USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=28 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 23 SER OG : rot 180:sc= 0.228 USER MOD Set 1.2: B 26 THR OG1 : rot 119:sc= 0.235 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0517 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0.238 (180deg=0.21) USER MOD Single : A 6 LYS NZ :NH3+ -168:sc=-0.00948 (180deg=-0.205) USER MOD Single : A 10 THR OG1 : rot 78:sc= 0.185 USER MOD Single : A 14 THR OG1 : rot -170:sc= 0.709 USER MOD Single : A 20 LYS NZ :NH3+ -170:sc= 0.0948 (180deg=-0.0317) USER MOD Single : A 21 LYS NZ :NH3+ -169:sc= -0.0089 (180deg=-0.148) USER MOD Single : A 23 SER OG : rot -11:sc= 0.583 USER MOD Single : A 28 THR OG1 : rot 79:sc= 0.529 USER MOD Single : A 29 TYR OH : rot -54:sc= 0.0219 USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= -2.43! (180deg=-2.5!) USER MOD Single : A 36 LYS NZ :NH3+ -125:sc= -1.05 (180deg=-3.84!) USER MOD Single : B 1 TRP N :NH3+ -143:sc= 1.2 (180deg=-0.324) USER MOD Single : B 2 SER OG : rot 150:sc= 0.00482 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 6 LYS NZ :NH3+ -161:sc= 0.503 (180deg=0.356) USER MOD Single : B 8 THR OG1 : rot 78:sc= 0.0589 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 161:sc= -3.03! (180deg=-3.63!) USER MOD Single : B 15 SER OG : rot 73:sc= 0.147 USER MOD Single : B 16 MET CE :methyl 158:sc= -0.0458 (180deg=-0.414) USER MOD Single : B 18 LYS NZ :NH3+ 141:sc= -0.972 (180deg=-3.33!) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 154:sc= 0.626 (180deg=0.264) USER MOD Single : B 30 LYS NZ :NH3+ -127:sc= -0.449 (180deg=-2.58!) USER MOD Single : B 31 LYS NZ :NH3+ 140:sc= -1.44 (180deg=-3.08!) USER MOD Single : B 34 LYS NZ :NH3+ 169:sc= -0.0137 (180deg=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.729 -17.730 -0.255 1.00 0.00 N ATOM 2 CA GLY A 1 2.356 -16.434 -0.552 1.00 0.00 C ATOM 3 C GLY A 1 2.544 -15.580 0.708 1.00 0.00 C ATOM 4 O GLY A 1 2.234 -15.955 1.840 1.00 0.00 O ATOM 0 H1 GLY A 1 2.346 -18.498 -0.587 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.587 -17.820 0.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.810 -17.790 -0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.324 -16.600 -1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.741 -15.890 -1.269 1.00 0.00 H new ATOM 10 N VAL A 2 3.085 -14.381 0.476 1.00 0.00 N ATOM 11 CA VAL A 2 3.326 -13.405 1.559 1.00 0.00 C ATOM 12 C VAL A 2 2.021 -12.987 2.257 1.00 0.00 C ATOM 13 O VAL A 2 1.910 -12.910 3.482 1.00 0.00 O ATOM 14 CB VAL A 2 4.085 -12.171 0.997 1.00 0.00 C ATOM 15 CG1 VAL A 2 3.303 -11.411 -0.100 1.00 0.00 C ATOM 16 CG2 VAL A 2 4.537 -11.215 2.120 1.00 0.00 C ATOM 0 H VAL A 2 3.367 -14.057 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 2 3.945 -13.885 2.317 1.00 0.00 H new ATOM 0 HB VAL A 2 4.975 -12.574 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.893 -10.562 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.106 -12.081 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.358 -11.053 0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.064 -10.366 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.665 -10.859 2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.203 -11.744 2.802 1.00 0.00 H new ATOM 26 N ILE A 3 1.011 -12.716 1.427 1.00 0.00 N ATOM 27 CA ILE A 3 -0.324 -12.309 1.908 1.00 0.00 C ATOM 28 C ILE A 3 -1.406 -13.012 1.069 1.00 0.00 C ATOM 29 O ILE A 3 -1.300 -13.106 -0.156 1.00 0.00 O ATOM 30 CB ILE A 3 -0.454 -10.765 1.770 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.587 -10.028 2.652 1.00 0.00 C ATOM 32 CG2 ILE A 3 -1.888 -10.278 2.071 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.547 -8.489 2.530 1.00 0.00 C ATOM 0 H ILE A 3 1.087 -12.770 0.411 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.452 -12.592 2.953 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.242 -10.519 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.423 -10.303 3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.585 -10.376 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.934 -9.194 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.584 -10.742 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.159 -10.553 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.306 -8.053 3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.743 -8.201 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.437 -8.126 2.827 1.00 0.00 H new ATOM 45 N PRO A 4 -2.475 -13.530 1.694 1.00 0.00 N ATOM 46 CA PRO A 4 -3.569 -14.216 0.988 1.00 0.00 C ATOM 47 C PRO A 4 -4.573 -13.244 0.353 1.00 0.00 C ATOM 48 O PRO A 4 -4.683 -12.066 0.693 1.00 0.00 O ATOM 49 CB PRO A 4 -4.241 -15.023 2.108 1.00 0.00 C ATOM 50 CG PRO A 4 -4.108 -14.094 3.305 1.00 0.00 C ATOM 51 CD PRO A 4 -2.687 -13.532 3.153 1.00 0.00 C ATOM 0 HA PRO A 4 -3.204 -14.817 0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.284 -15.245 1.880 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.742 -15.977 2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.858 -13.303 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.231 -14.629 4.246 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -2.604 -12.529 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.952 -14.153 3.665 1.00 0.00 H new ATOM 59 N LYS A 5 -5.359 -13.807 -0.568 1.00 0.00 N ATOM 60 CA LYS A 5 -6.338 -13.034 -1.357 1.00 0.00 C ATOM 61 C LYS A 5 -7.320 -12.259 -0.470 1.00 0.00 C ATOM 62 O LYS A 5 -7.646 -11.098 -0.703 1.00 0.00 O ATOM 63 CB LYS A 5 -7.106 -13.996 -2.291 1.00 0.00 C ATOM 64 CG LYS A 5 -8.003 -13.264 -3.314 1.00 0.00 C ATOM 65 CD LYS A 5 -8.694 -14.224 -4.311 1.00 0.00 C ATOM 66 CE LYS A 5 -9.683 -15.212 -3.654 1.00 0.00 C ATOM 67 NZ LYS A 5 -10.780 -14.474 -3.013 1.00 0.00 N ATOM 0 H LYS A 5 -5.340 -14.802 -0.791 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.792 -12.295 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.391 -14.621 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.723 -14.662 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.764 -12.695 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.400 -12.546 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -9.228 -13.634 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.929 -14.791 -4.842 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.082 -15.893 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.163 -15.822 -2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.492 -15.146 -2.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.406 -13.919 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.219 -13.834 -3.705 1.00 0.00 H new ATOM 81 N LYS A 6 -7.793 -12.941 0.581 1.00 0.00 N ATOM 82 CA LYS A 6 -8.723 -12.345 1.559 1.00 0.00 C ATOM 83 C LYS A 6 -8.229 -10.994 2.098 1.00 0.00 C ATOM 84 O LYS A 6 -8.936 -9.986 2.110 1.00 0.00 O ATOM 85 CB LYS A 6 -8.933 -13.337 2.728 1.00 0.00 C ATOM 86 CG LYS A 6 -9.898 -12.816 3.819 1.00 0.00 C ATOM 87 CD LYS A 6 -11.313 -12.502 3.280 1.00 0.00 C ATOM 88 CE LYS A 6 -12.267 -11.980 4.375 1.00 0.00 C ATOM 89 NZ LYS A 6 -12.454 -13.006 5.411 1.00 0.00 N ATOM 0 H LYS A 6 -7.548 -13.911 0.780 1.00 0.00 H new ATOM 0 HA LYS A 6 -9.666 -12.154 1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.320 -14.276 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.968 -13.557 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.975 -13.560 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.478 -11.915 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.238 -11.759 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.736 -13.403 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.860 -11.072 4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.229 -11.716 3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.244 -12.734 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.666 -13.919 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.585 -13.092 5.976 1.00 0.00 H new ATOM 103 N ILE A 7 -6.973 -10.993 2.561 1.00 0.00 N ATOM 104 CA ILE A 7 -6.341 -9.762 3.077 1.00 0.00 C ATOM 105 C ILE A 7 -6.317 -8.647 2.020 1.00 0.00 C ATOM 106 O ILE A 7 -6.687 -7.504 2.278 1.00 0.00 O ATOM 107 CB ILE A 7 -4.913 -10.071 3.598 1.00 0.00 C ATOM 108 CG1 ILE A 7 -4.931 -11.027 4.818 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.095 -8.791 3.910 1.00 0.00 C ATOM 110 CD1 ILE A 7 -5.596 -10.432 6.076 1.00 0.00 C ATOM 0 H ILE A 7 -6.375 -11.819 2.591 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.944 -9.398 3.909 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.406 -10.582 2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.455 -11.942 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.906 -11.308 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.105 -9.071 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.996 -8.193 3.004 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.609 -8.208 4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.567 -11.164 6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.059 -9.534 6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.632 -10.177 5.854 1.00 0.00 H new ATOM 122 N TRP A 8 -5.875 -9.003 0.806 1.00 0.00 N ATOM 123 CA TRP A 8 -5.806 -8.034 -0.308 1.00 0.00 C ATOM 124 C TRP A 8 -7.145 -7.332 -0.584 1.00 0.00 C ATOM 125 O TRP A 8 -7.225 -6.132 -0.844 1.00 0.00 O ATOM 126 CB TRP A 8 -5.296 -8.699 -1.603 1.00 0.00 C ATOM 127 CG TRP A 8 -3.826 -9.082 -1.439 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.296 -10.379 -1.327 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.720 -8.216 -1.346 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.948 -10.340 -1.165 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.568 -9.029 -1.177 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.593 -6.828 -1.412 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.314 -8.424 -1.072 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.332 -6.240 -1.311 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.196 -7.035 -1.142 1.00 0.00 C ATOM 0 H TRP A 8 -5.562 -9.944 0.567 1.00 0.00 H new ATOM 0 HA TRP A 8 -5.096 -7.272 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.890 -9.585 -1.827 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.412 -8.016 -2.445 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.882 -11.285 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.331 -11.145 -1.054 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.469 -6.210 -1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.568 -9.033 -0.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.234 -5.166 -1.364 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.777 -6.573 -1.065 1.00 0.00 H new ATOM 146 N GLU A 9 -8.220 -8.122 -0.537 1.00 0.00 N ATOM 147 CA GLU A 9 -9.591 -7.607 -0.732 1.00 0.00 C ATOM 148 C GLU A 9 -9.968 -6.549 0.312 1.00 0.00 C ATOM 149 O GLU A 9 -10.491 -5.474 0.023 1.00 0.00 O ATOM 150 CB GLU A 9 -10.589 -8.780 -0.644 1.00 0.00 C ATOM 151 CG GLU A 9 -10.422 -9.794 -1.794 1.00 0.00 C ATOM 152 CD GLU A 9 -11.271 -11.042 -1.518 1.00 0.00 C ATOM 153 OE1 GLU A 9 -12.495 -10.957 -1.616 1.00 0.00 O ATOM 154 OE2 GLU A 9 -10.700 -12.080 -1.197 1.00 0.00 O ATOM 0 H GLU A 9 -8.174 -9.126 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.631 -7.134 -1.713 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.457 -9.293 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.606 -8.388 -0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.724 -9.340 -2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.373 -10.072 -1.895 1.00 0.00 H new ATOM 161 N THR A 10 -9.693 -6.893 1.573 1.00 0.00 N ATOM 162 CA THR A 10 -10.001 -6.007 2.714 1.00 0.00 C ATOM 163 C THR A 10 -9.263 -4.661 2.615 1.00 0.00 C ATOM 164 O THR A 10 -9.819 -3.577 2.792 1.00 0.00 O ATOM 165 CB THR A 10 -9.619 -6.722 4.032 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.300 -7.979 4.107 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.983 -5.894 5.281 1.00 0.00 C ATOM 0 H THR A 10 -9.258 -7.777 1.836 1.00 0.00 H new ATOM 0 HA THR A 10 -11.070 -5.793 2.697 1.00 0.00 H new ATOM 0 HB THR A 10 -8.538 -6.858 4.020 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.845 -8.632 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.694 -6.442 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.455 -4.941 5.252 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.058 -5.713 5.297 1.00 0.00 H new ATOM 175 N VAL A 11 -7.962 -4.759 2.331 1.00 0.00 N ATOM 176 CA VAL A 11 -7.083 -3.575 2.249 1.00 0.00 C ATOM 177 C VAL A 11 -7.337 -2.705 1.009 1.00 0.00 C ATOM 178 O VAL A 11 -7.127 -1.496 1.035 1.00 0.00 O ATOM 179 CB VAL A 11 -5.591 -3.986 2.324 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.286 -4.745 3.631 1.00 0.00 C ATOM 181 CG2 VAL A 11 -5.109 -4.779 1.093 1.00 0.00 C ATOM 0 H VAL A 11 -7.487 -5.644 2.153 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.332 -2.960 3.114 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.023 -3.056 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.232 -5.020 3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.513 -4.106 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.897 -5.646 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.056 -5.033 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.695 -5.693 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.235 -4.172 0.197 1.00 0.00 H new ATOM 191 N CYS A 12 -7.798 -3.343 -0.080 1.00 0.00 N ATOM 192 CA CYS A 12 -8.010 -2.689 -1.396 1.00 0.00 C ATOM 193 C CYS A 12 -8.374 -1.192 -1.347 1.00 0.00 C ATOM 194 O CYS A 12 -7.652 -0.370 -1.909 1.00 0.00 O ATOM 195 CB CYS A 12 -9.112 -3.428 -2.194 1.00 0.00 C ATOM 196 SG CYS A 12 -8.581 -4.878 -3.145 1.00 0.00 S ATOM 0 H CYS A 12 -8.038 -4.334 -0.079 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.037 -2.754 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.887 -3.742 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.571 -2.718 -2.881 1.00 0.00 H new ATOM 201 N PRO A 13 -9.474 -0.782 -0.690 1.00 0.00 N ATOM 202 CA PRO A 13 -9.911 0.627 -0.623 1.00 0.00 C ATOM 203 C PRO A 13 -8.891 1.559 0.050 1.00 0.00 C ATOM 204 O PRO A 13 -8.593 2.664 -0.403 1.00 0.00 O ATOM 205 CB PRO A 13 -11.225 0.570 0.178 1.00 0.00 C ATOM 206 CG PRO A 13 -11.079 -0.689 1.020 1.00 0.00 C ATOM 207 CD PRO A 13 -10.396 -1.660 0.050 1.00 0.00 C ATOM 0 HA PRO A 13 -10.027 1.048 -1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.353 1.456 0.800 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.093 0.514 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.476 -0.514 1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.045 -1.065 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.865 -2.453 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.114 -2.143 -0.612 1.00 0.00 H new ATOM 215 N THR A 14 -8.363 1.089 1.182 1.00 0.00 N ATOM 216 CA THR A 14 -7.340 1.836 1.944 1.00 0.00 C ATOM 217 C THR A 14 -6.091 2.117 1.093 1.00 0.00 C ATOM 218 O THR A 14 -5.589 3.234 0.979 1.00 0.00 O ATOM 219 CB THR A 14 -6.952 1.019 3.201 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.125 0.764 3.982 1.00 0.00 O ATOM 221 CG2 THR A 14 -5.916 1.741 4.086 1.00 0.00 C ATOM 0 H THR A 14 -8.622 0.194 1.598 1.00 0.00 H new ATOM 0 HA THR A 14 -7.760 2.799 2.235 1.00 0.00 H new ATOM 0 HB THR A 14 -6.500 0.090 2.852 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.866 0.383 4.847 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.682 1.121 4.952 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.007 1.919 3.511 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.325 2.694 4.422 1.00 0.00 H new ATOM 229 N VAL A 15 -5.584 1.038 0.489 1.00 0.00 N ATOM 230 CA VAL A 15 -4.384 1.104 -0.365 1.00 0.00 C ATOM 231 C VAL A 15 -4.672 1.593 -1.797 1.00 0.00 C ATOM 232 O VAL A 15 -3.780 1.728 -2.633 1.00 0.00 O ATOM 233 CB VAL A 15 -3.703 -0.291 -0.407 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.362 -0.799 1.012 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.520 -1.340 -1.191 1.00 0.00 C ATOM 0 H VAL A 15 -5.984 0.104 0.573 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.719 1.844 0.081 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.770 -0.154 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.887 -1.778 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.682 -0.098 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.277 -0.880 1.599 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.991 -2.293 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.497 -1.464 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.650 -1.005 -2.220 1.00 0.00 H new ATOM 245 N GLU A 16 -5.955 1.871 -2.078 1.00 0.00 N ATOM 246 CA GLU A 16 -6.394 2.280 -3.428 1.00 0.00 C ATOM 247 C GLU A 16 -5.654 3.532 -3.929 1.00 0.00 C ATOM 248 O GLU A 16 -4.933 3.457 -4.923 1.00 0.00 O ATOM 249 CB GLU A 16 -7.933 2.481 -3.444 1.00 0.00 C ATOM 250 CG GLU A 16 -8.547 2.893 -4.807 1.00 0.00 C ATOM 251 CD GLU A 16 -8.234 4.357 -5.156 1.00 0.00 C ATOM 252 OE1 GLU A 16 -8.640 5.247 -4.408 1.00 0.00 O ATOM 253 OE2 GLU A 16 -7.593 4.597 -6.177 1.00 0.00 O ATOM 0 H GLU A 16 -6.708 1.821 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.138 1.479 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.405 1.553 -3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.188 3.242 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.161 2.242 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.627 2.750 -4.777 1.00 0.00 H new ATOM 260 N PRO A 17 -5.763 4.692 -3.262 1.00 0.00 N ATOM 261 CA PRO A 17 -5.174 5.951 -3.750 1.00 0.00 C ATOM 262 C PRO A 17 -3.648 5.877 -3.882 