USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 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 2 SER OG : rot 130:sc= 1.08 USER MOD Set 1.2: A 16 THR OG1 : rot -165:sc= 1.34! USER MOD Single : A 1 CYS N :NH3+ -140:sc= -2.79! (180deg=-4.41!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.05 (180deg=-0.425) USER MOD Single : A 4 ASN : amide:sc= -0.393 K(o=-0.39,f=-1.4) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= -0.842 (180deg=-0.97) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0474 USER MOD Single : A 20 SER OG : rot -56:sc= 0.113 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 26 ASN : amide:sc= -4.05! C(o=-4!,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= -0.0789 (180deg=-0.636) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.075 USER MOD Single : A 53 ASN : amide:sc= -3.17! C(o=-3.2!,f=-11!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 44.612 -15.808 -9.981 1.00 1.00 N ATOM 2 CA CYS A 1 43.799 -16.244 -11.151 1.00 1.00 C ATOM 3 C CYS A 1 43.209 -17.621 -10.873 1.00 1.00 C ATOM 4 O CYS A 1 42.011 -17.754 -10.624 1.00 1.00 O ATOM 5 CB CYS A 1 44.687 -16.296 -12.395 1.00 1.00 C ATOM 6 SG CYS A 1 45.016 -14.612 -12.971 1.00 1.00 S ATOM 0 H1 CYS A 1 44.455 -14.795 -9.808 1.00 1.00 H new ATOM 0 H2 CYS A 1 44.329 -16.351 -9.140 1.00 1.00 H new ATOM 0 H3 CYS A 1 45.620 -15.974 -10.177 1.00 1.00 H new ATOM 0 HA CYS A 1 42.988 -15.536 -11.320 1.00 1.00 H new ATOM 0 HB2 CYS A 1 45.624 -16.803 -12.165 1.00 1.00 H new ATOM 0 HB3 CYS A 1 44.198 -16.872 -13.181 1.00 1.00 H new ATOM 0 HG CYS A 1 45.773 -14.655 -14.027 1.00 1.00 H new ATOM 14 N SER A 2 44.056 -18.645 -10.920 1.00 1.00 N ATOM 15 CA SER A 2 43.605 -20.011 -10.675 1.00 1.00 C ATOM 16 C SER A 2 43.522 -20.290 -9.177 1.00 1.00 C ATOM 17 O SER A 2 44.520 -20.622 -8.539 1.00 1.00 O ATOM 18 CB SER A 2 44.569 -21.000 -11.338 1.00 1.00 C ATOM 19 OG SER A 2 45.015 -20.455 -12.574 1.00 1.00 O ATOM 0 H SER A 2 45.051 -18.556 -11.124 1.00 1.00 H new ATOM 0 HA SER A 2 42.610 -20.132 -11.104 1.00 1.00 H new ATOM 0 HB2 SER A 2 45.419 -21.193 -10.683 1.00 1.00 H new ATOM 0 HB3 SER A 2 44.072 -21.955 -11.506 1.00 1.00 H new ATOM 0 HG SER A 2 45.993 -20.505 -12.620 1.00 1.00 H new ATOM 25 N LYS A 3 42.324 -20.162 -8.625 1.00 1.00 N ATOM 26 CA LYS A 3 42.125 -20.409 -7.198 1.00 1.00 C ATOM 27 C LYS A 3 43.221 -19.739 -6.372 1.00 1.00 C ATOM 28 O LYS A 3 44.098 -20.408 -5.827 1.00 1.00 O ATOM 29 CB LYS A 3 42.132 -21.912 -6.926 1.00 1.00 C ATOM 30 CG LYS A 3 40.882 -22.547 -7.537 1.00 1.00 C ATOM 31 CD LYS A 3 40.897 -24.055 -7.283 1.00 1.00 C ATOM 32 CE LYS A 3 39.599 -24.672 -7.805 1.00 1.00 C ATOM 33 NZ LYS A 3 39.512 -24.470 -9.279 1.00 1.00 N ATOM 0 H LYS A 3 41.482 -19.892 -9.133 1.00 1.00 H new ATOM 0 HA LYS A 3 41.162 -19.987 -6.909 1.00 1.00 H new ATOM 0 HB2 LYS A 3 43.028 -22.365 -7.351 1.00 1.00 H new ATOM 0 HB3 LYS A 3 42.159 -22.098 -5.852 1.00 1.00 H new ATOM 0 HG2 LYS A 3 39.987 -22.103 -7.102 1.00 1.00 H new ATOM 0 HG3 LYS A 3 40.847 -22.349 -8.608 1.00 1.00 H new ATOM 0 HD2 LYS A 3 41.754 -24.510 -7.780 1.00 1.00 H new ATOM 0 HD3 LYS A 3 41.004 -24.254 -6.217 1.00 1.00 H new ATOM 0 HE2 LYS A 3 39.569 -25.736 -7.570 1.00 1.00 H new ATOM 0 HE3 LYS A 3 38.742 -24.213 -7.313 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 38.803 -25.118 -9.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 39.235 -23.488 -9.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 40.438 -24.663 -9.711 1.00 1.00 H new ATOM 47 N ASN A 4 43.150 -18.416 -6.279 1.00 1.00 N ATOM 48 CA ASN A 4 44.134 -17.649 -5.503 1.00 1.00 C ATOM 49 C ASN A 4 45.550 -17.835 -6.047 1.00 1.00 C ATOM 50 O ASN A 4 46.494 -18.027 -5.280 1.00 1.00 O ATOM 51 CB ASN A 4 44.093 -18.090 -4.037 1.00 1.00 C ATOM 52 CG ASN A 4 44.865 -17.097 -3.174 1.00 1.00 C ATOM 53 OD1 ASN A 4 44.809 -15.892 -3.416 1.00 1.00 O ATOM 54 ND2 ASN A 4 45.588 -17.533 -2.179 1.00 1.00 N ATOM 0 H ASN A 4 42.429 -17.850 -6.726 1.00 1.00 H new ATOM 0 HA ASN A 4 43.873 -16.594 -5.586 1.00 1.00 H new ATOM 0 HB2 ASN A 4 43.060 -18.154 -3.696 1.00 1.00 H new ATOM 0 HB3 ASN A 4 44.525 -19.086 -3.936 1.00 1.00 H new ATOM 0 HD21 ASN A 4 46.108 -16.874 -1.600 1.00 1.00 H new ATOM 0 HD22 ASN A 4 45.633 -18.533 -1.981 1.00 1.00 H new ATOM 61 N ARG A 5 45.698 -17.772 -7.370 1.00 1.00 N ATOM 62 CA ARG A 5 47.016 -17.926 -7.995 1.00 1.00 C ATOM 63 C ARG A 5 47.730 -16.579 -8.087 1.00 1.00 C ATOM 64 O ARG A 5 48.951 -16.503 -7.945 1.00 1.00 O ATOM 65 CB ARG A 5 46.864 -18.533 -9.395 1.00 1.00 C ATOM 66 CG ARG A 5 48.230 -18.659 -10.089 1.00 1.00 C ATOM 67 CD ARG A 5 49.194 -19.490 -9.232 1.00 1.00 C ATOM 68 NE ARG A 5 50.254 -20.051 -10.062 1.00 1.00 N ATOM 69 CZ ARG A 5 50.991 -21.072 -9.632 1.00 1.00 C ATOM 70 NH1 ARG A 5 50.767 -21.587 -8.455 1.00 1.00 N ATOM 71 NH2 ARG A 5 51.936 -21.560 -10.387 1.00 1.00 N ATOM 0 H ARG A 5 44.932 -17.617 -8.026 1.00 1.00 H new ATOM 0 HA ARG A 5 47.615 -18.594 -7.377 1.00 1.00 H new ATOM 0 HB2 ARG A 5 46.397 -19.515 -9.321 1.00 1.00 H new ATOM 0 HB3 ARG A 5 46.202 -17.910 -9.996 1.00 1.00 H new ATOM 0 HG2 ARG A 5 48.106 -19.127 -11.066 1.00 1.00 H new ATOM 0 HG3 ARG A 5 48.650 -17.668 -10.261 1.00 1.00 H new ATOM 0 HD2 ARG A 5 49.627 -18.866 -8.450 1.00 1.00 H new ATOM 0 HD3 ARG A 5 48.649 -20.292 -8.734 1.00 1.00 H new ATOM 0 HE ARG A 5 50.433 -19.655 -10.985 1.00 1.00 H new ATOM 0 HH11 ARG A 5 50.027 -21.207 -7.865 1.00 1.00 H new ATOM 0 HH12 ARG A 5 51.332 -22.370 -8.125 1.00 1.00 H new ATOM 0 HH21 ARG A 5 52.111 -21.159 -11.308 1.00 1.00 H new ATOM 0 HH22 ARG A 5 52.500 -22.343 -10.056 1.00 1.00 H new ATOM 85 N LYS A 6 46.961 -15.522 -8.337 1.00 1.00 N ATOM 86 CA LYS A 6 47.537 -14.178 -8.457 1.00 1.00 C ATOM 87 C LYS A 6 48.405 -13.843 -7.244 1.00 1.00 C ATOM 88 O LYS A 6 49.348 -13.057 -7.349 1.00 1.00 O ATOM 89 CB LYS A 6 46.430 -13.123 -8.595 1.00 1.00 C ATOM 90 CG LYS A 6 45.403 -13.314 -7.476 1.00 1.00 C ATOM 91 CD LYS A 6 44.393 -12.162 -7.489 1.00 1.00 C ATOM 92 CE LYS A 6 43.560 -12.203 -8.774 1.00 1.00 C ATOM 93 NZ LYS A 6 42.313 -11.411 -8.580 1.00 1.00 N ATOM 0 H LYS A 6 45.949 -15.564 -8.460 1.00 1.00 H new ATOM 0 HA LYS A 6 48.159 -14.167 -9.352 1.00 1.00 H new ATOM 0 HB2 LYS A 6 46.858 -12.122 -8.544 1.00 1.00 H new ATOM 0 HB3 LYS A 6 45.946 -13.213 -9.567 1.00 1.00 H new ATOM 0 HG2 LYS A 6 44.885 -14.264 -7.605 1.00 1.00 H new ATOM 0 HG3 LYS A 6 45.908 -13.355 -6.511 1.00 1.00 H new ATOM 0 HD2 LYS A 6 43.738 -12.233 -6.620 1.00 1.00 H new ATOM 0 HD3 LYS A 6 44.917 -11.209 -7.417 1.00 1.00 H new ATOM 0 HE2 LYS A 6 44.135 -11.798 -9.607 1.00 1.00 H new ATOM 0 HE3 LYS A 6 43.314 -13.234 -9.