USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=24 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 29 LYS NZ :NH3+ 171:sc= -0.114 (180deg=-0.186) USER MOD Set 1.2: B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: B 34 LYS NZ :NH3+ 163:sc= -0.0943 (180deg=0) 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 77:sc= 0.352 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= -1.93! (180deg=-2.68) USER MOD Single : A 21 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.128) USER MOD Single : A 23 SER OG : rot 86:sc= 0.0758 USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.276 USER MOD Single : A 29 TYR OH : rot -65:sc= 0.122 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.131) USER MOD Single : A 36 LYS NZ :NH3+ -170:sc=-0.000372 (180deg=-0.137) USER MOD Single : B 1 TRP N :NH3+ 137:sc= -2.47! (180deg=-4.56!) USER MOD Single : B 2 SER OG : rot 180:sc= -0.118 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -135:sc= -1.25 (180deg=-2.7!) USER MOD Single : B 8 THR OG1 : rot 75:sc= 0.0399 USER MOD Single : B 12 THR OG1 : rot -160:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 159:sc= -0.435 (180deg=-1.61) USER MOD Single : B 15 SER OG : rot 78:sc= 0.0526 USER MOD Single : B 16 MET CE :methyl 175:sc= -1.22 (180deg=-1.3) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 140:sc= -0.9 (180deg=-3.2!) 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 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.511) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.211 -17.641 1.391 1.00 0.00 N ATOM 2 CA GLY A 1 1.894 -17.119 1.784 1.00 0.00 C ATOM 3 C GLY A 1 2.029 -15.922 2.729 1.00 0.00 C ATOM 4 O GLY A 1 1.606 -15.927 3.886 1.00 0.00 O ATOM 0 H1 GLY A 1 3.086 -18.451 0.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.749 -16.895 0.905 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.730 -17.946 2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.338 -16.822 0.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.319 -17.906 2.271 1.00 0.00 H new ATOM 10 N VAL A 2 2.649 -14.864 2.197 1.00 0.00 N ATOM 11 CA VAL A 2 2.856 -13.615 2.956 1.00 0.00 C ATOM 12 C VAL A 2 1.521 -12.962 3.356 1.00 0.00 C ATOM 13 O VAL A 2 1.288 -12.561 4.497 1.00 0.00 O ATOM 14 CB VAL A 2 3.747 -12.641 2.138 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.127 -12.205 0.789 1.00 0.00 C ATOM 16 CG2 VAL A 2 4.174 -11.418 2.978 1.00 0.00 C ATOM 0 H VAL A 2 3.018 -14.842 1.246 1.00 0.00 H new ATOM 0 HA VAL A 2 3.372 -13.859 3.885 1.00 0.00 H new ATOM 0 HB VAL A 2 4.640 -13.212 1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.809 -11.526 0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.955 -13.083 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.179 -11.698 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.796 -10.760 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.288 -10.877 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.740 -11.753 3.847 1.00 0.00 H new ATOM 26 N ILE A 3 0.627 -12.871 2.366 1.00 0.00 N ATOM 27 CA ILE A 3 -0.714 -12.290 2.563 1.00 0.00 C ATOM 28 C ILE A 3 -1.726 -13.051 1.684 1.00 0.00 C ATOM 29 O ILE A 3 -1.503 -13.256 0.490 1.00 0.00 O ATOM 30 CB ILE A 3 -0.695 -10.787 2.166 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.336 -9.993 3.011 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.105 -10.162 2.246 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.403 -8.483 2.699 1.00 0.00 C ATOM 0 H ILE A 3 0.805 -13.193 1.415 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.003 -12.376 3.610 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.376 -10.725 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.095 -10.121 4.066 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.324 -10.426 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.054 -9.111 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.776 -10.689 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.482 -10.244 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.150 -8.012 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.677 -8.339 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.571 -8.030 2.885 1.00 0.00 H new ATOM 45 N PRO A 4 -2.861 -13.491 2.246 1.00 0.00 N ATOM 46 CA PRO A 4 -3.871 -14.278 1.517 1.00 0.00 C ATOM 47 C PRO A 4 -4.800 -13.419 0.650 1.00 0.00 C ATOM 48 O PRO A 4 -4.851 -12.191 0.716 1.00 0.00 O ATOM 49 CB PRO A 4 -4.667 -14.927 2.660 1.00 0.00 C ATOM 50 CG PRO A 4 -4.678 -13.832 3.715 1.00 0.00 C ATOM 51 CD PRO A 4 -3.247 -13.277 3.650 1.00 0.00 C ATOM 0 HA PRO A 4 -3.415 -14.977 0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.675 -15.201 2.348 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.188 -15.836 3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.419 -13.064 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.914 -14.226 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.213 -12.221 3.920 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.581 -13.802 4.334 1.00 0.00 H new ATOM 59 N LYS A 5 -5.579 -14.133 -0.170 1.00 0.00 N ATOM 60 CA LYS A 5 -6.573 -13.503 -1.061 1.00 0.00 C ATOM 61 C LYS A 5 -7.565 -12.631 -0.284 1.00 0.00 C ATOM 62 O LYS A 5 -7.908 -11.516 -0.670 1.00 0.00 O ATOM 63 CB LYS A 5 -7.342 -14.603 -1.830 1.00 0.00 C ATOM 64 CG LYS A 5 -8.390 -14.019 -2.807 1.00 0.00 C ATOM 65 CD LYS A 5 -9.179 -15.095 -3.584 1.00 0.00 C ATOM 66 CE LYS A 5 -8.295 -15.932 -4.530 1.00 0.00 C ATOM 67 NZ LYS A 5 -9.132 -16.894 -5.259 1.00 0.00 N ATOM 0 H LYS A 5 -5.544 -15.150 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.038 -12.857 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.633 -15.216 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.841 -15.260 -1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.091 -13.400 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.886 -13.365 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.670 -15.760 -2.874 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.965 -14.612 -4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.776 -15.280 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.530 -16.459 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.536 -17.459 -5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.608 -17.524 -4.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.846 -16.381 -5.815 1.00 0.00 H new ATOM 81 N LYS A 6 -8.036 -13.180 0.841 1.00 0.00 N ATOM 82 CA LYS A 6 -9.013 -12.491 1.702 1.00 0.00 C ATOM 83 C LYS A 6 -8.568 -11.074 2.080 1.00 0.00 C ATOM 84 O LYS A 6 -9.294 -10.091 1.933 1.00 0.00 O ATOM 85 CB LYS A 6 -9.270 -13.330 2.972 1.00 0.00 C ATOM 86 CG LYS A 6 -10.324 -12.708 3.919 1.00 0.00 C ATOM 87 CD LYS A 6 -11.660 -12.361 3.220 1.00 0.00 C ATOM 88 CE LYS A 6 -12.326 -13.572 2.535 1.00 0.00 C ATOM 89 NZ LYS A 6 -13.552 -13.132 1.854 1.00 0.00 N ATOM 0 H LYS A 6 -7.758 -14.101 1.180 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.937 -12.389 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.600 -14.327 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.332 -13.451 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.521 -13.403 4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.911 -11.803 4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.349 -11.945 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.481 -11.585 2.476 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.639 -14.022 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.562 -14.338 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.003 -13.947 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -14.207 -12.722 2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.314 -12.416 1.139 1.00 0.00 H new ATOM 103 N ILE A 7 -7.332 -10.981 2.578 1.00 0.00 N ATOM 104 CA ILE A 7 -6.747 -9.676 2.938 1.00 0.00 C ATOM 105 C ILE A 7 -6.675 -8.739 1.725 1.00 0.00 C ATOM 106 O ILE A 7 -7.090 -7.585 1.773 1.00 0.00 O ATOM 107 CB ILE A 7 -5.350 -9.864 3.583 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.438 -10.636 4.924 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.600 -8.521 3.761 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.212 -9.888 6.033 1.00 0.00 C ATOM 0 H ILE A 7 -6.719 -11.780 2.742 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.402 -9.206 3.672 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.767 -10.468 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.918 -11.598 4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.428 -10.844 5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.627 -8.705 4.216 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.462 -8.050 2.788 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.183 -7.861 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.228 -10.495 6.938 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.721 -8.938 