USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 521 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 177:sc= 0.134 (180deg=0) USER MOD Set 1.2: A 10 THR OG1 : rot 74:sc= 0.648 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 170:sc=-0.00853 (180deg=-0.125) USER MOD Single : A 21 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.549) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.524 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.3) USER MOD Single : A 36 LYS NZ :NH3+ -130:sc= -0.464 (180deg=-3.41!) USER MOD Single : B 6 LYS NZ :NH3+ 142:sc= -0.115 (180deg=-1.76!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 174:sc= -1.66 (180deg=-1.72) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 MET CE :methyl 153:sc= -0.0822 (180deg=-0.546) USER MOD Single : B 18 LYS NZ :NH3+ -129:sc= -0.0725 (180deg=-0.57) USER MOD Single : B 19 LYS NZ :NH3+ -114:sc= -4.85! (180deg=-8.13!) 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= -0.0282 (180deg=-0.0282) USER MOD Single : B 29 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.222) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -171:sc= -0.718 (180deg=-0.927) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 0.497 -13.006 1.802 1.00 0.00 N ATOM 27 CA ILE A 3 -0.787 -12.513 2.336 1.00 0.00 C ATOM 28 C ILE A 3 -1.939 -13.234 1.612 1.00 0.00 C ATOM 29 O ILE A 3 -1.878 -13.477 0.406 1.00 0.00 O ATOM 30 CB ILE A 3 -0.859 -10.978 2.094 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.229 -10.232 2.909 1.00 0.00 C ATOM 32 CG2 ILE A 3 -2.266 -10.387 2.348 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.222 -8.696 2.740 1.00 0.00 C ATOM 0 HA ILE A 3 -0.869 -12.712 3.404 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.657 -10.823 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.099 -10.468 3.965 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.208 -10.612 2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.249 -9.313 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.985 -10.860 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.557 -10.571 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.016 -8.260 3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.386 -8.445 1.692 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.741 -8.299 3.062 1.00 0.00 H new ATOM 45 N PRO A 4 -3.019 -13.603 2.316 1.00 0.00 N ATOM 46 CA PRO A 4 -4.160 -14.328 1.724 1.00 0.00 C ATOM 47 C PRO A 4 -5.090 -13.428 0.903 1.00 0.00 C ATOM 48 O PRO A 4 -5.027 -12.198 0.905 1.00 0.00 O ATOM 49 CB PRO A 4 -4.893 -14.873 2.960 1.00 0.00 C ATOM 50 CG PRO A 4 -4.673 -13.776 3.988 1.00 0.00 C ATOM 51 CD PRO A 4 -3.203 -13.390 3.762 1.00 0.00 C ATOM 0 HA PRO A 4 -3.833 -15.091 1.018 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -5.952 -15.037 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -4.479 -15.826 3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.343 -12.931 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -4.846 -14.132 5.003 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -3.010 -12.355 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.528 -14.012 4.350 1.00 0.00 H new ATOM 59 N LYS A 5 -6.003 -14.100 0.197 1.00 0.00 N ATOM 60 CA LYS A 5 -7.012 -13.421 -0.639 1.00 0.00 C ATOM 61 C LYS A 5 -7.851 -12.426 0.171 1.00 0.00 C ATOM 62 O LYS A 5 -8.096 -11.288 -0.225 1.00 0.00 O ATOM 63 CB LYS A 5 -7.942 -14.478 -1.276 1.00 0.00 C ATOM 64 CG LYS A 5 -9.021 -13.849 -2.189 1.00 0.00 C ATOM 65 CD LYS A 5 -9.957 -14.888 -2.840 1.00 0.00 C ATOM 66 CE LYS A 5 -10.802 -15.670 -1.812 1.00 0.00 C ATOM 67 NZ LYS A 5 -11.690 -16.605 -2.522 1.00 0.00 N ATOM 0 H LYS A 5 -6.069 -15.118 0.184 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.485 -12.861 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.344 -15.180 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.428 -15.051 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.618 -13.150 -1.604 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.531 -13.271 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -10.623 -14.381 -3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.361 -15.591 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.151 -16.216 -1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.390 -14.980 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.261 -17.134 -1.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.319 -16.072 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.118 -17.271 -3.080 1.00 0.00 H new ATOM 81 N LYS A 6 -8.298 -12.894 1.342 1.00 0.00 N ATOM 82 CA LYS A 6 -9.142 -12.086 2.243 1.00 0.00 C ATOM 83 C LYS A 6 -8.496 -10.720 2.518 1.00 0.00 C ATOM 84 O LYS A 6 -9.029 -9.662 2.188 1.00 0.00 O ATOM 85 CB LYS A 6 -9.349 -12.869 3.565 1.00 0.00 C ATOM 86 CG LYS A 6 -10.401 -12.273 4.535 1.00 0.00 C ATOM 87 CD LYS A 6 -10.037 -10.891 5.121 1.00 0.00 C ATOM 88 CE LYS A 6 -11.064 -10.395 6.157 1.00 0.00 C ATOM 89 NZ LYS A 6 -10.679 -9.055 6.619 1.00 0.00 N ATOM 0 H LYS A 6 -8.091 -13.829 1.692 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.107 -11.903 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.643 -13.890 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.393 -12.929 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.352 -12.189 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.552 -12.972 5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.054 -10.947 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.965 -10.165 4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.060 -10.367 5.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.109 -11.084 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.397 -8.696 7.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.759 -9.105 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.608 -8.414 5.803 1.00 0.00 H new ATOM 103 N ILE A 7 -7.296 -10.767 3.102 1.00 0.00 N ATOM 104 CA ILE A 7 -6.564 -9.540 3.472 1.00 0.00 C ATOM 105 C ILE A 7 -6.343 -8.608 2.272 1.00 0.00 C ATOM 106 O ILE A 7 -6.551 -7.399 2.347 1.00 0.00 O ATOM 107 CB ILE A 7 -5.212 -9.905 4.138 1.00 0.00 C ATOM 108 CG1 ILE A 7 -5.404 -10.699 5.456 1.00 0.00 C ATOM 109 CG2 ILE A 7 -4.317 -8.662 4.368 1.00 0.00 C ATOM 110 CD1 ILE A 7 -6.152 -9.920 6.558 1.00 0.00 C ATOM 0 H ILE A 7 -6.808 -11.633 3.330 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.180 -8.995 4.187 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.695 -10.556 3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.952 -11.616 5.239 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.426 -10.995 5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.382 -8.969 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.104 -8.185 3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.834 -7.957 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.245 -10.545 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.595 -9.016 6.807 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.145 -9.647 6.201 1.00 0.00 H new ATOM 122 N TRP A 8 -5.911 -9.192 1.148 1.00 0.00 N ATOM 123 CA TRP A 8 -5.659 -8.415 -0.082 1.00 0.00 C ATOM 124 C TRP A 8 -6.862 -7.563 -0.507 1.00 0.00 C ATOM 125 O TRP A 8 -6.797 -6.341 -0.620 1.00 0.00 O ATOM 126 CB TRP A 8 -5.262 -9.357 -1.247 1.00 0.00 C ATOM 127 CG TRP A 8 -3.782 -9.741 -1.159 1.00 0.00 C ATOM 128 CD1 TRP A 8 -3.252 -11.039 -1.244 1.00 0.00 C ATOM 129 CD2 TRP A 8 -2.667 -8.889 -1.028 1.00 0.00 C ATOM 130 NE1 TRP A 8 -1.895 -11.018 -1.165 1.00 0.00 N ATOM 131 CE2 TRP A 8 -1.513 -9.717 -1.033 1.00 0.00 C ATOM 132 CE3 TRP A 8 -2.526 -7.502 -0.932 1.00 0.00 C ATOM 133 CZ2 TRP A 8 -0.251 -9.129 -0.919 1.00 0.00 C ATOM 134 CZ3 TRP A 8 -1.257 -6.931 -0.826 1.00 0.00 C ATOM 135 CH2 TRP A 8 -0.121 -7.744 -0.817 1.00 0.00 C ATOM 0 H TRP A 8 -5.728 -10.192 1.060 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.838 -7.735 0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -5.877 -10.256 -1.219 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.458 -8.866 -2.200 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -3.844 -11.935 -1.357 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.276 -11.828 -1.198 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.402 -6.870 -0.