USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 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 3 MET CE :methyl 158:sc= -0.263 (180deg=-0.695) USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 1 GLU N :NH3+ 146:sc= 0.495 (180deg=-0.228) USER MOD Single : A 6 CYS SG : rot 180:sc= -0.619 USER MOD Single : A 8 THR OG1 : rot 130:sc= 0.0525 USER MOD Single : A 10 THR OG1 : rot 86:sc= 0.926 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -127:sc= -0.491 (180deg=-0.95) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 89:sc= 1.11 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.725 K(o=-0.72,f=-6.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 75:sc= 0.868 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0549 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0703 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.836 K(o=0.84,f=-2.9!) USER MOD Single : A 45 TYR OH : rot -138:sc= 1.29 USER MOD Single : A 46 TYR OH : rot -140:sc= -1.15 USER MOD Single : A 49 ASN : amide:sc= -0.548 K(o=-0.55,f=-4.9!) USER MOD Single : A 52 TYR OH : rot -90:sc= 1.24 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -126:sc= 1.13 (180deg=-0.552) USER MOD Single : A 71 HIS : no HE2:sc= 1.17 K(o=1.2,f=-4.6!) USER MOD Single : A 72 HIS : no HD1:sc= 0.265 K(o=0.26,f=-3.2!) USER MOD Single : A 73 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.6!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 75 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.963 2.344 -22.512 1.00 0.00 N ATOM 2 CA GLU A 1 2.325 1.930 -21.160 1.00 0.00 C ATOM 3 C GLU A 1 1.099 1.615 -20.338 1.00 0.00 C ATOM 4 O GLU A 1 0.401 2.520 -19.892 1.00 0.00 O ATOM 5 CB GLU A 1 3.167 3.004 -20.455 1.00 0.00 C ATOM 6 CG GLU A 1 4.661 2.973 -20.765 1.00 0.00 C ATOM 7 CD GLU A 1 4.971 2.831 -22.220 1.00 0.00 C ATOM 8 OE1 GLU A 1 4.426 3.600 -23.042 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.706 1.904 -22.573 1.00 0.00 O ATOM 0 H1 GLU A 1 2.641 3.057 -22.850 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.984 1.519 -23.145 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.006 2.752 -22.506 1.00 0.00 H new ATOM 0 HA GLU A 1 2.924 1.024 -21.250 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.777 3.984 -20.728 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.034 2.897 -19.378 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.119 3.889 -20.393 1.00 0.00 H new ATOM 0 HG3 GLU A 1 5.118 2.145 -20.223 1.00 0.00 H new ATOM 18 N ASP A 2 0.816 0.347 -20.176 1.00 0.00 N ATOM 19 CA ASP A 2 -0.258 -0.086 -19.306 1.00 0.00 C ATOM 20 C ASP A 2 0.278 -0.043 -17.898 1.00 0.00 C ATOM 21 O ASP A 2 -0.218 0.707 -17.057 1.00 0.00 O ATOM 22 CB ASP A 2 -0.706 -1.519 -19.648 1.00 0.00 C ATOM 23 CG ASP A 2 -1.885 -1.984 -18.805 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.682 -2.497 -17.670 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.039 -1.860 -19.261 1.00 0.00 O ATOM 0 H ASP A 2 1.317 -0.412 -20.638 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.125 0.563 -19.426 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.977 -1.568 -20.703 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.131 -2.201 -19.502 1.00 0.00 H new ATOM 30 N MET A 3 1.327 -0.839 -17.685 1.00 0.00 N ATOM 31 CA MET A 3 2.092 -0.930 -16.449 1.00 0.00 C ATOM 32 C MET A 3 2.935 -2.185 -16.480 1.00 0.00 C ATOM 33 O MET A 3 2.453 -3.271 -16.834 1.00 0.00 O ATOM 34 CB MET A 3 1.240 -0.979 -15.166 1.00 0.00 C ATOM 35 CG MET A 3 2.097 -0.985 -13.907 1.00 0.00 C ATOM 36 SD MET A 3 1.171 -1.185 -12.392 1.00 0.00 S ATOM 37 CE MET A 3 2.523 -1.090 -11.217 1.00 0.00 C ATOM 0 H MET A 3 1.680 -1.467 -18.407 1.00 0.00 H new ATOM 0 HA MET A 3 2.687 -0.017 -16.407 1.00 0.00 H new ATOM 0 HB2 MET A 3 0.570 -0.119 -15.144 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.614 -1.871 -15.182 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.828 -1.790 -13.982 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.656 -0.051 -13.857 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.136 -0.805 -10.239 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.012 -2.062 -11.145 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.245 -0.345 -11.552 1.00 0.00 H new ATOM 47 N GLU A 4 4.170 -2.026 -16.150 1.00 0.00 N ATOM 48 CA GLU A 4 5.090 -3.108 -15.971 1.00 0.00 C ATOM 49 C GLU A 4 5.463 -3.083 -14.495 1.00 0.00 C ATOM 50 O GLU A 4 5.217 -2.062 -13.852 1.00 0.00 O ATOM 51 CB GLU A 4 6.291 -2.886 -16.886 1.00 0.00 C ATOM 52 CG GLU A 4 5.897 -2.935 -18.350 1.00 0.00 C ATOM 53 CD GLU A 4 6.940 -2.392 -19.261 1.00 0.00 C ATOM 54 OE1 GLU A 4 6.979 -1.158 -19.454 1.00 0.00 O ATOM 55 OE2 GLU A 4 7.719 -3.170 -19.850 1.00 0.00 O ATOM 0 H GLU A 4 4.587 -1.109 -15.991 1.00 0.00 H new ATOM 0 HA GLU A 4 4.677 -4.083 -16.231 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.745 -1.920 -16.663 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.046 -3.646 -16.687 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.685 -3.968 -18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.974 -2.372 -18.489 1.00 0.00 H new ATOM 62 N PRO A 5 5.988 -4.188 -13.917 1.00 0.00 N ATOM 63 CA PRO A 5 6.327 -4.255 -12.485 1.00 0.00 C ATOM 64 C PRO A 5 7.187 -3.078 -12.009 1.00 0.00 C ATOM 65 O PRO A 5 8.384 -3.014 -12.278 1.00 0.00 O ATOM 66 CB PRO A 5 7.094 -5.571 -12.356 1.00 0.00 C ATOM 67 CG PRO A 5 6.567 -6.412 -13.465 1.00 0.00 C ATOM 68 CD PRO A 5 6.280 -5.466 -14.601 1.00 0.00 C ATOM 0 HA PRO A 5 5.432 -4.204 -11.865 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.169 -5.416 -12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 5 6.923 -6.038 -11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.294 -7.168 -13.761 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.664 -6.940 -13.159 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.133 -5.376 -15.274 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.435 -5.803 -15.201 1.00 0.00 H new ATOM 76 N CYS A 6 6.548 -2.140 -11.372 1.00 0.00 N ATOM 77 CA CYS A 6 7.175 -0.976 -10.843 1.00 0.00 C ATOM 78 C CYS A 6 6.422 -0.667 -9.570 1.00 0.00 C ATOM 79 O CYS A 6 5.198 -0.783 -9.550 1.00 0.00 O ATOM 80 CB CYS A 6 7.068 0.175 -11.855 1.00 0.00 C ATOM 81 SG CYS A 6 8.092 1.616 -11.486 1.00 0.00 S ATOM 0 H CYS A 6 5.542 -2.171 -11.204 1.00 0.00 H new ATOM 0 HA CYS A 6 8.237 -1.120 -10.645 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.340 -0.202 -12.841 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.027 0.493 -11.912 1.00 0.00 H new ATOM 0 HG CYS A 6 7.921 2.517 -12.407 1.00 0.00 H new ATOM 87 N LEU A 7 7.152 -0.373 -8.495 1.00 0.00 N ATOM 88 CA LEU A 7 6.600 -0.185 -7.126 1.00 0.00 C ATOM 89 C LEU A 7 6.138 -1.527 -6.522 1.00 0.00 C ATOM 90 O LEU A 7 5.901 -1.633 -5.315 1.00 0.00 O ATOM 91 CB LEU A 7 5.447 0.874 -7.017 1.00 0.00 C ATOM 92 CG LEU A 7 5.768 2.365 -7.289 1.00 0.00 C ATOM 93 CD1 LEU A 7 6.998 2.832 -6.531 1.00 0.00 C ATOM 94 CD2 LEU A 7 5.859 2.684 -8.774 1.00 0.00 C ATOM 0 H LEU A 7 8.164 -0.254 -8.537 1.00 0.00 H new ATOM 0 HA LEU A 7 7.433 0.219 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.660 0.575 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.031 0.805 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 7 4.921 2.934 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.185 3.883 -6.752 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.834 2.710 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.860 2.239 -6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.086 3.742 -8.906 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.649 2.085 -9.227 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.908 2.454 -9.254 1.00 0.00 H new ATOM 106 N THR A 8 6.065 -2.536 -7.355 1.00 0.00 N ATOM 107 CA THR A 8 5.598 -3.841 -7.001 1.00 0.00 C ATOM 108 C THR A 8 6.492 -4.506 -5.966 1.00 0.00 C ATOM 109 O THR A 8 7.726 -4.489 -6.084 1.00 0.00 O ATOM 110 CB THR A 8 5.491 -4.700 -8.268 1.00 0.00 C ATOM 111 OG1 THR A 8 6.666 -4.492 -9.072 1.00 0.00 O ATOM 112 CG2 THR A 8 4.264 -4.315 -9.076 1.00 0.00 C ATOM 0 H THR A 8 6.341 -2.461 -8.334 1.00 0.00 H new ATOM 0 HA THR A 8 4.614 -3.742 -6.543 1.00 0.00 H new ATOM 0 HB THR A 8 5.405 -5.747 -7.978 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.048 -5.359 -9.324 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.207 -4.936 -9.970 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.369 -4.465 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.334 -3.267 -9.366 1.00 0.00 H new ATOM 120 N GLY A 9 5.876 -5.032 -4.935 1.00 0.00 N ATOM 121 CA GLY A 9 6.618 -5.695 -3.894 1.00 0.00 C ATOM 122 C GLY A 9 6.978 -4.759 -2.765 1.00 0.00 C ATOM 123 O GLY A 9 7.438 -5.201 -1.701 1.00 0.00 O ATOM 0 H GLY A 9 4.866 -5.013 -4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.029 -6.524 -3.502 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.529 -6.121 -4.315 1.00 0.00 H new ATOM 127 N THR A 10 6.785 -3.468 -2.981 1.00 0.00 N ATOM 128 CA THR A 10 7.062 -2.505 -1.957 1.00 0.00 C ATOM 129 C THR A 10 6.010 -2.625 -0.883 1.00 0.00 C ATOM 130 O THR A 10 4.802 -2.504 -1.147 1.00 0.00 O ATOM 131 CB THR A 10 7.090 -1.070 -2.502 1.00 0.00 C ATOM 132 OG1 THR A 10 7.974 -1.013 -3.631 1.00 0.00 O ATOM 133 CG2 THR A 10 7.588 -0.094 -1.438 1.00 0.00 C ATOM 0 H THR A 10 6.439 -3.075 -3.856 1.00 0.00 H new ATOM 0 HA THR A 10 8.052 -2.713 -1.551 1.00 0.00 H new ATOM 0 HB THR A 10 6.078 -0.789 -2.792 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.483 -1.258 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.599 0.916 -1.847 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.924 -0.128 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.596 -0.373 -1.132 1.00 0.00 H new ATOM 141 N LYS A 11 6.467 -2.889 0.290 1.00 0.00 N ATOM 142 CA LYS A 11 5.622 -3.092 1.422 1.00 0.00 C ATOM 143 C LYS A 11 5.426 -1.766 2.094 1.00 0.00 C ATOM 144 O LYS A 11 6.348 -1.218 2.678 1.00 0.00 O ATOM 145 CB LYS A 11 6.273 -4.107 2.355 1.00 0.00 C ATOM 146 CG LYS A 11 6.644 -5.396 1.628 1.00 0.00 C ATOM 147 CD LYS A 11 7.442 -6.358 2.482 1.00 0.00 C ATOM 148 CE LYS A 11 6.642 -6.896 3.644 1.00 0.00 C ATOM 149 NZ LYS A 11 7.399 -7.916 4.391 1.00 0.00 N ATOM 0 H LYS A 11 7.462 -2.973 0.498 1.00 0.00 H new ATOM 0 HA LYS A 11 4.649 -3.487 1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.168 -3.670 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.591 -4.336 3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.733 -5.890 1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.220 -5.149 0.736 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.785 -7.189 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.331 -5.853 2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.373 -6.078 4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.711 -7.328 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.822 -8.266 5.