USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 93:sc= 0.795 USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= -0.881 F(o=-0.81,f=-0.086) USER MOD Set 2.1: A 8 THR OG1 : rot 26:sc= 0.766 USER MOD Set 2.2: A 49 LYS NZ :NH3+ 149:sc= 0.407 (180deg=-1.97) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0767) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 52:sc= 0.0829 USER MOD Single : A 27 HIS : no HE2:sc= 0.502 K(o=0.5,f=-3.1!) USER MOD Single : A 38 THR OG1 : rot 145:sc= -0.808! USER MOD Single : A 43 CYS SG : rot 108:sc= -2.18! USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 26:sc= 0.78 USER MOD Single : A 48 CYS SG : rot 2:sc= 0.0882 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= 0.319 (180deg=-0.22) USER MOD Single : A 55 SER OG : rot 101:sc= 0.415 USER MOD Single : A 56 LYS NZ :NH3+ 170:sc= 0.00554 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.012) USER MOD Single : A 63 HIS : no HD1:sc= 1.11 K(o=1.1,f=-3.5!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.042) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 67 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.546 16.076 -17.136 1.00 0.00 N ATOM 2 CA MET A 1 -10.118 16.334 -16.802 1.00 0.00 C ATOM 3 C MET A 1 -9.837 16.079 -15.310 1.00 0.00 C ATOM 4 O MET A 1 -10.614 16.482 -14.443 1.00 0.00 O ATOM 5 CB MET A 1 -9.739 17.780 -17.155 1.00 0.00 C ATOM 6 CG MET A 1 -9.925 18.127 -18.625 1.00 0.00 C ATOM 7 SD MET A 1 -9.010 17.022 -19.717 1.00 0.00 S ATOM 8 CE MET A 1 -9.396 17.743 -21.311 1.00 0.00 C ATOM 0 H1 MET A 1 -11.676 16.124 -18.167 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.817 15.131 -16.797 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.145 16.793 -16.678 1.00 0.00 H new ATOM 0 HA MET A 1 -9.512 15.645 -17.391 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.341 18.460 -16.553 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.698 17.949 -16.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.985 18.083 -18.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.600 19.153 -18.797 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.903 17.172 -22.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.474 17.721 -21.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.046 18.775 -21.338 1.00 0.00 H new ATOM 20 N THR A 2 -8.723 15.410 -15.022 1.00 0.00 N ATOM 21 CA THR A 2 -8.309 15.146 -13.636 1.00 0.00 C ATOM 22 C THR A 2 -7.798 16.412 -12.940 1.00 0.00 C ATOM 23 O THR A 2 -7.438 17.396 -13.593 1.00 0.00 O ATOM 24 CB THR A 2 -7.199 14.064 -13.565 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.150 14.363 -14.499 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.760 12.674 -13.847 1.00 0.00 C ATOM 0 H THR A 2 -8.087 15.038 -15.727 1.00 0.00 H new ATOM 0 HA THR A 2 -9.201 14.788 -13.122 1.00 0.00 H new ATOM 0 HB THR A 2 -6.794 14.071 -12.553 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.456 13.674 -14.443 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.957 11.939 -13.790 1.00 0.00 H new ATOM 0 HG22 THR A 2 -8.525 12.434 -13.109 1.00 0.00 H new ATOM 0 HG23 THR A 2 -8.199 12.654 -14.844 1.00 0.00 H new ATOM 34 N ILE A 3 -7.763 16.377 -11.608 1.00 0.00 N ATOM 35 CA ILE A 3 -7.239 17.494 -10.807 1.00 0.00 C ATOM 36 C ILE A 3 -5.704 17.579 -10.928 1.00 0.00 C ATOM 37 O ILE A 3 -5.075 18.528 -10.464 1.00 0.00 O ATOM 38 CB ILE A 3 -7.641 17.336 -9.313 1.00 0.00 C ATOM 39 CG1 ILE A 3 -9.160 17.115 -9.193 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.215 18.559 -8.496 1.00 0.00 C ATOM 41 CD1 ILE A 3 -9.642 16.911 -7.770 1.00 0.00 C ATOM 0 H ILE A 3 -8.092 15.586 -11.055 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.674 18.416 -11.193 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.123 16.465 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.677 17.974 -9.621 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -9.439 16.246 -9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.509 18.422 -7.455 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.133 18.677 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -7.700 19.450 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.722 16.762 -7.769 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.155 16.035 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -9.397 17.790 -7.173 1.00 0.00 H new ATOM 53 N GLN A 4 -5.122 16.554 -11.557 1.00 0.00 N ATOM 54 CA GLN A 4 -3.677 16.491 -11.844 1.00 0.00 C ATOM 55 C GLN A 4 -2.824 16.281 -10.578 1.00 0.00 C ATOM 56 O GLN A 4 -1.595 16.380 -10.626 1.00 0.00 O ATOM 57 CB GLN A 4 -3.200 17.752 -12.588 1.00 0.00 C ATOM 58 CG GLN A 4 -3.883 17.985 -13.935 1.00 0.00 C ATOM 59 CD GLN A 4 -3.353 19.209 -14.668 1.00 0.00 C ATOM 60 OE1 GLN A 4 -2.933 20.218 -13.929 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 -3.328 19.254 -15.894 1.00 0.00 N flip ATOM 0 H GLN A 4 -5.638 15.738 -11.885 1.00 0.00 H new ATOM 0 HA GLN A 4 -3.537 15.620 -12.484 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -3.371 18.621 -11.952 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.124 17.680 -12.747 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.745 17.105 -14.563 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -4.955 18.099 -13.777 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.659 18.459 -16.440 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.976 20.087 -16.367 1.00 0.00 H new ATOM 70 N ALA A 5 -3.470 15.980 -9.453 1.00 0.00 N ATOM 71 CA ALA A 5 -2.754 15.718 -8.196 1.00 0.00 C ATOM 72 C ALA A 5 -3.186 14.382 -7.565 1.00 0.00 C ATOM 73 O ALA A 5 -3.947 14.354 -6.591 1.00 0.00 O ATOM 74 CB ALA A 5 -2.959 16.873 -7.219 1.00 0.00 C ATOM 0 H ALA A 5 -4.485 15.910 -9.381 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.691 15.639 -8.426 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.423 16.665 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.578 17.794 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.022 16.985 -7.006 1.00 0.00 H new ATOM 80 N PRO A 6 -2.735 13.247 -8.138 1.00 0.00 N ATOM 81 CA PRO A 6 -3.026 11.916 -7.619 1.00 0.00 C ATOM 82 C PRO A 6 -1.903 11.361 -6.719 1.00 0.00 C ATOM 83 O PRO A 6 -0.926 10.784 -7.206 1.00 0.00 O ATOM 84 CB PRO A 6 -3.150 11.099 -8.909 1.00 0.00 C ATOM 85 CG PRO A 6 -2.211 11.757 -9.884 1.00 0.00 C ATOM 86 CD PRO A 6 -1.917 13.155 -9.361 1.00 0.00 C ATOM 0 HA PRO A 6 -3.908 11.895 -6.979 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.878 10.057 -8.743 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -4.174 11.106 -9.283 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.290 11.181 -9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.660 11.805 -10.876 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -0.857 13.288 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.193 13.921 -10.086 1.00 0.00 H new ATOM 94 N GLU A 7 -2.039 11.548 -5.408 1.00 0.00 N ATOM 95 CA GLU A 7 -1.055 11.019 -4.450 1.00 0.00 C ATOM 96 C GLU A 7 -1.340 9.558 -4.088 1.00 0.00 C ATOM 97 O GLU A 7 -0.688 8.971 -3.230 1.00 0.00 O ATOM 98 CB GLU A 7 -0.991 11.902 -3.188 1.00 0.00 C ATOM 99 CG GLU A 7 -2.351 12.258 -2.580 1.00 0.00 C ATOM 100 CD GLU A 7 -3.094 11.067 -1.988 1.00 0.00 C ATOM 101 OE1 GLU A 7 -2.790 10.677 -0.842 1.00 0.00 O ATOM 102 OE2 GLU A 7 -3.994 10.522 -2.664 1.00 0.00 O ATOM 0 H GLU A 7 -2.813 12.057 -4.981 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.079 11.045 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.395 11.389 -2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.467 12.825 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.205 