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.631 -9.752 -0.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.153 -5.859 -0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.859 -7.299 -0.731 1.00 0.00 H new ATOM 146 N GLU A 9 -7.991 -8.234 -0.731 1.00 0.00 N ATOM 147 CA GLU A 9 -9.214 -7.554 -1.199 1.00 0.00 C ATOM 148 C GLU A 9 -9.771 -6.547 -0.178 1.00 0.00 C ATOM 149 O GLU A 9 -10.345 -5.511 -0.514 1.00 0.00 O ATOM 150 CB GLU A 9 -10.280 -8.597 -1.599 1.00 0.00 C ATOM 151 CG GLU A 9 -9.766 -9.609 -2.657 1.00 0.00 C ATOM 152 CD GLU A 9 -9.105 -8.889 -3.846 1.00 0.00 C ATOM 153 OE1 GLU A 9 -9.800 -8.188 -4.580 1.00 0.00 O ATOM 154 OE2 GLU A 9 -7.894 -9.031 -4.019 1.00 0.00 O ATOM 0 H GLU A 9 -8.092 -9.240 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.942 -6.968 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.602 -9.140 -0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.156 -8.081 -1.992 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.048 -10.287 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.596 -10.218 -3.014 1.00 0.00 H new ATOM 161 N THR A 10 -9.599 -6.878 1.105 1.00 0.00 N ATOM 162 CA THR A 10 -9.997 -5.976 2.206 1.00 0.00 C ATOM 163 C THR A 10 -9.255 -4.631 2.142 1.00 0.00 C ATOM 164 O THR A 10 -9.835 -3.547 2.215 1.00 0.00 O ATOM 165 CB THR A 10 -9.747 -6.676 3.568 1.00 0.00 C ATOM 166 OG1 THR A 10 -10.641 -7.785 3.693 1.00 0.00 O ATOM 167 CG2 THR A 10 -9.937 -5.754 4.793 1.00 0.00 C ATOM 0 H THR A 10 -9.189 -7.760 1.413 1.00 0.00 H new ATOM 0 HA THR A 10 -11.060 -5.759 2.100 1.00 0.00 H new ATOM 0 HB THR A 10 -8.703 -6.989 3.565 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.340 -8.515 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 10 -9.744 -6.318 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.242 -4.917 4.730 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.959 -5.376 4.809 1.00 0.00 H new ATOM 175 N VAL A 11 -7.929 -4.721 2.011 1.00 0.00 N ATOM 176 CA VAL A 11 -7.072 -3.520 1.940 1.00 0.00 C ATOM 177 C VAL A 11 -7.203 -2.761 0.612 1.00 0.00 C ATOM 178 O VAL A 11 -7.015 -1.548 0.546 1.00 0.00 O ATOM 179 CB VAL A 11 -5.586 -3.857 2.232 1.00 0.00 C ATOM 180 CG1 VAL A 11 -5.421 -4.463 3.643 1.00 0.00 C ATOM 181 CG2 VAL A 11 -4.924 -4.753 1.164 1.00 0.00 C ATOM 0 H VAL A 11 -7.422 -5.604 1.952 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.436 -2.853 2.722 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.055 -2.906 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.370 -4.690 3.821 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.770 -3.749 4.389 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.007 -5.379 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.887 -4.943 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.461 -5.699 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.956 -4.251 0.197 1.00 0.00 H new ATOM 191 N CYS A 12 -7.539 -3.495 -0.458 1.00 0.00 N ATOM 192 CA CYS A 12 -7.603 -2.950 -1.834 1.00 0.00 C ATOM 193 C CYS A 12 -8.216 -1.543 -1.970 1.00 0.00 C ATOM 194 O CYS A 12 -7.583 -0.663 -2.551 1.00 0.00 O ATOM 195 CB CYS A 12 -8.345 -3.928 -2.771 1.00 0.00 C ATOM 196 SG CYS A 12 -7.317 -5.351 -3.199 1.00 0.00 S ATOM 0 H CYS A 12 -7.776 -4.486 -0.401 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.559 -2.840 -2.126 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.260 -4.272 -2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.642 -3.406 -3.681 1.00 0.00 H new ATOM 201 N PRO A 13 -9.432 -1.275 -1.468 1.00 0.00 N ATOM 202 CA PRO A 13 -10.057 0.060 -1.544 1.00 0.00 C ATOM 203 C PRO A 13 -9.235 1.163 -0.857 1.00 0.00 C ATOM 204 O PRO A 13 -9.069 2.278 -1.351 1.00 0.00 O ATOM 205 CB PRO A 13 -11.425 -0.129 -0.861 1.00 0.00 C ATOM 206 CG PRO A 13 -11.211 -1.326 0.054 1.00 0.00 C ATOM 207 CD PRO A 13 -10.312 -2.237 -0.789 1.00 0.00 C ATOM 0 HA PRO A 13 -10.134 0.400 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.717 0.758 -0.298 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.213 -0.318 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.733 -1.039 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.152 -1.812 0.312 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.749 -2.936 -0.171 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.888 -2.831 -1.499 1.00 0.00 H new ATOM 215 N THR A 14 -8.717 0.825 0.328 1.00 0.00 N ATOM 216 CA THR A 14 -7.893 1.761 1.119 1.00 0.00 C ATOM 217 C THR A 14 -6.615 2.170 0.363 1.00 0.00 C ATOM 218 O THR A 14 -6.285 3.343 0.190 1.00 0.00 O ATOM 219 CB THR A 14 -7.522 1.105 2.472 1.00 0.00 C ATOM 220 OG1 THR A 14 -8.713 0.645 3.121 1.00 0.00 O ATOM 221 CG2 THR A 14 -6.796 2.082 3.423 1.00 0.00 C ATOM 0 H THR A 14 -8.850 -0.087 0.765 1.00 0.00 H new ATOM 0 HA THR A 14 -8.477 2.665 1.294 1.00 0.00 H new ATOM 0 HB THR A 14 -6.846 0.279 2.253 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.479 0.228 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.559 1.572 4.357 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.875 2.429 2.955 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.442 2.936 3.630 1.00 0.00 H new ATOM 229 N VAL A 15 -5.885 1.146 -0.089 1.00 0.00 N ATOM 230 CA VAL A 15 -4.633 1.338 -0.848 1.00 0.00 C ATOM 231 C VAL A 15 -4.846 1.889 -2.269 1.00 0.00 C ATOM 232 O VAL A 15 -3.939 2.420 -2.908 1.00 0.00 O ATOM 233 CB VAL A 15 -3.823 0.016 -0.910 1.00 0.00 C ATOM 234 CG1 VAL A 15 -3.466 -0.504 0.499 1.00 0.00 C ATOM 235 CG2 VAL A 15 -4.520 -1.083 -1.741 1.00 0.00 C ATOM 0 H VAL A 15 -6.137 0.168 0.056 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.070 2.095 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.896 0.262 -1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.899 -1.431 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.865 0.241 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.381 -0.690 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.903 -1.982 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.491 -1.311 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.659 -0.733 -2.764 1.00 0.00 H new ATOM 245 N GLU A 16 -6.086 1.748 -2.757 1.00 0.00 N ATOM 246 CA GLU A 16 -6.449 2.066 -4.154 1.00 0.00 C ATOM 247 C GLU A 16 -5.883 3.405 -4.664 1.00 0.00 C ATOM 248 O GLU A 16 -5.141 3.412 -5.643 1.00 0.00 O ATOM 249 CB GLU A 16 -7.988 2.045 -4.304 1.00 0.00 C ATOM 250 CG GLU A 16 -8.474 2.319 -5.744 1.00 0.00 C ATOM 251 CD GLU A 16 -10.007 2.265 -5.794 1.00 0.00 C ATOM 252 OE1 GLU A 16 -10.651 3.120 -5.187 1.00 0.00 O ATOM 253 OE2 GLU A 16 -10.543 1.365 -6.440 1.00 0.00 O ATOM 0 H GLU A 16 -6.869 1.410 -2.198 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.990 1.297 -4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.363 