USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 22 HIS : no HE2:sc= -0.868 K(o=0.034,f=0.73) USER MOD Set 1.2: A 77 SER OG : rot 93:sc= 0.902 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -0.963 K(o=-0.96,f=-1.9) USER MOD Single : A 9 SER OG : rot 21:sc= -1.46 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.0577 USER MOD Single : A 24 ASN : amide:sc= -2.58! C(o=-2.6!,f=-6.8!) USER MOD Single : A 26 ASN : amide:sc= -0.732 K(o=-0.73,f=-1.3) USER MOD Single : A 28 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.038) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -151:sc= -1.56! USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= -0.0959 (180deg=-0.372) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 69:sc= 1.05 USER MOD Single : A 42 GLN : amide:sc= -0.356 K(o=-0.36,f=-4.3!) USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= -1.55 (180deg=-3.41!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 65 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.19) USER MOD Single : A 70 THR OG1 : rot 100:sc= 0.512 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -168:sc= -3.27! USER MOD Single : A 87 GLN : amide:sc= -2.16! K(o=-2.2!,f=-0.0078) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 6.306 3.196 -14.913 1.00 0.00 N ATOM 20 CA TYR A 3 4.950 2.976 -14.423 1.00 0.00 C ATOM 21 C TYR A 3 4.629 3.935 -13.280 1.00 0.00 C ATOM 22 O TYR A 3 5.298 3.929 -12.246 1.00 0.00 O ATOM 23 CB TYR A 3 4.787 1.528 -13.956 1.00 0.00 C ATOM 24 CG TYR A 3 3.385 1.186 -13.506 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.387 0.904 -14.431 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.059 1.141 -12.156 1.00 0.00 C ATOM 27 CE1 TYR A 3 1.105 0.588 -14.025 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.780 0.825 -11.741 1.00 0.00 C ATOM 29 CZ TYR A 3 0.806 0.550 -12.679 1.00 0.00 C ATOM 30 OH TYR A 3 -0.470 0.236 -12.270 1.00 0.00 O ATOM 0 HA TYR A 3 4.253 3.166 -15.239 1.00 0.00 H new ATOM 0 HB2 TYR A 3 5.071 0.860 -14.769 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.478 1.341 -13.134 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.618 0.932 -15.486 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.818 1.357 -11.419 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.341 0.372 -14.757 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.543 0.793 -10.688 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.513 0.252 -11.291 1.00 0.00 H new ATOM 40 N TRP A 4 3.600 4.757 -13.472 1.00 0.00 N ATOM 41 CA TRP A 4 3.198 5.724 -12.457 1.00 0.00 C ATOM 42 C TRP A 4 1.676 5.869 -12.409 1.00 0.00 C ATOM 43 O TRP A 4 1.087 6.546 -13.254 1.00 0.00 O ATOM 44 CB TRP A 4 3.843 7.082 -12.741 1.00 0.00 C ATOM 45 CG TRP A 4 3.573 8.107 -11.681 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.513 8.966 -11.621 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.379 8.382 -10.529 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.610 9.757 -10.501 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.747 9.418 -9.816 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.572 7.852 -10.032 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.269 9.932 -8.632 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.090 8.365 -8.858 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.438 9.396 -8.169 1.00 0.00 C ATOM 0 H TRP A 4 3.032 4.772 -14.319 1.00 0.00 H new ATOM 0 HA TRP A 4 3.538 5.360 -11.487 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.920 6.950 -12.841 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.478 7.456 -13.698 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.715 9.016 -12.347 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.944 10.479 -10.225 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.080 7.056 -10.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.768 10.726 -8.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.013 7.964 -8.465 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.868 9.775 -7.254 1.00 0.00 H new ATOM 64 N PRO A 5 1.014 5.230 -11.424 1.00 0.00 N ATOM 65 CA PRO A 5 -0.446 5.302 -11.277 1.00 0.00 C ATOM 66 C PRO A 5 -0.928 6.724 -11.012 1.00 0.00 C ATOM 67 O PRO A 5 -0.124 7.640 -10.842 1.00 0.00 O ATOM 68 CB PRO A 5 -0.738 4.409 -10.065 1.00 0.00 C ATOM 69 CG PRO A 5 0.474 3.556 -9.903 1.00 0.00 C ATOM 70 CD PRO A 5 1.627 4.387 -10.385 1.00 0.00 C ATOM 0 HA PRO A 5 -0.958 4.985 -12.185 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.921 5.006 -9.172 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.628 3.801 -10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.611 3.265 -8.862 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.385 2.637 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.057 4.985 -9.582 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.430 3.769 -10.788 1.00 0.00 H new ATOM 78 N ALA A 6 -2.245 6.903 -10.978 1.00 0.00 N ATOM 79 CA ALA A 6 -2.829 8.216 -10.731 1.00 0.00 C ATOM 80 C ALA A 6 -2.828 8.540 -9.240 1.00 0.00 C ATOM 81 O ALA A 6 -2.312 7.772 -8.429 1.00 0.00 O ATOM 82 CB ALA A 6 -4.242 8.282 -11.292 1.00 0.00 C ATOM 0 H ALA A 6 -2.926 6.157 -11.118 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.219 8.962 -11.239 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.664 9.268 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.216 8.102 -12.367 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.860 7.523 -10.812 1.00 0.00 H new ATOM 88 N ARG A 7 -3.409 9.683 -8.886 1.00 0.00 N ATOM 89 CA ARG A 7 -3.468 10.112 -7.492 1.00 0.00 C ATOM 90 C ARG A 7 -4.532 9.339 -6.718 1.00 0.00 C ATOM 91 O ARG A 7 -5.545 8.925 -7.284 1.00 0.00 O ATOM 92 CB ARG A 7 -3.756 11.612 -7.414 1.00 0.00 C ATOM 93 CG ARG A 7 -2.702 12.469 -8.097 1.00 0.00 C ATOM 94 CD ARG A 7 -3.048 13.947 -8.015 1.00 0.00 C ATOM 95 NE ARG A 7 -4.324 14.246 -8.660 1.00 0.00 N ATOM 96 CZ ARG A 7 -4.819 15.474 -8.781 1.00 0.00 C ATOM 97 NH1 ARG A 7 -4.149 16.515 -8.302 1.00 0.00 N ATOM 98 NH2 ARG A 7 -5.986 15.663 -9.380 1.00 0.00 N ATOM 0 H ARG A 7 -3.845 10.328 -9.545 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.499 9.905 -7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.726 11.812 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.829 11.906 -6.367 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.732 12.295 -7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.612 12.173 -9.142 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.090 14.252 -6.969 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.258 14.531 -8.486 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.866 13.469 -9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.251 16.374 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.532 17.456 -8.397 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.505 14.866 -9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.365 16.605 -9.472 1.00 0.00 H new ATOM 112 N HIS A 8 -4.285 9.152 -5.419 1.00 0.00 N ATOM 113 CA HIS A 8 -5.205 8.435 -4.529 1.00 0.00 C ATOM 114 C HIS A 8 -5.810 7.205 -5.205 1.00 0.00 C ATOM 115 O HIS A 8 -6.923 6.791 -4.876 1.00 0.00 O ATOM 116 CB HIS A 8 -6.318 9.368 -4.036 1.00 0.00 C ATOM 117 CG HIS A 8 -7.191 9.913 -5.125 1.00 0.00 C ATOM 118 ND1 HIS A 8 -8.244 9.208 -5.669 1.00 0.00 N ATOM 119 CD2 HIS A 8 -7.164 11.103 -5.770 1.00 0.00 C ATOM 120 CE1 HIS A 8 -8.824 9.940 -6.603 1.00 0.00 C ATOM 121 NE2 HIS A 8 -8.189 11.094 -6.683 1.00 0.00 N ATOM 0 H HIS A 8 -3.443 9.492 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.624 8.091 -3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.941 8.827 -3.323 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.866 10.201 -3.497 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -8.530 8.269 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.466 11.909 -5.598 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.674 9.644 -7.200 1.00 0.00 H new ATOM 130 N SER A 9 -5.068 6.616 -6.138 1.00 0.00 N ATOM 131 CA SER A 9 -5.536 5.431 -6.847 1.00 0.00 C ATOM 132 C SER A 9 -5.412 4.196 -5.964 1.00 0.00 C ATOM 133 O SER A 9 -4.573 4.151 -5.068 1.00 0.00 O ATOM 134 CB SER A 9 -4.738 5.231 -8.137 1.00 0.00 C ATOM 135 OG SER A 9 -4.880 6.344 -9.000 1.00 0.00 O ATOM 0 H SER A 9 -4.143 6.939 -6.420 1.00 0.00 H new ATOM 0 HA SER A 9 -6.586 5.577 -7.100 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.685 5.084 -7.898 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.079 4.328 -8.643 1.00 0.00 H new ATOM 0 HG SER A 9 -5.165 7.125 -8.482 1.00 0.00 H new ATOM 141 N GLY A 10 -6.251 3.196 -6.221 1.00 0.00 N ATOM 142 CA GLY A 10 -6.211 1.978 -5.431 1.00 0.00 C ATOM 143 C GLY A 10 -4.819 1.382 -5.344 1.00 0.00 C ATOM 144 O GLY A 10 -4.300 1.159 -4.251 1.00 0.00 O ATOM 0 H GLY A 10 -6.955 3.207 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.574 2.190 -4.425 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.889 1.245 -5.867 1.00 0.00 H new ATOM 148 N ALA A 11 -4.216 1.126 -6.500 1.00 0.00 N ATOM 149 CA ALA A 11 -2.876 0.551 -6.546 1.00 0.00 C ATOM 150 C ALA A 11 -1.853 1.455 -5.853 1.00 0.00 C ATOM 151 O ALA A 11 -0.855 0.979 -5.309 1.00 0.00 O ATOM 152 CB ALA A 11 -2.474 0.286 -7.988 1.00 0.00 C ATOM 0 H ALA A 11 -4.631 1.306 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.892 -0.395 -6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.472 -0.143 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.179 -0.411 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.482 1.222 -8.546 1.00 0.00 H new ATOM 158 N ARG A 12 -2.108 2.760 -5.877 1.00 0.00 N ATOM 159 CA ARG A 12 -1.206 3.720 -5.245 1.00 0.00 C ATOM 160 C ARG A 12 -1.301 3.642 -3.733 1.00 0.00 C ATOM 161 O ARG A 12 -0.296 3.506 -3.035 1.00 0.00 O ATOM 162 CB ARG A 12 -1.542 5.141 -5.704 1.00 0.00 C ATOM 163 CG ARG A 12 -1.217 6.221 -4.681 1.00 0.00 C ATOM 164 CD ARG A 12 -1.420 7.614 -5.255 1.00 0.00 C ATOM 165 NE ARG A 12 -0.516 7.882 -6.371 1.00 0.00 N ATOM 166 CZ ARG A 12 -0.088 9.099 -6.698 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.475 10.153 -5.994 1.00 0.00 N ATOM 168 NH2 ARG A 12 0.730 9.259 -7.729 1.00 0.00 N ATOM 0 H ARG A 12 -2.925 3.176 -6.324 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.188 3.471 -5.544 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.997 5.352 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.604 5.192 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.849 6.093 -3.802 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.185 6.110 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.452 7.721 