USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 797 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 148:sc= 0.234 (180deg=-1.31!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 15:sc= -0.37 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 98:sc= 0.856 USER MOD Single : A 28 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.3!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 0.926 (180deg=0.429) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.335 K(o=-0.33,f=-3.4!) USER MOD Single : A 43 SER OG : rot -70:sc= -2.93! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 62:sc= -3.77! USER MOD Single : A 61 HIS : no HD1:sc= -3.6! C(o=-3.6!,f=-3.5!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -112:sc= -2.11! (180deg=-3.94!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 27:sc= -1.22 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -100:sc= -0.101 (180deg=-0.314) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 107 SER OG : rot 32:sc= 0.6 USER MOD Single : B 108 THR OG1 : rot -29:sc= 0.921 USER MOD Single : B 109 ASN : amide:sc= -8.57! C(o=-8.6!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 2.201 3.988 -24.129 1.00 0.00 N ATOM 2 CA PRO A 6 1.313 4.888 -23.353 1.00 0.00 C ATOM 3 C PRO A 6 1.488 4.657 -21.849 1.00 0.00 C ATOM 4 O PRO A 6 2.388 3.966 -21.415 1.00 0.00 O ATOM 5 CB PRO A 6 -0.086 4.476 -23.797 1.00 0.00 C ATOM 6 CG PRO A 6 0.045 3.056 -24.257 1.00 0.00 C ATOM 7 CD PRO A 6 1.476 2.845 -24.690 1.00 0.00 C ATOM 0 HA PRO A 6 1.523 5.944 -23.525 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.799 4.559 -22.977 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.448 5.117 -24.600 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.217 2.368 -23.453 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.638 2.857 -25.083 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.870 1.901 -24.313 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.562 2.815 -25.776 1.00 0.00 H new ATOM 15 N TRP A 7 0.626 5.228 -21.053 1.00 0.00 N ATOM 16 CA TRP A 7 0.725 5.043 -19.578 1.00 0.00 C ATOM 17 C TRP A 7 0.821 3.549 -19.251 1.00 0.00 C ATOM 18 O TRP A 7 0.038 2.752 -19.727 1.00 0.00 O ATOM 19 CB TRP A 7 -0.573 5.644 -19.027 1.00 0.00 C ATOM 20 CG TRP A 7 -0.614 5.484 -17.543 1.00 0.00 C ATOM 21 CD1 TRP A 7 0.460 5.233 -16.767 1.00 0.00 C ATOM 22 CD2 TRP A 7 -1.759 5.567 -16.646 1.00 0.00 C ATOM 23 NE1 TRP A 7 0.049 5.146 -15.447 1.00 0.00 N ATOM 24 CE2 TRP A 7 -1.311 5.345 -15.322 1.00 0.00 C ATOM 25 CE3 TRP A 7 -3.132 5.805 -16.849 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -2.190 5.361 -14.239 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -4.020 5.823 -15.760 1.00 0.00 C ATOM 28 CH2 TRP A 7 -3.550 5.600 -14.458 1.00 0.00 C ATOM 0 H TRP A 7 -0.146 5.818 -21.363 1.00 0.00 H new ATOM 0 HA TRP A 7 1.606 5.518 -19.146 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -0.636 6.700 -19.290 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.434 5.151 -19.479 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.475 5.118 -17.118 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.675 4.958 -14.664 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.505 5.975 -17.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.822 5.190 -13.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.071 6.010 -15.927 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.238 5.613 -13.625 1.00 0.00 H new ATOM 39 N ALA A 8 1.775 3.162 -18.448 1.00 0.00 N ATOM 40 CA ALA A 8 1.918 1.717 -18.098 1.00 0.00 C ATOM 41 C ALA A 8 0.545 1.096 -17.833 1.00 0.00 C ATOM 42 O ALA A 8 0.345 -0.089 -18.000 1.00 0.00 O ATOM 43 CB ALA A 8 2.760 1.700 -16.826 1.00 0.00 C ATOM 0 H ALA A 8 2.462 3.782 -18.019 1.00 0.00 H new ATOM 0 HA ALA A 8 2.378 1.144 -18.903 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.911 0.670 -16.503 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.727 2.163 -17.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.245 2.255 -16.041 1.00 0.00 H new ATOM 49 N VAL A 9 -0.404 1.892 -17.425 1.00 0.00 N ATOM 50 CA VAL A 9 -1.766 1.349 -17.154 1.00 0.00 C ATOM 51 C VAL A 9 -2.654 1.549 -18.386 1.00 0.00 C ATOM 52 O VAL A 9 -2.423 2.430 -19.188 1.00 0.00 O ATOM 53 CB VAL A 9 -2.291 2.165 -15.971 1.00 0.00 C ATOM 54 CG1 VAL A 9 -3.790 1.912 -15.797 1.00 0.00 C ATOM 55 CG2 VAL A 9 -1.555 1.748 -14.695 1.00 0.00 C ATOM 0 H VAL A 9 -0.296 2.894 -17.267 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.756 0.282 -16.933 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.121 3.225 -16.161 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.162 2.494 -14.954 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.317 2.209 -16.704 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.961 0.852 -15.609 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.929 2.330 -13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.724 0.688 -14.508 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.487 1.930 -14.815 1.00 0.00 H new ATOM 65 N LYS A 10 -3.666 0.741 -18.546 1.00 0.00 N ATOM 66 CA LYS A 10 -4.553 0.900 -19.731 1.00 0.00 C ATOM 67 C LYS A 10 -5.701 1.851 -19.398 1.00 0.00 C ATOM 68 O LYS A 10 -5.969 2.122 -18.243 1.00 0.00 O ATOM 69 CB LYS A 10 -5.089 -0.503 -20.015 1.00 0.00 C ATOM 70 CG LYS A 10 -4.340 -1.106 -21.204 1.00 0.00 C ATOM 71 CD LYS A 10 -5.065 -2.366 -21.678 1.00 0.00 C ATOM 72 CE LYS A 10 -4.039 -3.402 -22.142 1.00 0.00 C ATOM 73 NZ LYS A 10 -4.255 -3.524 -23.610 1.00 0.00 N ATOM 0 H LYS A 10 -3.915 -0.018 -17.911 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.028 1.317 -20.590 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.966 -1.135 -19.136 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.157 -0.459 -20.229 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.281 -0.381 -22.016 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.317 -1.348 -20.918 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.671 -2.775 -20.870 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.745 -2.122 -22.494 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.022 -3.079 -21.918 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.188 -4.358 -21.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.587 -4.218 -24.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.229 -3.839 -23.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.100 -2.600 -24.062 1.00 0.00 H new ATOM 87 N PRO A 11 -6.348 2.322 -20.426 1.00 0.00 N ATOM 88 CA PRO A 11 -7.491 3.247 -20.245 1.00 0.00 C ATOM 89 C PRO A 11 -8.670 2.494 -19.638 1.00 0.00 C ATOM 90 O PRO A 11 -9.477 3.044 -18.915 1.00 0.00 O ATOM 91 CB PRO A 11 -7.809 3.703 -21.665 1.00 0.00 C ATOM 92 CG PRO A 11 -7.283 2.616 -22.546 1.00 0.00 C ATOM 93 CD PRO A 11 -6.088 2.033 -21.841 1.00 0.00 C ATOM 0 HA PRO A 11 -7.277 4.082 -19.577 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.881 3.840 -21.805 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.333 4.658 -21.889 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.043 1.853 -22.716 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.003 3.010 -23.523 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.999 0.962 -22.022 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.159 2.492 -22.180 1.00 0.00 H new ATOM 101 N GLU A 12 -8.765 1.232 -19.930 1.00 0.00 N ATOM 102 CA GLU A 12 -9.882 0.412 -19.378 1.00 0.00 C ATOM 103 C GLU A 12 -9.487 -0.127 -18.003 1.00 0.00 C ATOM 104 O GLU A 12 -10.322 -0.516 -17.210 1.00 0.00 O ATOM 105 CB GLU A 12 -10.076 -0.740 -20.371 1.00 0.00 C ATOM 106 CG GLU A 12 -9.773 -0.258 -21.792 1.00 0.00 C ATOM 107 CD GLU A 12 -10.602 -1.061 -22.795 1.00 0.00 C ATOM 108 OE1 GLU A 12 -10.212 -2.176 -23.099 1.00 0.00 O ATOM 109 OE2 GLU A 12 -11.613 -0.546 -23.243 1.00 0.00 O ATOM 0 H GLU A 12 -8.115 0.726 -20.531 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.799 0.989 -19.255 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.419 -1.570 -20.111 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.099 -1.113 -20.314 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.002 0.804 -21.883 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.711 -0.374 -22.007 1.00 0.00 H new ATOM 116 N ASP A 13 -8.214 -0.133 -17.714 1.00 0.00 N ATOM 117 CA ASP A 13 -7.748 -0.628 -16.390 1.00 0.00 C ATOM 118 C ASP A 13 -7.945 0.469 -15.354 1.00 0.00 C ATOM 119 O ASP A 13 -8.424 0.232 -14.264 1.00 0.00 O ATOM 120 CB ASP A 13 -6.262 -0.938 -16.575 1.00 0.00 C ATOM 121 CG ASP A 13 -6.070 -2.450 -16.706 1.00 0.00 C ATOM 122 OD1 ASP A 13 -7.052 -3.164 -16.589 1.00 0.00 O ATOM 123 OD2 ASP A 13 -4.945 -2.869 -16.922 1.00 0.00 O ATOM 0 H ASP A 13 -7.475 0.185 -18.341 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.295 -1.507 -16.049 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.882 -0.434 -17.464 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.692 -0.560 -15.726 1.00 0.00 H new ATOM 128 N LYS A 14 -7.596 1.673 -15.698 1.00 0.00 N ATOM 129 CA LYS A 14 -7.782 2.795 -14.744 1.00 0.00 C ATOM 130 C LYS A 14 -9.277 3.032 -14.546 1.00 0.00 C ATOM 131 O LYS A 14 -9.727 3.418 -13.487 1.00 0.00 O ATOM 132 CB LYS A 14 -7.118 4.001 -15.409 1.00 0.00 C ATOM 133 CG LYS A 14 -7.686 5.300 -14.832 1.00 0.00 C ATOM 134 CD LYS A 14 -7.325 5.405 -13.351 1.00 0.00 C ATOM 135 CE LYS A 14 -6.684 6.768 -13.081 1.00 0.00 C ATOM 136 NZ LYS A 14 -7.675 7.761 -13.580 1.00 0.00 N ATOM 0 H LYS A 14 -7.190 1.929 -16.598 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.348 2.600 -13.763 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.040 3.965 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.284 3.969 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.287 6.156 -15.375 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.769 5.321 -14.955 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.218 5.283 -12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.637 4.606 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.485 6.908 -12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.730 6.866 -13.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.623 8.624 -13.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.463 7.995 -14.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.632 7.359 -13.516 1.00 0.00 H new ATOM 150 N ALA A 15 -10.049 2.781 -15.568 1.00 0.00 N ATOM 151 CA ALA A 15 -11.522 2.966 -15.454 1.00 0.00 C ATOM 152 C ALA A 15 -12.029 2.102 -14.310 1.00 0.00 C ATOM 153 O ALA A 15 -12.881 2.498 -13.540 1.00 0.00 O ATOM 154 CB ALA A 15 -12.096 2.487 -16.788 1.00 0.00 C ATOM 0 H ALA A 15 -9.722 2.455 -16.478 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.810 3.998 -15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.181 2.594 -16.777 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -11.681 3.086 -17.599 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -11.836 1.439 -16.941 1.00 0.00 H new ATOM 160 N LYS A 16 -11.482 0.929 -14.181 1.00 0.00 N ATOM 161 CA LYS A 16 -11.895 0.033 -13.068 1.00 0.00 C ATOM 162 C LYS A 16 -11.206 0.533 -11.815 1.00 0.00 C ATOM 163 O LYS A 16 -11.806 0.681 -10.768 1.00 0.00 O ATOM 164 CB LYS A 16 -11.399 -1.364 -13.451 1.00 0.00 C ATOM 165 CG LYS A 16 -11.530 -1.551 -14.961 1.00 0.00 C ATOM 166 CD LYS A 16 -12.223 -2.881 -15.266 1.00 0.00 C ATOM 167 CE LYS A 16 -11.212 -3.857 -15.870 1.00 0.00 C ATOM 168 NZ LYS A 16 -11.660 -5.203 -15.418 1.00 0.00 N ATOM 0 H LYS A 16 -10.765 0.550 -14.800 1.00 0.00 H new ATOM 0 HA LYS A 16 -12.971 0.013 -12.894 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.360 -1.489 -13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.979 -2.124 -12.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.101 -0.727 -15.389 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.544 -1.531 -15.