1.073 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.420 2.790 -3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.124 3.297 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.052 1.581 -6.427 1.00 0.00 H new ATOM 260 N PRO A 17 -6.178 4.556 -4.039 1.00 0.00 N ATOM 261 CA PRO A 17 -5.699 5.869 -4.511 1.00 0.00 C ATOM 262 C PRO A 17 -4.169 5.947 -4.595 1.00 0.00 C ATOM 263 O PRO A 17 -3.573 6.349 -5.592 1.00 0.00 O ATOM 264 CB PRO A 17 -6.259 6.866 -3.480 1.00 0.00 C ATOM 265 CG PRO A 17 -6.465 6.019 -2.231 1.00 0.00 C ATOM 266 CD PRO A 17 -6.970 4.692 -2.807 1.00 0.00 C ATOM 0 HA PRO A 17 -6.035 6.077 -5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.564 7.686 -3.297 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.194 7.311 -3.820 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.539 5.891 -1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.190 6.468 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.800 3.862 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.040 4.721 -3.014 1.00 0.00 H new ATOM 274 N TRP A 18 -3.529 5.519 -3.501 1.00 0.00 N ATOM 275 CA TRP A 18 -2.059 5.574 -3.384 1.00 0.00 C ATOM 276 C TRP A 18 -1.338 4.740 -4.456 1.00 0.00 C ATOM 277 O TRP A 18 -0.227 5.048 -4.879 1.00 0.00 O ATOM 278 CB TRP A 18 -1.598 5.112 -1.984 1.00 0.00 C ATOM 279 CG TRP A 18 -2.354 5.877 -0.892 1.00 0.00 C ATOM 280 CD1 TRP A 18 -2.573 7.263 -0.819 1.00 0.00 C ATOM 281 CD2 TRP A 18 -2.970 5.341 0.252 1.00 0.00 C ATOM 282 NE1 TRP A 18 -3.292 7.586 0.290 1.00 0.00 N ATOM 283 CE2 TRP A 18 -3.549 6.424 0.961 1.00 0.00 C ATOM 284 CE3 TRP A 18 -3.067 4.044 0.752 1.00 0.00 C ATOM 285 CZ2 TRP A 18 -4.240 6.166 2.147 1.00 0.00 C ATOM 286 CZ3 TRP A 18 -3.756 3.801 1.940 1.00 0.00 C ATOM 287 CH2 TRP A 18 -4.347 4.861 2.634 1.00 0.00 C ATOM 0 H TRP A 18 -4.000 5.131 -2.684 1.00 0.00 H new ATOM 0 HA TRP A 18 -1.787 6.618 -3.538 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -1.770 4.042 -1.872 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.526 5.275 -1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -2.218 7.977 -1.547 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.585 8.522 0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.608 3.225 0.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.695 6.981 2.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.833 2.794 2.324 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.888 4.670 3.549 1.00 0.00 H new ATOM 298 N ALA A 19 -1.989 3.653 -4.887 1.00 0.00 N ATOM 299 CA ALA A 19 -1.404 2.726 -5.880 1.00 0.00 C ATOM 300 C ALA A 19 -0.944 3.453 -7.154 1.00 0.00 C ATOM 301 O ALA A 19 0.208 3.382 -7.582 1.00 0.00 O ATOM 302 CB ALA A 19 -2.439 1.641 -6.245 1.00 0.00 C ATOM 0 H ALA A 19 -2.921 3.388 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.523 2.270 -5.428 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.008 0.958 -6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.715 1.085 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.326 2.112 -6.668 1.00 0.00 H new ATOM 308 N LYS A 20 -1.893 4.169 -7.768 1.00 0.00 N ATOM 309 CA LYS A 20 -1.582 5.036 -8.923 1.00 0.00 C ATOM 310 C LYS A 20 -0.583 6.143 -8.558 1.00 0.00 C ATOM 311 O LYS A 20 0.295 6.529 -9.330 1.00 0.00 O ATOM 312 CB LYS A 20 -2.870 5.663 -9.503 1.00 0.00 C ATOM 313 CG LYS A 20 -3.677 4.704 -10.413 1.00 0.00 C ATOM 314 CD LYS A 20 -4.193 3.425 -9.720 1.00 0.00 C ATOM 315 CE LYS A 20 -5.173 3.709 -8.564 1.00 0.00 C ATOM 316 NZ LYS A 20 -6.377 4.382 -9.072 1.00 0.00 N ATOM 0 H LYS A 20 -2.875 4.170 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.120 4.402 -9.680 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.506 5.990 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.605 6.553 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.530 5.247 -10.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.050 4.414 -11.256 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.687 2.794 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.343 2.860 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.449 2.775 -8.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.689 4.332 -7.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.098 4.416 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.136 5.350 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.750 3.856 -9.888 1.00 0.00 H new ATOM 330 N LYS A 21 -0.759 6.675 -7.344 1.00 0.00 N ATOM 331 CA LYS A 21 0.144 7.708 -6.796 1.00 0.00 C ATOM 332 C LYS A 21 1.425 7.087 -6.198 1.00 0.00 C ATOM 333 O LYS A 21 1.948 7.479 -5.152 1.00 0.00 O ATOM 334 CB LYS A 21 -0.628 8.461 -5.686 1.00 0.00 C ATOM 335 CG LYS A 21 -1.986 9.035 -6.141 1.00 0.00 C ATOM 336 CD LYS A 21 -2.834 9.509 -4.943 1.00 0.00 C ATOM 337 CE LYS A 21 -4.248 9.952 -5.364 1.00 0.00 C ATOM 338 NZ LYS A 21 -5.017 10.331 -4.170 1.00 0.00 N ATOM 0 H LYS A 21 -1.518 6.411 -6.717 1.00 0.00 H new ATOM 0 HA LYS A 21 0.450 8.380 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.795 7.782 -4.850 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.007 9.276 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.819 9.870 -6.822 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.535 8.275 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.911 8.702 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.328 10.338 -4.449 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.187 10.794 -6.053 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.752 9.143 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.034 10.253 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.771 9.697 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.791 11.312 -3.908 1.00 0.00 H new ATOM 352 N CYS A 22 1.959 6.091 -6.911 1.00 0.00 N ATOM 353 CA CYS A 22 3.143 5.343 -6.450 1.00 0.00 C ATOM 354 C CYS A 22 3.786 4.578 -7.614 1.00 0.00 C ATOM 355 O CYS A 22 3.240 4.414 -8.707 1.00 0.00 O ATOM 356 CB CYS A 22 2.733 4.336 -5.347 1.00 0.00 C ATOM 357 SG CYS A 22 4.171 3.613 -4.522 1.00 0.00 S ATOM 0 H CYS A 22 1.593 5.780 -7.811 1.00 0.00 H new ATOM 0 HA CYS A 22 3.864 6.056 -6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.108 4.840 -4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.130 3.542 -5.787 1.00 0.00 H new ATOM 362 N SER A 23 4.994 4.080 -7.340 1.00 0.00 N ATOM 363 CA SER A 23 5.793 3.353 -8.344 1.00 0.00 C ATOM 364 C SER A 23 6.682 2.288 -7.682 1.00 0.00 C ATOM 365 O SER A 23 6.699 2.073 -6.468 1.00 0.00 O ATOM 366 CB SER A 23 6.685 4.370 -9.100 1.00 0.00 C ATOM 367 OG SER A 23 5.870 5.327 -9.787 1.00 0.00 O ATOM 0 H SER A 23 5.446 4.165 -6.430 1.00 0.00 H new ATOM 0 HA SER A 23 5.116 2.848 -9.033 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.344 4.880 -8.397 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.323 3.847 -9.812 1.00 0.00 H new ATOM 0 HG SER A 23 6.444 5.966 -10.260 1.00 0.00 H new ATOM 373 N GLY A 24 7.439 1.594 -8.536 1.00 0.00 N ATOM 374 CA GLY A 24 8.378 0.554 -8.080 1.00 0.00 C ATOM 375 C GLY A 24 7.745 -0.841 -8.001 1.00 0.00 C ATOM 376 O GLY A 24 6.576 -1.088 -8.301 1.00 0.00 O ATOM 0 H GLY A 24 7.423 1.730 -9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.230 0.521 -8.758 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.763 0.827 -7.098 1.00 0.00 H new ATOM 380 N ASP A 25 8.588 -1.775 -7.553 1.00 0.00 N ATOM 381 CA ASP A 25 8.256 -3.215 -7.548 1.00 0.00 C ATOM 382 C ASP A 25 7.039 -3.559 -6.684 1.00 0.00 C ATOM 383 O ASP A 25 6.071 -4.183 -7.115 1.00 