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.234 -9.703 5.702 1.00 0.00 H new ATOM 122 N TRP A 8 -6.140 -9.255 0.614 1.00 0.00 N ATOM 123 CA TRP A 8 -6.004 -8.465 -0.630 1.00 0.00 C ATOM 124 C TRP A 8 -7.322 -7.825 -1.104 1.00 0.00 C ATOM 125 O TRP A 8 -7.377 -6.703 -1.610 1.00 0.00 O ATOM 126 CB TRP A 8 -5.399 -9.346 -1.745 1.00 0.00 C ATOM 127 CG TRP A 8 -3.927 -9.652 -1.435 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.315 -10.916 -1.461 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.895 -8.747 -1.112 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.991 -10.828 -1.169 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.710 -9.510 -0.954 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.849 -7.357 -0.973 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.513 -8.859 -0.642 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.646 -6.721 -0.666 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.481 -7.470 -0.499 1.00 0.00 C ATOM 0 H TRP A 8 -5.793 -10.212 0.543 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.334 -7.636 -0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.962 -10.276 -1.830 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.478 -8.836 -2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.830 -11.839 -1.684 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.330 -11.603 -1.120 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.748 -6.773 -1.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.392 -9.433 -0.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.616 -5.647 -0.557 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.448 -6.975 -0.259 1.00 0.00 H new ATOM 146 N GLU A 9 -8.409 -8.582 -0.938 1.00 0.00 N ATOM 147 CA GLU A 9 -9.764 -8.091 -1.251 1.00 0.00 C ATOM 148 C GLU A 9 -10.188 -6.941 -0.324 1.00 0.00 C ATOM 149 O GLU A 9 -10.684 -5.894 -0.736 1.00 0.00 O ATOM 150 CB GLU A 9 -10.763 -9.263 -1.130 1.00 0.00 C ATOM 151 CG GLU A 9 -10.536 -10.338 -2.219 1.00 0.00 C ATOM 152 CD GLU A 9 -11.408 -11.572 -1.951 1.00 0.00 C ATOM 153 OE1 GLU A 9 -11.182 -12.251 -0.948 1.00 0.00 O ATOM 154 OE2 GLU A 9 -12.303 -11.848 -2.748 1.00 0.00 O ATOM 0 H GLU A 9 -8.383 -9.540 -0.588 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.760 -7.700 -2.269 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.667 -9.720 -0.145 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.781 -8.880 -1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.772 -9.925 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.485 -10.626 -2.239 1.00 0.00 H new ATOM 161 N THR A 10 -9.975 -7.167 0.976 1.00 0.00 N ATOM 162 CA THR A 10 -10.338 -6.191 2.026 1.00 0.00 C ATOM 163 C THR A 10 -9.616 -4.842 1.862 1.00 0.00 C ATOM 164 O THR A 10 -10.193 -3.757 1.946 1.00 0.00 O ATOM 165 CB THR A 10 -10.002 -6.800 3.411 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.765 -7.998 3.593 1.00 0.00 O ATOM 167 CG2 THR A 10 -10.290 -5.846 4.591 1.00 0.00 C ATOM 0 H THR A 10 -9.550 -8.022 1.335 1.00 0.00 H new ATOM 0 HA THR A 10 -11.405 -5.989 1.938 1.00 0.00 H new ATOM 0 HB THR A 10 -8.930 -6.999 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.363 -8.724 3.071 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.031 -6.338 5.528 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.694 -4.940 4.480 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.348 -5.585 4.598 1.00 0.00 H new ATOM 175 N VAL A 11 -8.305 -4.936 1.629 1.00 0.00 N ATOM 176 CA VAL A 11 -7.423 -3.755 1.559 1.00 0.00 C ATOM 177 C VAL A 11 -7.702 -2.859 0.343 1.00 0.00 C ATOM 178 O VAL A 11 -7.564 -1.638 0.407 1.00 0.00 O ATOM 179 CB VAL A 11 -5.931 -4.181 1.593 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.570 -4.929 2.897 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.501 -4.989 0.353 1.00 0.00 C ATOM 0 H VAL A 11 -7.822 -5.823 1.484 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.645 -3.155 2.441 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.362 -3.251 1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.516 -5.208 2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.757 -4.280 3.752 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.181 -5.827 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.448 -5.255 0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.100 -5.897 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.650 -4.387 -0.543 1.00 0.00 H new ATOM 191 N CYS A 12 -8.105 -3.499 -0.768 1.00 0.00 N ATOM 192 CA CYS A 12 -8.363 -2.848 -2.078 1.00 0.00 C ATOM 193 C CYS A 12 -8.623 -1.326 -2.056 1.00 0.00 C ATOM 194 O CYS A 12 -7.832 -0.560 -2.605 1.00 0.00 O ATOM 195 CB CYS A 12 -9.564 -3.541 -2.766 1.00 0.00 C ATOM 196 SG CYS A 12 -9.151 -4.986 -3.776 1.00 0.00 S ATOM 0 H CYS A 12 -8.266 -4.506 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.428 -2.969 -2.626 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.274 -3.847 -1.998 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -10.071 -2.811 -3.397 1.00 0.00 H new ATOM 201 N PRO A 13 -9.708 -0.836 -1.432 1.00 0.00 N ATOM 202 CA PRO A 13 -10.068 0.596 -1.429 1.00 0.00 C ATOM 203 C PRO A 13 -9.040 1.495 -0.728 1.00 0.00 C ATOM 204 O PRO A 13 -8.616 2.536 -1.228 1.00 0.00 O ATOM 205 CB PRO A 13 -11.426 0.632 -0.706 1.00 0.00 C ATOM 206 CG PRO A 13 -11.376 -0.584 0.208 1.00 0.00 C ATOM 207 CD PRO A 13 -10.682 -1.633 -0.667 1.00 0.00 C ATOM 0 HA PRO A 13 -10.102 0.992 -2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.555 1.554 -0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.257 0.571 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.815 -0.382 1.120 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.373 -0.904 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.193 -2.400 -0.066 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.388 -2.144 -1.322 1.00 0.00 H new ATOM 215 N THR A 14 -8.645 1.071 0.476 1.00 0.00 N ATOM 216 CA THR A 14 -7.718 1.851 1.317 1.00 0.00 C ATOM 217 C THR A 14 -6.330 2.003 0.671 1.00 0.00 C ATOM 218 O THR A 14 -5.722 3.071 0.638 1.00 0.00 O ATOM 219 CB THR A 14 -7.574 1.180 2.704 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.871 0.957 3.266 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.763 2.057 3.681 1.00 0.00 C ATOM 0 H THR A 14 -8.950 0.192 0.895 1.00 0.00 H new ATOM 0 HA THR A 14 -8.142 2.849 1.425 1.00 0.00 H new ATOM 0 HB THR A 14 -7.046 0.237 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.778 0.531 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.684 1.552 4.644 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.765 2.225 3.276 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.267 3.015 3.814 1.00 0.00 H new ATOM 229 N VAL A 15 -5.820 0.875 0.167 1.00 0.00 N ATOM 230 CA VAL A 15 -4.496 0.844 -0.485 1.00 0.00 C ATOM 231 C VAL A 15 -4.470 1.566 -1.840 1.00 0.00 C ATOM 232 O VAL A 15 -3.455 2.131 -2.254 1.00 0.00 O ATOM 233 CB VAL A 15 -3.973 -0.608 -0.625 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.827 -1.275 0.758 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.814 -1.472 -1.591 1.00 0.00 C ATOM 0 H VAL A 15 -6.296 -0.027 0.195 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.824 1.396 0.173 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.985 -0.539 -1.079 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.459 -2.293 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.122 -0.706 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.797 -1.298 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.393 -2.476 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.841 -1.527 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.803 -1.023 -2.584 1.00 0.00 H new ATOM 245 N GLU A 16 -5.611 1.544 -2.536 1.00 0.00 N ATOM 246 CA GLU A 16 -5.744 2.111 -3.896 1.00 0.00 C ATOM 247 C GLU A 16 -5.088 3.497 -4.082 1.00 0.00 C ATOM 248 O GLU A 16 -4.245 3.658 -4.960 1.00 0.00 O ATOM 249 CB GLU A 16 -7.237 2.176 -4.285 1.00 0.00 C ATOM 250 CG GLU A 16 -7.482 2.785 -5.687 1.00 0.00 C ATOM 251 CD GLU A 16 -8.984 2.800 -5.999 1.00 0.00 C ATOM 252 OE1 GLU A 16 -9.726 3.504 -5.313 1.00 0.00 O ATOM 253 OE2 GLU A 16 -9.399 2.105 -6.927 1.00 0.00 O ATOM 0 H GLU A 16 -6.474 1.134 -2.178 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.197 1.439 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.656 1.170 -4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.773 2.767 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.084 3.799 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.951 2.205 -6.442 1.00 0.00 H new ATOM 260 N PRO A 17 -5.428 4.528 -3.288 1.00 0.00 N ATOM 261 CA PRO A 17 -4.847 5.878 -3.433 1.00 0.00 C ATOM 262 C PRO A 17 -3.312 5.884 -3.415 1.00 0.00 C ATOM 263 O PRO A 17 -2.647 6.534 -4.221 1.00 0.00 O ATOM 264 CB PRO A 17 -5.433 6.677 -2.253 1.00 0.00 C ATOM 265 CG PRO A 17 -5.854 5.604 -1.258 1.00 0.00 C ATOM 266 CD PRO A 17 -6.379 