USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 726 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 23 THR OG1 : rot -80:sc= -1.37 USER MOD Set 1.2: A 31 MET CE :methyl -161:sc= 0 (180deg=-0.252) USER MOD Single : A 0 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -124:sc= 0 (180deg=-0.937) USER MOD Single : A 5 SER OG : rot 180:sc= -0.453 USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0301) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -144:sc= 0.0127 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0116 K(o=-0.012,f=-2.3!) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 1.28 (180deg=1.23) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 156:sc= -3.18! (180deg=-3.32!) USER MOD Single : A 18 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.12) USER MOD Single : A 22 SER OG : rot 180:sc= 0.029 USER MOD Single : A 24 MET CE :methyl 171:sc= -0.328 (180deg=-0.539) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 2:sc= -2.21! USER MOD Single : A 45 ASN : amide:sc= -0.225 K(o=-0.22,f=-6.2!) USER MOD Single : A 52 SER OG : rot -85:sc= -2.42! USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= -0.0255 (180deg=-0.251) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 66 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.13) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -140:sc= 0.807 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl 168:sc= -1.24 (180deg=-1.72) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 17.370 6.296 -11.583 1.00 1.00 N ATOM 2 CA GLY A -5 17.037 4.866 -11.385 1.00 1.00 C ATOM 3 C GLY A -5 16.222 4.649 -10.132 1.00 1.00 C ATOM 4 O GLY A -5 15.378 5.475 -9.782 1.00 1.00 O ATOM 0 H1 GLY A -5 17.353 6.519 -12.599 1.00 1.00 H new ATOM 0 H2 GLY A -5 16.673 6.887 -11.087 1.00 1.00 H new ATOM 0 H3 GLY A -5 18.319 6.487 -11.203 1.00 1.00 H new ATOM 0 HA2 GLY A -5 16.482 4.499 -12.248 1.00 1.00 H new ATOM 0 HA3 GLY A -5 17.956 4.283 -11.326 1.00 1.00 H new ATOM 10 N ILE A -4 16.470 3.543 -9.453 1.00 1.00 N ATOM 11 CA ILE A -4 15.800 3.253 -8.201 1.00 1.00 C ATOM 12 C ILE A -4 16.830 3.093 -7.086 1.00 1.00 C ATOM 13 O ILE A -4 17.877 2.468 -7.279 1.00 1.00 O ATOM 14 CB ILE A -4 14.910 1.989 -8.312 1.00 1.00 C ATOM 15 CG1 ILE A -4 14.182 1.724 -6.992 1.00 1.00 C ATOM 16 CG2 ILE A -4 15.734 0.775 -8.730 1.00 1.00 C ATOM 17 CD1 ILE A -4 13.179 0.593 -7.070 1.00 1.00 C ATOM 0 H ILE A -4 17.134 2.829 -9.751 1.00 1.00 H new ATOM 0 HA ILE A -4 15.145 4.091 -7.963 1.00 1.00 H new ATOM 0 HB ILE A -4 14.162 2.168 -9.085 1.00 1.00 H new ATOM 0 HG12 ILE A -4 14.917 1.494 -6.221 1.00 1.00 H new ATOM 0 HG13 ILE A -4 13.668 2.634 -6.681 1.00 1.00 H new ATOM 0 HG21 ILE A -4 15.085 -0.098 -8.800 1.00 1.00 H new ATOM 0 HG22 ILE A -4 16.194 0.964 -9.700 1.00 1.00 H new ATOM 0 HG23 ILE A -4 16.512 0.590 -7.989 1.00 1.00 H new ATOM 0 HD11 ILE A -4 12.702 0.462 -6.099 1.00 1.00 H new ATOM 0 HD12 ILE A -4 12.422 0.829 -7.817 1.00 1.00 H new ATOM 0 HD13 ILE A -4 13.690 -0.328 -7.350 1.00 1.00 H new ATOM 29 N ASP A -3 16.547 3.685 -5.934 1.00 1.00 N ATOM 30 CA ASP A -3 17.480 3.669 -4.813 1.00 1.00 C ATOM 31 C ASP A -3 17.581 2.264 -4.224 1.00 1.00 C ATOM 32 O ASP A -3 16.557 1.630 -3.957 1.00 1.00 O ATOM 33 CB ASP A -3 17.025 4.660 -3.741 1.00 1.00 C ATOM 34 CG ASP A -3 18.129 5.016 -2.770 1.00 1.00 C ATOM 35 OD1 ASP A -3 19.007 5.822 -3.142 1.00 1.00 O ATOM 36 OD2 ASP A -3 18.115 4.519 -1.627 1.00 1.00 O ATOM 0 H ASP A -3 15.677 4.184 -5.750 1.00 1.00 H new ATOM 0 HA ASP A -3 18.465 3.964 -5.173 1.00 1.00 H new ATOM 0 HB2 ASP A -3 16.663 5.569 -4.222 1.00 1.00 H new ATOM 0 HB3 ASP A -3 16.186 4.234 -3.191 1.00 1.00 H new ATOM 41 N PRO A -2 18.814 1.760 -4.034 1.00 1.00 N ATOM 42 CA PRO A -2 19.064 0.405 -3.514 1.00 1.00 C ATOM 43 C PRO A -2 18.340 0.132 -2.198 1.00 1.00 C ATOM 44 O PRO A -2 18.419 0.922 -1.257 1.00 1.00 O ATOM 45 CB PRO A -2 20.586 0.363 -3.306 1.00 1.00 C ATOM 46 CG PRO A -2 21.044 1.781 -3.401 1.00 1.00 C ATOM 47 CD PRO A -2 20.070 2.468 -4.310 1.00 1.00 C ATOM 0 HA PRO A -2 18.695 -0.356 -4.201 1.00 1.00 H new ATOM 0 HB2 PRO A -2 20.837 -0.066 -2.336 1.00 1.00 H new ATOM 0 HB3 PRO A -2 21.068 -0.256 -4.063 1.00 1.00 H new ATOM 0 HG2 PRO A -2 21.061 2.253 -2.418 1.00 1.00 H new ATOM 0 HG3 PRO A -2 22.057 1.838 -3.799 1.00 1.00 H new ATOM 0 HD2 PRO A -2 19.992 3.532 -4.089 1.00 1.00 H new ATOM 0 HD3 PRO A -2 20.362 2.381 -5.356 1.00 1.00 H new ATOM 55 N PHE A -1 17.640 -0.991 -2.137 1.00 1.00 N ATOM 56 CA PHE A -1 16.859 -1.340 -0.958 1.00 1.00 C ATOM 57 C PHE A -1 17.644 -2.282 -0.049 1.00 1.00 C ATOM 58 O PHE A -1 18.654 -2.862 -0.459 1.00 1.00 O ATOM 59 CB PHE A -1 15.522 -1.980 -1.362 1.00 1.00 C ATOM 60 CG PHE A -1 15.650 -3.329 -2.022 1.00 1.00 C ATOM 61 CD1 PHE A -1 16.040 -3.438 -3.348 1.00 1.00 C ATOM 62 CD2 PHE A -1 15.368 -4.488 -1.317 1.00 1.00 C ATOM 63 CE1 PHE A -1 16.148 -4.674 -3.954 1.00 1.00 C ATOM 64 CE2 PHE A -1 15.475 -5.727 -1.919 1.00 1.00 C ATOM 65 CZ PHE A -1 15.865 -5.819 -3.239 1.00 1.00 C ATOM 0 H PHE A -1 17.596 -1.677 -2.890 1.00 1.00 H new ATOM 0 HA PHE A -1 16.651 -0.423 -0.407 1.00 1.00 H new ATOM 0 HB2 PHE A -1 14.899 -2.082 -0.473 1.00 1.00 H new ATOM 0 HB3 PHE A -1 15.001 -1.305 -2.041 1.00 1.00 H new ATOM 0 HD1 PHE A -1 16.262 -2.545 -3.914 1.00 1.00 H new ATOM 0 HD2 PHE A -1 15.061 -4.422 -0.284 1.00 1.00 H new ATOM 0 HE1 PHE A -1 16.454 -4.744 -4.987 1.00 1.00 H new ATOM 0 HE2 PHE A -1 15.254 -6.622 -1.357 1.00 1.00 H new ATOM 0 HZ PHE A -1 15.949 -6.786 -3.712 1.00 1.00 H new ATOM 75 N THR A 0 17.174 -2.434 1.179 1.00 1.00 N ATOM 76 CA THR A 0 17.815 -3.310 2.146 1.00 1.00 C ATOM 77 C THR A 0 16.784 -4.273 2.728 1.00 1.00 C ATOM 78 O THR A 0 15.678 -3.851 3.072 1.00 1.00 O ATOM 79 CB THR A 0 18.459 -2.496 3.289 1.00 1.00 C ATOM 80 OG1 THR A 0 19.214 -1.402 2.747 1.00 1.00 O ATOM 81 CG2 THR A 0 19.372 -3.371 4.135 1.00 1.00 C ATOM 0 H THR A 0 16.344 -1.957 1.531 1.00 1.00 H new ATOM 0 HA THR A 0 18.599 -3.869 1.635 1.00 1.00 H new ATOM 0 HB THR A 0 17.659 -2.112 3.923 1.00 1.00 H new ATOM 0 HG1 THR A 0 19.618 -0.889 3.478 1.00 1.00 H new ATOM 0 HG21 THR A 0 19.813 -2.773 4.933 1.00 1.00 H new ATOM 0 HG22 THR A 0 18.794 -4.186 4.570 1.00 1.00 H new ATOM 0 HG23 THR A 0 20.165 -3.782 3.509 1.00 1.00 H new ATOM 89 N MET A 1 17.146 -5.559 2.817 1.00 1.00 N ATOM 90 CA MET A 1 16.242 -6.605 3.316 1.00 1.00 C ATOM 91 C MET A 1 15.144 -6.889 2.290 1.00 1.00 C ATOM 92 O MET A 1 14.881 -6.068 1.411 1.00 1.00 O ATOM 93 CB MET A 1 15.638 -6.203 4.674 1.00 1.00 C ATOM 94 CG MET A 1 14.769 -7.270 5.325 1.00 1.00 C ATOM 95 SD MET A 1 15.686 -8.775 5.707 1.00 1.00 S ATOM 96 CE MET A 1 14.404 -9.761 6.481 1.00 1.00 C ATOM 0 H MET A 1 18.068 -5.903 2.547 1.00 1.00 H new ATOM 0 HA MET A 1 16.817 -7.519 3.465 1.00 1.00 H new ATOM 0 HB2 MET A 1 16.449 -5.949 5.356 1.00 1.00 H new ATOM 0 HB3 MET A 1 15.041 -5.301 4.538 1.00 1.00 H new ATOM 0 HG2 MET A 1 14.336 -6.871 6.242 1.00 1.00 H new ATOM 0 HG3 MET A 1 13.940 -7.513 4.660 1.00 1.00 H new ATOM 0 HE1 MET A 1 14.731 -10.067 7.475 1.00 1.00 H new ATOM 0 HE2 MET A 1 13.492 -9.170 6.565 1.00 1.00 H new ATOM 0 HE3 MET A 1 14.209 -10.645 5.874 1.00 1.00 H new ATOM 106 N VAL A 2 14.527 -8.064 2.377 1.00 1.00 N ATOM 107 CA VAL A 2 13.453 -8.426 1.462 1.00 1.00 C ATOM 108 C VAL A 2 12.282 -7.444 1.583 1.00 1.00 C ATOM 109 O VAL A 2 11.602 -7.377 2.609 1.00 1.00 O ATOM 110 CB VAL A 2 12.971 -9.884 1.683 1.00 1.00 C ATOM 111 CG1 VAL A 2 12.545 -10.124 3.126 1.00 1.00 C ATOM 112 CG2 VAL A 2 11.840 -10.232 0.724 1.00 1.00 C ATOM 0 H VAL A 2 14.752 -8.778 3.070 1.00 1.00 H new ATOM 0 HA VAL A 2 13.855 -8.366 0.450 1.00 1.00 H new ATOM 0 HB VAL A 2 13.815 -10.541 1.475 1.00 1.00 H new ATOM 0 HG11 VAL A 2 12.214 -11.156 3.241 1.00 1.00 H new ATOM 0 HG12 VAL A 2 13.389 -9.938 3.790 1.00 1.00 H new ATOM 0 HG13 VAL A 2 11.727 -9.450 3.381 1.00 1.00 H new ATOM 0 HG21 VAL A 2 11.519 -11.259 0.898 1.00 1.00 H new ATOM 0 HG22 VAL A 2 11.001 -9.556 0.890 1.00 1.00 H new ATOM 0 HG23 VAL A 2 12.190 -10.130 -0.303 1.00 1.00 H new ATOM 122 N ALA A 3 12.077 -6.663 0.535 1.00 1.00 N ATOM 123 CA ALA A 3 11.032 -5.655 0.527 1.00 1.00 C ATOM 124 C ALA A 3 9.804 -6.148 -0.223 1.00 1.00 C ATOM 125 O ALA A 3 9.892 -7.031 -1.081 1.00 1.00 O ATOM 126 CB ALA A 3 11.551 -4.364 -0.093 1.00 1.00 C ATOM 0 H ALA A 3 12.624 -6.709 -0.325 1.00 1.00 H new ATOM 0 HA ALA A 3 10.740 -5.458 1.559 1.00 1.00 H new ATOM 0 HB1 ALA A 3 10.758 -3.616 -0.093 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.397 -3.996 0.488 1.00 1.00 H new ATOM 0 HB3 ALA A 3 11.870 -4.555 -1.118 1.00 1.00 H new ATOM 132 N LEU A 4 8.661 -5.576 0.114 1.00 1.00 N ATOM 133 CA LEU A 4 7.408 -5.906 -0.533 1.00 1.00 C ATOM 134 C LEU A 4 7.108 -4.876 -1.615 1.00 1.00 C ATOM 135 O LEU A 4 6.692 -3.755 -1.316 1.00 1.00 O ATOM 136 CB LEU A 4 6.260 -5.941 0.491 1.00 1.00 C ATOM 137 CG LEU A 4 6.302 -7.079 1.524 1.00 1.00 C ATOM 138 CD1 LEU A 4 7.468 -6.922 2.487 1.00 1.00 C ATOM 139 CD2 LEU A 4 4.992 -7.139 2.295 1.00 1.00 C ATOM 0 H LEU A 4 8.578 -4.869 0.845 1.00 1.00 H new ATOM 0 HA LEU A 4 7.495 -6.894 -0.984 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.251 -4.992 1.028 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.318 -6.008 -0.053 1.00 1.00 H new ATOM 0 HG LEU A 4 6.443 -8.013 0.980 1.00 1.00 H new ATOM 0 HD11 LEU A 4 7.463 -7.745 3.201 1.00 1.00 H new ATOM 0 HD12 LEU A 4 8.404 -6.931 1.929 1.00 1.00 H new ATOM 0 HD13 LEU A 4 7.373 -5.977 3.022 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.035 -7.949 3.023 1.00 1.00 H new ATOM 0 HD22 LEU A 4 4.831 -6.194 2.813 1.00 1.00 H new ATOM 0 HD23 LEU A 4 4.170 -7.317 1.602 1.00 1.00 H new ATOM 151 N SER A 5 7.336 -5.247 -2.861 1.00 1.00 N ATOM 152 CA SER A 5 7.119 -4.341 -3.975 1.00 1.00 C ATOM 153 C SER A 5 5.707 -4.499 -4.527 1.00 1.00 C ATOM 154 O SER A 5 5.407 -5.463 -5.233 1.00 1.00 O ATOM 155 CB SER A 5 8.152 -4.609 -5.068 1.00 1.00 C ATOM 156 OG SER A 5 9.466 -4.609 -4.531 1.00 1.00 O ATOM 0 H SER A 5 7.672 -6.172 -3.128 1.00 1.00 H new ATOM 0 HA SER A 5 7.233 -3.316 -3.622 1.00 1.00 H new ATOM 0 HB2 SER A 5 7.947 -5.570 -5.540 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.072 -3.849 -5.845 1.00 1.00 H new ATOM 0 HG SER A 5 10.112 -4.784 -5.247 1.00 1.00 H new ATOM 162 N LEU A 6 4.838 -3.558 -4.197 1.00 1.00 N ATOM 163 CA LEU A 6 3.450 -3.627 -4.621 1.00 1.00 C ATOM 164 C LEU A 6 3.102 -2.478 -5.550 1.00 1.00 C ATOM 165 O LEU A 6 3.782 -1.448 -5.577 1.00 1.00 O ATOM 166 CB LEU A 6 2.498 -3.621 -3.421 1.00 1.00 C ATOM 167 CG LEU A 6 2.359 -4.951 -2.672 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.535 -5.181 -1.738 1.00 1.00 C ATOM 169 CD2 LEU A 6 1.050 -4.985 -1.902 1.00 1.00 C ATOM 0 H LEU A 6 5.069 -2.738 -3.637 1.00 1.00 H new ATOM 0 HA LEU A 6 3.328 -4.567 -5.160 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.838 -2.863 -2.716 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.510 -3.315 -3.766 1.00 1.00 H new ATOM 0 HG LEU A 6 2.355 -5.756 -3.407 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.408 -6.132 -1.221 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.459 -5.202 -2.315 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.582 -4.374 -1.007 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.963 -5.935 -1.374 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.030 -4.167 -1.182 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.217 -4.878 -2.596 1.00 1.00 H new ATOM 181 N LYS A 7 2.036 -2.667 -6.308 1.00 1.00 N ATOM 182 CA LYS A 7 1.536 -1.642 -7.204 1.00 1.00 C ATOM 183 C LYS A 7 0.471 -0.809 -6.508 1.00 1.00 C ATOM 184 O LYS A 7 -0.601 -1.313 -6.175 1.00 1.00 O ATOM 185 CB LYS A 7 0.955 -2.273 -8.472 1.00 1.00 C ATOM 186 CG LYS A 7 2.002 -2.812 -9.431 1.00 1.00 C ATOM 187 CD LYS A 7 1.352 -3.453 -10.649 1.00 1.00 C ATOM 188 CE LYS A 7 2.364 -3.748 -11.747 1.00 1.00 C ATOM 189 NZ LYS A 7 3.445 -4.662 -11.295 1.00 1.00 N ATOM 0 H LYS A 7 1.495 -3.532 -6.319 1.00 1.00 H new ATOM 0 HA LYS A 7 2.368 -0.996 -7.484 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.286 -3.085 -8.187 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.351 -1.529 -8.991 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.659 -2.003 -9.749 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.625 -3.546 -8.919 1.00 1.00 H new ATOM 0 HD2 LYS A 7 0.859 -4.379 -10.352 1.00 1.00 H new ATOM 0 HD3 LYS A 7 0.578 -2.791 -11.038 1.00 1.00 H new ATOM 0 HE2 LYS A 7 1.851 -4.192 -12.600 1.00 1.00 H new ATOM 0 HE3 LYS A 7 2.804 -2.812 -12.