13.006 -1.801 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.973 12.716 -3.349 1.00 0.00 H new ATOM 109 N THR A 8 -2.315 8.987 -4.768 1.00 0.00 N ATOM 110 CA THR A 8 -2.689 7.581 -4.582 1.00 0.00 C ATOM 111 C THR A 8 -1.889 6.680 -5.530 1.00 0.00 C ATOM 112 O THR A 8 -2.078 6.708 -6.748 1.00 0.00 O ATOM 113 CB THR A 8 -4.210 7.374 -4.810 1.00 0.00 C ATOM 114 OG1 THR A 8 -4.954 8.092 -3.812 1.00 0.00 O ATOM 115 CG2 THR A 8 -4.593 5.896 -4.763 1.00 0.00 C ATOM 0 H THR A 8 -2.875 9.476 -5.466 1.00 0.00 H new ATOM 0 HA THR A 8 -2.455 7.307 -3.553 1.00 0.00 H new ATOM 0 HB THR A 8 -4.451 7.755 -5.803 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.422 8.849 -3.489 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.666 5.793 -4.927 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.053 5.355 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.334 5.484 -3.788 1.00 0.00 H new ATOM 123 N LYS A 9 -0.996 5.879 -4.959 1.00 0.00 N ATOM 124 CA LYS A 9 -0.048 5.077 -5.738 1.00 0.00 C ATOM 125 C LYS A 9 -0.518 3.618 -5.846 1.00 0.00 C ATOM 126 O LYS A 9 -0.494 2.881 -4.863 1.00 0.00 O ATOM 127 CB LYS A 9 1.335 5.134 -5.067 1.00 0.00 C ATOM 128 CG LYS A 9 2.485 4.630 -5.938 1.00 0.00 C ATOM 129 CD LYS A 9 2.762 5.569 -7.112 1.00 0.00 C ATOM 130 CE LYS A 9 4.092 5.254 -7.791 1.00 0.00 C ATOM 131 NZ LYS A 9 4.398 6.217 -8.884 1.00 0.00 N ATOM 0 H LYS A 9 -0.906 5.765 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 9 0.012 5.487 -6.746 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.541 6.164 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.305 4.544 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.385 4.532 -5.331 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.246 3.636 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.955 5.488 -7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.770 6.600 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.892 5.278 -7.051 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.062 4.242 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.309 5.969 -9.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.648 6.176 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.452 7.180 -8.494 1.00 0.00 H new ATOM 145 N ILE A 10 -0.943 3.209 -7.036 1.00 0.00 N ATOM 146 CA ILE A 10 -1.405 1.834 -7.263 1.00 0.00 C ATOM 147 C ILE A 10 -0.207 0.879 -7.422 1.00 0.00 C ATOM 148 O ILE A 10 0.355 0.735 -8.513 1.00 0.00 O ATOM 149 CB ILE A 10 -2.319 1.744 -8.513 1.00 0.00 C ATOM 150 CG1 ILE A 10 -3.484 2.745 -8.399 1.00 0.00 C ATOM 151 CG2 ILE A 10 -2.845 0.318 -8.702 1.00 0.00 C ATOM 152 CD1 ILE A 10 -4.381 2.788 -9.622 1.00 0.00 C ATOM 0 H ILE A 10 -0.979 3.806 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.987 1.535 -6.391 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.727 2.003 -9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.087 2.488 -7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.078 3.741 -8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.483 0.280 -9.585 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.006 -0.365 -8.831 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.421 0.023 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.177 3.516 -9.464 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.794 3.076 -10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.818 1.803 -9.788 1.00 0.00 H new ATOM 164 N VAL A 11 0.195 0.253 -6.317 1.00 0.00 N ATOM 165 CA VAL A 11 1.377 -0.616 -6.291 1.00 0.00 C ATOM 166 C VAL A 11 0.992 -2.103 -6.426 1.00 0.00 C ATOM 167 O VAL A 11 -0.134 -2.501 -6.116 1.00 0.00 O ATOM 168 CB VAL A 11 2.190 -0.420 -4.980 1.00 0.00 C ATOM 169 CG1 VAL A 11 3.601 -0.995 -5.118 1.00 0.00 C ATOM 170 CG2 VAL A 11 2.245 1.057 -4.591 1.00 0.00 C ATOM 0 H VAL A 11 -0.283 0.331 -5.419 1.00 0.00 H new ATOM 0 HA VAL A 11 1.993 -0.331 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 11 1.680 -0.964 -4.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.148 -0.845 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.540 -2.062 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.122 -0.489 -5.931 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.819 1.170 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.723 1.626 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.233 1.430 -4.435 1.00 0.00 H new ATOM 180 N ASP A 12 1.940 -2.918 -6.886 1.00 0.00 N ATOM 181 CA ASP A 12 1.715 -4.356 -7.090 1.00 0.00 C ATOM 182 C ASP A 12 2.206 -5.194 -5.885 1.00 0.00 C ATOM 183 O ASP A 12 2.008 -6.409 -5.834 1.00 0.00 O ATOM 184 CB ASP A 12 2.428 -4.789 -8.383 1.00 0.00 C ATOM 185 CG ASP A 12 2.223 -6.256 -8.722 1.00 0.00 C ATOM 186 OD1 ASP A 12 1.073 -6.648 -9.016 1.00 0.00 O ATOM 187 OD2 ASP A 12 3.211 -7.021 -8.709 1.00 0.00 O ATOM 0 H ASP A 12 2.881 -2.607 -7.128 1.00 0.00 H new ATOM 0 HA ASP A 12 0.643 -4.535 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.067 -4.178 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.496 -4.592 -8.284 1.00 0.00 H new ATOM 192 N LYS A 13 2.824 -4.536 -4.906 1.00 0.00 N ATOM 193 CA LYS A 13 3.398 -5.228 -3.742 1.00 0.00 C ATOM 194 C LYS A 13 3.094 -4.478 -2.438 1.00 0.00 C ATOM 195 O LYS A 13 2.908 -3.263 -2.442 1.00 0.00 O ATOM 196 CB LYS A 13 4.920 -5.362 -3.909 1.00 0.00 C ATOM 197 CG LYS A 13 5.345 -6.199 -5.114 1.00 0.00 C ATOM 198 CD LYS A 13 6.859 -6.205 -5.305 1.00 0.00 C ATOM 199 CE LYS A 13 7.410 -4.807 -5.569 1.00 0.00 C ATOM 200 NZ LYS A 13 8.876 -4.821 -5.799 1.00 0.00 N ATOM 0 H LYS A 13 2.943 -3.523 -4.891 1.00 0.00 H new ATOM 0 HA LYS A 13 2.942 -6.217 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.353 -4.366 -4.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.336 -5.808 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.992 -7.222 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.868 -5.808 -6.013 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.334 -6.620 -4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.116 -6.859 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.911 -4.379 -6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.182 -4.162 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.209 -3.852 -5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.355 -5.205 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.092 -5.416 -6.624 1.00 0.00 H new ATOM 214 N SER A 14 3.048 -5.210 -1.325 1.00 0.00 N ATOM 215 CA SER A 14 2.821 -4.605 -0.003 1.00 0.00 C ATOM 216 C SER A 14 4.103 -3.970 0.545 1.00 0.00 C ATOM 217 O SER A 14 4.072 -2.899 1.155 1.00 0.00 O ATOM 218 CB SER A 14 2.322 -5.658 0.989 1.00 0.00 C ATOM 219 OG SER A 14 3.249 -6.723 1.124 1.00 0.00 O ATOM 0 H SER A 14 3.164 -6.223 -1.308 1.00 0.00 H new ATOM 0 HA SER A 14 2.066 -3.828 -0.125 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.155 -5.194 1.961 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.362 -6.050 0.654 1.00 0.00 H new ATOM 0 HG SER A 14 3.849 -6.541 1.877 1.00 0.00 H new ATOM 225 N ARG A 15 5.225 -4.650 0.338 1.00 0.00 N ATOM 226 CA ARG A 15 6.540 -4.135 0.732 1.00 0.00 C ATOM 227 C ARG A 15 7.013 -3.037 -0.235 1.00 0.00 C ATOM 228 O ARG A 15 7.589 -3.321 -1.292 1.00 0.00 O ATOM 229 CB ARG A 15 7.557 -5.284 0.782 1.00 0.00 C ATOM 230 CG ARG A 15 7.385 -6.202 1.991 1.00 0.00 C ATOM 231 CD ARG A 15 8.121 -7.526 1.813 1.00 0.00 C ATOM 232 NE ARG A 15 7.409 -8.426 0.908 1.00 0.00 N ATOM 233 CZ ARG A 15 7.795 -9.641 0.629 1.00 0.00 C ATOM 234 NH1 ARG A 15 8.927 -10.093 1.073 1.00 0.00 N ATOM 235 NH2 ARG A 15 7.043 -10.400 -0.100 1.00 0.00 N ATOM 0 H ARG A 15 5.254 -5.569 -0.105 1.00 0.00 H new