -5.631 8.447 1.00 0.00 O ATOM 670 CB VAL B 5 -6.606 -6.073 9.307 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.640 -5.663 7.817 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.701 -7.129 9.584 1.00 0.00 C ATOM 0 H VAL B 5 -6.148 -6.815 11.625 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.945 -7.480 9.202 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.811 -5.184 9.904 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.641 -5.319 7.557 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.924 -4.860 7.644 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.379 -6.521 7.197 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.668 -6.744 9.260 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.472 -8.043 9.036 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.736 -7.346 10.652 1.00 0.00 H new ATOM 682 N LYS B 6 -4.075 -4.485 10.257 1.00 0.00 N ATOM 683 CA LYS B 6 -3.102 -3.391 10.066 1.00 0.00 C ATOM 684 C LYS B 6 -1.652 -3.896 10.048 1.00 0.00 C ATOM 685 O LYS B 6 -0.822 -3.478 9.245 1.00 0.00 O ATOM 686 CB LYS B 6 -3.277 -2.311 11.153 1.00 0.00 C ATOM 687 CG LYS B 6 -2.333 -1.107 10.943 1.00 0.00 C ATOM 688 CD LYS B 6 -2.561 0.037 11.952 1.00 0.00 C ATOM 689 CE LYS B 6 -3.975 0.656 11.882 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.236 1.165 10.527 1.00 0.00 N ATOM 0 H LYS B 6 -4.680 -4.372 11.070 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.306 -2.952 9.089 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.310 -1.964 11.153 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.088 -2.751 12.132 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.300 -1.448 11.019 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.468 -0.722 9.932 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -2.389 -0.340 12.960 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.823 0.819 11.774 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -4.722 -0.092 12.148 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -4.063 1.466 12.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -5.129 1.698 10.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.458 1.791 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.306 0.367 9.864 1.00 0.00 H new ATOM 704 N LEU B 7 -1.352 -4.804 10.979 1.00 0.00 N ATOM 705 CA LEU B 7 -0.019 -5.438 11.048 1.00 0.00 C ATOM 706 C LEU B 7 0.346 -6.172 9.749 1.00 0.00 C ATOM 707 O LEU B 7 1.480 -6.157 9.270 1.00 0.00 O ATOM 708 CB LEU B 7 0.025 -6.433 12.229 1.00 0.00 C ATOM 709 CG LEU B 7 -0.207 -5.768 13.606 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.341 -6.830 14.717 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.903 -4.752 13.952 1.00 0.00 C ATOM 0 H LEU B 7 -2.005 -5.120 11.695 1.00 0.00 H new ATOM 0 HA LEU B 7 0.711 -4.642 11.195 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.732 -7.202 12.074 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.993 -6.935 12.235 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.145 -5.216 13.541 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.503 -6.336 15.675 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.186 -7.482 14.497 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.572 -7.423 14.765 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.700 -4.309 14.927 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.867 -5.261 13.978 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.927 -3.968 13.195 1.00 0.00 H new ATOM 723 N THR B 8 -0.658 -6.848 9.183 1.00 0.00 N ATOM 724 CA THR B 8 -0.486 -7.607 7.926 1.00 0.00 C ATOM 725 C THR B 8 -0.092 -6.695 6.751 1.00 0.00 C ATOM 726 O THR B 8 0.878 -6.913 6.025 1.00 0.00 O ATOM 727 CB THR B 8 -1.806 -8.354 7.601 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.169 -9.181 8.711 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.711 -9.231 6.336 1.00 0.00 C ATOM 0 H THR B 8 -1.601 -6.889 9.570 1.00 0.00 H new ATOM 0 HA THR B 8 0.326 -8.320 8.066 1.00 0.00 H new ATOM 0 HB THR B 8 -2.562 -7.591 7.412 1.00 0.00 H new ATOM 0 HG1 THR B 8 -3.004 -9.653 8.508 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.667 -9.726 6.164 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.466 -8.606 5.477 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.933 -9.982 6.471 1.00 0.00 H new ATOM 737 N ILE B 9 -0.897 -5.644 6.570 1.00 0.00 N ATOM 738 CA ILE B 9 -0.719 -4.690 5.458 1.00 0.00 C ATOM 739 C ILE B 9 0.455 -3.709 5.668 1.00 0.00 C ATOM 740 O ILE B 9 1.019 -3.150 4.729 1.00 0.00 O ATOM 741 CB ILE B 9 -2.053 -3.929 5.226 1.00 0.00 C ATOM 742 CG1 ILE B 9 -2.029 -3.039 3.961 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.462 -3.085 6.452 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.728 -3.806 2.657 1.00 0.00 C ATOM 0 H ILE B 9 -1.685 -5.427 7.181 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.456 -5.265 4.570 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.802 -4.706 5.071 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.993 -2.540 3.862 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.279 -2.259 4.093 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.400 -2.571 6.243 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.590 -3.737 7.316 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.685 -2.350 6.663 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.729 -3.111 1.817 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.750 -4.282 2.732 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.491 -4.568 2.498 1.00 0.00 H new ATOM 756 N CYS B 10 0.816 -3.503 6.941 1.00 0.00 N ATOM 757 CA CYS B 10 1.885 -2.557 7.339 1.00 0.00 C ATOM 758 C CYS B 10 3.170 -2.685 6.500 1.00 0.00 C ATOM 759 O CYS B 10 3.552 -1.737 5.816 1.00 0.00 O ATOM 760 CB CYS B 10 2.226 -2.756 8.836 1.00 0.00 C ATOM 761 SG CYS B 10 1.518 -1.519 9.955 1.00 0.00 S ATOM 0 H CYS B 10 0.380 -3.983 7.729 1.00 0.00 H new ATOM 0 HA CYS B 10 1.493 -1.556 7.158 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.880 -3.743 9.144 1.00 0.00 H new ATOM 0 HB3 CYS B 10 3.310 -2.749 8.950 1.00 0.00 H new ATOM 766 N PRO B 11 3.858 -3.838 6.497 1.00 0.00 N ATOM 767 CA PRO B 11 5.133 -4.025 5.776 1.00 0.00 C ATOM 768 C PRO B 11 5.008 -3.839 4.258 1.00 0.00 C ATOM 769 O PRO B 11 5.872 -3.288 3.580 1.00 0.00 O ATOM 770 CB PRO B 11 5.548 -5.466 6.128 1.00 0.00 C ATOM 771 CG PRO B 11 4.224 -6.158 6.410 1.00 0.00 C ATOM 772 CD PRO B 11 3.437 -5.081 7.163 1.00 0.00 C ATOM 0 HA PRO B 11 5.868 -3.277 6.072 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.082 -5.942 5.306 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.208 -5.493 6.995 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.721 -6.460 5.491 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.357 -7.058 7.011 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.361 -5.237 7.083 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.680 -5.072 8.226 1.00 0.00 H new ATOM 780 N THR B 12 3.887 -4.334 3.725 1.00 0.00 N ATOM 781 CA THR B 12 3.587 -4.239 2.285 1.00 0.00 C ATOM 782 C THR B 12 3.601 -2.782 1.791 1.00 0.00 C ATOM 783 O THR B 12 4.328 -2.390 0.877 1.00 0.00 O ATOM 784 CB THR B 12 2.204 -4.891 2.036 1.00 0.00 C ATOM 785 OG1 THR B 12 2.262 -6.268 2.421 1.00 0.00 O ATOM 786 CG2 THR B 12 1.729 -4.804 0.572 1.00 0.00 C ATOM 0 H THR B 12 3.166 -4.808 4.269 1.00 0.00 H new ATOM 0 HA THR B 12 4.360 -4.763 1.723 1.00 0.00 H new ATOM 0 HB THR B 12 1.484 -4.333 2.635 1.00 0.00 H new ATOM 0 HG1 THR B 12 1.905 -6.825 1.698 1.00 0.00 H new ATOM 0 HG21 THR B 12 0.754 -5.282 0.477 1.00 0.00 H new ATOM 0 HG22 THR B 12 1.651 -3.758 0.276 1.00 0.00 H new ATOM 0 HG23 THR B 12 2.446 -5.311 -0.074 1.00 0.00 H new ATOM 794 N LEU B 13 2.765 -1.967 2.439 1.00 0.00 N ATOM 795 CA LEU B 13 2.646 -0.537 2.095 1.00 0.00 C ATOM 796 C LEU B 13 3.916 0.267 2.401 1.00 0.00 C ATOM 797 O LEU B 13 4.272 1.209 1.700 1.00 0.00 O ATOM 798 CB LEU B 13 1.448 0.094 2.835 1.00 0.00 C ATOM 799 CG LEU B 13 0.083 -0.532 2.476 1.00 0.00 C ATOM 800 CD1 LEU B 13 -1.041 0.138 3.294 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.221 -0.454 0.963 1.00 0.00 C ATOM 0 H LEU B 13 2.160 -2.266 3.203 1.00 0.00 H new ATOM 0 HA LEU B 13 2.490 -0.494 1.017 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.608 -0.001 3.909 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.417 1.160 2.610 1.00 0.00 H new ATOM 0 HG LEU B 13 0.132 -1.590 2.733 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.999 -0.312 3.032 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.852 -0.005 4.358 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.068 1.204 3.070 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -1.192 -0.908 0.763 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.236 0.589 0.648 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.550 -0.989 0.409 1.00 0.00 H new ATOM 813 N LYS B 14 4.589 -0.097 3.497 1.00 0.00 N ATOM 814 CA LYS B 14 5.871 0.533 3.879 1.00 0.00 C ATOM 815 C LYS B 14 6.918 0.440 2.759 1.00 0.00 C ATOM 816 O LYS B 14 7.547 1.413 2.344 1.00 0.00 O ATOM 817 CB LYS B 14 6.422 -0.155 5.150 1.00 0.00 C ATOM 818 CG LYS B 14 5.731 0.298 6.455 1.00 0.00 C ATOM 819 CD LYS B 14 6.158 1.702 6.936 1.00 0.00 C ATOM 820 CE LYS B 14 7.669 1.784 7.248 1.00 0.00 C ATOM 821 NZ LYS B 14 7.974 3.059 7.909 1.00 0.00 N ATOM 0 H LYS B 14 4.273 -0.824 4.139 1.00 0.00 H new ATOM 0 HA LYS B 14 5.677 1.589 4.067 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.308 -1.234 5.046 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.490 0.047 5.227 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.651 0.289 6.305 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.949 -0.426 7.240 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.907 2.437 6.171 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.591 1.965 7.829 1.00 0.00 H new ATOM 0 HE2 LYS B 14 7.963 0.953 7.889 1.00 0.00 H new ATOM 0 HE3 LYS B 14 8.245 1.695 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 8.547 3.651 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.087 3.553 8.137 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 8.504 2.878 8.785 1.00 0.00 H new ATOM 835 N SER B 15 7.095 -0.789 2.271 1.00 0.00 N ATOM 836 CA SER B 15 8.028 -1.076 1.164 1.00 0.00 C ATOM 837 C SER B 15 7.663 -0.308 -0.115 1.00 0.00 C ATOM 838 O SER B 15 8.505 0.149 -0.888 1.00 0.00 O ATOM 839 CB SER B 15 8.038 -2.595 0.895 1.00 0.00 C ATOM 840 OG SER B 15 8.506 -3.287 2.055 1.00 0.00 O ATOM 0 H SER B 15 6.604 -1.611 2.623 1.00 0.00 H new ATOM 0 HA SER B 15 9.022 -0.742 1.460 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.035 -2.935 0.637 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.680 -2.819 0.043 1.00 0.00 H new ATOM 0 HG SER B 15 7.770 -3.389 2.694 1.00 0.00 H new ATOM 846 N MET B 16 6.352 -0.191 -0.347 1.00 