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.059 -4.898 -12.100 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.008 -4.195 -10.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.026 -5.533 -10.912 1.00 1.00 H new ATOM 203 N ILE A 8 0.780 0.456 -6.273 1.00 1.00 N ATOM 204 CA ILE A 8 -0.162 1.370 -5.651 1.00 1.00 C ATOM 205 C ILE A 8 -1.056 1.998 -6.707 1.00 1.00 C ATOM 206 O ILE A 8 -0.580 2.700 -7.599 1.00 1.00 O ATOM 207 CB ILE A 8 0.564 2.479 -4.857 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.323 1.870 -3.673 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.420 3.542 -4.383 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.443 1.090 -2.715 1.00 1.00 C ATOM 0 H ILE A 8 1.681 0.874 -6.505 1.00 1.00 H new ATOM 0 HA ILE A 8 -0.770 0.795 -4.952 1.00 1.00 H new ATOM 0 HB ILE A 8 1.283 2.963 -5.518 1.00 1.00 H new ATOM 0 HG12 ILE A 8 2.102 1.210 -4.054 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.822 2.669 -3.124 1.00 1.00 H new ATOM 0 HG21 ILE A 8 0.116 4.311 -3.827 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -0.911 3.993 -5.245 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.169 3.083 -3.738 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.052 0.690 -1.904 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.321 1.750 -2.303 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.036 0.269 -3.248 1.00 1.00 H new ATOM 222 N SER A 9 -2.345 1.731 -6.609 1.00 1.00 N ATOM 223 CA SER A 9 -3.299 2.219 -7.585 1.00 1.00 C ATOM 224 C SER A 9 -4.167 3.326 -6.995 1.00 1.00 C ATOM 225 O SER A 9 -5.049 3.068 -6.176 1.00 1.00 O ATOM 226 CB SER A 9 -4.172 1.062 -8.069 1.00 1.00 C ATOM 227 OG SER A 9 -4.992 1.441 -9.163 1.00 1.00 O ATOM 0 H SER A 9 -2.756 1.176 -5.859 1.00 1.00 H new ATOM 0 HA SER A 9 -2.751 2.637 -8.430 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.537 0.226 -8.363 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.799 0.712 -7.249 1.00 1.00 H new ATOM 0 HG SER A 9 -5.534 0.675 -9.446 1.00 1.00 H new ATOM 233 N ILE A 10 -3.902 4.555 -7.401 1.00 1.00 N ATOM 234 CA ILE A 10 -4.727 5.686 -7.007 1.00 1.00 C ATOM 235 C ILE A 10 -5.684 6.019 -8.147 1.00 1.00 C ATOM 236 O ILE A 10 -5.308 6.693 -9.111 1.00 1.00 O ATOM 237 CB ILE A 10 -3.875 6.929 -6.661 1.00 1.00 C ATOM 238 CG1 ILE A 10 -2.846 6.588 -5.575 1.00 1.00 C ATOM 239 CG2 ILE A 10 -4.770 8.076 -6.202 1.00 1.00 C ATOM 240 CD1 ILE A 10 -1.851 7.698 -5.308 1.00 1.00 C ATOM 0 H ILE A 10 -3.118 4.797 -8.007 1.00 1.00 H new ATOM 0 HA ILE A 10 -5.281 5.410 -6.110 1.00 1.00 H new ATOM 0 HB ILE A 10 -3.341 7.243 -7.558 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -3.372 6.353 -4.650 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -2.304 5.690 -5.870 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -4.155 8.944 -5.962 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -5.467 8.335 -6.999 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -5.328 7.771 -5.317 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -1.156 7.384 -4.529 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -1.298 7.918 -6.221 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -2.382 8.592 -4.982 1.00 1.00 H new ATOM 252 N GLY A 11 -6.904 5.507 -8.061 1.00 1.00 N ATOM 253 CA GLY A 11 -7.845 5.654 -9.153 1.00 1.00 C ATOM 254 C GLY A 11 -7.507 4.708 -10.285 1.00 1.00 C ATOM 255 O GLY A 11 -7.985 3.571 -10.321 1.00 1.00 O ATOM 0 H GLY A 11 -7.259 4.993 -7.255 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -8.856 5.456 -8.797 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -7.831 6.682 -9.515 1.00 1.00 H new ATOM 259 N ASN A 12 -6.673 5.169 -11.203 1.00 1.00 N ATOM 260 CA ASN A 12 -6.148 4.317 -12.262 1.00 1.00 C ATOM 261 C ASN A 12 -4.656 4.571 -12.437 1.00 1.00 C ATOM 262 O ASN A 12 -4.021 4.044 -13.349 1.00 1.00 O ATOM 263 CB ASN A 12 -6.894 4.547 -13.585 1.00 1.00 C ATOM 264 CG ASN A 12 -6.570 5.876 -14.249 1.00 1.00 C ATOM 265 OD1 ASN A 12 -6.277 6.872 -13.585 1.00 1.00 O ATOM 266 ND2 ASN A 12 -6.617 5.896 -15.571 1.00 1.00 N ATOM 0 H ASN A 12 -6.343 6.133 -11.237 1.00 1.00 H new ATOM 0 HA ASN A 12 -6.302 3.277 -11.974 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.650 3.738 -14.274 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -7.967 4.496 -13.400 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -6.406 6.757 -16.076 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -6.864 5.050 -16.085 1.00 1.00 H new ATOM 273 N VAL A 13 -4.103 5.383 -11.542 1.00 1.00 N ATOM 274 CA VAL A 13 -2.686 5.712 -11.564 1.00 1.00 C ATOM 275 C VAL A 13 -1.909 4.700 -10.732 1.00 1.00 C ATOM 276 O VAL A 13 -2.142 4.571 -9.530 1.00 1.00 O ATOM 277 CB VAL A 13 -2.432 7.131 -11.010 1.00 1.00 C ATOM 278 CG1 VAL A 13 -0.957 7.485 -11.086 1.00 1.00 C ATOM 279 CG2 VAL A 13 -3.269 8.160 -11.756 1.00 1.00 C ATOM 0 H VAL A 13 -4.623 5.828 -10.786 1.00 1.00 H new ATOM 0 HA VAL A 13 -2.349 5.680 -12.600 1.00 1.00 H new ATOM 0 HB VAL A 13 -2.731 7.142 -9.962 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -0.803 8.489 -10.690 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.381 6.771 -10.498 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -0.627 7.450 -12.124 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -3.074 9.152 -11.349 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.007 8.144 -12.814 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -4.326 7.922 -11.640 1.00 1.00 H new ATOM 289 N VAL A 14 -0.996 3.979 -11.368 1.00 1.00 N ATOM 290 CA VAL A 14 -0.279 2.904 -10.696 1.00 1.00 C ATOM 291 C VAL A 14 1.200 3.232 -10.515 1.00 1.00 C ATOM 292 O VAL A 14 1.937 3.416 -11.487 1.00 1.00 O ATOM 293 CB VAL A 14 -0.413 1.575 -11.466 1.00 1.00 C ATOM 294 CG1 VAL A 14 0.296 0.450 -10.730 1.00 1.00 C ATOM 295 CG2 VAL A 14 -1.878 1.230 -11.685 1.00 1.00 C ATOM 0 H VAL A 14 -0.735 4.118 -12.344 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.735 2.798 -9.712 1.00 1.00 H new ATOM 0 HB VAL A 14 0.062 1.697 -12.439 1.00 1.00 H new ATOM 0 HG11 VAL A 14 0.188 -0.478 -11.292 1.00 1.00 H new ATOM 0 HG12 VAL A 14 1.354 0.692 -10.629 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.145 0.328 -9.741 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -1.953 0.289 -12.230 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.377 1.131 -10.721 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.356 2.022 -12.261 1.00 1.00 H new ATOM 305 N LYS A 15 1.623 3.302 -9.261 1.00 1.00 N ATOM 306 CA LYS A 15 3.025 3.505 -8.924 1.00 1.00 C ATOM 307 C LYS A 15 3.561 2.309 -8.145 1.00 1.00 C ATOM 308 O LYS A 15 2.919 1.833 -7.210 1.00 1.00 O ATOM 309 CB LYS A 15 3.215 4.779 -8.093 1.00 1.00 C ATOM 310 CG LYS A 15 3.770 5.957 -8.877 1.00 1.00 C ATOM 311 CD LYS A 15 2.728 6.599 -9.775 1.00 1.00 C ATOM 312 CE LYS A 15 3.327 7.752 -10.566 1.00 1.00 C ATOM 313 NZ LYS A 15 2.300 8.489 -11.349 1.00 1.00 N ATOM 0 H LYS A 15 1.007 3.220 -8.452 1.00 1.00 H new ATOM 0 HA LYS A 15 3.578 3.610 -9.857 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.256 5.064 -7.661 1.00 1.00 H new ATOM 0 HB3 LYS A 15 3.886 4.561 -7.262 1.00 1.00 H new ATOM 0 HG2 LYS A 15 4.155 6.703 -8.182 1.00 1.00 H new ATOM 0 HG3 LYS A 15 4.611 5.622 -9.484 1.00 1.00 H new ATOM 0 HD2 LYS A 15 2.324 5.854 -10.460 1.00 1.00 H new ATOM 0 HD3 LYS A 15 1.896 6.961 -9.171 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.823 8.441 -9.882 1.00 1.00 H new ATOM 0 HE3 LYS A 15 4.091 7.368 -11.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 2.758 9.244 -11.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 1.820 7.832 -11.997 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 1.603 8.907 -10.700 1.00 1.00 H new ATOM 327 N THR A 16 4.730 1.829 -8.532 1.00 1.00 N ATOM 328 CA THR A 16 5.361 0.713 -7.846 1.00 1.00 C ATOM 329 C THR A 16 6.102 1.202 -6.605 1.00 1.00 C ATOM 330 O THR A 16 6.998 2.045 -6.695 1.00 1.00 O ATOM 331 CB THR A 16 6.336 -0.034 -8.778 1.00 1.00 C ATOM 332 OG1 THR A 16 5.620 -0.557 -9.907 1.00 1.00 O ATOM 333 CG2 THR A 16 7.038 -1.172 -8.046 1.00 1.00 C ATOM 0 H THR A 16 5.264 2.196 -9.320 1.00 1.00 H new ATOM 0 HA THR A 16 4.576 0.020 -7.544 1.00 1.00 H new ATOM 0 HB THR A 16 7.094 0.674 -9.115 1.00 1.00 H new ATOM 0 HG1 THR A 16 6.242 -1.030 -10.499 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.719 -1.679 -8.730 1.00 1.00 H new ATOM 0 HG22 THR A 16 7.602 -0.770 -7.204 1.00 1.00 H new ATOM 0 HG23 THR A 16 6.296 -1.882 -7.680 1.00 1.00 H new ATOM 341 N MET A 17 5.713 0.682 -5.450 1.00 1.00 N ATOM 342 CA MET A 17 6.317 1.080 -4.186 1.00 1.00 C ATOM 343 C MET A 17 6.873 -0.130 -3.451 1.00 1.00 C ATOM 344 O MET A 17 6.245 -1.188 -3.420 1.00 1.00 O ATOM 345 CB MET A 17 5.295 1.793 -3.302 1.00 1.00 C ATOM 346 CG MET A 17 4.863 3.152 -3.829 1.00 1.00 C ATOM 347 SD MET A 17 6.226 4.331 -3.908 1.00 1.00 S ATOM 348 CE MET A 17 6.773 4.322 -2.203 1.00 1.00 C ATOM 0 H MET A 17 4.978 -0.020 -5.362 1.00 1.00 H new ATOM 0 HA MET A 17 7.135 1.766 -4.407 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.415 1.159 -3.198 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.717 1.919 -2.305 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.433 3.032 -4.823 1.00 1.00 H new ATOM 0 HG3 MET A 17 4.077 3.553 -3.189 1.00 1.00 H new ATOM 0 HE1 MET A 17 7.816 4.634 -2.154 1.00 1.00 H new ATOM 0 HE2 MET A 17 6.161 5.011 -1.621 1.00 1.00 H new ATOM 0 HE3 MET A 17 6.675 3.316 -1.795 1.00 1.00 H new ATOM 358 N GLN A 18 8.047 0.030 -2.858 1.00 1.00 N ATOM 359 CA GLN A 18 8.679 -1.049 -2.113 1.00 1.00 C ATOM 360 C GLN A 18 8.537 -0.801 -0.619 1.00 1.00 C ATOM 361 O GLN A 18 9.192 0.078 -0.054 1.00 1.00 O ATOM 362 CB GLN A 18 10.157 -1.165 -2.483 1.00 1.00 C ATOM 363 CG GLN A 18 10.397 -1.395 -3.963 1.00 1.00 C ATOM 364 CD GLN A 18 11.871 -1.470 -4.310 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.260 -2.158 -5.254 1.00 1.00 O ATOM 366 NE2 GLN A 18 12.701 -0.764 -3.559 1.00 1.00 N ATOM 0 H GLN A 18 8.582 0.898 -2.878 1.00 1.00 H new ATOM 0 HA GLN A 18 8.182 -1.984 -2.371 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.672 -0.254 -2.177 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.600 -1.986 -1.920 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.908 -2.321 -4.267 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.934 -0.589 -4.532 1.00 1.00 H new ATOM 0 HE21 GLN A 18 12.340 -0.206 -2.785 1.00 1.00 H new ATOM 0 HE22 GLN A 18 13.702 -0.778 -3.754 1.00 1.00 H new ATOM 375 N PHE A 19 7.678 -1.569 0.016 1.00 1.00 N ATOM 376 CA PHE A 19 7.413 -1.399 1.432 1.00 1.00 C ATOM 377 C PHE A 19 8.210 -2.406 2.247 1.00 1.00 C ATOM 378 O PHE A 19 8.658 -3.426 1.725 1.00 1.00 O ATOM 379 CB PHE A 19 5.923 -1.574 1.717 1.00 1.00 C ATOM 380 CG PHE A 19 5.036 -0.605 0.989 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.949 0.716 1.397 1.00 1.00 C ATOM 382 CD2 PHE A 19 4.280 -1.016 -0.100 1.00 1.00 C ATOM 383 CE1 PHE A 19 4.128 1.608 0.736 1.00 1.00 C ATOM 384 CE2 PHE A 19 3.456 -0.129 -0.764 1.00 1.00 C ATOM 385 CZ PHE A 19 3.380 1.184 -0.345 1.00 1.00 C ATOM 0 H PHE A 19 7.149 -2.320 -0.426 1.00 1.00 H new ATOM 0 HA PHE A 19 7.716 -0.392 1.718 1.00 1.00 H new ATOM 0 HB2 PHE A 19 5.630 -2.589 1.448 1.00 1.00 H new ATOM 0 HB3 PHE A 19 5.755 -1.467 2.789 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.531 1.052 2.243 1.00 1.00 H new ATOM 0 HD2 PHE A 19 4.337 -2.042 -0.432 1.00 1.00 H new ATOM 0 HE1 PHE A 19 4.071 2.635 1.064 1.00 1.00 H new ATOM 0 HE2 PHE A 19 2.872 -0.462 -1.609 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.736 1.880 -0.862 1.00 1.00 H new ATOM 395 N GLU A 20 8.383 -2.114 3.522 1.00 1.00 N ATOM 396 CA GLU A 20 9.066 -3.023 4.427 1.00 1.00 C ATOM 397 C GLU A 20 8.050 -3.999 5.005 1.00 1.00 C ATOM 398 O GLU A 20 6.868 -3.673 5.121 1.00 1.00 O ATOM 399 CB GLU A 20 9.736 -2.241 5.561 1.00 1.00 C ATOM 400 CG GLU A 20 10.624 -1.100 5.089 1.00 1.00 C ATOM 401 CD GLU A 20 11.882 -1.578 4.399 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.865 -1.893 5.104 1.00 1.00 O ATOM 403 OE2 GLU A 20 11.904 -1.621 3.153 1.00 1.00 O ATOM 0 H GLU A 20 8.059 -1.250 3.957 1.00 1.00 H new ATOM 0 HA GLU A 20 9.836 -3.568 3.880 1.00 1.00 H new ATOM 0 HB2 GLU A 20 8.963 -1.839 6.216 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.334 -2.929 6.158 1.00 1.00 H new ATOM 0 HG2 GLU A 20 10.059 -0.466 4.405 1.00 1.00 H new ATOM 0 HG3 GLU A 20 10.897 -0.482 5.944 1.00 1.00 H new ATOM 410 N PRO A 21 8.481 -5.210 5.365 1.00 1.00 N ATOM 411 CA PRO A 21 7.588 -6.208 5.947 1.00 1.00 C ATOM 412 C PRO A 21 7.001 -5.733 7.276 1.00 1.00 C ATOM 413 O PRO A 21 5.848 -6.020 7.597 1.00 1.00 O ATOM 414 CB PRO A 21 8.476 -7.444 6.138 1.00 1.00 C ATOM 415 CG PRO A 21 9.884 -6.955 6.044 1.00 1.00 C ATOM 416 CD PRO A 21 9.861 -5.700 5.216 1.00 1.00 C ATOM 0 HA PRO A 21 6.726 -6.409 5.311 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.289 -7.914 7.104 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.271 -8.194 5.374 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.289 -6.755 7.036 1.00 1.00 H new ATOM 0 HG3 PRO A 21 10.524 -7.708 5.584 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.586 -4.970 5.575 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.103 -5.904 4.173 1.00 1.00 H new ATOM 424 N SER A 22 7.786 -4.969 8.022 1.00 1.00 N ATOM 425 CA SER A 22 7.354 -4.461 9.313 1.00 1.00 C ATOM 426 C SER A 22 6.561 -3.160 9.173 1.00 1.00 C ATOM 427 O SER A 22 6.177 -2.545 10.169 1.00 1.00 O ATOM 428 CB SER A 22 8.570 -4.254 10.216 1.00 1.00 C ATOM 429 OG SER A 22 9.624 -3.604 9.518 1.00 1.00 O ATOM 0 H SER A 22 8.729 -4.687 7.753 1.00 1.00 H new ATOM 0 HA SER A 22 6.689 -5.198 9.764 1.00 1.00 H new ATOM 0 HB2 SER A 22 8.285 -3.660 11.084 1.00 1.00 H new ATOM 0 HB3 SER A 22 8.917 -5.217 10.589 1.00 1.00 H new ATOM 0 HG SER A 22 10.388 -3.483 10.119 1.00 1.00 H new ATOM 435 N THR A 23 6.310 -2.741 7.938 1.00 1.00 N ATOM 436 CA THR A 23 5.544 -1.530 7.696 1.00 1.00 C ATOM 437 C THR A 23 4.058 -1.761 7.965 1.00 1.00 C ATOM 438 O THR A 23 3.435 -2.642 7.372 1.00 1.00 O ATOM 439 CB THR A 23 5.747 -1.017 6.255 1.00 1.00 C ATOM 440 OG1 THR A 23 7.126 -0.689 6.054 1.00 1.00 O ATOM 441 CG2 THR A 23 4.894 0.212 5.983 1.00 1.00 C ATOM 0 H THR A 23 6.625 -3.221 7.095 1.00 1.00 H new ATOM 0 HA THR A 23 5.910 -0.769 8.386 1.00 1.00 H new ATOM 0 HB THR A 23 5.444 -1.806 5.567 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.312 0.194 6.437 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.059 0.550 4.960 1.00 1.00 H new ATOM 0 HG22 THR A 23 3.842 -0.038 6.117 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.169 1.007 6.676 1.00 1.00 H new ATOM 449 N MET A 24 3.512 -0.984 8.891 1.00 1.00 N ATOM 450 CA MET A 24 2.092 -1.041 9.212 1.00 1.00 C ATOM 451 C MET A 24 1.287 -0.328 8.133 1.00 1.00 C ATOM 452 O MET A 24 1.823 0.505 7.408 1.00 1.00 O ATOM 453 CB MET A 24 1.832 -0.403 10.579 1.00 1.00 C ATOM 454 CG MET A 24 2.567 -1.094 11.718 1.00 1.00 C ATOM 455 SD MET A 24 2.350 -0.264 13.304 1.00 1.00 S ATOM 456 CE MET A 24 0.591 -0.476 13.567 1.00 1.00 C ATOM 0 H MET A 24 4.037 -0.301 9.437 1.00 1.00 H new ATOM 0 HA MET A 24 1.780 -2.085 9.252 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.132 0.644 10.546 1.00 1.00 H new ATOM 0 HB3 MET A 24 0.761 -0.422 10.783 1.00 1.00 H new ATOM 0 HG2 MET A 24 2.213 -2.122 11.801 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.630 -1.141 11.481 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.333 -0.158 14.577 1.00 1.00 H new ATOM 0 HE2 MET A 24 0.040 0.127 12.845 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.328 -1.526 13.439 1.00 1.00 H new ATOM 466 N VAL A 25 0.007 -0.654 8.031 1.00 1.00 N ATOM 467 CA VAL A 25 -0.850 -0.111 6.981 1.00 1.00 C ATOM 468 C VAL A 25 -0.887 1.420 6.990 1.00 1.00 C ATOM 469 O VAL A 25 -0.688 2.050 5.951 1.00 1.00 O ATOM 470 CB VAL A 25 -2.278 -0.676 7.091 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.227 0.024 6.130 1.00 1.00 C ATOM 472 CG2 VAL A 25 -2.258 -2.172 6.826 1.00 1.00 C ATOM 0 H VAL A 25 -0.466 -1.296 8.666 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.415 -0.422 6.031 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.643 -0.495 8.102 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -4.226 -0.399 6.233 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.258 1.089 6.360 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.878 -0.116 5.107 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -3.270 -2.569 6.905 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.872 -2.359 5.824 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.618 -2.663 7.559 1.00 1.00 H new ATOM 482 N TYR A 26 -1.108 2.019 8.158 1.00 1.00 N ATOM 483 CA TYR A 26 -1.180 3.479 8.259 1.00 1.00 C ATOM 484 C TYR A 26 0.178 4.101 7.951 1.00 1.00 C ATOM 485 O TYR A 26 0.277 5.278 7.596 1.00 1.00 O ATOM 486 CB TYR A 26 -1.645 3.916 9.656 1.00 1.00 C ATOM 487 CG TYR A 26 -0.547 3.937 10.702 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.070 2.764 11.270 1.00 1.00 C ATOM 489 CD2 TYR A 26 0.016 5.141 11.116 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.934 2.787 12.219 1.00 1.00 C ATOM 491 CE2 TYR A 26 1.020 5.170 12.063 1.00 1.00 C ATOM 492 CZ TYR A 26 1.475 3.992 12.611 1.00 1.00 C ATOM 493 OH TYR A 26 2.476 4.020 13.556 1.00 1.00 O ATOM 0 H TYR A 26 -1.239 1.524 9.040 1.00 1.00 H new ATOM 0 HA TYR A 26 -1.909 3.827 7.528 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.082 4.912 9.585 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.436 3.244 9.990 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -0.491 1.817 10.965 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.339 6.068 10.689 1.00 1.00 H new ATOM 0 HE1 TYR A 26 1.293 1.865 12.651 1.00 1.00 H new ATOM 0 HE2 TYR A 26 1.447 6.113 12.373 1.00 1.00 H new ATOM 0 HH TYR A 26 2.747 4.948 13.718 1.00 1.00 H new ATOM 503 N ASP A 27 1.220 3.307 8.126 1.00 1.00 N ATOM 504 CA ASP A 27 2.578 3.758 7.850 1.00 1.00 C ATOM 505 C ASP A 27 2.871 3.636 6.356 1.00 1.00 C ATOM 506 O ASP A 27 3.543 4.481 5.769 1.00 1.00 O ATOM 507 CB ASP A 27 3.584 2.944 8.671 1.00 1.00 C ATOM 508 CG ASP A 27 4.952 3.594 8.729 1.00 1.00 C ATOM 509 OD1 ASP A 27 5.123 4.553 9.514 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.866 3.140 8.014 1.00 1.00 O ATOM 0 H ASP A 27 1.154 2.345 8.458 1.00 1.00 H new ATOM 0 HA ASP A 27 2.673 4.805 8.138 1.00 1.00 H new ATOM 0 HB2 ASP A 27 3.203 2.818 9.684 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.678 1.947 8.239 1.00 1.00 H new ATOM 515 N ALA A 28 2.329 2.586 5.746 1.00 1.00 N ATOM 516 CA ALA A 28 2.491 2.341 4.317 1.00 1.00 C ATOM 517 C ALA A 28 1.774 3.403 3.496 1.00 1.00 C ATOM 518 O ALA A 28 2.334 3.946 2.542 1.00 1.00 O ATOM 519 CB ALA A 28 1.972 0.958 3.956 1.00 1.00 C ATOM 0 H ALA A 28 1.767 1.883 6.227 1.00 1.00 H new ATOM 0 HA ALA A 28 3.555 2.391 4.084 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.099 0.789 2.887 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.530 0.204 4.511 1.00 1.00 H new ATOM 0 HB3 ALA A 28 0.915 0.888 4.211 1.00 1.00 H new ATOM 525 N CYS A 29 0.535 3.703 3.872 1.00 1.00 N ATOM 526 CA CYS A 29 -0.236 4.728 3.184 1.00 1.00 C ATOM 527 C CYS A 29 0.420 6.090 3.379 1.00 1.00 C ATOM 528 O CYS A 29 0.301 6.984 2.540 1.00 1.00 O ATOM 529 CB CYS A 29 -1.685 4.745 3.687 1.00 1.00 C ATOM 530 SG CYS A 29 -1.869 5.073 5.453 1.00 1.00 S ATOM 0 H CYS A 29 0.047 3.252 4.646 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.254 4.498 2.119 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.239 5.502 3.131 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -2.145 3.783 3.460 1.00 1.00 H new ATOM 0 HG CYS A 29 -0.699 5.286 5.979 1.00 1.00 H new ATOM 536 N ARG A 30 1.137 6.221 4.487 1.00 1.00 N ATOM 537 CA ARG A 30 1.857 7.442 4.804 1.00 1.00 C ATOM 538 C ARG A 30 3.023 7.629 3.840 1.00 1.00 C ATOM 539 O ARG A 30 3.256 8.728 3.339 1.00 1.00 O ATOM 540 CB ARG A 30 2.384 7.375 6.236 1.00 1.00 C ATOM 541 CG ARG A 30 2.424 8.717 6.938 1.00 1.00 C ATOM 542 CD ARG A 30 1.021 9.255 7.159 1.00 1.00 C ATOM 543 NE ARG A 30 0.147 8.257 7.777 1.00 1.00 N ATOM 544 CZ ARG A 30 -0.915 8.552 8.521 1.00 1.00 C ATOM 545 NH1 ARG A 30 -1.206 9.815 8.804 1.00 1.00 N ATOM 546 NH2 ARG A 30 -1.678 7.575 8.990 1.00 1.00 N ATOM 0 H ARG A 30 1.234 5.486 5.187 1.00 1.00 H new ATOM 0 HA ARG A 30 1.176 8.287 4.708 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.758 6.693 6.812 1.00 1.00 H new ATOM 0 HB3 ARG A 30 3.389 6.952 6.224 1.00 1.00 H new ATOM 0 HG2 ARG A 30 2.934 8.616 7.896 1.00 1.00 H new ATOM 0 HG3 ARG A 30 3.000 9.426 6.343 1.00 1.00 H new ATOM 0 HD2 ARG A 30 1.067 10.140 7.793 1.00 1.00 H new ATOM 0 HD3 ARG A 30 0.597 9.568 6.205 1.00 1.00 H new ATOM 0 HE ARG A 30 0.366 7.272 7.627 1.00 1.00 H new ATOM 0 