0.00 O ATOM 384 CB ASP A 25 9.482 -4.005 -7.032 1.00 0.00 C ATOM 385 CG ASP A 25 10.707 -3.733 -7.919 1.00 0.00 C ATOM 386 OD1 ASP A 25 10.702 -4.145 -9.078 1.00 0.00 O ATOM 387 OD2 ASP A 25 11.648 -3.102 -7.442 1.00 0.00 O ATOM 0 H ASP A 25 9.515 -1.564 -7.185 1.00 0.00 H new ATOM 0 HA ASP A 25 8.001 -3.489 -8.572 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.700 -3.719 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.259 -5.072 -7.026 1.00 0.00 H new ATOM 392 N ILE A 26 7.112 -3.138 -5.418 1.00 0.00 N ATOM 393 CA ILE A 26 6.058 -3.435 -4.429 1.00 0.00 C ATOM 394 C ILE A 26 4.702 -2.846 -4.848 1.00 0.00 C ATOM 395 O ILE A 26 3.644 -3.459 -4.714 1.00 0.00 O ATOM 396 CB ILE A 26 6.469 -2.900 -3.035 1.00 0.00 C ATOM 397 CG1 ILE A 26 7.889 -3.363 -2.623 1.00 0.00 C ATOM 398 CG2 ILE A 26 5.439 -3.301 -1.953 1.00 0.00 C ATOM 399 CD1 ILE A 26 8.051 -4.894 -2.530 1.00 0.00 C ATOM 0 H ILE A 26 7.889 -2.590 -5.048 1.00 0.00 H new ATOM 0 HA ILE A 26 5.945 -4.518 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 26 6.487 -1.813 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.609 -2.976 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.137 -2.923 -1.657 1.00 0.00 H new ATOM 0 HG21 ILE A 26 5.756 -2.910 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.463 -2.888 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE A 26 5.371 -4.388 -1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 26 9.073 -5.135 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.358 -5.289 -1.787 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.837 -5.342 -3.500 1.00 0.00 H new ATOM 411 N ALA A 27 4.750 -1.610 -5.357 1.00 0.00 N ATOM 412 CA ALA A 27 3.547 -0.935 -5.883 1.00 0.00 C ATOM 413 C ALA A 27 2.835 -1.789 -6.943 1.00 0.00 C ATOM 414 O ALA A 27 1.623 -2.003 -6.931 1.00 0.00 O ATOM 415 CB ALA A 27 3.943 0.423 -6.500 1.00 0.00 C ATOM 0 H ALA A 27 5.603 -1.054 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 27 2.858 -0.784 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.054 0.920 -6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.404 1.049 -5.736 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.651 0.261 -7.313 1.00 0.00 H new ATOM 421 N THR A 28 3.644 -2.288 -7.884 1.00 0.00 N ATOM 422 CA THR A 28 3.155 -3.160 -8.969 1.00 0.00 C ATOM 423 C THR A 28 2.526 -4.459 -8.434 1.00 0.00 C ATOM 424 O THR A 28 1.503 -4.946 -8.911 1.00 0.00 O ATOM 425 CB THR A 28 4.323 -3.493 -9.928 1.00 0.00 C ATOM 426 OG1 THR A 28 4.874 -2.275 -10.440 1.00 0.00 O ATOM 427 CG2 THR A 28 3.894 -4.377 -11.119 1.00 0.00 C ATOM 0 H THR A 28 4.647 -2.104 -7.920 1.00 0.00 H new ATOM 0 HA THR A 28 2.373 -2.620 -9.503 1.00 0.00 H new ATOM 0 HB THR A 28 5.058 -4.053 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.439 -1.859 -9.756 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.757 -4.575 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.493 -5.320 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.128 -3.861 -11.698 1.00 0.00 H new ATOM 435 N TYR A 29 3.181 -5.033 -7.420 1.00 0.00 N ATOM 436 CA TYR A 29 2.726 -6.303 -6.822 1.00 0.00 C ATOM 437 C TYR A 29 1.323 -6.170 -6.212 1.00 0.00 C ATOM 438 O TYR A 29 0.375 -6.865 -6.576 1.00 0.00 O ATOM 439 CB TYR A 29 3.748 -6.779 -5.761 1.00 0.00 C ATOM 440 CG TYR A 29 3.378 -8.094 -5.106 1.00 0.00 C ATOM 441 CD1 TYR A 29 2.322 -8.158 -4.191 1.00 0.00 C ATOM 442 CD2 TYR A 29 4.069 -9.262 -5.447 1.00 0.00 C ATOM 443 CE1 TYR A 29 1.949 -9.382 -3.636 1.00 0.00 C ATOM 444 CE2 TYR A 29 3.697 -10.486 -4.887 1.00 0.00 C ATOM 445 CZ TYR A 29 2.633 -10.547 -3.984 1.00 0.00 C ATOM 446 OH TYR A 29 2.252 -11.756 -3.439 1.00 0.00 O ATOM 0 H TYR A 29 4.023 -4.645 -6.995 1.00 0.00 H new ATOM 0 HA TYR A 29 2.662 -7.050 -7.613 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.726 -6.880 -6.231 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.842 -6.013 -4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 29 1.794 -7.258 -3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.892 -9.217 -6.145 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.129 -9.428 -2.935 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.232 -11.386 -5.152 1.00 0.00 H new ATOM 0 HH TYR A 29 2.830 -12.468 -3.786 1.00 0.00 H new ATOM 456 N ILE A 30 1.207 -5.235 -5.264 1.00 0.00 N ATOM 457 CA ILE A 30 -0.061 -4.966 -4.552 1.00 0.00 C ATOM 458 C ILE A 30 -1.208 -4.669 -5.530 1.00 0.00 C ATOM 459 O ILE A 30 -2.335 -5.152 -5.409 1.00 0.00 O ATOM 460 CB ILE A 30 0.149 -3.775 -3.578 1.00 0.00 C ATOM 461 CG1 ILE A 30 1.221 -4.113 -2.513 1.00 0.00 C ATOM 462 CG2 ILE A 30 -1.179 -3.338 -2.911 1.00 0.00 C ATOM 463 CD1 ILE A 30 1.615 -2.904 -1.641 1.00 0.00 C ATOM 0 H ILE A 30 1.981 -4.642 -4.965 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.343 -5.857 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 30 0.509 -2.932 -4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.846 -4.909 -1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.110 -4.498 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.990 -2.503 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.888 -3.031 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.595 -4.173 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.369 -3.209 -0.916 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.019 -2.115 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.735 -2.533 -1.115 1.00 0.00 H new ATOM 475 N LYS A 31 -0.884 -3.830 -6.519 1.00 0.00 N ATOM 476 CA LYS A 31 -1.811 -3.499 -7.618 1.00 0.00 C ATOM 477 C LYS A 31 -2.388 -4.767 -8.259 1.00 0.00 C ATOM 478 O LYS A 31 -3.593 -4.933 -8.442 1.00 0.00 O ATOM 479 CB LYS A 31 -1.041 -2.638 -8.652 1.00 0.00 C ATOM 480 CG LYS A 31 -1.815 -2.217 -9.928 1.00 0.00 C ATOM 481 CD LYS A 31 -2.090 -3.346 -10.950 1.00 0.00 C ATOM 482 CE LYS A 31 -0.813 -4.083 -11.408 1.00 0.00 C ATOM 483 NZ LYS A 31 -1.180 -5.181 -12.313 1.00 0.00 N ATOM 0 H LYS A 31 0.020 -3.362 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.661 -2.936 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.695 -1.734 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.153 -3.191 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.769 -1.785 -9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.253 -1.429 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.778 -4.067 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.589 -2.923 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.141 -3.389 -11.914 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.276 -4.474 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.425 -5.896 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.068 -5.615 -11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.307 -4.809 -13.276 1.00 0.00 H new ATOM 497 N ARG A 32 -1.480 -5.690 -8.589 1.00 0.00 N ATOM 498 CA ARG A 32 -1.851 -6.968 -9.226 1.00 0.00 C ATOM 499 C ARG A 32 -2.817 -7.799 -8.368 1.00 0.00 C ATOM 500 O ARG A 32 -3.749 -8.434 -8.859 1.00 0.00 O ATOM 501 CB ARG A 32 -0.576 -7.784 -9.533 1.00 0.00 C ATOM 502 CG ARG A 32 -0.870 -9.064 -10.343 1.00 0.00 C ATOM 503 CD ARG A 32 0.406 -9.859 -10.675 1.00 0.00 C ATOM 504 NE ARG A 32 0.044 -11.040 -11.473 1.00 0.00 N ATOM 505 CZ ARG A 32 0.962 -11.908 -11.907 1.00 0.00 C ATOM 506 NH1 ARG A 32 2.255 -11.743 -11.632 1.00 0.00 N ATOM 507 NH2 ARG A 32 0.575 -12.957 -12.623 1.00 0.00 N ATOM 0 H ARG A 32 -0.479 -5.580 -8.427 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.375 -6.731 -10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.125 -7.160 -10.088 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.089 -8.055 -8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.553 -9.699 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.378 -8.795 -11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.106 -9.232 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.908 -10.165 -9.757 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.937 -11.201 -11.702 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.561 -10.942 -11.080 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.939 -12.418 -11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.413 -13.093 -12.836 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.266 -13.627 -12.960 1.00 0.00 H new ATOM 521 N GLU A 33 -2.574 -7.802 -7.052 1.00 0.00 N ATOM 522 CA GLU A 33 -3.420 -8.562 -6.107 1.00 0.00 C ATOM 523 C GLU A 33 -4.902 -8.186 -6.258 1.00 0.00 C ATOM 524 O GLU A 33 -5.796 -9.012 -6.430 1.00 0.00 O ATOM 525 CB GLU A 33 -2.991 -8.293 -4.643 1.00 0.00 C ATOM 526 CG GLU A 33 -1.474 -8.444 -4.388 1.00 0.00 C ATOM 527 CD GLU A 33 -0.971 -9.819 -4.847 1.00 0.00 C ATOM 528 OE1 GLU A 33 -1.288 -10.813 -4.198 1.00 0.00 O ATOM 529 OE2 GLU A 33 -0.269 -9.876 -5.858 1.00 0.00 O ATOM 0 H GLU A 33 -1.806 -7.293 -6.614 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.289 -9.618 -6.342 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.295 -7.283 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.528 -8.978 -3.987 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.933 -7.660 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.266 -8.313 -3.326 1.00 0.00 H new ATOM 536 N CYS A 34 -5.141 -6.874 -6.202 1.00 0.00 N ATOM 537 CA CYS A 34 -6.499 -6.310 -6.311 1.00 0.00 C ATOM 538 C CYS A 34 -7.129 -6.515 -7.695 1.00 0.00 C ATOM 539 O CYS A 34 -8.252 -6.992 -7.857 1.00 0.00 O ATOM 540 CB CYS A 34 -6.416 -4.804 -5.991 1.00 0.00 C ATOM 541 SG CYS A 34 -5.833 -4.540 -4.301 1.00 0.00 S ATOM 0 H CYS A 34 -4.410 -6.173 -6.081 1.00 0.00 H new ATOM 0 HA CYS A 34 -7.142 -6.835 -5.604 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.742 -4.315 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.397 -4.346 -6.118 1.00 0.00 H new ATOM 546 N GLY A 35 -6.362 -6.127 -8.718 1.00 0.00 N ATOM 547 CA GLY A 35 -6.841 -6.144 -10.113 1.00 0.00 C ATOM 548 C GLY A 35 -7.117 -7.559 -10.630 1.00 0.00 C ATOM 549 O GLY A 35 -8.236 -7.940 -10.973 1.00 0.00 O ATOM 0 H GLY A 35 -5.403 -5.796 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.753 -5.551 -10.186 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.099 -5.667 -10.753 1.00 0.00 H new ATOM 553 N LYS A 36 -6.041 -8.349 -10.678 1.00 0.00 N ATOM 554 CA LYS A 36 -6.110 -9.727 -11.198 1.00 0.00 C ATOM 555 C LYS A 36 -7.064 -10.605 -10.373 1.00 0.00 C ATOM 556 O LYS A 36 -8.084 -11.104 -10.849 1.00 0.00 O ATOM 557 CB LYS A 36 -4.694 -10.347 -11.204 1.00 0.00 C ATOM 558 CG LYS A 36 -4.657 -11.754 -11.841 1.00 0.00 C ATOM 559 CD LYS A 36 -3.267 -12.423 -11.775 1.00 0.00 C ATOM 560 CE LYS A 36 -2.791 -12.673 -10.329 1.00 0.00 C ATOM 561 NZ LYS A 36 -1.516 -13.402 -10.348 1.00 0.00 N ATOM 0 H LYS A 36 -5.113 -8.064 -10.366 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.502 -9.684 -12.214 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.017 -9.689 -11.749 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.325 -10.407 -10.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.383 -12.392 -11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.967 -11.681 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.300 -13.372 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.541 -11.792 -12.288 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.671 -11.724 -9.806 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.541 -13.246 -9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.576 -14.223 -9.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.316 -13.727 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.752 -12.773 -10.029 1.00 0.00 H new ATOM 666 N VAL B 5 -5.522 -6.906 10.251 1.00 0.00 N ATOM 667 CA VAL B 5 -5.267 -6.510 8.851 1.00 0.00 C ATOM 668 C VAL B 5 -4.106 -5.512 8.729 1.00 0.00 C ATOM 669 O VAL B 5 -3.248 -5.625 7.855 1.00 0.00 O ATOM 670 CB VAL B 5 -6.549 -5.939 8.188 1.00 0.00 C ATOM 671 CG1 VAL B 5 -6.324 -5.582 6.702 1.00 0.00 C ATOM 672 CG2 VAL B 5 -7.753 -6.894 8.338 1.00 0.00 C ATOM 0 HA VAL B 5 -4.974 -7.415 8.318 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.783 -5.018 8.722 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -7.247 -5.186 6.279 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -5.538 -4.831 6.623 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.028 -6.476 6.154 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.628 -6.454 7.860 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.522 -7.848 7.865 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -7.960 -7.055 9.396 1.00 0.00 H new ATOM 682 N LYS B 6 -4.084 -4.519 9.631 1.00 0.00 N ATOM 683 CA LYS B 6 -2.997 -3.516 9.655 1.00 0.00 C ATOM 684 C LYS B 6 -1.618 -4.190 9.706 1.00 0.00 C ATOM 685 O LYS B 6 -0.741 -3.975 8.874 1.00 0.00 O ATOM 686 CB LYS B 6 -3.131 -2.584 10.886 1.00 0.00 C ATOM 687 CG LYS B 6 -2.020 -1.505 10.907 1.00 0.00 C ATOM 688 CD LYS B 6 -1.910 -0.659 12.197 1.00 0.00 C ATOM 689 CE LYS B 6 -3.006 0.411 12.381 1.00 0.00 C ATOM 690 NZ LYS B 6 -4.289 -0.224 12.704 1.00 0.00 N ATOM 0 H LYS B 6 -4.797 -4.385 10.348 1.00 0.00 H new ATOM 0 HA LYS B 6 -3.084 -2.933 8.738 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -4.108 -2.101 10.873 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -3.081 -3.177 11.799 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -1.062 -1.997 10.738 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -2.184 -0.829 10.068 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -1.934 -1.331 13.055 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -0.938 -0.165 12.206 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -2.722 1.099 13.178 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -3.104 1.001 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -4.796 0.354 13.404 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -4.863 -0.305 11.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -4.118 -1.172 13.097 1.00 0.00 H new ATOM 704 N LEU B 7 -1.450 -5.038 10.724 1.00 0.00 N ATOM 705 CA LEU B 7 -0.177 -5.749 10.960 1.00 0.00 C ATOM 706 C LEU B 7 0.330 -6.492 9.716 1.00 0.00 C ATOM 707 O LEU B 7 1.516 -6.516 9.388 1.00 0.00 O ATOM 708 CB LEU B 7 -0.362 -6.760 12.113 1.00 0.00 C ATOM 709 CG LEU B 7 -0.756 -6.105 13.457 1.00 0.00 C ATOM 710 CD1 LEU B 7 -1.073 -7.180 14.519 1.00 0.00 C ATOM 711 CD2 LEU B 7 0.330 -5.136 13.970 1.00 0.00 C ATOM 0 H LEU B 7 -2.179 -5.254 11.404 1.00 0.00 H new ATOM 0 HA LEU B 7 0.569 -4.996 11.216 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.129 -7.482 11.832 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.565 -7.317 12.248 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.656 -5.517 13.277 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.348 -6.696 15.456 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.901 -7.799 14.174 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.194 -7.805 14.678 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.010 -4.699 14.916 1.00 0.00 H new ATOM 0 HD22 LEU B 7 1.263 -5.680 14.118 1.00 0.00 H new ATOM 0 