4.488 -2.171 1.00 0.00 C ATOM 0 HA PRO A 17 -5.097 6.311 -4.401 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.695 7.353 -1.823 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.281 7.287 -2.565 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.017 5.267 -0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.623 5.964 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.379 3.519 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.401 4.678 -2.499 1.00 0.00 H new ATOM 274 N TRP A 18 -2.749 5.128 -2.466 1.00 0.00 N ATOM 275 CA TRP A 18 -1.283 5.031 -2.348 1.00 0.00 C ATOM 276 C TRP A 18 -0.653 4.323 -3.559 1.00 0.00 C ATOM 277 O TRP A 18 0.152 4.874 -4.307 1.00 0.00 O ATOM 278 CB TRP A 18 -0.873 4.293 -1.051 1.00 0.00 C ATOM 279 CG TRP A 18 -1.463 4.964 0.194 1.00 0.00 C ATOM 280 CD1 TRP A 18 -1.428 6.331 0.526 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.102 4.337 1.279 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.006 6.556 1.735 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.426 5.351 2.218 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.418 3.006 1.555 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.071 5.001 3.407 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.064 2.671 2.745 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.390 3.666 3.669 1.00 0.00 C ATOM 0 H TRP A 18 -3.270 4.583 -1.779 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.907 6.054 -2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.209 3.257 -1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.214 4.272 -0.972 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.998 7.100 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.107 7.460 2.197 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.162 2.233 0.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.324 5.766 4.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.312 1.641 2.952 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.890 3.403 4.589 1.00 0.00 H new ATOM 298 N ALA A 19 -1.071 3.070 -3.757 1.00 0.00 N ATOM 299 CA ALA A 19 -0.518 2.175 -4.796 1.00 0.00 C ATOM 300 C ALA A 19 -0.502 2.792 -6.200 1.00 0.00 C ATOM 301 O ALA A 19 0.513 2.832 -6.897 1.00 0.00 O ATOM 302 CB ALA A 19 -1.346 0.873 -4.820 1.00 0.00 C ATOM 0 H ALA A 19 -1.808 2.638 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 19 0.522 1.986 -4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.949 0.203 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.289 0.388 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.386 1.107 -5.049 1.00 0.00 H new ATOM 308 N LYS A 20 -1.677 3.270 -6.615 1.00 0.00 N ATOM 309 CA LYS A 20 -1.827 3.946 -7.918 1.00 0.00 C ATOM 310 C LYS A 20 -0.873 5.141 -8.053 1.00 0.00 C ATOM 311 O LYS A 20 -0.178 5.328 -9.052 1.00 0.00 O ATOM 312 CB LYS A 20 -3.292 4.397 -8.100 1.00 0.00 C ATOM 313 CG LYS A 20 -4.274 3.301 -8.596 1.00 0.00 C ATOM 314 CD LYS A 20 -4.294 1.960 -7.815 1.00 0.00 C ATOM 315 CE LYS A 20 -3.162 0.973 -8.179 1.00 0.00 C ATOM 316 NZ LYS A 20 -3.228 0.649 -9.612 1.00 0.00 N ATOM 0 H LYS A 20 -2.539 3.205 -6.074 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.565 3.236 -8.703 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.656 4.782 -7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.313 5.226 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.281 3.717 -8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.038 3.082 -9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.236 2.178 -6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.252 1.470 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.193 1.412 -7.940 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.255 0.063 -7.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.287 0.359 -9.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.903 -0.128 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.541 1.487 -10.143 1.00 0.00 H new ATOM 330 N LYS A 21 -0.859 5.969 -7.005 1.00 0.00 N ATOM 331 CA LYS A 21 0.074 7.111 -6.928 1.00 0.00 C ATOM 332 C LYS A 21 1.432 6.691 -6.334 1.00 0.00 C ATOM 333 O LYS A 21 1.965 7.257 -5.377 1.00 0.00 O ATOM 334 CB LYS A 21 -0.573 8.221 -6.071 1.00 0.00 C ATOM 335 CG LYS A 21 -1.908 8.736 -6.654 1.00 0.00 C ATOM 336 CD LYS A 21 -2.589 9.790 -5.751 1.00 0.00 C ATOM 337 CE LYS A 21 -1.728 11.046 -5.500 1.00 0.00 C ATOM 338 NZ LYS A 21 -1.408 11.700 -6.778 1.00 0.00 N ATOM 0 H LYS A 21 -1.477 5.876 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 21 0.266 7.482 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.746 7.840 -5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.123 9.055 -5.981 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.727 9.170 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.586 7.894 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.531 10.092 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.833 9.331 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.262 11.740 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.809 10.770 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.946 12.614 -6.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.768 11.093 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.284 11.857 -7.317 1.00 0.00 H new ATOM 352 N CYS A 22 2.018 5.658 -6.944 1.00 0.00 N ATOM 353 CA CYS A 22 3.322 5.132 -6.499 1.00 0.00 C ATOM 354 C CYS A 22 4.030 4.391 -7.640 1.00 0.00 C ATOM 355 O CYS A 22 3.492 4.143 -8.725 1.00 0.00 O ATOM 356 CB CYS A 22 3.099 4.162 -5.310 1.00 0.00 C ATOM 357 SG CYS A 22 4.638 3.729 -4.469 1.00 0.00 S ATOM 0 H CYS A 22 1.617 5.168 -7.744 1.00 0.00 H new ATOM 0 HA CYS A 22 3.951 5.967 -6.189 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.415 4.620 -4.595 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.619 3.253 -5.673 1.00 0.00 H new ATOM 362 N SER A 23 5.284 4.024 -7.373 1.00 0.00 N ATOM 363 CA SER A 23 6.117 3.295 -8.348 1.00 0.00 C ATOM 364 C SER A 23 7.014 2.254 -7.664 1.00 0.00 C ATOM 365 O SER A 23 7.047 2.075 -6.444 1.00 0.00 O ATOM 366 CB SER A 23 6.986 4.305 -9.134 1.00 0.00 C ATOM 367 OG SER A 23 6.147 5.170 -9.905 1.00 0.00 O ATOM 0 H SER A 23 5.752 4.218 -6.488 1.00 0.00 H new ATOM 0 HA SER A 23 5.455 2.761 -9.030 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.592 4.892 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.675 3.773 -9.790 1.00 0.00 H new ATOM 0 HG SER A 23 5.852 5.921 -9.349 1.00 0.00 H new ATOM 373 N GLY A 24 7.770 1.547 -8.508 1.00 0.00 N ATOM 374 CA GLY A 24 8.645 0.453 -8.053 1.00 0.00 C ATOM 375 C GLY A 24 7.927 -0.904 -8.060 1.00 0.00 C ATOM 376 O GLY A 24 6.739 -1.055 -8.345 1.00 0.00 O ATOM 0 H GLY A 24 7.797 1.710 -9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.523 0.401 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.000 0.669 -7.045 1.00 0.00 H new ATOM 380 N ASP A 25 8.718 -1.924 -7.716 1.00 0.00 N ATOM 381 CA ASP A 25 8.261 -3.328 -7.736 1.00 0.00 C ATOM 382 C ASP A 25 7.063 -3.580 -6.815 1.00 0.00 C ATOM 383 O ASP A 25 6.082 -4.234 -7.158 1.00 0.00 O ATOM 384 CB ASP A 25 9.421 -4.265 -7.315 1.00 0.00 C ATOM 385 CG ASP A 25 10.566 -4.219 -8.339 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.257 -3.204 -8.415 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.753 -5.202 -9.052 1.00 0.00 O ATOM 0 H ASP A 25 9.686 -1.808 -7.417 1.00 0.00 H new ATOM 0 HA ASP A 25 7.943 -3.537 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.794 -3.970 -6.334 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.052 -5.287 -7.222 1.00 0.00 H new ATOM 392 N ILE A 26 7.175 -3.046 -5.596 1.00 0.00 N ATOM 393 CA ILE A 26 6.143 -3.233 -4.558 1.00 0.00 C ATOM 394 C ILE A 26 4.799 -2.609 -4.961 1.00 0.00 C ATOM 395 O ILE A 26 3.722 -3.172 -4.764 1.00 0.00 O ATOM 396 CB ILE A 26 6.626 -2.625 -3.220 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.051 -3.090 -2.834 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.622 -2.933 -2.086 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.185 -4.615 -2.630 1.00 0.00 C ATOM 0 H ILE A 26 7.969 -2.479 -5.298 1.00 0.00 H new ATOM 0 HA ILE A 26 5.985 -4.305 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 26 6.676 -1.546 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.747 -2.776 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.350 -2.584 -1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.981 -2.496 -1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.650 -2.508 -2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.526 -4.012 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.213 -4.857 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.517 -4.935 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.920 -5.130 -3.553 1.00 0.00 H new ATOM 411 N ALA A 27 4.872 -1.396 -5.521 1.00 0.00 N ATOM 412 CA ALA A 27 3.672 -0.710 -6.041 1.00 0.00 C ATOM 413 C ALA A 27 2.923 -1.580 -7.061 1.00 0.00 C ATOM 414 O ALA A 27 1.703 -1.749 -7.039 1.00 0.00 O ATOM 415 CB ALA A 27 4.083 0.624 -6.696 1.00 0.00 C ATOM 0 H ALA A 27 5.739 -0.869 -5.628 1.00 0.00 H new ATOM 0 HA ALA A 27 3.000 -0.522 -5.204 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.197 1.129 -7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.570 1.258 -5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.773 0.429 -7.517 1.00 0.00 H new ATOM 421 N THR A 28 3.709 -2.149 -7.982 1.00 0.00 N ATOM 422 CA THR A 28 3.191 -3.066 -9.015 1.00 0.00 C ATOM 423 C THR A 28 2.547 -4.323 -8.406 1.00 0.00 C ATOM 424 O THR A 28 1.512 -4.823 -8.846 1.00 0.00 O ATOM 425 CB THR A 28 4.345 -3.470 -9.964 1.00 0.00 C ATOM 426 OG1 THR A 28 4.934 -2.292 -10.523 1.00 0.00 O ATOM 427 CG2 THR A 28 3.884 -4.385 -11.119 1.00 0.00 C ATOM 0 H THR A 28 4.715 -1.991 -8.036 1.00 0.00 H new ATOM 0 HA THR A 28 2.413 -2.542 -9.569 1.00 0.00 H new ATOM 0 HB THR A 28 5.065 -4.029 -9.366 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.515 -1.869 -9.857 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.738 -4.633 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.457 -5.300 -10.710 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.132 -3.868 -11.715 1.00 0.00 H new ATOM 435 N TYR A 29 3.203 -4.850 -7.365 1.00 0.00 N ATOM 436 CA TYR A 29 2.728 -6.060 -6.670 1.00 0.00 C ATOM 437 C TYR A 29 1.323 -5.865 -6.088 1.00 0.00 C ATOM 438 O TYR A 29 0.360 -6.543 -6.439 1.00 0.00 O ATOM 439 CB TYR A 29 3.725 -6.424 -5.542 1.00 0.00 C ATOM 440 CG TYR A 29 3.244 -7.542 -4.643 1.00 0.00 C ATOM 441 CD1 TYR A 29 3.029 -8.824 -5.159 1.00 0.00 C ATOM 442 CD2 TYR A 29 3.005 -7.289 -3.289 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.579 -9.847 -4.322 1.00 0.00 C ATOM 444 CE2 TYR A 29 2.553 -8.311 -2.453 1.00 0.00 C ATOM 445 CZ TYR A 29 2.341 -9.591 -2.970 1.00 0.00 C ATOM 446 OH TYR A 29 1.899 -10.605 -2.142 1.00 0.00 O ATOM 0 H TYR A 29 4.065 -4.460 -6.983 1.00 0.00 H new ATOM 0 HA TYR A 29 2.672 -6.872 -7.395 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.676 -6.713 -5.989 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.914 -5.538 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.211 -9.023 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.171 -6.300 -2.889 1.00 0.00 H new ATOM 0 HE1 TYR A 29 2.415 -10.837 -4.721 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.367 -8.112 -1.408 1.00 0.00 H new ATOM 0 HH TYR A 29 1.007 -10.895 -2.427 1.00 0.00 H new ATOM 456 N ILE A 30 1.228 -4.884 -5.186 1.00 0.00 N ATOM 457 CA ILE A 30 -0.029 -4.529 -4.494 1.00 0.00 C ATOM 458 C ILE A 30 -1.185 -4.298 -5.482 1.00 0.00 C ATOM 459 O ILE A 30 -2.311 -4.763 -5.311 1.00 0.00 O ATOM 460 CB ILE A 30 0.231 -3.259 -3.645 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.297 -3.534 -2.555 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.068 -2.703 -3.013 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.859 -2.246 -1.926 1.00 0.00 C ATOM 0 H ILE A 30 2.022 -4.306 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.332 -5.358 -3.855 1.00 0.00 H new ATOM 0 HB ILE A 30 0.613 -2.494 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.857 -4.152 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.116 -4.106 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.836 -1.813 -2.427 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.774 -2.444 -3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.510 -3.459 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.601 -2.504 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.326 -1.637 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.048 -1.684 -1.462 1.00 0.00 H new ATOM 475 N LYS A 31 -0.869 -3.540 -6.537 1.00 0.00 N ATOM 476 CA LYS A 31 -1.815 -3.288 -7.643 1.00 0.00 C ATOM 477 C LYS A 31 -2.404 -4.599 -8.182 1.00 0.00 C ATOM 478 O LYS A 31 -3.614 -4.785 -8.311 1.00 0.00 O ATOM 479 CB LYS A 31 -1.064 -2.511 -8.756 1.00 0.00 C ATOM 480 CG LYS A 31 -1.863 -2.224 -10.054 1.00 0.00 C ATOM 481 CD LYS A 31 -2.093 -3.437 -10.991 1.00 0.00 C ATOM 482 CE LYS A 31 -0.786 -4.139 -11.421 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.109 -5.318 -12.237 1.00 0.00 N ATOM 0 H LYS A 31 0.037 -3.086 -6.654 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.654 -2.695 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.730 -1.559 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.170 -3.074 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.834 -1.815 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.340 -1.450 -10.616 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.735 -4.159 -10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.627 -3.103 -11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.161 -3.450 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.215 -4.437 -10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.297 -5.968 -12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.937 -5.802 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.321 -5.019 -13.210 1.00 0.00 H new ATOM 497 N ARG A 32 -1.498 -5.531 -8.490 1.00 0.00 N ATOM 498 CA ARG A 32 -1.879 -6.856 -9.014 1.00 0.00 C ATOM 499 C ARG A 32 -2.787 -7.633 -8.047 1.00 0.00 C ATOM 500 O ARG A 32 -3.740 -8.304 -8.438 1.00 0.00 O ATOM 501 CB ARG A 32 -0.607 -7.676 -9.318 1.00 0.00 C ATOM 502 CG ARG A 32 -0.917 -9.061 -9.927 1.00 0.00 C ATOM 503 CD ARG A 32 0.360 -9.864 -10.237 1.00 0.00 C ATOM 504 NE ARG A 32 -0.017 -11.178 -10.785 1.00 0.00 N ATOM 505 CZ ARG A 32 0.897 -12.062 -11.188 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.199 -11.796 -11.109 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.499 -13.231 -11.678 1.00 0.00 N ATOM 0 H ARG A 32 -0.492 -5.397 -8.387 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.450 -6.695 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.025 -7.115 -10.006 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.037 -7.808 -8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.541 -9.628 -9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.493 -8.932 -10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.980 -9.323 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.953 -9.991 -9.332 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.005 -11.419 -10.858 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.515 -10.901 -10.734 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.881 -12.487 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.496 -13.445 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.189 -13.915 -11.989 1.00 0.00 H new ATOM 521 N GLU A 33 -2.475 -7.543 -6.749 1.00 0.00 N ATOM 522 CA GLU A 33 -3.211 -8.316 -5.729 1.00 0.00 C ATOM 523 C GLU A 33 -4.718 -8.026 -5.756 1.00 0.00 C ATOM 524 O GLU A 33 -5.568 -8.910 -5.890 1.00 0.00 O ATOM 525 CB GLU A 33 -2.673 -8.012 -4.313 1.00 0.00 C ATOM 526 CG GLU A 33 -1.150 -8.196 -4.120 1.00 0.00 C ATOM 527 CD GLU A 33 -0.678 -9.554 -4.658 1.00 0.00 C ATOM 528 OE1 GLU A 33 -0.397 -9.652 -5.852 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.608 -10.503 -3.880 1.00 0.00 O ATOM 0 H GLU A 33 -1.730 -6.953 -6.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.055 -9.368 -5.970 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.931 -6.984 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.191 -8.655 -3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.617 -7.395 -4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.904 -8.117 -3.061 1.00 0.00 H new ATOM 536 N CYS A 34 -5.041 -6.737 -5.625 1.00 0.00 N ATOM 537 CA CYS A 34 -6.443 -6.282 -5.664 1.00 0.00 C ATOM 538 C CYS A 34 -7.086 -6.504 -7.043 1.00 0.00 C ATOM 539 O CYS A 34 -8.177 -7.059 -7.188 1.00 0.00 O ATOM 540 CB CYS A 34 -6.515 -4.782 -5.300 1.00 0.00 C ATOM 541 SG CYS A 34 -8.222 -4.185 -5.382 1.00 0.00 S ATOM 0 H CYS A 34 -4.359 -5.990 -5.492 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.999 -6.875 -4.938 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.118 -4.627 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.890 -4.207 -5.983 1.00 0.00 H new ATOM 546 N GLY A 35 -6.371 -6.047 -8.077 1.00 0.00 N ATOM 547 CA GLY A 35 -6.877 -6.080 -9.465 1.00 0.00 C ATOM 548 C GLY A 35 -7.156 -7.502 -9.963 1.00 0.00 C ATOM 549 O GLY A 35 -8.283 -7.891 -10.272 1.00 0.00 O ATOM 0 H GLY A 35 -5.437 -5.648 -7.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.793 -5.492 -9.