1.00 0.00 C ATOM 263 O PRO A 17 -3.036 6.332 -4.847 1.00 0.00 O ATOM 264 CB PRO A 17 -5.600 6.991 -2.700 1.00 0.00 C ATOM 265 CG PRO A 17 -5.752 6.168 -1.430 1.00 0.00 C ATOM 266 CD PRO A 17 -6.394 4.873 -1.941 1.00 0.00 C ATOM 0 HA PRO A 17 -5.519 6.196 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.851 7.775 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.534 7.481 -2.976 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.791 5.982 -0.951 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.382 6.670 -0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.191 4.032 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.477 4.963 -2.020 1.00 0.00 H new ATOM 274 N TRP A 18 -3.034 5.265 -2.864 1.00 0.00 N ATOM 275 CA TRP A 18 -1.566 5.142 -2.801 1.00 0.00 C ATOM 276 C TRP A 18 -1.001 4.331 -3.972 1.00 0.00 C ATOM 277 O TRP A 18 -0.030 4.700 -4.630 1.00 0.00 O ATOM 278 CB TRP A 18 -1.121 4.474 -1.479 1.00 0.00 C ATOM 279 CG TRP A 18 -1.789 5.130 -0.265 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.081 6.493 -0.087 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.180 4.506 0.933 1.00 0.00 C ATOM 282 NE1 TRP A 18 -2.624 6.720 1.136 1.00 0.00 N ATOM 283 CE2 TRP A 18 -2.691 5.521 1.784 1.00 0.00 C ATOM 284 CE3 TRP A 18 -2.127 3.185 1.377 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -3.139 5.180 3.062 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -2.583 2.859 2.655 1.00 0.00 C ATOM 287 CH2 TRP A 18 -3.086 3.855 3.495 1.00 0.00 C ATOM 0 H TRP A 18 -3.525 4.847 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.174 6.157 -2.856 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.371 3.413 -1.504 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.038 4.544 -1.381 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -1.898 7.259 -0.826 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.927 7.622 1.504 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.733 2.414 0.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.528 5.945 3.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.547 1.835 2.995 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.435 3.598 4.484 1.00 0.00 H new ATOM 298 N ALA A 19 -1.651 3.191 -4.229 1.00 0.00 N ATOM 299 CA ALA A 19 -1.195 2.225 -5.246 1.00 0.00 C ATOM 300 C ALA A 19 -0.979 2.863 -6.626 1.00 0.00 C ATOM 301 O ALA A 19 0.063 2.719 -7.267 1.00 0.00 O ATOM 302 CB ALA A 19 -2.220 1.078 -5.353 1.00 0.00 C ATOM 0 H ALA A 19 -2.503 2.909 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.226 1.845 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.887 0.361 -6.104 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.309 0.578 -4.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.190 1.483 -5.643 1.00 0.00 H new ATOM 308 N LYS A 20 -2.004 3.591 -7.082 1.00 0.00 N ATOM 309 CA LYS A 20 -1.910 4.338 -8.352 1.00 0.00 C ATOM 310 C LYS A 20 -0.832 5.430 -8.279 1.00 0.00 C ATOM 311 O LYS A 20 -0.013 5.626 -9.177 1.00 0.00 O ATOM 312 CB LYS A 20 -3.260 4.991 -8.732 1.00 0.00 C ATOM 313 CG LYS A 20 -4.387 3.993 -9.087 1.00 0.00 C ATOM 314 CD LYS A 20 -5.004 3.295 -7.859 1.00 0.00 C ATOM 315 CE LYS A 20 -6.137 2.312 -8.219 1.00 0.00 C ATOM 316 NZ LYS A 20 -7.250 3.038 -8.843 1.00 0.00 N ATOM 0 H LYS A 20 -2.899 3.682 -6.602 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.638 3.612 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.593 5.613 -7.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.100 5.654 -9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.173 4.522 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.990 3.236 -9.763 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.221 2.756 -7.325 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.392 4.052 -7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.764 1.547 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.484 1.799 -7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.072 2.407 -8.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.503 3.858 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.965 3.364 -9.788 1.00 0.00 H new ATOM 330 N LYS A 21 -0.869 6.167 -7.164 1.00 0.00 N ATOM 331 CA LYS A 21 0.085 7.261 -6.903 1.00 0.00 C ATOM 332 C LYS A 21 1.402 6.744 -6.291 1.00 0.00 C ATOM 333 O LYS A 21 1.892 7.181 -5.249 1.00 0.00 O ATOM 334 CB LYS A 21 -0.592 8.268 -5.945 1.00 0.00 C ATOM 335 CG LYS A 21 -1.904 8.857 -6.505 1.00 0.00 C ATOM 336 CD LYS A 21 -2.602 9.782 -5.487 1.00 0.00 C ATOM 337 CE LYS A 21 -3.940 10.348 -6.003 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.708 11.176 -7.197 1.00 0.00 N ATOM 0 H LYS A 21 -1.553 6.028 -6.420 1.00 0.00 H new ATOM 0 HA LYS A 21 0.344 7.740 -7.847 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.800 7.773 -4.997 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.102 9.081 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.691 9.416 -7.416 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.578 8.045 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.780 9.229 -4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.936 10.609 -5.240 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.621 9.532 -6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.417 10.943 -5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.575 11.701 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.936 11.847 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.448 10.565 -7.998 1.00 0.00 H new ATOM 352 N CYS A 22 2.001 5.778 -6.990 1.00 0.00 N ATOM 353 CA CYS A 22 3.281 5.188 -6.555 1.00 0.00 C ATOM 354 C CYS A 22 3.978 4.481 -7.731 1.00 0.00 C ATOM 355 O CYS A 22 3.480 4.394 -8.855 1.00 0.00 O ATOM 356 CB CYS A 22 3.014 4.170 -5.418 1.00 0.00 C ATOM 357 SG CYS A 22 4.529 3.705 -4.544 1.00 0.00 S ATOM 0 H CYS A 22 1.628 5.386 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 22 3.933 5.983 -6.194 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.305 4.598 -4.709 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.549 3.277 -5.835 1.00 0.00 H new ATOM 362 N SER A 23 5.178 3.968 -7.449 1.00 0.00 N ATOM 363 CA SER A 23 5.965 3.228 -8.455 1.00 0.00 C ATOM 364 C SER A 23 6.901 2.200 -7.798 1.00 0.00 C ATOM 365 O SER A 23 6.937 1.984 -6.585 1.00 0.00 O ATOM 366 CB SER A 23 6.778 4.230 -9.311 1.00 0.00 C ATOM 367 OG SER A 23 7.719 4.934 -8.495 1.00 0.00 O ATOM 0 H SER A 23 5.630 4.048 -6.538 1.00 0.00 H new ATOM 0 HA SER A 23 5.275 2.677 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.302 3.698 -10.105 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.103 4.938 -9.793 1.00 0.00 H new ATOM 0 HG SER A 23 7.529 4.758 -7.550 1.00 0.00 H new ATOM 373 N GLY A 24 7.682 1.542 -8.660 1.00 0.00 N ATOM 374 CA GLY A 24 8.606 0.479 -8.230 1.00 0.00 C ATOM 375 C GLY A 24 7.929 -0.896 -8.184 1.00 0.00 C ATOM 376 O GLY A 24 6.732 -1.082 -8.407 1.00 0.00 O ATOM 0 H GLY A 24 7.695 1.725 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.455 0.441 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.000 0.721 -7.243 1.00 0.00 H new ATOM 380 N ASP A 25 8.761 -1.889 -7.861 1.00 0.00 N ATOM 381 CA ASP A 25 8.349 -3.306 -7.854 1.00 0.00 C ATOM 382 C ASP A 25 7.186 -3.590 -6.896 1.00 0.00 C ATOM 383 O ASP A 25 6.213 -4.274 -7.212 1.00 0.00 O ATOM 384 CB ASP A 25 9.551 -4.201 -7.466 1.00 0.00 C ATOM 385 CG ASP A 25 10.658 -4.125 -8.529 1.00 0.00 C ATOM 386 OD1 ASP A 25 11.319 -3.090 -8.630 1.00 0.00 O ATOM 387 OD2 ASP A 25 10.848 -5.105 -9.249 1.00 0.00 O ATOM 0 H ASP A 25 9.735 -1.741 -7.597 1.00 0.00 H new ATOM 0 HA ASP A 25 8.005 -3.534 -8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.947 -3.887 -6.500 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.219 -5.233 -7.354 1.00 0.00 H new ATOM 392 N ILE A 26 7.318 -3.049 -5.681 1.00 0.00 N ATOM 393 CA ILE A 26 6.319 -3.269 -4.616 1.00 0.00 C ATOM 394 C ILE A 26 4.935 -2.731 -5.014 1.00 0.00 C ATOM 395 O ILE A 26 3.904 -3.386 -4.873 1.00 0.00 O ATOM 396 CB ILE A 26 6.781 -2.594 -3.302 1.00 0.00 C ATOM 397 CG1 ILE A 26 8.240 -2.952 -2.921 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.813 -2.935 -2.147 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.478 -4.459 -2.692 1.00 0.00 C ATOM 0 H ILE A 26 8.102 -2.457 -5.405 1.00 0.00 H new ATOM 0 HA ILE A 26 6.233 -4.345 -4.465 1.00 0.00 H new ATOM 0 HB ILE A 26 6.761 -1.518 -3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.906 -2.606 -3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.511 -2.410 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.154 -2.452 -1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.813 -2.580 -2.394 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.788 -4.015 -2.000 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.523 -4.627 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.839 -4.809 -1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 26 8.240 -5.007 -3.604 1.00 0.00 H new ATOM 411 N ALA A 27 4.932 -1.489 -5.510 1.00 0.00 N ATOM 412 CA ALA A 27 3.693 -0.842 -5.990 1.00 0.00 C ATOM 413 C ALA A 27 2.970 -1.701 -7.039 1.00 0.00 C ATOM 414 O ALA A 27 1.759 -1.917 -7.013 1.00 0.00 O ATOM 415 CB ALA A 27 4.036 0.532 -6.601 1.00 0.00 C ATOM 0 H ALA A 27 5.767 -0.909 -5.592 1.00 0.00 H new ATOM 0 HA ALA A 27 3.025 -0.722 -5.137 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.123 1.011 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.504 1.160 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.723 0.397 -7.436 1.00 0.00 H new ATOM 421 N THR A 28 3.768 -2.198 -7.989 1.00 0.00 N ATOM 422 CA THR A 28 3.274 -3.080 -9.065 1.00 0.00 C ATOM 423 C THR A 28 2.642 -4.369 -8.514 1.00 0.00 C ATOM 424 O THR A 28 1.610 -4.855 -8.979 1.00 0.00 O ATOM 425 CB THR A 28 4.445 -3.428 -10.015 1.00 0.00 C ATOM 426 OG1 THR A 28 5.000 -2.220 -10.545 1.00 0.00 O ATOM 427 CG2 THR A 28 4.021 -4.333 -11.193 1.00 0.00 C ATOM 0 H THR A 28 4.768 -2.005 -8.039 1.00 0.00 H new ATOM 0 HA THR A 28 2.494 -2.546 -9.608 1.00 0.00 H new ATOM 0 HB THR A 28 5.177 -3.978 -9.424 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.580 -1.804 -9.873 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.887 -4.541 -11.822 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.620 -5.270 -10.806 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.256 -3.828 -11.783 1.00 0.00 H new ATOM 435 N TYR A 29 3.303 -4.943 -7.504 1.00 0.00 N ATOM 436 CA TYR A 29 2.835 -6.194 -6.881 1.00 0.00 C ATOM 437 C TYR A 29 1.434 -6.014 -6.274 1.00 0.00 C ATOM 438 O TYR A 29 0.478 -6.718 -6.584 1.00 0.00 O ATOM 439 CB TYR A 29 3.827 -6.626 -5.774 1.00 0.00 C ATOM 440 CG TYR A 29 3.557 -7.990 -5.161 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.671 -8.897 -5.755 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.230 -8.354 -3.991 1.00 0.00 C ATOM 443 CE1 TYR A 29 2.457 -10.151 -5.180 1.00 0.00 C ATOM 444 CE2 TYR A 29 4.013 -9.608 -3.414 1.00 0.00 C ATOM 445 CZ TYR A 29 3.123 -10.506 -4.007 1.00 0.00 C ATOM 446 OH TYR A 29 2.898 -11.741 -3.434 1.00 0.00 O ATOM 0 H TYR A 29 4.160 -4.567 -7.099 1.00 0.00 H new ATOM 0 HA TYR A 29 2.782 -6.964 -7.651 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.834 -6.625 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.810 -5.879 -4.981 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.151 -8.625 -6.662 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.921 -7.663 -3.531 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.775 -10.847 -5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.534 -9.883 -2.509 1.00 0.00 H new ATOM 0 HH TYR A 29 1.936 -11.867 -3.295 1.00 0.00 H new ATOM 456 N ILE A 30 1.338 -5.014 -5.393 1.00 0.00 N ATOM 457 CA ILE A 30 0.074 -4.649 -4.720 1.00 0.00 C ATOM 458 C ILE A 30 -1.074 -4.440 -5.723 1.00 0.00 C ATOM 459 O ILE A 30 -2.215 -4.856 -5.525 1.00 0.00 O ATOM 460 CB ILE A 30 0.318 -3.360 -3.889 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.352 -3.619 -2.763 1.00 0.00 C ATOM 462 CG2 ILE A 30 -0.995 -2.768 -3.318 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.834 -2.331 -2.065 1.00 0.00 C ATOM 0 H ILE A 30 2.130 -4.431 -5.122 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.230 -5.468 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 30 0.728 -2.613 -4.569 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.910 -4.282 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.213 -4.139 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.770 -1.868 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.668 -2.517 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.473 -3.502 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.555 -2.586 -1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.305 -1.675 -2.797 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.982 -1.820 -1.615 1.00 0.00 H new ATOM 475 N LYS A 31 -0.733 -3.763 -6.826 1.00 0.00 N ATOM 476 CA LYS A 31 -1.687 -3.493 -7.920 1.00 0.00 C ATOM 477 C LYS A 31 -2.369 -4.786 -8.394 1.00 0.00 C ATOM 478 O LYS A 31 -3.589 -4.901 -8.522 1.00 0.00 O ATOM 479 CB LYS A 31 -0.912 -2.871 -9.109 1.00 0.00 C ATOM 480 CG LYS A 31 -1.813 -2.250 -10.202 1.00 0.00 C ATOM 481 CD LYS A 31 -2.105 -0.749 -9.978 1.00 0.00 C ATOM 482 CE LYS A 31 -2.779 -0.433 -8.631 1.00 0.00 C ATOM 483 NZ LYS A 31 -2.954 1.021 -8.507 1.00 0.00 N ATOM 0 H LYS A 31 0.201 -3.388 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.455 -2.812 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.241 -2.101 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.288 -3.641 -9.563 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.334 -2.378 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.757 -2.795 -10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.169 -0.194 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.744 -0.390 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.745 -0.934 -8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.170 -0.809 -7.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.425 1.238 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.024 1.486 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.537 1.369 -9.295 1.00 0.00 H new ATOM 497 N ARG A 32 -1.522 -5.785 -8.658 1.00 0.00 N ATOM 498 CA ARG A 32 -1.978 -7.109 -9.117 1.00 0.00 C ATOM 499 C ARG A 32 -2.820 -7.839 -8.060 1.00 0.00 C ATOM 500 O ARG A 32 -3.892 -8.380 -8.326 1.00 0.00 O ATOM 501 CB ARG A 32 -0.745 -7.968 -9.480 1.00 0.00 C ATOM 502 CG ARG A 32 -1.127 -9.344 -10.063 1.00 0.00 C ATOM 503 CD ARG A 32 0.109 -10.192 -10.414 1.00 0.00 C ATOM 504 NE ARG A 32 -0.331 -11.472 -10.993 1.00 0.00 N ATOM 505 CZ ARG A 32 0.540 -12.420 -11.346 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.853 -12.251 -11.186 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.087 -13.557 -11.866 1.00 0.00 N ATOM 0 H ARG A 32 -0.510 -5.705 -8.562 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.615 -6.958 -9.989 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.133 -7.429 -10.203 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.134 -8.113 -8.589 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.743 -9.883 -9.343 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.733 -9.202 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.742 -9.658 -11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.708 -10.370 -9.521 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.328 -11.639 -11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.211 -11.383 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.500 -12.989 -11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.916 -13.697 -11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.742 -14.289 -12.140 1.00 0.00 H new ATOM 521 N GLU A 33 -2.310 -7.851 -6.827 1.00 0.00 N ATOM 522 CA GLU A 33 -2.932 -8.623 -5.734 1.00 0.00 C ATOM 523 C GLU A 33 -4.395 -8.230 -5.476 1.00 0.00 C ATOM 524 O GLU A 33 -5.313 -9.051 -5.488 1.00 0.00 O ATOM 525 CB GLU A 33 -2.103 -8.442 -4.446 1.00 0.00 C ATOM 526 CG GLU A 33 -0.654 -8.981 -4.525 1.00 0.00 C ATOM 527 CD GLU A 33 -0.626 -10.517 -4.486 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.019 -11.146 -5.467 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.204 -11.070 -3.471 1.00 0.00 O ATOM 0 H GLU A 33 -1.471 -7.339 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.940 -9.669 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.068 -7.381 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.618 -8.943 -3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.183 -8.630 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.070 -8.583 -3.695 1.00 0.00 H new ATOM 536 N CYS A 34 -4.603 -6.932 -5.233 1.00 0.00 N ATOM 537 CA CYS A 34 -5.965 -6.389 -5.049 1.00 0.00 C ATOM 538 C CYS A 34 -6.827 -6.549 -6.314 1.00 0.00 C ATOM 539 O CYS A 34 -7.940 -7.079 -6.301 1.00 0.00 O ATOM 540 CB CYS A 34 -5.893 -4.895 -4.654 1.00 0.00 C ATOM 541 SG CYS A 34 -7.531 -4.114 -4.693 1.00 0.00 S ATOM 0 H CYS A 34 -3.858 -6.239 -5.159 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.437 -6.961 -4.250 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.469 -4.802 -3.654 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.223 -4.370 -5.335 1.00 0.00 H new ATOM 546 N GLY A 35 -6.274 -6.074 -7.436 1.00 0.00 N ATOM 547 CA GLY A 35 -7.008 -6.019 -8.718 1.00 0.00 C ATOM 548 C GLY A 35 -7.447 -7.398 -9.224 1.00 0.00 C ATOM 549 O GLY A 35 -8.629 -7.722 -9.346 1.00 0.00 O ATOM 0 H GLY A 35 -5.319 -5.720 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.888 -5.386 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.376 -5.547 -9.471 1.00 0.00 H new ATOM 553 N LYS A 36 -6.441 -8.219 -9.538 1.00 0.00 N ATOM 554 CA LYS A 36 -6.659 -9.602 -10.004 1.00 0.00 C ATOM 555 C LYS A 36 -7.464 -10.416 -8.982 1.00 0.00 C ATOM 556 O LYS A 36 -7.013 -10.776 -7.892 1.00 0.00 O ATOM 557 CB LYS A 36 -5.291 -10.283 -10.242 1.00 0.00 C ATOM 558 CG LYS A 36 -5.415 -11.694 -10.860 1.00 0.00 C ATOM 559 CD LYS A 36 -4.062 -12.429 -10.976 1.00 0.00 C ATOM 560 CE LYS A 36 -3.414 -12.706 -9.602 1.00 0.00 C ATOM 561 NZ LYS A 36 -2.201 -13.513 -9.782 1.00 0.00 N ATOM 0 H LYS A 36 -5.458 -7.952 -9.479 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.229 -9.564 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.690 -9.656 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.757 -10.354 -9.294 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.095 -12.291 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.862 -11.612 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.210 -13.373 -11.500 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.380 -11.832 -11.581 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.167 -11.766 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.118 -13.230 -8.