ATOM 0 HA ARG A 15 6.456 -3.693 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.468 -5.876 -0.129 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.564 -4.866 0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.756 -5.699 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.324 -6.396 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.121 -7.336 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.242 -8.008 2.783 1.00 0.00 H new ATOM 0 HE ARG A 15 6.556 -8.083 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.525 -9.497 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 15 9.219 -11.044 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.153 -10.048 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.340 -11.350 -0.321 1.00 0.00 H new ATOM 249 N VAL A 16 6.749 -1.785 0.133 1.00 0.00 N ATOM 250 CA VAL A 16 7.092 -0.635 -0.708 1.00 0.00 C ATOM 251 C VAL A 16 8.215 0.202 -0.079 1.00 0.00 C ATOM 252 O VAL A 16 8.219 0.455 1.127 1.00 0.00 O ATOM 253 CB VAL A 16 5.860 0.273 -0.947 1.00 0.00 C ATOM 254 CG1 VAL A 16 6.212 1.425 -1.886 1.00 0.00 C ATOM 255 CG2 VAL A 16 4.685 -0.537 -1.491 1.00 0.00 C ATOM 0 H VAL A 16 6.296 -1.538 1.013 1.00 0.00 H new ATOM 0 HA VAL A 16 7.435 -1.034 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 16 5.559 0.698 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.333 2.050 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.010 2.023 -1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.545 1.025 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.832 0.122 -1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.969 -0.999 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.415 -1.313 -0.774 1.00 0.00 H new ATOM 265 N ALA A 17 9.161 0.638 -0.904 1.00 0.00 N ATOM 266 CA ALA A 17 10.292 1.442 -0.431 1.00 0.00 C ATOM 267 C ALA A 17 10.059 2.942 -0.660 1.00 0.00 C ATOM 268 O ALA A 17 9.901 3.395 -1.795 1.00 0.00 O ATOM 269 CB ALA A 17 11.576 1.003 -1.126 1.00 0.00 C ATOM 0 H ALA A 17 9.171 0.450 -1.906 1.00 0.00 H new ATOM 0 HA ALA A 17 10.386 1.279 0.643 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.409 1.607 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.768 -0.047 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.470 1.135 -2.203 1.00 0.00 H new ATOM 275 N CYS A 18 10.027 3.710 0.424 1.00 0.00 N ATOM 276 CA CYS A 18 9.925 5.171 0.332 1.00 0.00 C ATOM 277 C CYS A 18 11.191 5.774 -0.291 1.00 0.00 C ATOM 278 O CYS A 18 12.305 5.518 0.173 1.00 0.00 O ATOM 279 CB CYS A 18 9.693 5.780 1.718 1.00 0.00 C ATOM 280 SG CYS A 18 9.895 7.578 1.790 1.00 0.00 S ATOM 0 H CYS A 18 10.070 3.350 1.378 1.00 0.00 H new ATOM 0 HA CYS A 18 9.076 5.405 -0.310 1.00 0.00 H new ATOM 0 HB2 CYS A 18 8.686 5.526 2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 18 10.385 5.321 2.424 1.00 0.00 H new ATOM 0 HG CYS A 18 9.168 8.134 0.867 1.00 0.00 H new ATOM 286 N ASP A 19 11.016 6.546 -1.357 1.00 0.00 N ATOM 287 CA ASP A 19 12.133 7.209 -2.028 1.00 0.00 C ATOM 288 C ASP A 19 12.253 8.674 -1.580 1.00 0.00 C ATOM 289 O ASP A 19 13.159 9.032 -0.839 1.00 0.00 O ATOM 290 CB ASP A 19 11.948 7.119 -3.547 1.00 0.00 C ATOM 291 CG ASP A 19 13.110 7.719 -4.317 1.00 0.00 C ATOM 292 OD1 ASP A 19 14.190 7.092 -4.351 1.00 0.00 O ATOM 293 OD2 ASP A 19 12.952 8.816 -4.894 1.00 0.00 O ATOM 0 H ASP A 19 10.106 6.730 -1.779 1.00 0.00 H new ATOM 0 HA ASP A 19 13.058 6.703 -1.752 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.830 6.074 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.028 7.632 -3.828 1.00 0.00 H new ATOM 298 N GLY A 20 11.339 9.519 -2.047 1.00 0.00 N ATOM 299 CA GLY A 20 11.344 10.921 -1.641 1.00 0.00 C ATOM 300 C GLY A 20 10.575 11.824 -2.599 1.00 0.00 C ATOM 301 O GLY A 20 10.003 11.353 -3.584 1.00 0.00 O ATOM 0 H GLY A 20 10.596 9.263 -2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.911 11.006 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 20 12.375 11.269 -1.571 1.00 0.00 H new ATOM 305 N GLY A 21 10.565 13.126 -2.314 1.00 0.00 N ATOM 306 CA GLY A 21 10.006 14.101 -3.249 1.00 0.00 C ATOM 307 C GLY A 21 11.073 14.634 -4.200 1.00 0.00 C ATOM 308 O GLY A 21 11.338 14.047 -5.251 1.00 0.00 O ATOM 0 H GLY A 21 10.934 13.527 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.203 13.638 -3.823 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.565 14.929 -2.694 1.00 0.00 H new ATOM 312 N GLU A 22 11.684 15.756 -3.832 1.00 0.00 N ATOM 313 CA GLU A 22 12.886 16.244 -4.520 1.00 0.00 C ATOM 314 C GLU A 22 14.133 15.615 -3.883 1.00 0.00 C ATOM 315 O GLU A 22 14.046 15.029 -2.805 1.00 0.00 O ATOM 316 CB GLU A 22 12.987 17.774 -4.417 1.00 0.00 C ATOM 317 CG GLU A 22 11.734 18.523 -4.859 1.00 0.00 C ATOM 318 CD GLU A 22 11.904 20.034 -4.759 1.00 0.00 C ATOM 319 OE1 GLU A 22 11.996 20.552 -3.627 1.00 0.00 O ATOM 320 OE2 GLU A 22 11.959 20.707 -5.810 1.00 0.00 O ATOM 0 H GLU A 22 11.371 16.348 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 22 12.820 15.964 -5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.209 18.042 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.829 18.111 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.495 18.253 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.890 18.212 -4.243 1.00 0.00 H new ATOM 327 N GLY A 23 15.281 15.720 -4.546 1.00 0.00 N ATOM 328 CA GLY A 23 16.544 15.296 -3.938 1.00 0.00 C ATOM 329 C GLY A 23 16.705 15.784 -2.494 1.00 0.00 C ATOM 330 O GLY A 23 16.983 14.999 -1.585 1.00 0.00 O ATOM 0 H GLY A 23 15.366 16.090 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.603 14.208 -3.957 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.374 15.671 -4.537 1.00 0.00 H new ATOM 334 N ALA A 24 16.496 17.088 -2.285 1.00 0.00 N ATOM 335 CA ALA A 24 16.579 17.697 -0.946 1.00 0.00 C ATOM 336 C ALA A 24 15.494 17.158 0.010 1.00 0.00 C ATOM 337 O ALA A 24 15.572 17.339 1.226 1.00 0.00 O ATOM 338 CB ALA A 24 16.483 19.215 -1.060 1.00 0.00 C ATOM 0 H ALA A 24 16.267 17.748 -3.028 1.00 0.00 H new ATOM 0 HA ALA A 24 17.544 17.424 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.545 19.659 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 24 17.303 19.586 -1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.533 19.486 -1.520 1.00 0.00 H new ATOM 344 N LEU A 25 14.482 16.502 -0.553 1.00 0.00 N ATOM 345 CA LEU A 25 13.412 15.864 0.229 1.00 0.00 C ATOM 346 C LEU A 25 13.501 14.332 0.114 1.00 0.00 C ATOM 347 O LEU A 25 12.532 13.615 0.386 1.00 0.00 O ATOM 348 CB LEU A 25 12.040 16.344 -0.271 1.00 0.00 C ATOM 349 CG LEU A 25 11.789 17.859 -0.166 1.00 0.00 C ATOM 350 CD1 LEU A 25 10.425 18.220 -0.753 1.00 0.00 C ATOM 351 CD2 LEU A 25 11.896 18.327 1.286 1.00 0.00 C ATOM 0 H LEU A 25 14.376 16.395 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 25 13.532 16.144 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.928 16.046 -1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.265 15.825 0.293 1.00 0.00 H new ATOM 0 HG LEU A 25 12.556 18.373 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.266 19.295 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.392 17.929 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.643 17.694 -0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.715 19.401 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.155 17.805 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 25 12.894 18.109 1.666 1.00 0.00 H new ATOM 363 N GLY A 26 14.672 13.845 -0.293 1.00 0.00 N ATOM 364 CA GLY A 26 14.872 12.416 -0.505 1.00 0.00 C ATOM 365 C GLY A 26 15.026 11.624 0.790 1.00 0.00 C ATOM 366 O GLY A 26 15.907 11.903 1.603 1.00 0.00 O ATOM 