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.634 -8.707 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.276 -7.496 4.760 1.00 0.00 H new ATOM 163 N VAL A 12 4.255 -1.234 1.945 1.00 0.00 N ATOM 164 CA VAL A 12 3.936 0.073 2.442 1.00 0.00 C ATOM 165 C VAL A 12 2.911 0.000 3.551 1.00 0.00 C ATOM 166 O VAL A 12 2.418 -1.085 3.907 1.00 0.00 O ATOM 167 CB VAL A 12 3.379 0.981 1.317 1.00 0.00 C ATOM 168 CG1 VAL A 12 4.410 1.177 0.228 1.00 0.00 C ATOM 169 CG2 VAL A 12 2.093 0.394 0.734 1.00 0.00 C ATOM 0 H VAL A 12 3.481 -1.698 1.469 1.00 0.00 H new ATOM 0 HA VAL A 12 4.863 0.498 2.828 1.00 0.00 H new ATOM 0 HB VAL A 12 3.147 1.954 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.998 1.818 -0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.300 1.645 0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.676 0.210 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.719 1.048 -0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.299 -0.593 0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.343 0.308 1.520 1.00 0.00 H new ATOM 179 N LYS A 13 2.588 1.138 4.069 1.00 0.00 N ATOM 180 CA LYS A 13 1.596 1.276 5.068 1.00 0.00 C ATOM 181 C LYS A 13 0.416 1.953 4.415 1.00 0.00 C ATOM 182 O LYS A 13 0.599 2.831 3.585 1.00 0.00 O ATOM 183 CB LYS A 13 2.135 2.147 6.181 1.00 0.00 C ATOM 184 CG LYS A 13 2.116 1.521 7.549 1.00 0.00 C ATOM 185 CD LYS A 13 0.721 1.207 8.024 1.00 0.00 C ATOM 186 CE LYS A 13 0.694 1.028 9.532 1.00 0.00 C ATOM 187 NZ LYS A 13 1.739 0.109 10.023 1.00 0.00 N ATOM 0 H LYS A 13 3.023 2.020 3.797 1.00 0.00 H new ATOM 0 HA LYS A 13 1.309 0.312 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.161 2.424 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.555 3.069 6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.705 0.604 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.595 2.195 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.044 2.011 7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.362 0.299 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.819 2.000 10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.284 0.650 9.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.303 -0.630 10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.221 -0.332 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.430 0.640 10.590 1.00 0.00 H new ATOM 201 N VAL A 14 -0.755 1.555 4.759 1.00 0.00 N ATOM 202 CA VAL A 14 -1.943 2.087 4.165 1.00 0.00 C ATOM 203 C VAL A 14 -2.874 2.555 5.264 1.00 0.00 C ATOM 204 O VAL A 14 -3.112 1.846 6.236 1.00 0.00 O ATOM 205 CB VAL A 14 -2.648 1.034 3.258 1.00 0.00 C ATOM 206 CG1 VAL A 14 -3.955 1.568 2.710 1.00 0.00 C ATOM 207 CG2 VAL A 14 -1.740 0.620 2.099 1.00 0.00 C ATOM 0 H VAL A 14 -0.925 0.842 5.469 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.673 2.929 3.528 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.859 0.162 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.423 0.810 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.622 1.816 3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.763 2.463 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.253 -0.116 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.497 1.495 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.822 0.185 2.494 1.00 0.00 H new ATOM 217 N LYS A 15 -3.339 3.739 5.121 1.00 0.00 N ATOM 218 CA LYS A 15 -4.218 4.377 6.052 1.00 0.00 C ATOM 219 C LYS A 15 -5.447 4.744 5.270 1.00 0.00 C ATOM 220 O LYS A 15 -5.413 5.637 4.464 1.00 0.00 O ATOM 221 CB LYS A 15 -3.473 5.595 6.603 1.00 0.00 C ATOM 222 CG LYS A 15 -4.184 6.476 7.593 1.00 0.00 C ATOM 223 CD LYS A 15 -3.186 7.499 8.124 1.00 0.00 C ATOM 224 CE LYS A 15 -3.786 8.441 9.139 1.00 0.00 C ATOM 225 NZ LYS A 15 -2.755 9.328 9.713 1.00 0.00 N ATOM 0 H LYS A 15 -3.112 4.325 4.317 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.513 3.757 6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.556 5.240 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.178 6.216 5.757 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.027 6.978 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.588 5.879 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.344 6.975 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.790 8.078 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.565 9.040 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.262 7.868 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.193 9.966 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.025 8.754 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.319 9.890 8.954 1.00 0.00 H new ATOM 239 N TYR A 16 -6.496 4.008 5.469 1.00 0.00 N ATOM 240 CA TYR A 16 -7.666 4.085 4.648 1.00 0.00 C ATOM 241 C TYR A 16 -8.882 3.894 5.559 1.00 0.00 C ATOM 242 O TYR A 16 -9.124 2.794 6.070 1.00 0.00 O ATOM 243 CB TYR A 16 -7.534 2.929 3.641 1.00 0.00 C ATOM 244 CG TYR A 16 -8.299 3.027 2.348 1.00 0.00 C ATOM 245 CD1 TYR A 16 -8.008 4.019 1.430 1.00 0.00 C ATOM 246 CD2 TYR A 16 -9.246 2.084 2.008 1.00 0.00 C ATOM 247 CE1 TYR A 16 -8.647 4.075 0.208 1.00 0.00 C ATOM 248 CE2 TYR A 16 -9.900 2.138 0.788 1.00 0.00 C ATOM 249 CZ TYR A 16 -9.591 3.132 -0.104 1.00 0.00 C ATOM 250 OH TYR A 16 -10.225 3.179 -1.324 1.00 0.00 O ATOM 0 H TYR A 16 -6.565 3.323 6.222 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.777 5.034 4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.478 2.818 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.843 2.012 4.143 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.266 4.765 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.481 1.292 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -8.405 4.856 -0.497 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.650 1.401 0.541 1.00 0.00 H new ATOM 0 HH TYR A 16 -9.706 2.671 -1.982 1.00 0.00 H new ATOM 260 N GLY A 17 -9.578 4.960 5.848 1.00 0.00 N ATOM 261 CA GLY A 17 -10.690 4.854 6.737 1.00 0.00 C ATOM 262 C GLY A 17 -11.382 6.168 6.979 1.00 0.00 C ATOM 263 O GLY A 17 -10.921 7.224 6.521 1.00 0.00 O ATOM 0 H GLY A 17 -9.395 5.895 5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.408 4.143 6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.348 4.450 7.690 1.00 0.00 H new ATOM 267 N ARG A 18 -12.510 6.109 7.657 1.00 0.00 N ATOM 268 CA ARG A 18 -13.284 7.291 7.992 1.00 0.00 C ATOM 269 C ARG A 18 -13.389 7.480 9.511 1.00 0.00 C ATOM 270 O ARG A 18 -14.070 6.705 10.198 1.00 0.00 O ATOM 271 CB ARG A 18 -14.704 7.293 7.345 1.00 0.00 C ATOM 272 CG ARG A 18 -15.553 6.033 7.587 1.00 0.00 C ATOM 273 CD ARG A 18 -15.333 4.983 6.519 1.00 0.00 C ATOM 274 NE ARG A 18 -15.897 5.393 5.233 1.00 0.00 N ATOM 275 CZ ARG A 18 -15.755 4.730 4.080 1.00 0.00 C ATOM 276 NH1 ARG A 18 -14.939 3.677 4.005 1.00 0.00 N ATOM 277 NH2 ARG A 18 -16.422 5.136 3.004 1.00 0.00 N ATOM 0 H ARG A 18 -12.919 5.237 7.993 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.739 8.135 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.253 8.156 7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.592 7.432 6.270 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.308 5.614 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.608 6.307 7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.265 4.798 6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.788 4.044 6.833 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.443 6.254 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.420 3.374 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.834 3.175 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.037 5.948 3.061 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.319 4.636 2.121 1.00 0.00 H new ATOM 291 N GLY A 19 -12.685 8.484 10.018 1.00 0.00 N ATOM 292 CA GLY A 19 -12.749 8.855 11.425 1.00 0.00 C ATOM 293 C GLY A 19 -12.311 7.758 12.370 1.00 0.00 C ATOM 294 O GLY A 19 -11.139 7.378 12.401 1.00 0.00 O ATOM 0 H GLY A 19 -12.054 9.064 9.465 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.123 9.732 11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.772 9.143 11.668 1.00 0.00 H new ATOM 298 N LYS A 20 -13.256 7.257 13.133 1.00 0.00 N ATOM 299 CA LYS A 20 -13.017 6.200 14.101 1.00 0.00 C ATOM 300 C LYS A 20 -12.906 4.859 13.388 1.00 0.00 C ATOM 301 O LYS A 20 -12.163 3.961 13.806 1.00 0.00 O ATOM 302 CB LYS A 20 -14.159 6.176 15.109 1.00 0.00 C ATOM 303 CG LYS A 20 -14.030 5.126 16.202 1.00 0.00 C ATOM 304 CD LYS A 20 -15.190 5.198 17.180 1.00 0.00 C ATOM 305 CE LYS A 20 -16.530 5.000 16.481 1.00 0.00 C ATOM 306 NZ LYS A 20 -17.653 5.060 17.422 1.00 0.00 N ATOM 0 H LYS A 20 -14.225 7.573 13.102 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.081 6.388 14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.232 7.158 15.576 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.093 6.008 14.573 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.992 4.134 15.753 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -13.091 5.269 16.737 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.065 4.436 17.950 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.182 6.165 17.684 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.657 5.766 15.716 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.535 4.036 15.