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.260 8.356 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.195 7.092 -6.931 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.103 10.033 -5.199 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.145 11.084 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.031 8.449 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.058 10.192 -7.980 1.00 0.00 H new ATOM 182 N VAL A 13 -2.523 3.730 -3.239 1.00 0.00 N ATOM 183 CA VAL A 13 -2.770 3.703 -1.815 1.00 0.00 C ATOM 184 C VAL A 13 -2.249 2.421 -1.168 1.00 0.00 C ATOM 185 O VAL A 13 -1.815 2.437 -0.016 1.00 0.00 O ATOM 186 CB VAL A 13 -4.273 3.858 -1.511 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.535 3.812 -0.015 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.805 5.150 -2.111 1.00 0.00 C ATOM 0 H VAL A 13 -3.363 3.821 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.227 4.546 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.800 3.021 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.603 3.924 0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.195 2.857 0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.995 4.623 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.868 5.244 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.268 5.997 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.661 5.136 -3.191 1.00 0.00 H new ATOM 198 N ILE A 14 -2.288 1.314 -1.906 1.00 0.00 N ATOM 199 CA ILE A 14 -1.832 0.045 -1.354 1.00 0.00 C ATOM 200 C ILE A 14 -0.306 -0.037 -1.249 1.00 0.00 C ATOM 201 O ILE A 14 0.225 -0.325 -0.182 1.00 0.00 O ATOM 202 CB ILE A 14 -2.369 -1.158 -2.161 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.885 -1.124 -3.610 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.886 -1.186 -2.116 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.367 -2.298 -4.435 1.00 0.00 C ATOM 0 H ILE A 14 -2.624 1.270 -2.868 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.239 -0.002 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.980 -2.066 -1.701 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.224 -0.199 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.795 -1.106 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.251 -2.039 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.218 -1.275 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.280 -0.265 -2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.986 -2.209 -5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.006 -3.226 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.457 -2.305 -4.455 1.00 0.00 H new ATOM 217 N LEU A 15 0.404 0.213 -2.345 1.00 0.00 N ATOM 218 CA LEU A 15 1.864 0.132 -2.285 1.00 0.00 C ATOM 219 C LEU A 15 2.438 1.081 -1.231 1.00 0.00 C ATOM 220 O LEU A 15 3.380 0.734 -0.517 1.00 0.00 O ATOM 221 CB LEU A 15 2.479 0.435 -3.653 1.00 0.00 C ATOM 222 CG LEU A 15 1.968 -0.437 -4.798 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.065 0.307 -6.118 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.752 -1.737 -4.863 1.00 0.00 C ATOM 0 H LEU A 15 0.014 0.464 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 15 2.121 -0.887 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.286 1.480 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.560 0.318 -3.582 1.00 0.00 H new ATOM 0 HG LEU A 15 0.920 -0.672 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.697 -0.330 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.463 1.215 -6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.105 0.571 -6.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.376 -2.348 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.807 -1.518 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.636 -2.279 -3.925 1.00 0.00 H new ATOM 236 N LEU A 16 1.852 2.266 -1.121 1.00 0.00 N ATOM 237 CA LEU A 16 2.333 3.248 -0.171 1.00 0.00 C ATOM 238 C LEU A 16 2.076 2.792 1.259 1.00 0.00 C ATOM 239 O LEU A 16 2.943 2.876 2.138 1.00 0.00 O ATOM 240 CB LEU A 16 1.613 4.562 -0.428 1.00 0.00 C ATOM 241 CG LEU A 16 1.946 5.670 0.549 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.404 6.072 0.422 1.00 0.00 C ATOM 243 CD2 LEU A 16 1.031 6.855 0.318 1.00 0.00 C ATOM 0 H LEU A 16 1.049 2.565 -1.675 1.00 0.00 H new ATOM 0 HA LEU A 16 3.408 3.373 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.853 4.901 -1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.538 4.383 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 16 1.788 5.307 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.625 6.869 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.038 5.211 0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.597 6.424 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.277 7.648 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.162 7.223 -0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.005 6.548 0.463 1.00 0.00 H new ATOM 255 N VAL A 17 0.868 2.314 1.480 1.00 0.00 N ATOM 256 CA VAL A 17 0.469 1.851 2.789 1.00 0.00 C ATOM 257 C VAL A 17 1.291 0.639 3.219 1.00 0.00 C ATOM 258 O VAL A 17 1.677 0.529 4.384 1.00 0.00 O ATOM 259 CB VAL A 17 -1.034 1.539 2.808 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.347 0.186 2.205 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.588 1.640 4.210 1.00 0.00 C ATOM 0 H VAL A 17 0.145 2.237 0.765 1.00 0.00 H new ATOM 0 HA VAL A 17 0.662 2.647 3.508 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.522 2.289 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.422 0.011 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.011 0.163 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.834 -0.592 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.654 1.415 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.074 0.928 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.435 2.650 4.590 1.00 0.00 H new ATOM 271 N LEU A 18 1.558 -0.273 2.284 1.00 0.00 N ATOM 272 CA LEU A 18 2.373 -1.434 2.615 1.00 0.00 C ATOM 273 C LEU A 18 3.771 -0.968 2.971 1.00 0.00 C ATOM 274 O LEU A 18 4.477 -1.614 3.744 1.00 0.00 O ATOM 275 CB LEU A 18 2.466 -2.429 1.447 1.00 0.00 C ATOM 276 CG LEU A 18 1.146 -2.977 0.900 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.388 -4.267 0.135 1.00 0.00 C ATOM 278 CD2 LEU A 18 0.133 -3.198 2.016 1.00 0.00 C ATOM 0 H LEU A 18 1.231 -0.232 1.319 1.00 0.00 H new ATOM 0 HA LEU A 18 1.901 -1.944 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.997 -1.943 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.077 -3.273 1.767 1.00 0.00 H new ATOM 0 HG LEU A 18 0.730 -2.236 0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.441 -4.646 -0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.066 -4.075 -0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.832 -5.007 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.794 -3.588 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.534 -3.913 2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.067 -2.252 2.519 1.00 0.00 H new ATOM 290 N TYR A 19 4.160 0.166 2.394 1.00 0.00 N ATOM 291 CA TYR A 19 5.490 0.714 2.630 1.00 0.00 C ATOM 292 C TYR A 19 5.768 0.887 4.110 1.00 0.00 C ATOM 293 O TYR A 19 6.652 0.233 4.651 1.00 0.00 O ATOM 294 CB TYR A 19 5.645 2.054 1.913 1.00 0.00 C ATOM 295 CG TYR A 19 7.004 2.694 2.087 1.00 0.00 C ATOM 296 CD1 TYR A 19 8.086 2.301 1.310 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.201 3.700 3.026 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.326 2.891 1.464 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.437 4.294 3.186 1.00 0.00 C ATOM 300 CZ TYR A 19 9.497 3.888 2.403 1.00 0.00 C ATOM 301 OH TYR A 19 10.730 4.478 2.559 1.00 0.00 O ATOM 0 H TYR A 19 3.578 0.719 1.765 1.00 0.00 H new ATOM 0 HA TYR A 19 6.214 0.004 2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.457 1.908 0.849 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.882 2.741 2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.956 1.522 0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.373 4.022 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.158 2.573 0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.573 5.073 3.921 1.00 0.00 H new ATOM 0 HH TYR A 19 10.680 5.161 3.260 1.00 0.00 H new ATOM 311 N ARG A 20 4.985 1.719 4.783 1.00 0.00 N ATOM 312 CA ARG A 20 5.216 1.948 6.207 1.00 0.00 C ATOM 313 C ARG A 20 5.153 0.652 7.007 1.00 0.00 C ATOM 314 O ARG A 20 6.061 0.355 7.783 1.00 0.00 O ATOM 315 CB ARG A 20 4.216 2.969 6.748 1.00 0.00 C ATOM 316 CG ARG A 20 2.773 2.660 6.397 1.00 0.00 C ATOM 317 CD ARG A 20 1.886 3.866 6.636 1.00 0.00 C ATOM 318 NE ARG A 20 0.475 3.567 6.413 1.00 0.00 N ATOM 319 CZ ARG A 20 -0.505 4.443 6.614 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.227 5.670 7.034 1.00 0.00 N ATOM 321 NH2 ARG A 20 -1.764 4.092 6.394 1.00 0.00 N ATOM 0 H ARG A 20 4.203 2.236 4.381 1.00 0.00 H new ATOM 0 HA ARG A 20 6.224 2.348 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.313 3.019 7.832 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.471 3.955 6.359 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.706 2.356 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.421 1.820 6.996 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.023 4.219 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.192 4.677 5.975 1.00 0.00 H new ATOM 0 HE ARG A 20 0.227 2.634 6.085 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.741 5.944 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.981 6.340 7.187 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.982 3.149 6.070 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.515 4.764 6.548 1.00 0.00 H new ATOM 335 N GLU A 21 4.089 -0.117 6.815 1.00 0.00 N ATOM 336 CA GLU A 21 3.981 -1.370 7.551 1.00 0.00 C ATOM 337 C GLU A 21 5.177 -2.272 7.259 1.00 0.00 C ATOM 338 O GLU A 21 5.571 -3.084 8.094 1.00 0.00 O ATOM 339 CB GLU A 21 2.682 -2.095 7.204 1.00 0.00 C ATOM 340 CG GLU A 21 2.453 -3.340 8.043 1.00 0.00 C ATOM 341 CD GLU A 21 2.372 -3.036 9.526 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.254 -2.776 10.018 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.426 -3.059 10.196 1.00 0.00 O ATOM 0 H GLU A 21 3.317 0.092 6.182 1.00 0.00 H new ATOM 0 HA GLU A 21 3.972 -1.133 8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.844 -1.412 7.342 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.698 -2.372 6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.530 -3.824 7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.262 -4.048 7.865 1.00 0.00 H new ATOM 350 N HIS A 22 5.747 -2.125 6.068 1.00 0.00 N ATOM 351 CA HIS A 22 