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.648 -3.299 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.049 -2.722 -15.959 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.200 -3.790 -16.958 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.201 -3.641 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.015 -5.928 -15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.655 -5.240 -14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.623 -5.383 -15.766 1.00 0.00 H new ATOM 182 N TYR A 17 -9.948 0.843 -11.937 1.00 0.00 N ATOM 183 CA TYR A 17 -9.218 1.389 -10.777 1.00 0.00 C ATOM 184 C TYR A 17 -9.992 2.602 -10.283 1.00 0.00 C ATOM 185 O TYR A 17 -9.908 2.990 -9.136 1.00 0.00 O ATOM 186 CB TYR A 17 -7.857 1.830 -11.318 1.00 0.00 C ATOM 187 CG TYR A 17 -7.142 0.680 -11.994 1.00 0.00 C ATOM 188 CD1 TYR A 17 -7.674 -0.615 -11.960 1.00 0.00 C ATOM 189 CD2 TYR A 17 -5.925 0.916 -12.648 1.00 0.00 C ATOM 190 CE1 TYR A 17 -6.993 -1.668 -12.583 1.00 0.00 C ATOM 191 CE2 TYR A 17 -5.242 -0.136 -13.267 1.00 0.00 C ATOM 192 CZ TYR A 17 -5.777 -1.430 -13.235 1.00 0.00 C ATOM 193 OH TYR A 17 -5.106 -2.470 -13.844 1.00 0.00 O ATOM 0 H TYR A 17 -9.399 0.740 -12.791 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.104 0.674 -9.962 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.991 2.647 -12.027 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.245 2.214 -10.502 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.609 -0.801 -11.453 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.513 1.914 -12.674 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.406 -2.665 -12.561 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -4.304 0.049 -13.769 1.00 0.00 H new ATOM 0 HH TYR A 17 -5.708 -3.237 -13.939 1.00 0.00 H new ATOM 203 N ASP A 18 -10.750 3.205 -11.163 1.00 0.00 N ATOM 204 CA ASP A 18 -11.540 4.406 -10.764 1.00 0.00 C ATOM 205 C ASP A 18 -12.896 3.990 -10.191 1.00 0.00 C ATOM 206 O ASP A 18 -13.570 4.768 -9.545 1.00 0.00 O ATOM 207 CB ASP A 18 -11.726 5.209 -12.051 1.00 0.00 C ATOM 208 CG ASP A 18 -10.703 6.346 -12.101 1.00 0.00 C ATOM 209 OD1 ASP A 18 -10.025 6.551 -11.108 1.00 0.00 O ATOM 210 OD2 ASP A 18 -10.616 6.992 -13.131 1.00 0.00 O ATOM 0 H ASP A 18 -10.855 2.918 -12.136 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.036 4.986 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.604 4.559 -12.918 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.737 5.614 -12.096 1.00 0.00 H new ATOM 215 N ALA A 19 -13.291 2.763 -10.391 1.00 0.00 N ATOM 216 CA ALA A 19 -14.589 2.307 -9.820 1.00 0.00 C ATOM 217 C ALA A 19 -14.291 1.665 -8.477 1.00 0.00 C ATOM 218 O ALA A 19 -15.076 1.708 -7.551 1.00 0.00 O ATOM 219 CB ALA A 19 -15.138 1.282 -10.813 1.00 0.00 C ATOM 0 H ALA A 19 -12.775 2.061 -10.921 1.00 0.00 H new ATOM 0 HA ALA A 19 -15.311 3.109 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.095 0.904 -10.454 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -15.276 1.755 -11.785 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.434 0.455 -10.909 1.00 0.00 H new ATOM 225 N ILE A 20 -13.123 1.105 -8.368 1.00 0.00 N ATOM 226 CA ILE A 20 -12.694 0.488 -7.099 1.00 0.00 C ATOM 227 C ILE A 20 -12.218 1.608 -6.175 1.00 0.00 C ATOM 228 O ILE A 20 -12.375 1.560 -4.971 1.00 0.00 O ATOM 229 CB ILE A 20 -11.536 -0.417 -7.514 1.00 0.00 C ATOM 230 CG1 ILE A 20 -12.085 -1.653 -8.230 1.00 0.00 C ATOM 231 CG2 ILE A 20 -10.748 -0.849 -6.286 1.00 0.00 C ATOM 232 CD1 ILE A 20 -10.951 -2.343 -8.991 1.00 0.00 C ATOM 0 H ILE A 20 -12.439 1.051 -9.122 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.470 -0.069 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 20 -10.877 0.132 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.524 -2.341 -7.507 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -12.879 -1.365 -8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.924 -1.494 -6.591 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -10.352 0.031 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.403 -1.394 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -11.339 -3.224 -9.502 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -10.532 -1.653 -9.724 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -10.173 -2.644 -8.290 1.00 0.00 H new ATOM 244 N PHE A 21 -11.649 2.630 -6.756 1.00 0.00 N ATOM 245 CA PHE A 21 -11.161 3.789 -5.960 1.00 0.00 C ATOM 246 C PHE A 21 -12.360 4.522 -5.350 1.00 0.00 C ATOM 247 O PHE A 21 -12.309 5.014 -4.240 1.00 0.00 O ATOM 248 CB PHE A 21 -10.422 4.659 -6.990 1.00 0.00 C ATOM 249 CG PHE A 21 -10.577 6.127 -6.671 1.00 0.00 C ATOM 250 CD1 PHE A 21 -11.789 6.777 -6.932 1.00 0.00 C ATOM 251 CD2 PHE A 21 -9.504 6.840 -6.124 1.00 0.00 C ATOM 252 CE1 PHE A 21 -11.928 8.139 -6.644 1.00 0.00 C ATOM 253 CE2 PHE A 21 -9.641 8.201 -5.839 1.00 0.00 C ATOM 254 CZ PHE A 21 -10.854 8.852 -6.099 1.00 0.00 C ATOM 0 H PHE A 21 -11.501 2.710 -7.762 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.512 3.515 -5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -9.364 4.396 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.812 4.457 -7.988 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.617 6.227 -7.356 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -8.569 6.338 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.864 8.640 -6.842 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.812 8.751 -5.418 1.00 0.00 H new ATOM 0 HZ PHE A 21 -10.960 9.904 -5.879 1.00 0.00 H new ATOM 264 N ASP A 22 -13.435 4.591 -6.080 1.00 0.00 N ATOM 265 CA ASP A 22 -14.655 5.280 -5.578 1.00 0.00 C ATOM 266 C ASP A 22 -15.559 4.289 -4.841 1.00 0.00 C ATOM 267 O ASP A 22 -16.524 4.668 -4.207 1.00 0.00 O ATOM 268 CB ASP A 22 -15.342 5.804 -6.836 1.00 0.00 C ATOM 269 CG ASP A 22 -16.798 6.157 -6.525 1.00 0.00 C ATOM 270 OD1 ASP A 22 -17.020 6.891 -5.575 1.00 0.00 O ATOM 271 OD2 ASP A 22 -17.668 5.690 -7.242 1.00 0.00 O ATOM 0 H ASP A 22 -13.522 4.194 -7.016 1.00 0.00 H new ATOM 0 HA ASP A 22 -14.425 6.077 -4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.817 6.684 -7.208 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.301 5.052 -7.624 1.00 0.00 H new ATOM 276 N SER A 23 -15.249 3.023 -4.904 1.00 0.00 N ATOM 277 CA SER A 23 -16.087 2.020 -4.189 1.00 0.00 C ATOM 278 C SER A 23 -15.747 2.063 -2.702 1.00 0.00 C ATOM 279 O SER A 23 -16.451 1.531 -1.867 1.00 0.00 O ATOM 280 CB SER A 23 -15.708 0.667 -4.795 1.00 0.00 C ATOM 281 OG SER A 23 -15.357 -0.236 -3.753 1.00 0.00 O ATOM 0 H SER A 23 -14.455 2.641 -5.418 1.00 0.00 H new ATOM 0 HA SER A 23 -17.156 2.209 -4.291 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.543 0.268 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.872 0.786 -5.485 1.00 0.00 H new ATOM 0 HG SER A 23 -15.116 -1.104 -4.140 1.00 0.00 H new ATOM 287 N LEU A 24 -14.661 2.706 -2.376 1.00 0.00 N ATOM 288 CA LEU A 24 -14.238 2.814 -0.957 1.00 0.00 C ATOM 289 C LEU A 24 -14.781 4.113 -0.373 1.00 0.00 C ATOM 290 O LEU A 24 -15.456 4.112 0.635 1.00 0.00 O ATOM 291 CB LEU A 24 -12.707 2.865 -1.010 1.00 0.00 C ATOM 292 CG LEU A 24 -12.174 1.835 -2.010 1.00 0.00 C ATOM 293 CD1 LEU A 24 -10.708 2.137 -2.324 1.00 0.00 C ATOM 294 CD2 LEU A 24 -12.273 0.437 -1.407 1.00 0.00 C ATOM 0 H LEU A 24 -14.042 3.167 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.600 1.990 -0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.380 3.864 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.296 2.667 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.766 1.885 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.330 1.403 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.626 3.135 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.122 2.088 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.893 -0.295 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.682 0.393 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.315 0.213 -1.177 1.00 0.00 H new ATOM 306 N SER A 25 -14.472 5.206 -1.034 1.00 0.00 N ATOM 307 CA SER A 25 -14.916 6.584 -0.610 1.00 0.00 C ATOM 308 C SER A 25 -13.742 7.545 -0.776 1.00 0.00 C ATOM 309 O SER A 25 -12.888 7.636 0.084 1.00 0.00 O ATOM 310 CB SER A 25 -15.320 6.533 0.867 1.00 0.00 C ATOM 311 OG SER A 25 -16.658 6.062 0.975 1.00 0.00 O ATOM 0 H SER A 25 -13.908 5.202 -1.884 1.00 0.00 H new ATOM 0 HA SER A 25 -15.759 6.918 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.646 5.876 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.234 7.524 1.313 1.00 0.00 H new ATOM 0 HG SER A 25 -16.652 5.103 1.179 1.00 0.00 H new ATOM 317 N PRO A 26 -13.729 8.220 -1.885 1.00 0.00 N ATOM 318 CA PRO A 26 -12.633 9.172 -2.177 1.00 0.00 C ATOM 319 C PRO A 26 -12.746 10.408 -1.288 1.00 0.00 C ATOM 320 O PRO A 26 -13.825 10.852 -0.951 1.00 0.00 O ATOM 321 CB PRO A 26 -12.860 9.539 -3.636 1.00 0.00 C ATOM 322 CG PRO A 26 -14.317 9.308 -3.862 1.00 0.00 C ATOM 323 CD PRO A 26 -14.720 8.169 -2.960 1.00 0.00 C ATOM 0 HA PRO A 26 -11.644 8.753 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.589 10.577 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.254 8.922 -4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -14.891 10.205 -3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.513 9.063 -4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -15.733 8.298 -2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.695 7.214 -3.484 1.00 0.00 H new ATOM 331 N VAL A 27 -11.633 10.969 -0.921 1.00 0.00 N ATOM 332 CA VAL A 27 -11.652 12.186 -0.066 1.00 0.00 C ATOM 333 C VAL A 27 -11.035 13.351 -0.836 1.00 0.00 C ATOM 334 O VAL A 27 -9.830 13.491 -0.906 1.00 0.00 O ATOM 335 CB VAL A 27 -10.797 11.831 1.149 1.00 0.00 C ATOM 336 CG1 VAL A 27 -10.921 12.936 2.199 1.00 0.00 C ATOM 337 CG2 VAL A 27 -11.283 10.503 1.736 1.00 0.00 C ATOM 0 H VAL A 27 -10.704 10.636 -1.177 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.659 12.483 0.227 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.753 11.736 0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.311 12.684 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.577 13.880 1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.963 13.033 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.676 10.245 2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.326 10.599 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.194 9.719 0.984 1.00 0.00 H new ATOM 347 N ASN A 28 -11.851 14.174 -1.437 1.00 0.00 N ATOM 348 CA ASN A 28 -11.313 15.319 -2.226 1.00 0.00 C ATOM 349 C ASN A 28 -10.434 14.791 -3.371 1.00 0.00 C ATOM 350 O ASN A 28 -9.735 15.535 -4.028 1.00 0.00 O ATOM 351 CB ASN A 28 -10.500 16.151 -1.219 1.00 0.00 C ATOM 352 CG ASN A 28 -9.419 16.957 -1.947 1.00 0.00 C ATOM 353 OD1 ASN A 28 -9.723 17.827 -2.738 1.00 0.00 O ATOM 354 ND2 ASN A 28 -8.160 16.704 -1.708 1.00 0.00 N ATOM 0 H ASN A 28 -12.868 14.103 -1.416 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.094 15.922 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.162 16.825 -0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.039 15.494 -0.482 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.433 17.237 -2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.904 15.974 -1.044 1.00 0.00 H new ATOM 361 N GLY A 29 -10.474 13.508 -3.621 1.00 0.00 N ATOM 362 CA GLY A 29 -9.650 12.936 -4.720 1.00 0.00 C ATOM 363 C GLY A 29 -8.535 12.073 -4.124 1.00 0.00 C ATOM 364 O GLY A 29 -7.447 12.001 -4.652 1.00 0.00 O ATOM 0 H GLY A 29 -11.043 12.833 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.274 12.336 -5.383 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.222 13.737 -5.323 1.00 0.00 H new ATOM 368 N PHE A 30 -8.796 11.423 -3.022 1.00 0.00 N ATOM 369 CA PHE A 30 -7.740 10.569 -2.394 1.00 0.00 C ATOM 370 C PHE A 30 -8.332 9.394 -1.621 1.00 0.00 C ATOM 371 O PHE A 30 -9.399 9.479 -1.047 1.00 0.00 O ATOM 372 CB PHE A 30 -7.007 11.488 -1.423 1.00 0.00 C ATOM 373 CG PHE A 30 -6.195 12.468 -2.216 1.00 0.00 C ATOM 374 CD1 PHE A 30 -4.919 12.115 -2.660 1.00 0.00 C ATOM 375 CD2 PHE A 30 -6.723 13.723 -2.516 1.00 0.00 C ATOM 376 CE1 PHE A 30 -4.164 13.027 -3.408 1.00 0.00 C ATOM 377 CE2 PHE A 30 -5.976 14.634 -3.262 1.00 0.00 C ATOM 378 CZ PHE A 30 -4.692 14.289 -3.709 1.00 0.00 C