0.00 N ATOM 847 CA MET B 16 5.824 0.591 -1.482 1.00 0.00 C ATOM 848 C MET B 16 6.165 2.085 -1.340 1.00 0.00 C ATOM 849 O MET B 16 6.604 2.767 -2.266 1.00 0.00 O ATOM 850 CB MET B 16 4.293 0.387 -1.563 1.00 0.00 C ATOM 851 CG MET B 16 3.672 1.023 -2.822 1.00 0.00 C ATOM 852 SD MET B 16 1.900 0.686 -2.997 1.00 0.00 S ATOM 853 CE MET B 16 1.239 1.635 -1.606 1.00 0.00 C ATOM 0 H MET B 16 5.633 -0.625 0.232 1.00 0.00 H new ATOM 0 HA MET B 16 6.291 0.239 -2.402 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.072 -0.680 -1.554 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.826 0.817 -0.677 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.828 2.101 -2.790 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.194 0.651 -3.704 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.156 1.515 -1.566 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.679 1.273 -0.677 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.483 2.689 -1.736 1.00 0.00 H new ATOM 863 N ALA B 17 5.971 2.575 -0.111 1.00 0.00 N ATOM 864 CA ALA B 17 6.163 3.995 0.248 1.00 0.00 C ATOM 865 C ALA B 17 7.578 4.504 -0.057 1.00 0.00 C ATOM 866 O ALA B 17 7.812 5.676 -0.351 1.00 0.00 O ATOM 867 CB ALA B 17 5.870 4.180 1.752 1.00 0.00 C ATOM 0 H ALA B 17 5.673 1.996 0.674 1.00 0.00 H new ATOM 0 HA ALA B 17 5.473 4.579 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.010 5.226 2.024 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.842 3.885 1.961 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.551 3.560 2.334 1.00 0.00 H new ATOM 873 N LYS B 18 8.539 3.576 0.034 1.00 0.00 N ATOM 874 CA LYS B 18 9.963 3.859 -0.242 1.00 0.00 C ATOM 875 C LYS B 18 10.172 4.684 -1.523 1.00 0.00 C ATOM 876 O LYS B 18 11.029 5.562 -1.614 1.00 0.00 O ATOM 877 CB LYS B 18 10.739 2.528 -0.370 1.00 0.00 C ATOM 878 CG LYS B 18 10.600 1.606 0.863 1.00 0.00 C ATOM 879 CD LYS B 18 11.129 2.227 2.173 1.00 0.00 C ATOM 880 CE LYS B 18 10.900 1.314 3.396 1.00 0.00 C ATOM 881 NZ LYS B 18 11.585 0.028 3.202 1.00 0.00 N ATOM 0 H LYS B 18 8.357 2.608 0.300 1.00 0.00 H new ATOM 0 HA LYS B 18 10.336 4.451 0.594 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.385 1.995 -1.253 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.794 2.747 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.549 1.347 0.994 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.136 0.676 0.671 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.195 2.430 2.070 1.00 0.00 H new ATOM 0 HD3 LYS B 18 10.637 3.185 2.342 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.272 1.801 4.298 1.00 0.00 H new ATOM 0 HE3 LYS B 18 9.832 1.148 3.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.599 -0.497 4.100 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.080 -0.529 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.561 0.199 2.886 1.00 0.00 H new ATOM 895 N LYS B 19 9.355 4.377 -2.538 1.00 0.00 N ATOM 896 CA LYS B 19 9.388 5.125 -3.807 1.00 0.00 C ATOM 897 C LYS B 19 7.969 5.336 -4.364 1.00 0.00 C ATOM 898 O LYS B 19 7.566 4.846 -5.420 1.00 0.00 O ATOM 899 CB LYS B 19 10.276 4.362 -4.820 1.00 0.00 C ATOM 900 CG LYS B 19 10.541 5.170 -6.113 1.00 0.00 C ATOM 901 CD LYS B 19 11.486 4.486 -7.130 1.00 0.00 C ATOM 902 CE LYS B 19 10.964 3.155 -7.718 1.00 0.00 C ATOM 903 NZ LYS B 19 11.055 2.077 -6.725 1.00 0.00 N ATOM 0 H LYS B 19 8.668 3.624 -2.510 1.00 0.00 H new ATOM 0 HA LYS B 19 9.812 6.113 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.228 4.116 -4.349 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.796 3.418 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.587 5.367 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.965 6.136 -5.839 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.674 5.179 -7.950 1.00 0.00 H new ATOM 0 HD3 LYS B 19 12.444 4.300 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.929 3.274 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.543 2.891 -8.