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.265 -14.371 -9.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.107 -13.781 -10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.370 -12.959 -9.493 1.00 0.00 H new ATOM 575 N LEU A 37 -8.710 -10.695 -9.368 1.00 0.00 N ATOM 576 CA LEU A 37 -9.648 -11.440 -8.510 1.00 0.00 C ATOM 577 C LEU A 37 -10.786 -12.007 -9.385 1.00 0.00 C ATOM 578 O LEU A 37 -11.826 -11.365 -9.536 1.00 0.00 O ATOM 579 CB LEU A 37 -10.167 -10.505 -7.380 1.00 0.00 C ATOM 580 CG LEU A 37 -10.791 -11.233 -6.163 1.00 0.00 C ATOM 581 CD1 LEU A 37 -11.255 -10.209 -5.109 1.00 0.00 C ATOM 582 CD2 LEU A 37 -11.941 -12.201 -6.517 1.00 0.00 C ATOM 583 OXT LEU A 37 -10.600 -13.088 -9.941 1.00 0.00 O ATOM 0 H LEU A 37 -9.098 -10.418 -10.270 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.153 -12.283 -8.028 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.339 -9.889 -7.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.912 -9.830 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.998 -11.859 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.691 -10.734 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.401 -9.621 -4.773 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.001 -9.547 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.318 -12.666 -5.606 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.745 -11.648 -7.002 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.572 -12.973 -7.193 1.00 0.00 H new TER 595 LEU A 37 ATOM 596 N TRP B 1 -12.330 -1.311 8.547 1.00 0.00 N ATOM 597 CA TRP B 1 -12.072 -2.670 8.049 1.00 0.00 C ATOM 598 C TRP B 1 -11.502 -3.587 9.138 1.00 0.00 C ATOM 599 O TRP B 1 -12.181 -4.476 9.656 1.00 0.00 O ATOM 600 CB TRP B 1 -11.182 -2.653 6.778 1.00 0.00 C ATOM 601 CG TRP B 1 -10.021 -1.653 6.879 1.00 0.00 C ATOM 602 CD1 TRP B 1 -10.130 -0.255 6.972 1.00 0.00 C ATOM 603 CD2 TRP B 1 -8.639 -1.916 6.856 1.00 0.00 C ATOM 604 NE1 TRP B 1 -8.905 0.333 6.996 1.00 0.00 N ATOM 605 CE2 TRP B 1 -7.977 -0.662 6.923 1.00 0.00 C ATOM 606 CE3 TRP B 1 -7.892 -3.095 6.770 1.00 0.00 C ATOM 607 CZ2 TRP B 1 -6.583 -0.620 6.883 1.00 0.00 C ATOM 608 CZ3 TRP B 1 -6.498 -3.033 6.730 1.00 0.00 C ATOM 609 CH2 TRP B 1 -5.846 -1.800 6.779 1.00 0.00 C ATOM 0 H1 TRP B 1 -13.196 -0.939 8.108 1.00 0.00 H new ATOM 0 H2 TRP B 1 -12.448 -1.336 9.580 1.00 0.00 H new ATOM 0 H3 TRP B 1 -11.528 -0.695 8.306 1.00 0.00 H new ATOM 0 HA TRP B 1 -13.035 -3.092 7.762 1.00 0.00 H new ATOM 0 HB2 TRP B 1 -10.781 -3.652 6.607 1.00 0.00 H new ATOM 0 HB3 TRP B 1 -11.796 -2.404 5.913 1.00 0.00 H new ATOM 0 HD1 TRP B 1 -11.066 0.282 7.018 1.00 0.00 H new ATOM 0 HE1 TRP B 1 -8.715 1.333 7.057 1.00 0.00 H new ATOM 0 HE3 TRP B 1 -8.392 -4.051 6.735 1.00 0.00 H new ATOM 0 HZ2 TRP B 1 -6.072 0.330 6.933 1.00 0.00 H new ATOM 0 HZ3 TRP B 1 -5.921 -3.944 6.661 1.00 0.00 H new ATOM 0 HH2 TRP B 1 -4.768 -1.759 6.736 1.00 0.00 H new ATOM 622 N SER B 2 -10.238 -3.353 9.508 1.00 0.00 N ATOM 623 CA SER B 2 -9.589 -4.139 10.577 1.00 0.00 C ATOM 624 C SER B 2 -8.208 -3.588 10.952 1.00 0.00 C ATOM 625 O SER B 2 -7.461 -3.004 10.163 1.00 0.00 O ATOM 626 CB SER B 2 -9.424 -5.612 10.121 1.00 0.00 C ATOM 627 OG SER B 2 -8.770 -6.380 11.137 1.00 0.00 O ATOM 0 H SER B 2 -9.645 -2.635 9.092 1.00 0.00 H new ATOM 0 HA SER B 2 -10.233 -4.073 11.454 1.00 0.00 H new ATOM 0 HB2 SER B 2 -10.401 -6.043 9.903 1.00 0.00 H new ATOM 0 HB3 SER B 2 -8.845 -5.651 9.198 1.00 0.00 H new ATOM 0 HG SER B 2 -9.077 -7.310 11.093 1.00 0.00 H new ATOM 633 N THR B 3 -7.877 -3.819 12.224 1.00 0.00 N ATOM 634 CA THR B 3 -6.548 -3.504 12.773 1.00 0.00 C ATOM 635 C THR B 3 -5.549 -4.621 12.445 1.00 0.00 C ATOM 636 O THR B 3 -4.422 -4.403 12.009 1.00 0.00 O ATOM 637 CB THR B 3 -6.649 -3.320 14.307 1.00 0.00 C ATOM 638 OG1 THR B 3 -7.579 -2.272 14.594 1.00 0.00 O ATOM 639 CG2 THR B 3 -5.294 -2.970 14.961 1.00 0.00 C ATOM 0 H THR B 3 -8.517 -4.228 12.904 1.00 0.00 H new ATOM 0 HA THR B 3 -6.192 -2.579 12.319 1.00 0.00 H new ATOM 0 HB THR B 3 -6.980 -4.272 14.722 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.648 -2.153 15.564 1.00 0.00 H new ATOM 0 HG21 THR B 3 -5.428 -2.853 16.036 1.00 0.00 H new ATOM 0 HG22 THR B 3 -4.580 -3.771 14.769 1.00 0.00 H new ATOM 0 HG23 THR B 3 -4.916 -2.038 14.539 1.00 0.00 H new ATOM 647 N ILE B 4 -5.992 -5.858 12.688 1.00 0.00 N ATOM 648 CA ILE B 4 -5.166 -7.058 12.437 1.00 0.00 C ATOM 649 C ILE B 4 -4.696 -7.116 10.976 1.00 0.00 C ATOM 650 O ILE B 4 -3.518 -7.282 10.655 1.00 0.00 O ATOM 651 CB ILE B 4 -5.981 -8.330 12.794 1.00 0.00 C ATOM 652 CG1 ILE B 4 -6.428 -8.302 14.277 1.00 0.00 C ATOM 653 CG2 ILE B 4 -5.190 -9.619 12.466 1.00 0.00 C ATOM 654 CD1 ILE B 4 -7.329 -9.489 14.678 1.00 0.00 C ATOM 0 H ILE B 4 -6.920 -6.062 13.059 1.00 0.00 H new ATOM 0 HA ILE B 4 -4.278 -7.006 13.067 1.00 0.00 H new ATOM 0 HB ILE B 4 -6.878 -8.335 12.175 1.00 0.00 H new ATOM 0 HG12 ILE B 4 -5.543 -8.298 14.914 1.00 0.00 H new ATOM 0 HG13 ILE B 4 -6.962 -7.371 14.468 1.00 0.00 H new ATOM 0 HG21 ILE B 4 -5.790 -10.491 12.728 1.00 0.00 H new ATOM 0 HG22 ILE B 4 -4.960 -9.644 11.401 1.00 0.00 H new ATOM 0 HG23 ILE B 4 -4.262 -9.632 13.038 1.00 0.00 H new ATOM 0 HD11 ILE B 4 -7.601 -9.400 15.730 1.00 0.00 H new ATOM 0 HD12 ILE B 4 -8.232 -9.483 14.068 1.00 0.00 H new ATOM 0 HD13 ILE B 4 -6.791 -10.424 14.520 1.00 0.00 H new ATOM 666 N VAL B 5 -5.672 -6.975 10.073 1.00 0.00 N ATOM 667 CA VAL B 5 -5.399 -6.939 8.622 1.00 0.00 C ATOM 668 C VAL B 5 -4.421 -5.810 8.265 1.00 0.00 C ATOM 669 O VAL B 5 -3.527 -5.949 7.432 1.00 0.00 O ATOM 670 CB VAL B 5 -6.723 -6.769 7.836 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.493 -6.733 6.310 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.734 -7.887 8.184 1.00 0.00 C ATOM 0 H VAL B 5 -6.659 -6.884 10.315 1.00 0.00 H new ATOM 0 HA VAL B 5 -4.935 -7.885 8.342 1.00 0.00 H new ATOM 0 HB VAL B 5 -7.139 -5.808 8.140 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.449 -6.613 5.801 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.841 -5.896 6.060 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.026 -7.665 5.990 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.652 -7.738 7.615 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.305 -8.857 7.932 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.959 -7.855 9.250 1.00 0.00 H new ATOM 682 N LYS B 6 -4.619 -4.657 8.917 1.00 0.00 N ATOM 683 CA LYS B 6 -3.734 -3.491 8.717 1.00 0.00 C ATOM 684 C LYS B 6 -2.267 -3.841 8.993 1.00 0.00 C ATOM 685 O LYS B 6 -1.362 -3.539 8.218 1.00 0.00 O ATOM 686 CB LYS B 6 -4.172 -2.315 9.618 1.00 0.00 C ATOM 687 CG LYS B 6 -3.382 -1.020 9.331 1.00 0.00 C ATOM 688 CD LYS B 6 -3.711 0.131 10.304 1.00 0.00 C ATOM 689 CE LYS B 6 -3.270 -0.173 11.751 1.00 0.00 C ATOM 690 NZ LYS B 6 -3.532 0.994 12.604 1.00 0.00 N ATOM 0 H LYS B 6 -5.376 -4.502 9.583 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.820 -3.193 7.672 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -5.236 -2.127 9.472 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -4.038 -2.594 10.663 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -2.315 -1.236 9.384 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -3.591 -0.695 8.312 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -3.221 1.042 9.962 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -4.784 0.321 10.287 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -3.809 -1.041 12.131 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -2.209 -0.421 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -2.962 0.925 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -3.279 1.863 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.541 1.021 12.854 1.00 0.00 H new ATOM 704 N LEU