HH11 ARG A 30 -0.614 10.566 8.450 1.00 1.00 H new ATOM 0 HH12 ARG A 30 -2.022 10.035 9.375 1.00 1.00 H new ATOM 0 HH21 ARG A 30 -1.449 6.603 8.780 1.00 1.00 H new ATOM 0 HH22 ARG A 30 -2.494 7.795 9.561 1.00 1.00 H new ATOM 560 N MET A 31 3.739 6.535 3.578 1.00 1.00 N ATOM 561 CA MET A 31 4.893 6.558 2.685 1.00 1.00 C ATOM 562 C MET A 31 4.510 7.081 1.312 1.00 1.00 C ATOM 563 O MET A 31 5.261 7.828 0.696 1.00 1.00 O ATOM 564 CB MET A 31 5.505 5.161 2.534 1.00 1.00 C ATOM 565 CG MET A 31 6.170 4.628 3.790 1.00 1.00 C ATOM 566 SD MET A 31 6.983 3.040 3.513 1.00 1.00 S ATOM 567 CE MET A 31 7.663 2.727 5.140 1.00 1.00 C ATOM 0 H MET A 31 3.537 5.618 3.975 1.00 1.00 H new ATOM 0 HA MET A 31 5.630 7.225 3.132 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.723 4.466 2.229 1.00 1.00 H new ATOM 0 HB3 MET A 31 6.241 5.185 1.730 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.903 5.352 4.146 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.423 4.519 4.576 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.458 1.985 5.066 1.00 1.00 H new ATOM 0 HE2 MET A 31 8.068 3.653 5.549 1.00 1.00 H new ATOM 0 HE3 MET A 31 6.878 2.353 5.797 1.00 1.00 H new ATOM 577 N ILE A 32 3.332 6.697 0.840 1.00 1.00 N ATOM 578 CA ILE A 32 2.890 7.086 -0.492 1.00 1.00 C ATOM 579 C ILE A 32 2.695 8.583 -0.584 1.00 1.00 C ATOM 580 O ILE A 32 3.089 9.193 -1.562 1.00 1.00 O ATOM 581 CB ILE A 32 1.575 6.411 -0.896 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.655 4.915 -0.665 1.00 1.00 C ATOM 583 CG2 ILE A 32 1.272 6.704 -2.361 1.00 1.00 C ATOM 584 CD1 ILE A 32 0.302 4.282 -0.681 1.00 1.00 C ATOM 0 H ILE A 32 2.668 6.120 1.356 1.00 1.00 H new ATOM 0 HA ILE A 32 3.678 6.761 -1.172 1.00 1.00 H new ATOM 0 HB ILE A 32 0.770 6.811 -0.280 1.00 1.00 H new ATOM 0 HG12 ILE A 32 2.279 4.460 -1.435 1.00 1.00 H new ATOM 0 HG13 ILE A 32 2.137 4.720 0.293 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.336 6.222 -2.643 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.183 7.781 -2.506 1.00 1.00 H new ATOM 0 HG23 ILE A 32 2.080 6.320 -2.984 1.00 1.00 H new ATOM 0 HD11 ILE A 32 0.400 3.210 -0.512 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -0.313 4.719 0.106 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -0.169 4.455 -1.648 1.00 1.00 H new ATOM 596 N ARG A 33 2.092 9.170 0.437 1.00 1.00 N ATOM 597 CA ARG A 33 1.850 10.605 0.442 1.00 1.00 C ATOM 598 C ARG A 33 3.174 11.349 0.385 1.00 1.00 C ATOM 599 O ARG A 33 3.277 12.428 -0.193 1.00 1.00 O ATOM 600 CB ARG A 33 1.077 11.021 1.693 1.00 1.00 C ATOM 601 CG ARG A 33 -0.145 10.166 1.971 1.00 1.00 C ATOM 602 CD ARG A 33 -0.977 10.745 3.103 1.00 1.00 C ATOM 603 NE ARG A 33 -1.815 11.859 2.657 1.00 1.00 N ATOM 604 CZ ARG A 33 -1.666 13.124 3.052 1.00 1.00 C ATOM 605 NH1 ARG A 33 -0.657 13.472 3.845 1.00 1.00 N ATOM 606 NH2 ARG A 33 -2.522 14.048 2.633 1.00 1.00 N ATOM 0 H ARG A 33 1.763 8.679 1.268 1.00 1.00 H new ATOM 0 HA ARG A 33 1.252 10.858 -0.433 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.745 10.974 2.553 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.765 12.060 1.587 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -0.754 10.093 1.070 1.00 1.00 H new ATOM 0 HG3 ARG A 33 0.167 9.154 2.227 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -1.609 9.963 3.525 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -0.316 11.086 3.900 1.00 1.00 H new ATOM 0 HE ARG A 33 -2.566 11.653 1.998 1.00 1.00 H new ATOM 0 HH11 ARG A 33 0.012 12.769 4.157 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -0.552 14.442 4.141 1.00 1.00 H new ATOM 0 HH21 ARG A 33 -3.289 13.789 2.012 1.00 1.00 H new ATOM 0 HH22 ARG A 33 -2.413 15.017 2.932 1.00 1.00 H new ATOM 620 N GLU A 34 4.192 10.745 0.973 1.00 1.00 N ATOM 621 CA GLU A 34 5.512 11.344 1.000 1.00 1.00 C ATOM 622 C GLU A 34 6.253 11.096 -0.310 1.00 1.00 C ATOM 623 O GLU A 34 6.935 11.985 -0.821 1.00 1.00 O ATOM 624 CB GLU A 34 6.322 10.795 2.169 1.00 1.00 C ATOM 625 CG GLU A 34 5.630 10.945 3.510 1.00 1.00 C ATOM 626 CD GLU A 34 6.524 10.563 4.666 1.00 1.00 C ATOM 627 OE1 GLU A 34 6.827 9.365 4.825 1.00 1.00 O ATOM 628 OE2 GLU A 34 6.948 11.467 5.412 1.00 1.00 O ATOM 0 H GLU A 34 4.128 9.839 1.438 1.00 1.00 H new ATOM 0 HA GLU A 34 5.389 12.420 1.127 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.530 9.740 1.993 1.00 1.00 H new ATOM 0 HB3 GLU A 34 7.284 11.307 2.206 1.00 1.00 H new ATOM 0 HG2 GLU A 34 5.303 11.977 3.633 1.00 1.00 H new ATOM 0 HG3 GLU A 34 4.735 10.323 3.525 1.00 1.00 H new ATOM 635 N ARG A 35 6.106 9.898 -0.866 1.00 1.00 N ATOM 636 CA ARG A 35 6.864 9.522 -2.056 1.00 1.00 C ATOM 637 C ARG A 35 6.159 9.988 -3.324 1.00 1.00 C ATOM 638 O ARG A 35 6.799 10.415 -4.284 1.00 1.00 O ATOM 639 CB ARG A 35 7.074 8.007 -2.101 1.00 1.00 C ATOM 640 CG ARG A 35 7.849 7.457 -0.912 1.00 1.00 C ATOM 641 CD ARG A 35 9.242 8.055 -0.822 1.00 1.00 C ATOM 642 NE ARG A 35 10.028 7.791 -2.025 1.00 1.00 N ATOM 643 CZ ARG A 35 11.264 8.239 -2.225 1.00 1.00 C ATOM 644 NH1 ARG A 35 11.888 8.923 -1.274 1.00 1.00 N ATOM 645 NH2 ARG A 35 11.882 7.975 -3.369 1.00 1.00 N ATOM 0 H ARG A 35 5.476 9.176 -0.517 1.00 1.00 H new ATOM 0 HA ARG A 35 7.836 10.013 -2.002 1.00 1.00 H new ATOM 0 HB2 ARG A 35 6.102 7.516 -2.147 1.00 1.00 H new ATOM 0 HB3 ARG A 35 7.604 7.750 -3.018 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.303 7.668 0.007 1.00 1.00 H new ATOM 0 HG3 ARG A 35 7.924 6.373 -0.997 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.166 9.131 -0.667 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.758 7.644 0.046 1.00 1.00 H new ATOM 0 HE ARG A 35 9.601 7.226 -2.759 1.00 1.00 H new ATOM 0 HH11 ARG A 35 11.420 9.106 -0.387 1.00 1.00 H new ATOM 0 HH12 ARG A 35 12.836 9.265 -1.430 1.00 1.00 H new ATOM 0 HH21 ARG A 35 11.409 7.431 -4.090 1.00 1.00 H new ATOM 0 HH22 ARG A 35 12.830 8.316 -3.527 1.00 1.00 H new ATOM 659 N ILE A 36 4.841 9.905 -3.315 1.00 1.00 N ATOM 660 CA ILE A 36 4.026 10.282 -4.459 1.00 1.00 C ATOM 661 C ILE A 36 3.151 11.478 -4.084 1.00 1.00 C ATOM 662 O ILE A 36 2.405 11.420 -3.107 1.00 1.00 O ATOM 663 CB ILE A 36 3.114 9.110 -4.905 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.892 7.786 -4.940 1.00 1.00 C ATOM 665 CG2 ILE A 36 2.498 9.396 -6.267 1.00 1.00 C ATOM 666 CD1 ILE A 36 5.044 7.766 -5.922 1.00 1.00 C ATOM 0 H ILE A 36 4.303 9.574 -2.514 1.00 1.00 H new ATOM 0 HA ILE A 36 4.691 10.540 -5.283 1.00 1.00 H new ATOM 0 HB ILE A 36 2.312 9.015 -4.173 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.277 7.578 -3.942 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.203 6.980 -5.190 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.862 8.561 -6.561 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.900 10.306 -6.212 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.290 9.526 -7.004 1.00 1.00 H new ATOM 0 HD11 ILE A 36 5.539 6.796 -5.883 1.00 1.00 H new ATOM 0 HD12 ILE A 36 4.666 7.940 -6.930 1.00 1.00 H new ATOM 0 HD13 ILE A 36 5.758 8.548 -5.662 1.00 1.00 H new ATOM 678 N PRO A 37 3.197 12.569 -4.860 1.00 1.00 N ATOM 679 CA PRO A 37 2.456 13.798 -4.537 1.00 1.00 C ATOM 680 C PRO A 37 0.967 13.605 -4.748 1.00 1.00 C ATOM 681 O PRO A 37 0.137 14.362 -4.244 1.00 1.00 O ATOM 682 CB PRO A 37 2.996 14.788 -5.564 1.00 1.00 C ATOM 683 CG PRO A 37 3.267 13.918 -6.734 1.00 1.00 C ATOM 684 CD PRO A 37 3.922 12.703 -6.138 1.00 1.00 C ATOM 0 HA PRO A 37 2.581 14.113 -3.501 1.00 1.00 H new ATOM 0 HB2 PRO A 37 2.271 15.568 -5.797 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.899 15.287 -5.211 1.00 1.00 H new ATOM 0 HG2 PRO A 37 2.348 13.659 -7.260 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.919 14.410 -7.455 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.804 11.823 -6.770 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.992 12.847 -5.988 1.00 1.00 H new ATOM 692 N GLU A 38 0.643 12.563 -5.492 1.00 1.00 N ATOM 693 CA GLU A 38 -0.713 12.310 -5.910 1.00 1.00 C ATOM 694 C GLU A 38 -1.574 11.855 -4.730 1.00 1.00 C ATOM 695 O GLU A 38 -2.785 12.078 -4.706 1.00 1.00 O ATOM 696 CB GLU A 38 -0.715 11.272 -7.031 1.00 1.00 C ATOM 697 CG GLU A 38 0.130 11.703 -8.221 1.00 1.00 C ATOM 698 CD GLU A 38 0.167 10.677 -9.330 1.00 1.00 C ATOM 699 OE1 GLU A 38 -0.791 10.629 -10.126 1.00 1.00 O ATOM 700 OE2 GLU A 38 1.165 9.932 -9.425 1.00 1.00 O ATOM 0 H GLU A 38 1.317 11.871 -5.821 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.148 13.235 -6.288 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.339 10.324 -6.646 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -1.740 11.098 -7.360 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -0.262 12.641 -8.616 1.00 1.00 H new ATOM 0 HG3 GLU A 38 1.147 11.900 -7.883 1.00 1.00 H new ATOM 707 N ALA A 39 -0.937 11.230 -3.741 1.00 1.00 N ATOM 708 CA ALA A 39 -1.627 10.789 -2.536 1.00 1.00 C ATOM 709 C ALA A 39 -1.850 11.946 -1.558 1.00 1.00 C ATOM 710 O ALA A 39 -2.503 11.786 -0.527 1.00 1.00 O ATOM 711 CB ALA A 39 -0.831 9.681 -1.867 1.00 1.00 C ATOM 0 H ALA A 39 0.061 11.018 -3.754 1.00 1.00 H new ATOM 0 HA ALA A 39 -2.607 10.410 -2.826 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -1.350 9.353 -0.966 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -0.730 8.840 -2.553 1.00 1.00 H new ATOM 0 HB3 ALA A 39 0.158 10.053 -1.601 1.00 1.00 H new ATOM 717 N LEU A 40 -1.315 13.115 -1.891 1.00 1.00 N ATOM 718 CA LEU A 40 -1.418 14.284 -1.019 1.00 1.00 C ATOM 719 C LEU A 40 -2.674 15.093 -1.313 1.00 1.00 C ATOM 720 O LEU A 40 -2.919 16.119 -0.680 1.00 1.00 O ATOM 721 CB LEU A 40 -0.183 15.171 -1.172 1.00 1.00 C ATOM 722 CG LEU A 40 1.090 14.615 -0.538 1.00 1.00 C ATOM 723 CD1 LEU A 40 2.303 15.419 -0.975 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.973 14.626 0.978 1.00 1.00 C ATOM 0 H LEU A 40 -0.805 13.281 -2.759 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.480 13.924 0.008 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.001 15.335 -2.234 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -0.396 16.145 -0.731 1.00 1.00 H new ATOM 0 HG LEU A 40 1.218 13.586 -0.874 1.00 1.00 H new ATOM 0 HD11 LEU A 40 3.199 15.006 -0.512 1.00 1.00 H new ATOM 0 HD12 LEU A 40 2.400 15.371 -2.060 1.00 1.00 H new ATOM 0 HD13 LEU A 40 2.181 16.458 -0.667 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.888 14.227 1.416 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.821 15.648 1.324 1.00 1.00 H new ATOM 0 HD23 LEU A 40 0.126 14.010 1.282 1.00 1.00 H new ATOM 736 N ALA A 41 -3.476 14.619 -2.258 1.00 1.00 N ATOM 737 CA ALA A 41 -4.703 15.311 -2.643 1.00 1.00 C ATOM 738 C ALA A 41 -5.808 15.090 -1.617 1.00 1.00 C ATOM 739 O ALA A 41 -6.878 15.699 -1.696 1.00 1.00 O ATOM 740 CB ALA A 41 -5.157 14.850 -4.017 1.00 1.00 C ATOM 0 H ALA A 41 -3.300 13.757 -2.774 1.00 1.00 H new ATOM 0 HA ALA A 41 -4.490 16.379 -2.680 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -6.073 15.373 -4.292 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -4.380 15.069 -4.749 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -5.345 13.776 -3.997 1.00 1.00 H new ATOM 746 N GLY A 42 -5.548 14.210 -0.663 1.00 1.00 