0 H GLY A 26 15.494 14.419 -0.482 1.00 0.00 H new ATOM 0 HA2 GLY A 26 14.027 12.018 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.760 12.269 -1.119 1.00 0.00 H new ATOM 370 N HIS A 27 14.162 10.632 0.973 1.00 0.00 N ATOM 371 CA HIS A 27 14.206 9.757 2.145 1.00 0.00 C ATOM 372 C HIS A 27 15.060 8.510 1.836 1.00 0.00 C ATOM 373 O HIS A 27 14.749 7.755 0.917 1.00 0.00 O ATOM 374 CB HIS A 27 12.776 9.369 2.552 1.00 0.00 C ATOM 375 CG HIS A 27 11.880 10.564 2.716 1.00 0.00 C ATOM 376 ND1 HIS A 27 10.738 10.775 1.965 1.00 0.00 N ATOM 377 CD2 HIS A 27 11.982 11.636 3.538 1.00 0.00 C ATOM 378 CE1 HIS A 27 10.187 11.924 2.315 1.00 0.00 C ATOM 379 NE2 HIS A 27 10.920 12.463 3.266 1.00 0.00 N ATOM 0 H HIS A 27 13.413 10.410 0.317 1.00 0.00 H new ATOM 0 HA HIS A 27 14.668 10.282 2.981 1.00 0.00 H new ATOM 0 HB2 HIS A 27 12.355 8.704 1.798 1.00 0.00 H new ATOM 0 HB3 HIS A 27 12.807 8.811 3.488 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.377 10.142 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.756 11.808 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.288 12.348 1.893 1.00 0.00 H new ATOM 388 N PRO A 28 16.142 8.275 2.607 1.00 0.00 N ATOM 389 CA PRO A 28 17.169 7.263 2.268 1.00 0.00 C ATOM 390 C PRO A 28 16.739 5.794 2.484 1.00 0.00 C ATOM 391 O PRO A 28 17.428 5.035 3.172 1.00 0.00 O ATOM 392 CB PRO A 28 18.325 7.634 3.207 1.00 0.00 C ATOM 393 CG PRO A 28 17.661 8.240 4.396 1.00 0.00 C ATOM 394 CD PRO A 28 16.459 8.977 3.869 1.00 0.00 C ATOM 0 HA PRO A 28 17.406 7.290 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 28 18.909 6.756 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 28 19.010 8.337 2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 28 17.365 7.472 5.111 1.00 0.00 H new ATOM 0 HG3 PRO A 28 18.337 8.918 4.917 1.00 0.00 H new ATOM 0 HD2 PRO A 28 15.625 8.936 4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 28 16.679 10.031 3.697 1.00 0.00 H new ATOM 402 N ARG A 29 15.605 5.403 1.895 1.00 0.00 N ATOM 403 CA ARG A 29 15.180 4.023 1.820 1.00 0.00 C ATOM 404 C ARG A 29 14.644 3.519 3.165 1.00 0.00 C ATOM 405 O ARG A 29 15.381 3.192 4.096 1.00 0.00 O ATOM 406 CB ARG A 29 16.304 3.149 1.237 1.00 0.00 C ATOM 407 CG ARG A 29 16.025 1.651 1.219 1.00 0.00 C ATOM 408 CD ARG A 29 16.342 1.024 2.562 1.00 0.00 C ATOM 409 NE ARG A 29 16.617 -0.406 2.468 1.00 0.00 N ATOM 410 CZ ARG A 29 16.634 -1.218 3.489 1.00 0.00 C ATOM 411 NH1 ARG A 29 16.362 -0.785 4.681 1.00 0.00 N ATOM 412 NH2 ARG A 29 16.931 -2.461 3.312 1.00 0.00 N ATOM 0 H ARG A 29 14.955 6.054 1.454 1.00 0.00 H new ATOM 0 HA ARG A 29 14.337 3.951 1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 29 16.503 3.476 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 29 17.213 3.325 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.979 1.475 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.623 1.175 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 17.205 1.527 2.998 1.00 0.00 H new ATOM 0 HD3 ARG A 29 15.503 1.184 3.240 1.00 0.00 H new ATOM 0 HE ARG A 29 16.808 -0.796 1.545 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.132 0.198 4.826 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.378 -1.428 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.151 -2.805 2.377 1.00 0.00 H new ATOM 0 HH22 ARG A 29 16.946 -3.100 4.107 1.00 0.00 H new ATOM 426 N VAL A 30 13.330 3.526 3.251 1.00 0.00 N ATOM 427 CA VAL A 30 12.589 2.890 4.351 1.00 0.00 C ATOM 428 C VAL A 30 11.416 2.076 3.785 1.00 0.00 C ATOM 429 O VAL A 30 10.767 2.498 2.827 1.00 0.00 O ATOM 430 CB VAL A 30 12.070 3.916 5.399 1.00 0.00 C ATOM 431 CG1 VAL A 30 13.235 4.575 6.139 1.00 0.00 C ATOM 432 CG2 VAL A 30 11.183 4.974 4.744 1.00 0.00 C ATOM 0 H VAL A 30 12.729 3.974 2.559 1.00 0.00 H new ATOM 0 HA VAL A 30 13.285 2.231 4.870 1.00 0.00 H new ATOM 0 HB VAL A 30 11.466 3.372 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 30 12.847 5.288 6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 30 13.817 3.811 6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 30 13.872 5.096 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.835 5.677 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.755 5.510 3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.325 4.491 4.276 1.00 0.00 H new ATOM 442 N TRP A 31 11.151 0.909 4.365 1.00 0.00 N ATOM 443 CA TRP A 31 10.177 -0.036 3.795 1.00 0.00 C ATOM 444 C TRP A 31 8.871 -0.104 4.599 1.00 0.00 C ATOM 445 O TRP A 31 8.870 -0.399 5.798 1.00 0.00 O ATOM 446 CB TRP A 31 10.805 -1.432 3.690 1.00 0.00 C ATOM 447 CG TRP A 31 11.900 -1.510 2.664 1.00 0.00 C ATOM 448 CD1 TRP A 31 13.200 -1.113 2.812 1.00 0.00 C ATOM 449 CD2 TRP A 31 11.781 -2.006 1.325 1.00 0.00 C ATOM 450 NE1 TRP A 31 13.892 -1.328 1.646 1.00 0.00 N ATOM 451 CE2 TRP A 31 13.044 -1.879 0.720 1.00 0.00 C ATOM 452 CE3 TRP A 31 10.728 -2.545 0.581 1.00 0.00 C ATOM 453 CZ2 TRP A 31 13.282 -2.273 -0.594 1.00 0.00 C ATOM 454 CZ3 TRP A 31 10.965 -2.935 -0.723 1.00 0.00 C ATOM 455 CH2 TRP A 31 12.234 -2.797 -1.298 1.00 0.00 C ATOM 0 H TRP A 31 11.592 0.589 5.227 1.00 0.00 H new ATOM 0 HA TRP A 31 9.917 0.332 2.802 1.00 0.00 H new ATOM 0 HB2 TRP A 31 11.206 -1.718 4.663 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.029 -2.155 3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 31 13.621 -0.692 3.713 1.00 0.00 H new ATOM 0 HE1 TRP A 31 14.877 -1.113 1.493 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.746 -2.655 1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 14.260 -2.168 -1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.159 -3.353 -1.308 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.388 -3.111 -2.320 1.00 0.00 H new ATOM 466 N LEU A 32 7.756 0.154 3.918 1.00 0.00 N ATOM 467 CA LEU A 32 6.426 0.089 4.531 1.00 0.00 C ATOM 468 C LEU A 32 5.699 -1.200 4.112 1.00 0.00 C ATOM 469 O LEU A 32 6.028 -1.808 3.090 1.00 0.00 O ATOM 470 CB LEU A 32 5.584 1.319 4.134 1.00 0.00 C ATOM 471 CG LEU A 32 6.114 2.693 4.609 1.00 0.00 C ATOM 472 CD1 LEU A 32 7.391 3.092 3.864 1.00 0.00 C ATOM 473 CD2 LEU A 32 5.040 3.772 4.449 1.00 0.00 C ATOM 0 H LEU A 32 7.746 0.413 2.931 1.00 0.00 H new ATOM 0 HA LEU A 32 6.553 0.085 5.614 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.501 1.341 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.576 1.186 4.528 1.00 0.00 H new ATOM 0 HG LEU A 32 6.362 2.602 5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.734 4.062 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.164 2.345 4.