6.904 -2.927 5.692 1.00 0.00 C ATOM 352 C HIS A 22 8.157 -2.419 6.398 1.00 0.00 C ATOM 353 O HIS A 22 9.029 -3.200 6.778 1.00 0.00 O ATOM 354 CB HIS A 22 7.095 -2.900 4.178 1.00 0.00 C ATOM 355 CG HIS A 22 8.369 -3.534 3.706 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.425 -4.800 3.162 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.639 -3.061 3.681 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.671 -5.078 2.824 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.427 -4.040 3.128 1.00 0.00 N ATOM 0 H HIS A 22 5.432 -1.467 5.355 1.00 0.00 H new ATOM 0 HA HIS A 22 6.730 -3.957 6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.254 -3.409 3.708 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.071 -1.864 3.839 1.00 0.00 H new ATOM 0 HD1 HIS A 22 7.628 -5.425 3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.970 -2.094 4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.013 -5.999 2.375 1.00 0.00 H new ATOM 368 N LEU A 23 8.237 -1.103 6.568 1.00 0.00 N ATOM 369 CA LEU A 23 9.379 -0.497 7.241 1.00 0.00 C ATOM 370 C LEU A 23 9.343 -0.786 8.735 1.00 0.00 C ATOM 371 O LEU A 23 10.120 -0.220 9.502 1.00 0.00 O ATOM 372 CB LEU A 23 9.408 1.014 7.004 1.00 0.00 C ATOM 373 CG LEU A 23 10.056 1.451 5.692 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.141 1.169 4.512 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.422 2.924 5.746 1.00 0.00 C ATOM 0 H LEU A 23 7.529 -0.440 6.251 1.00 0.00 H new ATOM 0 HA LEU A 23 10.284 -0.936 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.385 1.390 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.941 1.486 7.829 1.00 0.00 H new ATOM 0 HG LEU A 23 10.969 0.872 5.555 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.627 1.490 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.933 0.100 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.206 1.715 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.883 3.219 4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.522 3.517 5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.124 3.095 6.562 1.00 0.00 H new ATOM 387 N ASN A 24 8.431 -1.663 9.138 1.00 0.00 N ATOM 388 CA ASN A 24 8.287 -2.040 10.541 1.00 0.00 C ATOM 389 C ASN A 24 9.135 -3.267 10.881 1.00 0.00 C ATOM 390 O ASN A 24 8.781 -4.390 10.522 1.00 0.00 O ATOM 391 CB ASN A 24 6.821 -2.327 10.869 1.00 0.00 C ATOM 392 CG ASN A 24 6.005 -1.059 11.004 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.421 -0.575 10.039 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.962 -0.511 12.212 1.00 0.00 N ATOM 0 H ASN A 24 7.776 -2.129 8.510 1.00 0.00 H new ATOM 0 HA ASN A 24 8.637 -1.201 11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.391 -2.952 10.086 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.763 -2.895 11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.429 0.345 12.365 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.462 -0.946 12.987 1.00 0.00 H new ATOM 401 N PRO A 25 10.272 -3.068 11.577 1.00 0.00 N ATOM 402 CA PRO A 25 11.160 -4.166 11.976 1.00 0.00 C ATOM 403 C PRO A 25 10.500 -5.098 12.981 1.00 0.00 C ATOM 404 O PRO A 25 10.805 -6.290 13.035 1.00 0.00 O ATOM 405 CB PRO A 25 12.347 -3.461 12.641 1.00 0.00 C ATOM 406 CG PRO A 25 12.249 -2.035 12.223 1.00 0.00 C ATOM 407 CD PRO A 25 10.787 -1.765 12.017 1.00 0.00 C ATOM 0 HA PRO A 25 11.435 -4.785 11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.302 -3.556 13.726 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.293 -3.899 12.322 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.664 -1.375 12.985 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.812 -1.857 11.307 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.305 -1.429 12.935 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.621 -0.991 11.268 1.00 0.00 H new ATOM 415 N ASN A 26 9.593 -4.543 13.774 1.00 0.00 N ATOM 416 CA ASN A 26 8.908 -5.335 14.783 1.00 0.00 C ATOM 417 C ASN A 26 7.418 -5.425 14.468 1.00 0.00 C ATOM 418 O ASN A 26 6.585 -5.552 15.366 1.00 0.00 O ATOM 419 CB ASN A 26 9.124 -4.720 16.169 1.00 0.00 C ATOM 420 CG ASN A 26 8.662 -5.631 17.291 1.00 0.00 C ATOM 421 OD1 ASN A 26 7.520 -5.550 17.744 1.00 0.00 O ATOM 422 ND2 ASN A 26 9.552 -6.506 17.746 1.00 0.00 N ATOM 0 H ASN A 26 9.318 -3.561 13.739 1.00 0.00 H new ATOM 0 HA ASN A 26 9.322 -6.343 14.778 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.182 -4.495 16.301 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.587 -3.774 16.230 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.300 -7.145 18.500 1.00 0.00 H new ATOM 0 HD22 ASN A 26 10.488 -6.539 17.341 1.00 0.00 H new ATOM 429 N GLY A 27 7.091 -5.371 13.181 1.00 0.00 N ATOM 430 CA GLY A 27 5.697 -5.443 12.787 1.00 0.00 C ATOM 431 C GLY A 27 5.350 -6.763 12.130 1.00 0.00 C ATOM 432 O GLY A 27 5.451 -7.820 12.753 1.00 0.00 O ATOM 0 H GLY A 27 7.756 -5.280 12.413 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.066 -5.300 13.665 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.474 -4.628 12.098 1.00 0.00 H new ATOM 436 N HIS A 28 4.941 -6.703 10.867 1.00 0.00 N ATOM 437 CA HIS A 28 4.579 -7.905 10.126 1.00 0.00 C ATOM 438 C HIS A 28 5.134 -7.859 8.706 1.00 0.00 C ATOM 439 O HIS A 28 5.194 -8.880 8.025 1.00 0.00 O ATOM 440 CB HIS A 28 3.058 -8.066 10.083 1.00 0.00 C ATOM 441 CG HIS A 28 2.431 -8.215 11.435 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.140 -9.439 12.000 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.038 -7.283 12.337 1.00 0.00 C ATOM 444 CE1 HIS A 28 1.593 -9.254 13.188 1.00 0.00 C ATOM 445 NE2 HIS A 28 1.520 -7.956 13.416 1.00 0.00 N ATOM 0 H HIS A 28 4.852 -5.836 10.336 1.00 0.00 H new ATOM 0 HA HIS A 28 5.015 -8.761 10.641 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.624 -7.200 9.584 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.811 -8.939 9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.117 -6.211 12.228 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.262 -10.033 13.859 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.140 -7.523 14.258 1.00 0.00 H new ATOM 454 N HIS A 29 5.540 -6.668 8.272 1.00 0.00 N ATOM 455 CA HIS A 29 6.088 -6.477 6.930 1.00 0.00 C ATOM 456 C HIS A 29 5.010 -6.682 5.868 1.00 0.00 C ATOM 457 O HIS A 29 5.312 -6.888 4.692 1.00 0.00 O ATOM 458 CB HIS A 29 7.261 -7.431 6.683 1.00 0.00 C ATOM 459 CG HIS A 29 8.380 -7.269 7.663 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.563 -8.107 8.744 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.383 -6.361 7.722 1.00 0.00 C ATOM 462 CE1 HIS A 29 9.627 -7.720 9.425 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.142 -6.663 8.824 1.00 0.00 N ATOM 0 H HIS A 29 5.500 -5.817 8.833 1.00 0.00 H new ATOM 0 HA HIS A 29 6.452 -5.452 6.859 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.898 -8.458 6.725 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.645 -7.269 5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.554 -5.550 7.030 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.010 -8.188 10.320 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.971 -6.153 9.130 1.00 0.00 H new ATOM 472 N PHE A 30 3.753 -6.614 6.295 1.00 0.00 N ATOM 473 CA PHE A 30 2.617 -6.786 5.386 1.00 0.00 C ATOM 474 C PHE A 30 1.301 -6.439 6.073 1.00 0.00 C ATOM 475 O PHE A 30 1.278 -6.031 7.234 1.00 0.00 O ATOM 476 CB PHE A 30 2.541 -8.224 4.847 1.00 0.00 C ATOM 477 CG PHE A 30 2.462 -9.290 5.909 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.339 -9.410 6.714 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.509 -10.180 6.091 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.263 -10.395 7.681 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.438 -11.166 7.058 1.00 0.00 C ATOM 482 CZ PHE A 30 2.314 -11.273 7.853 1.00 0.00 C ATOM 0 H PHE A 30 3.492 -6.441 7.266 1.00 0.00 H new ATOM 0 HA PHE A 30 2.776 -6.103 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.668 -8.309 4.200 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.417 -8.412 4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.514 -8.726 6.584 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.390 -10.103 5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.383 -10.477 8.301 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.261 -11.852 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.257 -12.043 8.608 1.00 0.00 H new ATOM 492 N LEU A 31 0.205 -6.617 5.340 1.00 0.00 N ATOM 493 CA LEU A 31 -1.127 -6.342 5.853 1.00 0.00 C ATOM 494 C LEU A 31 -2.161 -7.193 5.127 1.00 0.00 C ATOM 495 O LEU A 31 -1.947 -7.603 3.985 1.00 0.00 O ATOM 496 CB LEU A 31 -1.467 -4.865 5.675 1.00 0.00 C ATOM 497 CG LEU A 31 -0.754 -3.905 6.626 1.00 0.00 C ATOM 498 CD1 LEU A 31 -1.070 -2.463 6.264 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.144 -4.192 8.069 1.00 0.00 C ATOM 0 H LEU A 31 0.219 -6.955 4.378 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.144 -6.589 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.230 -4.577 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.543 -4.740 5.800 1.00 0.00 H new ATOM 0 HG LEU A 31 0.321 -4.057 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.554 -1.794 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.738 -2.263 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.145 -2.297 6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.626 -3.498 8.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.221 -4.070 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.865 -5.214 8.325 1.00 0.00 H new ATOM 511 N THR A 32 -3.283 -7.455 5.787 1.00 0.00 N ATOM 512 CA THR A 32 -4.343 -8.250 5.181 1.00 0.00 C ATOM 513 C THR A 32 -5.312 -7.356 4.417 1.00 0.00 C ATOM 514 O THR A 32 -5.336 -6.142 4.615 1.00 0.00 O ATOM 515 CB THR A 32 -5.126 -9.058 6.231 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.794 -8.172 7.136 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.199 -9.980 7.010 1.00 0.00 C ATOM 0 H THR A 32 -3.481 -7.132 6.734 1.00 0.00 H new ATOM 0 HA THR A 32 -3.863 -8.948 4.495 1.00 0.00 H new ATOM 0 HB THR A 32 -5.863 -9.667 5.708 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.888 -8.606 8.009 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.777 -10.540 7.746 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.716 -10.675 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.440 -9.387 7.520 1.00 0.00 H new ATOM 525 N LYS A 33 -6.111 -7.965 3.549 1.00 0.00 N ATOM 526 CA LYS A 33 -7.081 -7.216 2.756 1.00 0.00 C ATOM 527 C LYS A 33 -7.974 -6.371 3.659 1.00 0.00 C ATOM 528 O LYS A 33 -8.316 -5.236 3.332 1.00 0.00 O ATOM 529 CB LYS A 33 -7.937 -8.186 1.934 1.00 0.00 C ATOM 530 CG LYS A 33 -8.544 -7.577 0.676 1.00 0.00 C ATOM 531 CD LYS A 33 -9.683 -6.622 1.000 1.00 0.00 C ATOM 532 CE LYS A 33 -10.383 -6.143 -0.262 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.977 -7.271 -1.030 1.00 0.00 N ATOM 0 H LYS A 33 -6.108 -8.970 3.376 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.542 -6.550 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.324 -9.041 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.741 -8.565 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.771 -7.045 0.121 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.911 -8.373 0.028 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.403 -7.119 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.295 -5.765 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.166 -5.433 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.671 -5.610 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.699 -6.904 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.232 -7.752 -1.