ATOM 0 H PHE A 30 -9.689 11.444 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.092 10.142 -3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.720 12.013 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.362 10.906 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.515 11.141 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.711 13.990 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.176 12.758 -3.752 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.386 15.605 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.112 14.995 -4.284 1.00 0.00 H new ATOM 388 N LEU A 31 -7.603 8.316 -1.561 1.00 0.00 N ATOM 389 CA LEU A 31 -8.062 7.136 -0.778 1.00 0.00 C ATOM 390 C LEU A 31 -7.058 6.906 0.335 1.00 0.00 C ATOM 391 O LEU A 31 -5.867 6.967 0.121 1.00 0.00 O ATOM 392 CB LEU A 31 -8.052 5.936 -1.722 1.00 0.00 C ATOM 393 CG LEU A 31 -9.332 5.887 -2.550 1.00 0.00 C ATOM 394 CD1 LEU A 31 -9.442 4.505 -3.181 1.00 0.00 C ATOM 395 CD2 LEU A 31 -10.554 6.122 -1.661 1.00 0.00 C ATOM 0 H LEU A 31 -6.702 8.201 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.058 7.284 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.188 5.995 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.950 5.016 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.297 6.664 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.352 4.449 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.577 4.327 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.476 3.749 -2.397 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.458 6.084 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.599 5.350 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.476 7.100 -1.187 1.00 0.00 H new ATOM 407 N SER A 32 -7.512 6.648 1.513 1.00 0.00 N ATOM 408 CA SER A 32 -6.549 6.426 2.621 1.00 0.00 C ATOM 409 C SER A 32 -6.096 4.975 2.642 1.00 0.00 C ATOM 410 O SER A 32 -6.873 4.078 2.407 1.00 0.00 O ATOM 411 CB SER A 32 -7.315 6.774 3.896 1.00 0.00 C ATOM 412 OG SER A 32 -8.379 5.847 4.074 1.00 0.00 O ATOM 0 H SER A 32 -8.498 6.580 1.764 1.00 0.00 H new ATOM 0 HA SER A 32 -5.651 7.034 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.645 6.745 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.708 7.789 3.832 1.00 0.00 H new ATOM 0 HG SER A 32 -8.871 6.067 4.892 1.00 0.00 H new ATOM 418 N GLY A 33 -4.842 4.741 2.922 1.00 0.00 N ATOM 419 CA GLY A 33 -4.339 3.334 2.970 1.00 0.00 C ATOM 420 C GLY A 33 -5.389 2.451 3.647 1.00 0.00 C ATOM 421 O GLY A 33 -5.493 1.270 3.382 1.00 0.00 O ATOM 0 H GLY A 33 -4.145 5.459 3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.137 2.972 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.399 3.289 3.520 1.00 0.00 H new ATOM 425 N ASP A 34 -6.176 3.026 4.516 1.00 0.00 N ATOM 426 CA ASP A 34 -7.235 2.242 5.211 1.00 0.00 C ATOM 427 C ASP A 34 -8.248 1.700 4.194 1.00 0.00 C ATOM 428 O ASP A 34 -8.873 0.681 4.412 1.00 0.00 O ATOM 429 CB ASP A 34 -7.900 3.237 6.160 1.00 0.00 C ATOM 430 CG ASP A 34 -8.608 2.480 7.284 1.00 0.00 C ATOM 431 OD1 ASP A 34 -7.931 2.070 8.214 1.00 0.00 O ATOM 432 OD2 ASP A 34 -9.814 2.322 7.197 1.00 0.00 O ATOM 0 H ASP A 34 -6.130 4.011 4.775 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.833 1.380 5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.153 3.912 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.616 3.852 5.615 1.00 0.00 H new ATOM 437 N LYS A 35 -8.402 2.361 3.076 1.00 0.00 N ATOM 438 CA LYS A 35 -9.350 1.871 2.047 1.00 0.00 C ATOM 439 C LYS A 35 -8.568 1.066 1.013 1.00 0.00 C ATOM 440 O LYS A 35 -9.063 0.118 0.436 1.00 0.00 O ATOM 441 CB LYS A 35 -9.952 3.133 1.426 1.00 0.00 C ATOM 442 CG LYS A 35 -10.896 3.794 2.435 1.00 0.00 C ATOM 443 CD LYS A 35 -11.442 5.102 1.853 1.00 0.00 C ATOM 444 CE LYS A 35 -11.714 6.090 2.989 1.00 0.00 C ATOM 445 NZ LYS A 35 -11.856 7.416 2.325 1.00 0.00 N ATOM 0 H LYS A 35 -7.908 3.221 2.836 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.131 1.225 2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.160 3.826 1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.494 2.880 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.719 3.120 2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.366 3.993 3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.725 5.527 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.359 4.910 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.619 5.824 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.897 6.096 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.518 8.007 2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.928 7.885 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.220 7.284 1.360 1.00 0.00 H new ATOM 459 N VAL A 36 -7.336 1.437 0.786 1.00 0.00 N ATOM 460 CA VAL A 36 -6.505 0.688 -0.197 1.00 0.00 C ATOM 461 C VAL A 36 -5.904 -0.561 0.460 1.00 0.00 C ATOM 462 O VAL A 36 -5.941 -1.644 -0.091 1.00 0.00 O ATOM 463 CB VAL A 36 -5.397 1.657 -0.598 1.00 0.00 C ATOM 464 CG1 VAL A 36 -4.454 0.969 -1.586 1.00 0.00 C ATOM 465 CG2 VAL A 36 -6.016 2.891 -1.254 1.00 0.00 C ATOM 0 H VAL A 36 -6.871 2.224 1.238 1.00 0.00 H new ATOM 0 HA VAL A 36 -7.087 0.351 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.837 1.959 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.662 1.660 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -4.015 0.088 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.012 0.668 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.226 3.585 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.575 2.590 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.689 3.379 -0.549 1.00 0.00 H new ATOM 475 N LYS A 37 -5.345 -0.416 1.634 1.00 0.00 N ATOM 476 CA LYS A 37 -4.735 -1.592 2.324 1.00 0.00 C ATOM 477 C LYS A 37 -5.638 -2.827 2.195 1.00 0.00 C ATOM 478 O LYS A 37 -5.201 -3.864 1.744 1.00 0.00 O ATOM 479 CB LYS A 37 -4.582 -1.175 3.787 1.00 0.00 C ATOM 480 CG LYS A 37 -4.123 -2.379 4.613 1.00 0.00 C ATOM 481 CD LYS A 37 -5.218 -2.769 5.607 1.00 0.00 C ATOM 482 CE LYS A 37 -4.743 -2.471 7.031 1.00 0.00 C ATOM 483 NZ LYS A 37 -5.711 -3.178 7.915 1.00 0.00 N ATOM 0 H LYS A 37 -5.285 0.465 2.144 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.776 -1.866 1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.858 -0.364 3.872 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.530 -0.797 4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.899 -3.219 3.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.204 -2.137 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.132 -2.215 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.456 -3.828 5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.727 -2.830 7.191 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.737 -1.399 7.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.451 -3.021 8.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.669 -2.810 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.689 -4.197 7.708 1.00 0.00 H new ATOM 497 N PRO A 38 -6.878 -2.686 2.580 1.00 0.00 N ATOM 498 CA PRO A 38 -7.821 -3.826 2.473 1.00 0.00 C ATOM 499 C PRO A 38 -8.043 -4.161 0.998 1.00 0.00 C ATOM 500 O PRO A 38 -8.210 -5.305 0.622 1.00 0.00 O ATOM 501 CB PRO A 38 -9.097 -3.298 3.123 1.00 0.00 C ATOM 502 CG PRO A 38 -8.991 -1.815 3.002 1.00 0.00 C ATOM 503 CD PRO A 38 -7.528 -1.491 3.130 1.00 0.00 C ATOM 0 HA PRO A 38 -7.468 -4.740 2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -9.986 -3.675 2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -9.169 -3.607 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.384 -1.473 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.570 -1.318 3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.263 -0.594 2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.242 -1.317 4.167 1.00 0.00 H new ATOM 511 N VAL A 39 -8.028 -3.163 0.164 1.00 0.00 N ATOM 512 CA VAL A 39 -8.217 -3.388 -1.295 1.00 0.00 C ATOM 513 C VAL A 39 -7.025 -4.175 -1.851 1.00 0.00 C ATOM 514 O VAL A 39 -7.146 -4.924 -2.800 1.00 0.00 O ATOM 515 CB VAL A 39 -8.269 -1.974 -1.888 1.00 0.00 C ATOM 516 CG1 VAL A 39 -7.749 -1.974 -3.328 1.00 0.00 C ATOM 517 CG2 VAL A 39 -9.712 -1.467 -1.875 1.00 0.00 C ATOM 0 H VAL A 39 -7.891 -2.189 0.433 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.112 -3.963 -1.532 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.639 -1.321 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.794 -0.962 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.717 -2.325 -3.342 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.365 -2.635 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.748 -0.462 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.337 -2.133 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.080 -1.444 -0.849 1.00 0.00 H new ATOM 527 N LEU A 40 -5.873 -3.997 -1.268 1.00 0.00 N ATOM 528 CA LEU A 40 -4.666 -4.717 -1.758 1.00 0.00 C ATOM 529 C LEU A 40 -4.565 -6.091 -1.100 1.00 0.00 C ATOM 530 O LEU A 40 -3.968 -7.005 -1.632 1.00 0.00 O ATOM 531 CB LEU A 40 -3.497 -3.831 -1.341 1.00 0.00 C ATOM 532 CG LEU A 40 -3.661 -2.456 -1.981 1.00 0.00 C ATOM 533 CD1 LEU A 40 -2.514 -1.545 -1.542 1.00 0.00 C ATOM 534 CD2 LEU A 40 -3.645 -2.609 -3.502 1.00 0.00 C ATOM 0 H LEU A 40 -5.715 -3.381 -0.470 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.689 -4.889 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.463 -3.739 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.554 -4.281 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.607 -2.014 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.633 -0.563 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.526 -1.443 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.564 -1.979 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.762 -1.630 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.697 -3.048 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.465 -3.258 -3.811 1.00 0.00 H new ATOM 546 N LEU A 41 -5.152 -6.246 0.050 1.00 0.00 N ATOM 547 CA LEU A 41 -5.096 -7.562 0.733 1.00 0.00 C ATOM 548 C LEU A 41 -6.117 -8.501 0.108 1.00 0.00 C ATOM 549 O LEU A 41 -6.096 -9.697 0.325 1.00 0.00 O ATOM 550 CB LEU A 41 -5.455 -7.271 2.184 1.00 0.00 C ATOM 551 CG LEU A 41 -4.325 -6.480 2.829 1.00 0.00 C ATOM 552 CD1 LEU A 41 -4.884 -5.681 4.007 1.00 0.00 C ATOM 553 CD2 LEU A 41 -3.251 -7.457 3.320 1.00 0.00 C ATOM 0 H LEU A 41 -5.668 -5.519 0.546 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.119 -8.039 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.386 -6.706 2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.618 -8.203 2.725 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.884 -5.793 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.081 -5.112 4.474 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.654 -4.997 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.317 -6.364 4.738 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.437 -6.900 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.686 -8.139 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.865 -8.028 2.475 1.00 0.00 H new ATOM 565 N ASN A 42 -7.014 -7.966 -0.671 1.00 0.00 N ATOM 566 CA ASN A 42 -8.037 -8.829 -1.311 1.00 0.00 C ATOM 567 C ASN A 42 -7.492 -9.392 -2.628 1.00 0.00 C ATOM 568 O ASN A 42 -8.109 -10.223 -3.263 1.00 0.00 O ATOM 569 CB ASN A 42 -9.232 -7.911 -1.570 1.00 0.00 C ATOM 570 CG ASN A 42 -10.524 -8.620 -1.159 1.00 0.00 C ATOM 571 OD1 ASN A 42 -10.502 -9.768 -0.762 1.00 0.00 O ATOM 572 ND2 ASN A 42 -11.658 -7.978 -1.240 1.00 0.00 N ATOM 0 H ASN A 42 -7.081 -6.972 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.312 -9.680 -0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.120 -6.984 -1.008 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.274 -7.641 -2.625 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.526 -8.440 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.676 -7.014 -1.573 1.00 0.00 H new ATOM 579 N SER A 43 -6.336 -8.941 -3.039 1.00 0.00 N ATOM 580 CA SER A 43 -5.742 -9.445 -4.309 1.00 0.00 C ATOM 581 C SER A 43 -4.988 -10.752 -4.050 1.00 0.00 C ATOM 582 O SER A 43 -4.241 -11.226 -4.883 1.00 0.00 O ATOM 583 CB SER A 43 -4.776 -8.348 -4.753 1.00 0.00 C ATOM 584 OG SER A 43 -5.239 -7.093 -4.273 1.00 0.00 O ATOM 0 H SER A 43 -5.777 -8.243 -2.547 1.00 0.00 H new ATOM 0 HA SER A 43 -6.496 -9.655 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.776 -8.551 -4.369 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.703 -8.330 -5.840 1.00 0.00 H new ATOM 0 HG SER A 43 -6.051 -6.837 -4.758 1.00 0.00 H new ATOM 590 N LYS A 44 -5.172 -11.335 -2.897 1.00 0.00 N ATOM 591 CA LYS A 44 -4.461 -12.608 -2.582 1.00 0.00 C ATOM 592 C LYS A 44 -2.951 -12.363 -2.523 1.00 0.00 C ATOM 593 O LYS A 44 -2.159 -13.279 -2.607 1.00 0.00 O ATOM 594 CB LYS A 44 -4.803 -13.551 -3.736 1.00 0.00 C ATOM 595 CG LYS A 44 -4.532 -14.995 -3.312 1.00 0.00 C ATOM 596 CD LYS A 44 -3.585 -15.650 -4.317 1.00 0.00 C ATOM 597 CE LYS A 44 -2.769 -16.735 -3.612 1.00 0.00 C ATOM 598 NZ LYS A 44 -3.584 -17.975 -3.751 1.00 0.00 N ATOM 0 H LYS A 44 -5.784 -10.986 -2.159 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.758 -13.020 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.849 -13.434 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.207 -13.300 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.093 -15.016 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.467 -15.552 -3.261 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.153 -16.084 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.920 -14.902 -4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.788 -16.853 -4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.603 -16.486 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.091 -18.768 -3.