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.185 3.154 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.433 4.730 4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.754 3.848 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.166 3.507 5.044 1.00 0.00 H new ATOM 485 N GLN A 33 4.708 -1.610 4.899 1.00 0.00 N ATOM 486 CA GLN A 33 3.948 -2.838 4.622 1.00 0.00 C ATOM 487 C GLN A 33 2.446 -2.555 4.516 1.00 0.00 C ATOM 488 O GLN A 33 1.790 -2.244 5.508 1.00 0.00 O ATOM 489 CB GLN A 33 4.229 -3.887 5.715 1.00 0.00 C ATOM 490 CG GLN A 33 3.325 -5.124 5.679 1.00 0.00 C ATOM 491 CD GLN A 33 3.305 -5.844 4.335 1.00 0.00 C ATOM 492 OE1 GLN A 33 4.391 -5.780 3.588 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 2.317 -6.468 3.973 1.00 0.00 N flip ATOM 0 H GLN A 33 4.408 -1.112 5.737 1.00 0.00 H new ATOM 0 HA GLN A 33 4.275 -3.232 3.660 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.266 -4.212 5.627 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.126 -3.410 6.690 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.654 -5.823 6.448 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.308 -4.825 5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.489 -6.503 4.568 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.321 -6.954 3.076 1.00 0.00 H new ATOM 502 N ILE A 34 1.920 -2.655 3.298 1.00 0.00 N ATOM 503 CA ILE A 34 0.492 -2.447 3.042 1.00 0.00 C ATOM 504 C ILE A 34 -0.358 -3.598 3.617 1.00 0.00 C ATOM 505 O ILE A 34 -0.256 -4.738 3.158 1.00 0.00 O ATOM 506 CB ILE A 34 0.208 -2.330 1.521 1.00 0.00 C ATOM 507 CG1 ILE A 34 1.053 -1.208 0.891 1.00 0.00 C ATOM 508 CG2 ILE A 34 -1.278 -2.095 1.268 1.00 0.00 C ATOM 509 CD1 ILE A 34 0.908 -1.095 -0.616 1.00 0.00 C ATOM 0 H ILE A 34 2.464 -2.880 2.465 1.00 0.00 H new ATOM 0 HA ILE A 34 0.217 -1.516 3.538 1.00 0.00 H new ATOM 0 HB ILE A 34 0.490 -3.271 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.772 -0.258 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.102 -1.379 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.456 -2.016 0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.852 -2.929 1.671 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.589 -1.172 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.535 -0.282 -0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.218 -2.030 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.133 -0.892 -0.867 1.00 0.00 H new ATOM 521 N PRO A 35 -1.217 -3.319 4.618 1.00 0.00 N ATOM 522 CA PRO A 35 -2.079 -4.343 5.229 1.00 0.00 C ATOM 523 C PRO A 35 -3.335 -4.643 4.389 1.00 0.00 C ATOM 524 O PRO A 35 -3.906 -3.746 3.762 1.00 0.00 O ATOM 525 CB PRO A 35 -2.464 -3.697 6.563 1.00 0.00 C ATOM 526 CG PRO A 35 -2.518 -2.240 6.250 1.00 0.00 C ATOM 527 CD PRO A 35 -1.424 -1.991 5.235 1.00 0.00 C ATOM 0 HA PRO A 35 -1.577 -5.306 5.322 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.425 -4.065 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.729 -3.913 7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.493 -1.963 5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.361 -1.642 7.148 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.723 -1.247 4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.514 -1.622 5.708 1.00 0.00 H new ATOM 535 N GLU A 36 -3.772 -5.904 4.399 1.00 0.00 N ATOM 536 CA GLU A 36 -4.969 -6.320 3.648 1.00 0.00 C ATOM 537 C GLU A 36 -6.226 -5.603 4.171 1.00 0.00 C ATOM 538 O GLU A 36 -7.180 -5.366 3.427 1.00 0.00 O ATOM 539 CB GLU A 36 -5.179 -7.843 3.748 1.00 0.00 C ATOM 540 CG GLU A 36 -4.021 -8.694 3.221 1.00 0.00 C ATOM 541 CD GLU A 36 -2.762 -8.606 4.074 1.00 0.00 C ATOM 542 OE1 GLU A 36 -2.875 -8.625 5.321 1.00 0.00 O ATOM 543 OE2 GLU A 36 -1.659 -8.501 3.505 1.00 0.00 O ATOM 0 H GLU A 36 -3.319 -6.657 4.917 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.809 -6.046 2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.354 -8.102 4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.083 -8.106 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.341 -9.735 3.167 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.784 -8.380 2.204 1.00 0.00 H new ATOM 550 N ASP A 37 -6.202 -5.271 5.462 1.00 0.00 N ATOM 551 CA ASP A 37 -7.320 -4.604 6.138 1.00 0.00 C ATOM 552 C ASP A 37 -7.676 -3.263 5.482 1.00 0.00 C ATOM 553 O ASP A 37 -8.842 -2.991 5.193 1.00 0.00 O ATOM 554 CB ASP A 37 -6.953 -4.369 7.606 1.00 0.00 C ATOM 555 CG ASP A 37 -6.536 -5.648 8.303 1.00 0.00 C ATOM 556 OD1 ASP A 37 -5.395 -6.107 8.076 1.00 0.00 O ATOM 557 OD2 ASP A 37 -7.347 -6.204 9.073 1.00 0.00 O ATOM 0 H ASP A 37 -5.406 -5.457 6.072 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.192 -5.253 6.058 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.141 -3.644 7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.806 -3.935 8.127 1.00 0.00 H new ATOM 562 N THR A 38 -6.667 -2.424 5.274 1.00 0.00 N ATOM 563 CA THR A 38 -6.872 -1.093 4.689 1.00 0.00 C ATOM 564 C THR A 38 -6.757 -1.132 3.161 1.00 0.00 C ATOM 565 O THR A 38 -7.613 -0.606 2.444 1.00 0.00 O ATOM 566 CB THR A 38 -5.838 -0.076 5.230 1.00 0.00 C ATOM 567 OG1 THR A 38 -4.519 -0.435 4.792 1.00 0.00 O ATOM 568 CG2 THR A 38 -5.869 -0.016 6.755 1.00 0.00 C ATOM 0 H THR A 38 -5.696 -2.637 5.500 1.00 0.00 H new ATOM 0 HA THR A 38 -7.877 -0.780 4.972 1.00 0.00 H new ATOM 0 HB THR A 38 -6.099 0.908 4.840 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.997 0.378 4.626 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.132 0.707 7.106 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.862 0.288 7.087 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.635 -0.999 7.163 1.00 0.00 H new ATOM 576 N GLY A 39 -5.683 -1.753 2.675 1.00 0.00 N ATOM 577 CA GLY A 39 -5.420 -1.787 1.243 1.00 0.00 C ATOM 578 C GLY A 39 -4.416 -0.726 0.812 1.00 0.00 C ATOM 579 O GLY A 39 -4.090 -0.612 -0.367 1.00 0.00 O ATOM 0 H GLY A 39 -4.989 -2.234 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.043 -2.772 0.969 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.354 -1.641 0.701 1.00 0.00 H new ATOM 583 N TRP A 40 -3.920 0.047 1.782 1.00 0.00 N ATOM 584 CA TRP A 40 -3.001 1.155 1.500 1.00 0.00 C ATOM 585 C TRP A 40 -2.140 1.520 2.722 1.00 0.00 C ATOM 586 O TRP A 40 -2.443 1.134 3.855 1.00 0.00 O ATOM 587 CB TRP A 40 -3.795 2.389 1.037 1.00 0.00 C ATOM 588 CG TRP A 40 -4.860 2.824 2.007 1.00 0.00 C ATOM 589 CD1 TRP A 40 -6.174 2.450 2.002 1.00 0.00 C ATOM 590 CD2 TRP A 40 -4.700 3.712 3.121 1.00 0.00 C ATOM 591 NE1 TRP A 40 -6.839 3.050 3.041 1.00 0.00 N ATOM 592 CE2 TRP A 40 -5.958 3.828 3.743 1.00 0.00 C ATOM 593 CE3 TRP A 40 -3.618 4.418 3.655 1.00 0.00 C ATOM 594 CZ2 TRP A 40 -6.162 4.618 4.871 1.00 0.00 C ATOM 595 CZ3 TRP A 40 -3.821 5.203 4.774 1.00 0.00 C ATOM 596 CH2 TRP A 40 -5.084 5.296 5.371 1.00 0.00 C ATOM 0 H TRP A 40 -4.139 -0.074 2.771 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.328 0.827 0.708 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.103 3.216 0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.259 2.171 0.075 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.624 1.780 1.285 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -7.829 2.935 3.256 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.640 4.351 3.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -7.135 4.693 5.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.992 5.753 5.195 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.210 5.917 6.246 1.00 0.00 H new ATOM 607 N VAL A 41 -1.067 2.273 2.481 1.00 0.00 N ATOM 608 CA VAL A 41 -0.217 2.786 3.563 1.00 0.00 C ATOM 609 C VAL A 41 0.280 4.205 3.237 1.00 0.00 C ATOM 610 O VAL A 41 0.664 4.493 2.102 1.00 0.00 O ATOM 611 CB VAL A 41 0.995 1.848 3.830 1.00 0.00 C ATOM 612 CG1 VAL A 41 1.929 1.788 2.620 1.00 0.00 C ATOM 613 CG2 VAL A 41 1.748 2.281 5.087 1.00 0.00 C ATOM 0 H VAL A 41 -0.763 2.543 1.546 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.826 2.821 4.467 1.00 0.00 H new ATOM 0 HB VAL A 41 0.610 0.842 3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.766 1.124 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.382 1.410 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.306 2.787 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.591 1.611 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.113 3.300 4.959 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.077 2.241 5.945 1.00 0.00 H new ATOM 623 N GLU A 42 0.257 5.097 4.225 1.00 0.00 N ATOM 624 CA GLU A 42 0.654 6.497 4.011 1.00 0.00 C ATOM 625 C GLU A 42 2.098 6.765 4.463 1.00 0.00 C ATOM 626 O GLU A 42 2.599 6.141 5.401 1.00 0.00 O ATOM 627 CB GLU A 42 -0.297 7.444 4.764 1.00 0.00 C ATOM 628 CG GLU A 42 -0.250 7.284 6.282 1.00 0.00 C ATOM 