N ATOM 747 CA GLY A 42 -6.508 13.940 0.382 1.00 1.00 C ATOM 748 C GLY A 42 -5.846 13.387 1.625 1.00 1.00 C ATOM 749 O GLY A 42 -4.736 12.854 1.547 1.00 1.00 O ATOM 0 H GLY A 42 -4.682 13.675 -0.595 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.041 14.857 0.632 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.250 13.229 0.019 1.00 1.00 H new ATOM 753 N PRO A 43 -6.492 13.515 2.792 1.00 1.00 N ATOM 754 CA PRO A 43 -5.954 13.029 4.066 1.00 1.00 C ATOM 755 C PRO A 43 -5.942 11.522 4.151 1.00 1.00 C ATOM 756 O PRO A 43 -6.818 10.845 3.611 1.00 1.00 O ATOM 757 CB PRO A 43 -6.893 13.632 5.123 1.00 1.00 C ATOM 758 CG PRO A 43 -7.740 14.622 4.395 1.00 1.00 C ATOM 759 CD PRO A 43 -7.801 14.150 2.973 1.00 1.00 C ATOM 0 HA PRO A 43 -4.913 13.324 4.200 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -7.506 12.860 5.588 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -6.327 14.113 5.921 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -8.738 14.677 4.831 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -7.310 15.622 4.456 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -8.618 13.447 2.814 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -7.951 14.976 2.278 1.00 1.00 H new ATOM 767 N PRO A 44 -4.947 10.978 4.855 1.00 1.00 N ATOM 768 CA PRO A 44 -4.708 9.549 4.870 1.00 1.00 C ATOM 769 C PRO A 44 -5.783 8.767 5.625 1.00 1.00 C ATOM 770 O PRO A 44 -5.930 7.560 5.442 1.00 1.00 O ATOM 771 CB PRO A 44 -3.351 9.412 5.560 1.00 1.00 C ATOM 772 CG PRO A 44 -3.229 10.632 6.405 1.00 1.00 C ATOM 773 CD PRO A 44 -3.974 11.717 5.682 1.00 1.00 C ATOM 0 HA PRO A 44 -4.729 9.134 3.862 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -3.304 8.506 6.164 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -2.542 9.352 4.832 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -3.651 10.463 7.396 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -2.183 10.905 6.546 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -4.471 12.394 6.377 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -3.306 12.323 5.070 1.00 1.00 H new ATOM 781 N ASN A 45 -6.528 9.459 6.478 1.00 1.00 N ATOM 782 CA ASN A 45 -7.617 8.835 7.222 1.00 1.00 C ATOM 783 C ASN A 45 -8.907 8.888 6.412 1.00 1.00 C ATOM 784 O ASN A 45 -9.810 8.071 6.603 1.00 1.00 O ATOM 785 CB ASN A 45 -7.822 9.512 8.585 1.00 1.00 C ATOM 786 CG ASN A 45 -8.194 10.982 8.478 1.00 1.00 C ATOM 787 OD1 ASN A 45 -7.721 11.698 7.595 1.00 1.00 O ATOM 788 ND2 ASN A 45 -9.061 11.435 9.370 1.00 1.00 N ATOM 0 H ASN A 45 -6.399 10.452 6.672 1.00 1.00 H new ATOM 0 HA ASN A 45 -7.348 7.794 7.399 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -8.605 8.985 9.130 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -6.908 9.418 9.171 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -9.360 12.410 9.341 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -9.430 10.809 10.086 1.00 1.00 H new ATOM 795 N ASP A 46 -8.982 9.857 5.507 1.00 1.00 N ATOM 796 CA ASP A 46 -10.120 9.980 4.603 1.00 1.00 C ATOM 797 C ASP A 46 -9.963 8.973 3.473 1.00 1.00 C ATOM 798 O ASP A 46 -10.936 8.495 2.882 1.00 1.00 O ATOM 799 CB ASP A 46 -10.206 11.406 4.047 1.00 1.00 C ATOM 800 CG ASP A 46 -11.511 11.680 3.327 1.00 1.00 C ATOM 801 OD1 ASP A 46 -12.582 11.470 3.935 1.00 1.00 O ATOM 802 OD2 ASP A 46 -11.479 12.143 2.166 1.00 1.00 O ATOM 0 H ASP A 46 -8.265 10.572 5.379 1.00 1.00 H new ATOM 0 HA ASP A 46 -11.043 9.775 5.145 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -10.092 12.117 4.865 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -9.376 11.574 3.361 1.00 1.00 H new ATOM 807 N PHE A 47 -8.709 8.656 3.195 1.00 1.00 N ATOM 808 CA PHE A 47 -8.348 7.622 2.242 1.00 1.00 C ATOM 809 C PHE A 47 -8.016 6.337 2.992 1.00 1.00 C ATOM 810 O PHE A 47 -8.244 6.240 4.198 1.00 1.00 O ATOM 811 CB PHE A 47 -7.142 8.069 1.406 1.00 1.00 C ATOM 812 CG PHE A 47 -7.451 9.130 0.385 1.00 1.00 C ATOM 813 CD1 PHE A 47 -8.131 10.285 0.736 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.051 8.971 -0.932 1.00 1.00 C ATOM 815 CE1 PHE A 47 -8.409 11.256 -0.204 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.325 9.939 -1.877 1.00 1.00 C ATOM 817 CZ PHE A 47 -8.007 11.084 -1.512 1.00 1.00 C ATOM 0 H PHE A 47 -7.907 9.114 3.629 1.00 1.00 H new ATOM 0 HA PHE A 47 -9.188 7.443 1.571 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -6.369 8.442 2.077 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.728 7.200 0.895 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -8.448 10.427 1.759 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -6.518 8.078 -1.223 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -8.941 12.150 0.084 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.007 9.802 -2.900 1.00 1.00 H new ATOM 0 HZ PHE A 47 -8.225 11.843 -2.249 1.00 1.00 H new ATOM 827 N GLY A 48 -7.494 5.353 2.282 1.00 1.00 N ATOM 828 CA GLY A 48 -7.076 4.123 2.918 1.00 1.00 C ATOM 829 C GLY A 48 -6.432 3.168 1.941 1.00 1.00 C ATOM 830 O GLY A 48 -6.384 3.440 0.739 1.00 1.00 O ATOM 0 H GLY A 48 -7.351 5.383 1.272 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -6.373 4.351 3.719 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.939 3.642 3.379 1.00 1.00 H new ATOM 834 N LEU A 49 -5.932 2.054 2.455 1.00 1.00 N ATOM 835 CA LEU A 49 -5.313 1.039 1.616 1.00 1.00 C ATOM 836 C LEU A 49 -6.297 -0.081 1.322 1.00 1.00 C ATOM 837 O LEU A 49 -6.856 -0.692 2.236 1.00 1.00 O ATOM 838 CB LEU A 49 -4.051 0.478 2.276 1.00 1.00 C ATOM 839 CG LEU A 49 -2.876 1.455 2.365 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.674 0.789 3.014 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.510 1.973 0.983 1.00 1.00 C ATOM 0 H LEU A 49 -5.943 1.830 3.450 1.00 1.00 H new ATOM 0 HA LEU A 49 -5.026 1.508 0.675 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -4.304 0.145 3.283 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.730 -0.403 1.720 1.00 1.00 H new ATOM 0 HG LEU A 49 -3.179 2.299 2.984 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.849 1.500 3.068 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.938 0.462 4.020 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -1.371 -0.073 2.420 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.673 2.666 1.064 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -2.228 1.136 0.344 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -3.367 2.488 0.549 1.00 1.00 H new ATOM 853 N PHE A 50 -6.501 -0.340 0.044 1.00 1.00 N ATOM 854 CA PHE A 50 -7.461 -1.337 -0.398 1.00 1.00 C ATOM 855 C PHE A 50 -6.754 -2.433 -1.182 1.00 1.00 C ATOM 856 O PHE A 50 -6.225 -2.187 -2.264 1.00 1.00 O ATOM 857 CB PHE A 50 -8.539 -0.669 -1.262 1.00 1.00 C ATOM 858 CG PHE A 50 -9.554 -1.618 -1.833 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.589 -2.099 -1.050 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.473 -2.024 -3.157 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.525 -2.968 -1.574 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.407 -2.893 -3.686 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.433 -3.366 -2.893 1.00 1.00 C ATOM 0 H PHE A 50 -6.009 0.132 -0.715 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.937 -1.788 0.473 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -9.057 0.079 -0.661 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.054 -0.139 -2.082 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.665 -1.791 -0.018 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.671 -1.657 -3.781 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.328 -3.336 -0.953 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.335 -3.202 -4.718 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.163 -4.047 -3.304 1.00 1.00 H new ATOM 873 N LEU A 51 -6.732 -3.634 -0.626 1.00 1.00 N ATOM 874 CA LEU A 51 -6.109 -4.767 -1.288 1.00 1.00 C ATOM 875 C LEU A 51 -6.956 -5.149 -2.496 1.00 1.00 C ATOM 876 O LEU A 51 -8.071 -5.655 -2.348 1.00 1.00 O ATOM 877 CB LEU A 51 -5.977 -5.946 -0.313 1.00 1.00 C ATOM 878 CG LEU A 51 -4.919 -7.002 -0.662 1.00 1.00 C ATOM 879 CD1 LEU A 51 -4.703 -7.935 0.518 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.321 -7.806 -1.891 1.00 1.00 C ATOM 0 H LEU A 51 -7.140 -3.849 0.284 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.106 -4.501 -1.621 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.750 -5.548 0.676 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.945 -6.442 -0.243 1.00 1.00 H new ATOM 0 HG LEU A 51 -3.988 -6.481 -0.888 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.951 -8.680 0.260 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -4.363 -7.360 1.379 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.640 -8.435 0.763 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.550 -8.545 -2.111 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -6.266 -8.314 -1.700 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -5.435 -7.136 -2.743 1.00 1.00 H new ATOM 892 N SER A 52 -6.431 -4.884 -3.680 1.00 1.00 N ATOM 893 CA SER A 52 -7.184 -5.070 -4.907 1.00 1.00 C ATOM 894 C SER A 52 -7.300 -6.541 -5.283 1.00 1.00 C ATOM 895 O SER A 52 -6.334 -7.306 -5.192 1.00 1.00 O ATOM 896 CB SER A 52 -6.520 -4.292 -6.038 1.00 1.00 C ATOM 897 OG SER A 52 -6.352 -2.934 -5.679 1.00 1.00 O ATOM 0 H SER A 52 -5.481 -4.538 -3.817 1.00 1.00 H new ATOM 0 HA SER A 52 -8.193 -4.693 -4.742 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.551 -4.734 -6.271 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.128 -4.362 -6.940 1.00 1.00 H new ATOM 0 HG SER A 52 -7.173 -2.439 -5.880 1.00 1.00 H new ATOM 903 N ASP A 53 -8.491 -6.925 -5.706 1.00 1.00 N ATOM 904 CA ASP A 53 -8.743 -8.270 -6.192 1.00 1.00 C ATOM 905 C ASP A 53 -9.400 -8.169 -7.564 1.00 1.00 C ATOM 906 O ASP A 53 -9.491 -7.077 -8.126 1.00 1.00 O ATOM 907 CB ASP A 53 -9.644 -9.030 -5.208 1.00 1.00 C ATOM 908 CG ASP A 53 -9.649 -10.527 -5.449 1.00 1.00 C ATOM 909 OD1 ASP A 53 -8.751 -11.220 -4.927 1.00 1.00 O ATOM 910 OD2 ASP A 53 -10.549 -11.020 -6.167 1.00 1.00 O ATOM 0 H ASP A 53 -9.309 -6.315 -5.722 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.807 -8.822 -6.276 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.310 -8.832 -4.190 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.663 -8.651 -5.288 1.00 1.00 H new ATOM 915 N ASP A 54 -9.854 -9.283 -8.111 1.00 1.00 N ATOM 916 CA ASP A 54 -10.540 -9.265 -9.394 1.00 1.00 C ATOM 917 C ASP A 54 -11.996 -8.893 -9.188 1.00 1.00 C ATOM 918 O ASP A 54 -12.672 -8.426 -10.105 1.00 1.00 O ATOM 919 CB ASP A 54 -10.424 -10.616 -10.100 1.00 1.00 C ATOM 920 CG ASP A 54 -8.992 -10.941 -10.464 1.00 1.00 C ATOM 921 OD1 ASP A 54 -8.381 -10.161 -11.226 1.00 1.00 O ATOM 922 OD2 ASP A 54 -8.463 -11.968 -9.981 1.00 1.00 O ATOM 0 H ASP A 54 -9.762 -10.208 -7.691 1.00 1.00 H new ATOM 0 HA ASP A 54 -10.067 -8.518 -10.032 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.821 -11.399 -9.454 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -11.035 -10.608 -11.003 1.00 1.00 H new ATOM 927 N ASP A 55 -12.464 -9.094 -7.966 1.00 1.00 N ATOM 928 CA ASP A 55 -13.802 -8.681 -7.581 