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.416 -7.946 -0.372 1.00 0.00 H new ATOM 547 N GLU A 34 -8.334 -6.937 4.803 1.00 0.00 N ATOM 548 CA GLU A 34 -9.197 -6.260 5.763 1.00 0.00 C ATOM 549 C GLU A 34 -8.466 -5.129 6.486 1.00 0.00 C ATOM 550 O GLU A 34 -9.074 -4.120 6.846 1.00 0.00 O ATOM 551 CB GLU A 34 -9.722 -7.268 6.784 1.00 0.00 C ATOM 552 CG GLU A 34 -10.422 -8.462 6.158 1.00 0.00 C ATOM 553 CD GLU A 34 -11.690 -8.077 5.423 1.00 0.00 C ATOM 554 OE1 GLU A 34 -12.765 -8.069 6.059 1.00 0.00 O ATOM 555 OE2 GLU A 34 -11.609 -7.783 4.212 1.00 0.00 O ATOM 0 H GLU A 34 -8.039 -7.870 5.091 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.028 -5.821 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.890 -7.623 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.415 -6.763 7.457 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.741 -8.955 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.664 -9.186 6.937 1.00 0.00 H new ATOM 562 N GLU A 35 -7.164 -5.299 6.699 1.00 0.00 N ATOM 563 CA GLU A 35 -6.379 -4.288 7.402 1.00 0.00 C ATOM 564 C GLU A 35 -6.159 -3.050 6.544 1.00 0.00 C ATOM 565 O GLU A 35 -6.074 -1.940 7.063 1.00 0.00 O ATOM 566 CB GLU A 35 -5.030 -4.859 7.842 1.00 0.00 C ATOM 567 CG GLU A 35 -5.137 -5.870 8.972 1.00 0.00 C ATOM 568 CD GLU A 35 -3.791 -6.445 9.370 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.133 -5.859 10.256 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.394 -7.481 8.795 1.00 0.00 O ATOM 0 H GLU A 35 -6.635 -6.118 6.399 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.948 -3.994 8.284 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.549 -5.333 6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.384 -4.040 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.595 -5.393 9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.799 -6.681 8.668 1.00 0.00 H new ATOM 577 N LEU A 36 -6.095 -3.240 5.234 1.00 0.00 N ATOM 578 CA LEU A 36 -5.858 -2.113 4.343 1.00 0.00 C ATOM 579 C LEU A 36 -7.041 -1.151 4.333 1.00 0.00 C ATOM 580 O LEU A 36 -6.865 0.051 4.150 1.00 0.00 O ATOM 581 CB LEU A 36 -5.575 -2.613 2.928 1.00 0.00 C ATOM 582 CG LEU A 36 -4.473 -3.668 2.827 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.198 -4.034 1.378 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.200 -3.177 3.499 1.00 0.00 C ATOM 0 H LEU A 36 -6.201 -4.143 4.772 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.989 -1.570 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.494 -3.028 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.301 -1.761 2.305 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.818 -4.564 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.410 -4.786 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.105 -4.433 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.881 -3.145 0.832 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.427 -3.941 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.860 -2.263 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.399 -2.974 4.551 1.00 0.00 H new ATOM 596 N LEU A 37 -8.241 -1.684 4.525 1.00 0.00 N ATOM 597 CA LEU A 37 -9.448 -0.865 4.537 1.00 0.00 C ATOM 598 C LEU A 37 -9.311 0.302 5.515 1.00 0.00 C ATOM 599 O LEU A 37 -9.624 1.444 5.180 1.00 0.00 O ATOM 600 CB LEU A 37 -10.665 -1.716 4.909 1.00 0.00 C ATOM 601 CG LEU A 37 -10.947 -2.892 3.970 1.00 0.00 C ATOM 602 CD1 LEU A 37 -12.130 -3.705 4.475 1.00 0.00 C ATOM 603 CD2 LEU A 37 -11.207 -2.397 2.555 1.00 0.00 C ATOM 0 H LEU A 37 -8.405 -2.680 4.675 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.588 -0.459 3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.524 -2.103 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.545 -1.073 4.935 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.067 -3.536 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.316 -4.537 3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.908 -4.092 5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.014 -3.070 4.522 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.405 -3.247 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.070 -1.731 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.332 -1.857 2.192 1.00 0.00 H new ATOM 615 N GLN A 38 -8.842 0.003 6.722 1.00 0.00 N ATOM 616 CA GLN A 38 -8.671 1.041 7.736 1.00 0.00 C ATOM 617 C GLN A 38 -7.459 1.909 7.418 1.00 0.00 C ATOM 618 O GLN A 38 -7.505 3.133 7.540 1.00 0.00 O ATOM 619 CB GLN A 38 -8.516 0.412 9.122 1.00 0.00 C ATOM 620 CG GLN A 38 -9.710 -0.429 9.545 1.00 0.00 C ATOM 621 CD GLN A 38 -9.536 -1.037 10.921 1.00 0.00 C ATOM 622 OE1 GLN A 38 -9.015 -2.144 11.063 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.974 -0.316 11.947 1.00 0.00 N ATOM 0 H GLN A 38 -8.576 -0.935 7.021 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.560 1.671 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.622 -0.211 9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.361 1.203 9.856 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.607 0.190 9.536 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.865 -1.225 8.817 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.399 0.597 11.784 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.885 -0.675 12.898 1.00 0.00 H new ATOM 632 N ARG A 39 -6.378 1.254 7.014 1.00 0.00 N ATOM 633 CA ARG A 39 -5.138 1.940 6.671 1.00 0.00 C ATOM 634 C ARG A 39 -5.376 3.041 5.648 1.00 0.00 C ATOM 635 O ARG A 39 -4.900 4.164 5.802 1.00 0.00 O ATOM 636 CB ARG A 39 -4.145 0.938 6.101 1.00 0.00 C ATOM 637 CG ARG A 39 -3.799 -0.184 7.050 1.00 0.00 C ATOM 638 CD ARG A 39 -2.817 0.268 8.116 1.00 0.00 C ATOM 639 NE ARG A 39 -2.590 -0.763 9.125 1.00 0.00 N ATOM 640 CZ ARG A 39 -1.835 -0.586 10.206 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.236 0.579 10.417 1.00 0.00 N ATOM 642 NH2 ARG A 39 -1.679 -1.574 11.076 1.00 0.00 N ATOM 0 H ARG A 39 -6.335 0.240 6.915 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.742 2.394 7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.557 0.513 5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.231 1.463 5.825 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.708 -0.553 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.372 -1.016 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.869 0.531 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.195 1.170 8.598 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.036 -1.671 8.993 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.354 1.341 9.750 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.658 0.712 11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.138 -2.471 10.917 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.100 -1.437 11.904 1.00 0.00 H new ATOM 656 N CYS A 40 -6.111 2.699 4.598 1.00 0.00 N ATOM 657 CA CYS A 40 -6.418 3.649 3.532 1.00 0.00 C ATOM 658 C CYS A 40 -7.055 4.914 4.095 1.00 0.00 C ATOM 659 O CYS A 40 -6.862 6.008 3.565 1.00 0.00 O ATOM 660 CB CYS A 40 -7.348 3.012 2.498 1.00 0.00 C ATOM 661 SG CYS A 40 -6.633 1.595 1.634 1.00 0.00 S ATOM 0 H CYS A 40 -6.507 1.769 4.460 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.481 3.921 3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.264 2.695 2.996 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.629 3.767 1.764 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.502 0.602 2.463 1.00 0.00 H new ATOM 667 N ALA A 41 -7.814 4.757 5.175 1.00 0.00 N ATOM 668 CA ALA A 41 -8.472 5.895 5.809 1.00 0.00 C ATOM 669 C ALA A 41 -7.452 6.831 6.452 1.00 0.00 C ATOM 670 O ALA A 41 -7.816 7.854 7.033 1.00 0.00 O ATOM 671 CB ALA A 41 -9.478 5.416 6.843 1.00 0.00 C ATOM 0 H ALA A 41 -7.988 3.859 5.627 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.002 6.453 5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.960 6.276 7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.231 4.796 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.965 4.832 7.607 1.00 0.00 H new ATOM 677 N GLN A 42 -6.174 6.476 6.344 1.00 0.00 N ATOM 678 CA GLN A 42 -5.136 7.317 6.927 1.00 0.00 C ATOM 679 C GLN A 42 -4.485 8.169 5.842 1.00 0.00 C ATOM 680 O GLN A 42 -4.040 9.288 6.093 1.00 0.00 O ATOM 681 CB GLN A 42 -4.079 6.459 7.626 1.00 0.00 C ATOM 682 CG GLN A 42 -4.638 5.603 8.751 1.00 0.00 C ATOM 683 CD GLN A 42 -3.572 4.765 9.430 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.308 3.631 9.028 1.00 0.00 O ATOM 685 NE2 GLN A 42 -2.953 5.320 10.465 1.00 0.00 N ATOM 0 H GLN A 42 -5.840 5.636 5.872 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.595 7.972 7.668 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.604 5.811 6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.302 7.110 8.027 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.115 6.247 9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.412 4.947 8.353 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.204 6.262 10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.227 4.804 10.961 1.00 0.00 H new ATOM 694 N LYS A 43 -4.437 7.611 4.633 1.00 0.00 N ATOM 695 CA LYS A 43 -3.851 8.287 3.479 1.00 0.00 C ATOM 696 C LYS A 43 -4.378 9.709 3.349 1.00 0.00 C ATOM 697 O LYS A 43 -3.628 10.678 3.471 1.00 0.00 O ATOM 698 CB LYS A 43 -4.173 7.506 2.207 1.00 0.00 C ATOM 699 CG LYS A 43 -3.420 7.998 0.985 1.00 0.00 C ATOM 700 CD LYS A 43 -2.769 6.840 0.257 1.00 0.00 C ATOM 701 CE LYS A 43 -1.987 7.299 -0.961 1.00 0.00 C ATOM 702 NZ LYS A 43 -2.849 8.022 -1.937 1.00 0.00 N ATOM 0 H LYS A 43 -4.802 6.681 4.427 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.772 8.332 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.939 6.454 2.368 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.244 7.569 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.104 8.517 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.660 8.719 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.101 6.313 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.536 6.129 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.172 7.950 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.534 6.435 -1.