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.510 -17.834 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.720 -18.190 -4.759 1.00 0.00 H new ATOM 612 N LEU A 45 -2.552 -11.129 -2.387 1.00 0.00 N ATOM 613 CA LEU A 45 -1.096 -10.814 -2.328 1.00 0.00 C ATOM 614 C LEU A 45 -0.651 -10.596 -0.884 1.00 0.00 C ATOM 615 O LEU A 45 -1.420 -10.145 -0.059 1.00 0.00 O ATOM 616 CB LEU A 45 -0.951 -9.523 -3.128 1.00 0.00 C ATOM 617 CG LEU A 45 -0.769 -9.859 -4.605 1.00 0.00 C ATOM 618 CD1 LEU A 45 -0.773 -8.566 -5.419 1.00 0.00 C ATOM 619 CD2 LEU A 45 0.564 -10.585 -4.804 1.00 0.00 C ATOM 0 H LEU A 45 -3.173 -10.323 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.482 -11.623 -2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.833 -8.897 -2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.096 -8.952 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.583 -10.503 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.643 -8.801 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.722 -8.049 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.043 -7.924 -5.087 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.694 -10.825 -5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.381 -9.943 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.568 -11.505 -4.220 1.00 0.00 H new ATOM 631 N PRO A 46 0.586 -10.920 -0.629 1.00 0.00 N ATOM 632 CA PRO A 46 1.144 -10.750 0.725 1.00 0.00 C ATOM 633 C PRO A 46 1.441 -9.268 0.987 1.00 0.00 C ATOM 634 O PRO A 46 1.299 -8.437 0.118 1.00 0.00 O ATOM 635 CB PRO A 46 2.423 -11.578 0.691 1.00 0.00 C ATOM 636 CG PRO A 46 2.821 -11.636 -0.747 1.00 0.00 C ATOM 637 CD PRO A 46 1.569 -11.471 -1.568 1.00 0.00 C ATOM 0 HA PRO A 46 0.469 -11.067 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.204 -11.119 1.296 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.255 -12.577 1.092 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.538 -10.849 -0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.306 -12.586 -0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.732 -10.800 -2.411 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.235 -12.424 -1.979 1.00 0.00 H new ATOM 645 N VAL A 47 1.853 -8.938 2.176 1.00 0.00 N ATOM 646 CA VAL A 47 2.158 -7.523 2.508 1.00 0.00 C ATOM 647 C VAL A 47 3.458 -7.101 1.818 1.00 0.00 C ATOM 648 O VAL A 47 3.877 -5.964 1.904 1.00 0.00 O ATOM 649 CB VAL A 47 2.303 -7.535 4.037 1.00 0.00 C ATOM 650 CG1 VAL A 47 3.251 -6.428 4.508 1.00 0.00 C ATOM 651 CG2 VAL A 47 0.927 -7.325 4.671 1.00 0.00 C ATOM 0 H VAL A 47 1.993 -9.598 2.941 1.00 0.00 H new ATOM 0 HA VAL A 47 1.397 -6.817 2.177 1.00 0.00 H new ATOM 0 HB VAL A 47 2.718 -8.496 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.336 -6.459 5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.235 -6.578 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.858 -5.458 4.202 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.022 -7.332 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.520 -6.366 4.349 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.257 -8.126 4.360 1.00 0.00 H new ATOM 661 N ASP A 48 4.094 -8.006 1.127 1.00 0.00 N ATOM 662 CA ASP A 48 5.354 -7.649 0.430 1.00 0.00 C ATOM 663 C ASP A 48 5.022 -7.028 -0.924 1.00 0.00 C ATOM 664 O ASP A 48 5.715 -6.157 -1.409 1.00 0.00 O ATOM 665 CB ASP A 48 6.112 -8.964 0.255 1.00 0.00 C ATOM 666 CG ASP A 48 6.678 -9.417 1.602 1.00 0.00 C ATOM 667 OD1 ASP A 48 5.901 -9.863 2.429 1.00 0.00 O ATOM 668 OD2 ASP A 48 7.880 -9.309 1.784 1.00 0.00 O ATOM 0 H ASP A 48 3.794 -8.975 1.017 1.00 0.00 H new ATOM 0 HA ASP A 48 5.950 -6.924 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.446 -9.728 -0.146 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.920 -8.836 -0.465 1.00 0.00 H new ATOM 673 N ILE A 49 3.947 -7.457 -1.527 1.00 0.00 N ATOM 674 CA ILE A 49 3.555 -6.874 -2.838 1.00 0.00 C ATOM 675 C ILE A 49 2.763 -5.601 -2.589 1.00 0.00 C ATOM 676 O ILE A 49 2.873 -4.629 -3.306 1.00 0.00 O ATOM 677 CB ILE A 49 2.667 -7.913 -3.517 1.00 0.00 C ATOM 678 CG1 ILE A 49 3.235 -9.314 -3.287 1.00 0.00 C ATOM 679 CG2 ILE A 49 2.619 -7.618 -5.014 1.00 0.00 C ATOM 680 CD1 ILE A 49 4.695 -9.350 -3.722 1.00 0.00 C ATOM 0 H ILE A 49 3.326 -8.183 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 49 4.419 -6.632 -3.456 1.00 0.00 H new ATOM 0 HB ILE A 49 1.662 -7.867 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.152 -9.583 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.659 -10.048 -3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.987 -8.355 -5.510 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.209 -6.621 -5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.626 -7.668 -5.427 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.099 -10.349 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.766 -9.100 -4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.266 -8.627 -3.139 1.00 0.00 H new ATOM 692 N LEU A 50 1.970 -5.606 -1.559 1.00 0.00 N ATOM 693 CA LEU A 50 1.168 -4.403 -1.230 1.00 0.00 C ATOM 694 C LEU A 50 2.077 -3.355 -0.599 1.00 0.00 C ATOM 695 O LEU A 50 1.844 -2.168 -0.703 1.00 0.00 O ATOM 696 CB LEU A 50 0.138 -4.883 -0.219 1.00 0.00 C ATOM 697 CG LEU A 50 -0.522 -6.169 -0.721 1.00 0.00 C ATOM 698 CD1 LEU A 50 -1.666 -6.552 0.220 1.00 0.00 C ATOM 699 CD2 LEU A 50 -1.063 -5.953 -2.136 1.00 0.00 C ATOM 0 H LEU A 50 1.843 -6.397 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 50 0.698 -3.954 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.616 -5.061 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.617 -4.113 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 50 0.214 -6.973 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.138 -7.468 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.273 -6.712 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.403 -5.749 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.532 -6.871 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.800 -5.150 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.243 -5.684 -2.802 1.00 0.00 H new ATOM 711 N GLY A 51 3.130 -3.790 0.035 1.00 0.00 N ATOM 712 CA GLY A 51 4.074 -2.817 0.647 1.00 0.00 C ATOM 713 C GLY A 51 4.857 -2.177 -0.485 1.00 0.00 C ATOM 714 O GLY A 51 5.359 -1.076 -0.375 1.00 0.00 O ATOM 0 H GLY A 51 3.376 -4.773 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.532 -2.061 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.746 -3.319 1.344 1.00 0.00 H new ATOM 718 N ARG A 52 4.945 -2.866 -1.583 1.00 0.00 N ATOM 719 CA ARG A 52 5.671 -2.324 -2.752 1.00 0.00 C ATOM 720 C ARG A 52 4.678 -1.774 -3.772 1.00 0.00 C ATOM 721 O ARG A 52 4.947 -0.801 -4.447 1.00 0.00 O ATOM 722 CB ARG A 52 6.417 -3.523 -3.328 1.00 0.00 C ATOM 723 CG ARG A 52 7.784 -3.081 -3.843 1.00 0.00 C ATOM 724 CD ARG A 52 8.369 -4.177 -4.734 1.00 0.00 C ATOM 725 NE ARG A 52 9.156 -5.043 -3.814 1.00 0.00 N ATOM 726 CZ ARG A 52 8.832 -6.298 -3.666 1.00 0.00 C ATOM 727 NH1 ARG A 52 8.319 -6.961 -4.665 1.00 0.00 N ATOM 728 NH2 ARG A 52 9.019 -6.888 -2.517 1.00 0.00 N ATOM 0 H ARG A 52 4.539 -3.792 -1.719 1.00 0.00 H new ATOM 0 HA ARG A 52 6.343 -1.508 -2.489 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.537 -4.290 -2.563 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.839 -3.968 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.690 -2.152 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.453 -2.881 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.582 -4.743 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.001 -3.755 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 52 9.947 -4.656 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.171 -6.498 -5.562 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.066 -7.942 -4.549 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.418 -6.368 -1.736 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.766 -7.869 -2.400 1.00 0.00 H new ATOM 742 N VAL A 53 3.524 -2.380 -3.894 1.00 0.00 N ATOM 743 CA VAL A 53 2.540 -1.864 -4.883 1.00 0.00 C ATOM 744 C VAL A 53 2.009 -0.516 -4.413 1.00 0.00 C ATOM 745 O VAL A 53 1.903 0.420 -5.180 1.00 0.00 O ATOM 746 CB VAL A 53 1.424 -2.908 -4.945 1.00 0.00 C ATOM 747 CG1 VAL A 53 0.203 -2.316 -5.657 1.00 0.00 C ATOM 748 CG2 VAL A 53 1.916 -4.129 -5.727 1.00 0.00 C ATOM 0 H VAL A 53 3.227 -3.196 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 53 2.980 -1.711 -5.868 1.00 0.00 H new ATOM 0 HB VAL A 53 1.149 -3.202 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.590 -3.062 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.150 -1.442 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.479 -2.022 -6.670 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.123 -4.875 -5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.190 -3.827 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.786 -4.555 -5.227 1.00 0.00 H new ATOM 758 N TRP A 54 1.682 -0.400 -3.157 1.00 0.00 N ATOM 759 CA TRP A 54 1.175 0.903 -2.661 1.00 0.00 C ATOM 760 C TRP A 54 2.248 1.974 -2.864 1.00 0.00 C ATOM 761 O TRP A 54 1.965 3.063 -3.312 1.00 0.00 O ATOM 762 CB TRP A 54 0.895 0.713 -1.165 1.00 0.00 C ATOM 763 CG TRP A 54 0.915 2.055 -0.502 1.00 0.00 C ATOM 764 CD1 TRP A 54 2.040 2.741 -0.205 1.00 0.00 C ATOM 765 CD2 TRP A 54 -0.200 2.889 -0.076 1.00 0.00 C ATOM 766 NE1 TRP A 54 1.694 3.948 0.355 1.00 0.00 N ATOM 767 CE2 TRP A 54 0.322 4.086 0.471 1.00 0.00 C ATOM 768 CE3 TRP A 54 -1.597 2.726 -0.111 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -0.515 5.088 0.965 1.00 0.00 C ATOM 770 CZ3 TRP A 54 -2.443 3.734 0.389 1.00 0.00 C ATOM 771 CH2 TRP A 54 -1.902 4.908 0.926 1.00 0.00 C ATOM 0 H TRP A 54 1.744 -1.143 -2.461 1.00 0.00 H new ATOM 0 HA TRP A 54 0.277 1.218 -3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.073 0.233 -1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.645 0.060 -0.720 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.049 2.397 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 54 2.367 4.656 0.649 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.022 1.823 -0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.095 5.995 1.