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.546 4.921 16.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.546 4.313 18.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.665 5.989 17.890 1.00 0.00 H new ATOM 320 N THR A 21 -13.610 4.743 12.294 1.00 0.00 N ATOM 321 CA THR A 21 -13.588 3.566 11.470 1.00 0.00 C ATOM 322 C THR A 21 -12.397 3.703 10.493 1.00 0.00 C ATOM 323 O THR A 21 -12.535 3.751 9.257 1.00 0.00 O ATOM 324 CB THR A 21 -14.943 3.445 10.741 1.00 0.00 C ATOM 325 OG1 THR A 21 -15.995 3.458 11.742 1.00 0.00 O ATOM 326 CG2 THR A 21 -15.049 2.164 9.932 1.00 0.00 C ATOM 0 H THR A 21 -14.226 5.477 11.945 1.00 0.00 H new ATOM 0 HA THR A 21 -13.453 2.655 12.053 1.00 0.00 H new ATOM 0 HB THR A 21 -15.035 4.280 10.046 1.00 0.00 H new ATOM 0 HG1 THR A 21 -16.867 3.384 11.301 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.020 2.125 9.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.259 2.141 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.945 1.305 10.595 1.00 0.00 H new ATOM 334 N GLN A 22 -11.251 3.823 11.099 1.00 0.00 N ATOM 335 CA GLN A 22 -9.992 4.052 10.460 1.00 0.00 C ATOM 336 C GLN A 22 -9.246 2.741 10.360 1.00 0.00 C ATOM 337 O GLN A 22 -9.134 2.030 11.356 1.00 0.00 O ATOM 338 CB GLN A 22 -9.216 5.031 11.353 1.00 0.00 C ATOM 339 CG GLN A 22 -7.829 5.443 10.885 1.00 0.00 C ATOM 340 CD GLN A 22 -7.829 6.267 9.616 1.00 0.00 C ATOM 341 OE1 GLN A 22 -8.666 6.107 8.751 1.00 0.00 O ATOM 342 NE2 GLN A 22 -6.925 7.195 9.535 1.00 0.00 N ATOM 0 H GLN A 22 -11.168 3.759 12.114 1.00 0.00 H new ATOM 0 HA GLN A 22 -10.116 4.459 9.456 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.817 5.933 11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.120 4.584 12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.344 6.014 11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.229 4.547 10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.236 7.302 10.280 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.903 7.817 8.727 1.00 0.00 H new ATOM 351 N LYS A 23 -8.783 2.381 9.192 1.00 0.00 N ATOM 352 CA LYS A 23 -8.000 1.174 9.082 1.00 0.00 C ATOM 353 C LYS A 23 -6.613 1.505 8.623 1.00 0.00 C ATOM 354 O LYS A 23 -6.417 1.990 7.509 1.00 0.00 O ATOM 355 CB LYS A 23 -8.611 0.126 8.139 1.00 0.00 C ATOM 356 CG LYS A 23 -10.001 -0.368 8.518 1.00 0.00 C ATOM 357 CD LYS A 23 -11.096 0.255 7.656 1.00 0.00 C ATOM 358 CE LYS A 23 -10.970 -0.179 6.191 1.00 0.00 C ATOM 359 NZ LYS A 23 -12.096 0.291 5.366 1.00 0.00 N ATOM 0 H LYS A 23 -8.928 2.891 8.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.983 0.731 10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.656 0.549 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.940 -0.732 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.038 -1.453 8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.192 -0.137 9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.074 -0.036 8.040 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.039 1.342 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.037 0.206 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.916 -1.266 6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.964 -0.028 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.986 -0.097 5.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.134 1.330 5.390 1.00 0.00 H new ATOM 373 N ILE A 24 -5.662 1.317 9.490 1.00 0.00 N ATOM 374 CA ILE A 24 -4.298 1.491 9.120 1.00 0.00 C ATOM 375 C ILE A 24 -3.652 0.114 9.070 1.00 0.00 C ATOM 376 O ILE A 24 -3.369 -0.506 10.107 1.00 0.00 O ATOM 377 CB ILE A 24 -3.543 2.384 10.111 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.376 3.625 10.423 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.227 2.814 9.468 1.00 0.00 C ATOM 380 CD1 ILE A 24 -3.873 4.410 11.604 1.00 0.00 C ATOM 0 H ILE A 24 -5.812 1.042 10.461 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.253 1.985 8.149 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.355 1.836 11.035 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.389 4.273 9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.406 3.322 10.611 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.675 3.451 10.159 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.631 1.932 9.233 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.433 3.367 8.551 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.514 5.277 11.765 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.886 3.779 12.493 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.853 4.744 11.411 1.00 0.00 H new ATOM 392 N TYR A 25 -3.444 -0.353 7.891 1.00 0.00 N ATOM 393 CA TYR A 25 -2.929 -1.679 7.630 1.00 0.00 C ATOM 394 C TYR A 25 -1.712 -1.638 6.716 1.00 0.00 C ATOM 395 O TYR A 25 -1.424 -0.613 6.143 1.00 0.00 O ATOM 396 CB TYR A 25 -4.035 -2.669 7.137 1.00 0.00 C ATOM 397 CG TYR A 25 -5.241 -2.109 6.324 1.00 0.00 C ATOM 398 CD1 TYR A 25 -5.169 -0.964 5.513 1.00 0.00 C ATOM 399 CD2 TYR A 25 -6.459 -2.785 6.368 1.00 0.00 C ATOM 400 CE1 TYR A 25 -6.283 -0.525 4.786 1.00 0.00 C ATOM 401 CE2 TYR A 25 -7.560 -2.352 5.651 1.00 0.00 C ATOM 402 CZ TYR A 25 -7.469 -1.230 4.861 1.00 0.00 C ATOM 403 OH TYR A 25 -8.579 -0.810 4.152 1.00 0.00 O ATOM 0 H TYR A 25 -3.629 0.183 7.043 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.587 -2.082 8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.548 -3.427 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.436 -3.177 8.014 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.241 -0.414 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.546 -3.671 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.215 0.360 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.491 -2.895 5.712 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.463 -1.029 3.204 1.00 0.00 H new ATOM 413 N GLU A 26 -0.975 -2.723 6.624 1.00 0.00 N ATOM 414 CA GLU A 26 0.235 -2.742 5.817 1.00 0.00 C ATOM 415 C GLU A 26 0.014 -3.578 4.562 1.00 0.00 C ATOM 416 O GLU A 26 -0.515 -4.693 4.632 1.00 0.00 O ATOM 417 CB GLU A 26 1.397 -3.303 6.625 1.00 0.00 C ATOM 418 CG GLU A 26 1.765 -2.461 7.821 1.00 0.00 C ATOM 419 CD GLU A 26 2.933 -3.011 8.598 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.080 -2.645 8.302 1.00 0.00 O ATOM 421 OE2 GLU A 26 2.710 -3.767 9.565 1.00 0.00 O ATOM 0 H GLU A 26 -1.187 -3.603 7.094 1.00 0.00 H new ATOM 0 HA GLU A 26 0.476 -1.721 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.142 -4.307 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.268 -3.397 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.003 -1.451 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.902 -2.383 8.482 1.00 0.00 H new ATOM 428 N ALA A 27 0.430 -3.061 3.431 1.00 0.00 N ATOM 429 CA ALA A 27 0.178 -3.712 2.164 1.00 0.00 C ATOM 430 C ALA A 27 1.387 -3.685 1.280 1.00 0.00 C ATOM 431 O ALA A 27 2.389 -3.111 1.622 1.00 0.00 O ATOM 432 CB ALA A 27 -0.974 -3.039 1.457 1.00 0.00 C ATOM 0 H ALA A 27 0.948 -2.185 3.360 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.071 -4.753 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.156 -3.536 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.868 -3.103 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.730 -1.992 1.279 1.00 0.00 H new ATOM 438 N SER A 28 1.300 -4.344 0.172 1.00 0.00 N ATOM 439 CA SER A 28 2.333 -4.318 -0.819 1.00 0.00 C ATOM 440 C SER A 28 1.733 -3.861 -2.129 1.00 0.00 C ATOM 441 O SER A 28 0.606 -4.273 -2.470 1.00 0.00 O ATOM 442 CB SER A 28 2.949 -5.693 -0.965 1.00 0.00 C ATOM 443 OG SER A 28 3.463 -6.140 0.283 1.00 0.00 O ATOM 0 H SER A 28 0.499 -4.925 -0.077 1.00 0.00 H new ATOM 0 HA SER A 28 3.121 -3.627 -0.519 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.201 -6.397 -1.331 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.748 -5.664 -1.705 1.00 0.00 H new ATOM 0 HG SER A 28 3.857 -7.031 0.174 1.00 0.00 H new ATOM 449 N ILE A 29 2.442 -2.994 -2.836 1.00 0.00 N ATOM 450 CA ILE A 29 1.965 -2.473 -4.104 1.00 0.00 C ATOM 451 C ILE A 29 1.977 -3.591 -5.136 1.00 0.00 C ATOM 452 O ILE A 29 3.007 -4.247 -5.351 1.00 0.00 O ATOM 453 CB ILE A 29 2.828 -1.284 -4.624 1.00 0.00 C ATOM 454 CG1 ILE A 29 3.089 -0.244 -3.510 1.00 0.00 C ATOM 455 CG2 ILE A 29 2.154 -0.611 -5.832 1.00 0.00 C ATOM 456 CD1 ILE A 29 1.845 0.341 -2.871 1.00 0.00 C ATOM 0 H ILE A 29 3.353 -2.636 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 29 0.954 -2.097 -3.947 1.00 0.00 H new ATOM 0 HB ILE A 29 3.790 -1.690 -4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.692 -0.712 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.682 0.570 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.773 0.216 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.036 -1.339 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.175 -0.233 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.134 1.059 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.247 0.844 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.258 -0.458 -2.418 1.00 0.00 H new ATOM 468 N LYS A 30 0.834 -3.827 -5.719 1.00 0.00 N ATOM 469 CA LYS A 30 0.649 -4.870 -6.690 1.00 0.00 C ATOM 470 C LYS A 30 0.515 -4.236 -8.083 1.00 0.00 C ATOM 471 O LYS A 30 1.052 -4.747 -9.066 1.00 0.00 O ATOM 472 CB LYS A 30 -0.601 -5.690 -6.272 1.00 0.00 C ATOM 473 CG LYS A 30 -0.824 -7.024 -6.986 1.00 0.00 C ATOM 474 CD LYS A 30 -1.296 -6.861 -8.402 1.00 0.00 C ATOM 475 CE LYS A 30 -1.518 -8.199 -9.059 1.00 0.00 C ATOM 476 NZ LYS A 30 -2.113 -8.050 -10.391 1.00 0.00 N ATOM 0 H LYS A 30 -0.011 -3.289 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 30 1.500 -5.550 -6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.536 -5.885 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.483 -5.069 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.107 -7.592 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.556 -7.609 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.223 -6.288 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.561 -6.291 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.568 -8.728 -9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.170 -8.809 -8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.253 -8.989 -10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.030 -7.567 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.478 -7.488 -10.994 1.00 0.00 H new ATOM 490 N SER A 31 -0.208 -3.135 -8.165 1.00 0.00 N ATOM 491 CA SER A 31 -0.372 -2.399 -9.410 1.00 0.00 C ATOM 492 C SER A 31 -0.637 -0.921 -9.088 1.00 0.00 C ATOM 493 O SER A 31 -0.865 -0.575 -7.926 1.00 0.00 O ATOM 494 CB SER A 31 -1.520 -2.999 -10.255 1.00 0.00 C ATOM 495 OG SER A 31 -1.289 -4.383 -10.509 1.00 0.00 O ATOM 0 H SER A 31 -0.699 -2.723 -7.372 1.00 0.00 H new ATOM 0 HA SER A 31 0.541 -2.477 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.468 -2.874 -9.731 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.604 -2.460 -11.199 1.00 0.00 H new ATOM 0 HG SER A 31 -2.026 -4.745 -11.043 1.00 0.00 H new ATOM 501 N THR A 32 -0.534 -0.051 -10.070 1.00 0.00 N ATOM 502 CA THR A 32 -0.807 1.365 -9.895 1.00 0.00 C ATOM 503 C THR A 32 -1.293 1.899 -11.230 1.00 0.00 C ATOM 504 O THR A 32 -0.831 1.440 -12.272 1.00 0.00 O ATOM 505 CB THR A 32 0.475 2.146 -9.534 1.00 0.00 C ATOM 506 OG1 THR A 32 1.351 1.327 -8.754 1.00 0.00 O ATOM 507 CG2 THR A 32 0.121 3.321 -8.689 1.00 0.00 C ATOM 0 H THR A 32 -0.257 -0.305 -11.018 1.00 0.00 H new ATOM 0 HA THR A 32 -1.536 1.487 -9.094 1.00 0.00 H new ATOM 0 HB THR A 32 0.957 2.452 -10.463 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.161 1.833 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.026 3.872 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.558 3.973 -9.238 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.365 2.979 -7.775 1.00 0.00 H new ATOM 515 N GLU A 33 -2.213 2.824 -11.211 1.00 0.00 N ATOM 516 CA GLU A 33 -2.686 3.423 -12.429 1.00 0.00 C ATOM 517 C GLU A 33 -3.223 4.796 -12.174 1.00 0.00 C ATOM 518 O GLU A 33 -3.444 5.185 -11.032 1.00 0.00 O ATOM 519 CB GLU A 33 -3.742 2.591 -13.127 1.00 0.00 C ATOM 520 CG GLU A 33 -5.120 2.593 -12.484 1.00 0.00 C ATOM 521 CD GLU A 33 -6.160 1.955 -13.376 1.00 0.00 C ATOM 522 OE1 GLU A 33 -6.719 2.645 -14.247 1.00 0.00 O ATOM 523 OE2 GLU A 33 -6.456 0.749 -13.222 1.00 0.00 O ATOM 0 H GLU A 33 -2.652 3.181 -10.362 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.822 3.480 -13.091 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.840 2.949 -14.152 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.389 1.561 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.078 2.058 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.414 3.618 -12.259 1.00 0.00 H new ATOM 530 N ILE A 34 -3.416 5.524 -13.224 1.00 0.00 N ATOM 531 CA ILE A 34 -3.932 6.851 -13.144 1.00 0.00 C ATOM 532 C ILE A 34 -5.337 6.811 -13.674 1.00 0.00 C ATOM 533 O ILE A 34 -5.573 6.417 -14.822 1.00 0.00 O ATOM 534 CB ILE A 34 -3.102 7.881 -13.986 1.00 0.00 C ATOM 535 CG1 ILE A 34 -1.659 8.081 -13.458 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.816 9.235 -14.044 1.00 0.00 C ATOM 537 CD1 ILE A 34 -0.769 6.848 -13.447 1.00 0.00 C ATOM 0 H ILE A 34 -3.217 5.210 -14.174 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.884 7.181 -12.106 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.026 7.457 -14.987 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.176 8.847 -14.065 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.717 8.470 -12.441 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.223 9.934 -14.633 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.795 9.111 -14.507 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.939 9.625 -13.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.214 7.112 -13.058 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.216 6.082 -12.813 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.666 6.465 -14.462 1.00 0.00 H new ATOM 549 N ASP A 35 -6.245 7.176 -12.856 1.00 0.00 N ATOM 550 CA ASP A 35 -7.639 7.186 -13.211 1.00 0.00 C ATOM 551 C ASP A 35 -8.244 8.476 -12.800 1.00 0.00 C ATOM 552 O ASP A 35 -8.090 8.885 -11.661 1.00 0.00 O ATOM 553 CB ASP A 35 -8.405 6.047 -12.552 1.00 0.00 C ATOM 554 CG ASP A 35 -9.879 6.085 -12.907 1.00 0.00 C ATOM 555 OD1 ASP A 35 -10.239 5.668 -14.024 1.00 0.00 O ATOM 556 OD2 ASP A 35 -10.706 6.516 -12.072 1.00 0.00 O ATOM 0 H ASP A 35 -6.056 7.484 -11.902 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.704 7.056 -14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.980 5.093 -12.864 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.289 6.108 -11.470 1.00 0.00 H new ATOM 561 N ASP A 36 -8.863 9.152 -13.751 1.00 0.00 N ATOM 562 CA ASP A 36 -9.591 10.411 -13.524 1.00 0.00 C ATOM 563 C ASP A 36 -8.624 11.505 -13.045 1.00 0.00 C ATOM 564 O ASP A 36 -9.004 12.488 -12.431 1.00 0.00 O ATOM 565 CB ASP A 36 -10.752 10.178 -12.523 1.00 0.00 C ATOM 566 CG ASP A 36 -11.767 11.300 -12.487 1.00 0.00 C ATOM 567 OD1 ASP A 36 -12.608 11.376 -13.411 1.00 0.00 O ATOM 568 OD2 ASP A 36 -11.768 12.099 -11.531 1.00 0.00 O ATOM 0 H ASP A 36 -8.881 8.845 -14.724 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.029 10.754 -14.461 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.261 9.250 -12.782 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.336 10.046 -11.524 1.00 0.00 H new ATOM 573 N GLY A 37 -7.363 11.322 -13.371 1.00 0.00 N ATOM 574 CA GLY A 37 -6.355 12.297 -13.037 1.00 0.00 C ATOM 575 C GLY A 37 -5.719 12.073 -11.673 1.00 0.00 C ATOM 576 O GLY A 37 -4.966 12.929 -11.194 1.00 0.00 O ATOM 0 H GLY A 37 -7.013 10.503 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.576 12.278 -13.799 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.801 13.291 -13.062 1.00 0.00 H new ATOM 580 N GLU A 38 -6.014 10.962 -11.037 1.00 0.00 N ATOM 581 CA GLU A 38 -5.409 10.648 -9.754 1.00 0.00 C ATOM 582 C GLU A 38 -4.740 9.285 -9.821 1.00 0.00 C ATOM 583 O GLU A 38 -5.096 8.464 -10.678 1.00 0.00 O ATOM 584 CB GLU A 38 -6.448 10.721 -8.623 1.00 0.00 C ATOM 585 CG GLU A 38 -7.614 9.750 -8.756 1.00 0.00 C ATOM 586 CD GLU A 38 -8.684 9.975 -7.720 1.00 0.00 C ATOM 587 OE1 GLU A 38 -9.558 10.836 -7.938 1.00 0.00 O ATOM 588 OE2 GLU A 38 -8.680 9.308 -6.671 1.00 0.00 O ATOM 0 H GLU A 38 -6.667 10.259 -11.383 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.644 11.391 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.944 10.533 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.843 11.736 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.051 9.848 -9.750 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.242 8.729 -8.671 1.00 0.00 H new ATOM 595 N VAL A 39 -3.772 9.042 -8.956 1.00 0.00 N ATOM 596 CA VAL A 39 -3.058 7.783 -8.993 1.00 0.00 C ATOM 597 C VAL A 39 -3.609 6.846 -7.958 1.00 0.00 C ATOM 598 O VAL A 39 -3.589 7.130 -6.747 1.00 0.00 O ATOM 599 CB VAL A 39 -1.523 7.924 -8.806 1.00 0.00 C ATOM 600 CG1 VAL A 39 -0.809 6.605 -9.145 1.00 0.00 C ATOM 601 CG2 VAL A 39 -0.971 9.064 -9.636 1.00 0.00 C ATOM 0 H VAL A 39 -3.467 9.690 -8.230 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.212 7.380 -9.994 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.335 8.155 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.265 6.727 -9.007 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.172 5.815 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.013 6.337 -10.181 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.106 9.137 -9.483 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.176 8.879 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.445 9.998 -9.332 1.00 0.00 H new ATOM 611 N LEU A 40 -4.098 5.749 -8.437 1.00 0.00 N ATOM 612 CA LEU A 40 -4.673 4.741 -7.628 1.00 0.00 C ATOM 613 C LEU A 40 -3.752 3.559 -7.604 1.00 0.00 C ATOM 614 O LEU A 40 -3.176 3.176 -8.626 1.00 0.00 O ATOM 615 CB LEU A 40 -6.041 4.337 -8.166 1.00 0.00 C ATOM 616 CG LEU A 40 -7.070 