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 41.746 -11.437 -9.451 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 41.763 -11.816 -7.796 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 42.559 -10.425 -8.357 1.00 1.00 H new ATOM 107 N ALA A 7 48.087 -14.441 -6.094 1.00 1.00 N ATOM 108 CA ALA A 7 48.852 -14.200 -4.861 1.00 1.00 C ATOM 109 C ALA A 7 49.382 -15.512 -4.289 1.00 1.00 C ATOM 110 O ALA A 7 49.007 -15.914 -3.190 1.00 1.00 O ATOM 111 CB ALA A 7 47.969 -13.509 -3.813 1.00 1.00 C ATOM 0 H ALA A 7 47.310 -15.093 -5.987 1.00 1.00 H new ATOM 0 HA ALA A 7 49.695 -13.554 -5.108 1.00 1.00 H new ATOM 0 HB1 ALA A 7 48.548 -13.337 -2.906 1.00 1.00 H new ATOM 0 HB2 ALA A 7 47.617 -12.555 -4.206 1.00 1.00 H new ATOM 0 HB3 ALA A 7 47.114 -14.144 -3.582 1.00 1.00 H new ATOM 117 N LYS A 8 50.261 -16.176 -5.037 1.00 1.00 N ATOM 118 CA LYS A 8 50.834 -17.435 -4.579 1.00 1.00 C ATOM 119 C LYS A 8 52.071 -17.785 -5.404 1.00 1.00 C ATOM 120 O LYS A 8 52.836 -18.678 -5.046 1.00 1.00 O ATOM 121 CB LYS A 8 49.790 -18.554 -4.689 1.00 1.00 C ATOM 122 CG LYS A 8 50.302 -19.814 -3.987 1.00 1.00 C ATOM 123 CD LYS A 8 49.207 -20.879 -3.986 1.00 1.00 C ATOM 124 CE LYS A 8 49.716 -22.129 -3.266 1.00 1.00 C ATOM 125 NZ LYS A 8 48.638 -23.156 -3.227 1.00 1.00 N ATOM 0 H LYS A 8 50.588 -15.866 -5.952 1.00 1.00 H new ATOM 0 HA LYS A 8 51.131 -17.329 -3.536 1.00 1.00 H new ATOM 0 HB2 LYS A 8 48.851 -18.233 -4.239 1.00 1.00 H new ATOM 0 HB3 LYS A 8 49.584 -18.769 -5.737 1.00 1.00 H new ATOM 0 HG2 LYS A 8 51.190 -20.191 -4.495 1.00 1.00 H new ATOM 0 HG3 LYS A 8 50.596 -19.579 -2.964 1.00 1.00 H new ATOM 0 HD2 LYS A 8 48.314 -20.498 -3.490 1.00 1.00 H new ATOM 0 HD3 LYS A 8 48.923 -21.125 -5.009 1.00 1.00 H new ATOM 0 HE2 LYS A 8 50.592 -22.526 -3.780 1.00 1.00 H new ATOM 0 HE3 LYS A 8 50.028 -21.876 -2.253 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 48.985 -24.005 -2.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 47.814 -22.776 -2.719 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 48.361 -23.405 -4.198 1.00 1.00 H new ATOM 139 N ALA A 9 52.267 -17.066 -6.510 1.00 1.00 N ATOM 140 CA ALA A 9 53.418 -17.312 -7.377 1.00 1.00 C ATOM 141 C ALA A 9 53.295 -16.492 -8.661 1.00 1.00 C ATOM 142 O ALA A 9 54.277 -16.276 -9.367 1.00 1.00 O ATOM 143 CB ALA A 9 53.515 -18.811 -7.716 1.00 1.00 C ATOM 0 H ALA A 9 51.650 -16.316 -6.824 1.00 1.00 H new ATOM 0 HA ALA A 9 54.324 -17.010 -6.851 1.00 1.00 H new ATOM 0 HB1 ALA A 9 54.376 -18.983 -8.362 1.00 1.00 H new ATOM 0 HB2 ALA A 9 53.631 -19.385 -6.797 1.00 1.00 H new ATOM 0 HB3 ALA A 9 52.607 -19.127 -8.229 1.00 1.00 H new ATOM 149 N LYS A 10 52.079 -16.037 -8.950 1.00 1.00 N ATOM 150 CA LYS A 10 51.829 -15.234 -10.154 1.00 1.00 C ATOM 151 C LYS A 10 52.016 -16.092 -11.412 1.00 1.00 C ATOM 152 O LYS A 10 52.753 -17.078 -11.393 1.00 1.00 O ATOM 153 CB LYS A 10 52.782 -13.995 -10.174 1.00 1.00 C ATOM 154 CG LYS A 10 53.789 -14.054 -11.344 1.00 1.00 C ATOM 155 CD LYS A 10 54.778 -12.896 -11.238 1.00 1.00 C ATOM 156 CE LYS A 10 55.896 -13.098 -12.265 1.00 1.00 C ATOM 157 NZ LYS A 10 55.339 -13.009 -13.649 1.00 1.00 N ATOM 0 H LYS A 10 51.254 -16.206 -8.375 1.00 1.00 H new ATOM 0 HA LYS A 10 50.800 -14.876 -10.139 1.00 1.00 H new ATOM 0 HB2 LYS A 10 52.189 -13.084 -10.252 1.00 1.00 H new ATOM 0 HB3 LYS A 10 53.326 -13.941 -9.231 1.00 1.00 H new ATOM 0 HG2 LYS A 10 54.324 -15.003 -11.327 1.00 1.00 H new ATOM 0 HG3 LYS A 10 53.258 -14.004 -12.295 1.00 1.00 H new ATOM 0 HD2 LYS A 10 54.269 -11.949 -11.417 1.00 1.00 H new ATOM 0 HD3 LYS A 10 55.195 -12.848 -10.232 1.00 1.00 H new ATOM 0 HE2 LYS A 10 56.670 -12.343 -12.126 1.00 1.00 H new ATOM 0 HE3 LYS A 10 56.368 -14.069 -12.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 56.115 -13.062 -14.340 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 54.679 -13.796 -13.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 54.835 -12.106 -13.763 1.00 1.00 H new ATOM 171 N PRO A 11 51.403 -15.712 -12.505 1.00 1.00 N ATOM 172 CA PRO A 11 51.544 -16.444 -13.798 1.00 1.00 C ATOM 173 C PRO A 11 52.965 -16.339 -14.341 1.00 1.00 C ATOM 174 O PRO A 11 53.619 -15.310 -14.197 1.00 1.00 O ATOM 175 CB PRO A 11 50.525 -15.754 -14.723 1.00 1.00 C ATOM 176 CG PRO A 11 50.362 -14.384 -14.150 1.00 1.00 C ATOM 177 CD PRO A 11 50.508 -14.546 -12.638 1.00 1.00 C ATOM 0 HA PRO A 11 51.358 -17.514 -13.702 1.00 1.00 H new ATOM 0 HB2 PRO A 11 50.887 -15.713 -15.750 1.00 1.00 H new ATOM 0 HB3 PRO A 11 49.577 -16.292 -14.740 1.00 1.00 H new ATOM 0 HG2 PRO A 11 51.116 -13.703 -14.545 1.00 1.00 H new ATOM 0 HG3 PRO A 11 49.389 -13.966 -14.406 1.00 1.00 H new ATOM 0 HD2 PRO A 11 50.937 -13.656 -12.178 1.00 1.00 H new ATOM 0 HD3 PRO A 11 49.545 -14.721 -12.158 1.00 1.00 H new ATOM 185 N VAL A 12 53.419 -17.423 -14.964 1.00 1.00 N ATOM 186 CA VAL A 12 54.764 -17.497 -15.543 1.00 1.00 C ATOM 187 C VAL A 12 55.099 -18.953 -15.883 1.00 1.00 C ATOM 188 O VAL A 12 55.443 -19.276 -17.021 1.00 1.00 O ATOM 189 CB VAL A 12 55.825 -16.862 -14.568 1.00 1.00 C ATOM 190 CG1 VAL A 12 57.061 -17.762 -14.384 1.00 1.00 C ATOM 191 CG2 VAL A 12 56.300 -15.493 -15.105 1.00 1.00 C ATOM 0 H VAL A 12 52.870 -18.274 -15.083 1.00 1.00 H new ATOM 0 HA VAL A 12 54.793 -16.918 -16.466 1.00 1.00 H new ATOM 0 HB VAL A 12 55.329 -16.746 -13.604 1.00 1.00 H new ATOM 0 HG11 VAL A 12 57.763 -17.281 -13.703 1.00 1.00 H new ATOM 0 HG12 VAL A 12 56.754 -18.722 -13.969 1.00 1.00 H new ATOM 0 HG13 VAL A 12 57.542 -17.921 -15.349 1.00 1.00 H new ATOM 0 HG21 VAL A 12 57.033 -15.068 -14.419 1.00 1.00 H new ATOM 0 HG22 VAL A 12 56.755 -15.625 -16.087 1.00 1.00 H new ATOM 0 HG23 VAL A 12 55.447 -14.819 -15.188 1.00 1.00 H new ATOM 201 N THR A 13 55.011 -19.813 -14.882 1.00 1.00 N ATOM 202 CA THR A 13 55.317 -21.238 -15.051 1.00 1.00 C ATOM 203 C THR A 13 54.043 -22.053 -15.288 1.00 1.00 C ATOM 204 O THR A 13 54.033 -22.958 -16.125 1.00 1.00 O ATOM 205 CB THR A 13 56.048 -21.762 -13.795 1.00 1.00 C ATOM 206 OG1 THR A 13 55.553 -21.079 -12.652 1.00 1.00 O ATOM 207 CG2 THR A 13 57.569 -21.536 -13.908 1.00 1.00 C ATOM 0 H THR A 13 54.729 -19.555 -13.936 1.00 1.00 H new ATOM 0 HA THR A 13 55.958 -21.351 -15.925 1.00 1.00 H new ATOM 0 HB THR A 13 55.865 -22.833 -13.704 1.00 1.00 H new ATOM 0 HG1 THR A 13 56.011 -21.408 -11.851 1.00 1.00 H new ATOM 0 HG21 THR A 13 58.061 -21.913 -13.011 1.00 1.00 H new ATOM 0 HG22 THR A 13 57.951 -22.064 -14.781 1.00 1.00 H new ATOM 0 HG23 THR A 13 57.772 -20.470 -14.011 1.00 1.00 H new ATOM 215 N ARG A 14 52.972 -21.746 -14.544 1.00 1.00 N ATOM 216 CA ARG A 14 51.704 -22.482 -14.688 1.00 1.00 C ATOM 217 C ARG A 14 50.606 -21.553 -15.199 1.00 1.00 C ATOM 218 O ARG A 14 49.452 -21.657 -14.787 1.00 1.00 O ATOM 219 CB ARG A 14 51.293 -23.096 -13.332 1.00 1.00 C ATOM 220 CG ARG A 14 50.367 -24.315 -13.534 1.00 1.00 C ATOM 221 CD ARG A 14 51.109 -25.470 -14.233 1.00 1.00 C ATOM 222 NE ARG A 14 50.628 -26.758 -13.728 1.00 1.00 N ATOM 223 CZ ARG A 14 51.382 -27.853 -13.800 1.00 1.00 C ATOM 224 NH1 ARG A 14 52.568 -27.798 -14.342 1.00 1.00 N ATOM 225 NH2 ARG A 14 50.935 -28.984 -13.328 1.00 1.00 N ATOM 0 H ARG A 14 52.955 -21.004 -13.845 1.00 1.00 H new ATOM 0 HA ARG A 14 51.845 -23.285 -15.412 1.00 1.00 H new ATOM 0 HB2 ARG A 14 52.183 -23.399 -12.781 1.00 1.00 H new ATOM 0 HB3 ARG A 14 50.784 -22.345 -12.728 1.00 1.00 H new ATOM 0 HG2 ARG A 14 49.991 -24.653 -12.568 1.00 1.00 H new ATOM 0 HG3 ARG A 14 49.502 -24.023 -14.129 1.00 1.00 H new ATOM 0 HD2 ARG A 14 50.954 -25.413 -15.310 1.00 1.00 H new ATOM 0 HD3 ARG A 14 52.181 -25.381 -14.060 1.00 1.00 H new ATOM 0 HE ARG A 14 49.698 -26.817 -13.313 1.00 1.00 H new ATOM 0 HH11 ARG A 14 52.919 -26.915 -14.712 1.00 1.00 H new ATOM 0 HH12 ARG A 14 53.144 -28.638 -14.396 1.00 1.00 H new ATOM 0 HH21 ARG A 14 50.008 -29.029 -12.904 1.00 1.00 H new ATOM 0 HH22 ARG A 14 51.512 -29.823 -13.383 1.00 1.00 H new ATOM 239 N GLY A 15 50.973 -20.651 -16.106 1.00 1.00 N ATOM 240 CA GLY A 15 50.001 -19.717 -16.672 1.00 1.00 C ATOM 241 C GLY A 15 48.822 -20.479 -17.258 1.00 1.00 C ATOM 242 O GLY A 15 48.806 -20.811 -18.443 1.00 1.00 O ATOM 0 H GLY A 15 51.923 -20.546 -16.462 1.00 1.00 H new ATOM 0 HA2 GLY A 15 49.653 -19.031 -15.900 1.00 1.00 H new ATOM 0 HA3 GLY A 15 50.474 -19.113 -17.446 1.00 1.00 H new ATOM 246 N THR A 16 47.843 -20.759 -16.412 1.00 1.00 N ATOM 247 CA THR A 16 46.658 -21.491 -16.842 1.00 1.00 C ATOM 248 C THR A 16 45.877 -20.688 -17.879 1.00 1.00 C ATOM 249 O THR A 16 46.359 -20.451 -18.987 1.00 1.00 O ATOM 250 CB THR A 16 45.762 -21.786 -15.633 1.00 1.00 C ATOM 251 OG1 THR A 16 45.220 -20.567 -15.140 1.00 1.00 O ATOM 252 CG2 THR A 16 46.586 -22.462 -14.533 1.00 1.00 C ATOM 0 H THR A 16 47.843 -20.493 -15.427 1.00 1.00 H new ATOM 0 HA THR A 16 46.976 -22.430 -17.296 1.00 1.00 H new ATOM 0 HB THR A 16 44.952 -22.450 -15.935 1.00 1.00 H new ATOM 0 HG1 THR A 16 44.849 -20.712 -14.245 1.00 1.00 H new ATOM 0 HG21 THR A 16 45.946 -22.670 -13.675 1.00 1.00 H new ATOM 0 HG22 THR A 16 47.001 -23.396 -14.911 1.00 1.00 H new ATOM 0 HG23 THR A 16 47.398 -21.801 -14.228 1.00 1.00 H new ATOM 260 N GLY A 17 44.673 -20.272 -17.510 1.00 1.00 N ATOM 261 CA GLY A 17 43.828 -19.496 -18.408 1.00 1.00 C ATOM 262 C GLY A 17 42.760 -18.752 -17.617 1.00 1.00 C ATOM 263 O GLY A 17 43.057 -17.776 -16.928 1.00 1.00 O ATOM 0 H GLY A 17 44.260 -20.458 -16.596 1.00 1.00 H new ATOM 0 HA2 GLY A 17 44.436 -18.786 -18.968 1.00 1.00 H new ATOM 0 HA3 GLY A 17 43.357 -20.156 -19.136 1.00 1.00 H new ATOM 267 N ALA A 18 41.516 -19.217 -17.712 1.00 1.00 N ATOM 268 CA ALA A 18 40.423 -18.578 -16.987 1.00 1.00 C ATOM 269 C ALA A 18 39.281 -19.564 -16.756 1.00 1.00 C ATOM 270 O ALA A 18 38.144 -19.313 -17.153 1.00 1.00 O ATOM 271 CB ALA A 18 39.913 -17.375 -17.782 1.00 1.00 C ATOM 0 H ALA A 18 41.243 -20.022 -18.276 1.00 1.00 H new ATOM 0 HA ALA A 18 40.795 -18.245 -16.018 1.00 1.00 H new ATOM 0 HB1 ALA A 18 39.097 -16.899 -17.239 1.00 1.00 H new ATOM 0 HB2 ALA A 18 40.724 -16.659 -17.919 1.00 1.00 H new ATOM 0 HB3 ALA A 18 39.555 -17.708 -18.756 1.00 1.00 H new ATOM 277 N GLY A 19 39.594 -20.689 -16.112 1.00 1.00 N ATOM 278 CA GLY A 19 38.586 -21.724 -15.828 1.00 1.00 C ATOM 279 C GLY A 19 38.199 -21.727 -14.350 1.00 1.00 C ATOM 280 O GLY A 19 37.809 -22.758 -13.803 1.00 1.00 O ATOM 0 H GLY A 19 40.531 -20.911 -15.777 1.00 1.00 H new ATOM 0 HA2 GLY A 19 37.700 -21.550 -16.438 1.00 1.00 H new ATOM 0 HA3 GLY A 19 38.977 -22.703 -16.106 1.00 1.00 H new ATOM 284 N SER A 20 38.311 -20.564 -13.705 1.00 1.00 N ATOM 285 CA SER A 20 37.972 -20.429 -12.283 1.00 1.00 C ATOM 286 C SER A 20 37.031 -19.243 -12.059 1.00 1.00 C ATOM 287 O SER A 20 37.067 -18.598 -11.012 1.00 1.00 O ATOM 288 CB SER A 20 39.251 -20.222 -11.473 1.00 1.00 C ATOM 289 OG SER A 20 39.003 -20.540 -10.110 1.00 1.00 O ATOM 0 H SER A 20 38.634 -19.701 -14.143 1.00 1.00 H new ATOM 0 HA SER A 20 37.468 -21.339 -11.958 1.00 1.00 H new ATOM 0 HB2 SER A 20 40.049 -20.852 -11.866 1.00 1.00 H new ATOM 0 HB3 SER A 20 39.588 -19.189 -11.562 1.00 1.00 H new ATOM 0 HG SER A 20 38.253 -20.002 -9.780 1.00 1.00 H new ATOM 295 N ARG A 21 36.199 -18.960 -13.056 1.00 1.00 N ATOM 296 CA ARG A 21 35.258 -17.844 -12.969 1.00 1.00 C ATOM 297 C ARG A 21 34.246 -18.069 -11.833 1.00 1.00 C ATOM 298 O ARG A 21 33.895 -19.212 -11.538 1.00 1.00 O ATOM 299 CB ARG A 21 34.521 -17.669 -14.309 1.00 1.00 C ATOM 300 CG ARG A 21 33.659 -18.907 -14.639 1.00 1.00 C ATOM 301 CD ARG A 21 34.545 -20.124 -14.975 1.00 1.00 C ATOM 302 NE ARG A 21 34.858 -20.876 -13.761 1.00 1.00 N ATOM 303 CZ ARG A 21 35.242 -22.150 -13.813 1.00 1.00 C ATOM 304 NH1 ARG A 21 35.334 -22.764 -14.962 1.00 1.00 N ATOM 305 NH2 ARG A 21 35.525 -22.791 -12.712 1.00 1.00 N ATOM 0 H ARG A 21 36.155 -19.484 -13.930 1.00 1.00 H new ATOM 0 HA ARG A 21 35.821 -16.936 -12.751 1.00 1.00 H new ATOM 0 HB2 ARG A 21 33.888 -16.783 -14.266 1.00 1.00 H new ATOM 0 HB3 ARG A 21 35.245 -17.504 -15.107 1.00 1.00 H new ATOM 0 HG2 ARG A 21 33.016 -19.144 -13.791 1.00 1.00 H new ATOM 0 HG3 ARG A 21 33.005 -18.685 -15.482 1.00 1.00 H new ATOM 0 HD2 ARG A 21 34.032 -20.769 -15.688 1.00 1.00 H new ATOM 0 HD3 ARG A 21 35.467 -19.791 -15.452 1.00 1.00 H new ATOM 0 HE ARG A 21 34.781 -20.415 -12.855 1.00 1.00 H new ATOM 0 HH11 ARG A 21 35.111 -22.268 -15.825 1.00 1.00 H new ATOM 0 HH12 ARG A 21 35.629 -23.740 -14.997 1.00 1.00 H new ATOM 0 HH21 ARG A 21 35.452 -22.316 -11.812 1.00 1.00 H new ATOM 0 HH22 ARG A 21 35.819 -23.767 -12.751 1.00 1.00 H new ATOM 319 N PRO A 22 33.753 -17.024 -11.196 1.00 1.00 N ATOM 320 CA PRO A 22 32.762 -17.179 -10.092 1.00 1.00 C ATOM 321 C PRO A 22 31.653 -18.168 -10.442 1.00 1.00 C ATOM 322 O PRO A 22 31.309 -19.041 -9.651 1.00 1.00 O ATOM 323 CB PRO A 22 32.187 -15.762 -9.918 1.00 1.00 C ATOM 324 CG PRO A 22 33.271 -14.838 -10.381 1.00 1.00 C ATOM 325 CD PRO A 22 34.085 -15.602 -11.437 1.00 1.00 C ATOM 0 HA PRO A 22 33.222 -17.577 -9.188 1.00 1.00 