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.708 7.623 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.847 7.918 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.595 9.031 -1.944 1.00 0.00 H new ATOM 885 N PRO A 56 -10.089 -6.311 -5.449 1.00 0.00 N ATOM 886 CA PRO A 56 -9.164 -7.383 -5.836 1.00 0.00 C ATOM 887 C PRO A 56 -8.025 -6.832 -6.683 1.00 0.00 C ATOM 888 O PRO A 56 -7.144 -7.568 -7.127 1.00 0.00 O ATOM 889 CB PRO A 56 -10.024 -8.346 -6.660 1.00 0.00 C ATOM 890 CG PRO A 56 -11.423 -8.061 -6.243 1.00 0.00 C ATOM 891 CD PRO A 56 -11.463 -6.597 -5.907 1.00 0.00 C ATOM 0 HA PRO A 56 -8.703 -7.864 -4.973 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.889 -8.181 -7.729 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.756 -9.384 -6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.125 -8.297 -7.043 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.705 -8.667 -5.382 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.731 -5.993 -6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.198 -6.383 -5.131 1.00 0.00 H new ATOM 899 N ALA A 57 -8.077 -5.522 -6.909 1.00 0.00 N ATOM 900 CA ALA A 57 -7.070 -4.812 -7.681 1.00 0.00 C ATOM 901 C ALA A 57 -5.660 -5.212 -7.254 1.00 0.00 C ATOM 902 O ALA A 57 -4.699 -5.024 -7.999 1.00 0.00 O ATOM 903 CB ALA A 57 -7.288 -3.316 -7.518 1.00 0.00 C ATOM 0 H ALA A 57 -8.824 -4.923 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.171 -5.080 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.537 -2.774 -8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.282 -3.052 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.201 -3.048 -6.465 1.00 0.00 H new ATOM 909 N LEU A 58 -5.545 -5.765 -6.048 1.00 0.00 N ATOM 910 CA LEU A 58 -4.258 -6.212 -5.530 1.00 0.00 C ATOM 911 C LEU A 58 -3.652 -7.267 -6.442 1.00 0.00 C ATOM 912 O LEU A 58 -2.507 -7.143 -6.872 1.00 0.00 O ATOM 913 CB LEU A 58 -4.418 -6.781 -4.118 1.00 0.00 C ATOM 914 CG LEU A 58 -4.070 -5.820 -2.979 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.571 -5.578 -2.923 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.809 -4.505 -3.147 1.00 0.00 C ATOM 0 H LEU A 58 -6.329 -5.913 -5.413 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.590 -5.351 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.450 -7.109 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.789 -7.667 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.383 -6.277 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.343 -4.892 -2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.056 -6.524 -2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.237 -5.144 -3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.549 -3.834 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.526 -4.047 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.884 -4.688 -3.139 1.00 0.00 H new ATOM 928 N ARG A 59 -4.436 -8.299 -6.745 1.00 0.00 N ATOM 929 CA ARG A 59 -3.979 -9.387 -7.603 1.00 0.00 C ATOM 930 C ARG A 59 -3.341 -8.847 -8.878 1.00 0.00 C ATOM 931 O ARG A 59 -2.440 -9.468 -9.442 1.00 0.00 O ATOM 932 CB ARG A 59 -5.148 -10.309 -7.956 1.00 0.00 C ATOM 933 CG ARG A 59 -5.831 -10.916 -6.741 1.00 0.00 C ATOM 934 CD ARG A 59 -7.006 -11.791 -7.143 1.00 0.00 C ATOM 935 NE ARG A 59 -6.596 -12.897 -8.005 1.00 0.00 N ATOM 936 CZ ARG A 59 -7.445 -13.764 -8.547 1.00 0.00 C ATOM 937 NH1 ARG A 59 -8.748 -13.653 -8.319 1.00 0.00 N ATOM 938 NH2 ARG A 59 -6.994 -14.742 -9.320 1.00 0.00 N ATOM 0 H ARG A 59 -5.393 -8.404 -6.408 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.227 -9.955 -7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.883 -9.747 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.786 -11.112 -8.598 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.111 -11.508 -6.176 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.177 -10.120 -6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.485 -12.188 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.749 -11.184 -7.661 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.602 -13.010 -8.202 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.100 -12.901 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.397 -14.320 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.994 -14.830 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.647 -15.406 -9.735 1.00 0.00 H new ATOM 952 N SER A 60 -3.813 -7.689 -9.328 1.00 0.00 N ATOM 953 CA SER A 60 -3.272 -7.071 -10.530 1.00 0.00 C ATOM 954 C SER A 60 -1.825 -6.647 -10.305 1.00 0.00 C ATOM 955 O SER A 60 -0.982 -6.781 -11.192 1.00 0.00 O ATOM 956 CB SER A 60 -4.114 -5.861 -10.937 1.00 0.00 C ATOM 957 OG SER A 60 -5.459 -6.233 -11.179 1.00 0.00 O ATOM 0 H SER A 60 -4.564 -7.163 -8.881 1.00 0.00 H new ATOM 0 HA SER A 60 -3.303 -7.805 -11.335 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.078 -5.108 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.693 -5.406 -11.833 1.00 0.00 H new ATOM 0 HG SER A 60 -5.976 -5.441 -11.436 1.00 0.00 H new ATOM 963 N LEU A 61 -1.545 -6.135 -9.108 1.00 0.00 N ATOM 964 CA LEU A 61 -0.199 -5.696 -8.763 1.00 0.00 C ATOM 965 C LEU A 61 0.716 -6.884 -8.489 1.00 0.00 C ATOM 966 O LEU A 61 1.887 -6.865 -8.871 1.00 0.00 O ATOM 967 CB LEU A 61 -0.226 -4.749 -7.567 1.00 0.00 C ATOM 968 CG LEU A 61 -0.698 -3.336 -7.891 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.214 -3.246 -7.814 1.00 0.00 C ATOM 970 CD2 LEU A 61 -0.040 -2.335 -6.960 1.00 0.00 C ATOM 0 H LEU A 61 -2.232 -6.015 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 61 0.203 -5.154 -9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.878 -5.170 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.775 -4.695 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.403 -3.094 -8.912 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.531 -2.230 -8.049 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.656 -3.938 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.543 -3.505 -6.808 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.386 -1.330 -7.203 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.303 -2.570 -5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.042 -2.384 -7.079 1.00 0.00 H new ATOM 982 N LEU A 62 0.194 -7.912 -7.817 1.00 0.00 N ATOM 983 CA LEU A 62 0.987 -9.103 -7.540 1.00 0.00 C ATOM 984 C LEU A 62 1.567 -9.616 -8.845 1.00 0.00 C ATOM 985 O LEU A 62 2.696 -10.102 -8.901 1.00 0.00 O ATOM 986 CB LEU A 62 0.125 -10.198 -6.902 1.00 0.00 C ATOM 987 CG LEU A 62 -0.202 -10.030 -5.410 1.00 0.00 C ATOM 988 CD1 LEU A 62 1.062 -9.875 -4.588 1.00 0.00 C ATOM 989 CD2 LEU A 62 -1.131 -8.853 -5.169 1.00 0.00 C ATOM 0 H LEU A 62 -0.761 -7.941 -7.460 1.00 0.00 H new ATOM 0 HA LEU A 62 1.784 -8.844 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.814 -10.257 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.633 -11.153 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.716 -10.937 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.800 -9.758 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.686 -10.760 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.610 -8.995 -4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.339 -8.766 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.657 -7.937 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.065 -9.010 -5.709 1.00 0.00 H new ATOM 1001 N HIS A 63 0.763 -9.494 -9.893 1.00 0.00 N ATOM 1002 CA HIS A 63 1.162 -9.916 -11.222 1.00 0.00 C ATOM 1003 C HIS A 63 2.307 -9.047 -11.728 1.00 0.00 C ATOM 1004 O HIS A 63 3.166 -9.508 -12.480 1.00 0.00 O ATOM 1005 CB HIS A 63 -0.035 -9.820 -12.168 1.00 0.00 C ATOM 1006 CG HIS A 63 0.261 -10.263 -13.568 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.005 -11.539 -14.024 1.00 0.00 N ATOM 1008 CD2 HIS A 63 0.790 -9.590 -14.617 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.363 -11.631 -15.292 1.00 0.00 C ATOM 1010 NE2 HIS A 63 0.841 -10.462 -15.676 1.00 0.00 N ATOM 0 H HIS A 63 -0.177 -9.102 -9.843 1.00 0.00 H new ATOM 0 HA HIS A 63 1.505 -10.950 -11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.849 -10.425 -11.770 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.386 -8.788 -12.190 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.112 -8.559 -14.620 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.279 -12.513 -15.910 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.191 -10.242 -16.608 1.00 0.00 H new ATOM 1019 N ARG A 64 2.310 -7.784 -11.306 1.00 0.00 N ATOM 1020 CA ARG A 64 3.352 -6.855 -11.709 1.00 0.00 C ATOM 1021 C ARG A 64 4.593 -7.027 -10.839 1.00 0.00 C ATOM 1022 O ARG A 64 5.631 -6.421 -11.102 1.00 0.00 O ATOM 1023 CB ARG A 64 2.837 -5.418 -11.614 1.00 0.00 C ATOM 1024 CG ARG A 64 1.617 -5.150 -12.479 1.00 0.00 C ATOM 1025 CD ARG A 64 1.951 -5.230 -13.960 1.00 0.00 C ATOM 1026 NE ARG A 64 0.789 -4.955 -14.800 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.839 -4.873 -16.126 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.991 -5.046 -16.762 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.263 -4.618 -16.818 1.00 0.00 N ATOM 0 H ARG A 64 1.603 -7.386 -10.687 1.00 0.00 H new ATOM 0 HA ARG A 64 3.625 -7.068 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.591 -5.197 -10.575 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.635 -4.735 -11.905 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.837 -5.873 -12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.217 -4.163 -12.249 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.742 -4.517 -14.192 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.338 -6.222 -14.191 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.113 -4.818 -14.343 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.841 -5.242 -16.233 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.026 -4.983 -17.779 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.150 -4.484 -16.333 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.223 -4.555 -17.835 1.00 0.00 H new ATOM 1043 N ASN A 65 4.472 -7.856 -9.802 1.00 0.00 N ATOM 1044 CA ASN A 65 5.581 -8.123 -8.892 1.00 0.00 C ATOM 1045 C ASN A 65 5.913 -6.901 -8.038 1.00 0.00 C ATOM 1046 O ASN A 65 7.012 -6.794 -7.494 1.00 0.00 O ATOM 1047 CB ASN A 65 6.818 -8.575 -9.670 1.00 0.00 C ATOM 1048 CG ASN A 65 7.660 -9.552 -8.879 1.00 0.00 C ATOM 1049 OD1 ASN A 65 8.884 -9.581 -9.005 1.00 0.00 O ATOM 1050 ND2 ASN A 65 7.002 -10.364 -8.060 1.00 0.00 N ATOM 0 H ASN A 65 3.613 -8.355 -9.572 1.00 0.00 H new ATOM 0 HA ASN A 65 5.270 -8.926 -8.223 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.508 -9.039 -10.606 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.421 -7.705 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.512 -11.049 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.986 -10.303 -7.989 1.00 0.00 H new ATOM 1057 N LEU A 66 4.958 -5.984 -7.922 1.00 0.00 N ATOM 1058 CA LEU A 66 5.154 -4.783 -7.114 1.00 0.00 C ATOM 1059 C LEU A 66 4.766 -5.063 -5.673 1.00 0.00 C ATOM 1060 O LEU A 66 5.143 -4.335 -4.754 1.00 0.00 O ATOM 1061 CB LEU A 66 4.330 -3.612 -7.642 1.00 0.00 C ATOM 1062 CG LEU A 66 4.345 -3.408 -9.162 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.957 -1.982 -9.499 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.710 -3.731 -9.754 1.00 0.00 C ATOM 0 H LEU A 66 4.046 -6.047 -8.374 1.00 0.00 H new ATOM 0 HA LEU A 66 6.208 -4.512 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.296 -3.749 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.690 -2.698 -7.170 1.00 0.00 H new ATOM 0 HG LEU A 66 3.619 -4.093 -9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.971 -1.847 -10.581 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.955 -1.778 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.666 -1.294 -9.039 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.685 -3.576 -10.833 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.462 -3.079 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.961 -4.770 -9.543 1.00 0.00 H new ATOM 1076 N VAL A 67 4.005 -6.131 -5.495 1.00 0.00 N ATOM 1077 CA VAL A 67 3.555 -6.552 -4.178 1.00 0.00 C ATOM 1078 C VAL A 67 3.800 -8.046 -3.987 1.00 0.00 C ATOM 1079 O VAL A 67 4.158 -8.747 -4.934 1.00 0.00 O ATOM 1080 CB VAL A 67 2.060 -6.248 -3.974 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.854 -4.785 -3.622 1.00 0.00 C ATOM 1082 CG2 VAL A 67 1.283 -6.600 -5.225 1.00 0.00 C ATOM 0 H VAL A 67 3.683 -6.728 -6.256 1.00 0.00 H new ATOM 0 HA VAL A 67 4.127 -5.991 -3.439 1.00 0.00 H new ATOM 0 HB VAL A 67 1.693 -6.855 -3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.791 -4.591 -3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.390 -4.553 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.234 -4.159 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.226 -6.381 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.657 -6.012 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.406 -7.661 -5.443 1.00 0.00 H new ATOM 1092 N LEU A 68 3.606 -8.529 -2.767 1.00 0.00 N ATOM 1093 CA LEU A 68 3.820 -9.940 -2.465 1.00 0.00 C ATOM 1094 C LEU A 68 2.537 -10.593 -1.968 1.00 0.00 C ATOM 1095 O LEU A 68 1.852 -10.043 -1.117 1.00 0.00 O ATOM 1096 CB LEU A 68 4.906 -10.092 -1.404 1.00 0.00 C ATOM 1097 CG LEU A 68 5.395 -11.526 -1.189 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.160 -12.019 -2.407 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.257 -11.613 0.058 1.00 0.00 C ATOM 0 H LEU A 68 3.302 -7.967 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 68 4.133 -10.435 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.757 -9.471 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.527 -9.706 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 68 4.526 -12.169 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.499 -13.040 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.508 -11.996 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.022 -11.375 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.596 -12.640 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.121 -10.957 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.674 -11.304 0.926 1.00 0.00 H new ATOM 1111 N ARG A 69 2.227 -11.772 -2.500 1.00 0.00 N ATOM 1112 CA ARG A 69 1.019 -12.492 -2.096 1.00 0.00 C ATOM 1113 C ARG A 69 1.370 -13.720 -1.265 1.00 0.00 C ATOM 1114 O ARG A 69 2.445 -14.300 -1.417 1.00 0.00 O ATOM 1115 CB ARG A 69 0.192 -12.904 -3.312 1.00 0.00 C ATOM 1116 CG ARG A 69 1.019 -13.487 -4.440 1.00 0.00 C ATOM 1117 CD ARG A 69 0.161 -14.295 -5.399 1.00 0.00 C ATOM 1118 NE ARG A 69 0.945 -14.860 -6.493 1.00 0.00 N ATOM 1119 CZ ARG A 69 0.430 -15.621 -7.454 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -0.866 -15.906 -7.457 1.00 0.00 N ATOM 1121 NH2 ARG A 69 1.210 -16.098 -8.414 1.00 0.00 N ATOM 0 H ARG A 69 2.789 -12.248 -3.206 1.00 0.00 H new ATOM 0 HA ARG A 69 0.422 -11.815 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.553 -13.637 -3.003 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.351 -12.035 -3.683 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.514 -12.682 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.803 -14.122 -4.027 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.332 -15.100 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.624 -13.658 -5.807 1.00 0.00 H new ATOM 0 HE ARG A 69 1.945 -14.660 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.470 -15.541 -6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.258 -16.490 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.207 -15.881 -8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.813 -16.682 -9.151 1.00 0.00 H new ATOM 1135 N THR A 70 0.452 -14.111 -0.387 1.00 0.00 N ATOM 1136 CA THR A 70 0.680 -15.259 0.481 1.00 0.00 C ATOM 1137 C THR A 70 -0.511 -16.209 0.527 1.00 0.00 C ATOM 1138 O THR A 70 -1.464 -16.092 -0.244 1.00 0.00 O ATOM 1139 CB THR A 70 1.043 -14.860 1.922 1.00 0.00 C ATOM 1140 OG1 THR A 70 -0.127 -14.461 2.634 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.064 -13.736 1.934 1.00 0.00 C ATOM 0 H THR A 70 -0.450 -13.653 -0.259 1.00 0.00 H new ATOM 0 HA THR A 70 1.530 -15.772 0.032 1.00 0.00 H new ATOM 0 HB THR A 70 1.481 -15.729 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.436 -15.201 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.303 -13.473 2.964 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.970 -14.062 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.653 -12.865 1.423 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.403 -17.149 1.453 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.382 -18.206 1.687 1.00 0.00 C ATOM 1151 C HIS A 71 -2.807 -17.870 1.229 1.00 0.00 C ATOM 1152 O HIS A 71 -3.398 -18.655 0.490 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.405 -18.432 3.194 1.00 0.00 C ATOM 1154 CG HIS A 71 -1.084 -19.824 3.623 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.831 -20.926 3.266 1.00 0.00 N ATOM 1156 CD2 HIS A 71 -0.072 -20.285 4.391 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.291 -22.008 3.799 1.00 0.00 C ATOM 1158 NE2 HIS A 71 -0.222 -21.647 4.486 1.00 0.00 N ATOM 0 H HIS A 71 0.395 -17.201 2.086 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.082 -19.078 1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.694 -17.750 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.393 -18.169 3.572 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.709 -19.693 4.845 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.661 -23.017 3.691 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.392 -22.277 5.003 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.341 -16.731 1.701 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.708 -16.279 1.330 1.00 0.00 C ATOM 1169 C GLN A 72 -5.655 -16.386 2.533 1.00 0.00 C ATOM 1170 O GLN A 72 -5.917 -17.493 3.003 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.308 -17.039 0.137 1.00 0.00 C ATOM 1172 CG GLN A 72 -4.621 -16.742 -1.188 1.00 0.00 C ATOM 1173 CD GLN A 72 -5.230 -17.509 -2.345 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -6.160 -17.035 -2.999 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -4.709 -18.703 -2.603 1.00 0.00 N ATOM 0 H GLN A 72 -2.854 -16.102 2.340 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.602 -15.239 1.022 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.250 -18.110 0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.365 -16.787 0.052 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.682 -15.673 -1.393 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -3.563 -16.991 -1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.939 -19.057 -2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.079 -19.266 -3.369 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.192 -15.250 3.066 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.942 -13.879 2.567 1.00 0.00 C ATOM 1186 C PRO A 73 -4.467 -13.605 2.315 1.00 0.00 C ATOM 1187 O PRO A 73 -3.655 -13.591 3.239 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.463 -12.996 3.699 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.541 -13.801 4.330 1.00 0.00 C ATOM 1190 CD PRO A 73 -7.103 -15.239 4.227 1.00 0.00 C ATOM 0 HA PRO A 73 -6.426 -13.702 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.674 -12.759 4.413 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.845 -12.048 3.320 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.686 -13.511 5.371 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.492 -13.646 3.821 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.597 -15.569 5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.952 -15.905 4.075 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.134 -13.392 1.046 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.757 -13.170 0.656 1.00 0.00 C ATOM 1200 C ALA A 74 -2.167 -11.940 1.313 1.00 0.00 C ATOM 1201 O ALA A 74 -2.491 -10.810 0.948 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.653 -13.058 -0.858 1.00 0.00 C ATOM 0 H ALA A 74 -4.802 -13.370 0.275 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.179 -14.029 0.998 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.613 -12.891 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.010 -13.980 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.261 -12.222 -1.204 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.304 -12.168 2.291 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.635 -11.072 2.966 1.00 0.00 C ATOM 1210 C ARG A 75 0.159 -10.305 1.917 1.00 0.00 C ATOM 1211 O ARG A 75 0.920 -10.901 1.157 1.00 0.00 O ATOM 1212 CB ARG A 75 0.288 -11.629 4.055 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.413 -12.599 5.001 1.00 0.00 C ATOM 1214 CD ARG A 75 0.553 -13.621 5.589 1.00 0.00 C ATOM 1215 NE ARG A 75 0.020 -14.239 6.799 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.665 -15.170 7.497 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.860 -15.590 7.105 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.113 -15.684 8.588 1.00 0.00 N ATOM 0 H ARG A 75 -1.053 -13.096 2.632 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.352 -10.406 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.130 -12.136 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.698 -10.801 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.885 -12.040 5.809 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.208 -13.118 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.760 -14.393 4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.502 -13.135 5.817 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.898 -13.940 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.288 -15.199 6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.351 -16.304 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.807 -15.366 8.893 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.608 -16.398 9.122 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.013 -8.990 1.868 1.00 0.00 N ATOM 1233 CA TYR A 76 0.688 -8.222 0.853 1.00 0.00 C ATOM 1234 C TYR A 76 1.875 -7.450 1.407 1.00 0.00 C ATOM 1235 O TYR A 76 1.766 -6.728 2.398 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.293 -7.297 0.137 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.397 -8.061 -0.562 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.095 -9.044 -1.497 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.735 -7.820 -0.276 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.090 -9.760 -2.131 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.738 -8.534 -0.905 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.411 -9.503 -1.832 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.408 -10.215 -2.459 1.00 0.00 O ATOM 0 H TYR A 76 -0.610 -8.451 2.495 1.00 0.00 H new ATOM 0 HA TYR A 76 1.104 -8.929 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.732 -6.608 0.859 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.247 -6.694 -0.593 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.062 -9.252 -1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.996 -7.063 0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.835 -10.517 -2.857 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.773 -8.334 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.281 -9.911 -2.134 1.00 0.00 H new ATOM 1253 N SER A 77 3.012 -7.612 0.733 1.00 0.00 N ATOM 1254 CA SER A 77 4.239 -6.941 1.137 1.00 0.00 C ATOM 1255 C SER A 77 4.908 -6.290 -0.069 1.00 0.00 C ATOM 1256 O SER A 77 5.020 -6.902 -1.130 1.00 0.00 O ATOM 1257 CB SER A 77 5.199 -7.934 1.794 1.00 0.00 C ATOM 1258 OG SER A 77 6.402 -7.297 2.189 1.00 0.00 O ATOM 0 H SER A 77 3.106 -8.202 -0.094 1.00 0.00 H new ATOM 0 HA SER A 77 3.986 -6.167 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.721 -8.386 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.424 -8.742 1.098 1.00 0.00 H new ATOM 0 HG SER A 77 6.327 -7.005 3.121 1.00 0.00 H new ATOM 1264 N LEU A 78 5.356 -5.053 0.098 1.00 0.00 N ATOM 1265 CA LEU A 78 6.004 -4.327 -0.990 1.00 0.00 C ATOM 1266 C LEU A 78 7.219 -5.074 -1.532 1.00 0.00 C ATOM 1267 O LEU A 78 8.120 -5.436 -0.776 1.00 0.00 O ATOM 1268 CB LEU A 78 6.479 -2.958 -0.511 1.00 0.00 C ATOM 1269 CG LEU A 78 5.445 -1.837 -0.520 1.00 0.00 C ATOM 1270 CD1 LEU A 78 6.132 -0.511 -0.254 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.708 -1.788 -1.847 1.00 0.00 C ATOM 0 H LEU A 78 5.284 -4.532 0.972 1.00 0.00 H new ATOM 0 HA LEU A 78 5.260 -4.226 -1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.857 -3.065 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.320 -2.652 -1.134 1.00 0.00 H new ATOM 0 HG LEU A 78 4.714 -2.031 0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.392 0.290 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.622 -0.544 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.876 -0.325 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.976 -0.980 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.421 -1.613 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.197 -2.736 -2.015 1.00 0.00 H new ATOM 1283 N THR A 79 7.241 -5.304 -2.842 1.00 0.00 N ATOM 1284 CA THR A 79 8.391 -5.956 -3.449 1.00 0.00 C ATOM 1285 C THR A 79 9.378 -4.872 -3.903 1.00 0.00 C ATOM 1286 O THR A 79 9.106 -3.692 -3.702 1.00 0.00 O ATOM 1287 CB THR A 79 7.952 -6.844 -4.631 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.544 -6.729 -4.828 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.302 -8.304 -4.378 1.00 0.00 C ATOM 0 H THR A 79 6.493 -5.054 -3.489 1.00 0.00 H new ATOM 0 HA THR A 79 8.877 -6.607 -2.723 1.00 0.00 H new ATOM 0 HB THR A 79 8.482 -6.505 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.242 -7.428 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.981 -8.907 -5.227 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.380 -8.403 -4.249 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.796 -8.649 -3.476 1.00 0.00 H new ATOM 1297 N PRO A 80 10.531 -5.222 -4.510 1.00 0.00 N ATOM 1298 CA PRO A 80 11.515 -4.223 -4.952 1.00 0.00 C ATOM 1299 C PRO A 80 10.895 -3.023 -5.663 1.00 0.00 C ATOM 1300 O PRO A 80 11.149 -1.878 -5.289 1.00 0.00 O ATOM 1301 CB PRO A 80 12.377 -5.018 -5.923 1.00 0.00 C ATOM 1302 CG PRO A 80 12.374 -6.398 -5.365 1.00 0.00 C ATOM 1303 CD PRO A 80 11.004 -6.599 -4.775 1.00 0.00 C ATOM 0 HA PRO A 80 12.050 -3.787 -4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.965 -4.995 -6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.388 -4.614 -5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.577 -7.135 -6.142 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.148 -6.515 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.344 -7.123 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.045 -7.191 -3.861 1.00 0.00 H new ATOM 1311 N GLU A 81 10.087 -3.280 -6.682 1.00 0.00 N ATOM 1312 CA GLU A 81 9.460 -2.197 -7.426 1.00 0.00 C ATOM 1313 C GLU A 81 8.472 -1.424 -6.559 1.00 0.00 C ATOM 1314 O GLU A 81 8.457 -0.193 -6.576 1.00 0.00 O ATOM 1315 CB GLU A 81 8.756 -2.746 -8.665 1.00 0.00 C ATOM 1316 CG GLU A 81 9.679 -3.493 -9.611 1.00 0.00 C ATOM 1317 CD GLU A 81 8.972 -3.960 -10.867 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.946 -3.195 -11.854 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.443 -5.092 -10.865 1.00 0.00 O ATOM 0 H GLU A 81 9.852 -4.217 -7.010 1.00 0.00 H new ATOM 0 HA GLU A 81 10.245 -1.507 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.955 -3.414 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.290 -1.920 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.512 -2.846 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.102 -4.355 -9.095 1.00 0.00 H new ATOM 1326 N GLY A 82 7.646 -2.143 -5.804 1.00 0.00 N ATOM 1327 CA GLY A 82 6.685 -1.466 -4.950 1.00 0.00 C ATOM 1328 C GLY A 82 7.365 -0.634 -3.887 1.00 0.00 C ATOM 1329 O GLY A 82 6.830 0.380 -3.446 1.00 0.00 O ATOM 0 H GLY A 82 7.623 -3.162 -5.767 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.046 -0.826 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.038 -2.204 -4.475 1.00 0.00 H new ATOM 1333 N LEU A 83 8.549 -1.071 -3.475 1.00 0.00 N ATOM 1334 CA LEU A 83 9.315 -0.361 -2.464 1.00 0.00 C ATOM 1335 C LEU A 83 9.795 0.967 -3.023 1.00 0.00 C ATOM 1336 O LEU A 83 9.620 2.016 -2.404 1.00 0.00 O ATOM 1337 CB LEU A 83 10.515 -1.201 -2.019 1.00 0.00 C ATOM 1338 CG LEU A 83 10.713 -1.318 -0.504 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.893 0.051 0.130 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.541 -2.041 0.132 1.00 0.00 C ATOM 0 H LEU A 83 8.998 -1.916 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 83 8.675 -0.179 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.408 -2.204 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.418 -0.772 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 83 11.619 -1.897 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.031 -0.061 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.768 0.539 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.009 0.659 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.699 -2.115 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.623 -1.487 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.458 -3.042 -0.292 1.00 0.00 H new ATOM 1352 N GLU A 84 10.404 0.907 -4.203 1.00 0.00 N ATOM 1353 CA GLU A 84 10.905 2.120 -4.841 1.00 0.00 C ATOM 1354 C GLU A 84 9.763 3.075 -5.135 1.00 0.00 C ATOM 1355 O GLU A 84 9.812 4.249 -4.773 1.00 0.00 O ATOM 1356 CB GLU A 84 11.639 1.786 -6.141 1.00 0.00 C ATOM 1357 CG GLU A 84 12.833 0.870 -5.947 1.00 0.00 C ATOM 1358 CD GLU A 84 13.559 0.575 -7.244 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.196 -0.413 -7.917 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.491 1.332 -7.588 1.00 0.00 O ATOM 0 H GLU A 84 10.561 0.048 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 84 11.604 2.597 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.940 1.316 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.974 2.712 -6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.527 1.329 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.499 -0.067 -5.501 1.00 0.00 H new ATOM 1367 N LEU A 85 8.732 2.555 -5.788 1.00 0.00 N ATOM 1368 CA LEU A 85 7.583 3.368 -6.129 1.00 0.00 C ATOM 1369 C LEU A 85 6.965 3.968 -4.875 1.00 0.00 C ATOM 1370 O LEU A 85 6.654 5.155 -4.834 1.00 0.00 O ATOM 1371 CB LEU A 85 6.550 2.521 -6.872 1.00 0.00 C ATOM 1372 CG LEU A 85 6.326 2.899 -8.338 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.362 1.927 -8.997 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.805 4.324 -8.450 1.00 0.00 C ATOM 0 H LEU A 85 8.672 1.582 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 85 7.909 4.182 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.860 1.477 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.598 2.594 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 85 7.283 2.842 -8.857 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.214 2.211 -10.039 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.773 0.919 -8.951 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.406 1.953 -8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.652 4.574 -9.500 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.859 