5.462 -8.283 1.00 0.00 C ATOM 617 CD1 LEU A 40 -8.396 4.920 -8.783 1.00 0.00 C ATOM 618 CD2 LEU A 40 -7.239 6.180 -6.950 1.00 0.00 C ATOM 0 H LEU A 40 -4.105 5.529 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.811 5.121 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.905 3.891 -9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.450 3.562 -7.518 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.706 6.188 -9.010 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.116 5.735 -8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.257 4.465 -9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.769 4.171 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.976 6.976 -7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.578 5.471 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.284 6.607 -6.643 1.00 0.00 H new ATOM 630 N TYR A 41 -3.597 3.019 -6.463 1.00 0.00 N ATOM 631 CA TYR A 41 -2.729 1.918 -6.223 1.00 0.00 C ATOM 632 C TYR A 41 -3.544 0.704 -5.896 1.00 0.00 C ATOM 633 O TYR A 41 -4.554 0.793 -5.213 1.00 0.00 O ATOM 634 CB TYR A 41 -1.798 2.211 -5.039 1.00 0.00 C ATOM 635 CG TYR A 41 -0.739 3.270 -5.268 1.00 0.00 C ATOM 636 CD1 TYR A 41 -1.064 4.615 -5.397 1.00 0.00 C ATOM 637 CD2 TYR A 41 0.600 2.916 -5.335 1.00 0.00 C ATOM 638 CE1 TYR A 41 -0.084 5.569 -5.588 1.00 0.00 C ATOM 639 CE2 TYR A 41 1.582 3.863 -5.520 1.00 0.00 C ATOM 640 CZ TYR A 41 1.237 5.188 -5.646 1.00 0.00 C ATOM 641 OH TYR A 41 2.225 6.138 -5.828 1.00 0.00 O ATOM 0 H TYR A 41 -4.088 3.338 -5.628 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.132 1.749 -7.119 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.409 2.516 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.300 1.283 -4.757 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.099 4.919 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.878 1.877 -5.240 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.353 6.610 -5.691 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.619 3.566 -5.566 1.00 0.00 H new ATOM 0 HH TYR A 41 3.101 5.700 -5.844 1.00 0.00 H new ATOM 651 N LEU A 42 -3.098 -0.404 -6.366 1.00 0.00 N ATOM 652 CA LEU A 42 -3.700 -1.660 -6.076 1.00 0.00 C ATOM 653 C LEU A 42 -2.749 -2.352 -5.152 1.00 0.00 C ATOM 654 O LEU A 42 -1.612 -2.661 -5.537 1.00 0.00 O ATOM 655 CB LEU A 42 -3.888 -2.467 -7.356 1.00 0.00 C ATOM 656 CG LEU A 42 -4.485 -3.862 -7.195 1.00 0.00 C ATOM 657 CD1 LEU A 42 -5.851 -3.798 -6.534 1.00 0.00 C ATOM 658 CD2 LEU A 42 -4.570 -4.562 -8.543 1.00 0.00 C ATOM 0 H LEU A 42 -2.285 -0.467 -6.978 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.687 -1.545 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.528 -1.897 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.918 -2.564 -7.845 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.827 -4.441 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.253 -4.806 -6.432 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.757 -3.343 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.524 -3.199 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.998 -5.556 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.202 -3.981 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.571 -4.651 -8.970 1.00 0.00 H new ATOM 670 N VAL A 43 -3.159 -2.516 -3.942 1.00 0.00 N ATOM 671 CA VAL A 43 -2.313 -3.026 -2.909 1.00 0.00 C ATOM 672 C VAL A 43 -2.995 -4.208 -2.227 1.00 0.00 C ATOM 673 O VAL A 43 -4.211 -4.237 -2.089 1.00 0.00 O ATOM 674 CB VAL A 43 -2.004 -1.892 -1.850 1.00 0.00 C ATOM 675 CG1 VAL A 43 -1.441 -0.659 -2.527 1.00 0.00 C ATOM 676 CG2 VAL A 43 -3.238 -1.514 -1.032 1.00 0.00 C ATOM 0 H VAL A 43 -4.106 -2.297 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.373 -3.359 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.260 -2.298 -1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.237 0.106 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.516 -0.917 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.164 -0.277 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.976 -0.732 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.019 -1.150 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.600 -2.390 -0.494 1.00 0.00 H new ATOM 686 N HIS A 44 -2.238 -5.195 -1.859 1.00 0.00 N ATOM 687 CA HIS A 44 -2.792 -6.287 -1.080 1.00 0.00 C ATOM 688 C HIS A 44 -2.077 -6.379 0.208 1.00 0.00 C ATOM 689 O HIS A 44 -0.856 -6.158 0.268 1.00 0.00 O ATOM 690 CB HIS A 44 -2.888 -7.647 -1.804 1.00 0.00 C ATOM 691 CG HIS A 44 -1.632 -8.179 -2.396 1.00 0.00 C ATOM 692 ND1 HIS A 44 -1.440 -8.242 -3.742 1.00 0.00 N ATOM 693 CD2 HIS A 44 -0.524 -8.715 -1.829 1.00 0.00 C ATOM 694 CE1 HIS A 44 -0.270 -8.789 -3.993 1.00 0.00 C ATOM 695 NE2 HIS A 44 0.304 -9.082 -2.849 1.00 0.00 N ATOM 0 H HIS A 44 -1.245 -5.278 -2.076 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.839 -6.038 -0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.269 -8.383 -1.096 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.628 -7.557 -2.600 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.101 -7.916 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.333 -8.830 -0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 44 0.147 -8.967 -4.973 1.00 0.00 H new ATOM 704 N TYR A 45 -2.811 -6.678 1.216 1.00 0.00 N ATOM 705 CA TYR A 45 -2.334 -6.634 2.562 1.00 0.00 C ATOM 706 C TYR A 45 -1.735 -7.948 2.966 1.00 0.00 C ATOM 707 O TYR A 45 -2.102 -9.001 2.441 1.00 0.00 O ATOM 708 CB TYR A 45 -3.487 -6.215 3.484 1.00 0.00 C ATOM 709 CG TYR A 45 -4.148 -4.934 3.000 1.00 0.00 C ATOM 710 CD1 TYR A 45 -3.663 -3.699 3.360 1.00 0.00 C ATOM 711 CD2 TYR A 45 -5.227 -4.979 2.133 1.00 0.00 C ATOM 712 CE1 TYR A 45 -4.233 -2.543 2.868 1.00 0.00 C ATOM 713 CE2 TYR A 45 -5.810 -3.831 1.646 1.00 0.00 C ATOM 714 CZ TYR A 45 -5.311 -2.616 2.013 1.00 0.00 C ATOM 715 OH TYR A 45 -5.869 -1.462 1.517 1.00 0.00 O ATOM 0 H TYR A 45 -3.785 -6.968 1.133 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.536 -5.896 2.646 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.227 -7.014 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.111 -6.072 4.497 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.824 -3.633 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.621 -5.938 1.832 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.834 -1.581 3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.656 -3.892 0.978 1.00 0.00 H new ATOM 0 HH TYR A 45 -6.846 -1.538 1.532 1.00 0.00 H new ATOM 725 N TYR A 46 -0.788 -7.885 3.855 1.00 0.00 N ATOM 726 CA TYR A 46 -0.139 -9.064 4.331 1.00 0.00 C ATOM 727 C TYR A 46 -0.535 -9.384 5.753 1.00 0.00 C ATOM 728 O TYR A 46 -0.582 -8.498 6.632 1.00 0.00 O ATOM 729 CB TYR A 46 1.387 -9.046 4.095 1.00 0.00 C ATOM 730 CG TYR A 46 2.099 -7.736 4.375 1.00 0.00 C ATOM 731 CD1 TYR A 46 2.499 -7.381 5.651 1.00 0.00 C ATOM 732 CD2 TYR A 46 2.402 -6.873 3.336 1.00 0.00 C ATOM 733 CE1 TYR A 46 3.185 -6.202 5.879 1.00 0.00 C ATOM 734 CE2 TYR A 46 3.077 -5.696 3.556 1.00 0.00 C ATOM 735 CZ TYR A 46 3.467 -5.363 4.821 1.00 0.00 C ATOM 736 OH TYR A 46 4.154 -4.181 5.036 1.00 0.00 O ATOM 0 H TYR A 46 -0.447 -7.017 4.267 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.500 -9.896 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.838 -9.819 4.717 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.575 -9.322 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.272 -8.034 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.102 -7.130 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.498 -5.940 6.879 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.298 -5.036 2.730 1.00 0.00 H new ATOM 0 HH TYR A 46 3.766 -3.472 4.482 1.00 0.00 H new ATOM 746 N GLY A 47 -0.838 -10.634 5.961 1.00 0.00 N ATOM 747 CA GLY A 47 -1.351 -11.121 7.200 1.00 0.00 C ATOM 748 C GLY A 47 -2.114 -12.382 6.938 1.00 0.00 C ATOM 749 O GLY A 47 -1.579 -13.310 6.330 1.00 0.00 O ATOM 0 H GLY A 47 -0.730 -11.358 5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.536 -11.310 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.999 -10.375 7.660 1.00 0.00 H new ATOM 753 N TRP A 48 -3.356 -12.418 7.320 1.00 0.00 N ATOM 754 CA TRP A 48 -4.162 -13.585 7.079 1.00 0.00 C ATOM 755 C TRP A 48 -4.918 -13.461 5.761 1.00 0.00 C ATOM 756 O TRP A 48 -4.922 -14.393 4.934 1.00 0.00 O ATOM 757 CB TRP A 48 -5.110 -13.870 8.257 1.00 0.00 C ATOM 758 CG TRP A 48 -6.057 -15.015 8.009 1.00 0.00 C ATOM 759 CD1 TRP A 48 -7.411 -14.984 8.130 1.00 0.00 C ATOM 760 CD2 TRP A 48 -5.727 -16.344 7.551 1.00 0.00 C ATOM 761 NE1 TRP A 48 -7.940 -16.206 7.809 1.00 0.00 N ATOM 762 CE2 TRP A 48 -6.936 -17.053 7.441 1.00 0.00 C ATOM 763 CE3 TRP A 48 -4.532 -16.998 7.227 1.00 0.00 C ATOM 764 CZ2 TRP A 48 -6.988 -18.378 7.027 1.00 0.00 C ATOM 765 CZ3 TRP A 48 -4.587 -18.311 6.815 1.00 0.00 C ATOM 766 CH2 TRP A 48 -5.806 -18.989 6.715 1.00 0.00 C ATOM 0 H TRP A 48 -3.835 -11.656 7.799 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.494 -14.442 6.996 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -4.517 -14.087 9.145 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.689 -12.972 8.472 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -7.985 -14.122 8.435 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -8.931 -16.446 7.840 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.586 -16.483 7.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.928 -18.906 6.