1.00 1.00 C ATOM 929 C ASP A 55 -13.711 -7.551 -6.563 1.00 1.00 C ATOM 930 O ASP A 55 -13.006 -7.673 -5.557 1.00 1.00 O ATOM 931 CB ASP A 55 -14.583 -9.856 -6.994 1.00 1.00 C ATOM 932 CG ASP A 55 -16.033 -9.510 -6.733 1.00 1.00 C ATOM 933 OD1 ASP A 55 -16.322 -8.828 -5.729 1.00 1.00 O ATOM 934 OD2 ASP A 55 -16.897 -9.917 -7.537 1.00 1.00 O ATOM 0 H ASP A 55 -11.932 -9.544 -7.221 1.00 1.00 H new ATOM 0 HA ASP A 55 -14.331 -8.330 -8.467 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -14.532 -10.702 -7.679 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -14.114 -10.172 -6.062 1.00 1.00 H new ATOM 939 N PRO A 56 -14.415 -6.436 -6.812 1.00 1.00 N ATOM 940 CA PRO A 56 -14.348 -5.240 -5.962 1.00 1.00 C ATOM 941 C PRO A 56 -14.783 -5.492 -4.517 1.00 1.00 C ATOM 942 O PRO A 56 -14.297 -4.834 -3.597 1.00 1.00 O ATOM 943 CB PRO A 56 -15.305 -4.251 -6.641 1.00 1.00 C ATOM 944 CG PRO A 56 -16.171 -5.084 -7.522 1.00 1.00 C ATOM 945 CD PRO A 56 -15.325 -6.246 -7.953 1.00 1.00 C ATOM 0 HA PRO A 56 -13.322 -4.880 -5.880 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.899 -3.709 -5.904 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.757 -3.507 -7.218 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -17.058 -5.424 -6.988 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.517 -4.512 -8.383 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.927 -7.135 -8.141 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.780 -6.029 -8.872 1.00 1.00 H new ATOM 953 N LYS A 57 -15.681 -6.447 -4.312 1.00 1.00 N ATOM 954 CA LYS A 57 -16.207 -6.714 -2.978 1.00 1.00 C ATOM 955 C LYS A 57 -15.380 -7.783 -2.275 1.00 1.00 C ATOM 956 O LYS A 57 -15.462 -7.954 -1.057 1.00 1.00 O ATOM 957 CB LYS A 57 -17.674 -7.135 -3.051 1.00 1.00 C ATOM 958 CG LYS A 57 -18.574 -6.088 -3.684 1.00 1.00 C ATOM 959 CD LYS A 57 -20.037 -6.490 -3.602 1.00 1.00 C ATOM 960 CE LYS A 57 -20.937 -5.477 -4.288 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.751 -4.105 -3.748 1.00 1.00 N ATOM 0 H LYS A 57 -16.059 -7.046 -5.046 1.00 1.00 H new ATOM 0 HA LYS A 57 -16.141 -5.794 -2.398 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.750 -8.061 -3.621 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -18.033 -7.350 -2.044 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -18.430 -5.131 -3.182 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -18.292 -5.947 -4.727 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -20.172 -7.468 -4.064 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -20.330 -6.588 -2.557 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -20.730 -5.476 -5.358 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -21.978 -5.776 -4.165 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.496 -3.482 -4.120 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -20.807 -4.130 -2.710 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -19.820 -3.742 -4.036 1.00 1.00 H new ATOM 975 N LYS A 58 -14.577 -8.501 -3.048 1.00 1.00 N ATOM 976 CA LYS A 58 -13.673 -9.493 -2.485 1.00 1.00 C ATOM 977 C LYS A 58 -12.385 -8.821 -2.019 1.00 1.00 C ATOM 978 O LYS A 58 -11.600 -9.404 -1.269 1.00 1.00 O ATOM 979 CB LYS A 58 -13.378 -10.596 -3.502 1.00 1.00 C ATOM 980 CG LYS A 58 -14.557 -11.529 -3.743 1.00 1.00 C ATOM 981 CD LYS A 58 -14.864 -12.369 -2.510 1.00 1.00 C ATOM 982 CE LYS A 58 -16.081 -13.260 -2.717 1.00 1.00 C ATOM 983 NZ LYS A 58 -17.350 -12.485 -2.719 1.00 1.00 N ATOM 0 H LYS A 58 -14.533 -8.415 -4.063 1.00 1.00 H new ATOM 0 HA LYS A 58 -14.153 -9.956 -1.623 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -13.087 -10.139 -4.448 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -12.526 -11.181 -3.155 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -15.436 -10.944 -4.014 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -14.338 -12.184 -4.586 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -13.999 -12.987 -2.267 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -15.036 -11.712 -1.657 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -15.982 -13.794 -3.662 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -16.117 -14.012 -1.928 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -18.155 -13.137 -2.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -17.435 -11.955 -1.828 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -17.349 -11.820 -3.519 1.00 1.00 H new ATOM 997 N GLY A 59 -12.180 -7.588 -2.471 1.00 1.00 N ATOM 998 CA GLY A 59 -11.071 -6.793 -1.991 1.00 1.00 C ATOM 999 C GLY A 59 -11.327 -6.297 -0.585 1.00 1.00 C ATOM 1000 O GLY A 59 -12.483 -6.135 -0.181 1.00 1.00 O ATOM 0 H GLY A 59 -12.767 -7.126 -3.165 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -10.158 -7.388 -2.010 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -10.913 -5.944 -2.656 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.267 -6.048 0.164 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.402 -5.700 1.571 1.00 1.00 C ATOM 1006 C ILE A 60 -9.659 -4.418 1.915 1.00 1.00 C ATOM 1007 O ILE A 60 -8.637 -4.093 1.307 1.00 1.00 O ATOM 1008 CB ILE A 60 -9.883 -6.830 2.483 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.464 -7.234 2.072 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -10.822 -8.025 2.438 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -7.833 -8.263 2.983 1.00 1.00 C ATOM 0 H ILE A 60 -9.306 -6.080 -0.175 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.468 -5.550 1.744 1.00 1.00 H new ATOM 0 HB ILE A 60 -9.851 -6.464 3.509 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.489 -7.629 1.056 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -7.834 -6.344 2.053 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.440 -8.813 3.087 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -11.812 -7.723 2.778 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.888 -8.398 1.416 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.830 -8.498 2.627 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -7.775 -7.865 3.996 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.439 -9.169 2.983 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.185 -3.694 2.889 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.514 -2.525 3.424 1.00 1.00 C ATOM 1025 C TRP A 61 -8.601 -2.947 4.564 1.00 1.00 C ATOM 1026 O TRP A 61 -9.051 -3.560 5.536 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.529 -1.492 3.908 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.332 -0.903 2.797 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.551 -1.325 2.375 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.973 0.201 1.964 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.985 -0.547 1.329 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -12.030 0.398 1.056 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.860 1.045 1.896 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -12.006 1.403 0.095 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.841 2.041 0.941 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.903 2.211 0.055 1.00 1.00 C ATOM 0 H TRP A 61 -11.083 -3.899 3.327 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.919 -2.065 2.635 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.201 -1.960 4.627 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -10.005 -0.694 4.434 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.100 -2.152 2.800 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.872 -0.655 0.837 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -9.032 0.920 2.578 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.827 1.540 -0.593 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.988 2.700 0.879 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.854 3.000 -0.681 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.321 -2.637 4.434 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.331 -3.076 5.403 1.00 1.00 C ATOM 1049 C LEU A 62 -6.410 -2.263 6.691 1.00 1.00 C ATOM 1050 O LEU A 62 -6.528 -1.035 6.665 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.918 -3.000 4.817 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.598 -4.031 3.730 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -5.238 -3.651 2.407 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -3.094 -4.190 3.572 1.00 1.00 C ATOM 0 H LEU A 62 -6.943 -2.082 3.666 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.554 -4.115 5.644 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.769 -2.003 4.403 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.200 -3.119 5.629 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.017 -4.988 4.041 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -4.993 -4.401 1.655 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -6.320 -3.598 2.528 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.861 -2.680 2.086 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -2.886 -4.926 2.796 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.654 -3.233 3.292 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -2.662 -4.525 4.515 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.361 -2.974 7.810 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.384 -2.365 9.133 1.00 1.00 C ATOM 1068 C GLU A 63 -5.081 -1.620 9.412 1.00 1.00 C ATOM 1069 O GLU A 63 -4.000 -2.201 9.331 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.596 -3.448 10.187 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.873 -4.249 9.996 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.892 -5.511 10.830 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.633 -5.430 12.046 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -8.137 -6.599 10.264 1.00 1.00 O ATOM 0 H GLU A 63 -6.304 -3.992 7.825 1.00 1.00 H new ATOM 0 HA GLU A 63 -7.203 -1.647 9.172 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.745 -4.129 10.171 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.614 -2.984 11.173 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.730 -3.629 10.260 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.981 -4.511 8.943 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.205 -0.348 9.765 1.00 1.00 N ATOM 1082 CA ALA A 64 -4.060 0.529 10.018 1.00 1.00 C ATOM 1083 C ALA A 64 -3.139 -0.026 11.102 1.00 1.00 C ATOM 1084 O ALA A 64 -1.920 0.138 11.030 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.566 1.906 10.418 1.00 1.00 C ATOM 0 H ALA A 64 -6.107 0.112 9.886 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.474 0.594 9.101 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.718 2.564 10.608 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.173 2.319 9.612 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.171 1.823 11.321 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.721 -0.693 12.092 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.940 -1.224 13.193 1.00 1.00 C ATOM 1093 C GLY A 65 -2.256 -2.535 12.854 1.00 1.00 C ATOM 1094 O GLY A 65 -1.582 -3.130 13.695 1.00 1.00 O ATOM 0 H GLY A 65 -4.723 -0.876 12.152 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.187 -0.492 13.484 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.590 -1.372 14.055 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.419 -2.986 11.622 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.801 -4.222 11.179 1.00 1.00 C ATOM 1100 C LYS A 66 -0.682 -3.919 10.190 1.00 1.00 C ATOM 1101 O LYS A 66 -0.692 -2.879 9.531 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.851 -5.141 10.548 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.995 -5.481 11.494 1.00 1.00 C ATOM 1104 CD LYS A 66 -3.519 -6.315 12.672 1.00 1.00 C ATOM 1105 CE LYS A 66 -4.521 -6.305 13.819 1.00 1.00 C ATOM 1106 NZ LYS A 66 -5.854 -6.834 13.426 1.00 1.00 N ATOM 0 H LYS A 66 -2.976 -2.513 10.910 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.372 -4.735 12.040 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.255 -4.662 9.656 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -2.370 -6.064 10.224 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.451 -4.561 11.860 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.767 -6.025 10.951 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -3.352 -7.341 12.346 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.561 -5.932 13.024 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.128 -6.900 14.643 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.634 -5.285 14.187 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -6.458 -6.915 14.