4.409 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.530 5.012 -8.015 1.00 0.00 H new ATOM 1386 N ALA A 86 6.809 3.143 -3.845 1.00 0.00 N ATOM 1387 CA ALA A 86 6.219 3.604 -2.592 1.00 0.00 C ATOM 1388 C ALA A 86 6.948 4.826 -2.057 1.00 0.00 C ATOM 1389 O ALA A 86 6.317 5.782 -1.609 1.00 0.00 O ATOM 1390 CB ALA A 86 6.224 2.494 -1.557 1.00 0.00 C ATOM 0 H ALA A 86 7.080 2.160 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 86 5.186 3.887 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.780 2.858 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.646 1.648 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.250 2.178 -1.368 1.00 0.00 H new ATOM 1396 N GLN A 87 8.278 4.791 -2.093 1.00 0.00 N ATOM 1397 CA GLN A 87 9.063 5.924 -1.625 1.00 0.00 C ATOM 1398 C GLN A 87 8.650 7.171 -2.390 1.00 0.00 C ATOM 1399 O GLN A 87 8.635 8.278 -1.853 1.00 0.00 O ATOM 1400 CB GLN A 87 10.558 5.662 -1.819 1.00 0.00 C ATOM 1401 CG GLN A 87 11.095 4.526 -0.966 1.00 0.00 C ATOM 1402 CD GLN A 87 12.577 4.285 -1.181 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.418 4.871 -0.498 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.903 3.419 -2.133 1.00 0.00 N ATOM 0 H GLN A 87 8.826 4.002 -2.436 1.00 0.00 H new ATOM 0 HA GLN A 87 8.877 6.069 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.745 5.436 -2.869 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.111 6.572 -1.586 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.916 4.750 0.086 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.545 3.613 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.172 2.957 -2.674 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.884 3.216 -2.323 1.00 0.00 H new ATOM 1413 N LYS A 88 8.312 6.964 -3.657 1.00 0.00 N ATOM 1414 CA LYS A 88 7.880 8.058 -4.514 1.00 0.00 C ATOM 1415 C LYS A 88 6.487 8.537 -4.118 1.00 0.00 C ATOM 1416 O LYS A 88 6.259 9.733 -3.931 1.00 0.00 O ATOM 1417 CB LYS A 88 7.881 7.598 -5.968 1.00 0.00 C ATOM 1418 CG LYS A 88 9.128 6.814 -6.350 1.00 0.00 C ATOM 1419 CD LYS A 88 9.087 6.345 -7.796 1.00 0.00 C ATOM 1420 CE LYS A 88 10.217 5.369 -8.096 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.205 4.925 -9.517 1.00 0.00 N ATOM 0 H LYS A 88 8.329 6.051 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 88 8.573 8.891 -4.396 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.002 6.979 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.795 8.469 -6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.009 7.437 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.229 5.951 -5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.128 5.867 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.161 7.205 -8.461 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.173 5.841 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.129 4.500 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.989 4.262 -9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.303 4.452 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.315 5.751 -10.140 1.00 0.00 H new ATOM 1435 N LEU A 89 5.556 7.595 -4.001 1.00 0.00 N ATOM 1436 CA LEU A 89 4.196 7.922 -3.609 1.00 0.00 C ATOM 1437 C LEU A 89 4.195 8.616 -2.255 1.00 0.00 C ATOM 1438 O LEU A 89 3.278 9.365 -1.919 1.00 0.00 O ATOM 1439 CB LEU A 89 3.357 6.646 -3.538 1.00 0.00 C ATOM 1440 CG LEU A 89 2.874 6.106 -4.886 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.044 5.776 -5.798 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.003 4.877 -4.682 1.00 0.00 C ATOM 0 H LEU A 89 5.721 6.603 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 89 3.765 8.594 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.944 5.872 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.488 6.837 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 89 2.281 6.884 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.669 5.395 -6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.632 6.676 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.671 5.020 -5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.667 4.504 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.579 4.103 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.137 5.141 -4.075 1.00 0.00 H new ATOM 1454 N ALA A 90 5.242 8.350 -1.488 1.00 0.00 N ATOM 1455 CA ALA A 90 5.386 8.928 -0.158 1.00 0.00 C ATOM 1456 C ALA A 90 5.836 10.384 -0.224 1.00 0.00 C ATOM 1457 O ALA A 90 5.525 11.179 0.661 1.00 0.00 O ATOM 1458 CB ALA A 90 6.368 8.106 0.660 1.00 0.00 C ATOM 0 H ALA A 90 6.008 7.735 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 90 4.410 8.908 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.471 8.544 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.000 7.084 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.339 8.100 0.164 1.00 0.00 H new ATOM 1464 N GLU A 91 6.574 10.723 -1.275 1.00 0.00 N ATOM 1465 CA GLU A 91 7.063 12.088 -1.448 1.00 0.00 C ATOM 1466 C GLU A 91 5.901 13.067 -1.380 1.00 0.00 C ATOM 1467 O GLU A 91 5.987 14.119 -0.746 1.00 0.00 O ATOM 1468 CB GLU A 91 7.781 12.244 -2.786 1.00 0.00 C ATOM 1469 CG GLU A 91 8.755 11.124 -3.072 1.00 0.00 C ATOM 1470 CD GLU A 91 9.423 11.259 -4.425 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.805 10.865 -5.436 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.566 11.761 -4.475 1.00 0.00 O ATOM 0 H GLU A 91 6.846 10.077 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 91 7.770 12.300 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.041 12.287 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.316 13.194 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.519 11.106 -2.295 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.229 10.170 -3.025 1.00 0.00 H new ATOM 1479 N SER A 92 4.816 12.701 -2.048 1.00 0.00 N ATOM 1480 CA SER A 92 3.620 13.525 -2.080 1.00 0.00 C ATOM 1481 C SER A 92 3.026 13.691 -0.682 1.00 0.00 C ATOM 1482 O SER A 92 2.390 14.701 -0.383 1.00 0.00 O ATOM 1483 CB SER A 92 2.596 12.893 -3.019 1.00 0.00 C ATOM 1484 OG SER A 92 1.424 13.684 -3.112 1.00 0.00 O ATOM 0 H SER A 92 4.742 11.833 -2.578 1.00 0.00 H new ATOM 0 HA SER A 92 3.888 14.516 -2.445 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.034 12.771 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.337 11.897 -2.660 1.00 0.00 H new ATOM 0 HG SER A 92 0.787 13.255 -3.721 1.00 0.00 H new ATOM 1490 N GLU A 93 3.242 12.691 0.170 1.00 0.00 N ATOM 1491 CA GLU A 93 2.732 12.734 1.531 1.00 0.00 C ATOM 1492 C GLU A 93 3.773 13.335 2.463 1.00 0.00 C ATOM 1493 O GLU A 93 3.538 13.486 3.663 1.00 0.00 O ATOM 1494 CB GLU A 93 2.398 11.320 2.002 1.00 0.00 C ATOM 1495 CG GLU A 93 1.653 10.492 0.973 1.00 0.00 C ATOM 1496 CD GLU A 93 0.226 10.960 0.765 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.672 10.464 1.478 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.006 11.822 -0.111 1.00 0.00 O ATOM 0 H GLU A 93 3.765 11.846 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 93 1.833 13.351 1.547 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.323 10.807 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.797 11.382 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.187 10.534 0.024 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.646 9.449 1.288 1.00 0.00 H new ATOM 1505 N GLY A 94 4.924 13.676 1.898 1.00 0.00 N ATOM 1506 CA GLY A 94 5.987 14.223 2.715 1.00 0.00 C ATOM 1507 C GLY A 94 6.737 13.111 3.413 1.00 0.00 C ATOM 1508 O GLY A 94 7.656 13.354 4.196 1.00 0.00 O ATOM 0 H GLY A 94 5.138 13.585 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.673 14.799 2.094 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.572 14.910 3.453 1.00 0.00 H new ATOM 1512 N LEU A 95 6.323 11.881 3.114 1.00 0.00 N ATOM 1513 CA LEU A 95 6.926 10.690 3.692 1.00 0.00 C ATOM 1514 C LEU A 95 6.780 10.695 5.209 1.00 0.00 C ATOM 1515 O LEU A 95 7.582 10.097 5.927 1.00 0.00 O ATOM 1516 CB LEU A 95 8.399 10.590 3.297 1.00 0.00 C ATOM 1517 CG LEU A 95 8.854 9.211 2.807 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.371 9.115 2.815 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.237 8.101 3.650 1.00 0.00 C ATOM 0 H LEU A 95 5.561 11.686 2.465 1.00 0.00 H new ATOM 0 HA LEU A 95 6.403 9.818 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.598 11.320 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.008 10.871 4.156 1.00 0.00 H new ATOM 0 HG LEU A 95 8.508 9.084 1.781 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.675 8.129 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.787 9.878 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.740 9.269 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.576 7.133 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.543 8.221 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.150 8.154 3.583 1.00 0.00 H new ATOM 1531 N SER A 96 5.737 11.365 5.685 1.00 0.00 N ATOM 1532 CA SER A 96 5.472 11.450 7.113 1.00 0.00 C ATOM 1533 C SER A 96 4.494 10.364 7.543 1.00 0.00 C ATOM 1534 O SER A 96 3.695 10.559 8.460 1.00 0.00 O ATOM 1535 CB SER A 96 4.907 12.830 7.459 1.00 0.00 C ATOM 1536 OG SER A 96 5.850 13.851 7.182 1.00 0.00 O ATOM 0 H SER A 96 5.061 11.857 5.101 1.00 0.00 H new ATOM 0 HA SER A 96 6.410 11.303 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.996 13.007 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.633 12.860 8.513 1.00 0.00 H new ATOM 0 HG SER A 96 5.465 14.723 7.410 1.00 0.00 H new ATOM 1542 N LEU A 97 4.571 9.213 6.882 1.00 0.00 N ATOM 1543 CA LEU A 97 3.684 8.104 7.206 1.00 0.00 C ATOM 1544 C LEU A 97 4.147 7.400 8.477 1.00 0.00 C ATOM 1545 O LEU A 97 3.569 7.590 9.548 1.00 0.00 O ATOM 1546 CB LEU A 97 3.624 7.107 6.045 1.00 0.00 C ATOM 1547 CG LEU A 97 3.073 7.663 4.728 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.092 8.570 4.051 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.670 6.527 3.802 1.00 0.00 C ATOM 0 H LEU A 97 5.231 9.026 6.127 1.00 0.00 H new ATOM 0 HA LEU A 97 2.685 8.506 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.628 6.724 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.009 6.260 6.348 1.00 0.00 H new ATOM 0 HG LEU A 97 2.189 8.259 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.676 8.952 3.118 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.331 9.405 4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.999 8.004 3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.280 6.938 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.540 5.905 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.900 5.922 4.282 1.00 0.00 H new