629 CD GLU A 42 -1.063 8.340 7.014 1.00 0.00 C ATOM 630 OE1 GLU A 42 -2.275 8.128 7.226 1.00 0.00 O ATOM 631 OE2 GLU A 42 -0.493 9.391 7.380 1.00 0.00 O ATOM 0 H GLU A 42 -0.030 4.882 5.180 1.00 0.00 H new ATOM 0 HA GLU A 42 0.594 6.684 2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.047 8.474 4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.317 7.269 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.623 6.295 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.786 7.335 6.616 1.00 0.00 H new ATOM 638 N CYS A 43 2.770 7.689 3.779 1.00 0.00 N ATOM 639 CA CYS A 43 4.084 8.175 4.221 1.00 0.00 C ATOM 640 C CYS A 43 3.941 9.505 4.981 1.00 0.00 C ATOM 641 O CYS A 43 3.498 10.506 4.411 1.00 0.00 O ATOM 642 CB CYS A 43 5.023 8.357 3.024 1.00 0.00 C ATOM 643 SG CYS A 43 5.398 6.826 2.144 1.00 0.00 S ATOM 0 H CYS A 43 2.431 8.118 2.918 1.00 0.00 H new ATOM 0 HA CYS A 43 4.512 7.430 4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.573 9.064 2.327 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.955 8.802 3.371 1.00 0.00 H new ATOM 0 HG CYS A 43 4.780 6.820 1.000 1.00 0.00 H new ATOM 649 N PRO A 44 4.353 9.548 6.267 1.00 0.00 N ATOM 650 CA PRO A 44 4.142 10.723 7.139 1.00 0.00 C ATOM 651 C PRO A 44 5.050 11.923 6.806 1.00 0.00 C ATOM 652 O PRO A 44 5.278 12.788 7.650 1.00 0.00 O ATOM 653 CB PRO A 44 4.461 10.169 8.536 1.00 0.00 C ATOM 654 CG PRO A 44 5.451 9.082 8.290 1.00 0.00 C ATOM 655 CD PRO A 44 5.056 8.456 6.975 1.00 0.00 C ATOM 0 HA PRO A 44 3.136 11.127 7.028 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.873 10.942 9.185 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.565 9.787 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.465 9.479 8.245 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.432 8.347 9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.927 8.112 6.417 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.409 7.591 7.121 1.00 0.00 H new ATOM 663 N TYR A 45 5.557 11.984 5.575 1.00 0.00 N ATOM 664 CA TYR A 45 6.390 13.110 5.141 1.00 0.00 C ATOM 665 C TYR A 45 5.699 13.911 4.024 1.00 0.00 C ATOM 666 O TYR A 45 4.949 14.846 4.296 1.00 0.00 O ATOM 667 CB TYR A 45 7.764 12.618 4.671 1.00 0.00 C ATOM 668 CG TYR A 45 8.499 11.759 5.682 1.00 0.00 C ATOM 669 CD1 TYR A 45 9.219 12.335 6.721 1.00 0.00 C ATOM 670 CD2 TYR A 45 8.477 10.369 5.591 1.00 0.00 C ATOM 671 CE1 TYR A 45 9.900 11.554 7.635 1.00 0.00 C ATOM 672 CE2 TYR A 45 9.153 9.583 6.503 1.00 0.00 C ATOM 673 CZ TYR A 45 9.862 10.181 7.522 1.00 0.00 C ATOM 674 OH TYR A 45 10.545 9.399 8.427 1.00 0.00 O ATOM 0 H TYR A 45 5.407 11.271 4.861 1.00 0.00 H new ATOM 0 HA TYR A 45 6.531 13.770 5.997 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.637 12.048 3.751 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.383 13.482 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.247 13.410 6.816 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.922 9.898 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.459 12.017 8.434 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.126 8.507 6.418 1.00 0.00 H new ATOM 0 HH TYR A 45 10.414 8.453 8.207 1.00 0.00 H new ATOM 684 N CYS A 46 5.922 13.512 2.770 1.00 0.00 N ATOM 685 CA CYS A 46 5.369 14.231 1.604 1.00 0.00 C ATOM 686 C CYS A 46 5.355 13.341 0.355 1.00 0.00 C ATOM 687 O CYS A 46 5.250 13.832 -0.769 1.00 0.00 O ATOM 688 CB CYS A 46 6.197 15.495 1.316 1.00 0.00 C ATOM 689 SG CYS A 46 5.922 16.861 2.472 1.00 0.00 S ATOM 0 H CYS A 46 6.482 12.694 2.528 1.00 0.00 H new ATOM 0 HA CYS A 46 4.343 14.510 1.845 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.254 15.231 1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.969 15.840 0.307 1.00 0.00 H new ATOM 0 HG CYS A 46 5.527 16.388 3.617 1.00 0.00 H new ATOM 695 N ASP A 47 5.443 12.030 0.562 1.00 0.00 N ATOM 696 CA ASP A 47 5.585 11.073 -0.538 1.00 0.00 C ATOM 697 C ASP A 47 4.231 10.737 -1.200 1.00 0.00 C ATOM 698 O ASP A 47 3.779 11.457 -2.093 1.00 0.00 O ATOM 699 CB ASP A 47 6.273 9.807 -0.012 1.00 0.00 C ATOM 700 CG ASP A 47 7.517 10.133 0.797 1.00 0.00 C ATOM 701 OD1 ASP A 47 7.373 10.657 1.927 1.00 0.00 O ATOM 702 OD2 ASP A 47 8.638 9.875 0.309 1.00 0.00 O ATOM 0 H ASP A 47 5.418 11.601 1.487 1.00 0.00 H new ATOM 0 HA ASP A 47 6.199 11.528 -1.315 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.574 9.245 0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.543 9.165 -0.851 1.00 0.00 H new ATOM 707 N CYS A 48 3.573 9.663 -0.752 1.00 0.00 N ATOM 708 CA CYS A 48 2.313 9.212 -1.363 1.00 0.00 C ATOM 709 C CYS A 48 1.522 8.278 -0.432 1.00 0.00 C ATOM 710 O CYS A 48 1.992 7.886 0.644 1.00 0.00 O ATOM 711 CB CYS A 48 2.582 8.473 -2.691 1.00 0.00 C ATOM 712 SG CYS A 48 3.350 9.473 -3.992 1.00 0.00 S ATOM 0 H CYS A 48 3.889 9.089 0.030 1.00 0.00 H new ATOM 0 HA CYS A 48 1.720 10.108 -1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.224 7.616 -2.487 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.637 8.081 -3.067 1.00 0.00 H new ATOM 0 HG CYS A 48 3.584 10.669 -3.539 1.00 0.00 H new ATOM 718 N LYS A 49 0.305 7.941 -0.863 1.00 0.00 N ATOM 719 CA LYS A 49 -0.499 6.888 -0.239 1.00 0.00 C ATOM 720 C LYS A 49 -0.412 5.611 -1.091 1.00 0.00 C ATOM 721 O LYS A 49 -1.022 5.530 -2.158 1.00 0.00 O ATOM 722 CB LYS A 49 -1.971 7.326 -0.126 1.00 0.00 C ATOM 723 CG LYS A 49 -2.846 6.336 0.640 1.00 0.00 C ATOM 724 CD LYS A 49 -4.345 6.544 0.396 1.00 0.00 C ATOM 725 CE LYS A 49 -4.811 7.975 0.664 1.00 0.00 C ATOM 726 NZ LYS A 49 -4.643 8.855 -0.524 1.00 0.00 N ATOM 0 H LYS A 49 -0.152 8.391 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.112 6.697 0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.016 8.296 0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.380 7.460 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.574 5.321 0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.641 6.429 1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.577 6.281 -0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.907 5.861 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.860 7.964 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.248 8.387 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.384 9.585 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.709 9.310 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -4.719 8.286 -1.391 1.00 0.00 H new ATOM 740 N TYR A 50 0.350 4.623 -0.637 1.00 0.00 N ATOM 741 CA TYR A 50 0.604 3.423 -1.440 1.00 0.00 C ATOM 742 C TYR A 50 -0.547 2.416 -1.337 1.00 0.00 C ATOM 743 O TYR A 50 -0.689 1.719 -0.334 1.00 0.00 O ATOM 744 CB TYR A 50 1.925 2.778 -1.014 1.00 0.00 C ATOM 745 CG TYR A 50 3.139 3.656 -1.277 1.00 0.00 C ATOM 746 CD1 TYR A 50 3.685 3.749 -2.551 1.00 0.00 C ATOM 747 CD2 TYR A 50 3.733 4.392 -0.256 1.00 0.00 C ATOM 748 CE1 TYR A 50 4.787 4.547 -2.804 1.00 0.00 C ATOM 749 CE2 TYR A 50 4.834 5.193 -0.502 1.00 0.00 C ATOM 750 CZ TYR A 50 5.358 5.267 -1.777 1.00 0.00 C ATOM 751 OH TYR A 50 6.462 6.058 -2.022 1.00 0.00 O ATOM 0 H TYR A 50 0.803 4.624 0.277 1.00 0.00 H new ATOM 0 HA TYR A 50 0.675 3.727 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.880 2.543 0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.047 1.834 -1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.241 3.188 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 50 3.328 4.337 0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.197 4.605 -3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.282 5.759 0.301 1.00 0.00 H new ATOM 0 HH TYR A 50 6.740 6.499 -1.192 1.00 0.00 H new ATOM 761 N VAL A 51 -1.373 2.365 -2.379 1.00 0.00 N ATOM 