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.672 -18.827 6.564 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -5.814 -20.017 6.384 1.00 0.00 H new ATOM 777 N ASN A 49 -5.528 -12.327 5.537 1.00 0.00 N ATOM 778 CA ASN A 49 -6.290 -12.147 4.325 1.00 0.00 C ATOM 779 C ASN A 49 -5.424 -11.469 3.283 1.00 0.00 C ATOM 780 O ASN A 49 -5.316 -10.249 3.240 1.00 0.00 O ATOM 781 CB ASN A 49 -7.564 -11.328 4.570 1.00 0.00 C ATOM 782 CG ASN A 49 -8.538 -11.367 3.394 1.00 0.00 C ATOM 783 OD1 ASN A 49 -8.159 -11.572 2.234 1.00 0.00 O ATOM 784 ND2 ASN A 49 -9.797 -11.160 3.681 1.00 0.00 N ATOM 0 H ASN A 49 -5.515 -11.524 6.166 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.599 -13.129 3.967 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.065 -11.705 5.461 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.290 -10.293 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.497 -11.165 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.079 -10.994 4.647 1.00 0.00 H new ATOM 791 N VAL A 50 -4.772 -12.277 2.481 1.00 0.00 N ATOM 792 CA VAL A 50 -3.904 -11.785 1.418 1.00 0.00 C ATOM 793 C VAL A 50 -4.727 -11.588 0.126 1.00 0.00 C ATOM 794 O VAL A 50 -4.279 -10.973 -0.841 1.00 0.00 O ATOM 795 CB VAL A 50 -2.711 -12.774 1.178 1.00 0.00 C ATOM 796 CG1 VAL A 50 -1.706 -12.223 0.171 1.00 0.00 C ATOM 797 CG2 VAL A 50 -2.009 -13.091 2.490 1.00 0.00 C ATOM 0 H VAL A 50 -4.823 -13.294 2.540 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.484 -10.824 1.716 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.131 -13.690 0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.897 -12.940 0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.204 -12.052 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.299 -11.282 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.184 -13.779 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.623 -12.170 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.717 -13.551 3.179 1.00 0.00 H new ATOM 807 N ARG A 51 -5.964 -12.079 0.143 1.00 0.00 N ATOM 808 CA ARG A 51 -6.851 -11.972 -1.023 1.00 0.00 C ATOM 809 C ARG A 51 -7.519 -10.613 -1.044 1.00 0.00 C ATOM 810 O ARG A 51 -8.244 -10.266 -1.989 1.00 0.00 O ATOM 811 CB ARG A 51 -7.942 -13.072 -1.054 1.00 0.00 C ATOM 812 CG ARG A 51 -7.487 -14.500 -1.409 1.00 0.00 C ATOM 813 CD ARG A 51 -6.528 -15.096 -0.394 1.00 0.00 C ATOM 814 NE ARG A 51 -7.095 -15.143 0.968 1.00 0.00 N ATOM 815 CZ ARG A 51 -6.402 -15.467 2.064 1.00 0.00 C ATOM 816 NH1 ARG A 51 -5.120 -15.836 1.961 1.00 0.00 N ATOM 817 NH2 ARG A 51 -6.985 -15.434 3.257 1.00 0.00 N ATOM 0 H ARG A 51 -6.378 -12.554 0.945 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.223 -12.105 -1.904 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.420 -13.103 -0.075 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.705 -12.772 -1.772 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.363 -15.143 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.007 -14.488 -2.388 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.257 -16.105 -0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.609 -14.509 -0.380 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.082 -14.913 1.080 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.671 -15.870 1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.592 -16.083 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.964 -15.161 3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.453 -15.682 4.091 1.00 0.00 H new ATOM 831 N TYR A 52 -7.303 -9.855 0.004 1.00 0.00 N ATOM 832 CA TYR A 52 -7.845 -8.543 0.110 1.00 0.00 C ATOM 833 C TYR A 52 -6.925 -7.593 -0.654 1.00 0.00 C ATOM 834 O TYR A 52 -5.980 -7.027 -0.113 1.00 0.00 O ATOM 835 CB TYR A 52 -8.017 -8.148 1.591 1.00 0.00 C ATOM 836 CG TYR A 52 -8.941 -6.972 1.828 1.00 0.00 C ATOM 837 CD1 TYR A 52 -10.281 -7.051 1.491 1.00 0.00 C ATOM 838 CD2 TYR A 52 -8.487 -5.799 2.404 1.00 0.00 C ATOM 839 CE1 TYR A 52 -11.134 -5.998 1.717 1.00 0.00 C ATOM 840 CE2 TYR A 52 -9.336 -4.737 2.633 1.00 0.00 C ATOM 841 CZ TYR A 52 -10.659 -4.844 2.286 1.00 0.00 C ATOM 842 OH TYR A 52 -11.519 -3.783 2.496 1.00 0.00 O ATOM 0 H TYR A 52 -6.742 -10.142 0.806 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.841 -8.493 -0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -8.398 -9.009 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.037 -7.913 2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -10.663 -7.956 1.043 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.446 -5.713 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.177 -6.079 1.447 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.963 -3.828 3.082 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.524 -3.205 1.705 1.00 0.00 H new ATOM 852 N ASP A 53 -7.145 -7.569 -1.939 1.00 0.00 N ATOM 853 CA ASP A 53 -6.403 -6.767 -2.889 1.00 0.00 C ATOM 854 C ASP A 53 -7.308 -5.569 -3.182 1.00 0.00 C ATOM 855 O ASP A 53 -8.424 -5.737 -3.714 1.00 0.00 O ATOM 856 CB ASP A 53 -6.157 -7.663 -4.133 1.00 0.00 C ATOM 857 CG ASP A 53 -5.076 -7.208 -5.103 1.00 0.00 C ATOM 858 OD1 ASP A 53 -3.858 -7.347 -4.784 1.00 0.00 O ATOM 859 OD2 ASP A 53 -5.406 -6.860 -6.233 1.00 0.00 O ATOM 0 H ASP A 53 -7.876 -8.129 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.433 -6.410 -2.544 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.902 -8.664 -3.786 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.094 -7.745 -4.683 1.00 0.00 H new ATOM 864 N GLU A 54 -6.887 -4.402 -2.753 1.00 0.00 N ATOM 865 CA GLU A 54 -7.741 -3.215 -2.713 1.00 0.00 C ATOM 866 C GLU A 54 -7.063 -2.003 -3.347 1.00 0.00 C ATOM 867 O GLU A 54 -5.843 -1.955 -3.483 1.00 0.00 O ATOM 868 CB GLU A 54 -8.102 -2.965 -1.229 1.00 0.00 C ATOM 869 CG GLU A 54 -8.936 -1.734 -0.913 1.00 0.00 C ATOM 870 CD GLU A 54 -9.372 -1.706 0.532 1.00 0.00 C ATOM 871 OE1 GLU A 54 -8.575 -1.332 1.416 1.00 0.00 O ATOM 872 OE2 GLU A 54 -10.542 -2.063 0.801 1.00 0.00 O ATOM 0 H GLU A 54 -5.938 -4.238 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.645 -3.379 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.638 -3.840 -0.860 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.173 -2.898 -0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.358 -0.837 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.815 -1.715 -1.558 1.00 0.00 H new ATOM 879 N TRP A 55 -7.879 -1.047 -3.739 1.00 0.00 N ATOM 880 CA TRP A 55 -7.439 0.149 -4.395 1.00 0.00 C ATOM 881 C TRP A 55 -7.444 1.312 -3.447 1.00 0.00 C ATOM 882 O TRP A 55 -8.499 1.708 -2.933 1.00 0.00 O ATOM 883 CB TRP A 55 -8.352 0.462 -5.559 1.00 0.00 C ATOM 884 CG TRP A 55 -8.304 -0.558 -6.636 1.00 0.00 C ATOM 885 CD1 TRP A 55 -8.986 -1.740 -6.682 1.00 0.00 C ATOM 886 CD2 TRP A 55 -7.519 -0.493 -7.822 1.00 0.00 C ATOM 887 NE1 TRP A 55 -8.688 -2.401 -7.844 1.00 0.00 N ATOM 888 CE2 TRP A 55 -7.783 -1.655 -8.562 1.00 0.00 C ATOM 889 CE3 TRP A 55 -6.619 0.447 -8.332 1.00 0.00 C ATOM 890 CZ2 TRP A 55 -7.175 -1.908 -9.787 1.00 0.00 C ATOM 891 CZ3 TRP A 55 -6.016 0.196 -9.540 1.00 0.00 C ATOM 892 CH2 TRP A 55 -6.295 -0.970 -10.258 1.00 0.00 C ATOM 0 H TRP A 55 -8.889 -1.089 -3.603 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.422 -0.015 -4.751 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -9.376 0.548 -5.195 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.079 1.432 -5.975 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.659 -2.099 -5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -9.075 -3.300 -8.130 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.402 1.353 -7.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.388 -2.808 -10.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.314 0.912 -9.942 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.805 -1.135 -11.206 1.00 0.00 H new ATOM 903 N VAL A 56 -6.297 1.854 -3.224 1.00 0.00 N ATOM 904 CA VAL A 56 -6.136 2.992 -2.366 1.00 0.00 C ATOM 905 C VAL A 56 -5.497 4.108 -3.165 1.00 0.00 C ATOM 906 O VAL A 56 -4.973 3.873 -4.249 1.00 0.00 O ATOM 907 CB VAL A 56 -5.285 2.666 -1.096 1.00 0.00 C ATOM 908 CG1 VAL A 56 -5.926 1.538 -0.310 1.00 0.00 C ATOM 909 CG2 VAL A 56 -3.849 2.309 -1.461 1.00 0.00 C ATOM 0 H VAL A 56 -5.426 1.519 -3.636 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.118 3.297 -2.005 1.00 0.00 H new ATOM 0 HB VAL A 56 -5.256 3.561 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -5.323 1.321 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.928 1.834 -0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.987 0.648 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.287 2.088 -0.553 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.846 1.434 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.386 3.149 -1.979 1.00 0.00 H new ATOM 919 N LYS A 57 -5.542 5.291 -2.659 1.00 0.00 N ATOM 920 CA LYS A 57 -4.996 6.416 -3.362 1.00 0.00 C ATOM 921 C LYS A 57 -3.649 6.779 -2.725 1.00 0.00 C ATOM 922 O LYS A 57 -3.371 6.360 -1.597 1.00 0.00 O ATOM 923 CB LYS A 57 -5.984 7.566 -3.273 1.00 0.00 C ATOM 924 CG LYS A 57 -5.747 8.701 -4.243 1.00 0.00 C ATOM 925 CD LYS A 57 -6.752 9.803 -3.977 1.00 0.00 C ATOM 926 CE LYS A 57 -6.608 10.949 -4.940 1.00 0.00 C ATOM 927 NZ LYS A 57 -7.609 11.992 -4.683 1.00 0.00 N ATOM 0 H LYS A 57 -5.954 5.513 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.829 6.187 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.988 7.174 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.960 7.966 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.732 9.084 -4.132 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.843 8.345 -5.269 