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.514 3.601 0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.556 5.676 1.311 1.00 0.00 H new ATOM 782 N GLU A 55 3.475 1.687 -2.514 1.00 0.00 N ATOM 783 CA GLU A 55 4.541 2.715 -2.672 1.00 0.00 C ATOM 784 C GLU A 55 4.640 3.153 -4.130 1.00 0.00 C ATOM 785 O GLU A 55 4.519 4.320 -4.447 1.00 0.00 O ATOM 786 CB GLU A 55 5.827 2.038 -2.216 1.00 0.00 C ATOM 787 CG GLU A 55 5.781 1.814 -0.706 1.00 0.00 C ATOM 788 CD GLU A 55 6.436 3.003 -0.001 1.00 0.00 C ATOM 789 OE1 GLU A 55 5.760 4.001 0.185 1.00 0.00 O ATOM 790 OE2 GLU A 55 7.603 2.896 0.337 1.00 0.00 O ATOM 0 H GLU A 55 3.781 0.793 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 55 4.336 3.613 -2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.951 1.086 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.687 2.655 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.749 1.703 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.300 0.891 -0.447 1.00 0.00 H new ATOM 797 N LEU A 56 4.840 2.231 -5.026 1.00 0.00 N ATOM 798 CA LEU A 56 4.917 2.616 -6.463 1.00 0.00 C ATOM 799 C LEU A 56 3.572 3.221 -6.879 1.00 0.00 C ATOM 800 O LEU A 56 3.453 3.867 -7.902 1.00 0.00 O ATOM 801 CB LEU A 56 5.207 1.318 -7.226 1.00 0.00 C ATOM 802 CG LEU A 56 6.504 0.685 -6.705 1.00 0.00 C ATOM 803 CD1 LEU A 56 6.350 -0.836 -6.704 1.00 0.00 C ATOM 804 CD2 LEU A 56 7.682 1.077 -7.613 1.00 0.00 C ATOM 0 H LEU A 56 4.953 1.236 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 56 5.690 3.357 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.378 0.621 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.296 1.525 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 56 6.700 1.041 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.268 -1.294 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.519 -1.117 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.154 -1.183 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.599 0.623 -7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.493 0.724 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.790 2.162 -7.621 1.00 0.00 H new ATOM 816 N SER A 57 2.561 3.031 -6.065 1.00 0.00 N ATOM 817 CA SER A 57 1.217 3.604 -6.369 1.00 0.00 C ATOM 818 C SER A 57 1.063 4.948 -5.648 1.00 0.00 C ATOM 819 O SER A 57 0.362 5.833 -6.099 1.00 0.00 O ATOM 820 CB SER A 57 0.221 2.588 -5.813 1.00 0.00 C ATOM 821 OG SER A 57 -0.970 3.264 -5.434 1.00 0.00 O ATOM 0 H SER A 57 2.613 2.499 -5.197 1.00 0.00 H new ATOM 0 HA SER A 57 1.065 3.781 -7.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.000 1.829 -6.563 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.650 2.072 -4.954 1.00 0.00 H new ATOM 0 HG SER A 57 -1.369 3.689 -6.221 1.00 0.00 H new ATOM 827 N ASP A 58 1.717 5.098 -4.525 1.00 0.00 N ATOM 828 CA ASP A 58 1.624 6.370 -3.755 1.00 0.00 C ATOM 829 C ASP A 58 2.499 7.443 -4.405 1.00 0.00 C ATOM 830 O ASP A 58 3.617 7.679 -3.994 1.00 0.00 O ATOM 831 CB ASP A 58 2.147 6.024 -2.360 1.00 0.00 C ATOM 832 CG ASP A 58 1.349 6.801 -1.312 1.00 0.00 C ATOM 833 OD1 ASP A 58 0.676 7.746 -1.690 1.00 0.00 O ATOM 834 OD2 ASP A 58 1.422 6.436 -0.151 1.00 0.00 O ATOM 0 H ASP A 58 2.316 4.386 -4.107 1.00 0.00 H new ATOM 0 HA ASP A 58 0.608 6.764 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.057 4.953 -2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.206 6.272 -2.285 1.00 0.00 H new ATOM 839 N ILE A 59 2.000 8.090 -5.422 1.00 0.00 N ATOM 840 CA ILE A 59 2.807 9.144 -6.101 1.00 0.00 C ATOM 841 C ILE A 59 3.210 10.227 -5.096 1.00 0.00 C ATOM 842 O ILE A 59 4.286 10.788 -5.171 1.00 0.00 O ATOM 843 CB ILE A 59 1.886 9.728 -7.176 1.00 0.00 C ATOM 844 CG1 ILE A 59 1.432 8.616 -8.131 1.00 0.00 C ATOM 845 CG2 ILE A 59 2.640 10.800 -7.967 1.00 0.00 C ATOM 846 CD1 ILE A 59 2.632 8.078 -8.913 1.00 0.00 C ATOM 0 H ILE A 59 1.070 7.935 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 59 3.727 8.745 -6.529 1.00 0.00 H new ATOM 0 HB ILE A 59 1.013 10.172 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.963 7.809 -7.567 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.681 9.001 -8.821 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.985 11.216 -8.732 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.959 11.594 -7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.515 10.355 -8.441 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.302 7.289 -9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.082 8.886 -9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.369 7.675 -8.218 1.00 0.00 H new ATOM 858 N ASP A 60 2.352 10.526 -4.156 1.00 0.00 N ATOM 859 CA ASP A 60 2.683 11.574 -3.147 1.00 0.00 C ATOM 860 C ASP A 60 3.226 10.934 -1.870 1.00 0.00 C ATOM 861 O ASP A 60 3.860 11.583 -1.062 1.00 0.00 O ATOM 862 CB ASP A 60 1.360 12.282 -2.862 1.00 0.00 C ATOM 863 CG ASP A 60 0.673 12.628 -4.183 1.00 0.00 C ATOM 864 OD1 ASP A 60 1.258 13.370 -4.955 1.00 0.00 O ATOM 865 OD2 ASP A 60 -0.425 12.144 -4.400 1.00 0.00 O ATOM 0 H ASP A 60 1.437 10.090 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 60 3.448 12.261 -3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.715 11.642 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.538 13.189 -2.284 1.00 0.00 H new ATOM 870 N HIS A 61 2.981 9.668 -1.679 1.00 0.00 N ATOM 871 CA HIS A 61 3.484 8.993 -0.450 1.00 0.00 C ATOM 872 C HIS A 61 2.953 9.709 0.795 1.00 0.00 C ATOM 873 O HIS A 61 3.693 10.023 1.705 1.00 0.00 O ATOM 874 CB HIS A 61 5.008 9.110 -0.531 1.00 0.00 C ATOM 875 CG HIS A 61 5.498 8.439 -1.785 1.00 0.00 C ATOM 876 ND1 HIS A 61 5.850 7.098 -1.814 1.00 0.00 N ATOM 877 CD2 HIS A 61 5.701 8.907 -3.060 1.00 0.00 C ATOM 878 CE1 HIS A 61 6.242 6.809 -3.067 1.00 0.00 C ATOM 879 NE2 HIS A 61 6.171 7.877 -3.869 1.00 0.00 N ATOM 0 H HIS A 61 2.455 9.072 -2.319 1.00 0.00 H new ATOM 0 HA HIS A 61 3.160 7.955 -0.382 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.303 10.159 -0.528 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.466 8.648 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.523 9.921 -3.386 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.574 5.833 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.410 7.926 -4.859 1.00 0.00 H new ATOM 887 N ASP A 62 1.673 9.968 0.841 1.00 0.00 N ATOM 888 CA ASP A 62 1.096 10.661 2.026 1.00 0.00 C ATOM 889 C ASP A 62 0.120 9.730 2.746 1.00 0.00 C ATOM 890 O ASP A 62 -0.771 10.169 3.446 1.00 0.00 O ATOM 891 CB ASP A 62 0.365 11.878 1.457 1.00 0.00 C ATOM 892 CG ASP A 62 -0.844 11.416 0.642 1.00 0.00 C ATOM 893 OD1 ASP A 62 -0.682 10.516 -0.166 1.00 0.00 O ATOM 894 OD2 ASP A 62 -1.912 11.972 0.837 1.00 0.00 O ATOM 0 H ASP A 62 1.004 9.729 0.109 1.00 0.00 H new ATOM 0 HA ASP A 62 1.855 10.951 2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.042 12.532 2.267 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.040 12.459 0.828 1.00 0.00 H new ATOM 899 N GLY A 63 0.282 8.448 2.577 1.00 0.00 N ATOM 900 CA GLY A 63 -0.636 7.488 3.247 1.00 0.00 C ATOM 901 C GLY A 63 -1.997 7.522 2.554 1.00 0.00 C ATOM 902 O GLY A 63 -3.018 7.251 3.155 1.00 0.00 O ATOM 0 H GLY A 63 1.011 8.024 2.003 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.220 6.481 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.745 7.746 4.300 1.00 0.00 H new ATOM 906 N MET A 64 -2.022 7.854 1.290 1.00 0.00 N ATOM 907 CA MET A 64 -3.318 7.903 0.555 1.00 0.00 C ATOM 908 C MET A 64 -3.100 7.600 -0.933 1.00 0.00 C ATOM 909 O MET A 64 -2.005 7.723 -1.448 1.00 0.00 O ATOM 910 CB MET A 64 -3.827 9.333 0.711 1.00 0.00 C ATOM 911 CG MET A 64 -4.210 9.612 2.161 1.00 0.00 C ATOM 912 SD MET A 64 -4.561 11.376 2.360 1.00 0.00 S ATOM 913 CE MET A 64 -6.270 11.198 2.929 1.00 0.00 C ATOM 0 H MET A 64 -1.200 8.093 0.735 1.00 0.00 H new ATOM 0 HA MET A 64 -4.023 7.168 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.057 10.035 0.391 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.691 9.490 0.065 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.084 9.022 2.438 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.400 9.314 2.827 1.00 0.00 H new ATOM 0 HE1 MET A 64 -6.695 12.184 3.118 1.00 0.00 H new ATOM 0 HE2 MET A 64 -6.857 10.690 2.164 1.00 0.00 H new ATOM 0 HE3 MET A 64 -6.288 10.613 3.849 1.00 0.00 H new ATOM 923 N LEU A 65 -4.140 7.231 -1.632 1.00 0.00 N ATOM 924 CA LEU A 65 -3.998 6.945 -3.089 1.00 0.00 C ATOM 925 C LEU A 65 -5.002 7.782 -3.885 1.00 0.00 C ATOM 926 O LEU A 65 -6.192 7.542 -3.839 1.00 0.00 O ATOM 927 CB LEU A 65 -4.321 5.456 -3.251 1.00 0.00 C ATOM 928 CG LEU A 65 -3.089 4.600 -2.947 1.00 0.00 C ATOM 929 CD1 LEU A 65 -3.347 3.164 -3.411 1.00 0.00 C ATOM 930 CD2 LEU A 65 -1.870 5.160 -3.688 1.00 0.00 C ATOM 0 H LEU A 65 -5.081 7.115 -1.257 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.000 7.187 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.136 5.180 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.664 5.261 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.895 4.614 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.472 2.550 -3.197 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.211 2.761 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.541 3.158 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.997 4.546 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.060 5.149 -4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.685 6.184 -3.363 1.00 0.00 H new ATOM 942 N ASP A 66 -4.542 8.754 -4.625 1.00 0.00 N ATOM 943 CA ASP A 66 -5.493 9.578 -5.423 1.00 0.00 C ATOM 944 C ASP A 66 -6.068 8.732 -6.556 1.00 0.00 C ATOM 945 O ASP A 66 -5.603 7.644 -6.829 1.00 0.00 O ATOM 946 CB ASP A 66 -4.671 10.735 -5.987 1.00 0.00 C ATOM 947 CG ASP A 66 -5.606 11.873 -6.401 1.00 0.00 C ATOM 948 OD1 ASP A 66 -6.351 11.687 -7.348 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.563 12.911 -5.762 1.00 0.00 O ATOM 0 H ASP A 66 -3.559 9.011 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.327 9.942 -4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.960 11.088 -5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.090 10.397 -6.845 1.00 0.00 H new ATOM 954 N ARG A 67 -7.080 9.216 -7.210 1.00 0.00 N ATOM 955 CA ARG A 67 -7.687 8.427 -8.322 1.00 0.00 C ATOM 956 C ARG A 67 -6.607 7.961 -9.301 1.00 0.00 C ATOM 957 O ARG A 67 -6.644 6.853 -9.799 1.00 0.00 O ATOM 958 CB ARG A 67 -8.660 9.385 -9.006 1.00 0.00 C ATOM 959 CG ARG A 67 -7.881 10.476 -9.743 1.00 0.00 C ATOM 960 CD ARG A 67 -8.832 11.622 -10.102 1.00 0.00 C ATOM 961 NE ARG A 67 -8.055 12.865 -9.838 1.00 0.00 N ATOM 962 CZ ARG A 67 -8.512 14.021 -10.240 1.00 0.00 C ATOM 963 NH1 ARG A 67 -9.662 14.458 -9.802 1.00 0.00 N ATOM 964 NH2 ARG A 67 -7.819 14.739 -11.081 1.00 0.00 N ATOM 0 H ARG A 67 -7.516 10.120 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.188 7.529 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.290 8.838 -9.708 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.322 9.835 -8.