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.149 -5.606 -10.123 1.00 0.00 H new ATOM 553 N LYS A 36 -6.072 -8.279 -10.059 1.00 0.00 N ATOM 554 CA LYS A 36 -6.152 -9.711 -10.403 1.00 0.00 C ATOM 555 C LYS A 36 -6.795 -10.501 -9.251 1.00 0.00 C ATOM 556 O LYS A 36 -6.158 -11.042 -8.343 1.00 0.00 O ATOM 557 CB LYS A 36 -4.735 -10.249 -10.725 1.00 0.00 C ATOM 558 CG LYS A 36 -4.739 -11.712 -11.219 1.00 0.00 C ATOM 559 CD LYS A 36 -3.323 -12.249 -11.536 1.00 0.00 C ATOM 560 CE LYS A 36 -2.604 -11.488 -12.671 1.00 0.00 C ATOM 561 NZ LYS A 36 -3.396 -11.571 -13.910 1.00 0.00 N ATOM 0 H LYS A 36 -5.122 -7.942 -9.903 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.779 -9.836 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.277 -9.617 -11.486 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.114 -10.175 -9.833 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.199 -12.344 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.358 -11.786 -12.113 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.714 -12.195 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.397 -13.302 -11.808 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.463 -10.445 -12.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.613 -11.911 -12.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.834 -11.207 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.653 -12.562 -14.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.261 -11.002 -13.808 1.00 0.00 H new ATOM 575 N LEU A 37 -8.128 -10.532 -9.301 1.00 0.00 N ATOM 576 CA LEU A 37 -8.952 -11.135 -8.240 1.00 0.00 C ATOM 577 C LEU A 37 -10.360 -11.451 -8.770 1.00 0.00 C ATOM 578 O LEU A 37 -10.982 -10.576 -9.373 1.00 0.00 O ATOM 579 CB LEU A 37 -9.011 -10.129 -7.056 1.00 0.00 C ATOM 580 CG LEU A 37 -9.817 -10.545 -5.796 1.00 0.00 C ATOM 581 CD1 LEU A 37 -11.348 -10.427 -5.974 1.00 0.00 C ATOM 582 CD2 LEU A 37 -9.424 -11.951 -5.301 1.00 0.00 C ATOM 583 OXT LEU A 37 -10.822 -12.572 -8.567 1.00 0.00 O ATOM 0 H LEU A 37 -8.669 -10.143 -10.073 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.516 -12.076 -7.904 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.988 -9.917 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.431 -9.195 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.542 -9.824 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.846 -10.734 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.609 -9.393 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.670 -11.070 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.011 -12.203 -4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.618 -12.681 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.364 -11.964 -5.048 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -4.853 -1.104 9.703 1.00 0.00 N ATOM 597 CA TRP B 1 -5.964 -0.437 10.400 1.00 0.00 C ATOM 598 C TRP B 1 -6.619 -1.314 11.477 1.00 0.00 C ATOM 599 O TRP B 1 -6.828 -0.902 12.620 1.00 0.00 O ATOM 600 CB TRP B 1 -6.982 0.113 9.373 1.00 0.00 C ATOM 601 CG TRP B 1 -7.369 -0.945 8.333 1.00 0.00 C ATOM 602 CD1 TRP B 1 -8.272 -2.011 8.487 1.00 0.00 C ATOM 603 CD2 TRP B 1 -6.857 -1.073 7.031 1.00 0.00 C ATOM 604 NE1 TRP B 1 -8.334 -2.764 7.357 1.00 0.00 N ATOM 605 CE2 TRP B 1 -7.478 -2.208 6.448 1.00 0.00 C ATOM 606 CE3 TRP B 1 -5.914 -0.340 6.306 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -7.146 -2.567 5.140 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -5.589 -0.717 5.002 1.00 0.00 C ATOM 609 CH2 TRP B 1 -6.207 -1.823 4.418 1.00 0.00 C ATOM 0 H1 TRP B 1 -4.919 -0.914 8.683 1.00 0.00 H new ATOM 0 H2 TRP B 1 -3.948 -0.741 10.065 1.00 0.00 H new ATOM 0 H3 TRP B 1 -4.905 -2.129 9.868 1.00 0.00 H new ATOM 0 HA TRP B 1 -5.548 0.407 10.950 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -7.876 0.454 9.895 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -6.557 0.980 8.868 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -8.841 -2.206 9.384 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -8.913 -3.592 7.214 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -5.436 0.518 6.755 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -7.617 -3.425 4.683 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -4.858 -0.151 4.444 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -5.960 -2.106 3.405 1.00 0.00 H new ATOM 622 N SER B 2 -6.965 -2.549 11.101 1.00 0.00 N ATOM 623 CA SER B 2 -7.558 -3.510 12.052 1.00 0.00 C ATOM 624 C SER B 2 -6.472 -4.162 12.923 1.00 0.00 C ATOM 625 O SER B 2 -5.270 -4.039 12.701 1.00 0.00 O ATOM 626 CB SER B 2 -8.310 -4.598 11.255 1.00 0.00 C ATOM 627 OG SER B 2 -9.042 -5.449 12.142 1.00 0.00 O ATOM 0 H SER B 2 -6.848 -2.910 10.154 1.00 0.00 H new ATOM 0 HA SER B 2 -8.247 -2.980 12.710 1.00 0.00 H new ATOM 0 HB2 SER B 2 -8.991 -4.131 10.544 1.00 0.00 H new ATOM 0 HB3 SER B 2 -7.601 -5.189 10.676 1.00 0.00 H new ATOM 0 HG SER B 2 -9.515 -6.133 11.623 1.00 0.00 H new ATOM 633 N THR B 3 -6.917 -4.895 13.946 1.00 0.00 N ATOM 634 CA THR B 3 -5.985 -5.618 14.835 1.00 0.00 C ATOM 635 C THR B 3 -5.097 -6.582 14.033 1.00 0.00 C ATOM 636 O THR B 3 -3.865 -6.564 14.083 1.00 0.00 O ATOM 637 CB THR B 3 -6.784 -6.386 15.913 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.588 -5.461 16.653 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.876 -7.151 16.901 1.00 0.00 C ATOM 0 H THR B 3 -7.903 -5.007 14.183 1.00 0.00 H new ATOM 0 HA THR B 3 -5.334 -4.893 15.323 1.00 0.00 H new ATOM 0 HB THR B 3 -7.399 -7.120 15.393 1.00 0.00 H new ATOM 0 HG1 THR B 3 -8.098 -5.944 17.336 1.00 0.00 H new ATOM 0 HG21 THR B 3 -6.493 -7.671 17.634 1.00 0.00 H new ATOM 0 HG22 THR B 3 -5.273 -7.876 16.354 1.00 0.00 H new ATOM 0 HG23 THR B 3 -5.220 -6.447 17.413 1.00 0.00 H new ATOM 647 N ILE B 4 -5.765 -7.444 13.261 1.00 0.00 N ATOM 648 CA ILE B 4 -5.079 -8.416 12.392 1.00 0.00 C ATOM 649 C ILE B 4 -4.564 -7.756 11.103 1.00 0.00 C ATOM 650 O ILE B 4 -3.385 -7.819 10.749 1.00 0.00 O ATOM 651 CB ILE B 4 -6.032 -9.601 12.060 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.366 -10.495 13.282 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.496 -10.485 10.908 1.00 0.00 C ATOM 654 CD1 ILE B 4 -7.159 -9.804 14.410 1.00 0.00 C ATOM 0 H ILE B 4 -6.783 -7.492 13.217 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.212 -8.798 12.931 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.957 -9.120 11.740 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -6.936 -11.357 12.935 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -5.433 -10.876 13.698 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -6.197 -11.297 10.716 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -5.384 -9.881 10.008 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.528 -10.901 11.188 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -7.340 -10.515 15.216 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -6.586 -8.960 14.793 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -8.112 -9.448 14.019 1.00 0.00 H new ATOM 666 N VAL B 5 -5.493 -7.103 10.395 1.00 0.00 N ATOM 667 CA VAL B 5 -5.223 -6.582 9.038 1.00 0.00 C ATOM 668 C VAL B 5 -4.025 -5.625 8.995 1.00 0.00 C ATOM 669 O VAL B 5 -3.157 -5.720 8.130 1.00 0.00 O ATOM 670 CB VAL B 5 -6.474 -5.894 8.432 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.231 -5.453 6.971 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.732 -6.788 8.517 1.00 0.00 C ATOM 0 H VAL B 5 -6.438 -6.920 10.733 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.970 -7.451 8.431 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.655 -5.005 9.035 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.130 -4.975 6.581 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.401 -4.747 6.937 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -5.991 -6.325 6.363 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.582 -6.263 8.080 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.558 -7.714 7.970 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.945 -7.018 9.561 1.00 0.00 H new ATOM 682 N LYS B 6 -3.985 -4.690 9.951 1.00 0.00 N ATOM 683 CA LYS B 6 -2.899 -3.686 10.024 1.00 0.00 C ATOM 684 C LYS B 6 -1.508 -4.330 9.924 1.00 0.00 C ATOM 685 O LYS B 6 -0.654 -3.970 9.114 1.00 0.00 O ATOM 686 CB LYS B 6 -2.996 -2.920 11.361 1.00 0.00 C ATOM 687 CG LYS B 6 -2.041 -1.714 11.427 1.00 0.00 C ATOM 688 CD LYS B 6 -2.007 -0.965 12.780 1.00 0.00 C ATOM 689 CE LYS B 6 -3.365 -0.403 13.256 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.222 -1.487 13.756 1.00 0.00 N ATOM 0 H LYS B 6 -4.686 -4.601 10.686 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.022 -3.010 9.178 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.020 -2.575 11.504 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -2.772 -3.601 12.182 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.033 -2.058 11.197 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.322 -1.007 10.647 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.625 -1.643 13.543 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -1.298 -0.141 12.703 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.205 0.335 14.042 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.861 0.111 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -5.184 -1.372 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.837 -2.403 13.