HD23 LEU B 7 0.485 -4.343 13.238 1.00 0.00 H new ATOM 723 N THR B 8 -0.618 -7.119 9.016 1.00 0.00 N ATOM 724 CA THR B 8 -0.305 -7.916 7.817 1.00 0.00 C ATOM 725 C THR B 8 0.191 -7.046 6.647 1.00 0.00 C ATOM 726 O THR B 8 1.259 -7.250 6.070 1.00 0.00 O ATOM 727 CB THR B 8 -1.563 -8.714 7.392 1.00 0.00 C ATOM 728 OG1 THR B 8 -2.038 -9.483 8.501 1.00 0.00 O ATOM 729 CG2 THR B 8 -1.280 -9.674 6.217 1.00 0.00 C ATOM 0 H THR B 8 -1.609 -7.093 9.255 1.00 0.00 H new ATOM 0 HA THR B 8 0.506 -8.598 8.071 1.00 0.00 H new ATOM 0 HB THR B 8 -2.309 -7.989 7.068 1.00 0.00 H new ATOM 0 HG1 THR B 8 -2.835 -9.986 8.233 1.00 0.00 H new ATOM 0 HG21 THR B 8 -2.193 -10.210 5.957 1.00 0.00 H new ATOM 0 HG22 THR B 8 -0.937 -9.102 5.355 1.00 0.00 H new ATOM 0 HG23 THR B 8 -0.510 -10.389 6.508 1.00 0.00 H new ATOM 737 N ILE B 9 -0.623 -6.043 6.301 1.00 0.00 N ATOM 738 CA ILE B 9 -0.396 -5.248 5.077 1.00 0.00 C ATOM 739 C ILE B 9 0.720 -4.198 5.232 1.00 0.00 C ATOM 740 O ILE B 9 1.640 -4.095 4.422 1.00 0.00 O ATOM 741 CB ILE B 9 -1.734 -4.614 4.607 1.00 0.00 C ATOM 742 CG1 ILE B 9 -1.646 -4.071 3.161 1.00 0.00 C ATOM 743 CG2 ILE B 9 -2.257 -3.499 5.547 1.00 0.00 C ATOM 744 CD1 ILE B 9 -1.321 -5.154 2.110 1.00 0.00 C ATOM 0 H ILE B 9 -1.440 -5.760 6.842 1.00 0.00 H new ATOM 0 HA ILE B 9 -0.038 -5.928 4.304 1.00 0.00 H new ATOM 0 HB ILE B 9 -2.452 -5.433 4.638 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -2.593 -3.598 2.902 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -0.881 -3.296 3.119 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -3.194 -3.103 5.156 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -2.425 -3.911 6.542 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -1.521 -2.697 5.606 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -1.276 -4.699 1.121 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -0.359 -5.611 2.344 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -2.098 -5.918 2.123 1.00 0.00 H new ATOM 756 N CYS B 10 0.630 -3.424 6.320 1.00 0.00 N ATOM 757 CA CYS B 10 1.547 -2.301 6.622 1.00 0.00 C ATOM 758 C CYS B 10 3.037 -2.520 6.303 1.00 0.00 C ATOM 759 O CYS B 10 3.637 -1.664 5.654 1.00 0.00 O ATOM 760 CB CYS B 10 1.390 -1.883 8.099 1.00 0.00 C ATOM 761 SG CYS B 10 -0.115 -0.914 8.359 1.00 0.00 S ATOM 0 H CYS B 10 -0.090 -3.556 7.030 1.00 0.00 H new ATOM 0 HA CYS B 10 1.237 -1.511 5.937 1.00 0.00 H new ATOM 0 HB2 CYS B 10 1.364 -2.772 8.729 1.00 0.00 H new ATOM 0 HB3 CYS B 10 2.257 -1.299 8.407 1.00 0.00 H new ATOM 766 N PRO B 11 3.691 -3.611 6.731 1.00 0.00 N ATOM 767 CA PRO B 11 5.117 -3.860 6.431 1.00 0.00 C ATOM 768 C PRO B 11 5.426 -3.816 4.927 1.00 0.00 C ATOM 769 O PRO B 11 6.395 -3.218 4.457 1.00 0.00 O ATOM 770 CB PRO B 11 5.397 -5.247 7.038 1.00 0.00 C ATOM 771 CG PRO B 11 4.020 -5.887 7.145 1.00 0.00 C ATOM 772 CD PRO B 11 3.124 -4.705 7.534 1.00 0.00 C ATOM 0 HA PRO B 11 5.758 -3.085 6.852 1.00 0.00 H new ATOM 0 HB2 PRO B 11 6.062 -5.834 6.404 1.00 0.00 H new ATOM 0 HB3 PRO B 11 5.877 -5.166 8.014 1.00 0.00 H new ATOM 0 HG2 PRO B 11 3.709 -6.337 6.202 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.998 -6.676 7.897 1.00 0.00 H new ATOM 0 HD2 PRO B 11 2.078 -4.889 7.291 1.00 0.00 H new ATOM 0 HD3 PRO B 11 3.170 -4.493 8.602 1.00 0.00 H new ATOM 780 N THR B 12 4.559 -4.483 4.159 1.00 0.00 N ATOM 781 CA THR B 12 4.631 -4.445 2.685 1.00 0.00 C ATOM 782 C THR B 12 4.462 -3.008 2.166 1.00 0.00 C ATOM 783 O THR B 12 5.212 -2.505 1.328 1.00 0.00 O ATOM 784 CB THR B 12 3.529 -5.353 2.084 1.00 0.00 C ATOM 785 OG1 THR B 12 3.620 -6.662 2.658 1.00 0.00 O ATOM 786 CG2 THR B 12 3.652 -5.485 0.550 1.00 0.00 C ATOM 0 H THR B 12 3.799 -5.056 4.527 1.00 0.00 H new ATOM 0 HA THR B 12 5.611 -4.809 2.377 1.00 0.00 H new ATOM 0 HB THR B 12 2.570 -4.889 2.313 1.00 0.00 H new ATOM 0 HG1 THR B 12 2.921 -7.235 2.278 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.858 -6.131 0.176 1.00 0.00 H new ATOM 0 HG22 THR B 12 3.565 -4.500 0.092 1.00 0.00 H new ATOM 0 HG23 THR B 12 4.620 -5.918 0.299 1.00 0.00 H new ATOM 794 N LEU B 13 3.438 -2.336 2.704 1.00 0.00 N ATOM 795 CA LEU B 13 3.106 -0.951 2.313 1.00 0.00 C ATOM 796 C LEU B 13 4.275 0.025 2.483 1.00 0.00 C ATOM 797 O LEU B 13 4.442 0.969 1.718 1.00 0.00 O ATOM 798 CB LEU B 13 1.895 -0.422 3.116 1.00 0.00 C ATOM 799 CG LEU B 13 0.587 -1.214 2.908 1.00 0.00 C ATOM 800 CD1 LEU B 13 -0.554 -0.635 3.771 1.00 0.00 C ATOM 801 CD2 LEU B 13 0.169 -1.275 1.423 1.00 0.00 C ATOM 0 H LEU B 13 2.819 -2.726 3.415 1.00 0.00 H new ATOM 0 HA LEU B 13 2.863 -1.000 1.251 1.00 0.00 H new ATOM 0 HB2 LEU B 13 2.146 -0.434 4.177 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.721 0.619 2.842 1.00 0.00 H new ATOM 0 HG LEU B 13 0.783 -2.237 3.231 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -1.464 -1.212 3.605 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.277 -0.689 4.824 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.728 0.405 3.494 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.757 -1.843 1.329 1.00 0.00 H new ATOM 0 HD22 LEU B 13 0.015 -0.264 1.047 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.954 -1.762 0.844 1.00 0.00 H new ATOM 813 N LYS B 14 5.079 -0.195 3.530 1.00 0.00 N ATOM 814 CA LYS B 14 6.265 0.647 3.794 1.00 0.00 C ATOM 815 C LYS B 14 7.279 0.605 2.647 1.00 0.00 C ATOM 816 O LYS B 14 7.777 1.622 2.163 1.00 0.00 O ATOM 817 CB LYS B 14 6.960 0.192 5.097 1.00 0.00 C ATOM 818 CG LYS B 14 6.152 0.514 6.368 1.00 0.00 C ATOM 819 CD LYS B 14 5.996 2.032 6.597 1.00 0.00 C ATOM 820 CE LYS B 14 5.228 2.361 7.888 1.00 0.00 C ATOM 821 NZ LYS B 14 3.852 1.849 7.804 1.00 0.00 N ATOM 0 H LYS B 14 4.936 -0.943 4.208 1.00 0.00 H new ATOM 0 HA LYS B 14 5.909 1.673 3.891 1.00 0.00 H new ATOM 0 HB2 LYS B 14 7.135 -0.883 5.050 1.00 0.00 H new ATOM 0 HB3 LYS B 14 7.936 0.672 5.165 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.165 0.057 6.293 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.645 0.068 7.232 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.983 2.492 6.639 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.475 2.472 5.747 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.737 1.919 8.745 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.214 3.439 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.374 1.986 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.335 2.363 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.872 0.835 7.573 1.00 0.00 H new ATOM 835 N SER B 15 7.587 -0.622 2.219 1.00 0.00 N ATOM 836 CA SER B 15 8.529 -0.847 1.105 1.00 0.00 C ATOM 837 C SER B 15 8.114 -0.063 -0.150 1.00 0.00 C ATOM 838 O SER B 15 8.896 0.626 -0.805 1.00 0.00 O ATOM 839 CB SER B 15 8.586 -2.358 0.789 1.00 0.00 C ATOM 840 OG SER B 15 8.964 -3.086 1.960 1.00 0.00 O ATOM 0 H SER B 15 7.202 -1.477 2.622 1.00 0.00 H new ATOM 0 HA SER B 15 9.514 -0.490 1.406 1.00 0.00 H new ATOM 0 HB2 SER B 15 7.614 -2.701 0.435 1.00 0.00 H new ATOM 0 HB3 SER B 15 9.301 -2.544 -0.012 1.00 0.00 H new ATOM 0 HG SER B 15 8.997 -4.043 1.754 1.00 0.00 H new ATOM 846 N MET B 16 6.824 -0.188 -0.469 1.00 0.00 N ATOM 847 CA MET B 16 6.192 0.589 -1.553 1.00 0.00 C ATOM 848 C MET B 16 6.277 2.106 -1.312 1.00 0.00 C ATOM 849 O MET B 16 6.645 2.904 -2.174 1.00 0.00 O ATOM 850 CB MET B 16 4.707 0.166 -1.633 1.00 0.00 C ATOM 851 CG MET B 16 3.907 0.917 -2.716 1.00 0.00 C ATOM 852 SD MET B 16 2.159 0.445 -2.761 1.00 0.00 S ATOM 853 CE MET B 16 1.613 1.023 -1.133 1.00 0.00 C ATOM 0 H MET B 16 6.186 -0.824 0.009 