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.069 10.845 -9.117 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.427 10.068 -10.646 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.143 11.565 -11.145 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.738 11.587 -9.497 1.00 0.00 H new ATOM 0 HE ARG A 67 -7.165 12.814 -9.343 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.204 13.897 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -10.018 15.361 -10.116 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.921 14.398 -11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.175 15.642 -11.395 1.00 0.00 H new ATOM 978 N ASP A 68 -5.646 8.794 -9.581 1.00 0.00 N ATOM 979 CA ASP A 68 -4.566 8.396 -10.528 1.00 0.00 C ATOM 980 C ASP A 68 -3.537 7.517 -9.817 1.00 0.00 C ATOM 981 O ASP A 68 -2.957 6.624 -10.403 1.00 0.00 O ATOM 982 CB ASP A 68 -3.932 9.710 -10.984 1.00 0.00 C ATOM 983 CG ASP A 68 -4.890 10.437 -11.929 1.00 0.00 C ATOM 984 OD1 ASP A 68 -5.198 9.881 -12.970 1.00 0.00 O ATOM 985 OD2 ASP A 68 -5.302 11.536 -11.595 1.00 0.00 O ATOM 0 H ASP A 68 -5.560 9.734 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.947 7.817 -11.369 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.709 10.338 -10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.986 9.514 -11.488 1.00 0.00 H new ATOM 990 N GLU A 69 -3.311 7.756 -8.556 1.00 0.00 N ATOM 991 CA GLU A 69 -2.328 6.923 -7.807 1.00 0.00 C ATOM 992 C GLU A 69 -2.931 5.550 -7.546 1.00 0.00 C ATOM 993 O GLU A 69 -2.286 4.533 -7.703 1.00 0.00 O ATOM 994 CB GLU A 69 -2.096 7.662 -6.493 1.00 0.00 C ATOM 995 CG GLU A 69 -1.648 9.088 -6.792 1.00 0.00 C ATOM 996 CD GLU A 69 -1.212 9.767 -5.493 1.00 0.00 C ATOM 997 OE1 GLU A 69 -0.098 9.519 -5.062 1.00 0.00 O ATOM 998 OE2 GLU A 69 -1.999 10.523 -4.951 1.00 0.00 O ATOM 0 H GLU A 69 -3.763 8.491 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.396 6.777 -8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.011 7.672 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.339 7.147 -5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.824 9.080 -7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.462 9.648 -7.252 1.00 0.00 H new ATOM 1005 N PHE A 70 -4.174 5.518 -7.162 1.00 0.00 N ATOM 1006 CA PHE A 70 -4.838 4.218 -6.908 1.00 0.00 C ATOM 1007 C PHE A 70 -4.788 3.378 -8.183 1.00 0.00 C ATOM 1008 O PHE A 70 -4.786 2.170 -8.140 1.00 0.00 O ATOM 1009 CB PHE A 70 -6.277 4.587 -6.544 1.00 0.00 C ATOM 1010 CG PHE A 70 -7.016 3.365 -6.054 1.00 0.00 C ATOM 1011 CD1 PHE A 70 -7.559 2.461 -6.972 1.00 0.00 C ATOM 1012 CD2 PHE A 70 -7.165 3.142 -4.679 1.00 0.00 C ATOM 1013 CE1 PHE A 70 -8.250 1.332 -6.516 1.00 0.00 C ATOM 1014 CE2 PHE A 70 -7.856 2.015 -4.224 1.00 0.00 C ATOM 1015 CZ PHE A 70 -8.398 1.110 -5.143 1.00 0.00 C ATOM 0 H PHE A 70 -4.759 6.341 -7.013 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.365 3.633 -6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.279 5.357 -5.773 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.785 5.005 -7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.445 2.633 -8.032 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.746 3.841 -3.970 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.669 0.633 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.971 1.843 -3.164 1.00 0.00 H new ATOM 0 HZ PHE A 70 -8.931 0.239 -4.792 1.00 0.00 H new ATOM 1025 N ALA A 71 -4.735 4.018 -9.321 1.00 0.00 N ATOM 1026 CA ALA A 71 -4.676 3.256 -10.605 1.00 0.00 C ATOM 1027 C ALA A 71 -3.352 2.504 -10.708 1.00 0.00 C ATOM 1028 O ALA A 71 -3.305 1.333 -11.043 1.00 0.00 O ATOM 1029 CB ALA A 71 -4.770 4.318 -11.701 1.00 0.00 C ATOM 0 H ALA A 71 -4.730 5.033 -9.418 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.473 2.516 -10.683 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.733 3.837 -12.678 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.709 4.863 -11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.935 5.013 -11.607 1.00 0.00 H new ATOM 1035 N VAL A 72 -2.279 3.176 -10.422 1.00 0.00 N ATOM 1036 CA VAL A 72 -0.946 2.524 -10.495 1.00 0.00 C ATOM 1037 C VAL A 72 -0.906 1.314 -9.555 1.00 0.00 C ATOM 1038 O VAL A 72 -0.142 0.383 -9.744 1.00 0.00 O ATOM 1039 CB VAL A 72 0.036 3.602 -10.026 1.00 0.00 C ATOM 1040 CG1 VAL A 72 1.466 3.061 -10.088 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -0.083 4.836 -10.929 1.00 0.00 C ATOM 0 H VAL A 72 -2.266 4.156 -10.139 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.709 2.160 -11.494 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.201 3.879 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.161 3.831 -9.754 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.553 2.188 -9.441 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.704 2.778 -11.113 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.617 5.601 -10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.149 4.558 -11.957 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.099 5.227 -10.879 1.00 0.00 H new ATOM 1051 N ALA A 73 -1.716 1.332 -8.531 1.00 0.00 N ATOM 1052 CA ALA A 73 -1.720 0.204 -7.555 1.00 0.00 C ATOM 1053 C ALA A 73 -2.706 -0.902 -7.952 1.00 0.00 C ATOM 1054 O ALA A 73 -2.722 -1.960 -7.355 1.00 0.00 O ATOM 1055 CB ALA A 73 -2.159 0.846 -6.243 1.00 0.00 C ATOM 0 H ALA A 73 -2.377 2.082 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.743 -0.276 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.192 0.088 -5.460 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.450 1.625 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.150 1.284 -6.366 1.00 0.00 H new ATOM 1061 N MET A 74 -3.533 -0.683 -8.940 1.00 0.00 N ATOM 1062 CA MET A 74 -4.500 -1.754 -9.321 1.00 0.00 C ATOM 1063 C MET A 74 -3.851 -2.735 -10.290 1.00 0.00 C ATOM 1064 O MET A 74 -3.980 -3.935 -10.147 1.00 0.00 O ATOM 1065 CB MET A 74 -5.686 -1.042 -9.984 1.00 0.00 C ATOM 1066 CG MET A 74 -6.288 0.048 -9.069 1.00 0.00 C ATOM 1067 SD MET A 74 -5.817 -0.189 -7.326 1.00 0.00 S ATOM 1068 CE MET A 74 -6.672 -1.756 -7.063 1.00 0.00 C ATOM 0 H MET A 74 -3.582 0.174 -9.491 1.00 0.00 H new ATOM 0 HA MET A 74 -4.821 -2.329 -8.453 1.00 0.00 H new ATOM 0 HB2 MET A 74 -5.361 -0.590 -10.921 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.455 -1.773 -10.233 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.953 1.029 -9.405 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.374 0.035 -9.156 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.501 -1.607 -6.371 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.056 -2.125 -8.014 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.977 -2.484 -6.645 1.00 0.00 H new ATOM 1078 N PHE A 75 -3.139 -2.249 -11.265 1.00 0.00 N ATOM 1079 CA PHE A 75 -2.479 -3.187 -12.209 1.00 0.00 C ATOM 1080 C PHE A 75 -1.248 -3.773 -11.521 1.00 0.00 C ATOM 1081 O PHE A 75 -0.831 -4.879 -11.801 1.00 0.00 O ATOM 1082 CB PHE A 75 -2.115 -2.351 -13.443 1.00 0.00 C ATOM 1083 CG PHE A 75 -0.772 -1.694 -13.255 1.00 0.00 C ATOM 1084 CD1 PHE A 75 0.397 -2.367 -13.631 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -0.698 -0.414 -12.707 1.00 0.00 C ATOM 1086 CE1 PHE A 75 1.642 -1.753 -13.456 1.00 0.00 C ATOM 1087 CE2 PHE A 75 0.542 0.198 -12.531 1.00 0.00 C ATOM 1088 CZ PHE A 75 1.714 -0.469 -12.905 1.00 0.00 C ATOM 0 H PHE A 75 -2.987 -1.257 -11.448 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.111 -4.024 -12.506 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.095 -2.987 -14.328 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.878 -1.591 -13.613 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.338 -3.358 -14.055 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.601 0.103 -12.419 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.545 -2.269 -13.746 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.598 1.189 -12.105 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.674 0.007 -12.768 1.00 0.00 H new ATOM 1098 N LEU A 76 -0.687 -3.045 -10.590 1.00 0.00 N ATOM 1099 CA LEU A 76 0.490 -3.571 -9.851 1.00 0.00 C ATOM 1100 C LEU A 76 0.025 -4.719 -8.958 1.00 0.00 C ATOM 1101 O LEU A 76 0.784 -5.595 -8.599 1.00 0.00 O ATOM 1102 CB LEU A 76 1.006 -2.397 -9.019 1.00 0.00 C ATOM 1103 CG LEU A 76 2.139 -1.704 -9.779 1.00 0.00 C ATOM 1104 CD1 LEU A 76 2.723 -0.579 -8.924 1.00 0.00 C ATOM 1105 CD2 LEU A 76 3.235 -2.724 -10.098 1.00 0.00 C ATOM 0 H LEU A 76 -0.995 -2.113 -10.313 1.00 0.00 H new ATOM 0 HA LEU A 76 1.274 -3.954 -10.504 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.198 -1.692 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.363 -2.750 -8.052 1.00 0.00 H new ATOM 0 HG LEU A 76 1.748 -1.285 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.529 -0.089 -9.469 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.943 0.148 -8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.113 -0.994 -7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.043 -2.232 -10.639 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.623 -3.144 -9.170 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.820 -3.523 -10.712 1.00 0.00 H new ATOM 1117 N VAL A 77 -1.235 -4.718 -8.617 1.00 0.00 N ATOM 1118 CA VAL A 77 -1.788 -5.805 -7.767 1.00 0.00 C ATOM 1119 C VAL A 77 -2.329 -6.922 -8.652 1.00 0.00 C ATOM 1120 O VAL A 77 -2.075 -8.083 -8.419 1.00 0.00 O ATOM 1121 CB VAL A 77 -2.921 -5.146 -6.977 1.00 0.00 C ATOM 1122 CG1 VAL A 77 -3.715 -6.216 -6.224 1.00 0.00 C ATOM 1123 CG2 VAL A 77 -2.330 -4.157 -5.974 1.00 0.00 C ATOM 0 H VAL A 77 -1.908 -4.004 -8.894 1.00 0.00 H new ATOM 0 HA VAL A 77 -1.040 -6.249 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.583 -4.621 -7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.521 -5.743 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.136 -6.925 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.054 -6.743 -5.536 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.135 -3.686 -5.410 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.668 -4.686 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.765 -3.392 -6.507 1.00 0.00 H new ATOM 1133 N TYR A 78 -3.076 -6.573 -9.664 1.00 0.00 N ATOM 1134 CA TYR A 78 -3.650 -7.609 -10.568 1.00 0.00 C ATOM 1135 C TYR A 78 -2.546 -8.326 -11.347 1.00 0.00 C ATOM 1136 O TYR A 78 -2.684 -9.474 -11.725 1.00 0.00 O ATOM 1137 CB TYR A 78 -4.552 -6.835 -11.529 1.00 0.00 C ATOM 1138 CG TYR A 78 -5.978 -6.916 -11.050 1.00 0.00 C ATOM 1139 CD1 TYR A 78 -6.553 -8.164 -10.786 1.00 0.00 C ATOM 1140 CD2 TYR A 78 -6.724 -5.747 -10.866 1.00 0.00 C ATOM 1141 CE1 TYR A 78 -7.877 -8.242 -10.338 1.00 0.00 C ATOM 1142 CE2 TYR A 78 -8.048 -5.824 -10.419 1.00 0.00 C ATOM 1143 CZ TYR A 78 -8.625 -7.072 -10.155 1.00 0.00 C ATOM 1144 OH TYR A 78 -9.931 -7.147 -9.715 1.00 0.00 O ATOM 0 H TYR A 78 -3.314 -5.611 -9.904 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.190 -8.375 -10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -4.234 -5.794 -11.585 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.470 -7.248 -12.534 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -5.976 -9.066 -10.928 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.278 -4.785 -11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.322 -9.205 -10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -8.624 -4.921 -10.278 1.00 0.00 H new ATOM 0 HH TYR A 78 -10.304 -6.244 -9.641 1.00 0.00 H new ATOM 1154 N CYS A 79 -1.454 -7.659 -11.599 1.00 0.00 N ATOM 1155 CA CYS A 79 -0.353 -8.304 -12.360 1.00 0.00 C ATOM 1156 C CYS A 79 0.466 -9.193 -11.436 1.00 0.00 C ATOM 1157 O CYS A 79 1.228 -10.029 -11.876 1.00 0.00 O ATOM 1158 CB CYS A 79 0.495 -7.149 -12.888 1.00 0.00 C ATOM 1159 SG CYS A 79 1.483 -7.717 -14.293 1.00 0.00 S ATOM 0 H CYS A 79 -1.278 -6.697 -11.310 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.721 -8.937 -13.168 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.147 -6.322 -13.192 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.147 -6.773 -12.100 1.00 0.00 H new ATOM 0 HG CYS A 79 0.874 -8.703 -14.881 1.00 0.00 H new ATOM 1165 N ALA A 80 0.307 -9.036 -10.155 1.00 0.00 N ATOM 1166 CA ALA A 80 1.070 -9.892 -9.219 1.00 0.00 C ATOM 1167 C ALA A 80 0.254 -11.145 -8.911 1.00 0.00 C ATOM 1168 O ALA A 80 0.726 -12.075 -8.289 1.00 0.00 O ATOM 1169 CB ALA A 80 1.276 -9.041 -7.968 1.00 0.00 C ATOM 0 H ALA A 80 -0.315 -8.355 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 80 2.026 -10.221 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.836 -9.612 -7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.832 -8.140 -8.228 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.307 -8.762 -7.554 1.00 0.00 H new ATOM 1175 N LEU A 81 -0.976 -11.170 -9.351 1.00 0.00 N ATOM 1176 CA LEU A 81 -1.843 -12.354 -9.098 1.00 0.00 C ATOM 1177 C LEU A 81 -1.710 -13.346 -10.239 1.00 0.00 C ATOM 1178 O LEU A 81 -1.598 -14.539 -10.035 1.00 0.00 O ATOM 1179 CB LEU A 81 -3.277 -11.817 -9.051 1.00 0.00 C ATOM 1180 CG LEU A 81 -3.318 -10.426 -8.422 1.00 0.00 C ATOM 1181 CD1 LEU A 81 -4.736 -10.141 -7.928 1.00 0.00 C ATOM 1182 CD2 LEU A 81 -2.340 -10.355 -7.245 1.00 0.00 C ATOM 0 H LEU A 81 -1.418 -10.416 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.567 -12.864 