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.253 -1.454 14.795 1.00 0.00 H new ATOM 704 N LEU B 7 -1.304 -5.328 10.785 1.00 0.00 N ATOM 705 CA LEU B 7 -0.035 -6.082 10.837 1.00 0.00 C ATOM 706 C LEU B 7 0.350 -6.671 9.471 1.00 0.00 C ATOM 707 O LEU B 7 1.502 -6.667 9.039 1.00 0.00 O ATOM 708 CB LEU B 7 -0.173 -7.229 11.864 1.00 0.00 C ATOM 709 CG LEU B 7 -0.540 -6.752 13.291 1.00 0.00 C ATOM 710 CD1 LEU B 7 -0.755 -7.951 14.237 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.512 -5.779 13.865 1.00 0.00 C ATOM 0 H LEU B 7 -2.000 -5.640 11.462 1.00 0.00 H new ATOM 0 HA LEU B 7 0.753 -5.388 11.130 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.937 -7.925 11.516 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.766 -7.781 11.906 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.479 -6.204 13.214 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.011 -7.588 15.232 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.566 -8.573 13.858 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.160 -8.541 14.291 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.214 -5.470 14.867 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.481 -6.277 13.912 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.585 -4.902 13.222 1.00 0.00 H new ATOM 723 N THR B 8 -0.669 -7.199 8.790 1.00 0.00 N ATOM 724 CA THR B 8 -0.481 -7.878 7.494 1.00 0.00 C ATOM 725 C THR B 8 -0.081 -6.913 6.360 1.00 0.00 C ATOM 726 O THR B 8 0.973 -7.022 5.735 1.00 0.00 O ATOM 727 CB THR B 8 -1.793 -8.617 7.128 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.174 -9.477 8.207 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.656 -9.469 5.851 1.00 0.00 C ATOM 0 H THR B 8 -1.637 -7.172 9.110 1.00 0.00 H new ATOM 0 HA THR B 8 0.344 -8.582 7.602 1.00 0.00 H new ATOM 0 HB THR B 8 -2.549 -7.853 6.946 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.543 -8.940 8.939 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.604 -9.965 5.641 1.00 0.00 H new ATOM 0 HG22 THR B 8 -1.389 -8.827 5.012 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.879 -10.219 5.996 1.00 0.00 H new ATOM 737 N ILE B 9 -0.958 -5.935 6.104 1.00 0.00 N ATOM 738 CA ILE B 9 -0.828 -5.055 4.926 1.00 0.00 C ATOM 739 C ILE B 9 0.288 -4.004 5.053 1.00 0.00 C ATOM 740 O ILE B 9 1.110 -3.816 4.158 1.00 0.00 O ATOM 741 CB ILE B 9 -2.194 -4.386 4.596 1.00 0.00 C ATOM 742 CG1 ILE B 9 -2.164 -3.625 3.247 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.699 -3.438 5.710 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.842 -4.521 2.031 1.00 0.00 C ATOM 0 H ILE B 9 -1.765 -5.730 6.693 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.530 -5.696 4.097 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.897 -5.216 4.521 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -3.131 -3.148 3.089 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -1.422 -2.829 3.306 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.655 -3.006 5.415 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.825 -3.999 6.636 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.973 -2.640 5.865 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.839 -3.916 1.124 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.862 -4.978 2.165 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.598 -5.302 1.944 1.00 0.00 H new ATOM 756 N CYS B 10 0.311 -3.317 6.202 1.00 0.00 N ATOM 757 CA CYS B 10 1.206 -2.158 6.416 1.00 0.00 C ATOM 758 C CYS B 10 2.678 -2.368 6.022 1.00 0.00 C ATOM 759 O CYS B 10 3.235 -1.513 5.340 1.00 0.00 O ATOM 760 CB CYS B 10 1.141 -1.643 7.867 1.00 0.00 C ATOM 761 SG CYS B 10 -0.518 -1.082 8.312 1.00 0.00 S ATOM 0 H CYS B 10 -0.279 -3.540 7.004 1.00 0.00 H new ATOM 0 HA CYS B 10 0.811 -1.412 5.727 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.450 -2.436 8.548 1.00 0.00 H new ATOM 0 HB3 CYS B 10 1.847 -0.822 7.992 1.00 0.00 H new ATOM 766 N PRO B 11 3.362 -3.453 6.422 1.00 0.00 N ATOM 767 CA PRO B 11 4.774 -3.685 6.055 1.00 0.00 C ATOM 768 C PRO B 11 5.018 -3.679 4.538 1.00 0.00 C ATOM 769 O PRO B 11 6.018 -3.177 4.024 1.00 0.00 O ATOM 770 CB PRO B 11 5.116 -5.044 6.687 1.00 0.00 C ATOM 771 CG PRO B 11 3.763 -5.718 6.853 1.00 0.00 C ATOM 772 CD PRO B 11 2.849 -4.553 7.253 1.00 0.00 C ATOM 0 HA PRO B 11 5.413 -2.881 6.420 1.00 0.00 H new ATOM 0 HB2 PRO B 11 5.778 -5.628 6.047 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.623 -4.924 7.644 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.432 -6.193 5.930 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.789 -6.493 7.619 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.801 -4.767 7.042 1.00 0.00 H new ATOM 0 HD3 PRO B 11 2.921 -4.327 8.317 1.00 0.00 H new ATOM 780 N THR B 12 4.069 -4.273 3.809 1.00 0.00 N ATOM 781 CA THR B 12 4.093 -4.232 2.333 1.00 0.00 C ATOM 782 C THR B 12 3.993 -2.781 1.830 1.00 0.00 C ATOM 783 O THR B 12 4.715 -2.329 0.943 1.00 0.00 O ATOM 784 CB THR B 12 2.936 -5.078 1.752 1.00 0.00 C ATOM 785 OG1 THR B 12 2.973 -6.391 2.324 1.00 0.00 O ATOM 786 CG2 THR B 12 3.033 -5.217 0.217 1.00 0.00 C ATOM 0 H THR B 12 3.280 -4.784 4.205 1.00 0.00 H new ATOM 0 HA THR B 12 5.040 -4.652 1.994 1.00 0.00 H new ATOM 0 HB THR B 12 2.005 -4.567 1.996 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.472 -7.011 1.753 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.200 -5.819 -0.147 1.00 0.00 H new ATOM 0 HG22 THR B 12 2.994 -4.229 -0.241 1.00 0.00 H new ATOM 0 HG23 THR B 12 3.973 -5.702 -0.046 1.00 0.00 H new ATOM 794 N LEU B 13 3.051 -2.041 2.428 1.00 0.00 N ATOM 795 CA LEU B 13 2.848 -0.611 2.107 1.00 0.00 C ATOM 796 C LEU B 13 4.095 0.247 2.379 1.00 0.00 C ATOM 797 O LEU B 13 4.352 1.253 1.722 1.00 0.00 O ATOM 798 CB LEU B 13 1.655 -0.034 2.903 1.00 0.00 C ATOM 799 CG LEU B 13 0.314 -0.770 2.685 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.805 -0.129 3.533 1.00 0.00 C ATOM 801 CD2 LEU B 13 -0.092 -0.827 1.196 1.00 0.00 C ATOM 0 H LEU B 13 2.414 -2.403 3.138 1.00 0.00 H new ATOM 0 HA LEU B 13 2.641 -0.569 1.038 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.899 -0.059 3.965 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.527 1.014 2.630 1.00 0.00 H new ATOM 0 HG LEU B 13 0.458 -1.799 3.014 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.740 -0.663 3.364 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.540 -0.186 4.589 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.926 0.915 3.246 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -1.041 -1.354 1.098 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.198 0.186 0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.676 -1.353 0.629 1.00 0.00 H new ATOM 813 N LYS B 14 4.865 -0.145 3.400 1.00 0.00 N ATOM 814 CA LYS B 14 6.131 0.537 3.735 1.00 0.00 C ATOM 815 C LYS B 14 7.153 0.397 2.599 1.00 0.00 C ATOM 816 O LYS B 14 7.795 1.344 2.148 1.00 0.00 O ATOM 817 CB LYS B 14 6.729 -0.063 5.030 1.00 0.00 C ATOM 818 CG LYS B 14 5.912 0.245 6.303 1.00 0.00 C ATOM 819 CD LYS B 14 6.012 1.722 6.733 1.00 0.00 C ATOM 820 CE LYS B 14 5.200 2.012 8.009 1.00 0.00 C ATOM 821 NZ LYS B 14 5.363 3.427 8.369 1.00 0.00 N ATOM 0 H LYS B 14 4.638 -0.930 4.011 1.00 0.00 H new ATOM 0 HA LYS B 14 5.912 1.595 3.882 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.807 -1.144 4.914 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.742 0.318 5.160 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.866 -0.008 6.128 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.262 -0.390 7.117 1.00 0.00 H new ATOM 0 HD2 LYS B 14 7.057 1.979 6.903 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.655 2.359 5.924 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.147 1.784 7.845 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.540 1.374 8.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.577 3.722 8.