1.00 0.00 H new ATOM 0 HA MET B 16 6.721 0.383 -2.484 1.00 0.00 H new ATOM 0 HB2 MET B 16 4.653 -0.905 -1.831 1.00 0.00 H new ATOM 0 HB3 MET B 16 4.237 0.335 -0.664 1.00 0.00 H new ATOM 0 HG2 MET B 16 3.983 1.990 -2.538 1.00 0.00 H new ATOM 0 HG3 MET B 16 4.355 0.723 -3.691 1.00 0.00 H new ATOM 0 HE1 MET B 16 0.549 1.256 -1.168 1.00 0.00 H new ATOM 0 HE2 MET B 16 1.789 0.243 -0.392 1.00 0.00 H new ATOM 0 HE3 MET B 16 2.172 1.918 -0.858 1.00 0.00 H new ATOM 863 N ALA B 17 5.940 2.482 -0.074 1.00 0.00 N ATOM 864 CA ALA B 17 5.697 3.884 0.321 1.00 0.00 C ATOM 865 C ALA B 17 6.851 4.825 -0.033 1.00 0.00 C ATOM 866 O ALA B 17 6.684 5.889 -0.623 1.00 0.00 O ATOM 867 CB ALA B 17 5.439 3.955 1.842 1.00 0.00 C ATOM 0 H ALA B 17 5.826 1.820 0.693 1.00 0.00 H new ATOM 0 HA ALA B 17 4.826 4.219 -0.242 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.260 4.990 2.133 1.00 0.00 H new ATOM 0 HB2 ALA B 17 4.566 3.352 2.092 1.00 0.00 H new ATOM 0 HB3 ALA B 17 6.309 3.573 2.377 1.00 0.00 H new ATOM 873 N LYS B 18 8.057 4.396 0.350 1.00 0.00 N ATOM 874 CA LYS B 18 9.275 5.193 0.116 1.00 0.00 C ATOM 875 C LYS B 18 9.450 5.528 -1.371 1.00 0.00 C ATOM 876 O LYS B 18 9.656 6.669 -1.783 1.00 0.00 O ATOM 877 CB LYS B 18 10.513 4.421 0.630 1.00 0.00 C ATOM 878 CG LYS B 18 10.364 3.908 2.082 1.00 0.00 C ATOM 879 CD LYS B 18 10.015 5.013 3.103 1.00 0.00 C ATOM 880 CE LYS B 18 9.734 4.452 4.514 1.00 0.00 C ATOM 881 NZ LYS B 18 8.551 3.577 4.476 1.00 0.00 N ATOM 0 H LYS B 18 8.221 3.506 0.821 1.00 0.00 H new ATOM 0 HA LYS B 18 9.174 6.131 0.662 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.701 3.573 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.386 5.071 0.571 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.587 3.144 2.109 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.295 3.428 2.385 1.00 0.00 H new ATOM 0 HD2 LYS B 18 10.838 5.726 3.157 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.140 5.562 2.754 1.00 0.00 H new ATOM 0 HE2 LYS B 18 10.599 3.894 4.872 1.00 0.00 H new ATOM 0 HE3 LYS B 18 9.570 5.271 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 7.884 3.863 5.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 8.089 3.658 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 8.843 2.591 4.633 1.00 0.00 H new ATOM 895 N LYS B 19 9.351 4.478 -2.194 1.00 0.00 N ATOM 896 CA LYS B 19 9.485 4.617 -3.655 1.00 0.00 C ATOM 897 C LYS B 19 8.163 4.984 -4.366 1.00 0.00 C ATOM 898 O LYS B 19 7.906 4.635 -5.519 1.00 0.00 O ATOM 899 CB LYS B 19 10.057 3.293 -4.218 1.00 0.00 C ATOM 900 CG LYS B 19 9.160 2.069 -3.932 1.00 0.00 C ATOM 901 CD LYS B 19 9.767 0.756 -4.469 1.00 0.00 C ATOM 902 CE LYS B 19 8.852 -0.465 -4.236 1.00 0.00 C ATOM 903 NZ LYS B 19 7.550 -0.251 -4.886 1.00 0.00 N ATOM 0 H LYS B 19 9.179 3.524 -1.878 1.00 0.00 H new ATOM 0 HA LYS B 19 10.160 5.450 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.191 3.392 -5.295 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.044 3.120 -3.788 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.003 1.980 -2.857 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.181 2.226 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.961 0.861 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS B 19 10.728 0.581 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS B 19 9.323 -1.364 -4.634 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.712 -0.626 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.808 -0.180 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.579 0.629 -5.439 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.342 -1.050 -5.518 1.00 0.00 H new ATOM 917 N CYS B 20 7.309 5.727 -3.652 1.00 0.00 N ATOM 918 CA CYS B 20 6.070 6.263 -4.256 1.00 0.00 C ATOM 919 C CYS B 20 6.250 7.687 -4.797 1.00 0.00 C ATOM 920 O CYS B 20 7.255 8.376 -4.621 1.00 0.00 O ATOM 921 CB CYS B 20 4.908 6.270 -3.238 1.00 0.00 C ATOM 922 SG CYS B 20 4.322 4.622 -2.779 1.00 0.00 S ATOM 0 H CYS B 20 7.444 5.971 -2.671 1.00 0.00 H new ATOM 0 HA CYS B 20 5.834 5.599 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS B 20 5.230 6.793 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS B 20 4.076 6.837 -3.656 1.00 0.00 H new ATOM 927 N GLU B 21 5.193 8.119 -5.485 1.00 0.00 N ATOM 928 CA GLU B 21 5.087 9.486 -6.020 1.00 0.00 C ATOM 929 C GLU B 21 4.570 10.423 -4.921 1.00 0.00 C ATOM 930 O GLU B 21 3.898 10.017 -3.974 1.00 0.00 O ATOM 931 CB GLU B 21 4.055 9.446 -7.168 1.00 0.00 C ATOM 932 CG GLU B 21 4.378 8.363 -8.236 1.00 0.00 C ATOM 933 CD GLU B 21 3.232 8.146 -9.242 1.00 0.00 C ATOM 934 OE1 GLU B 21 2.269 8.912 -9.262 1.00 0.00 O ATOM 935 OE2 GLU B 21 3.326 7.191 -10.015 1.00 0.00 O ATOM 0 H GLU B 21 4.383 7.534 -5.690 1.00 0.00 H new ATOM 0 HA GLU B 21 6.056 9.843 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU B 21 3.065 9.256 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.017 10.423 -7.649 1.00 0.00 H new ATOM 0 HG2 GLU B 21 5.279 8.652 -8.777 1.00 0.00 H new ATOM 0 HG3 GLU B 21 4.597 7.420 -7.734 1.00 0.00 H new ATOM 942 N GLY B 22 4.886 11.715 -5.064 1.00 0.00 N ATOM 943 CA GLY B 22 4.408 12.739 -4.109 1.00 0.00 C ATOM 944 C GLY B 22 4.789 12.432 -2.652 1.00 0.00 C ATOM 945 O GLY B 22 5.664 11.625 -2.330 1.00 0.00 O ATOM 0 H GLY B 22 5.464 12.080 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY B 22 4.820 13.708 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY B 22 3.324 12.820 -4.185 1.00 0.00 H new ATOM 949 N SER B 23 4.107 13.135 -1.743 1.00 0.00 N ATOM 950 CA SER B 23 4.247 12.871 -0.295 1.00 0.00 C ATOM 951 C SER B 23 3.289 11.762 0.186 1.00 0.00 C ATOM 952 O SER B 23 2.749 11.760 1.294 1.00 0.00 O ATOM 953 CB SER B 23 3.980 14.182 0.480 1.00 0.00 C ATOM 954 OG SER B 23 4.932 15.176 0.093 1.00 0.00 O ATOM 0 H SER B 23 3.456 13.886 -1.974 1.00 0.00 H new ATOM 0 HA SER B 23 5.261 12.520 -0.105 1.00 0.00 H new ATOM 0 HB2 SER B 23 2.969 14.535 0.278 1.00 0.00 H new ATOM 0 HB3 SER B 23 4.045 14.001 1.553 1.00 0.00 H new ATOM 0 HG SER B 23 4.758 16.005 0.585 1.00 0.00 H new ATOM 960 N ILE B 24 3.101 10.768 -0.688 1.00 0.00 N ATOM 961 CA ILE B 24 2.255 9.597 -0.385 1.00 0.00 C ATOM 962 C ILE B 24 2.916 8.681 0.654 1.00 0.00 C ATOM 963 O ILE B 24 2.266 8.033 1.473 1.00 0.00 O ATOM 964 CB ILE B 24 1.943 8.827 -1.695 1.00 0.00 C ATOM 965 CG1 ILE B 24 1.195 9.720 -2.718 1.00 0.00 C ATOM 966 CG2 ILE B 24 1.174 7.507 -1.451 1.00 0.00 C ATOM 967 CD1 ILE B 24 -0.174 10.239 -2.233 1.00 0.00 C ATOM 0 H ILE B 24 3.523 10.746 -1.616 1.00 0.00 H new ATOM 0 HA ILE B 24 1.319 9.947 0.050 1.00 0.00 H new ATOM 0 HB ILE B 24 2.909 8.555 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE B 24 1.826 10.574 -2.966 1.00 0.00 H new ATOM 0 HG13 ILE B 24 1.050 9.153 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE B 24 0.985 7.014 -2.405 1.00 0.00 H new ATOM 0 HG22 ILE B 24 1.769 6.851 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE B 24 0.225 7.724 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -0.626 10.854 -3.011 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -0.827 9.394 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -0.038 10.836 -1.331 1.00 0.00 H new ATOM 979 N ALA B 25 4.252 8.624 0.593 1.00 0.00 N ATOM 980 CA ALA B 25 5.062 7.865 1.567 1.00 0.00 C ATOM 981 C ALA B 25 4.634 8.144 3.016 1.00 0.00 C ATOM 982 O ALA B 25 4.434 7.257 3.848 1.00 0.00 O ATOM 983 CB ALA B 25 6.543 8.267 1.401 1.00 0.00 C ATOM 0 H ALA B 25 4.802 9.096 -0.124 1.00 0.00 H new ATOM 0 HA ALA B 25 4.915 6.803 