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.269 1.180 -7.205 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 11.811 2.295 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.149 1.992 -6.221 1.00 0.00 H new ATOM 917 N CYS B 20 7.174 6.077 -3.584 1.00 0.00 N ATOM 918 CA CYS B 20 5.871 6.573 -4.074 1.00 0.00 C ATOM 919 C CYS B 20 5.945 8.034 -4.525 1.00 0.00 C ATOM 920 O CYS B 20 6.876 8.792 -4.247 1.00 0.00 O ATOM 921 CB CYS B 20 4.772 6.409 -3.008 1.00 0.00 C ATOM 922 SG CYS B 20 4.371 4.677 -2.679 1.00 0.00 S ATOM 0 H CYS B 20 7.399 6.346 -2.626 1.00 0.00 H new ATOM 0 HA CYS B 20 5.614 5.964 -4.941 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.096 6.885 -2.082 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.873 6.930 -3.336 1.00 0.00 H new ATOM 927 N GLU B 21 4.892 8.431 -5.248 1.00 0.00 N ATOM 928 CA GLU B 21 4.831 9.777 -5.846 1.00 0.00 C ATOM 929 C GLU B 21 4.275 10.812 -4.856 1.00 0.00 C ATOM 930 O GLU B 21 3.585 10.511 -3.883 1.00 0.00 O ATOM 931 CB GLU B 21 3.919 9.733 -7.098 1.00 0.00 C ATOM 932 CG GLU B 21 4.167 8.547 -8.066 1.00 0.00 C ATOM 933 CD GLU B 21 5.642 8.438 -8.487 1.00 0.00 C ATOM 934 OE1 GLU B 21 6.434 7.876 -7.731 1.00 0.00 O ATOM 935 OE2 GLU B 21 5.981 8.918 -9.566 1.00 0.00 O ATOM 0 H GLU B 21 4.076 7.849 -5.434 1.00 0.00 H new ATOM 0 HA GLU B 21 5.844 10.075 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.881 9.698 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.047 10.663 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.859 7.618 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.546 8.669 -8.953 1.00 0.00 H new ATOM 942 N GLY B 22 4.586 12.080 -5.150 1.00 0.00 N ATOM 943 CA GLY B 22 4.108 13.234 -4.360 1.00 0.00 C ATOM 944 C GLY B 22 4.494 13.156 -2.877 1.00 0.00 C ATOM 945 O GLY B 22 5.621 13.423 -2.459 1.00 0.00 O ATOM 0 H GLY B 22 5.175 12.341 -5.941 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.515 14.151 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.023 13.298 -4.443 1.00 0.00 H new ATOM 949 N SER B 23 3.504 12.759 -2.072 1.00 0.00 N ATOM 950 CA SER B 23 3.685 12.559 -0.619 1.00 0.00 C ATOM 951 C SER B 23 2.743 11.453 -0.112 1.00 0.00 C ATOM 952 O SER B 23 2.119 11.493 0.951 1.00 0.00 O ATOM 953 CB SER B 23 3.399 13.882 0.132 1.00 0.00 C ATOM 954 OG SER B 23 4.318 14.895 -0.286 1.00 0.00 O ATOM 0 H SER B 23 2.558 12.566 -2.400 1.00 0.00 H new ATOM 0 HA SER B 23 4.715 12.255 -0.430 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.376 14.206 -0.063 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.484 13.724 1.207 1.00 0.00 H new ATOM 0 HG SER B 23 4.127 15.728 0.194 1.00 0.00 H new ATOM 960 N ILE B 24 2.673 10.409 -0.938 1.00 0.00 N ATOM 961 CA ILE B 24 1.873 9.206 -0.657 1.00 0.00 C ATOM 962 C ILE B 24 2.498 8.355 0.454 1.00 0.00 C ATOM 963 O ILE B 24 1.829 7.776 1.310 1.00 0.00 O ATOM 964 CB ILE B 24 1.727 8.414 -1.979 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.783 9.148 -2.964 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.339 6.934 -1.790 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.670 9.304 -2.465 1.00 0.00 C ATOM 0 H ILE B 24 3.171 10.369 -1.827 1.00 0.00 H new ATOM 0 HA ILE B 24 0.888 9.493 -0.289 1.00 0.00 H new ATOM 0 HB ILE B 24 2.723 