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -6.297 -6.186 12.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -5.741 -7.771 12.990 1.00 1.00 H new ATOM 1120 N ALA A 67 0.291 -4.810 10.109 1.00 1.00 N ATOM 1121 CA ALA A 67 1.417 -4.628 9.205 1.00 1.00 C ATOM 1122 C ALA A 67 1.125 -5.248 7.845 1.00 1.00 C ATOM 1123 O ALA A 67 0.194 -6.036 7.703 1.00 1.00 O ATOM 1124 CB ALA A 67 2.677 -5.233 9.806 1.00 1.00 C ATOM 0 H ALA A 67 0.325 -5.669 10.659 1.00 1.00 H new ATOM 0 HA ALA A 67 1.575 -3.559 9.063 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.512 -5.090 9.120 1.00 1.00 H new ATOM 0 HB2 ALA A 67 2.899 -4.744 10.754 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.524 -6.299 9.975 1.00 1.00 H new ATOM 1130 N LEU A 68 1.923 -4.890 6.852 1.00 1.00 N ATOM 1131 CA LEU A 68 1.758 -5.424 5.505 1.00 1.00 C ATOM 1132 C LEU A 68 2.119 -6.905 5.459 1.00 1.00 C ATOM 1133 O LEU A 68 1.506 -7.682 4.721 1.00 1.00 O ATOM 1134 CB LEU A 68 2.621 -4.645 4.516 1.00 1.00 C ATOM 1135 CG LEU A 68 2.287 -3.157 4.400 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.142 -2.513 3.327 1.00 1.00 C ATOM 1137 CD2 LEU A 68 0.808 -2.956 4.095 1.00 1.00 C ATOM 0 H LEU A 68 2.694 -4.230 6.952 1.00 1.00 H new ATOM 0 HA LEU A 68 0.710 -5.316 5.224 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.666 -4.746 4.810 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.522 -5.102 3.532 1.00 1.00 H new ATOM 0 HG LEU A 68 2.503 -2.679 5.356 1.00 1.00 H new ATOM 0 HD11 LEU A 68 2.896 -1.454 3.253 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.195 -2.624 3.586 1.00 1.00 H new ATOM 0 HD13 LEU A 68 2.951 -2.998 2.370 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.594 -1.890 4.017 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.561 -3.445 3.153 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.209 -3.388 4.897 1.00 1.00 H new ATOM 1149 N ASP A 69 3.103 -7.295 6.266 1.00 1.00 N ATOM 1150 CA ASP A 69 3.538 -8.690 6.338 1.00 1.00 C ATOM 1151 C ASP A 69 2.432 -9.571 6.914 1.00 1.00 C ATOM 1152 O ASP A 69 2.380 -10.775 6.661 1.00 1.00 O ATOM 1153 CB ASP A 69 4.801 -8.809 7.192 1.00 1.00 C ATOM 1154 CG ASP A 69 5.309 -10.231 7.290 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.752 -10.776 6.260 1.00 1.00 O ATOM 1156 OD2 ASP A 69 5.264 -10.809 8.397 1.00 1.00 O ATOM 0 H ASP A 69 3.616 -6.664 6.881 1.00 1.00 H new ATOM 0 HA ASP A 69 3.761 -9.031 5.327 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.582 -8.177 6.768 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.594 -8.432 8.194 1.00 1.00 H new ATOM 1161 N TYR A 70 1.539 -8.947 7.669 1.00 1.00 N ATOM 1162 CA TYR A 70 0.405 -9.638 8.271 1.00 1.00 C ATOM 1163 C TYR A 70 -0.476 -10.250 7.188 1.00 1.00 C ATOM 1164 O TYR A 70 -1.050 -11.324 7.360 1.00 1.00 O ATOM 1165 CB TYR A 70 -0.418 -8.639 9.087 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.424 -9.267 10.028 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -2.666 -9.696 9.576 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -1.127 -9.422 11.375 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -3.581 -10.264 10.441 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -2.037 -9.988 12.245 1.00 1.00 C ATOM 1171 CZ TYR A 70 -3.261 -10.408 11.774 1.00 1.00 C ATOM 1172 OH TYR A 70 -4.170 -10.969 12.641 1.00 1.00 O ATOM 0 H TYR A 70 1.579 -7.950 7.882 1.00 1.00 H new ATOM 0 HA TYR A 70 0.776 -10.433 8.918 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.263 -8.017 9.668 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.947 -7.978 8.400 1.00 1.00 H new ATOM 0 HD1 TYR A 70 -2.920 -9.584 8.532 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -0.168 -9.094 11.749 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -4.542 -10.594 10.075 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -1.790 -10.101 13.290 1.00 1.00 H new ATOM 0 HH TYR A 70 -3.787 -10.998 13.543 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.557 -9.552 6.066 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.464 -9.912 4.989 1.00 1.00 C ATOM 1184 C TYR A 71 -0.769 -10.771 3.938 1.00 1.00 C ATOM 1185 O TYR A 71 -1.403 -11.228 2.987 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.012 -8.639 4.348 1.00 1.00 C ATOM 1187 CG TYR A 71 -2.911 -7.833 5.257 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -2.377 -7.051 6.272 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -4.290 -7.851 5.099 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -3.188 -6.313 7.106 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -5.109 -7.113 5.931 1.00 1.00 C ATOM 1192 CZ TYR A 71 -4.552 -6.347 6.934 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.360 -5.608 7.766 1.00 1.00 O ATOM 0 H TYR A 71 0.004 -8.721 5.877 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.282 -10.500 5.406 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.176 -8.014 4.033 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.567 -8.907 3.449 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -1.306 -7.021 6.410 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -4.728 -8.450 4.315 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -2.755 -5.711 7.891 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -6.180 -7.136 5.797 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.159 -6.128 7.992 1.00 1.00 H new ATOM 1203 N MET A 72 0.532 -10.996 4.129 1.00 1.00 N ATOM 1204 CA MET A 72 1.343 -11.770 3.187 1.00 1.00 C ATOM 1205 C MET A 72 1.329 -11.128 1.803 1.00 1.00 C ATOM 1206 O MET A 72 1.074 -11.790 0.793 1.00 1.00 O ATOM 1207 CB MET A 72 0.859 -13.223 3.104 1.00 1.00 C ATOM 1208 CG MET A 72 1.015 -13.995 4.402 1.00 1.00 C ATOM 1209 SD MET A 72 0.448 -15.701 4.264 1.00 1.00 S ATOM 1210 CE MET A 72 0.728 -16.287 5.934 1.00 1.00 C ATOM 0 H MET A 72 1.051 -10.649 4.936 1.00 1.00 H new ATOM 0 HA MET A 72 2.368 -11.772 3.558 1.00 1.00 H new ATOM 0 HB2 MET A 72 -0.191 -13.230 2.811 1.00 1.00 H new ATOM 0 HB3 MET A 72 1.413 -13.736 2.318 1.00 1.00 H new ATOM 0 HG2 MET A 72 2.063 -13.987 4.702 1.00 1.00 H new ATOM 0 HG3 MET A 72 0.454 -13.492 5.190 1.00 1.00 H new ATOM 0 HE1 MET A 72 0.425 -17.331 6.009 1.00 1.00 H new ATOM 0 HE2 MET A 72 1.787 -16.198 6.178 1.00 1.00 H new ATOM 0 HE3 MET A 72 0.143 -15.689 6.632 1.00 1.00 H new ATOM 1220 N LEU A 73 1.599 -9.832 1.764 1.00 1.00 N ATOM 1221 CA LEU A 73 1.668 -9.105 0.505 1.00 1.00 C ATOM 1222 C LEU A 73 2.972 -9.436 -0.207 1.00 1.00 C ATOM 1223 O LEU A 73 4.017 -9.583 0.429 1.00 1.00 O ATOM 1224 CB LEU A 73 1.548 -7.601 0.749 1.00 1.00 C ATOM 1225 CG LEU A 73 0.230 -7.155 1.386 1.00 1.00 C ATOM 1226 CD1 LEU A 73 0.214 -5.648 1.587 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.948 -7.589 0.528 1.00 1.00 C ATOM 0 H LEU A 73 1.774 -9.261 2.591 1.00 1.00 H new ATOM 0 HA LEU A 73 0.836 -9.409 -0.129 1.00 1.00 H new ATOM 0 HB2 LEU A 73 2.370 -7.285 1.391 1.00 1.00 H new ATOM 0 HB3 LEU A 73 1.669 -7.083 -0.202 1.00 1.00 H new ATOM 0 HG LEU A 73 0.142 -7.632 2.362 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.732 -5.352 2.041 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.037 -5.359 2.241 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.325 -5.151 0.623 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -1.878 -7.264 0.995 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.863 -7.140 -0.461 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.949 -8.675 0.434 1.00 1.00 H new ATOM 1239 N ARG A 74 2.910 -9.566 -1.522 1.00 1.00 N ATOM 1240 CA ARG A 74 4.055 -10.018 -2.295 1.00 1.00 C ATOM 1241 C ARG A 74 4.388 -9.012 -3.382 1.00 1.00 C ATOM 1242 O ARG A 74 3.625 -8.078 -3.628 1.00 1.00 O ATOM 1243 CB ARG A 74 3.741 -11.363 -2.949 1.00 1.00 C ATOM 1244 CG ARG A 74 3.068 -12.360 -2.021 1.00 1.00 C ATOM 1245 CD ARG A 74 2.268 -13.371 -2.816 1.00 1.00 C ATOM 1246 NE ARG A 74 1.349 -12.710 -3.741 1.00 1.00 N ATOM 1247 CZ ARG A 74 0.823 -13.290 -4.815 1.00 1.00 C ATOM 1248 NH1 ARG A 74 1.044 -14.578 -5.057 1.00 1.00 N ATOM 1249 NH2 ARG A 74 0.053 -12.583 -5.633 1.00 1.00 N ATOM 0 H ARG A 74 2.078 -9.365 -2.077 1.00 1.00 H new ATOM 0 HA ARG A 74 4.906 -10.121 -1.622 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.097 -11.194 -3.812 1.00 1.00 H new ATOM 0 HB3 ARG A 74 4.668 -11.799 -3.323 1.00 1.00 H new ATOM 0 HG2 ARG A 74 3.820 -12.873 -1.422 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.413 -11.834 -1.327 1.00 1.00 H new ATOM 0 HD2 ARG A 74 2.946 -14.018 -3.373 1.00 1.00 H new ATOM 0 HD3 ARG A 74 1.706 -14.010 -2.135 1.00 1.00 H new ATOM 0 HE ARG A 74 1.095 -11.741 -3.550 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.619 -15.126 -4.417 1.00 1.00 H new ATOM 0 HH12 ARG A 74 0.638 -15.019 -5.882 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.132 -11.600 -5.436 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -0.353 -13.023 -6.459 1.00 1.00 H new ATOM 1263 N ASN A 75 5.524 -9.213 -4.034 1.00 1.00 N ATOM 1264 CA ASN A 75 5.892 -8.388 -5.171 1.00 1.00 C ATOM 1265 C ASN A 75 4.919 -8.631 -6.318 1.00 1.00 C ATOM 1266 O ASN A 75 4.627 -9.776 -6.672 1.00 1.00 O ATOM 1267 CB ASN A 75 7.332 -8.662 -5.627 1.00 1.00 C ATOM 1268 CG ASN A 75 7.578 -10.112 -6.010 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.356 -10.517 -7.151 1.00 1.00 O ATOM 1270 ND2 ASN A 75 8.068 -10.898 -5.065 1.00 1.00 N ATOM 0 H ASN A 75 6.202 -9.937 -3.796 1.00 1.00 H new ATOM 0 HA ASN A 75 5.839 -7.344 -4.863 1.00 1.00 H new ATOM 0 HB2 ASN A 75 7.563 -8.024 -6.480 1.00 1.00 H new ATOM 0 HB3 ASN A 75 8.018 -8.384 -4.827 1.00 1.00 H new ATOM 0 HD21 ASN A 75 8.275 -11.875 -5.271 1.00 1.00 H new ATOM 0 HD22 ASN A 75 8.239 -10.527 -4.131 1.00 1.00 H new ATOM 1277 N GLY A 76 4.382 -7.556 -6.856 1.00 1.00 N ATOM 1278 CA GLY A 76 3.476 -7.670 -7.976 1.00 1.00 C ATOM 1279 C GLY A 76 2.027 -7.585 -7.553 1.00 1.00 C ATOM 1280 O GLY A 76 1.133 -7.497 -8.394 1.00 1.00 O ATOM 0 H GLY A 76 4.556 -6.602 -6.539 1.00 1.00 H new ATOM 0 HA2 GLY A 76 3.689 -6.879 -8.695 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.649 -8.618 -8.485 1.00 1.00 H new ATOM 1284 N ASP A 77 1.784 -7.621 -6.250 1.00 1.00 N ATOM 1285 CA ASP A 77 0.429 -7.475 -5.743 1.00 1.00 C ATOM 1286 C ASP A 77 -0.022 -6.033 -5.879 1.00 1.00 C ATOM 1287 O ASP A 77 0.774 -5.106 -5.733 1.00 1.00 O ATOM 1288 CB ASP A 77 0.311 -7.939 -4.288 1.00 1.00 C ATOM 1289 CG ASP A 77 0.147 -9.442 -4.171 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.563 -10.034 -5.015 1.00 1.00 O ATOM 1291 OD2 ASP A 77 0.725 -10.044 -3.240 1.00 1.00 O ATOM 0 H ASP A 77 2.499 -7.748 -5.533 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.222 -8.114 -6.340 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.200 -7.629 -3.738 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.541 -7.446 -3.820 1.00 1.00 H new ATOM 1296 N THR A 78 -1.290 -5.845 -6.185 1.00 1.00 N ATOM 1297 CA THR A 78 -1.821 -4.516 -6.411 1.00 1.00 C ATOM 1298 C THR A 78 -2.680 -4.071 -5.233 1.00 1.00 C ATOM 1299 O THR A 78 -3.583 -4.790 -4.802 1.00 1.00 O ATOM 1300 CB THR A 78 -2.649 -4.476 -7.710 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.876 -5.028 -8.786 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.062 -3.051 -8.058 1.00 1.00 C ATOM 0 H THR A 78 -1.972 -6.597 -6.283 1.00 1.00 H new ATOM 0 HA THR A 78 -0.980 -3.830 -6.509 1.00 1.00 H new ATOM 0 HB THR A 78 -3.553 -5.065 -7.558 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.402 -5.005 -9.612 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.645 -3.056 -8.979 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.665 -2.639 -7.249 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.172 -2.437 -8.195 1.00 1.00 H new ATOM 1310 N MET A 79 -2.377 -2.899 -4.698 1.00 1.00 N ATOM 1311 CA MET A 79 -3.174 -2.327 -3.631 1.00 1.00 C ATOM 1312 C MET A 79 -3.528 -0.893 -3.977 1.00 1.00 C ATOM 1313 O MET A 79 -2.669 -0.099 -4.359 1.00 1.00 O ATOM 1314 CB MET A 79 -2.421 -2.379 -2.304 1.00 1.00 C ATOM 1315 CG MET A 79 -3.286 -2.036 -1.102 1.00 1.00 C ATOM 1316 SD MET A 79 -2.514 -2.492 0.461 1.00 1.00 S ATOM 1317 CE MET A 79 -0.954 -1.635 0.322 1.00 1.00 C ATOM 0 H MET A 79 -1.584 -2.327 -4.987 1.00 1.00 H new ATOM 0 HA MET A 79 -4.088 -2.910 -3.524 1.00 1.00 H new ATOM 0 HB2 MET A 79 -2.006 -3.378 -2.170 1.00 1.00 H new ATOM 0 HB3 MET A 79 -1.580 -1.687 -2.345 1.00 1.00 H new ATOM 0 HG2 MET A 79 -3.493 -0.966 -1.102 1.00 1.00 H new ATOM 0 HG3 MET A 79 -4.245 -2.546 -1.192 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.450 -1.638 1.288 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.328 -2.137 -0.416 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.131 -0.606 0.008 1.00 1.00 H new ATOM 1327 N GLU A 80 -4.792 -0.566 -3.843 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.272 0.746 -4.204 1.00 1.00 C ATOM 1329 C GLU A 80 -5.286 1.678 -3.007 1.00 1.00 C ATOM 1330 O GLU A 80 -6.115 1.535 -2.110 1.00 1.00 O ATOM 1331 CB GLU A 80 -6.676 0.651 -4.797 1.00 1.00 C ATOM 1332 CG GLU A 80 -6.715 -0.012 -6.160 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.120 -0.198 -6.679 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -8.744 0.805 -7.089 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -8.600 -1.353 -6.696 1.00 1.00 O ATOM 0 H GLU A 80 -5.510 -1.195 -3.484 1.00 1.00 H new ATOM 0 HA GLU A 80 -4.590 1.155 -4.949 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.314 0.092 -4.112 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.096 1.654 -4.878 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.147 0.591 -6.869 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.223 -0.983 -6.101 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.345 2.608 -2.973 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.460 3.724 -2.050 1.00 1.00 C ATOM 1344 C TYR A 81 -5.479 4.698 -2.620 1.00 1.00 C ATOM 1345 O TYR A 81 -5.203 5.416 -3.579 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.118 4.427 -1.798 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.251 5.659 -0.923 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.332 5.553 0.461 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -3.312 6.928 -1.485 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.466 6.678 1.256 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -3.449 8.053 -0.697 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.524 7.924 0.672 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.659 9.046 1.460 1.00 1.00 O ATOM 0 H TYR A 81 -3.511 2.614 -3.560 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.784 3.346 -1.080 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.429 3.726 -1.327 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -2.678 4.712 -2.754 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -3.290 4.578 0.923 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -3.251 7.036 -2.558 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.525 6.579 2.330 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -3.497 9.031 -1.153 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.683 9.844 0.892 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.663 4.692 -2.045 1.00 1.00 N ATOM 1364 CA ARG A 82 -7.780 5.434 -2.598 1.00 1.00 C ATOM 1365 C ARG A 82 -8.633 5.999 -1.478 1.00 1.00 C ATOM 1366 O ARG A 82 -8.435 5.662 -0.311 1.00 1.00 O ATOM 1367 CB ARG A 82 -8.619 4.504 -3.478 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.373 3.449 -2.684 1.00 1.00 C ATOM 1369 CD ARG A 82 -9.756 2.251 -3.536 1.00 1.00 C ATOM 1370 NE ARG A 82 -10.384 2.639 -4.794 1.00 1.00 N ATOM 1371 CZ ARG A 82 -11.419 2.003 -5.335 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -12.000 0.996 -4.695 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -11.882 2.387 -6.514 1.00 1.00 N ATOM 0 H ARG A 82 -6.879 4.179 -1.190 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.403 6.260 -3.201 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -9.332 5.099 -4.048 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -7.967 4.010 -4.199 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.756 3.116 -1.849 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -10.273 3.892 -2.258 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -8.865 1.659 -3.746 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.438 1.613 -2.974 1.00 1.00 H new ATOM 0 HE ARG A 82 -10.006 3.447 -5.289 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.653 0.705 -3.781 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.793 0.513 -5.117 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -11.445 3.168 -7.004 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -12.676 1.902 -6.933 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.579 6.849 -1.829 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.494 7.398 -0.849 1.00 1.00 C ATOM 1389 C LYS A 83 -11.568 6.370 -0.535 1.00 1.00 C ATOM 1390 O LYS A 83 -12.231 5.857 -1.438 1.00 1.00 O ATOM 1391 CB LYS A 83 -11.115 8.694 -1.363 1.00 1.00 C ATOM 1392 CG LYS A 83 -12.064 9.352 -0.375 1.00 1.00 C ATOM 1393 CD LYS A 83 -12.530 10.702 -0.885 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.199 10.582 -2.243 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.466 11.915 -2.840 1.00 1.00 N ATOM 0 H LYS A 83 -9.733 7.173 -2.784 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.948 7.632 0.065 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -10.318 9.395 -1.609 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.654 8.486 -2.287 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.925 8.706 -0.207 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -11.566 9.475 0.587 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.228 11.141 -0.172 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.679 11.379 -0.956 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.563 10.003 -2.913 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -14.136 10.034 -2.141 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -13.923 11.795 -3.766 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.093 12.457 -2.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.569 12.427 -2.960 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.726 6.067 0.740 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.611 4.990 1.162 1.00 1.00 C ATOM 1411 C LYS A 84 -14.054 5.460 1.273 1.00 1.00 C ATOM 1412 O LYS A 84 -14.324 6.603 1.650 1.00 1.00 O ATOM 1413 CB LYS A 84 -12.141 4.401 2.495 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.947 5.433 3.595 1.00 1.00 C ATOM 1415 CD LYS A 84 -11.562 4.780 4.915 1.00 1.00 C ATOM 1416 CE LYS A 84 -10.272 3.981 4.799 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.875 3.378 6.098 1.00 1.00 N ATOM 0 H LYS A 84 -11.254 6.550 1.504 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.572 4.214 0.398 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.868 3.661 2.830 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -11.200 3.874 2.336 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -11.172 6.140 3.299 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.866 6.004 3.725 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -11.445 5.548 5.679 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -12.367 4.123 5.243 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -10.399 3.193 4.057 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -9.473 4.631 4.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.992 2.842 5.977 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.729 4.131 6.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.626 2.738 6.427 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.972 4.572 0.924 1.00 1.00 N ATOM 1432 CA GLN A 85 -16.395 4.827 1.062 1.00 1.00 C ATOM 1433 C GLN A 85 -17.144 3.508 1.239 1.00 1.00 C ATOM 1434 O GLN A 85 -17.577 2.913 0.236 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.929 5.625 -0.137 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.553 5.050 -1.495 1.00 1.00 C ATOM 1437 CD GLN A 85 -16.994 5.940 -2.639 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.050 7.165 -2.503 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -17.323 5.337 -3.769 1.00 1.00 N ATOM 1440 OXT GLN A 85 -17.262 3.054 2.396 1.00 1.00 O ATOM 0 H GLN A 85 -14.750 3.655 0.537 1.00 1.00 H new ATOM 0 HA GLN A 85 -16.561 5.435 1.951 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -18.015 5.678 -0.067 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.555 6.647 -0.073 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -15.473 4.911 -1.542 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -17.006 4.065 -1.608 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -17.263 4.321 -3.841 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -17.637 5.888 -4.568 1.00 1.00 H new TER 1449 GLN A 85