B 7 -2.034 -4.500 10.131 1.00 0.00 N ATOM 705 CA LEU B 7 -0.676 -4.928 10.522 1.00 0.00 C ATOM 706 C LEU B 7 -0.010 -5.809 9.456 1.00 0.00 C ATOM 707 O LEU B 7 1.180 -5.710 9.157 1.00 0.00 O ATOM 708 CB LEU B 7 -0.734 -5.694 11.863 1.00 0.00 C ATOM 709 CG LEU B 7 -1.236 -4.838 13.051 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.399 -5.700 14.320 1.00 0.00 C ATOM 711 CD2 LEU B 7 -0.320 -3.625 13.325 1.00 0.00 C ATOM 0 H LEU B 7 -2.762 -4.751 10.800 1.00 0.00 H new ATOM 0 HA LEU B 7 -0.071 -4.027 10.628 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.388 -6.559 11.749 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.260 -6.075 12.096 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.213 -4.445 12.771 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.753 -5.076 15.141 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -2.121 -6.494 14.130 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.438 -6.140 14.587 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.713 -3.055 14.167 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.685 -3.974 13.561 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.285 -2.989 12.441 1.00 0.00 H new ATOM 723 N THR B 8 -0.819 -6.704 8.876 1.00 0.00 N ATOM 724 CA THR B 8 -0.344 -7.640 7.836 1.00 0.00 C ATOM 725 C THR B 8 0.197 -6.907 6.595 1.00 0.00 C ATOM 726 O THR B 8 1.310 -7.126 6.117 1.00 0.00 O ATOM 727 CB THR B 8 -1.507 -8.577 7.422 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.013 -9.246 8.581 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.088 -9.637 6.381 1.00 0.00 C ATOM 0 H THR B 8 -1.808 -6.804 9.106 1.00 0.00 H new ATOM 0 HA THR B 8 0.479 -8.217 8.258 1.00 0.00 H new ATOM 0 HB THR B 8 -2.270 -7.949 6.962 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.588 -8.635 9.087 1.00 0.00 H new ATOM 0 HG21 THR B 8 -1.946 -10.262 6.132 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.728 -9.140 5.480 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.294 -10.259 6.794 1.00 0.00 H new ATOM 737 N ILE B 9 -0.642 -6.013 6.067 1.00 0.00 N ATOM 738 CA ILE B 9 -0.342 -5.299 4.811 1.00 0.00 C ATOM 739 C ILE B 9 0.733 -4.205 4.970 1.00 0.00 C ATOM 740 O ILE B 9 1.599 -4.000 4.122 1.00 0.00 O ATOM 741 CB ILE B 9 -1.657 -4.716 4.225 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.479 -4.136 2.804 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.314 -3.669 5.152 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.002 -5.171 1.767 1.00 0.00 C ATOM 0 H ILE B 9 -1.537 -5.762 6.486 1.00 0.00 H new ATOM 0 HA ILE B 9 0.083 -6.023 4.116 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.332 -5.569 4.153 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.427 -3.713 2.472 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.761 -3.317 2.843 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.229 -3.297 4.690 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.553 -4.130 6.110 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.625 -2.840 5.311 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -0.900 -4.691 0.794 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.038 -5.576 2.074 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -1.730 -5.979 1.698 1.00 0.00 H new ATOM 756 N CYS B 10 0.663 -3.504 6.107 1.00 0.00 N ATOM 757 CA CYS B 10 1.516 -2.339 6.423 1.00 0.00 C ATOM 758 C CYS B 10 3.001 -2.447 6.030 1.00 0.00 C ATOM 759 O CYS B 10 3.517 -1.532 5.389 1.00 0.00 O ATOM 760 CB CYS B 10 1.387 -1.993 7.921 1.00 0.00 C ATOM 761 SG CYS B 10 -0.064 -0.956 8.225 1.00 0.00 S ATOM 0 H CYS B 10 0.002 -3.730 6.851 1.00 0.00 H new ATOM 0 HA CYS B 10 1.133 -1.539 5.790 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.311 -2.911 8.504 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.285 -1.475 8.257 1.00 0.00 H new ATOM 766 N PRO B 11 3.739 -3.510 6.385 1.00 0.00 N ATOM 767 CA PRO B 11 5.157 -3.667 6.003 1.00 0.00 C ATOM 768 C PRO B 11 5.379 -3.572 4.487 1.00 0.00 C ATOM 769 O PRO B 11 6.292 -2.918 3.984 1.00 0.00 O ATOM 770 CB PRO B 11 5.549 -5.050 6.556 1.00 0.00 C ATOM 771 CG PRO B 11 4.219 -5.774 6.716 1.00 0.00 C ATOM 772 CD PRO B 11 3.278 -4.657 7.183 1.00 0.00 C ATOM 0 HA PRO B 11 5.773 -2.865 6.409 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.212 -5.580 5.872 1.00 0.00 H new ATOM 0 HB3 PRO B 11 6.074 -4.965 7.507 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.885 -6.218 5.778 1.00 0.00 H new ATOM 0 HG3 PRO B 11 4.283 -6.581 7.446 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.233 -4.896 6.987 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.367 -4.471 8.253 1.00 0.00 H new ATOM 780 N THR B 12 4.502 -4.261 3.750 1.00 0.00 N ATOM 781 CA THR B 12 4.499 -4.198 2.274 1.00 0.00 C ATOM 782 C THR B 12 4.273 -2.761 1.774 1.00 0.00 C ATOM 783 O THR B 12 4.918 -2.268 0.853 1.00 0.00 O ATOM 784 CB THR B 12 3.397 -5.128 1.710 1.00 0.00 C ATOM 785 OG1 THR B 12 3.557 -6.444 2.253 1.00 0.00 O ATOM 786 CG2 THR B 12 3.441 -5.228 0.170 1.00 0.00 C ATOM 0 H THR B 12 3.784 -4.869 4.144 1.00 0.00 H new ATOM 0 HA THR B 12 5.475 -4.530 1.921 1.00 0.00 H new ATOM 0 HB THR B 12 2.438 -4.697 1.996 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.858 -7.032 1.897 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.648 -5.892 -0.174 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.299 -4.238 -0.263 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.407 -5.625 -0.141 1.00 0.00 H new ATOM 794 N LEU B 13 3.310 -2.083 2.410 1.00 0.00 N ATOM 795 CA LEU B 13 2.967 -0.690 2.057 1.00 0.00 C ATOM 796 C LEU B 13 4.124 0.292 2.280 1.00 0.00 C ATOM 797 O LEU B 13 4.269 1.303 1.595 1.00 0.00 O ATOM 798 CB LEU B 13 1.741 -0.216 2.869 1.00 0.00 C ATOM 799 CG LEU B 13 0.487 -1.090 2.662 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.687 -0.581 3.523 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.089 -1.195 1.172 1.00 0.00 C ATOM 0 H LEU B 13 2.752 -2.471 3.171 1.00 0.00 H new ATOM 0 HA LEU B 13 2.741 -0.695 0.991 1.00 0.00 H new ATOM 0 HB2 LEU B 13 1.998 -0.209 3.928 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.507 0.812 2.591 1.00 0.00 H new ATOM 0 HG LEU B 13 0.737 -2.098 2.992 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.559 -1.214 3.359 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.407 -0.614 4.576 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.925 0.445 3.243 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.799 -1.820 1.076 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -0.124 -0.200 0.781 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.908 -1.639 0.607 1.00 0.00 H new ATOM 813 N LYS B 14 4.935 0.009 3.303 1.00 0.00 N ATOM 814 CA LYS B 14 6.139 0.812 3.584 1.00 0.00 C ATOM 815 C LYS B 14 7.217 0.628 2.511 1.00 0.00 C ATOM 816 O LYS B 14 7.907 1.554 2.089 1.00 0.00 O ATOM 817 CB LYS B 14 6.711 0.472 4.977 1.00 0.00 C ATOM 818 CG LYS B 14 5.802 0.933 6.140 1.00 0.00 C ATOM 819 CD LYS B 14 5.429 2.439 6.135 1.00 0.00 C ATOM 820 CE LYS B 14 6.621 3.424 6.206 1.00 0.00 C ATOM 821 NZ LYS B 14 7.352 3.455 4.930 1.00 0.00 N ATOM 0 H LYS B 14 4.785 -0.765 3.950 1.00 0.00 H new ATOM 0 HA LYS B 14 5.835 1.859 3.571 1.00 0.00 H new ATOM 0 HB2 LYS B 14 6.861 -0.605 5.047 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.690 0.938 5.084 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.883 0.348 6.114 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.300 0.702 7.082 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.859 2.651 5.230 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.769 2.634 6.980 1.00 0.00 H new ATOM 0 HE2 LYS B 14 6.258 4.423 6.447 1.00 0.00 H new ATOM 0 HE3 LYS B 14 7.296 3.128 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 7.924 4.322 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 7.975 2.625 4.867 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 6.674 3.440 4.141 1.00 0.00 H new ATOM 835 N SER B 15 7.374 -0.628 2.080 1.00 0.00 N ATOM 836 CA SER B 15 8.292 -0.958 0.971 1.00 0.00 C ATOM 837 C SER B 15 7.900 -0.209 -0.315 1.00 0.00 C ATOM 838 O SER B 15 8.719 0.306 -1.078 1.00 0.00 O ATOM 839 CB SER B 15 8.286 -2.482 0.728 1.00 0.00 C ATOM 840 OG SER B 15 8.684 -3.162 1.923 1.00 0.00 O ATOM 0 H SER B 15 6.884 -1.431 2.475 1.00 0.00 H new ATOM 0 HA SER B 15 9.298 -0.641 1.248 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.291 -2.808 0.427 1.00 0.00 H new ATOM 0 HB3 SER B 15 8.964 -2.733 -0.088 1.00 0.00 H new ATOM 0 HG SER B 15 7.959 -3.119 2.581 1.00 0.00 H new ATOM 846 N MET B 16 6.585 -0.169 -0.550 1.00 0.00 N ATOM 847 CA MET B 16 5.994 0.623 -1.641 1.00 0.00 C ATOM 848 C MET B 16 6.300 2.119 -1.464 1.00 0.00 C ATOM 849 O MET B 16 6.714 2.836 -2.377 1.00 0.00 O ATOM 850 CB MET B 16 4.462 0.387 -1.637 1.00 0.00 C ATOM 851 CG MET B 16 3.709 1.175 -2.727 1.00 0.00 C ATOM 