H new ATOM 0 HB2 PRO A 22 31.279 -15.630 -10.507 1.00 1.00 H new ATOM 0 HB3 PRO A 22 31.923 -15.569 -8.878 1.00 1.00 H new ATOM 0 HG2 PRO A 22 32.848 -13.927 -10.804 1.00 1.00 H new ATOM 0 HG3 PRO A 22 33.905 -14.538 -9.547 1.00 1.00 H new ATOM 0 HD2 PRO A 22 33.813 -15.296 -12.447 1.00 1.00 H new ATOM 0 HD3 PRO A 22 35.154 -15.418 -11.325 1.00 1.00 H new ATOM 333 N ARG A 23 31.115 -18.014 -11.637 1.00 1.00 N ATOM 334 CA ARG A 23 30.030 -18.880 -12.128 1.00 1.00 C ATOM 335 C ARG A 23 28.708 -18.458 -11.492 1.00 1.00 C ATOM 336 O ARG A 23 27.646 -18.523 -12.112 1.00 1.00 O ATOM 337 CB ARG A 23 30.345 -20.389 -11.850 1.00 1.00 C ATOM 338 CG ARG A 23 29.396 -20.991 -10.791 1.00 1.00 C ATOM 339 CD ARG A 23 29.822 -22.422 -10.447 1.00 1.00 C ATOM 340 NE ARG A 23 28.910 -22.978 -9.449 1.00 1.00 N ATOM 341 CZ ARG A 23 29.231 -24.049 -8.724 1.00 1.00 C ATOM 342 NH1 ARG A 23 30.373 -24.649 -8.907 1.00 1.00 N ATOM 343 NH2 ARG A 23 28.397 -24.506 -7.828 1.00 1.00 N ATOM 0 H ARG A 23 31.406 -17.295 -12.299 1.00 1.00 H new ATOM 0 HA ARG A 23 29.946 -18.765 -13.209 1.00 1.00 H new ATOM 0 HB2 ARG A 23 30.259 -20.955 -12.778 1.00 1.00 H new ATOM 0 HB3 ARG A 23 31.376 -20.488 -11.511 1.00 1.00 H new ATOM 0 HG2 ARG A 23 29.406 -20.375 -9.892 1.00 1.00 H new ATOM 0 HG3 ARG A 23 28.373 -20.989 -11.167 1.00 1.00 H new ATOM 0 HD2 ARG A 23 29.815 -23.040 -11.345 1.00 1.00 H new ATOM 0 HD3 ARG A 23 30.843 -22.426 -10.064 1.00 1.00 H new ATOM 0 HE ARG A 23 28.003 -22.534 -9.304 1.00 1.00 H new ATOM 0 HH11 ARG A 23 31.026 -24.299 -9.608 1.00 1.00 H new ATOM 0 HH12 ARG A 23 30.614 -25.468 -8.349 1.00 1.00 H new ATOM 0 HH21 ARG A 23 27.500 -24.043 -7.683 1.00 1.00 H new ATOM 0 HH22 ARG A 23 28.643 -25.326 -7.273 1.00 1.00 H new ATOM 357 N GLY A 24 28.800 -18.037 -10.246 1.00 1.00 N ATOM 358 CA GLY A 24 27.631 -17.604 -9.487 1.00 1.00 C ATOM 359 C GLY A 24 27.835 -17.837 -7.992 1.00 1.00 C ATOM 360 O GLY A 24 28.020 -16.887 -7.233 1.00 1.00 O ATOM 0 H GLY A 24 29.678 -17.983 -9.729 1.00 1.00 H new ATOM 0 HA2 GLY A 24 27.444 -16.546 -9.672 1.00 1.00 H new ATOM 0 HA3 GLY A 24 26.750 -18.148 -9.827 1.00 1.00 H new ATOM 364 N GLN A 25 27.810 -19.113 -7.586 1.00 1.00 N ATOM 365 CA GLN A 25 27.997 -19.490 -6.174 1.00 1.00 C ATOM 366 C GLN A 25 27.466 -18.407 -5.240 1.00 1.00 C ATOM 367 O GLN A 25 28.230 -17.618 -4.686 1.00 1.00 O ATOM 368 CB GLN A 25 29.481 -19.747 -5.884 1.00 1.00 C ATOM 369 CG GLN A 25 30.338 -18.670 -6.552 1.00 1.00 C ATOM 370 CD GLN A 25 31.807 -18.872 -6.198 1.00 1.00 C ATOM 371 OE1 GLN A 25 32.304 -19.997 -6.221 1.00 1.00 O ATOM 372 NE2 GLN A 25 32.537 -17.839 -5.877 1.00 1.00 N ATOM 0 H GLN A 25 27.662 -19.904 -8.213 1.00 1.00 H new ATOM 0 HA GLN A 25 27.432 -20.405 -5.994 1.00 1.00 H new ATOM 0 HB2 GLN A 25 29.655 -19.747 -4.808 1.00 1.00 H new ATOM 0 HB3 GLN A 25 29.767 -20.732 -6.253 1.00 1.00 H new ATOM 0 HG2 GLN A 25 30.208 -18.710 -7.633 1.00 1.00 H new ATOM 0 HG3 GLN A 25 30.011 -17.682 -6.228 1.00 1.00 H new ATOM 0 HE21 GLN A 25 32.122 -16.907 -5.859 1.00 1.00 H new ATOM 0 HE22 GLN A 25 33.522 -17.963 -5.644 1.00 1.00 H new ATOM 381 N ASN A 26 26.149 -18.374 -5.081 1.00 1.00 N ATOM 382 CA ASN A 26 25.515 -17.382 -4.225 1.00 1.00 C ATOM 383 C ASN A 26 24.192 -17.906 -3.691 1.00 1.00 C ATOM 384 O ASN A 26 23.132 -17.653 -4.263 1.00 1.00 O ATOM 385 CB ASN A 26 25.281 -16.097 -5.016 1.00 1.00 C ATOM 386 CG ASN A 26 24.372 -16.384 -6.204 1.00 1.00 C ATOM 387 OD1 ASN A 26 23.165 -16.154 -6.134 1.00 1.00 O ATOM 388 ND2 ASN A 26 24.883 -16.882 -7.295 1.00 1.00 N ATOM 0 H ASN A 26 25.502 -19.021 -5.532 1.00 1.00 H new ATOM 0 HA ASN A 26 26.173 -17.175 -3.381 1.00 1.00 H new ATOM 0 HB2 ASN A 26 24.829 -15.341 -4.374 1.00 1.00 H new ATOM 0 HB3 ASN A 26 26.232 -15.694 -5.363 1.00 1.00 H new ATOM 0 HD21 ASN A 26 24.282 -17.082 -8.094 1.00 1.00 H new ATOM 0 HD22 ASN A 26 25.884 -17.071 -7.349 1.00 1.00 H new ATOM 395 N LYS A 27 24.267 -18.626 -2.581 1.00 1.00 N ATOM 396 CA LYS A 27 23.075 -19.176 -1.954 1.00 1.00 C ATOM 397 C LYS A 27 22.293 -18.061 -1.259 1.00 1.00 C ATOM 398 O LYS A 27 21.691 -18.264 -0.204 1.00 1.00 O ATOM 399 CB LYS A 27 23.474 -20.252 -0.935 1.00 1.00 C ATOM 400 CG LYS A 27 24.735 -19.804 -0.151 1.00 1.00 C ATOM 401 CD LYS A 27 25.992 -20.471 -0.729 1.00 1.00 C ATOM 402 CE LYS A 27 27.232 -19.893 -0.047 1.00 1.00 C ATOM 403 NZ LYS A 27 27.367 -18.452 -0.404 1.00 1.00 N ATOM 0 H LYS A 27 25.139 -18.842 -2.097 1.00 1.00 H new ATOM 0 HA LYS A 27 22.443 -19.628 -2.719 1.00 1.00 H new ATOM 0 HB2 LYS A 27 22.651 -20.431 -0.243 1.00 1.00 H new ATOM 0 HB3 LYS A 27 23.671 -21.194 -1.447 1.00 1.00 H new ATOM 0 HG2 LYS A 27 24.836 -18.720 -0.201 1.00 1.00 H new ATOM 0 HG3 LYS A 27 24.628 -20.066 0.902 1.00 1.00 H new ATOM 0 HD2 LYS A 27 25.948 -21.549 -0.576 1.00 1.00 H new ATOM 0 HD3 LYS A 27 26.044 -20.304 -1.805 1.00 1.00 H new ATOM 0 HE2 LYS A 27 27.151 -20.005 1.034 1.00 1.00 H new ATOM 0 HE3 LYS A 27 28.121 -20.441 -0.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 28.374 -18.195 -0.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 26.936 -18.283 -1.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 26.885 -17.871 0.311 1.00 1.00 H new ATOM 417 N GLU A 28 22.301 -16.889 -1.877 1.00 1.00 N ATOM 418 CA GLU A 28 21.586 -15.730 -1.348 1.00 1.00 C ATOM 419 C GLU A 28 22.021 -15.419 0.079 1.00 1.00 C ATOM 420 O GLU A 28 21.209 -15.020 0.914 1.00 1.00 O ATOM 421 CB GLU A 28 20.093 -16.022 -1.381 1.00 1.00 C ATOM 422 CG GLU A 28 19.696 -16.385 -2.812 1.00 1.00 C ATOM 423 CD GLU A 28 18.220 -16.772 -2.863 1.00 1.00 C ATOM 424 OE1 GLU A 28 17.557 -16.632 -1.848 1.00 1.00 O ATOM 425 OE2 GLU A 28 17.774 -17.202 -3.915 1.00 1.00 O ATOM 0 H GLU A 28 22.797 -16.712 -2.751 1.00 1.00 H new ATOM 0 HA GLU A 28 21.816 -14.860 -1.963 1.00 1.00 H new ATOM 0 HB2 GLU A 28 19.853 -16.841 -0.703 1.00 1.00 H new ATOM 0 HB3 GLU A 28 19.530 -15.152 -1.042 1.00 1.00 H new ATOM 0 HG2 GLU A 28 19.882 -15.540 -3.475 1.00 1.00 H new ATOM 0 HG3 GLU A 28 20.310 -17.212 -3.170 1.00 1.00 H new ATOM 432 N ARG A 29 23.308 -15.607 0.360 1.00 1.00 N ATOM 433 CA ARG A 29 23.831 -15.342 1.697 1.00 1.00 C ATOM 434 C ARG A 29 24.175 -13.854 1.854 1.00 1.00 C ATOM 435 O ARG A 29 24.525 -13.188 0.877 1.00 1.00 O ATOM 436 CB ARG A 29 25.087 -16.197 1.943 1.00 1.00 C ATOM 437 CG ARG A 29 24.689 -17.635 2.328 1.00 1.00 C ATOM 438 CD ARG A 29 24.357 -17.717 3.828 1.00 1.00 C ATOM 439 NE ARG A 29 24.166 -19.104 4.226 1.00 1.00 N ATOM 440 CZ ARG A 29 25.200 -19.924 4.360 1.00 1.00 C ATOM 441 