8.381 -2.422 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.191 10.138 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.773 8.606 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.257 6.452 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.104 6.430 -1.199 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.381 6.872 -1.273 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.259 9.829 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.102 8.319 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.677 9.875 -1.536 1.00 0.00 H new ATOM 979 N ALA B 25 3.830 8.272 0.400 1.00 0.00 N ATOM 980 CA ALA B 25 4.622 7.593 1.442 1.00 0.00 C ATOM 981 C ALA B 25 4.223 8.042 2.856 1.00 0.00 C ATOM 982 O ALA B 25 4.095 7.256 3.793 1.00 0.00 O ATOM 983 CB ALA B 25 6.112 7.914 1.212 1.00 0.00 C ATOM 0 H ALA B 25 4.389 8.667 -0.356 1.00 0.00 H new ATOM 0 HA ALA B 25 4.433 6.522 1.370 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.713 7.419 1.975 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.413 7.559 0.226 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.266 8.991 1.272 1.00 0.00 H new ATOM 989 N THR B 26 4.026 9.358 2.987 1.00 0.00 N ATOM 990 CA THR B 26 3.608 9.979 4.260 1.00 0.00 C ATOM 991 C THR B 26 2.254 9.442 4.750 1.00 0.00 C ATOM 992 O THR B 26 2.065 9.077 5.909 1.00 0.00 O ATOM 993 CB THR B 26 3.522 11.514 4.071 1.00 0.00 C ATOM 994 OG1 THR B 26 4.779 12.005 3.594 1.00 0.00 O ATOM 995 CG2 THR B 26 3.164 12.260 5.374 1.00 0.00 C ATOM 0 H THR B 26 4.149 10.023 2.223 1.00 0.00 H new ATOM 0 HA THR B 26 4.351 9.728 5.017 1.00 0.00 H new ATOM 0 HB THR B 26 2.725 11.701 3.352 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.726 12.976 3.472 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.118 13.331 5.179 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.195 11.915 5.736 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.925 12.061 6.128 1.00 0.00 H new ATOM 1003 N MET B 27 1.285 9.419 3.827 1.00 0.00 N ATOM 1004 CA MET B 27 -0.079 8.937 4.128 1.00 0.00 C ATOM 1005 C MET B 27 -0.078 7.502 4.675 1.00 0.00 C ATOM 1006 O MET B 27 -0.696 7.165 5.686 1.00 0.00 O ATOM 1007 CB MET B 27 -0.946 8.995 2.851 1.00 0.00 C ATOM 1008 CG MET B 27 -1.097 10.418 2.277 1.00 0.00 C ATOM 1009 SD MET B 27 -1.823 11.585 3.459 1.00 0.00 S ATOM 1010 CE MET B 27 -3.440 10.817 3.742 1.00 0.00 C ATOM 0 H MET B 27 1.415 9.728 2.864 1.00 0.00 H new ATOM 0 HA MET B 27 -0.493 9.588 4.898 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.504 8.350 2.091 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.935 8.594 3.074 1.00 0.00 H new ATOM 0 HG2 MET B 27 -0.118 10.785 1.967 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.720 10.379 1.384 1.00 0.00 H new ATOM 0 HE1 MET B 27 -4.206 11.591 3.798 1.00 0.00 H new ATOM 0 HE2 MET B 27 -3.669 10.138 2.921 1.00 0.00 H new ATOM 0 HE3 MET B 27 -3.419 10.259 4.678 1.00 0.00 H new ATOM 1020 N ILE B 28 0.643 6.641 3.953 1.00 0.00 N ATOM 1021 CA ILE B 28 0.870 5.245 4.372 1.00 0.00 C ATOM 1022 C ILE B 28 1.463 5.168 5.787 1.00 0.00 C ATOM 1023 O ILE B 28 1.053 4.390 6.648 1.00 0.00 O ATOM 1024 CB ILE B 28 1.838 4.582 3.356 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.202 4.493 1.946 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.339 3.206 3.853 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.195 4.038 0.856 1.00 0.00 C ATOM 0 H ILE B 28 1.086 6.884 3.067 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.086 4.721 4.392 1.00 0.00 H new ATOM 0 HB ILE B 28 2.715 5.224 3.275 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.363 