852 SD MET B 16 1.914 0.927 -2.681 1.00 0.00 S ATOM 853 CE MET B 16 1.510 1.668 -1.077 1.00 0.00 C ATOM 0 H MET B 16 5.900 -0.681 0.006 1.00 0.00 H new ATOM 0 HA MET B 16 6.424 0.310 -2.592 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.267 -0.677 -1.771 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.064 0.664 -0.661 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.925 2.237 -2.612 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.085 0.877 -3.706 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.457 1.951 -1.062 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.703 0.946 -0.284 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.126 2.553 -0.920 1.00 0.00 H new ATOM 863 N ALA B 17 6.103 2.570 -0.222 1.00 0.00 N ATOM 864 CA ALA B 17 6.273 3.984 0.168 1.00 0.00 C ATOM 865 C ALA B 17 7.664 4.540 -0.168 1.00 0.00 C ATOM 866 O ALA B 17 7.846 5.722 -0.459 1.00 0.00 O ATOM 867 CB ALA B 17 6.006 4.134 1.680 1.00 0.00 C ATOM 0 H ALA B 17 5.820 1.966 0.550 1.00 0.00 H new ATOM 0 HA ALA B 17 5.554 4.564 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA B 17 6.131 5.177 1.970 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.988 3.815 1.903 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.710 3.516 2.237 1.00 0.00 H new ATOM 873 N LYS B 18 8.663 3.648 -0.113 1.00 0.00 N ATOM 874 CA LYS B 18 10.062 3.998 -0.435 1.00 0.00 C ATOM 875 C LYS B 18 10.192 4.832 -1.718 1.00 0.00 C ATOM 876 O LYS B 18 10.956 5.795 -1.812 1.00 0.00 O ATOM 877 CB LYS B 18 10.912 2.719 -0.597 1.00 0.00 C ATOM 878 CG LYS B 18 10.999 1.869 0.690 1.00 0.00 C ATOM 879 CD LYS B 18 12.057 0.737 0.638 1.00 0.00 C ATOM 880 CE LYS B 18 11.769 -0.423 -0.345 1.00 0.00 C ATOM 881 NZ LYS B 18 11.776 0.045 -1.739 1.00 0.00 N ATOM 0 H LYS B 18 8.531 2.672 0.153 1.00 0.00 H new ATOM 0 HA LYS B 18 10.422 4.601 0.399 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.490 2.111 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.919 2.998 -0.907 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.227 2.525 1.530 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.022 1.428 0.887 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.018 1.178 0.375 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.161 0.319 1.639 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.518 -1.205 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.801 -0.868 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.228 -0.671 -2.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.798 0.200 -2.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.306 0.937 -1.803 1.00 0.00 H new ATOM 895 N LYS B 19 9.416 4.436 -2.732 1.00 0.00 N ATOM 896 CA LYS B 19 9.424 5.133 -4.030 1.00 0.00 C ATOM 897 C LYS B 19 7.997 5.303 -4.580 1.00 0.00 C ATOM 898 O LYS B 19 7.577 4.731 -5.588 1.00 0.00 O ATOM 899 CB LYS B 19 10.314 4.339 -5.017 1.00 0.00 C ATOM 900 CG LYS B 19 10.556 5.085 -6.351 1.00 0.00 C ATOM 901 CD LYS B 19 11.396 4.271 -7.358 1.00 0.00 C ATOM 902 CE LYS B 19 12.824 3.972 -6.856 1.00 0.00 C ATOM 903 NZ LYS B 19 13.558 3.220 -7.884 1.00 0.00 N ATOM 0 H LYS B 19 8.777 3.642 -2.684 1.00 0.00 H new ATOM 0 HA LYS B 19 9.834 6.135 -3.900 1.00 0.00 H new ATOM 0 HB2 LYS B 19 11.274 4.131 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.846 3.377 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.595 5.329 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.061 6.029 -6.146 1.00 0.00 H new ATOM 0 HD2 LYS B 19 10.887 3.330 -7.569 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.456 4.819 -8.298 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.344 4.903 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.783 3.398 -5.930 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.521 3.018 -7.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.065 2.325 -8.078 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.609 3.784 -8.757 1.00 0.00 H new ATOM 917 N CYS B 20 7.215 6.100 -3.844 1.00 0.00 N ATOM 918 CA CYS B 20 5.905 6.562 -4.344 1.00 0.00 C ATOM 919 C CYS B 20 5.961 8.006 -4.857 1.00 0.00 C ATOM 920 O CYS B 20 6.933 8.747 -4.699 1.00 0.00 O ATOM 921 CB CYS B 20 4.825 6.445 -3.249 1.00 0.00 C ATOM 922 SG CYS B 20 4.450 4.734 -2.806 1.00 0.00 S ATOM 0 H CYS B 20 7.457 6.438 -2.912 1.00 0.00 H new ATOM 0 HA CYS B 20 5.643 5.914 -5.181 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.158 6.980 -2.360 1.00 0.00 H new ATOM 0 HB3 CYS B 20 3.913 6.934 -3.592 1.00 0.00 H new ATOM 927 N GLU B 21 4.855 8.408 -5.491 1.00 0.00 N ATOM 928 CA GLU B 21 4.754 9.754 -6.084 1.00 0.00 C ATOM 929 C GLU B 21 4.351 10.800 -5.034 1.00 0.00 C ATOM 930 O GLU B 21 3.722 10.514 -4.014 1.00 0.00 O ATOM 931 CB GLU B 21 3.701 9.741 -7.218 1.00 0.00 C ATOM 932 CG GLU B 21 3.812 8.526 -8.174 1.00 0.00 C ATOM 933 CD GLU B 21 5.261 8.289 -8.613 1.00 0.00 C ATOM 934 OE1 GLU B 21 5.815 9.130 -9.321 1.00 0.00 O ATOM 935 OE2 GLU B 21 5.826 7.263 -8.231 1.00 0.00 O ATOM 0 H GLU B 21 4.022 7.831 -5.609 1.00 0.00 H new ATOM 0 HA GLU B 21 5.733 10.023 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.705 9.750 -6.774 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.799 10.657 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU B 21 3.431 7.634 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.187 8.694 -9.051 1.00 0.00 H new ATOM 942 N GLY B 22 4.715 12.051 -5.331 1.00 0.00 N ATOM 943 CA GLY B 22 4.401 13.213 -4.472 1.00 0.00 C ATOM 944 C GLY B 22 4.951 13.074 -3.045 1.00 0.00 C ATOM 945 O GLY B 22 6.096 13.399 -2.728 1.00 0.00 O ATOM 0 H GLY B 22 5.237 12.294 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.811 14.115 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.320 13.342 -4.427 1.00 0.00 H new ATOM 949 N SER B 23 4.084 12.556 -2.172 1.00 0.00 N ATOM 950 CA SER B 23 4.439 12.262 -0.771 1.00 0.00 C ATOM 951 C SER B 23 3.390 11.314 -0.157 1.00 0.00 C ATOM 952 O SER B 23 2.886 11.453 0.957 1.00 0.00 O ATOM 953 CB SER B 23 4.519 13.589 0.025 1.00 0.00 C ATOM 954 OG SER B 23 5.028 13.346 1.342 1.00 0.00 O ATOM 0 H SER B 23 3.119 12.327 -2.409 1.00 0.00 H new ATOM 0 HA SER B 23 5.411 11.770 -0.729 1.00 0.00 H new ATOM 0 HB2 SER B 23 5.163 14.296 -0.497 1.00 0.00 H new ATOM 0 HB3 SER B 23 3.531 14.044 0.087 1.00 0.00 H new ATOM 0 HG SER B 23 5.076 14.191 1.835 1.00 0.00 H new ATOM 960 N ILE B 24 3.080 10.290 -0.956 1.00 0.00 N ATOM 961 CA ILE B 24 2.111 9.241 -0.583 1.00 0.00 C ATOM 962 C ILE B 24 2.604 8.378 0.586 1.00 0.00 C ATOM 963 O ILE B 24 1.838 7.890 1.416 1.00 0.00 O ATOM 964 CB ILE B 24 1.800 8.393 -1.846 1.00 0.00 C ATOM 965 CG1 ILE B 24 0.948 9.195 -2.859 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.177 7.013 -1.543 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.452 9.593 -2.342 1.00 0.00 C ATOM 0 H ILE B 24 3.490 10.159 -1.881 1.00 0.00 H new ATOM 0 HA ILE B 24 1.195 9.710 -0.224 1.00 0.00 H new ATOM 0 HB ILE B 24 2.766 8.174 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.490 10.099 -3.136 1.00 0.00 H new ATOM 0 HG13 ILE B 24 0.832 8.603 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE B 24 0.991 6.485 -2.478 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.863 6.431 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.237 7.148 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.980 10.151 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -1.017 8.695 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.348 10.214 -1.452 1.00 0.00 H new ATOM 979 N ALA B 25 3.925 8.184 0.623 1.00 0.00 N ATOM 980 CA ALA B 25 4.602 7.444 1.709 1.00 0.00 C ATOM 981 C ALA B 25 4.100 7.836 3.108 1.00 0.00 C ATOM 982 O ALA B 25 3.869 7.013 3.995 1.00 0.00 O ATOM 983 CB ALA B 25 6.113 7.736 1.622 1.00 0.00 C ATOM 0 H ALA B 25 4.561 8.532 -0.095 1.00 0.00 H new ATOM 0 HA ALA B 25 4.383 6.385 1.576 1.00 0.00 H new ATOM 0 HB1 ALA B 25 6.634 7.199 2.415 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.492 7.409 0.654 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.284 8.807 1.736 1.00 0.00 H new ATOM 989 N THR B 26 3.934 9.151 3.284 1.00 0.00 N ATOM 990 CA THR B 26 3.439 9.737 4.545 1.00 0.00 C ATOM 991 C THR B 26 2.112 9.111 5.002 1.00 0.00 C ATOM 992 O THR B 26 1.906 8.763 6.164 1.00 0.00 O ATOM 993 CB THR B 26 3.254 11.261 4.347 1.00 0.00 C ATOM 994 OG1 THR B 26 4.498 11.840 3.942 1.00 0.00 O ATOM 995 CG2 THR B 26 2.767 11.985 5.623 1.00 0.00 C ATOM 0 H THR B 26 4.137 9.842 2.562 1.00 0.00 H new ATOM 0 HA THR B 26 4.175 9.532 5.323 1.00 0.00 H new ATOM 0 HB THR B 26 2.486 11.388 3.584 1.00 0.00 H new ATOM 0 HG1 THR B 26 4.396 12.248 3.057 1.00 0.00 H new ATOM 0 HG21 THR B 26 2.657 13.050 5.418 1.00 0.00 H new ATOM 0 HG22 THR B 26 1.805 11.574 5.930 1.00 0.00 H new ATOM 0 HG23 THR B 26 3.494 11.843 6.422 1.00 0.00 H new ATOM 1003 N MET B 27 1.192 8.978 4.042 1.00 0.00 N ATOM 