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.263 3.555 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.365 4.007 7.506 1.00 0.00 H new ATOM 835 N SER B 15 7.299 -0.849 2.145 1.00 0.00 N ATOM 836 CA SER B 15 8.187 -1.179 1.012 1.00 0.00 C ATOM 837 C SER B 15 7.800 -0.403 -0.260 1.00 0.00 C ATOM 838 O SER B 15 8.626 0.010 -1.075 1.00 0.00 O ATOM 839 CB SER B 15 8.136 -2.700 0.748 1.00 0.00 C ATOM 840 OG SER B 15 8.498 -3.411 1.936 1.00 0.00 O ATOM 0 H SER B 15 6.815 -1.654 2.542 1.00 0.00 H new ATOM 0 HA SER B 15 9.203 -0.884 1.276 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.134 -2.990 0.431 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.815 -2.960 -0.064 1.00 0.00 H new ATOM 0 HG SER B 15 7.738 -3.424 2.554 1.00 0.00 H new ATOM 846 N MET B 16 6.488 -0.230 -0.430 1.00 0.00 N ATOM 847 CA MET B 16 5.933 0.581 -1.530 1.00 0.00 C ATOM 848 C MET B 16 6.306 2.065 -1.376 1.00 0.00 C ATOM 849 O MET B 16 6.744 2.748 -2.301 1.00 0.00 O ATOM 850 CB MET B 16 4.398 0.407 -1.549 1.00 0.00 C ATOM 851 CG MET B 16 3.724 1.117 -2.739 1.00 0.00 C ATOM 852 SD MET B 16 1.941 0.814 -2.831 1.00 0.00 S ATOM 853 CE MET B 16 1.375 1.631 -1.319 1.00 0.00 C ATOM 0 H MET B 16 5.782 -0.641 0.181 1.00 0.00 H new ATOM 0 HA MET B 16 6.357 0.238 -2.474 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.159 -0.656 -1.585 1.00 0.00 H new ATOM 0 HB3 MET B 16 3.983 0.796 -0.619 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.900 2.190 -2.661 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.191 0.783 -3.665 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.286 1.608 -1.279 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.781 1.112 -0.451 1.00 0.00 H new ATOM 0 HE3 MET B 16 1.716 2.666 -1.315 1.00 0.00 H new ATOM 863 N ALA B 17 6.131 2.547 -0.141 1.00 0.00 N ATOM 864 CA ALA B 17 6.370 3.957 0.227 1.00 0.00 C ATOM 865 C ALA B 17 7.788 4.444 -0.113 1.00 0.00 C ATOM 866 O ALA B 17 8.041 5.625 -0.343 1.00 0.00 O ATOM 867 CB ALA B 17 6.123 4.134 1.740 1.00 0.00 C ATOM 0 H ALA B 17 5.818 1.971 0.640 1.00 0.00 H new ATOM 0 HA ALA B 17 5.678 4.560 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.298 5.173 2.018 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.093 3.864 1.975 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.803 3.490 2.297 1.00 0.00 H new ATOM 873 N LYS B 18 8.727 3.490 -0.122 1.00 0.00 N ATOM 874 CA LYS B 18 10.143 3.760 -0.451 1.00 0.00 C ATOM 875 C LYS B 18 10.322 4.661 -1.684 1.00 0.00 C ATOM 876 O LYS B 18 11.212 5.508 -1.757 1.00 0.00 O ATOM 877 CB LYS B 18 10.885 2.425 -0.694 1.00 0.00 C ATOM 878 CG LYS B 18 10.845 1.407 0.474 1.00 0.00 C ATOM 879 CD LYS B 18 11.703 1.741 1.717 1.00 0.00 C ATOM 880 CE LYS B 18 11.202 2.928 2.565 1.00 0.00 C ATOM 881 NZ LYS B 18 11.986 2.999 3.805 1.00 0.00 N ATOM 0 H LYS B 18 8.534 2.512 0.096 1.00 0.00 H new ATOM 0 HA LYS B 18 10.562 4.293 0.403 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.460 1.951 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.928 2.647 -0.922 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.809 1.298 0.795 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.164 0.437 0.091 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.752 0.857 2.353 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.720 1.954 1.389 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.300 3.858 2.005 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.144 2.805 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.653 3.798 4.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.871 2.114 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.991 3.135 3.573 1.00 0.00 H new ATOM 895 N LYS B 19 9.449 4.460 -2.679 1.00 0.00 N ATOM 896 CA LYS B 19 9.470 5.298 -3.892 1.00 0.00 C ATOM 897 C LYS B 19 8.057 5.475 -4.475 1.00 0.00 C ATOM 898 O LYS B 19 7.704 5.038 -5.573 1.00 0.00 O ATOM 899 CB LYS B 19 10.438 4.673 -4.926 1.00 0.00 C ATOM 900 CG LYS B 19 10.683 5.580 -6.156 1.00 0.00 C ATOM 901 CD LYS B 19 11.587 4.963 -7.248 1.00 0.00 C ATOM 902 CE LYS B 19 13.086 4.851 -6.881 1.00 0.00 C ATOM 903 NZ LYS B 19 13.300 3.858 -5.817 1.00 0.00 N ATOM 0 H LYS B 19 8.729 3.738 -2.673 1.00 0.00 H new ATOM 0 HA LYS B 19 9.827 6.294 -3.631 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.392 4.463 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.034 3.718 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.720 5.832 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.132 6.514 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.213 3.967 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.496 5.563 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.660 4.571 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.457 5.823 -6.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.161 3.312 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.406 4.345 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 12.484 3.215 -5.773 1.00 0.00 H new ATOM 917 N CYS B 20 7.211 6.124 -3.668 1.00 0.00 N ATOM 918 CA CYS B 20 5.892 6.581 -4.148 1.00 0.00 C ATOM 919 C CYS B 20 5.922 8.042 -4.613 1.00 0.00 C ATOM 920 O CYS B 20 6.859 8.810 -4.394 1.00 0.00 O ATOM 921 CB CYS B 20 4.816 6.401 -3.062 1.00 0.00 C ATOM 922 SG CYS B 20 4.503 4.663 -2.683 1.00 0.00 S ATOM 0 H CYS B 20 7.407 6.345 -2.692 1.00 0.00 H new ATOM 0 HA CYS B 20 5.639 5.960 -5.007 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.130 6.917 -2.155 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.889 6.871 -3.391 1.00 0.00 H new ATOM 927 N GLU B 21 4.828 8.422 -5.277 1.00 0.00 N ATOM 928 CA GLU B 21 4.729 9.750 -5.908 1.00 0.00 C ATOM 929 C GLU B 21 4.139 10.794 -4.949 1.00 0.00 C ATOM 930 O GLU B 21 3.423 10.500 -3.992 1.00 0.00 O ATOM 931 CB GLU B 21 3.838 9.648 -7.171 1.00 0.00 C ATOM 932 CG GLU B 21 4.118 8.396 -8.046 1.00 0.00 C ATOM 933 CD GLU B 21 5.623 8.187 -8.264 1.00 0.00 C ATOM 934 OE1 GLU B 21 6.243 8.999 -8.950 1.00 0.00 O ATOM 935 OE2 GLU B 21 6.162 7.216 -7.734 1.00 0.00 O ATOM 0 H GLU B 21 4.001 7.837 -5.394 1.00 0.00 H new ATOM 0 HA GLU B 21 5.735 10.074 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.792 9.637 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.983 10.542 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.693 7.514 -7.567 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.622 8.506 -9.010 1.00 0.00 H new ATOM 942 N GLY B 22 4.443 12.059 -5.259 1.00 0.00 N ATOM 943 CA GLY B 22 3.974 13.217 -4.467 1.00 0.00 C ATOM 944 C GLY B 22 4.439 13.160 -3.006 1.00 0.00 C ATOM 945 O GLY B 22 5.568 13.497 -2.645 1.00 0.00 O ATOM 0 H GLY B 22 5.018 12.316 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.338 14.137 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY B 22 2.885 13.256 -4.497 1.00 0.00 H new ATOM 949 N SER B 23 3.520 12.698 -2.154 1.00 0.00 N ATOM 950 CA SER B 23 3.794 12.497 -0.715 1.00 0.00 C ATOM 951 C SER B 23 2.907 11.373 -0.152 1.00 0.00 C ATOM 952 O SER B 23 2.372 11.396 0.957 1.00 0.00 O ATOM 953 CB SER B 23 3.525 13.811 0.061 1.00 0.00 C ATOM 954 OG SER B 23 4.402 14.848 -0.395 1.00 0.00 O ATOM 0 H SER B 23 2.570 12.452 -2.432 1.00 0.00 H new ATOM 0 HA SER B 23 4.840 12.214 -0.596 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.488 14.116 -0.077 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.670 13.647 1.129 1.00 0.00 H new ATOM 0 HG SER B 23 4.220 15.673 0.102 1.00 0.00 H new ATOM 960 N ILE B 24 2.787 10.329 -0.976 1.00 0.00 N ATOM 961 CA ILE B 24 2.013 9.121 -0.637 1.00 0.00 C ATOM 962 C ILE B 24 2.679 8.312 0.480 1.00 0.00 C ATOM 963 O ILE B 24 2.037 7.777 1.385 1.00 0.00 O ATOM 964 CB ILE B 24 1.827 8.285 -1.928 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.782 8.929 -2.875 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.552 6.785 -1.682 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.638 9.050 -2.279 1.00 0.00 C ATOM 0 H ILE B 24 3.222 10.292 -1.898 1.00 0.00 H new ATOM 0 HA ILE B 24 1.036 9.410 -0.249 1.00 0.00 H new ATOM 0 HB ILE B 24 2.793 8.306 -2.432 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.130 9.923 -3.156 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.729 8.339 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE B 24 1.435 6.275 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE B 24 2.388 6.346 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.639 6.674 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -1.302 9.511 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.012 8.058 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.604 9.666 -1.381 1.00 0.00 H new ATOM 979 N ALA B 25 4.004 8.206 0.379 1.00 0.00 N ATOM 980 CA ALA B 25 4.829 7.546 1.412 1.00 0.00 C ATOM 981 C ALA B 25 4.481 8.034 2.827 1.00 0.00 C ATOM 982 O ALA B 25 4.342 7.275 3.787 1.00 0.00 O ATOM 983 CB ALA B 25 6.311 7.855 1.120 1.00 0.00 C ATOM 0 H ALA B 25 4.539 8.569 -0.410 1.00 0.00 H new ATOM 0 HA ALA B 25 4.633 6.474 1.376 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.938 7.376 1.872 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.574 7.475 0.133 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.470 8.933 1.148 1.00 0.00 H new ATOM 989 N THR B 26 4.336 9.359 2.931 1.00 0.00 N ATOM 990 CA THR B 26 3.973 10.022 4.198 1.00 0.00 C ATOM 991 C THR B 26 2.605 9.559 4.722 1.00 0.00 C ATOM 992 O THR B 26 2.409 9.287 5.907 1.00 0.00 O ATOM 993 CB THR B 26 3.954 11.556 3.987 1.00 0.00 C ATOM 994 OG1 THR B 26 5.219 11.980 3.471 1.00 0.00 O ATOM 995 CG2 THR B 26 3.669 12.332 5.291 1.00 0.00 C ATOM 0 H THR B 26 4.465 10.002 2.149 1.00 0.00 H new ATOM 0 HA THR B 26 4.721 9.749 4.943 1.00 0.00 H new ATOM 0 HB THR B 26 3.148 11.773 3.285 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.208 12.950 3.335 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.667 13.402 5.085 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.696 12.037 5.685 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.442 