NH1 ARG A 29 26.409 -19.491 4.139 1.00 1.00 N ATOM 442 NH2 ARG A 29 25.005 -21.163 4.716 1.00 1.00 N ATOM 0 H ARG A 29 24.001 -15.938 -0.312 1.00 1.00 H new ATOM 0 HA ARG A 29 23.067 -15.602 2.430 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.706 -16.212 1.046 1.00 1.00 H new ATOM 0 HB3 ARG A 29 25.687 -15.754 2.738 1.00 1.00 H new ATOM 0 HG2 ARG A 29 23.827 -17.950 1.741 1.00 1.00 H new ATOM 0 HG3 ARG A 29 25.503 -18.320 2.091 1.00 1.00 H new ATOM 0 HD2 ARG A 29 25.163 -17.272 4.411 1.00 1.00 H new ATOM 0 HD3 ARG A 29 23.455 -17.143 4.040 1.00 1.00 H new ATOM 0 HE ARG A 29 23.223 -19.450 4.404 1.00 1.00 H new ATOM 0 HH11 ARG A 29 26.561 -18.521 3.863 1.00 1.00 H new ATOM 0 HH12 ARG A 29 27.204 -20.122 4.242 1.00 1.00 H new ATOM 0 HH21 ARG A 29 24.058 -21.500 4.891 1.00 1.00 H new ATOM 0 HH22 ARG A 29 25.799 -21.795 4.819 1.00 1.00 H new ATOM 456 N PRO A 30 24.085 -13.324 3.054 1.00 1.00 N ATOM 457 CA PRO A 30 24.397 -11.892 3.325 1.00 1.00 C ATOM 458 C PRO A 30 25.590 -11.391 2.498 1.00 1.00 C ATOM 459 O PRO A 30 26.450 -12.181 2.103 1.00 1.00 O ATOM 460 CB PRO A 30 24.719 -11.877 4.827 1.00 1.00 C ATOM 461 CG PRO A 30 23.953 -13.028 5.421 1.00 1.00 C ATOM 462 CD PRO A 30 23.677 -14.028 4.284 1.00 1.00 C ATOM 0 HA PRO A 30 23.574 -11.231 3.053 1.00 1.00 H new ATOM 0 HB2 PRO A 30 25.790 -11.989 4.999 1.00 1.00 H new ATOM 0 HB3 PRO A 30 24.421 -10.932 5.282 1.00 1.00 H new ATOM 0 HG2 PRO A 30 24.527 -13.501 6.218 1.00 1.00 H new ATOM 0 HG3 PRO A 30 23.019 -12.681 5.863 1.00 1.00 H new ATOM 0 HD2 PRO A 30 24.246 -14.948 4.420 1.00 1.00 H new ATOM 0 HD3 PRO A 30 22.624 -14.306 4.249 1.00 1.00 H new ATOM 470 N PRO A 31 25.667 -10.105 2.240 1.00 1.00 N ATOM 471 CA PRO A 31 26.785 -9.508 1.456 1.00 1.00 C ATOM 472 C PRO A 31 28.128 -10.191 1.756 1.00 1.00 C ATOM 473 O PRO A 31 28.302 -10.777 2.825 1.00 1.00 O ATOM 474 CB PRO A 31 26.799 -8.041 1.918 1.00 1.00 C ATOM 475 CG PRO A 31 25.398 -7.736 2.384 1.00 1.00 C ATOM 476 CD PRO A 31 24.696 -9.081 2.662 1.00 1.00 C ATOM 0 HA PRO A 31 26.645 -9.622 0.381 1.00 1.00 H new ATOM 0 HB2 PRO A 31 27.518 -7.893 2.723 1.00 1.00 H new ATOM 0 HB3 PRO A 31 27.092 -7.379 1.103 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.419 -7.122 3.284 1.00 1.00 H new ATOM 0 HG3 PRO A 31 24.857 -7.171 1.625 1.00 1.00 H new ATOM 0 HD2 PRO A 31 24.444 -9.185 3.717 1.00 1.00 H new ATOM 0 HD3 PRO A 31 23.764 -9.164 2.102 1.00 1.00 H new ATOM 484 N PRO A 32 29.084 -10.108 0.857 1.00 1.00 N ATOM 485 CA PRO A 32 30.429 -10.716 1.070 1.00 1.00 C ATOM 486 C PRO A 32 30.946 -10.482 2.493 1.00 1.00 C ATOM 487 O PRO A 32 30.984 -9.347 2.968 1.00 1.00 O ATOM 488 CB PRO A 32 31.315 -9.981 0.051 1.00 1.00 C ATOM 489 CG PRO A 32 30.397 -9.556 -1.058 1.00 1.00 C ATOM 490 CD PRO A 32 28.982 -9.448 -0.460 1.00 1.00 C ATOM 0 HA PRO A 32 30.417 -11.798 0.942 1.00 1.00 H new ATOM 0 HB2 PRO A 32 31.803 -9.119 0.507 1.00 1.00 H new ATOM 0 HB3 PRO A 32 32.104 -10.633 -0.323 1.00 1.00 H new ATOM 0 HG2 PRO A 32 30.713 -8.599 -1.474 1.00 1.00 H new ATOM 0 HG3 PRO A 32 30.416 -10.280 -1.873 1.00 1.00 H new ATOM 0 HD2 PRO A 32 28.672 -8.408 -0.359 1.00 1.00 H new ATOM 0 HD3 PRO A 32 28.245 -9.940 -1.094 1.00 1.00 H new ATOM 498 N VAL A 33 31.355 -11.563 3.156 1.00 1.00 N ATOM 499 CA VAL A 33 31.880 -11.474 4.518 1.00 1.00 C ATOM 500 C VAL A 33 32.421 -12.831 4.977 1.00 1.00 C ATOM 501 O VAL A 33 31.830 -13.492 5.829 1.00 1.00 O ATOM 502 CB VAL A 33 30.778 -10.981 5.475 1.00 1.00 C ATOM 503 CG1 VAL A 33 29.579 -11.957 5.475 1.00 1.00 C ATOM 504 CG2 VAL A 33 31.342 -10.844 6.899 1.00 1.00 C ATOM 0 H VAL A 33 31.333 -12.508 2.773 1.00 1.00 H new ATOM 0 HA VAL A 33 32.702 -10.759 4.530 1.00 1.00 H new ATOM 0 HB VAL A 33 30.432 -10.007 5.131 1.00 1.00 H new ATOM 0 HG11 VAL A 33 28.812 -11.591 6.157 1.00 1.00 H new ATOM 0 HG12 VAL A 33 29.166 -12.027 4.468 1.00 1.00 H new ATOM 0 HG13 VAL A 33 29.912 -12.943 5.799 1.00 1.00 H new ATOM 0 HG21 VAL A 33 30.557 -10.495 7.569 1.00 1.00 H new ATOM 0 HG22 VAL A 33 31.707 -11.813 7.241 1.00 1.00 H new ATOM 0 HG23 VAL A 33 32.163 -10.127 6.898 1.00 1.00 H new ATOM 514 N PRO A 34 33.528 -13.262 4.422 1.00 1.00 N ATOM 515 CA PRO A 34 34.156 -14.569 4.781 1.00 1.00 C ATOM 516 C PRO A 34 34.752 -14.546 6.193 1.00 1.00 C ATOM 517 O PRO A 34 35.208 -13.508 6.665 1.00 1.00 O ATOM 518 CB PRO A 34 35.255 -14.771 3.706 1.00 1.00 C ATOM 519 CG PRO A 34 35.023 -13.701 2.676 1.00 1.00 C ATOM 520 CD PRO A 34 34.308 -12.562 3.396 1.00 1.00 C ATOM 0 HA PRO A 34 33.431 -15.383 4.794 1.00 1.00 H new ATOM 0 HB2 PRO A 34 36.250 -14.684 4.143 1.00 1.00 H new ATOM 0 HB3 PRO A 34 35.188 -15.764 3.260 1.00 1.00 H new ATOM 0 HG2 PRO A 34 35.967 -13.360 2.250 1.00 1.00 H new ATOM 0 HG3 PRO A 34 34.419 -14.080 1.851 1.00 1.00 H new ATOM 0 HD2 PRO A 34 35.013 -11.856 3.836 1.00 1.00 H new ATOM 0 HD3 PRO A 34 33.669 -11.994 2.720 1.00 1.00 H new ATOM 528 N ASN A 35 34.757 -15.698 6.854 1.00 1.00 N ATOM 529 CA ASN A 35 35.315 -15.790 8.198 1.00 1.00 C ATOM 530 C ASN A 35 36.848 -15.711 8.138 1.00 1.00 C ATOM 531 O ASN A 35 37.470 -15.013 8.937 1.00 1.00 O ATOM 532 CB ASN A 35 34.880 -17.121 8.864 1.00 1.00 C ATOM 533 CG ASN A 35 34.070 -16.870 10.142 1.00 1.00 C ATOM 534 OD1 ASN A 35 34.613 -16.950 11.243 1.00 1.00 O ATOM 535 ND2 ASN A 35 32.800 -16.577 10.059 1.00 1.00 N ATOM 0 H ASN A 35 34.385 -16.573 6.486 1.00 1.00 H new ATOM 0 HA ASN A 35 34.940 -14.957 8.793 1.00 1.00 H new ATOM 0 HB2 ASN A 35 34.283 -17.703 8.162 1.00 1.00 H new ATOM 0 HB3 ASN A 35 35.762 -17.716 9.102 1.00 1.00 H new ATOM 0 HD21 ASN A 35 32.258 -16.414 10.907 1.00 1.00 H new ATOM 0 HD22 ASN A 35 32.351 -16.511 9.146 1.00 1.00 H new ATOM 542 N PRO A 36 37.460 -16.417 7.218 1.00 1.00 N ATOM 543 CA PRO A 36 38.945 -16.427 7.074 1.00 1.00 C ATOM 544 C PRO A 36 39.508 -15.025 6.978 1.00 1.00 C ATOM 545 O PRO A 36 40.711 -14.836 7.058 1.00 1.00 O ATOM 546 CB PRO A 36 39.195 -17.235 5.787 1.00 1.00 C ATOM 547 CG PRO A 36 37.974 -18.083 5.623 1.00 1.00 C ATOM 548 CD PRO A 36 36.813 -17.277 6.212 1.00 1.00 C ATOM 0 HA PRO A 36 39.442 -16.867 7.939 1.00 1.00 H new ATOM 0 HB2 PRO A 36 39.338 -16.578 4.929 1.00 1.00 H new ATOM 0 HB3 PRO A 36 40.093 -17.847 5.873 1.00 1.00 H new ATOM 0 HG2 PRO A 36 37.796 -18.311 4.572 1.00 1.00 H new ATOM 0 HG3 PRO A 36 38.089 -19.035 6.140 1.00 1.00 H new ATOM 0 HD2 PRO A 36 36.306 -16.688 5.448 1.00 1.00 H new ATOM 0 HD3 PRO A 36 36.063 -17.926 6.663 1.00 1.00 H new ATOM 556 N ASP A 37 38.631 -14.046 6.819 1.00 1.00 N ATOM 557 CA ASP A 37 39.080 -12.658 6.728 1.00 1.00 C ATOM 558 C ASP A 37 39.702 -12.228 8.048 1.00 1.00 C ATOM 559 O ASP A 37 40.517 -11.307 8.094 1.00 1.00 O ATOM 560 CB ASP A 37 37.921 -11.718 6.378 1.00 1.00 C ATOM 561 CG ASP A 37 36.893 -11.698 7.504 1.00 1.00 C ATOM 562 OD1 ASP A 37 37.038 -12.480 8.428 1.00 1.00 O ATOM 563 OD2 ASP A 37 35.970 -10.904 7.422 1.00 1.00 O ATOM 0 H ASP A 37 37.622 -14.178 6.751 1.00 1.00 H new ATOM 0 HA ASP A 37 39.822 -12.597 5.932 1.00 1.00 H new ATOM 0 HB2 ASP A 37 38.301 -10.711 6.206 1.00 1.00 H new ATOM 0 HB3 ASP A 37 37.448 -12.043 5.451 1.00 1.00 H new ATOM 568 N TYR A 38 39.302 -12.895 9.123 1.00 1.00 N ATOM 569 CA TYR A 38 39.816 -12.573 10.447 1.00 1.00 C ATOM 570 C TYR A 38 41.238 -13.100 10.637 1.00 1.00 C ATOM 571 O TYR A 38 41.672 -13.337 11.763 1.00 1.00 O ATOM 572 CB TYR A 38 38.893 -13.149 11.529 1.00 1.00 C ATOM 573 CG TYR A 38 37.503 -12.562 11.369 1.00 1.00 C ATOM 574 CD1 TYR A 38 37.309 -11.178 11.477 1.00 1.00 C ATOM 575 CD2 TYR A 38 36.408 -13.399 11.105 1.00 1.00 C ATOM 576 CE1 TYR A 38 36.034 -10.632 11.320 1.00 1.00 C ATOM 577 CE2 TYR A 38 35.128 -12.849 10.950 1.00 1.00 C ATOM 578 CZ TYR A 38 34.942 -11.465 11.056 1.00 1.00 C ATOM 579 OH TYR A 38 33.683 -10.921 10.896 1.00 1.00 O ATOM 0 H TYR A 38 38.626 -13.659 9.104 1.00 1.00 H new ATOM 0 HA TYR A 38 39.844 -11.487 10.539 1.00 1.00 H new ATOM 0 HB2 TYR A 38 38.853 -14.235 11.448 1.00 1.00 H new ATOM 0 HB3 TYR A 38 39.286 -12.918 12.519 1.00 1.00 H new ATOM 0 HD1 TYR A 38 38.149 -10.532 11.683 1.00 1.00 H new ATOM 0 HD2 TYR A 38 36.551 -14.466 11.021 1.00 1.00 H new ATOM 0 HE1 TYR A 38 35.891 -9.565 11.403 1.00 1.00 H new ATOM 0 HE2 TYR A 38 34.285 -13.493 10.749 1.00 1.00 H new ATOM 0 HH TYR A 38 33.038 -11.637 10.717 1.00 1.00 H new ATOM 589 N GLU A 39 41.966 -13.265 9.529 1.00 1.00 N ATOM 590 CA GLU A 39 43.350 -13.748 9.590 1.00 1.00 C ATOM 591 C GLU A 39 44.108 -13.170 10.813 1.00 1.00 C ATOM 592 O GLU A 39 44.662 -13.936 11.602 1.00 1.00 O ATOM 593 CB GLU A 39 44.121 -13.429 8.271 1.00 1.00 C ATOM 594 CG GLU A 39 43.207 -12.735 7.258 1.00 1.00 C ATOM 595 CD GLU A 39 43.984 -12.412 5.984 1.00 1.00 C ATOM 596 OE1 GLU A 39 45.064 -11.855 6.094 1.00 1.00 O ATOM 597 OE2 GLU A 39 43.485 -12.726 4.915 1.00 1.00 O ATOM 0 H GLU A 39 41.625 -13.074 8.587 1.00 1.00 H new ATOM 0 HA GLU A 39 43.303 -14.831 9.707 1.00 1.00 H new ATOM 0 HB2 GLU A 39 44.977 -12.791 8.491 1.00 1.00 H new ATOM 0 HB3 GLU A 39 44.512 -14.351 7.842 1.00 1.00 H new ATOM 0 HG2 GLU A 39 42.358 -13.377 7.023 1.00 1.00 H new ATOM 0 HG3 GLU A 39 42.803 -11.819 7.689 1.00 1.00 H new ATOM 604 N PRO A 40 44.164 -11.858 10.993 1.00 1.00 N ATOM 605 CA PRO A 40 44.895 -11.239 12.157 1.00 1.00 C ATOM 606 C PRO A 40 44.268 -11.578 13.515 1.00 1.00 C ATOM 607 O PRO A 40 44.454 -10.852 14.495 1.00 1.00 O ATOM 608 CB PRO A 40 44.823 -9.726 11.879 1.00 1.00 C ATOM 609 CG PRO A 40 43.640 -9.555 10.982 1.00 1.00 C ATOM 610 CD PRO A 40 43.573 -10.820 10.124 1.00 1.00 C ATOM 0 HA PRO A 40 45.914 -11.619 12.230 1.00 1.00 H new ATOM 0 HB2 PRO A 40 44.703 -9.160 12.803 1.00 1.00 H new ATOM 0 HB3 PRO A 40 45.735 -9.368 11.402 1.00 1.00 H new ATOM 0 HG2 PRO A 40 42.726 -9.428 11.562 1.00 1.00 H new ATOM 0 HG3 PRO A 40 43.748 -8.667 10.359 1.00 1.00 H new ATOM 0 HD2 PRO A 40 42.547 -11.064 9.848 1.00 1.00 H new ATOM 0 HD3 PRO A 40 44.134 -10.706 9.196 1.00 1.00 H new ATOM 618 N ILE A 41 43.535 -12.680 13.566 1.00 1.00 N ATOM 619 CA ILE A 41 42.886 -13.122 14.807 1.00 1.00 C ATOM 620 C ILE A 41 43.097 -14.628 15.006 1.00 1.00 C ATOM 621 O ILE A 41 42.205 -15.337 15.463 1.00 1.00 O ATOM 622 CB ILE A 41 41.372 -12.803 14.760 1.00 1.00 C ATOM 623 CG1 ILE A 41 41.123 -11.359 14.253 1.00 1.00 C ATOM 624 CG2 ILE A 41 40.742 -12.969 16.157 1.00 1.00 C ATOM 625 CD1 ILE A 41 41.503 -10.321 15.325 1.00 1.00 C ATOM 0 H ILE A 41 43.370 -13.290 12.765 1.00 1.00 H new ATOM 0 HA ILE A 41 43.334 -12.588 15.645 1.00 1.00 H new ATOM 0 HB ILE A 41 40.908 -13.505 14.067 1.00 1.00 H new ATOM 0 HG12 ILE A 41 41.706 -11.182 13.349 1.00 1.00 H new ATOM 0 HG13 ILE A 41 40.073 -11.241 13.984 1.00 1.00 H new ATOM 0 HG21 ILE A 41 39.677 -12.741 16.105 1.00 1.00 H new ATOM 0 HG22 ILE A 41 40.877 -13.996 16.497 1.00 1.00 H new ATOM 0 HG23 ILE A 41 41.226 -12.288 16.857 1.00 1.00 H new ATOM 0 HD11 ILE A 41 41.318 -9.318 14.942 1.00 1.00 H new ATOM 0 HD12 ILE A 41 40.901 -10.485 16.219 1.00 1.00 H new ATOM 0 HD13 ILE A 41 42.559 -10.425 15.574 1.00 1.00 H new ATOM 637 N ARG A 42 44.293 -15.110 14.669 1.00 1.00 N ATOM 638 CA ARG A 42 44.610 -16.530 14.828 1.00 1.00 C ATOM 639 C ARG A 42 46.121 -16.752 14.722 1.00 1.00 C ATOM 640 O ARG A 42 46.596 -17.436 13.816 1.00 1.00 O ATOM 641 CB ARG A 42 43.871 -17.387 13.775 1.00 1.00 C ATOM 642 CG ARG A 42 43.729 -16.636 12.437 1.00 1.00 C ATOM 643 CD ARG A 42 45.086 -16.554 11.730 1.00 1.00 C ATOM 644 NE ARG A 42 45.681 -17.883 11.611 1.00 1.00 N ATOM 645 CZ ARG A 42 46.889 -18.053 11.079 1.00 1.00 C ATOM 646 NH1 ARG A 42 47.560 -17.022 10.646 1.00 1.00 N ATOM 647 NH2 ARG A 42 47.401 -19.251 10.983 1.00 1.00 N ATOM 0 H ARG A 42 45.052 -14.545 14.288 1.00 1.00 H new ATOM 0 HA ARG A 42 44.274 -16.842 15.817 1.00 1.00 H new ATOM 0 HB2 ARG A 42 44.415 -18.318 13.615 1.00 1.00 H new ATOM 0 HB3 ARG A 42 42.883 -17.655 14.150 1.00 1.00 H new ATOM 0 HG2 ARG A 42 43.009 -17.148 11.799 1.00 1.00 H new ATOM 0 HG3 ARG A 42 43.342 -15.633 12.614 1.00 1.00 H new ATOM 0 HD2 ARG A 42 44.961 -16.115 10.740 1.00 1.00 H new ATOM 0 HD3 ARG A 42 45.754 -15.898 12.288 1.00 1.00 H new ATOM 0 HE ARG A 42 45.161 -18.696 11.942 1.00 1.00 H new ATOM 0 HH11 ARG A 42 47.159 -16.087 10.715 1.00 1.00 H new ATOM 0 HH12 ARG A 42 48.486 -17.151 10.238 1.00 1.00 H new ATOM 0 HH21 ARG A 42 46.875 -20.059 11.316 1.00 1.00 H new ATOM 0 HH22 ARG A 42 48.327 -19.379 10.575 1.00 1.00 H new ATOM 661 N LYS A 43 46.869 -16.175 15.660 1.00 1.00 N ATOM 662 CA LYS A 43 48.321 -16.313 15.669 1.00 1.00 C ATOM 663 C LYS A 43 48.879 -16.038 17.071 1.00 1.00 C ATOM 664 O LYS A 43 48.544 -15.024 17.683 1.00 1.00 O ATOM 665 CB LYS A 43 48.935 -15.322 14.672 1.00 1.00 C ATOM 666 CG LYS A 43 50.379 -15.727 14.348 1.00 1.00 C ATOM 667 CD LYS A 43 50.920 -14.858 13.205 1.00 1.00 C ATOM 668 CE LYS A 43 51.211 -13.440 13.708 1.00 1.00 C ATOM 669 NZ LYS A 43 52.016 -12.715 12.686 1.00 1.00 N ATOM 0 H LYS A 43 46.494 -15.609 16.421 1.00 1.00 H new ATOM 0 HA LYS A 43 48.578 -17.333 15.383 1.00 1.00 H new ATOM 0 HB2 LYS A 43 48.342 -15.299 13.758 1.00 1.00 H new ATOM 0 HB3 LYS A 43 48.916 -14.315 15.090 1.00 1.00 H new ATOM 0 HG2 LYS A 43 51.006 -15.612 15.232 1.00 1.00 H new ATOM 0 HG3 LYS A 43 50.416 -16.779 14.066 1.00 1.00 H new ATOM 0 HD2 LYS A 43 51.830 -15.302 12.801 1.00 1.00 H new ATOM 0 HD3 LYS A 43 50.195 -14.821 12.392 1.00 1.00 H new ATOM 0 HE2 LYS A 43 50.278 -12.909 13.897 1.00 1.00 H new ATOM 0 HE3 LYS A 43 51.752 -13.480 14.653 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 52.217 -11.751 13.