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.688 -11.776 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.906 -12.498 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.030 -9.683 -9.166 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.772 -9.149 -7.478 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.429 -10.184 -8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.019 -10.887 -7.186 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.375 -9.360 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.618 -11.096 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.329 -10.559 -7.599 1.00 0.00 H new ATOM 1194 N GLU A 82 -1.735 -12.863 -11.445 1.00 0.00 N ATOM 1195 CA GLU A 82 -1.622 -13.794 -12.603 1.00 0.00 C ATOM 1196 C GLU A 82 -0.196 -14.329 -12.717 1.00 0.00 C ATOM 1197 O GLU A 82 0.026 -15.523 -12.743 1.00 0.00 O ATOM 1198 CB GLU A 82 -2.017 -13.005 -13.867 1.00 0.00 C ATOM 1199 CG GLU A 82 -1.623 -11.527 -13.755 1.00 0.00 C ATOM 1200 CD GLU A 82 -1.179 -11.012 -15.125 1.00 0.00 C ATOM 1201 OE1 GLU A 82 -1.502 -11.655 -16.111 1.00 0.00 O ATOM 1202 OE2 GLU A 82 -0.525 -9.984 -15.167 1.00 0.00 O ATOM 0 H GLU A 82 -1.828 -11.875 -11.681 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.280 -14.654 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.533 -13.446 -14.738 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.093 -13.085 -14.025 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.467 -10.941 -13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.817 -11.408 -13.031 1.00 0.00 H new ATOM 1209 N LYS A 83 0.773 -13.463 -12.781 1.00 0.00 N ATOM 1210 CA LYS A 83 2.182 -13.945 -12.887 1.00 0.00 C ATOM 1211 C LYS A 83 3.156 -12.778 -13.087 1.00 0.00 C ATOM 1212 O LYS A 83 3.606 -12.529 -14.188 1.00 0.00 O ATOM 1213 CB LYS A 83 2.193 -14.865 -14.104 1.00 0.00 C ATOM 1214 CG LYS A 83 2.439 -16.306 -13.652 1.00 0.00 C ATOM 1215 CD LYS A 83 3.782 -16.791 -14.201 1.00 0.00 C ATOM 1216 CE LYS A 83 4.812 -16.827 -13.070 1.00 0.00 C ATOM 1217 NZ LYS A 83 5.766 -17.905 -13.451 1.00 0.00 N ATOM 0 H LYS A 83 0.656 -12.450 -12.765 1.00 0.00 H new ATOM 0 HA LYS A 83 2.501 -14.455 -11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.243 -14.796 -14.634 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.971 -14.554 -14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.437 -16.362 -12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.635 -16.952 -14.006 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.671 -17.783 -14.638 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.123 -16.128 -14.997 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.320 -15.868 -12.968 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.338 -17.040 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.503 -17.990 -12.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.255 -18.807 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.207 -17.672 -14.364 1.00 0.00 H new ATOM 1231 N GLU A 84 3.500 -12.058 -12.053 1.00 0.00 N ATOM 1232 CA GLU A 84 4.453 -10.927 -12.252 1.00 0.00 C ATOM 1233 C GLU A 84 4.852 -10.291 -10.913 1.00 0.00 C ATOM 1234 O GLU A 84 4.014 -9.812 -10.178 1.00 0.00 O ATOM 1235 CB GLU A 84 3.687 -9.923 -13.115 1.00 0.00 C ATOM 1236 CG GLU A 84 4.438 -9.705 -14.428 1.00 0.00 C ATOM 1237 CD GLU A 84 4.554 -8.206 -14.708 1.00 0.00 C ATOM 1238 OE1 GLU A 84 4.729 -7.457 -13.761 1.00 0.00 O ATOM 1239 OE2 GLU A 84 4.466 -7.832 -15.866 1.00 0.00 O ATOM 0 H GLU A 84 3.171 -12.199 -11.098 1.00 0.00 H new ATOM 0 HA GLU A 84 5.381 -11.257 -12.718 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.681 -10.292 -13.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.579 -8.977 -12.583 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.430 -10.153 -14.370 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.913 -10.199 -15.246 1.00 0.00 H new ATOM 1246 N PRO A 85 6.136 -10.295 -10.653 1.00 0.00 N ATOM 1247 CA PRO A 85 6.663 -9.698 -9.400 1.00 0.00 C ATOM 1248 C PRO A 85 6.611 -8.169 -9.481 1.00 0.00 C ATOM 1249 O PRO A 85 6.373 -7.603 -10.530 1.00 0.00 O ATOM 1250 CB PRO A 85 8.106 -10.191 -9.346 1.00 0.00 C ATOM 1251 CG PRO A 85 8.474 -10.480 -10.766 1.00 0.00 C ATOM 1252 CD PRO A 85 7.205 -10.855 -11.489 1.00 0.00 C ATOM 0 HA PRO A 85 6.091 -9.978 -8.515 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.764 -9.437 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 85 8.194 -11.084 -8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.937 -9.608 -11.228 1.00 0.00 H new ATOM 0 HG3 PRO A 85 9.200 -11.291 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.182 -10.439 -12.496 1.00 0.00 H new ATOM 0 HD3 PRO A 85 7.108 -11.936 -11.589 1.00 0.00 H new ATOM 1260 N VAL A 86 6.822 -7.494 -8.384 1.00 0.00 N ATOM 1261 CA VAL A 86 6.772 -6.003 -8.408 1.00 0.00 C ATOM 1262 C VAL A 86 8.075 -5.400 -7.861 1.00 0.00 C ATOM 1263 O VAL A 86 8.507 -5.737 -6.777 1.00 0.00 O ATOM 1264 CB VAL A 86 5.597 -5.640 -7.503 1.00 0.00 C ATOM 1265 CG1 VAL A 86 5.572 -4.129 -7.284 1.00 0.00 C ATOM 1266 CG2 VAL A 86 4.289 -6.082 -8.163 1.00 0.00 C ATOM 0 H VAL A 86 7.026 -7.908 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 86 6.654 -5.616 -9.420 1.00 0.00 H new ATOM 0 HB VAL A 86 5.708 -6.145 -6.543 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.733 -3.869 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.504 -3.814 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.461 -3.624 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.450 -5.823 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.177 -5.578 -9.123 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.307 -7.161 -8.320 1.00 0.00 H new ATOM 1276 N PRO A 87 8.652 -4.516 -8.635 1.00 0.00 N ATOM 1277 CA PRO A 87 9.906 -3.841 -8.232 1.00 0.00 C ATOM 1278 C PRO A 87 9.581 -2.599 -7.395 1.00 0.00 C ATOM 1279 O PRO A 87 8.500 -2.055 -7.480 1.00 0.00 O ATOM 1280 CB PRO A 87 10.528 -3.438 -9.563 1.00 0.00 C ATOM 1281 CG PRO A 87 9.382 -3.323 -10.526 1.00 0.00 C ATOM 1282 CD PRO A 87 8.199 -4.071 -9.952 1.00 0.00 C ATOM 0 HA PRO A 87 10.563 -4.466 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.063 -2.492 -9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.250 -4.182 -9.900 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.126 -2.276 -10.688 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.658 -3.737 -11.496 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.323 -3.428 -9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.920 -4.915 -10.582 1.00 0.00 H new ATOM 1290 N MET A 88 10.499 -2.143 -6.588 1.00 0.00 N ATOM 1291 CA MET A 88 10.210 -0.933 -5.760 1.00 0.00 C ATOM 1292 C MET A 88 10.488 0.333 -6.554 1.00 0.00 C ATOM 1293 O MET A 88 10.595 1.407 -5.998 1.00 0.00 O ATOM 1294 CB MET A 88 11.181 -0.978 -4.587 1.00 0.00 C ATOM 1295 CG MET A 88 10.866 -2.170 -3.683 1.00 0.00 C ATOM 1296 SD MET A 88 10.349 -1.573 -2.053 1.00 0.00 S ATOM 1297 CE MET A 88 10.775 -3.062 -1.116 1.00 0.00 C ATOM 0 H MET A 88 11.427 -2.548 -6.465 1.00 0.00 H new ATOM 0 HA MET A 88 9.167 -0.926 -5.445 1.00 0.00 H new ATOM 0 HB2 MET A 88 12.204 -1.053 -4.956 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.115 -0.052 -4.016 1.00 0.00 H new ATOM 0 HG2 MET A 88 10.077 -2.778 -4.126 1.00 0.00 H new ATOM 0 HG3 MET A 88 11.744 -2.809 -3.586 1.00 0.00 H new ATOM 0 HE1 MET A 88 9.875 -3.650 -0.938 1.00 0.00 H new ATOM 0 HE2 MET A 88 11.491 -3.657 -1.684 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.217 -2.777 -0.161 1.00 0.00 H new ATOM 1307 N SER A 89 10.637 0.230 -7.836 1.00 0.00 N ATOM 1308 CA SER A 89 10.938 1.450 -8.616 1.00 0.00 C ATOM 1309 C SER A 89 9.774 1.820 -9.509 1.00 0.00 C ATOM 1310 O SER A 89 9.561 1.232 -10.546 1.00 0.00 O ATOM 1311 CB SER A 89 12.152 1.099 -9.458 1.00 0.00 C ATOM 1312 OG SER A 89 13.144 0.502 -8.634 1.00 0.00 O ATOM 0 H SER A 89 10.565 -0.634 -8.373 1.00 0.00 H new ATOM 0 HA SER A 89 11.121 2.305 -7.965 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.868 0.414 -10.257 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.550 1.996 -9.933 1.00 0.00 H new ATOM 0 HG SER A 89 13.927 0.274 -9.178 1.00 0.00 H new ATOM 1318 N LEU A 90 9.038 2.808 -9.121 1.00 0.00 N ATOM 1319 CA LEU A 90 7.898 3.244 -9.958 1.00 0.00 C ATOM 1320 C LEU A 90 8.458 3.802 -11.277 1.00 0.00 C ATOM 1321 O LEU A 90 9.073 4.848 -11.305 1.00 0.00 O ATOM 1322 CB LEU A 90 7.179 4.298 -9.090 1.00 0.00 C ATOM 1323 CG LEU A 90 6.844 5.550 -9.896 1.00 0.00 C ATOM 1324 CD1 LEU A 90 5.896 5.185 -11.041 1.00 0.00 C ATOM 1325 CD2 LEU A 90 6.163 6.573 -8.984 1.00 0.00 C ATOM 0 H LEU A 90 9.174 3.336 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 90 7.198 2.458 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.263 3.871 -8.681 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.811 4.567 -8.244 1.00 0.00 H new ATOM 0 HG LEU A 90 7.761 5.974 -10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.658 6.080 -11.616 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.376 4.453 -11.691 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.979 4.761 -10.633 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.923 7.468 -9.557 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.246 6.145 -8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.834 6.835 -8.166 1.00 0.00 H new ATOM 1337 N PRO A 91 8.251 3.053 -12.328 1.00 0.00 N ATOM 1338 CA PRO A 91 8.760 3.446 -13.671 1.00 0.00 C ATOM 1339 C PRO A 91 8.101 4.738 -14.167 1.00 0.00 C ATOM 1340 O PRO A 91 6.968 5.028 -13.840 1.00 0.00 O ATOM 1341 CB PRO A 91 8.388 2.254 -14.554 1.00 0.00 C ATOM 1342 CG PRO A 91 7.245 1.606 -13.844 1.00 0.00 C ATOM 1343 CD PRO A 91 7.527 1.776 -12.375 1.00 0.00 C ATOM 0 HA PRO A 91 9.829 3.657 -13.672 1.00 0.00 H new ATOM 0 HB2 PRO A 91 8.102 2.576 -15.556 1.00 0.00 H new ATOM 0 HB3 PRO A 91 9.226 1.567 -14.667 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.299 2.073 -14.117 1.00 0.00 H new ATOM 0 HG3 PRO A 91 7.168 0.551 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.609 1.810 -11.788 1.00 0.00 H new ATOM 0 HD3 PRO A 91 8.127 0.956 -11.981 1.00 0.00 H new ATOM 1351 N PRO A 92 8.857 5.473 -14.945 1.00 0.00 N ATOM 1352 CA PRO A 92 8.372 6.762 -15.506 1.00 0.00 C ATOM 1353 C PRO A 92 7.327 6.525 -16.597 1.00 0.00 C ATOM 1354 O PRO A 92 6.668 7.441 -17.050 1.00 0.00 O ATOM 1355 CB PRO A 92 9.632 7.391 -16.092 1.00 0.00 C ATOM 1356 CG PRO A 92 10.541 6.241 -16.380 1.00 0.00 C ATOM 1357 CD PRO A 92 10.227 5.169 -15.369 1.00 0.00 C ATOM 0 HA PRO A 92 7.887 7.392 -14.761 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.407 7.953 -16.999 1.00 0.00 H new ATOM 0 HB3 PRO A 92 10.088 8.088 -15.389 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.387 5.872 -17.394 1.00 0.00 H new ATOM 0 HG3 PRO A 92 11.585 6.546 -16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.298 4.174 -15.807 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.921 5.197 -14.529 1.00 0.00 H new ATOM 1365 N ALA A 93 7.155 5.302 -17.006 1.00 0.00 N ATOM 1366 CA ALA A 93 6.134 5.001 -18.051 1.00 0.00 C ATOM 1367 C ALA A 93 4.828 4.640 -17.355 1.00 0.00 C ATOM 1368 O ALA A 93 3.972 3.982 -17.907 1.00 0.00 O ATOM 1369 CB ALA A 93 6.680 3.792 -18.810 1.00 0.00 C ATOM 0 H ALA A 93 7.676 4.495 -16.663 1.00 0.00 H new ATOM 0 HA ALA A 93 5.947 5.840 -18.722 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.981 3.511 -19.598 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.643 4.045 -19.253 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.806 2.957 -18.121 1.00 0.00 H new ATOM 1375 N LEU A 94 4.699 5.044 -16.126 1.00 0.00 N ATOM 1376 CA LEU A 94 3.487 4.710 -15.341 1.00 0.00 C ATOM 1377 C LEU A 94 3.044 5.932 -14.517 1.00 0.00 C ATOM 1378 O LEU A 94 2.105 5.872 -13.747 1.00 0.00 O ATOM 1379 CB LEU A 94 3.990 3.551 -14.469 1.00 0.00 C ATOM 1380 CG LEU A 94 3.395 3.569 -13.064 1.00 0.00 C ATOM 1381 CD1 LEU A 94 2.054 2.840 -13.075 1.00 0.00 C ATOM 1382 CD2 LEU A 94 4.364 2.839 -12.139 1.00 0.00 C ATOM 0 H LEU A 94 5.393 5.600 -15.626 1.00 0.00 H new ATOM 0 HA LEU A 94 2.609 4.439 -15.928 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.743 2.605 -14.951 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.077 3.599 -14.399 1.00 0.00 H new ATOM 0 HG LEU A 94 3.240 4.593 -12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.626 2.851 -12.073 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.374 3.339 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.203 1.809 -13.395 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.965 2.835 -11.124 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.492 1.813 -12.483 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.328 3.347 -12.148 1.00 0.00 H new ATOM 1394 N VAL A 95 3.718 7.039 -14.678 1.00 0.00 N ATOM 1395 CA VAL A 95 3.353 8.262 -13.903 1.00 0.00 C ATOM 1396 C VAL A 95 2.386 9.146 -14.694 1.00 0.00 C ATOM 1397 O VAL A 95 2.736 9.675 -15.731 1.00 0.00 O ATOM 1398 CB VAL A 95 4.677 8.992 -13.686 1.00 0.00 C ATOM 1399 CG1 VAL A 95 4.474 10.140 -12.693 1.00 0.00 C ATOM 1400 CG2 VAL A 95 5.715 8.017 -13.127 1.00 0.00 C ATOM 0 H VAL A 95 4.508 7.150 -15.314 1.00 0.00 H new ATOM 0 HA VAL A 95 2.851 8.014 -12.968 1.00 0.00 H new ATOM 0 HB VAL A 95 5.027 9.391 -14.638 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.420 10.660 -12.539 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.737 10.838 -13.090 1.00 0.00 H new ATOM 0 HG13 VAL A 95 4.121 9.741 -11.742 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.659 8.540 -12.973 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.363 7.616 -12.177 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.864 7.200 -13.833 1.00 0.00 H new ATOM 1410 N PRO A 96 1.199 9.287 -14.168 1.00 0.00 N ATOM 1411 CA PRO A 96 0.173 10.128 -14.823 1.00 0.00 C ATOM 1412 C PRO A 96 0.455 11.611 -14.552 1.00 0.00 C ATOM 1413 O PRO A 96 1.335 11.945 -13.782 1.00 0.00 O ATOM 1414 CB PRO A 96 -1.126 9.691 -14.158 1.00 0.00 C ATOM 1415 CG PRO A 96 -0.725 9.148 -12.822 1.00 0.00 C ATOM 1416 CD PRO A 96 0.707 8.679 -12.928 1.00 0.00 C ATOM 0 HA PRO A 96 0.148 10.013 -15.907 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -1.814 10.530 -14.051 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.637 8.934 -14.753 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -0.820 9.915 -12.053 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.377 8.324 -12.533 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.295 9.000 -12.068 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.767 7.591 -12.968 1.00 0.00 H new ATOM 1424 N PRO A 97 -0.306 12.449 -15.197 1.00 0.00 N ATOM 1425 CA PRO A 97 -0.145 13.916 -15.033 1.00 0.00 C ATOM 1426 C PRO A 97 -0.632 14.374 -13.657 1.00 0.00 C ATOM 1427 O PRO A 97 -1.787 14.698 -13.463 1.00 0.00 O ATOM 1428 CB PRO A 97 -1.016 14.496 -16.145 1.00 0.00 C ATOM 1429 CG PRO A 97 -2.032 13.436 -16.431 1.00 0.00 C ATOM 1430 CD PRO A 97 -1.380 12.111 -16.137 1.00 0.00 C ATOM 0 HA PRO A 97 0.894 14.238 -15.096 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.492 15.425 -15.830 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.424 14.725 -17.031 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.919 13.575 -15.813 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -2.357 13.484 -17.470 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.087 11.406 -15.700 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.988 11.649 -17.043 1.00 0.00 H new ATOM 1438 N SER A 98 0.259 14.422 -12.712 1.00 0.00 N ATOM 1439 CA SER A 98 -0.104 14.880 -11.343 1.00 0.00 C ATOM 1440 C SER A 98 1.144 15.432 -10.673 1.00 0.00 C ATOM 1441 O SER A 98 1.124 16.471 -10.044 1.00 0.00 O ATOM 1442 CB SER A 98 -0.615 13.642 -10.609 1.00 0.00 C ATOM 1443 OG SER A 98 -1.544 14.039 -9.610 1.00 0.00 O ATOM 0 H SER A 98 1.238 14.160 -12.830 1.00 0.00 H new ATOM 0 HA SER A 98 -0.862 15.664 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.090 12.958 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 98 0.218 13.105 -10.155 1.00 0.00 H new ATOM 0 HG SER A 98 -1.875 13.247 -9.138 1.00 0.00 H new ATOM 1449 N LYS A 99 2.239 14.758 -10.844 1.00 0.00 N ATOM 1450 CA LYS A 99 3.507 15.251 -10.266 1.00 0.00 C ATOM 1451 C LYS A 99 4.176 16.163 -11.294 1.00 0.00 C ATOM 1452 O LYS A 99 5.285 16.622 -11.105 1.00 0.00 O ATOM 1453 CB LYS A 99 4.352 13.999 -10.023 1.00 0.00 C ATOM 1454 CG LYS A 99 4.532 13.781 -8.519 1.00 0.00 C ATOM 1455 CD LYS A 99 5.485 12.606 -8.282 1.00 0.00 C ATOM 1456 CE LYS A 99 6.707 12.741 -9.195 1.00 0.00 C ATOM 1457 NZ LYS A 99 7.794 11.997 -8.501 1.00 0.00 N ATOM 0 H LYS A 99 2.309 13.882 -11.362 1.00 0.00 H new ATOM 0 HA LYS A 99 3.372 15.817 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.869 13.130 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.324 14.106 -10.504 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.929 14.684 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.568 13.580 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.799 12.585 -7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.973 11.664 -8.480 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.510 12.322 -10.182 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.976 13.787 -9.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.665 12.045 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.965 12.422 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 7.513 11.003 -8.382 1.00 0.00 H new ATOM 1471 N ARG A 100 3.505 16.426 -12.393 1.00 0.00 N ATOM 1472 CA ARG A 100 4.112 17.306 -13.433 1.00 0.00 C ATOM 1473 C ARG A 100 4.178 18.752 -12.937 1.00 0.00 C ATOM 1474 O ARG A 100 3.527 19.630 -13.467 1.00 0.00 O ATOM 1475 CB ARG A 100 3.183 17.192 -14.645 1.00 0.00 C ATOM 1476 CG ARG A 100 2.936 15.714 -14.965 1.00 0.00 C ATOM 1477 CD ARG A 100 4.258 14.941 -14.892 1.00 0.00 C ATOM 1478 NE ARG A 100 4.192 13.949 -16.001 1.00 0.00 N ATOM 1479 CZ ARG A 100 4.277 14.340 -17.246 1.00 0.00 C ATOM 1480 NH1 ARG A 100 4.822 15.489 -17.541 1.00 0.00 N ATOM 1481 NH2 ARG A 100 3.818 13.574 -18.197 1.00 0.00 N ATOM 0 H ARG A 100 2.573 16.071 -12.609 1.00 0.00 H new ATOM 0 HA ARG A 100 5.133 17.011 -13.675 1.00 0.00 H new ATOM 0 HB2 ARG A 100 2.237 17.693 -14.439 1.00 0.00 H new ATOM 0 HB3 ARG A 100 3.628 17.692 -15.506 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.219 15.294 -14.260 1.00 0.00 H new ATOM 0 HG3 ARG A 100 2.500 15.615 -15.959 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.112 15.608 -15.011 1.00 0.00 H new ATOM 0 HD3 ARG A 100 4.372 14.446 -13.927 1.00 0.00 H new ATOM 0 HE ARG A 100 4.080 12.958 -15.788 1.00 0.00 H new ATOM 0 HH11 ARG A 100 5.184 16.087 -16.799 1.00 0.00 H new ATOM 0 HH12 ARG A 100 4.885 15.789 -18.514 1.00 0.00 H new ATOM 0 HH21 ARG A 100 3.395 12.675 -17.968 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.882 13.875 -19.170 1.00 0.00 H new TER 1495 ARG A 100 ATOM 1496 N SER B 107 5.342 6.744 9.148 1.00 0.00 N ATOM 1497 CA SER B 107 4.980 5.635 8.220 1.00 0.00 C ATOM 1498 C SER B 107 3.986 6.132 7.167 1.00 0.00 C ATOM 1499 O SER B 107 3.165 6.989 7.430 1.00 0.00 O ATOM 1500 CB SER B 107 4.336 4.571 9.109 1.00 0.00 C ATOM 1501 OG SER B 107 5.110 4.415 10.291 1.00 0.00 O ATOM 0 HA SER B 107 5.844 5.246 7.681 1.00 0.00 H new ATOM 0 HB2 SER B 107 3.317 4.862 9.364 1.00 0.00 H new ATOM 0 HB3 SER B 107 4.273 3.623 8.574 1.00 0.00 H new ATOM 0 HG SER B 107 5.520 5.273 10.529 1.00 0.00 H new ATOM 1507 N THR B 108 4.051 5.598 5.978 1.00 0.00 N ATOM 1508 CA THR B 108 3.106 6.035 4.909 1.00 0.00 C ATOM 1509 C THR B 108 2.627 4.823 4.104 1.00 0.00 C ATOM 1510 O THR B 108 1.940 4.956 3.110 1.00 0.00 O ATOM 1511 CB THR B 108 3.909 6.995 4.023 1.00 0.00 C ATOM 1512 OG1 THR B 108 3.137 7.342 2.883 1.00 0.00 O ATOM 1513 CG2 THR B 108 5.211 6.326 3.576 1.00 0.00 C ATOM 0 H THR B 108 4.717 4.878 5.700 1.00 0.00 H new ATOM 0 HA THR B 108 2.217 6.517 5.316 1.00 0.00 H new ATOM 0 HB THR B 108 4.147 7.894 4.591 1.00 0.00 H new ATOM 0 HG1 THR B 108 2.525 6.608 2.666 1.00 0.00 H new ATOM 0 HG21 THR B 108 5.776 7.014 2.947 1.00 0.00 H new ATOM 0 HG22 THR B 108 5.805 6.064 4.452 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.981 5.423 3.010 1.00 0.00 H new ATOM 1521 N ASN B 109 2.981 3.640 4.530 1.00 0.00 N ATOM 1522 CA ASN B 109 2.546 2.416 3.801 1.00 0.00 C ATOM 1523 C ASN B 109 1.776 1.490 4.748 1.00 0.00 C ATOM 1524 O ASN B 109 2.245 1.181 5.827 1.00 0.00 O ATOM 1525 CB ASN B 109 3.841 1.749 3.344 1.00 0.00 C ATOM 1526 CG ASN B 109 3.518 0.681 2.298 1.00 0.00 C ATOM 1527 OD1 ASN B 109 2.454 0.097 2.320 1.00 0.00 O ATOM 1528 ND2 ASN B 109 4.398 0.400 1.379 1.00 0.00 N ATOM 0 H ASN B 109 3.555 3.469 5.355 1.00 0.00 H new ATOM 0 HA ASN B 109 1.886 2.643 2.964 1.00 0.00 H new ATOM 0 HB2 ASN B 109 4.518 2.493 2.924 1.00 0.00 H new ATOM 0 HB3 ASN B 109 4.351 1.298 4.195 1.00 0.00 H new ATOM 0 HD21 ASN B 109 4.193 -0.311 0.677 1.00 0.00 H new ATOM 0 HD22 ASN B 109 5.292 0.891 1.361 1.00 0.00 H new ATOM 1535 N PRO B 110 0.613 1.085 4.319 1.00 0.00 N ATOM 1536 CA PRO B 110 -0.236 0.193 5.148 1.00 0.00 C ATOM 1537 C PRO B 110 0.283 -1.257 5.136 1.00 0.00 C ATOM 1538 O PRO B 110 -0.374 -2.155 5.621 1.00 0.00 O ATOM 1539 CB PRO B 110 -1.606 0.290 4.482 1.00 0.00 C ATOM 1540 CG PRO B 110 -1.328 0.671 3.062 1.00 0.00 C ATOM 1541 CD PRO B 110 -0.019 1.421 3.039 1.00 0.00 C ATOM 0 HA PRO B 110 -0.248 0.483 6.199 1.00 0.00 H new ATOM 0 HB2 PRO B 110 -2.139 -0.659 4.538 1.00 0.00 H new ATOM 0 HB3 PRO B 110 -2.231 1.035 4.974 1.00 0.00 H new ATOM 0 HG2 PRO B 110 -1.272 -0.216 2.431 1.00 0.00 H new ATOM 0 HG3 PRO B 110 -2.132 1.292 2.668 1.00 0.00 H new ATOM 0 HD2 PRO B 110 0.601 1.114 2.197 1.00 0.00 H new ATOM 0 HD3 PRO B 110 -0.177 2.495 2.943 1.00 0.00 H new ATOM 1549 N PHE B 111 1.455 -1.497 4.601 1.00 0.00 N ATOM 1550 CA PHE B 111 1.992 -2.896 4.587 1.00 0.00 C ATOM 1551 C PHE B 111 3.443 -2.914 5.070 1.00 0.00 C ATOM 1552 O PHE B 111 4.280 -3.602 4.520 1.00 0.00 O ATOM 1553 CB PHE B 111 1.921 -3.354 3.130 1.00 0.00 C ATOM 1554 CG PHE B 111 0.486 -3.402 2.685 1.00 0.00 C ATOM 1555 CD1 PHE B 111 -0.289 -4.528 2.969 1.00 0.00 C ATOM 1556 CD2 PHE B 111 -0.070 -2.324 1.988 1.00 0.00 C ATOM 1557 CE1 PHE B 111 -1.620 -4.578 2.557 1.00 0.00 C ATOM 1558 CE2 PHE B 111 -1.404 -2.376 1.575 1.00 0.00 C ATOM 1559 CZ PHE B 111 -2.178 -3.504 1.860 1.00 0.00 C ATOM 0 H PHE B 111 2.059 -0.793 4.177 1.00 0.00 H new ATOM 0 HA PHE B 111 1.421 -3.549 5.246 1.00 0.00 H new ATOM 0 HB2 PHE B 111 2.486 -2.671 2.496 1.00 0.00 H new ATOM 0 HB3 PHE B 111 2.378 -4.338 3.025 1.00 0.00 H new ATOM 0 HD1 PHE B 111 0.142 -5.359 3.507 1.00 0.00 H new ATOM 0 HD2 PHE B 111 0.531 -1.453 1.770 1.00 0.00 H new ATOM 0 HE1 PHE B 111 -2.220 -5.448 2.777 1.00 0.00 H new ATOM 0 HE2 PHE B 111 -1.836 -1.546 1.036 1.00 0.00 H new ATOM 0 HZ PHE B 111 -3.209 -3.545 1.541 1.00 0.00 H new ATOM 1569 N LEU B 112 3.750 -2.164 6.090 1.00 0.00 N ATOM 1570 CA LEU B 112 5.148 -2.144 6.600 1.00 0.00 C ATOM 1571 C LEU B 112 5.149 -2.002 8.125 1.00 0.00 C ATOM 1572 O LEU B 112 5.148 -3.021 8.794 1.00 0.00 O ATOM 1573 CB LEU B 112 5.793 -0.924 5.939 1.00 0.00 C ATOM 1574 CG LEU B 112 6.714 -1.382 4.803 1.00 0.00 C ATOM 1575 CD1 LEU B 112 6.451 -0.535 3.557 1.00 0.00 C ATOM 1576 CD2 LEU B 112 8.175 -1.217 5.229 1.00 0.00 C ATOM 1577 OXT LEU B 112 5.147 -0.877 8.595 1.00 0.00 O ATOM 0 H LEU B 112 3.095 -1.565 6.592 1.00 0.00 H new ATOM 0 HA LEU B 112 5.689 -3.061 6.369 1.00 0.00 H new ATOM 0 HB2 LEU B 112 5.022 -0.259 5.550 1.00 0.00 H new ATOM 0 HB3 LEU B 112 6.362 -0.357 6.676 1.00 0.00 H new ATOM 0 HG LEU B 112 6.516 -2.430 4.579 1.00 0.00 H new ATOM 0 HD11 LEU B 112 7.107 -0.862 2.750 1.00 0.00 H new ATOM 0 HD12 LEU B 112 5.412 -0.652 3.250 1.00 0.00 H new ATOM 0 HD13 LEU B 112 6.647 0.513 3.782 1.00 0.00 H new ATOM 0 HD21 LEU B 112 8.829 -1.543 4.420 1.00 0.00 H new ATOM 0 HD22 LEU B 112 8.372 -0.169 5.455 1.00 0.00 H new ATOM 0 HD23 LEU B 112 8.366 -1.821 6.116 1.00 0.00 H new TER 1589 LEU B 112 HETATM 1590 CA CA A 113 -0.755 9.952 -2.663 1.00 0.00 CA