1.371 1.00 0.00 H new ATOM 0 HB1 ALA B 25 7.153 7.713 2.115 1.00 0.00 H new ATOM 0 HB2 ALA B 25 6.871 8.036 0.388 1.00 0.00 H new ATOM 0 HB3 ALA B 25 6.652 9.336 1.583 1.00 0.00 H new ATOM 989 N THR B 26 4.489 9.443 3.298 1.00 0.00 N ATOM 990 CA THR B 26 4.046 9.930 4.617 1.00 0.00 C ATOM 991 C THR B 26 2.662 9.382 5.001 1.00 0.00 C ATOM 992 O THR B 26 2.409 8.941 6.120 1.00 0.00 O ATOM 993 CB THR B 26 4.004 11.478 4.595 1.00 0.00 C ATOM 994 OG1 THR B 26 5.294 11.981 4.229 1.00 0.00 O ATOM 995 CG2 THR B 26 3.607 12.090 5.955 1.00 0.00 C ATOM 0 H THR B 26 4.673 10.187 2.625 1.00 0.00 H new ATOM 0 HA THR B 26 4.756 9.576 5.364 1.00 0.00 H new ATOM 0 HB THR B 26 3.243 11.764 3.869 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.271 12.961 4.212 1.00 0.00 H new ATOM 0 HG21 THR B 26 3.595 13.177 5.875 1.00 0.00 H new ATOM 0 HG22 THR B 26 2.616 11.736 6.238 1.00 0.00 H new ATOM 0 HG23 THR B 26 4.329 11.790 6.714 1.00 0.00 H new ATOM 1003 N MET B 27 1.747 9.432 4.025 1.00 0.00 N ATOM 1004 CA MET B 27 0.350 8.991 4.225 1.00 0.00 C ATOM 1005 C MET B 27 0.257 7.528 4.684 1.00 0.00 C ATOM 1006 O MET B 27 -0.343 7.187 5.703 1.00 0.00 O ATOM 1007 CB MET B 27 -0.445 9.177 2.913 1.00 0.00 C ATOM 1008 CG MET B 27 -0.450 10.636 2.420 1.00 0.00 C ATOM 1009 SD MET B 27 -1.422 10.839 0.907 1.00 0.00 S ATOM 1010 CE MET B 27 -1.104 12.592 0.586 1.00 0.00 C ATOM 0 H MET B 27 1.944 9.774 3.084 1.00 0.00 H new ATOM 0 HA MET B 27 -0.077 9.607 5.016 1.00 0.00 H new ATOM 0 HB2 MET B 27 -0.017 8.539 2.140 1.00 0.00 H new ATOM 0 HB3 MET B 27 -1.472 8.846 3.066 1.00 0.00 H new ATOM 0 HG2 MET B 27 -0.855 11.281 3.200 1.00 0.00 H new ATOM 0 HG3 MET B 27 0.575 10.961 2.239 1.00 0.00 H new ATOM 0 HE1 MET B 27 -1.629 12.897 -0.319 1.00 0.00 H new ATOM 0 HE2 MET B 27 -1.458 13.186 1.429 1.00 0.00 H new ATOM 0 HE3 MET B 27 -0.033 12.750 0.455 1.00 0.00 H new ATOM 1020 N ILE B 28 0.886 6.648 3.899 1.00 0.00 N ATOM 1021 CA ILE B 28 0.918 5.200 4.196 1.00 0.00 C ATOM 1022 C ILE B 28 1.383 4.932 5.635 1.00 0.00 C ATOM 1023 O ILE B 28 0.772 4.216 6.429 1.00 0.00 O ATOM 1024 CB ILE B 28 1.880 4.499 3.197 1.00 0.00 C ATOM 1025 CG1 ILE B 28 1.460 4.687 1.718 1.00 0.00 C ATOM 1026 CG2 ILE B 28 2.073 3.003 3.531 1.00 0.00 C ATOM 1027 CD1 ILE B 28 0.064 4.119 1.387 1.00 0.00 C ATOM 0 H ILE B 28 1.384 6.908 3.048 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.092 4.803 4.091 1.00 0.00 H new ATOM 0 HB ILE B 28 2.842 4.997 3.317 1.00 0.00 H new ATOM 0 HG12 ILE B 28 1.475 5.750 1.479 1.00 0.00 H new ATOM 0 HG13 ILE B 28 2.199 4.206 1.077 1.00 0.00 H new ATOM 0 HG21 ILE B 28 2.753 2.553 2.807 1.00 0.00 H new ATOM 0 HG22 ILE B 28 2.492 2.905 4.532 1.00 0.00 H new ATOM 0 HG23 ILE B 28 1.110 2.494 3.490 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -0.158 4.289 0.333 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.049 3.049 1.593 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -0.686 4.617 2.001 1.00 0.00 H new ATOM 1039 N LYS B 29 2.519 5.558 5.953 1.00 0.00 N ATOM 1040 CA LYS B 29 3.133 5.466 7.290 1.00 0.00 C ATOM 1041 C LYS B 29 2.194 5.949 8.409 1.00 0.00 C ATOM 1042 O LYS B 29 2.112 5.385 9.498 1.00 0.00 O ATOM 1043 CB LYS B 29 4.433 6.300 7.260 1.00 0.00 C ATOM 1044 CG LYS B 29 5.227 6.280 8.583 1.00 0.00 C ATOM 1045 CD LYS B 29 6.599 6.976 8.472 1.00 0.00 C ATOM 1046 CE LYS B 29 7.555 6.259 7.493 1.00 0.00 C ATOM 1047 NZ LYS B 29 8.850 6.955 7.470 1.00 0.00 N ATOM 0 H LYS B 29 3.040 6.141 5.298 1.00 0.00 H new ATOM 0 HA LYS B 29 3.344 4.421 7.517 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.072 5.927 6.460 1.00 0.00 H new ATOM 0 HB3 LYS B 29 4.184 7.332 7.014 1.00 0.00 H new ATOM 0 HG2 LYS B 29 4.640 6.769 9.360 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.374 5.247 8.897 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.454 8.005 8.143 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.061 7.019 9.458 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.694 5.222 7.798 1.00 0.00 H new ATOM 0 HE3 LYS B 29 7.122 6.242 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 9.588 6.305 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.792 7.775 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 9.087 7.279 8.429 1.00 0.00 H new ATOM 1061 N LYS B 30 1.457 7.023 8.110 1.00 0.00 N ATOM 1062 CA LYS B 30 0.589 7.673 9.111 1.00 0.00 C ATOM 1063 C LYS B 30 -0.464 6.715 9.691 1.00 0.00 C ATOM 1064 O LYS B 30 -0.530 6.473 10.894 1.00 0.00 O ATOM 1065 CB LYS B 30 -0.084 8.918 8.484 1.00 0.00 C ATOM 1066 CG LYS B 30 -1.057 9.702 9.403 1.00 0.00 C ATOM 1067 CD LYS B 30 -0.434 10.358 10.662 1.00 0.00 C ATOM 1068 CE LYS B 30 -0.154 9.378 11.822 1.00 0.00 C ATOM 1069 NZ LYS B 30 0.267 10.123 13.016 1.00 0.00 N ATOM 0 H LYS B 30 1.440 7.463 7.190 1.00 0.00 H new ATOM 0 HA LYS B 30 1.218 7.980 9.947 1.00 0.00 H new ATOM 0 HB2 LYS B 30 0.698 9.600 8.151 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -0.631 8.602 7.596 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -1.533 10.483 8.810 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -1.845 9.022 9.726 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.500 10.843 10.379 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -1.104 11.141 11.018 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.049 8.797 12.042 1.00 0.00 H new ATOM 0 HE3 LYS B 30 0.622 8.670 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 0.454 9.457 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 1.133 10.659 12.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -0.487 10.781 13.298 1.00 0.00 H new ATOM 1083 N LYS B 31 -1.298 6.148 8.813 1.00 0.00 N ATOM 1084 CA LYS B 31 -2.360 5.223 9.265 1.00 0.00 C ATOM 1085 C LYS B 31 -1.823 4.002 10.026 1.00 0.00 C ATOM 1086 O LYS B 31 -2.334 3.600 11.072 1.00 0.00 O ATOM 1087 CB LYS B 31 -3.262 4.760 8.097 1.00 0.00 C ATOM 1088 CG LYS B 31 -4.309 5.818 7.683 1.00 0.00 C ATOM 1089 CD LYS B 31 -3.759 7.007 6.868 1.00 0.00 C ATOM 1090 CE LYS B 31 -3.349 6.585 5.444 1.00 0.00 C ATOM 1091 NZ LYS B 31 -2.953 7.771 4.673 1.00 0.00 N ATOM 0 H LYS B 31 -1.267 6.304 7.805 1.00 0.00 H new ATOM 0 HA LYS B 31 -2.960 5.804 9.965 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -2.637 4.520 7.237 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -3.776 3.842 8.384 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -5.086 5.326 7.098 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -4.785 6.206 8.584 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -4.516 7.790 6.811 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -2.898 7.433 7.383 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -2.523 5.875 5.488 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.179 6.079 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -2.824 7.509 3.675 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -3.694 8.497 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -2.060 8.148 5.050 1.00 0.00 H new ATOM 1105 N CYS B 32 -0.767 3.399 9.470 1.00 0.00 N ATOM 1106 CA CYS B 32 -0.127 2.223 10.092 1.00 0.00 C ATOM 1107 C CYS B 32 0.403 2.530 11.503 1.00 0.00 C ATOM 1108 O CYS B 32 -0.160 2.130 12.522 1.00 0.00 O ATOM 1109 CB CYS B 32 1.017 1.745 9.168 1.00 0.00 C ATOM 1110 SG CYS B 32 0.400 0.918 7.680 1.00 0.00 S ATOM 0 H CYS B 32 -0.336 3.699 8.596 1.00 0.00 H new ATOM 0 HA CYS B 32 -0.872 1.436 10.208 1.00 0.00 H new ATOM 0 HB2 CYS B 32 1.628 2.600 8.879 1.00 0.00 H new ATOM 0 HB3 CYS B 32 1.664 1.062 9.718 1.00 0.00 H new