12.105 6.026 1.00 0.00 H new ATOM 1003 N MET B 27 1.633 9.498 3.808 1.00 0.00 N ATOM 1004 CA MET B 27 0.250 9.101 4.152 1.00 0.00 C ATOM 1005 C MET B 27 0.174 7.681 4.731 1.00 0.00 C ATOM 1006 O MET B 27 -0.414 7.423 5.781 1.00 0.00 O ATOM 1007 CB MET B 27 -0.649 9.196 2.903 1.00 0.00 C ATOM 1008 CG MET B 27 -0.705 10.620 2.317 1.00 0.00 C ATOM 1009 SD MET B 27 -1.725 10.704 0.826 1.00 0.00 S ATOM 1010 CE MET B 27 -1.432 12.429 0.367 1.00 0.00 C ATOM 0 H MET B 27 1.771 9.717 2.821 1.00 0.00 H new ATOM 0 HA MET B 27 -0.100 9.789 4.922 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.280 8.509 2.142 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.658 8.874 3.161 1.00 0.00 H new ATOM 0 HG2 MET B 27 -1.103 11.304 3.066 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.306 10.955 2.083 1.00 0.00 H new ATOM 0 HE1 MET B 27 -1.988 12.663 -0.541 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.764 13.082 1.174 1.00 0.00 H new ATOM 0 HE3 MET B 27 -0.367 12.583 0.191 1.00 0.00 H new ATOM 1020 N ILE B 28 0.786 6.741 4.004 1.00 0.00 N ATOM 1021 CA ILE B 28 0.907 5.338 4.454 1.00 0.00 C ATOM 1022 C ILE B 28 1.444 5.265 5.893 1.00 0.00 C ATOM 1023 O ILE B 28 0.908 4.615 6.791 1.00 0.00 O ATOM 1024 CB ILE B 28 1.883 4.601 3.498 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.353 4.585 2.044 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.207 3.171 3.993 1.00 0.00 C ATOM 1027 CD1 ILE B 28 2.411 4.127 1.022 1.00 0.00 C ATOM 0 H ILE B 28 1.210 6.922 3.094 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.077 4.869 4.437 1.00 0.00 H new ATOM 0 HB ILE B 28 2.816 5.164 3.503 1.00 0.00 H new ATOM 0 HG12 ILE B 28 0.489 3.923 1.985 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.008 5.584 1.778 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.893 2.691 3.295 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.670 3.223 4.979 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.287 2.590 4.055 1.00 0.00 H new ATOM 0 HD11 ILE B 28 1.979 4.137 0.021 1.00 0.00 H new ATOM 0 HD12 ILE B 28 3.265 4.803 1.055 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.739 3.116 1.266 1.00 0.00 H new ATOM 1039 N LYS B 29 2.552 5.984 6.085 1.00 0.00 N ATOM 1040 CA LYS B 29 3.244 6.063 7.382 1.00 0.00 C ATOM 1041 C LYS B 29 2.347 6.631 8.496 1.00 0.00 C ATOM 1042 O LYS B 29 2.355 6.197 9.649 1.00 0.00 O ATOM 1043 CB LYS B 29 4.483 6.967 7.201 1.00 0.00 C ATOM 1044 CG LYS B 29 5.381 7.020 8.451 1.00 0.00 C ATOM 1045 CD LYS B 29 6.545 8.028 8.336 1.00 0.00 C ATOM 1046 CE LYS B 29 6.082 9.489 8.132 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.175 9.886 9.220 1.00 0.00 N ATOM 0 H LYS B 29 2.998 6.530 5.348 1.00 0.00 H new ATOM 0 HA LYS B 29 3.524 5.055 7.689 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.068 6.606 6.356 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.155 7.977 6.953 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.770 7.281 9.316 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.789 6.027 8.637 1.00 0.00 H new ATOM 0 HD2 LYS B 29 7.154 7.971 9.238 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.184 7.738 7.502 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.946 10.153 8.107 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.576 9.588 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 4.990 10.908 9.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 4.279 9.366 9.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 5.615 9.665 10.136 1.00 0.00 H new ATOM 1061 N LYS B 30 1.561 7.642 8.119 1.00 0.00 N ATOM 1062 CA LYS B 30 0.721 8.393 9.070 1.00 0.00 C ATOM 1063 C LYS B 30 -0.431 7.550 9.635 1.00 0.00 C ATOM 1064 O LYS B 30 -0.630 7.423 10.844 1.00 0.00 O ATOM 1065 CB LYS B 30 0.162 9.650 8.359 1.00 0.00 C ATOM 1066 CG LYS B 30 -0.626 10.600 9.292 1.00 0.00 C ATOM 1067 CD LYS B 30 0.196 11.116 10.494 1.00 0.00 C ATOM 1068 CE LYS B 30 1.481 11.864 10.077 1.00 0.00 C ATOM 1069 NZ LYS B 30 2.205 12.298 11.281 1.00 0.00 N ATOM 0 H LYS B 30 1.485 7.966 7.155 1.00 0.00 H new ATOM 0 HA LYS B 30 1.345 8.677 9.918 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.990 10.200 7.911 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.489 9.335 7.544 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.979 11.453 8.712 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.509 10.080 9.664 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.426 11.782 11.092 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.465 10.273 11.131 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.114 11.214 9.473 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.229 12.726 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 3.071 12.802 11.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.600 12.932 11.840 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 2.457 11.467 11.853 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.207 6.965 8.717 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.398 6.171 9.083 1.00 0.00 C ATOM 1085 C LYS B 31 -2.043 4.981 9.983 1.00 0.00 C ATOM 1086 O LYS B 31 -2.469 4.862 11.133 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.108 5.666 7.802 1.00 0.00 C ATOM 1088 CG LYS B 31 -4.136 6.629 7.159 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.616 8.012 6.695 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.424 9.053 7.820 1.00 0.00 C ATOM 1091 NZ LYS B 31 -4.696 9.277 8.521 1.00 0.00 N ATOM 0 H LYS B 31 -1.037 7.023 7.713 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.067 6.822 9.646 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.346 5.434 7.058 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.617 4.732 8.039 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -4.576 6.127 6.297 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.940 6.794 7.877 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.663 7.872 6.185 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -4.313 8.417 5.962 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.668 8.705 8.524 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -3.061 9.991 7.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -4.653 10.178 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.472 9.312 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -4.865 8.500 9.191 1.00 0.00 H new ATOM 1105 N CYS B 32 -1.233 4.078 9.425 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.764 2.894 10.168 1.00 0.00 C ATOM 1107 C CYS B 32 0.418 3.262 11.082 1.00 0.00 C ATOM 1108 O CYS B 32 0.828 4.416 11.210 1.00 0.00 O ATOM 1109 CB CYS B 32 -0.364 1.814 9.138 1.00 0.00 C ATOM 1110 SG CYS B 32 -0.229 0.166 9.873 1.00 0.00 S ATOM 0 H CYS B 32 -0.887 4.138 8.467 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.556 2.511 10.812 1.00 0.00 H new ATOM 0 HB2 CYS B 32 -1.102 1.791 8.336 1.00 0.00 H new ATOM 0 HB3 CYS B 32 0.590 2.085 8.685 1.00 0.00 H new ATOM 1115 N ASP B 33 0.962 2.249 11.764 1.00 0.00 N ATOM 1116 CA ASP B 33 2.180 2.450 12.575 1.00 0.00 C ATOM 1117 C ASP B 33 3.384 2.819 11.695 1.00 0.00 C ATOM 1118 O ASP B 33 3.353 2.797 10.461 1.00 0.00 O ATOM 1119 CB ASP B 33 2.500 1.163 13.373 1.00 0.00 C ATOM 1120 CG ASP B 33 1.335 0.797 14.305 1.00 0.00 C ATOM 1121 OD1 ASP B 33 0.997 1.599 15.174 1.00 0.00 O ATOM 1122 OD2 ASP B 33 0.781 -0.290 14.151 1.00 0.00 O ATOM 0 H ASP B 33 0.592 1.298 11.776 1.00 0.00 H new ATOM 0 HA ASP B 33 1.992 3.275 13.262 1.00 0.00 H new ATOM 0 HB2 ASP B 33 2.693 0.341 12.684 1.00 0.00 H new ATOM 0 HB3 ASP B 33 3.408 1.308 13.958 1.00 0.00 H new ATOM 1127 N LYS B 34 4.485 3.155 12.367 1.00 0.00 N ATOM 1128 CA LYS B 34 5.710 3.605 11.675 1.00 0.00 C ATOM 1129 C LYS B 34 6.976 3.533 12.553 1.00 0.00 C ATOM 1130 O LYS B 34 6.868 3.292 13.758 1.00 0.00 O ATOM 1131 CB LYS B 34 5.501 5.063 11.189 1.00 0.00 C ATOM 1132 CG LYS B 34 5.259 6.067 12.340 1.00 0.00 C ATOM 1133 CD LYS B 34 5.043 7.505 11.830 1.00 0.00 C ATOM 1134 CE LYS B 34 4.886 8.525 12.974 1.00 0.00 C ATOM 1135 NZ LYS B 34 4.720 9.870 12.406 1.00 0.00 N ATOM 1136 OXT LYS B 34 8.067 3.727 12.022 1.00 0.00 O ATOM 0 H LYS B 34 4.562 3.127 13.384 1.00 0.00 H new ATOM 0 HA LYS B 34 5.875 2.926 10.839 1.00 0.00 H new ATOM 0 HB2 LYS B 34 6.377 5.377 10.621 1.00 0.00 H new ATOM 0 HB3 LYS B 34 4.651 5.092 10.507 1.00 0.00 H new ATOM 0 HG2 LYS B 34 4.387 5.754 12.915 1.00 0.00 H new ATOM 0 HG3 LYS B 34 6.112 6.049 13.019 1.00 0.00 H new ATOM 0 HD2 LYS B 34 5.887 7.795 11.204 1.00 0.00 H new ATOM 0 HD3 LYS B 34 4.154 7.533 11.200 1.00 0.00 H new ATOM 0 HE2 LYS B 34 4.024 8.269 13.589 1.00 0.00 H new ATOM 0 HE3 LYS B 34 5.761 8.498 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 4.333 10.507 13.131 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 5.643 10.228 12.087 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 4.067 9.827 11.598 1.00 0.00 H new TER 1150 LYS B 34