3.798 1.977 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.798 5.468 1.675 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.014 2.776 3.113 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.868 3.331 4.798 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.488 2.540 3.999 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.685 3.997 -0.106 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.022 4.746 0.799 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.580 3.049 1.105 1.00 0.00 H new ATOM 1039 N LYS B 29 2.468 6.020 6.004 1.00 0.00 N ATOM 1040 CA LYS B 29 3.215 6.065 7.274 1.00 0.00 C ATOM 1041 C LYS B 29 2.285 6.310 8.471 1.00 0.00 C ATOM 1042 O LYS B 29 2.407 5.729 9.548 1.00 0.00 O ATOM 1043 CB LYS B 29 4.262 7.203 7.193 1.00 0.00 C ATOM 1044 CG LYS B 29 5.563 6.898 7.964 1.00 0.00 C ATOM 1045 CD LYS B 29 6.347 5.698 7.380 1.00 0.00 C ATOM 1046 CE LYS B 29 6.711 5.876 5.889 1.00 0.00 C ATOM 1047 NZ LYS B 29 7.440 4.694 5.406 1.00 0.00 N ATOM 0 H LYS B 29 2.789 6.697 5.312 1.00 0.00 H new ATOM 0 HA LYS B 29 3.702 5.101 7.424 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.504 7.389 6.147 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.822 8.119 7.586 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.201 7.782 7.952 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.321 6.693 9.007 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.261 5.555 7.956 1.00 0.00 H new ATOM 0 HD3 LYS B 29 5.752 4.792 7.496 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.806 6.021 5.300 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.322 6.769 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.416 4.672 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.428 4.740 5.728 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 6.993 3.833 5.781 1.00 0.00 H new ATOM 1061 N LYS B 30 1.332 7.220 8.247 1.00 0.00 N ATOM 1062 CA LYS B 30 0.314 7.575 9.256 1.00 0.00 C ATOM 1063 C LYS B 30 -0.568 6.367 9.611 1.00 0.00 C ATOM 1064 O LYS B 30 -0.766 6.007 10.773 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.529 8.742 8.686 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.559 9.373 9.657 1.00 0.00 C ATOM 1067 CD LYS B 30 -2.809 8.514 9.961 1.00 0.00 C ATOM 1068 CE LYS B 30 -3.595 8.089 8.702 1.00 0.00 C ATOM 1069 NZ LYS B 30 -4.039 9.279 7.959 1.00 0.00 N ATOM 0 H LYS B 30 1.240 7.731 7.369 1.00 0.00 H new ATOM 0 HA LYS B 30 0.798 7.883 10.183 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.151 9.525 8.350 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.062 8.383 7.806 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.055 9.594 10.598 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.888 10.325 9.240 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -2.501 7.621 10.504 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -3.472 9.075 10.620 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.967 7.466 8.065 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -4.457 7.486 8.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -4.652 8.988 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -4.569 9.908 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -3.210 9.784 7.585 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.096 5.727 8.561 1.00 0.00 N ATOM 1084 CA LYS B 31 -1.996 4.565 8.712 1.00 0.00 C ATOM 1085 C LYS B 31 -1.373 3.443 9.550 1.00 0.00 C ATOM 1086 O LYS B 31 -1.853 3.071 10.621 1.00 0.00 O ATOM 1087 CB LYS B 31 -2.364 4.028 7.311 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.261 4.992 6.506 1.00 0.00 C ATOM 