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 52.911 -13.220 12.527 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 51.483 -12.667 11.794 1.00 1.00 H new ATOM 683 N GLY A 44 49.729 -16.934 17.575 1.00 1.00 N ATOM 684 CA GLY A 44 50.315 -16.751 18.911 1.00 1.00 C ATOM 685 C GLY A 44 51.196 -15.498 18.976 1.00 1.00 C ATOM 686 O GLY A 44 51.129 -14.735 19.941 1.00 1.00 O ATOM 0 H GLY A 44 50.026 -17.781 17.091 1.00 1.00 H new ATOM 0 HA2 GLY A 44 49.518 -16.675 19.651 1.00 1.00 H new ATOM 0 HA3 GLY A 44 50.909 -17.627 19.171 1.00 1.00 H new ATOM 690 N GLN A 45 52.014 -15.285 17.948 1.00 1.00 N ATOM 691 CA GLN A 45 52.893 -14.112 17.916 1.00 1.00 C ATOM 692 C GLN A 45 53.695 -13.997 19.206 1.00 1.00 C ATOM 693 O GLN A 45 53.404 -13.162 20.061 1.00 1.00 O ATOM 694 CB GLN A 45 52.048 -12.857 17.737 1.00 1.00 C ATOM 695 CG GLN A 45 52.952 -11.643 17.514 1.00 1.00 C ATOM 696 CD GLN A 45 52.099 -10.387 17.364 1.00 1.00 C ATOM 697 OE1 GLN A 45 52.273 -9.628 16.411 1.00 1.00 O ATOM 698 NE2 GLN A 45 51.179 -10.125 18.252 1.00 1.00 N ATOM 0 H GLN A 45 52.089 -15.897 17.136 1.00 1.00 H new ATOM 0 HA GLN A 45 53.588 -14.222 17.084 1.00 1.00 H new ATOM 0 HB2 GLN A 45 51.375 -12.980 16.888 1.00 1.00 H new ATOM 0 HB3 GLN A 45 51.425 -12.700 18.618 1.00 1.00 H new ATOM 0 HG2 GLN A 45 53.639 -11.530 18.353 1.00 1.00 H new ATOM 0 HG3 GLN A 45 53.561 -11.790 16.622 1.00 1.00 H new ATOM 0 HE21 GLN A 45 51.037 -10.756 19.041 1.00 1.00 H new ATOM 0 HE22 GLN A 45 50.602 -9.289 18.157 1.00 1.00 H new ATOM 707 N ARG A 46 54.712 -14.835 19.330 1.00 1.00 N ATOM 708 CA ARG A 46 55.568 -14.824 20.511 1.00 1.00 C ATOM 709 C ARG A 46 56.877 -15.554 20.230 1.00 1.00 C ATOM 710 O ARG A 46 57.918 -15.232 20.804 1.00 1.00 O ATOM 711 CB ARG A 46 54.847 -15.487 21.687 1.00 1.00 C ATOM 712 CG ARG A 46 54.201 -16.789 21.217 1.00 1.00 C ATOM 713 CD ARG A 46 53.547 -17.492 22.406 1.00 1.00 C ATOM 714 NE ARG A 46 52.918 -18.731 21.969 1.00 1.00 N ATOM 715 CZ ARG A 46 53.642 -19.822 21.747 1.00 1.00 C ATOM 716 NH1 ARG A 46 54.938 -19.781 21.888 1.00 1.00 N ATOM 717 NH2 ARG A 46 53.059 -20.929 21.378 1.00 1.00 N ATOM 0 H ARG A 46 54.967 -15.531 18.630 1.00 1.00 H new ATOM 0 HA ARG A 46 55.793 -13.788 20.765 1.00 1.00 H new ATOM 0 HB2 ARG A 46 55.552 -15.688 22.493 1.00 1.00 H new ATOM 0 HB3 ARG A 46 54.088 -14.815 22.088 1.00 1.00 H new ATOM 0 HG2 ARG A 46 53.456 -16.581 20.449 1.00 1.00 H new ATOM 0 HG3 ARG A 46 54.952 -17.438 20.765 1.00 1.00 H new ATOM 0 HD2 ARG A 46 54.295 -17.704 23.170 1.00 1.00 H new ATOM 0 HD3 ARG A 46 52.803 -16.838 22.861 1.00 1.00 H new ATOM 0 HE ARG A 46 51.908 -18.761 21.832 1.00 1.00 H new ATOM 0 HH11 ARG A 46 55.393 -18.912 22.168 1.00 1.00 H new ATOM 0 HH12 ARG A 46 55.496 -20.618 21.718 1.00 1.00 H new ATOM 0 HH21 ARG A 46 52.046 -20.957 21.260 1.00 1.00 H new ATOM 0 HH22 ARG A 46 53.616 -21.766 21.208 1.00 1.00 H new ATOM 731 N ASP A 47 56.813 -16.537 19.341 1.00 1.00 N ATOM 732 CA ASP A 47 57.994 -17.315 18.984 1.00 1.00 C ATOM 733 C ASP A 47 58.941 -16.485 18.132 1.00 1.00 C ATOM 734 O ASP A 47 60.069 -16.896 17.866 1.00 1.00 O ATOM 735 CB ASP A 47 57.599 -18.578 18.210 1.00 1.00 C ATOM 736 CG ASP A 47 56.614 -19.414 19.023 1.00 1.00 C ATOM 737 OD1 ASP A 47 56.852 -19.589 20.206 1.00 1.00 O ATOM 738 OD2 ASP A 47 55.638 -19.868 18.447 1.00 1.00 O ATOM 0 H ASP A 47 55.960 -16.814 18.855 1.00 1.00 H new ATOM 0 HA ASP A 47 58.495 -17.603 19.908 1.00 1.00 H new ATOM 0 HB2 ASP A 47 57.150 -18.302 17.256 1.00 1.00 H new ATOM 0 HB3 ASP A 47 58.488 -19.168 17.986 1.00 1.00 H new ATOM 743 N LEU A 48 58.478 -15.316 17.699 1.00 1.00 N ATOM 744 CA LEU A 48 59.310 -14.452 16.872 1.00 1.00 C ATOM 745 C LEU A 48 60.281 -13.670 17.750 1.00 1.00 C ATOM 746 O LEU A 48 61.169 -12.985 17.247 1.00 1.00 O ATOM 747 CB LEU A 48 58.429 -13.485 16.060 1.00 1.00 C ATOM 748 CG LEU A 48 59.188 -12.984 14.808 1.00 1.00 C ATOM 749 CD1 LEU A 48 59.053 -13.998 13.660 1.00 1.00 C ATOM 750 CD2 LEU A 48 58.607 -11.636 14.354 1.00 1.00 C ATOM 0 H LEU A 48 57.548 -14.951 17.903 1.00 1.00 H new ATOM 0 HA LEU A 48 59.881 -15.069 16.178 1.00 1.00 H new ATOM 0 HB2 LEU A 48 57.510 -13.987 15.759 1.00 1.00 H new ATOM 0 HB3 LEU A 48 58.141 -12.637 16.681 1.00 1.00 H new ATOM 0 HG LEU A 48 60.241 -12.867 15.065 1.00 1.00 H new ATOM 0 HD11 LEU A 48 59.592 -13.632 12.786 1.00 1.00 H new ATOM 0 HD12 LEU A 48 59.471 -14.956 13.969 1.00 1.00 H new ATOM 0 HD13 LEU A 48 58.000 -14.126 13.410 1.00 1.00 H new ATOM 0 HD21 LEU A 48 59.144 -11.287 13.472 1.00 1.00 H new ATOM 0 HD22 LEU A 48 57.551 -11.758 14.111 1.00 1.00 H new ATOM 0 HD23 LEU A 48 58.713 -10.906 15.156 1.00 1.00 H new ATOM 762 N TYR A 49 60.106 -13.780 19.072 1.00 1.00 N ATOM 763 CA TYR A 49 60.980 -13.081 20.022 1.00 1.00 C ATOM 764 C TYR A 49 61.837 -14.064 20.812 1.00 1.00 C ATOM 765 O TYR A 49 62.664 -13.654 21.626 1.00 1.00 O ATOM 766 CB TYR A 49 60.150 -12.242 21.001 1.00 1.00 C ATOM 767 CG TYR A 49 59.376 -11.192 20.241 1.00 1.00 C ATOM 768 CD1 TYR A 49 60.032 -10.051 19.765 1.00 1.00 C ATOM 769 CD2 TYR A 49 58.006 -11.363 20.007 1.00 1.00 C ATOM 770 CE1 TYR A 49 59.318 -9.078 19.057 1.00 1.00 C ATOM 771 CE2 TYR A 49 57.291 -10.388 19.300 1.00 1.00 C ATOM 772 CZ TYR A 49 57.948 -9.247 18.822 1.00 1.00 C ATOM 773 OH TYR A 49 57.246 -8.289 18.122 1.00 1.00 O ATOM 0 H TYR A 49 59.373 -14.342 19.506 1.00 1.00 H new ATOM 0 HA TYR A 49 61.633 -12.429 19.443 1.00 1.00 H new ATOM 0 HB2 TYR A 49 59.464 -12.884 21.554 1.00 1.00 H new ATOM 0 HB3 TYR A 49 60.803 -11.767 21.733 1.00 1.00 H new ATOM 0 HD1 TYR A 49 61.089 -9.922 19.944 1.00 1.00 H new ATOM 0 HD2 TYR A 49 57.501 -12.246 20.371 1.00 1.00 H new ATOM 0 HE1 TYR A 49 59.824 -8.196 18.692 1.00 1.00 H new ATOM 0 HE2 TYR A 49 56.233 -10.516 19.123 1.00 1.00 H new ATOM 0 HH TYR A 49 56.308 -8.561 18.046 1.00 1.00 H new ATOM 783 N SER A 50 61.647 -15.361 20.568 1.00 1.00 N ATOM 784 CA SER A 50 62.423 -16.389 21.265 1.00 1.00 C ATOM 785 C SER A 50 63.380 -17.067 20.304 1.00 1.00 C ATOM 786 O SER A 50 64.504 -17.414 20.666 1.00 1.00 O ATOM 787 CB SER A 50 