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.761 9.397 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.626 10.169 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.608 11.374 -4.856 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.714 10.584 -5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.484 12.769 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.563 11.591 -4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.490 12.356 -3.716 1.00 0.00 H new ATOM 941 N ALA A 58 -2.853 7.585 -3.415 1.00 0.00 N ATOM 942 CA ALA A 58 -1.496 7.940 -2.992 1.00 0.00 C ATOM 943 C ALA A 58 -1.456 8.628 -1.624 1.00 0.00 C ATOM 944 O ALA A 58 -0.545 8.399 -0.823 1.00 0.00 O ATOM 945 CB ALA A 58 -0.836 8.807 -4.048 1.00 0.00 C ATOM 0 H ALA A 58 -3.131 8.018 -4.296 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.940 7.009 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.173 9.067 -3.727 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.787 8.260 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.419 9.718 -4.187 1.00 0.00 H new ATOM 951 N ASP A 59 -2.460 9.440 -1.347 1.00 0.00 N ATOM 952 CA ASP A 59 -2.545 10.158 -0.055 1.00 0.00 C ATOM 953 C ASP A 59 -2.937 9.244 1.089 1.00 0.00 C ATOM 954 O ASP A 59 -2.927 9.642 2.242 1.00 0.00 O ATOM 955 CB ASP A 59 -3.500 11.363 -0.094 1.00 0.00 C ATOM 956 CG ASP A 59 -2.963 12.541 -0.866 1.00 0.00 C ATOM 957 OD1 ASP A 59 -1.891 13.064 -0.508 1.00 0.00 O ATOM 958 OD2 ASP A 59 -3.613 12.973 -1.859 1.00 0.00 O ATOM 0 H ASP A 59 -3.233 9.629 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.536 10.532 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.446 11.051 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.715 11.677 0.927 1.00 0.00 H new ATOM 963 N ARG A 60 -3.267 8.024 0.775 1.00 0.00 N ATOM 964 CA ARG A 60 -3.678 7.069 1.777 1.00 0.00 C ATOM 965 C ARG A 60 -2.580 6.064 2.064 1.00 0.00 C ATOM 966 O ARG A 60 -2.799 5.064 2.737 1.00 0.00 O ATOM 967 CB ARG A 60 -4.958 6.351 1.343 1.00 0.00 C ATOM 968 CG ARG A 60 -6.218 7.210 1.397 1.00 0.00 C ATOM 969 CD ARG A 60 -6.411 7.788 2.791 1.00 0.00 C ATOM 970 NE ARG A 60 -7.819 7.980 3.126 1.00 0.00 N ATOM 971 CZ ARG A 60 -8.427 9.165 3.316 1.00 0.00 C ATOM 972 NH1 ARG A 60 -7.736 10.301 3.270 1.00 0.00 N ATOM 973 NH2 ARG A 60 -9.722 9.207 3.587 1.00 0.00 N ATOM 0 H ARG A 60 -3.261 7.659 -0.178 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.879 7.618 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.827 5.986 0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -5.102 5.477 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -6.146 8.018 0.669 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.086 6.610 1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.954 7.122 3.523 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.891 8.743 2.860 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.392 7.142 3.225 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.732 10.281 3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.210 11.192 3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.258 8.342 3.652 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.184 10.105 3.731 1.00 0.00 H new ATOM 987 N ILE A 61 -1.403 6.337 1.576 1.00 0.00 N ATOM 988 CA ILE A 61 -0.305 5.442 1.744 1.00 0.00 C ATOM 989 C ILE A 61 0.821 6.126 2.503 1.00 0.00 C ATOM 990 O ILE A 61 1.112 7.310 2.272 1.00 0.00 O ATOM 991 CB ILE A 61 0.212 4.966 0.360 1.00 0.00 C ATOM 992 CG1 ILE A 61 -0.917 4.290 -0.413 1.00 0.00 C ATOM 993 CG2 ILE A 61 1.387 4.018 0.510 1.00 0.00 C ATOM 994 CD1 ILE A 61 -0.515 3.781 -1.765 1.00 0.00 C ATOM 0 H ILE A 61 -1.183 7.185 1.053 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.645 4.579 2.316 1.00 0.00 H new ATOM 0 HB ILE A 61 0.554 5.839 -0.195 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.299 3.458 0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.736 4.999 -0.533 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.727 3.702 -0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.200 4.526 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.079 3.145 1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.374 3.315 -2.248 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.161 4.611 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.282 3.046 -1.655 1.00 0.00 H new ATOM 1006 N ILE A 62 1.425 5.403 3.408 1.00 0.00 N ATOM 1007 CA ILE A 62 2.577 5.875 4.108 1.00 0.00 C ATOM 1008 C ILE A 62 3.730 5.080 3.568 1.00 0.00 C ATOM 1009 O ILE A 62 3.766 3.850 3.718 1.00 0.00 O ATOM 1010 CB ILE A 62 2.552 5.654 5.667 1.00 0.00 C ATOM 1011 CG1 ILE A 62 1.270 6.167 6.346 1.00 0.00 C ATOM 1012 CG2 ILE A 62 3.766 6.313 6.313 1.00 0.00 C ATOM 1013 CD1 ILE A 62 0.083 5.230 6.274 1.00 0.00 C ATOM 0 H ILE A 62 1.126 4.466 3.678 1.00 0.00 H new ATOM 0 HA ILE A 62 2.636 6.953 3.957 1.00 0.00 H new ATOM 0 HB ILE A 62 2.577 4.575 5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.489 6.370 7.394 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.991 7.117 5.889 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.737 6.153 7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.677 5.875 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.753 7.383 6.105 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.769 5.683 6.781 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.172 5.045 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.334 4.287 6.759 1.00 0.00 H new ATOM 1025 N TRP A 63 4.623 5.737 2.909 1.00 0.00 N ATOM 1026 CA TRP A 63 5.771 5.083 2.363 1.00 0.00 C ATOM 1027 C TRP A 63 6.830 4.964 3.443 1.00 0.00 C ATOM 1028 O TRP A 63 7.295 5.990 3.969 1.00 0.00 O ATOM 1029 CB TRP A 63 6.292 5.855 1.148 1.00 0.00 C ATOM 1030 CG TRP A 63 5.322 5.857 -0.003 1.00 0.00 C ATOM 1031 CD1 TRP A 63 4.294 6.730 -0.218 1.00 0.00 C ATOM 1032 CD2 TRP A 63 5.292 4.931 -1.090 1.00 0.00 C ATOM 1033 NE1 TRP A 63 3.632 6.400 -1.371 1.00 0.00 N ATOM 1034 CE2 TRP A 63 4.224 5.299 -1.925 1.00 0.00 C ATOM 1035 CE3 TRP A 63 6.067 3.826 -1.439 1.00 0.00 C ATOM 1036 CZ2 TRP A 63 3.911 4.598 -3.083 1.00 0.00 C ATOM 1037 CZ3 TRP A 63 5.755 3.129 -2.591 1.00 0.00 C ATOM 1038 CH2 TRP A 63 4.687 3.519 -3.400 1.00 0.00 C ATOM 0 H TRP A 63 4.581 6.741 2.732 1.00 0.00 H new ATOM 0 HA TRP A 63 5.504 4.082 2.023 1.00 0.00 H new ATOM 0 HB2 TRP A 63 6.504 6.884 1.440 1.00 0.00 H new ATOM 0 HB3 TRP A 63 7.235 5.416 0.822 1.00 0.00 H new ATOM 0 HD1 TRP A 63 4.040 7.559 0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.827 6.896 -1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 63 6.897 3.520 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 3.084 4.895 -3.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 6.347 2.269 -2.869 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.469 2.956 -4.296 1.00 0.00 H new ATOM 1049 N PRO A 64 7.183 3.724 3.854 1.00 0.00 N ATOM 1050 CA PRO A 64 8.180 3.510 4.888 1.00 0.00 C ATOM 1051 C PRO A 64 9.527 4.050 4.463 1.00 0.00 C ATOM 1052 O PRO A 64 10.121 3.608 3.455 1.00 0.00 O ATOM 1053 CB PRO A 64 8.237 1.983 5.051 1.00 0.00 C ATOM 1054 CG PRO A 64 6.963 1.497 4.464 1.00 0.00 C ATOM 1055 CD PRO A 64 6.638 2.450 3.356 1.00 0.00 C ATOM 0 HA PRO A 64 7.927 4.022 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.099 1.561 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.324 1.699 6.100 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.069 0.480 4.087 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.169 1.480 5.211 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.102 2.151 2.416 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.565 2.511 3.177 1.00 0.00 H new ATOM 1063 N LEU A 65 9.993 4.995 5.224 1.00 0.00 N ATOM 1064 CA LEU A 65 11.230 5.650 4.979 1.00 0.00 C ATOM 1065 C LEU A 65 11.628 6.287 6.280 1.00 0.00 C ATOM 1066 O LEU A 65 11.076 7.334 6.662 1.00 0.00 O ATOM 1067 CB LEU A 65 11.054 6.720 3.864 1.00 0.00 C ATOM 1068 CG LEU A 65 12.317 7.224 3.117 1.00 0.00 C ATOM 1069 CD1 LEU A 65 13.310 7.916 4.035 1.00 0.00 C ATOM 1070 CD2 LEU A 65 12.981 6.080 2.370 1.00 0.00 C ATOM 0 H LEU A 65 9.506 5.336 6.053 1.00 0.00 H new ATOM 0 HA LEU A 65 11.997 4.955 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.369 6.314 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.565 7.586 4.310 1.00 0.00 H new ATOM 0 HG LEU A 65 11.983 7.975 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.172 8.246 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.834 8.779 4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.637 7.220 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.866 6.449 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.273 5.304 3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.282 5.665 1.645 1.00 0.00 H new ATOM 1082 N ASP A 66 12.506 5.601 6.985 1.00 0.00 N ATOM 1083 CA ASP A 66 13.051 6.019 8.277 1.00 0.00 C ATOM 1084 C ASP A 66 11.993 6.098 9.384 1.00 0.00 C ATOM 1085 O ASP A 66 11.846 5.158 10.170 1.00 0.00 O ATOM 1086 CB ASP A 66 13.851 7.326 8.165 1.00 0.00 C ATOM 1087 CG ASP A 66 14.434 7.767 9.489 1.00 0.00 C ATOM 1088 OD1 ASP A 66 15.321 7.062 10.021 1.00 0.00 O ATOM 1089 OD2 ASP A 66 14.066 8.844 9.991 1.00 0.00 O ATOM 0 H ASP A 66 12.877 4.705 6.669 1.00 0.00 H new ATOM 0 HA ASP A 66 13.743 5.232 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.657 7.193 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.203 8.112 7.778 1.00 0.00 H new ATOM 1094 N LYS A 67 11.224 7.171 9.380 1.00 0.00 N ATOM 1095 CA LYS A 67 10.227 7.468 10.387 1.00 0.00 C ATOM 1096 C LYS A 67 10.784 7.853 11.724 1.00 0.00 C ATOM 1097 O LYS A 67 11.180 7.002 12.537 1.00 0.00 O ATOM 1098 CB LYS A 67 9.150 6.420 10.548 1.00 0.00 C ATOM 1099 CG LYS A 67 8.105 6.470 9.495 1.00 0.00 C ATOM 1100 CD LYS A 67 6.947 5.659 9.961 1.00 0.00 C ATOM 1101 CE LYS A 67 5.773 5.698 9.028 1.00 0.00 C ATOM 1102 NZ LYS A 67 4.632 4.947 9.592 1.00 0.00 N ATOM 0 H LYS A 67 11.280 7.882 8.651 1.00 0.00 H new ATOM 0 HA LYS A 67 9.747 8.353 9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.612 5.433 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.677 6.544 11.522 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.800 7.500 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.492 6.078 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.266 4.624 10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.634 6.018 10.941 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.480 6.732 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.054 5.273 8.