1089 CD LYS B 31 -4.690 5.129 7.075 1.00 0.00 C ATOM 1090 CE LYS B 31 -5.476 3.801 7.048 1.00 0.00 C ATOM 1091 NZ LYS B 31 -6.832 4.021 7.574 1.00 0.00 N ATOM 0 H LYS B 31 -0.918 5.991 7.592 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.887 4.901 9.242 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -1.449 3.839 6.750 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.875 3.071 7.419 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -2.793 5.976 6.482 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -3.322 4.643 5.475 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.634 5.492 8.101 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.234 5.879 6.501 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -5.528 3.418 6.029 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.961 3.049 7.646 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -7.361 3.126 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -6.773 4.368 8.553 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.322 4.725 6.986 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.267 2.898 9.036 1.00 0.00 N ATOM 1106 CA CYS B 32 0.520 1.902 9.789 1.00 0.00 C ATOM 1107 C CYS B 32 1.133 2.545 11.045 1.00 0.00 C ATOM 1108 O CYS B 32 1.206 3.764 11.210 1.00 0.00 O ATOM 1109 CB CYS B 32 1.635 1.351 8.867 1.00 0.00 C ATOM 1110 SG CYS B 32 2.674 0.116 9.689 1.00 0.00 S ATOM 0 H CYS B 32 0.105 3.122 8.113 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.128 1.086 10.109 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.182 0.907 7.981 1.00 0.00 H new ATOM 0 HB3 CYS B 32 2.260 2.176 8.526 1.00 0.00 H new ATOM 1115 N ASP B 33 1.601 1.686 11.952 1.00 0.00 N ATOM 1116 CA ASP B 33 2.156 2.143 13.240 1.00 0.00 C ATOM 1117 C ASP B 33 3.397 1.326 13.617 1.00 0.00 C ATOM 1118 O ASP B 33 3.437 0.503 14.536 1.00 0.00 O ATOM 1119 CB ASP B 33 1.068 2.045 14.339 1.00 0.00 C ATOM 1120 CG ASP B 33 -0.129 2.943 13.990 1.00 0.00 C ATOM 1121 OD1 ASP B 33 0.024 4.165 13.995 1.00 0.00 O ATOM 1122 OD2 ASP B 33 -1.202 2.412 13.707 1.00 0.00 O ATOM 0 H ASP B 33 1.610 0.674 11.826 1.00 0.00 H new ATOM 0 HA ASP B 33 2.465 3.184 13.146 1.00 0.00 H new ATOM 0 HB2 ASP B 33 0.738 1.011 14.441 1.00 0.00 H new ATOM 0 HB3 ASP B 33 1.486 2.343 15.301 1.00 0.00 H new ATOM 1127 N LYS B 34 4.451 1.576 12.837 1.00 0.00 N ATOM 1128 CA LYS B 34 5.754 0.901 13.029 1.00 0.00 C ATOM 1129 C LYS B 34 6.465 1.290 14.342 1.00 0.00 C ATOM 1130 O LYS B 34 6.082 2.274 14.975 1.00 0.00 O ATOM 1131 CB LYS B 34 6.668 1.261 11.834 1.00 0.00 C ATOM 1132 CG LYS B 34 6.073 0.877 10.460 1.00 0.00 C ATOM 1133 CD LYS B 34 5.779 -0.631 10.301 1.00 0.00 C ATOM 1134 CE LYS B 34 7.037 -1.521 10.401 1.00 0.00 C ATOM 1135 NZ LYS B 34 7.979 -1.172 9.327 1.00 0.00 N ATOM 1136 OXT LYS B 34 7.417 0.602 14.713 1.00 0.00 O ATOM 0 H LYS B 34 4.436 2.240 12.063 1.00 0.00 H new ATOM 0 HA LYS B 34 5.559 -0.170 13.087 1.00 0.00 H new ATOM 0 HB2 LYS B 34 6.865 2.333 11.848 1.00 0.00 H new ATOM 0 HB3 LYS B 34 7.628 0.759 11.958 1.00 0.00 H new ATOM 0 HG2 LYS B 34 5.149 1.435 10.307 1.00 0.00 H new ATOM 0 HG3 LYS B 34 6.765 1.186 9.677 1.00 0.00 H new ATOM 0 HD2 LYS B 34 5.067 -0.936 11.067 1.00 0.00 H new ATOM 0 HD3 LYS B 34 5.301 -0.799 9.336 1.00 0.00 H new ATOM 0 HE2 LYS B 34 7.513 -1.387 11.373 1.00 0.00 H new ATOM 0 HE3 LYS B 34 6.758 -2.572 10.325 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 8.713 -1.905 9.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 7.467 -1.108 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 8.423 -0.256 9.539 1.00 0.00 H new TER 1150 LYS B 34