61.484 -17.430 21.871 1.00 1.00 C ATOM 788 OG SER A 50 60.772 -18.083 20.827 1.00 1.00 O ATOM 0 H SER A 50 60.968 -15.724 19.899 1.00 1.00 H new ATOM 0 HA SER A 50 62.996 -15.913 22.061 1.00 1.00 H new ATOM 0 HB2 SER A 50 62.053 -18.158 22.449 1.00 1.00 H new ATOM 0 HB3 SER A 50 60.787 -16.952 22.559 1.00 1.00 H new ATOM 0 HG SER A 50 60.169 -18.753 21.212 1.00 1.00 H new ATOM 794 N GLY A 51 62.928 -17.244 19.073 1.00 1.00 N ATOM 795 CA GLY A 51 63.762 -17.881 18.053 1.00 1.00 C ATOM 796 C GLY A 51 64.698 -16.868 17.399 1.00 1.00 C ATOM 797 O GLY A 51 65.799 -17.214 16.973 1.00 1.00 O ATOM 0 H GLY A 51 62.001 -16.962 18.753 1.00 1.00 H new ATOM 0 HA2 GLY A 51 64.347 -18.682 18.505 1.00 1.00 H new ATOM 0 HA3 GLY A 51 63.128 -18.338 17.294 1.00 1.00 H new ATOM 801 N LEU A 52 64.253 -15.617 17.321 1.00 1.00 N ATOM 802 CA LEU A 52 65.069 -14.570 16.709 1.00 1.00 C ATOM 803 C LEU A 52 66.263 -14.250 17.604 1.00 1.00 C ATOM 804 O LEU A 52 67.357 -13.958 17.125 1.00 1.00 O ATOM 805 CB LEU A 52 64.232 -13.295 16.436 1.00 1.00 C ATOM 806 CG LEU A 52 64.747 -12.564 15.183 1.00 1.00 C ATOM 807 CD1 LEU A 52 63.924 -11.293 14.970 1.00 1.00 C ATOM 808 CD2 LEU A 52 66.228 -12.199 15.345 1.00 1.00 C ATOM 0 H LEU A 52 63.346 -15.305 17.668 1.00 1.00 H new ATOM 0 HA LEU A 52 65.435 -14.936 15.750 1.00 1.00 H new ATOM 0 HB2 LEU A 52 63.184 -13.564 16.301 1.00 1.00 H new ATOM 0 HB3 LEU A 52 64.282 -12.629 17.298 1.00 1.00 H new ATOM 0 HG LEU A 52 64.644 -13.221 14.320 1.00 1.00 H new ATOM 0 HD11 LEU A 52 64.284 -10.771 14.084 1.00 1.00 H new ATOM 0 HD12 LEU A 52 62.875 -11.557 14.834 1.00 1.00 H new ATOM 0 HD13 LEU A 52 64.025 -10.644 15.840 1.00 1.00 H new ATOM 0 HD21 LEU A 52 66.576 -11.683 14.450 1.00 1.00 H new ATOM 0 HD22 LEU A 52 66.350 -11.547 16.210 1.00 1.00 H new ATOM 0 HD23 LEU A 52 66.813 -13.107 15.490 1.00 1.00 H new ATOM 820 N ASN A 53 66.039 -14.299 18.913 1.00 1.00 N ATOM 821 CA ASN A 53 67.110 -13.993 19.861 1.00 1.00 C ATOM 822 C ASN A 53 68.269 -14.966 19.721 1.00 1.00 C ATOM 823 O ASN A 53 69.326 -14.747 20.316 1.00 1.00 O ATOM 824 CB ASN A 53 66.588 -13.973 21.319 1.00 1.00 C ATOM 825 CG ASN A 53 65.327 -13.116 21.413 1.00 1.00 C ATOM 826 OD1 ASN A 53 64.634 -12.918 20.414 1.00 1.00 O ATOM 827 ND2 ASN A 53 64.991 -12.583 22.559 1.00 1.00 N ATOM 0 H ASN A 53 65.144 -14.543 19.338 1.00 1.00 H new ATOM 0 HA ASN A 53 67.476 -12.995 19.621 1.00 1.00 H new ATOM 0 HB2 ASN A 53 66.372 -14.989 21.650 1.00 1.00 H new ATOM 0 HB3 ASN A 53 67.356 -13.577 21.983 1.00 1.00 H new ATOM 0 HD21 ASN A 53 64.155 -12.003 22.626 1.00 1.00 H new ATOM 0 HD22 ASN A 53 65.565 -12.747 23.386 1.00 1.00 H new ATOM 834 N GLN A 54 68.091 -16.036 18.932 1.00 1.00 N ATOM 835 CA GLN A 54 69.157 -17.024 18.751 1.00 1.00 C ATOM 836 C GLN A 54 69.790 -17.376 20.095 1.00 1.00 C ATOM 837 O GLN A 54 70.811 -18.060 20.152 1.00 1.00 O ATOM 838 CB GLN A 54 70.227 -16.477 17.807 1.00 1.00 C ATOM 839 CG GLN A 54 69.654 -16.378 16.391 1.00 1.00 C ATOM 840 CD GLN A 54 70.699 -15.799 15.443 1.00 1.00 C ATOM 841 OE1 GLN A 54 71.844 -15.584 15.839 1.00 1.00 O ATOM 842 NE2 GLN A 54 70.370 -15.530 14.209 1.00 1.00 N ATOM 0 H GLN A 54 67.233 -16.235 18.418 1.00 1.00 H new ATOM 0 HA GLN A 54 68.722 -17.925 18.317 1.00 1.00 H new ATOM 0 HB2 GLN A 54 70.559 -15.496 18.146 1.00 1.00 H new ATOM 0 HB3 GLN A 54 71.100 -17.129 17.813 1.00 1.00 H new ATOM 0 HG2 GLN A 54 69.345 -17.364 16.045 1.00 1.00 H new ATOM 0 HG3 GLN A 54 68.765 -15.748 16.393 1.00 1.00 H new ATOM 0 HE21 GLN A 54 69.420 -15.709 13.884 1.00 1.00 H new ATOM 0 HE22 GLN A 54 71.063 -15.140 13.570 1.00 1.00 H new ATOM 851 N ARG A 55 69.178 -16.897 21.171 1.00 1.00 N ATOM 852 CA ARG A 55 69.690 -17.153 22.507 1.00 1.00 C ATOM 853 C ARG A 55 71.020 -16.442 22.723 1.00 1.00 C ATOM 854 O ARG A 55 72.020 -16.751 22.079 1.00 1.00 O ATOM 855 CB ARG A 55 69.864 -18.664 22.713 1.00 1.00 C ATOM 856 CG ARG A 55 69.677 -19.039 24.196 1.00 1.00 C ATOM 857 CD ARG A 55 70.934 -18.704 25.010 1.00 1.00 C ATOM 858 NE ARG A 55 70.887 -17.309 25.429 1.00 1.00 N ATOM 859 CZ ARG A 55 70.053 -16.910 26.380 1.00 1.00 C ATOM 860 NH1 ARG A 55 69.253 -17.773 26.945 1.00 1.00 N ATOM 861 NH2 ARG A 55 70.028 -15.658 26.745 1.00 1.00 N ATOM 0 H ARG A 55 68.330 -16.331 21.143 1.00 1.00 H new ATOM 0 HA ARG A 55 68.974 -16.767 23.233 1.00 1.00 H new ATOM 0 HB2 ARG A 55 69.141 -19.205 22.103 1.00 1.00 H new ATOM 0 HB3 ARG A 55 70.855 -18.970 22.378 1.00 1.00 H new ATOM 0 HG2 ARG A 55 68.821 -18.503 24.605 1.00 1.00 H new ATOM 0 HG3 ARG A 55 69.457 -20.103 24.281 1.00 1.00 H new ATOM 0 HD2 ARG A 55 70.999 -19.354 25.882 1.00 1.00 H new ATOM 0 HD3 ARG A 55 71.826 -18.885 24.411 1.00 1.00 H new ATOM 0 HE ARG A 55 71.504 -16.630 24.984 1.00 1.00 H new ATOM 0 HH11 ARG A 55 69.271 -18.751 26.655 1.00 1.00 H new ATOM 0 HH12 ARG A 55 68.610 -17.470 27.677 1.00 1.00 H new ATOM 0 HH21 ARG A 55 70.650 -14.984 26.299 1.00 1.00 H new ATOM 0 HH22 ARG A 55 69.386 -15.353 27.476 1.00 1.00 H new ATOM 875 N ALA A 56 71.009 -15.493 23.644 1.00 1.00 N ATOM 876 CA ALA A 56 72.212 -14.720 23.972 1.00 1.00 C ATOM 877 C ALA A 56 72.430 -13.616 22.949 1.00 1.00 C ATOM 878 O ALA A 56 73.487 -13.526 22.321 1.00 1.00 O ATOM 879 CB ALA A 56 73.444 -15.637 24.028 1.00 1.00 C ATOM 0 H ALA A 56 70.183 -15.233 24.183 1.00 1.00 H new ATOM 0 HA ALA A 56 72.069 -14.266 24.953 1.00 1.00 H new ATOM 0 HB1 ALA A 56 74.327 -15.046 24.273 1.00 1.00 H new ATOM 0 HB2 ALA A 56 73.295 -16.400 24.792 1.00 1.00 H new ATOM 0 HB3 ALA A 56 73.585 -16.116 23.059 1.00 1.00 H new ATOM 885 N VAL A 57 71.420 -12.782 22.790 1.00 1.00 N ATOM 886 CA VAL A 57 71.498 -11.675 21.840 1.00 1.00 C ATOM 887 C VAL A 57 72.468 -10.613 22.347 1.00 1.00 C ATOM 888 O VAL A 57 73.145 -10.019 21.525 1.00 1.00 O ATOM 889 CB VAL A 57 70.112 -11.055 21.623 1.00 1.00 C ATOM 890 CG1 VAL A 57 69.496 -10.689 22.976 1.00 1.00 C ATOM 891 CG2 VAL A 57 70.239 -9.789 20.761 1.00 1.00 C ATOM 892 OXT VAL A 57 72.520 -10.411 23.549 1.00 1.00 O ATOM 0 H VAL A 57 70.539 -12.844 23.300 1.00 1.00 H new ATOM 0 HA VAL A 57 71.861 -12.063 20.888 1.00 1.00 H new ATOM 0 HB VAL A 57 69.472 -11.776 21.114 1.00 1.00 H new ATOM 0 HG11 VAL A 57 68.511 -10.249 22.820 1.00 1.00 H new ATOM 0 HG12 VAL A 57 69.400 -11.587 23.587 1.00 1.00 H new ATOM 0 HG13 VAL A 57 70.138 -9.971 23.486 1.00 1.00 H new ATOM 0 HG21 VAL A 57 69.252 -9.352 20.609 1.00 1.00 H new ATOM 0 HG22 VAL A 57 70.882 -9.068 21.266 1.00 1.00 H new ATOM 0 HG23 VAL A 57 70.673 -10.048 19.795 1.00 1.00 H new TER 902 VAL A 57