1004 CA MET B 27 -0.153 8.426 4.304 1.00 0.00 C ATOM 1005 C MET B 27 -0.114 7.001 4.873 1.00 0.00 C ATOM 1006 O MET B 27 -0.779 6.667 5.854 1.00 0.00 O ATOM 1007 CB MET B 27 -1.008 8.430 3.020 1.00 0.00 C ATOM 1008 CG MET B 27 -1.343 9.834 2.469 1.00 0.00 C ATOM 1009 SD MET B 27 0.113 10.762 1.926 1.00 0.00 S ATOM 1010 CE MET B 27 -0.680 12.262 1.296 1.00 0.00 C ATOM 0 H MET B 27 1.349 9.245 3.070 1.00 0.00 H new ATOM 0 HA MET B 27 -0.602 9.075 5.056 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.482 7.868 2.248 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.940 7.901 3.219 1.00 0.00 H new ATOM 0 HG2 MET B 27 -2.032 9.732 1.631 1.00 0.00 H new ATOM 0 HG3 MET B 27 -1.861 10.404 3.240 1.00 0.00 H new ATOM 0 HE1 MET B 27 0.081 12.946 0.920 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.363 12.000 0.488 1.00 0.00 H new ATOM 0 HE3 MET B 27 -1.236 12.744 2.100 1.00 0.00 H new ATOM 1020 N ILE B 28 0.680 6.138 4.224 1.00 0.00 N ATOM 1021 CA ILE B 28 0.843 4.743 4.685 1.00 0.00 C ATOM 1022 C ILE B 28 1.317 4.707 6.146 1.00 0.00 C ATOM 1023 O ILE B 28 0.750 4.056 7.022 1.00 0.00 O ATOM 1024 CB ILE B 28 1.847 3.963 3.786 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.328 3.691 2.352 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.288 2.628 4.431 1.00 0.00 C ATOM 1027 CD1 ILE B 28 1.178 4.943 1.468 1.00 0.00 C ATOM 0 H ILE B 28 1.215 6.372 3.388 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.131 4.259 4.614 1.00 0.00 H new ATOM 0 HB ILE B 28 2.706 4.628 3.701 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.009 2.997 1.860 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.360 3.194 2.420 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.988 2.118 3.769 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.773 2.828 5.387 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.415 1.996 4.592 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.810 4.652 0.484 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.472 5.633 1.931 1.00 0.00 H new ATOM 0 HD13 ILE B 28 2.146 5.432 1.362 1.00 0.00 H new ATOM 1039 N LYS B 29 2.406 5.444 6.386 1.00 0.00 N ATOM 1040 CA LYS B 29 3.020 5.542 7.724 1.00 0.00 C ATOM 1041 C LYS B 29 2.018 6.000 8.795 1.00 0.00 C ATOM 1042 O LYS B 29 1.980 5.514 9.923 1.00 0.00 O ATOM 1043 CB LYS B 29 4.204 6.533 7.646 1.00 0.00 C ATOM 1044 CG LYS B 29 5.001 6.672 8.962 1.00 0.00 C ATOM 1045 CD LYS B 29 5.642 5.345 9.428 1.00 0.00 C ATOM 1046 CE LYS B 29 6.526 5.512 10.682 1.00 0.00 C ATOM 1047 NZ LYS B 29 5.718 5.989 11.812 1.00 0.00 N ATOM 0 H LYS B 29 2.887 5.987 5.669 1.00 0.00 H new ATOM 0 HA LYS B 29 3.364 4.551 8.020 1.00 0.00 H new ATOM 0 HB2 LYS B 29 4.882 6.210 6.856 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.824 7.514 7.359 1.00 0.00 H new ATOM 0 HG2 LYS B 29 5.784 7.419 8.828 1.00 0.00 H new ATOM 0 HG3 LYS B 29 4.338 7.042 9.744 1.00 0.00 H new ATOM 0 HD2 LYS B 29 4.854 4.621 9.639 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.244 4.934 8.618 1.00 0.00 H new ATOM 0 HE2 LYS B 29 6.993 4.561 10.936 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.331 6.218 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 6.160 5.692 12.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 5.660 7.027 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 4.761 5.587 11.749 1.00 0.00 H new ATOM 1061 N LYS B 30 1.189 6.974 8.410 1.00 0.00 N ATOM 1062 CA LYS B 30 0.197 7.575 9.318 1.00 0.00 C ATOM 1063 C LYS B 30 -0.845 6.546 9.790 1.00 0.00 C ATOM 1064 O LYS B 30 -1.081 6.321 10.977 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.511 8.732 8.572 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.444 9.575 9.469 1.00 0.00 C ATOM 1067 CD LYS B 30 -0.665 10.408 10.510 1.00 0.00 C ATOM 1068 CE LYS B 30 -1.585 11.211 11.454 1.00 0.00 C ATOM 1069 NZ LYS B 30 -2.433 10.295 12.232 1.00 0.00 N ATOM 0 H LYS B 30 1.182 7.368 7.469 1.00 0.00 H new ATOM 0 HA LYS B 30 0.713 7.944 10.204 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.244 9.385 8.134 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.092 8.318 7.747 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -2.038 10.242 8.845 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -2.142 8.915 9.984 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -0.038 9.743 11.103 1.00 0.00 H new ATOM 0 HD3 LYS B 30 0.002 11.096 9.990 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -0.984 11.823 12.127 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -2.208 11.892 10.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.430 10.571 12.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.304 9.323 11.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.165 10.342 13.236 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.473 5.904 8.801 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.530 4.901 9.041 1.00 0.00 C ATOM 1085 C LYS B 31 -2.044 3.724 9.896 1.00 0.00 C ATOM 1086 O LYS B 31 -2.624 3.352 10.915 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.047 4.378 7.680 1.00 0.00 C ATOM 1088 CG LYS B 31 -3.788 5.448 6.847 1.00 0.00 C ATOM 1089 CD LYS B 31 -5.020 6.094 7.529 1.00 0.00 C ATOM 1090 CE LYS B 31 -6.185 5.130 7.853 1.00 0.00 C ATOM 1091 NZ LYS B 31 -5.839 4.235 8.970 1.00 0.00 N ATOM 0 H LYS B 31 -1.269 6.059 7.814 1.00 0.00 H new ATOM 0 HA LYS B 31 -3.330 5.390 9.597 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.204 3.999 7.102 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.718 3.537 7.855 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -3.081 6.237 6.592 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.111 4.994 5.910 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.694 6.566 8.456 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -5.397 6.887 6.883 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -7.076 5.704 8.106 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -6.427 4.538 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.666 4.118 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.553 3.308 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -5.054 4.646 9.514 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.938 3.132 9.439 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.298 1.993 10.127 1.00 0.00 C ATOM 1107 C CYS B 32 0.058 2.309 11.585 1.00 0.00 C ATOM 1108 O CYS B 32 -0.334 1.628 12.534 1.00 0.00 O ATOM 1109 CB CYS B 32 0.977 1.615 9.339 1.00 0.00 C ATOM 1110 SG CYS B 32 0.568 0.895 7.730 1.00 0.00 S ATOM 0 H CYS B 32 -0.458 3.422 8.587 1.00 0.00 H new ATOM 0 HA CYS B 32 -1.004 1.163 10.155 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.595 2.502 9.196 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.567 0.905 9.918 1.00 0.00 H new ATOM 1115 N ASP B 33 0.815 3.398 11.747 1.00 0.00 N ATOM 1116 CA ASP B 33 1.297 3.837 13.069 1.00 0.00 C ATOM 1117 C ASP B 33 1.849 5.263 12.964 1.00 0.00 C ATOM 1118 O ASP B 33 3.006 5.522 12.627 1.00 0.00 O ATOM 1119 CB ASP B 33 2.388 2.862 13.585 1.00 0.00 C ATOM 1120 CG ASP B 33 2.762 3.179 15.044 1.00 0.00 C ATOM 1121 OD1 ASP B 33 3.430 4.184 15.288 1.00 0.00 O ATOM 1122 OD2 ASP B 33 2.374 2.413 15.925 1.00 0.00 O ATOM 0 H ASP B 33 1.111 3.998 10.977 1.00 0.00 H new ATOM 0 HA ASP B 33 0.470 3.832 13.779 1.00 0.00 H new ATOM 0 HB2 ASP B 33 2.028 1.836 13.512 1.00 0.00 H new ATOM 0 HB3 ASP B 33 3.274 2.934 12.954 1.00 0.00 H new ATOM 1127 N LYS B 34 0.957 6.219 13.235 1.00 0.00 N ATOM 1128 CA LYS B 34 1.311 7.652 13.186 1.00 0.00 C ATOM 1129 C LYS B 34 2.373 8.080 14.222 1.00 0.00 C ATOM 1130 O LYS B 34 2.727 7.291 15.099 1.00 0.00 O ATOM 1131 CB LYS B 34 0.013 8.487 13.343 1.00 0.00 C ATOM 1132 CG LYS B 34 -0.774 8.276 14.659 1.00 0.00 C ATOM 1133 CD LYS B 34 -0.155 8.980 15.890 1.00 0.00 C ATOM 1134 CE LYS B 34 -0.988 8.782 17.174 1.00 0.00 C ATOM 1135 NZ LYS B 34 -1.024 7.354 17.526 1.00 0.00 N ATOM 1136 OXT LYS B 34 2.838 9.215 14.141 1.00 0.00 O ATOM 0 H LYS B 34 -0.013 6.035 13.490 1.00 0.00 H new ATOM 0 HA LYS B 34 1.778 7.838 12.219 1.00 0.00 H new ATOM 0 HB2 LYS B 34 0.272 9.543 13.263 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -0.647 8.256 12.507 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -1.793 8.639 14.522 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -0.841 7.207 14.862 1.00 0.00 H new ATOM 0 HD2 LYS B 34 0.852 8.597 16.053 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -0.061 10.046 15.684 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -0.555 9.357 17.992 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -2.001 9.155 17.023 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -1.421 7.242 18.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -1.617 6.843 16.842 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -0.059 6.967 17.505 1.00 0.00 H new TER 1150 LYS B 34