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.310 4.237 8.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.929 4.471 10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.854 5.604 9.802 1.00 0.00 H new ATOM 1116 N GLY A 68 10.835 9.137 11.943 1.00 0.00 N ATOM 1117 CA GLY A 68 11.181 9.645 13.229 1.00 0.00 C ATOM 1118 C GLY A 68 9.920 9.953 14.001 1.00 0.00 C ATOM 1119 O GLY A 68 9.912 10.027 15.232 1.00 0.00 O ATOM 0 H GLY A 68 10.639 9.849 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.783 8.916 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.787 10.545 13.126 1.00 0.00 H new ATOM 1123 N LEU A 69 8.835 10.095 13.249 1.00 0.00 N ATOM 1124 CA LEU A 69 7.497 10.370 13.788 1.00 0.00 C ATOM 1125 C LEU A 69 6.927 9.103 14.419 1.00 0.00 C ATOM 1126 O LEU A 69 5.942 9.134 15.148 1.00 0.00 O ATOM 1127 CB LEU A 69 6.575 10.793 12.640 1.00 0.00 C ATOM 1128 CG LEU A 69 7.032 11.980 11.791 1.00 0.00 C ATOM 1129 CD1 LEU A 69 6.114 12.143 10.595 1.00 0.00 C ATOM 1130 CD2 LEU A 69 7.053 13.258 12.618 1.00 0.00 C ATOM 0 H LEU A 69 8.854 10.022 12.232 1.00 0.00 H new ATOM 0 HA LEU A 69 7.565 11.160 14.536 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.438 9.936 11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.598 11.031 13.059 1.00 0.00 H new ATOM 0 HG LEU A 69 8.045 11.786 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.445 12.990 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.141 11.237 9.990 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.095 12.319 10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.381 14.090 11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.052 13.462 12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.741 13.139 13.455 1.00 0.00 H new ATOM 1142 N GLU A 70 7.564 8.014 14.118 1.00 0.00 N ATOM 1143 CA GLU A 70 7.179 6.712 14.554 1.00 0.00 C ATOM 1144 C GLU A 70 8.516 5.990 14.761 1.00 0.00 C ATOM 1145 O GLU A 70 9.505 6.660 15.060 1.00 0.00 O ATOM 1146 CB GLU A 70 6.349 6.067 13.444 1.00 0.00 C ATOM 1147 CG GLU A 70 5.389 4.990 13.907 1.00 0.00 C ATOM 1148 CD GLU A 70 5.610 3.697 13.198 1.00 0.00 C ATOM 1149 OE1 GLU A 70 5.279 3.587 11.995 1.00 0.00 O ATOM 1150 OE2 GLU A 70 6.150 2.777 13.814 1.00 0.00 O ATOM 0 H GLU A 70 8.402 8.011 13.537 1.00 0.00 H new ATOM 0 HA GLU A 70 6.574 6.691 15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.780 6.846 12.937 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.027 5.636 12.707 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.505 4.839 14.980 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.364 5.323 13.741 1.00 0.00 H new ATOM 1157 N HIS A 71 8.598 4.689 14.599 1.00 0.00 N ATOM 1158 CA HIS A 71 9.877 4.048 14.817 1.00 0.00 C ATOM 1159 C HIS A 71 10.135 3.011 13.713 1.00 0.00 C ATOM 1160 O HIS A 71 9.185 2.469 13.156 1.00 0.00 O ATOM 1161 CB HIS A 71 9.909 3.423 16.223 1.00 0.00 C ATOM 1162 CG HIS A 71 11.260 3.462 16.883 1.00 0.00 C ATOM 1163 ND1 HIS A 71 11.917 2.348 17.318 1.00 0.00 N ATOM 1164 CD2 HIS A 71 12.044 4.509 17.229 1.00 0.00 C ATOM 1165 CE1 HIS A 71 13.040 2.692 17.901 1.00 0.00 C ATOM 1166 NE2 HIS A 71 13.145 3.998 17.863 1.00 0.00 N ATOM 0 H HIS A 71 7.830 4.074 14.329 1.00 0.00 H new ATOM 0 HA HIS A 71 10.679 4.784 14.766 1.00 0.00 H new ATOM 0 HB2 HIS A 71 9.192 3.945 16.857 1.00 0.00 H new ATOM 0 HB3 HIS A 71 9.580 2.386 16.155 1.00 0.00 H new ATOM 0 HD1 HIS A 71 11.584 1.390 17.206 1.00 0.00 H new ATOM 0 HD2 HIS A 71 11.840 5.553 17.040 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.757 2.014 18.339 1.00 0.00 H new ATOM 1175 N HIS A 72 11.419 2.796 13.355 1.00 0.00 N ATOM 1176 CA HIS A 72 11.810 1.817 12.294 1.00 0.00 C ATOM 1177 C HIS A 72 11.223 0.435 12.608 1.00 0.00 C ATOM 1178 O HIS A 72 10.493 -0.155 11.808 1.00 0.00 O ATOM 1179 CB HIS A 72 13.358 1.657 12.207 1.00 0.00 C ATOM 1180 CG HIS A 72 14.167 2.879 11.825 1.00 0.00 C ATOM 1181 ND1 HIS A 72 15.043 3.496 12.689 1.00 0.00 N ATOM 1182 CD2 HIS A 72 14.293 3.540 10.653 1.00 0.00 C ATOM 1183 CE1 HIS A 72 15.660 4.473 12.073 1.00 0.00 C ATOM 1184 NE2 HIS A 72 15.231 4.529 10.842 1.00 0.00 N ATOM 0 H HIS A 72 12.209 3.282 13.779 1.00 0.00 H new ATOM 0 HA HIS A 72 11.426 2.201 11.349 1.00 0.00 H new ATOM 0 HB2 HIS A 72 13.715 1.307 13.176 1.00 0.00 H new ATOM 0 HB3 HIS A 72 13.575 0.871 11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 72 13.757 3.331 9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 72 16.401 5.125 12.511 1.00 0.00 H new ATOM 0 HE2 HIS A 72 15.540 5.197 10.135 1.00 0.00 H new ATOM 1193 N HIS A 73 11.528 -0.032 13.790 1.00 0.00 N ATOM 1194 CA HIS A 73 11.074 -1.304 14.347 1.00 0.00 C ATOM 1195 C HIS A 73 11.107 -1.107 15.824 1.00 0.00 C ATOM 1196 O HIS A 73 11.193 0.039 16.256 1.00 0.00 O ATOM 1197 CB HIS A 73 11.996 -2.487 13.958 1.00 0.00 C ATOM 1198 CG HIS A 73 11.941 -2.880 12.518 1.00 0.00 C ATOM 1199 ND1 HIS A 73 13.014 -2.786 11.683 1.00 0.00 N ATOM 1200 CD2 HIS A 73 10.928 -3.372 11.771 1.00 0.00 C ATOM 1201 CE1 HIS A 73 12.678 -3.189 10.488 1.00 0.00 C ATOM 1202 NE2 HIS A 73 11.417 -3.553 10.510 1.00 0.00 N ATOM 0 H HIS A 73 12.130 0.482 14.433 1.00 0.00 H new ATOM 0 HA HIS A 73 10.086 -1.559 13.965 1.00 0.00 H new ATOM 0 HB2 HIS A 73 13.024 -2.225 14.209 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.729 -3.352 14.566 1.00 0.00 H new ATOM 0 HD1 HIS A 73 13.939 -2.451 11.951 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.923 -3.582 12.108 1.00 0.00 H new ATOM 0 HE1 HIS A 73 13.328 -3.218 9.626 1.00 0.00 H new ATOM 1211 N HIS A 74 11.069 -2.161 16.611 1.00 0.00 N ATOM 1212 CA HIS A 74 11.124 -1.978 18.053 1.00 0.00 C ATOM 1213 C HIS A 74 12.497 -1.402 18.474 1.00 0.00 C ATOM 1214 O HIS A 74 12.583 -0.550 19.349 1.00 0.00 O ATOM 1215 CB HIS A 74 10.784 -3.263 18.809 1.00 0.00 C ATOM 1216 CG HIS A 74 10.647 -3.052 20.290 1.00 0.00 C ATOM 1217 ND1 HIS A 74 11.457 -3.643 21.227 1.00 0.00 N ATOM 1218 CD2 HIS A 74 9.768 -2.299 20.982 1.00 0.00 C ATOM 1219 CE1 HIS A 74 11.078 -3.257 22.430 1.00 0.00 C ATOM 1220 NE2 HIS A 74 10.057 -2.442 22.303 1.00 0.00 N ATOM 0 H HIS A 74 11.002 -3.128 16.294 1.00 0.00 H new ATOM 0 HA HIS A 74 10.358 -1.253 18.328 1.00 0.00 H new ATOM 0 HB2 HIS A 74 9.853 -3.673 18.418 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.561 -4.004 18.623 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.978 -1.693 20.563 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.531 -3.560 23.362 1.00 0.00 H new ATOM 0 HE2 HIS A 74 9.561 -1.989 23.071 1.00 0.00 H new ATOM 1229 N HIS A 75 13.550 -1.871 17.845 1.00 0.00 N ATOM 1230 CA HIS A 75 14.886 -1.320 18.047 1.00 0.00 C ATOM 1231 C HIS A 75 15.455 -0.865 16.727 1.00 0.00 C ATOM 1232 O HIS A 75 15.436 0.329 16.400 1.00 0.00 O ATOM 1233 CB HIS A 75 15.857 -2.322 18.706 1.00 0.00 C ATOM 1234 CG HIS A 75 15.732 -2.469 20.189 1.00 0.00 C ATOM 1235 ND1 HIS A 75 16.796 -2.775 20.997 1.00 0.00 N ATOM 1236 CD2 HIS A 75 14.671 -2.363 21.007 1.00 0.00 C ATOM 1237 CE1 HIS A 75 16.394 -2.850 22.239 1.00 0.00 C ATOM 1238 NE2 HIS A 75 15.105 -2.601 22.276 1.00 0.00 N ATOM 0 H HIS A 75 13.513 -2.643 17.179 1.00 0.00 H new ATOM 0 HA HIS A 75 14.780 -0.477 18.729 1.00 0.00 H new ATOM 0 HB2 HIS A 75 15.706 -3.300 18.249 1.00 0.00 H new ATOM 0 HB3 HIS A 75 16.877 -2.016 18.475 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.658 -2.131 20.712 1.00 0.00 H new ATOM 0 HE1 HIS A 75 17.017 -3.078 23.091 1.00 0.00 H new ATOM 0 HE2 HIS A 75 14.525 -2.588 23.115 1.00 0.00 H new ATOM 1247 N HIS A 76 15.895 -1.813 15.952 1.00 0.00 N ATOM 1248 CA HIS A 76 16.512 -1.561 14.688 1.00 0.00 C ATOM 1249 C HIS A 76 16.029 -2.604 13.730 1.00 0.00 C ATOM 1250 O HIS A 76 15.261 -2.282 12.843 1.00 0.00 O ATOM 1251 CB HIS A 76 18.039 -1.625 14.812 1.00 0.00 C ATOM 1252 CG HIS A 76 18.759 -1.299 13.544 1.00 0.00 C ATOM 1253 ND1 HIS A 76 19.260 -2.250 12.691 1.00 0.00 N ATOM 1254 CD2 HIS A 76 19.052 -0.111 12.987 1.00 0.00 C ATOM 1255 CE1 HIS A 76 19.830 -1.661 11.668 1.00 0.00 C ATOM 1256 NE2 HIS A 76 19.718 -0.359 11.822 1.00 0.00 N ATOM 1257 OXT HIS A 76 16.358 -3.787 13.930 1.00 0.00 O ATOM 0 H HIS A 76 15.832 -2.803 16.189 1.00 0.00 H new ATOM 0 HA HIS A 76 16.249 -0.564 14.334 1.00 0.00 H new ATOM 0 HB2 HIS A 76 18.361 -0.933 15.590 1.00 0.00 H new ATOM 0 HB3 HIS A 76 18.327 -2.625 15.136 1.00 0.00 H new ATOM 0 HD2 HIS A 76 18.806 0.861 13.388 1.00 0.00 H new ATOM 0 HE1 HIS A 76 20.310 -2.160 10.839 1.00 0.00 H new ATOM 0 HE2 HIS A 76 20.071 0.348 11.177 1.00 0.00 H new TER 1266 HIS A 76