762 CA VAL A 51 -2.507 1.434 -2.445 1.00 0.00 C ATOM 763 C VAL A 51 -2.140 0.131 -3.183 1.00 0.00 C ATOM 764 O VAL A 51 -1.716 0.158 -4.336 1.00 0.00 O ATOM 765 CB VAL A 51 -3.720 2.090 -3.157 1.00 0.00 C ATOM 766 CG1 VAL A 51 -4.886 1.106 -3.278 1.00 0.00 C ATOM 767 CG2 VAL A 51 -4.155 3.358 -2.424 1.00 0.00 C ATOM 0 H VAL A 51 -1.280 2.963 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.771 1.190 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.409 2.366 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.722 1.592 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.571 0.237 -3.856 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.197 0.786 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.007 3.802 -2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.440 3.108 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.330 4.070 -2.407 1.00 0.00 H new ATOM 777 N LEU A 52 -2.318 -1.005 -2.511 1.00 0.00 N ATOM 778 CA LEU A 52 -2.071 -2.320 -3.121 1.00 0.00 C ATOM 779 C LEU A 52 -3.232 -2.726 -4.042 1.00 0.00 C ATOM 780 O LEU A 52 -4.377 -2.846 -3.595 1.00 0.00 O ATOM 781 CB LEU A 52 -1.876 -3.384 -2.029 1.00 0.00 C ATOM 782 CG LEU A 52 -1.730 -4.833 -2.529 1.00 0.00 C ATOM 783 CD1 LEU A 52 -0.546 -4.963 -3.486 1.00 0.00 C ATOM 784 CD2 LEU A 52 -1.583 -5.796 -1.351 1.00 0.00 C ATOM 0 H LEU A 52 -2.633 -1.046 -1.542 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.163 -2.249 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.988 -3.127 -1.451 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.725 -3.338 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.635 -5.097 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.464 -5.996 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.699 -4.310 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.371 -4.676 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.481 -6.815 -1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.698 -5.531 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.465 -5.730 -0.714 1.00 0.00 H new ATOM 796 N LYS A 53 -2.934 -2.945 -5.321 1.00 0.00 N ATOM 797 CA LYS A 53 -3.966 -3.307 -6.297 1.00 0.00 C ATOM 798 C LYS A 53 -4.584 -4.685 -5.997 1.00 0.00 C ATOM 799 O LYS A 53 -3.906 -5.598 -5.519 1.00 0.00 O ATOM 800 CB LYS A 53 -3.407 -3.273 -7.727 1.00 0.00 C ATOM 801 CG LYS A 53 -4.480 -3.515 -8.786 1.00 0.00 C ATOM 802 CD LYS A 53 -4.031 -3.126 -10.188 1.00 0.00 C ATOM 803 CE LYS A 53 -5.211 -3.137 -11.155 1.00 0.00 C ATOM 804 NZ LYS A 53 -6.315 -2.253 -10.684 1.00 0.00 N ATOM 0 H LYS A 53 -1.992 -2.879 -5.707 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.758 -2.563 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.937 -2.306 -7.906 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.628 -4.029 -7.826 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.758 -4.569 -8.779 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.374 -2.948 -8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.580 -2.134 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.264 -3.818 -10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.878 -2.810 -12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.582 -4.156 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.989 -2.096 -11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.805 -2.705 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.922 -1.340 -10.377 1.00 0.00 H new ATOM 818 N GLY A 54 -5.878 -4.826 -6.291 1.00 0.00 N ATOM 819 CA GLY A 54 -6.597 -6.052 -5.961 1.00 0.00 C ATOM 820 C GLY A 54 -7.128 -6.052 -4.530 1.00 0.00 C ATOM 821 O GLY A 54 -7.467 -7.101 -3.981 1.00 0.00 O ATOM 0 H GLY A 54 -6.442 -4.113 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.429 -6.179 -6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.934 -6.906 -6.099 1.00 0.00 H new ATOM 825 N SER A 55 -7.195 -4.867 -3.927 1.00 0.00 N ATOM 826 CA SER A 55 -7.681 -4.709 -2.549 1.00 0.00 C ATOM 827 C SER A 55 -8.934 -3.825 -2.509 1.00 0.00 C ATOM 828 O SER A 55 -9.308 -3.219 -3.515 1.00 0.00 O ATOM 829 CB SER A 55 -6.584 -4.092 -1.668 1.00 0.00 C ATOM 830 OG SER A 55 -5.385 -4.848 -1.728 1.00 0.00 O ATOM 0 H SER A 55 -6.917 -3.992 -4.372 1.00 0.00 H new ATOM 0 HA SER A 55 -7.939 -5.696 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.388 -3.070 -1.991 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.931 -4.039 -0.636 1.00 0.00 H new ATOM 0 HG SER A 55 -4.753 -4.412 -2.337 1.00 0.00 H new ATOM 836 N LYS A 56 -9.571 -3.732 -1.341 1.00 0.00 N ATOM 837 CA LYS A 56 -10.801 -2.935 -1.185 1.00 0.00 C ATOM 838 C LYS A 56 -10.603 -1.464 -1.608 1.00 0.00 C ATOM 839 O LYS A 56 -11.543 -0.810 -2.067 1.00 0.00 O ATOM 840 CB LYS A 56 -11.297 -2.996 0.268 1.00 0.00 C ATOM 841 CG LYS A 56 -10.308 -2.432 1.289 1.00 0.00 C ATOM 842 CD LYS A 56 -10.890 -2.414 2.699 1.00 0.00 C ATOM 843 CE LYS A 56 -11.203 -3.816 3.206 1.00 0.00 C ATOM 844 NZ LYS A 56 -11.845 -3.781 4.545 1.00 0.00 N ATOM 0 H LYS A 56 -9.261 -4.196 -0.487 1.00 0.00 H new ATOM 0 HA LYS A 56 -11.550 -3.371 -1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.235 -2.446 0.344 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.515 -4.033 0.523 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.397 -3.031 1.280 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.027 -1.419 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.184 -1.933 3.376 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.800 -1.814 2.708 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.861 -4.321 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.283 -4.399 3.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.197 -4.729 4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.149 -3.479 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.640 -3.110 4.532 1.00 0.00 H new ATOM 858 N ALA A 57 -9.382 -0.954 -1.448 1.00 0.00 N ATOM 859 CA ALA A 57 -9.059 0.426 -1.830 1.00 0.00 C ATOM 860 C ALA A 57 -8.911 0.586 -3.355 1.00 0.00 C ATOM 861 O ALA A 57 -9.138 1.665 -3.905 1.00 0.00 O ATOM 862 CB ALA A 57 -7.785 0.876 -1.124 1.00 0.00 C ATOM 0 H ALA A 57 -8.597 -1.475 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.891 1.058 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.552 1.901 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.930 0.827 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.961 0.222 -1.409 1.00 0.00 H new ATOM 868 N ASP A 58 -8.539 -0.495 -4.037 1.00 0.00 N ATOM 869 CA ASP A 58 -8.377 -0.473 -5.496 1.00 0.00 C ATOM 870 C ASP A 58 -9.751 -0.535 -6.195 1.00 0.00 C ATOM 871 O ASP A 58 -10.149 -1.565 -6.747 1.00 0.00 O ATOM 872 CB ASP A 58 -7.467 -1.634 -5.941 1.00 0.00 C ATOM 873 CG ASP A 58 -7.239 -1.680 -7.446 1.00 0.00 C ATOM 874 OD1 ASP A 58 -6.732 -0.691 -8.008 1.00 0.00 O ATOM 875 OD2 ASP A 58 -7.558 -2.717 -8.075 1.00 0.00 O ATOM 0 H ASP A 58 -8.343 -1.399 -3.606 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.902 0.464 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.504 -1.545 -5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.909 -2.577 -5.619 1.00 0.00 H new ATOM 880 N ALA A 59 -10.488 0.573 -6.125 1.00 0.00 N ATOM 881 CA ALA A 59 -11.824 0.659 -6.731 1.00 0.00 C ATOM 882 C ALA A 59 -12.222 2.103 -7.110 1.00 0.00 C ATOM 883 O ALA A 59 -13.144 2.306 -7.901 1.00 0.00 O ATOM 884 CB ALA A 59 -12.864 0.060 -5.786 1.00 0.00 C ATOM 0 H ALA A 59 -10.186 1.426 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.789 0.088 -7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -13.852 0.127 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.623 -0.986 -5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.861 0.610 -4.845 1.00 0.00 H new ATOM 890 N LEU A 60 -11.538 3.103 -6.545 1.00 0.00 N ATOM 891 CA LEU A 60 -11.862 4.511 -6.810 1.00 0.00 C ATOM 892 C LEU A 60 -11.715 4.864 -8.302 1.00 0.00 C ATOM 893 O LEU A 60 -12.711 5.037 -9.007 1.00 0.00 O ATOM 894 CB LEU A 60 -10.980 5.449 -5.961 1.00 0.00 C ATOM 895 CG LEU A 60 -11.276 5.469 -4.446 1.00 0.00 C ATOM 896 CD1 LEU A 60 -10.960 4.128 -3.794 1.00 0.00 C ATOM 897 CD2 LEU A 60 -10.504 6.595 -3.759 1.00 0.00 C ATOM 0 H LEU A 60 -10.758 2.966 -5.902 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.906 4.653 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.938 5.163 -6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.088 6.463 -6.346 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.343 5.653 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.181 4.181 -2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.568 3.348 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.905 3.895 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.727 6.591 -2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.434 6.446 -3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.799 7.553 -4.188 1.00 0.00 H new ATOM 909 N GLU A 61 -10.475 4.973 -8.778 1.00 0.00 N ATOM 910 CA GLU A 61 -10.207 5.331 -10.177 1.00 0.00 C ATOM 911 C GLU A 61 -9.963 4.076 -11.035 1.00 0.00 C ATOM 912 O GLU A 61 -8.998 3.341 -10.818 1.00 0.00 O ATOM 913 CB GLU A 61 -8.985 6.262 -10.255 1.00 0.00 C ATOM 914 CG GLU A 61 -9.115 7.539 -9.422 1.00 0.00 C ATOM 915 CD GLU A 61 -10.227 8.468 -9.898 1.00 0.00 C ATOM 916 OE1 GLU A 61 -9.974 9.295 -10.805 1.00 0.00 O ATOM 917 OE2 GLU A 61 -11.355 8.389 -9.360 1.00 0.00 O ATOM 0 H GLU A 61 -9.637 4.819 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.083 5.847 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.103 5.714 -9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.817 6.536 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.300 7.268 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.168 8.077 -9.447 1.00 0.00 H new ATOM 924 N HIS A 62 -10.843 3.836 -12.011 1.00 0.00 N ATOM 925 CA HIS A 62 -10.722 2.670 -12.898 1.00 0.00 C ATOM 926 C HIS A 62 -11.669 2.780 -14.107 1.00 0.00 C ATOM 927 O HIS A 62 -12.843 3.126 -13.962 1.00 0.00 O ATOM 928 CB HIS A 62 -11.002 1.363 -12.129 1.00 0.00 C ATOM 929 CG HIS A 62 -12.399 1.249 -11.584 1.00 0.00 C ATOM 930 ND1 HIS A 62 -13.183 0.130 -11.760 1.00 0.00 N ATOM 931 CD2 HIS A 62 -13.146 2.111 -10.853 1.00 0.00 C ATOM 932 CE1 HIS A 62 -14.344 0.307 -11.164 1.00 0.00 C ATOM 933 NE2 HIS A 62 -14.350 1.498 -10.605 1.00 0.00 N ATOM 0 H HIS A 62 -11.647 4.432 -12.209 1.00 0.00 H new ATOM 0 HA HIS A 62 -9.697 2.650 -13.268 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -10.814 0.518 -12.792 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -10.295 1.283 -11.303 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -12.850 3.097 -10.526 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.155 -0.406 -11.138 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -15.122 1.900 -10.074 1.00 0.00 H new ATOM 942 N HIS A 63 -11.145 2.489 -15.297 1.00 0.00 N ATOM 943 CA HIS A 63 -11.952 2.453 -16.527 1.00 0.00 C ATOM 944 C HIS A 63 -11.557 1.256 -17.411 1.00 0.00 C ATOM 945 O HIS A 63 -10.671 0.482 -17.047 1.00 0.00 O ATOM 946 CB HIS A 63 -11.836 3.781 -17.301 1.00 0.00 C ATOM 947 CG HIS A 63 -10.435 4.302 -17.469 1.00 0.00 C ATOM 948 ND1 HIS A 63 -9.996 5.484 -16.908 1.00 0.00 N ATOM 949 CD2 HIS A 63 -9.384 3.817 -18.170 1.00 0.00 C ATOM 950 CE1 HIS A 63 -8.742 5.699 -17.257 1.00 0.00 C ATOM 951 NE2 HIS A 63 -8.347 4.704 -18.024 1.00 0.00 N ATOM 0 H HIS A 63 -10.159 2.273 -15.441 1.00 0.00 H new ATOM 0 HA HIS A 63 -12.996 2.324 -16.242 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.278 3.648 -18.288 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -12.429 4.537 -16.786 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -9.365 2.900 -18.740 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -8.141 6.547 -16.963 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.421 4.608 -18.441 1.00 0.00 H new ATOM 960 N HIS A 64 -12.212 1.113 -18.566 1.00 0.00 N ATOM 961 CA HIS A 64 -11.999 -0.042 -19.451 1.00 0.00 C ATOM 962 C HIS A 64 -10.509 -0.291 -19.739 1.00 0.00 C ATOM 963 O HIS A 64 -9.855 0.483 -20.449 1.00 0.00 O ATOM 964 CB HIS A 64 -12.765 0.142 -20.768 1.00 0.00 C ATOM 965 CG HIS A 64 -14.245 0.283 -20.580 1.00 0.00 C ATOM 966 ND1 HIS A 64 -14.994 1.253 -21.207 1.00 0.00 N ATOM 967 CD2 HIS A 64 -15.117 -0.431 -19.829 1.00 0.00 C ATOM 968 CE1 HIS A 64 -16.256 1.133 -20.850 1.00 0.00 C ATOM 969 NE2 HIS A 64 -16.360 0.120 -20.016 1.00 0.00 N ATOM 0 H HIS A 64 -12.897 1.784 -18.914 1.00 0.00 H new ATOM 0 HA HIS A 64 -12.382 -0.918 -18.928 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -12.385 1.026 -21.280 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.568 -0.712 -21.417 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.879 -1.276 -19.200 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -17.069 1.760 -21.185 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -17.224 -0.203 -19.580 1.00 0.00 H new ATOM 978 N HIS A 65 -9.988 -1.371 -19.157 1.00 0.00 N ATOM 979 CA HIS A 65 -8.600 -1.803 -19.347 1.00 0.00 C ATOM 980 C HIS A 65 -7.594 -0.767 -18.805 1.00 0.00 C ATOM 981 O HIS A 65 -7.200 -0.827 -17.639 1.00 0.00 O ATOM 982 CB HIS A 65 -8.323 -2.116 -20.827 1.00 0.00 C ATOM 983 CG HIS A 65 -9.288 -3.100 -21.422 1.00 0.00 C ATOM 984 ND1 HIS A 65 -10.233 -2.752 -22.363 1.00 0.00 N ATOM 985 CD2 HIS A 65 -9.450 -4.430 -21.211 1.00 0.00 C ATOM 986 CE1 HIS A 65 -10.933 -3.814 -22.701 1.00 0.00 C ATOM 987 NE2 HIS A 65 -10.480 -4.844 -22.018 1.00 0.00 N ATOM 0 H HIS A 65 -10.521 -1.978 -18.534 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.463 -2.717 -18.770 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -8.362 -1.189 -21.400 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.311 -2.508 -20.924 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -8.876 -5.047 -20.535 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.741 -3.837 -23.417 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -10.837 -5.797 -22.079 1.00 0.00 H new ATOM 996 N HIS A 66 -7.193 0.191 -19.646 1.00 0.00 N ATOM 997 CA HIS A 66 -6.214 1.222 -19.245 1.00 0.00 C ATOM 998 C HIS A 66 -6.438 2.569 -19.955 1.00 0.00 C ATOM 999 O HIS A 66 -6.206 3.621 -19.360 1.00 0.00 O ATOM 1000 CB HIS A 66 -4.777 0.748 -19.519 1.00 0.00 C ATOM 1001 CG HIS A 66 -4.283 -0.297 -18.567 1.00 0.00 C ATOM 1002 ND1 HIS A 66 -3.850 0.001 -17.294 1.00 0.00 N ATOM 1003 CD2 HIS A 66 -4.150 -1.639 -18.703 1.00 0.00 C ATOM 1004 CE1 HIS A 66 -3.476 -1.103 -16.688 1.00 0.00 C ATOM 1005 NE2 HIS A 66 -3.646 -2.110 -17.517 1.00 0.00 N ATOM 0 H HIS A 66 -7.526 0.279 -20.606 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.362 1.376 -18.176 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.724 0.353 -20.534 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -4.108 1.608 -19.476 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.394 -2.225 -19.577 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.094 -1.172 -15.680 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.436 -3.087 -17.311 1.00 0.00 H new ATOM 1014 N HIS A 67 -6.871 2.530 -21.221 1.00 0.00 N ATOM 1015 CA HIS A 67 -7.044 3.751 -22.041 1.00 0.00 C ATOM 1016 C HIS A 67 -7.849 4.857 -21.317 1.00 0.00 C ATOM 1017 O HIS A 67 -9.096 4.764 -21.274 1.00 0.00 O ATOM 1018 CB HIS A 67 -7.723 3.411 -23.377 1.00 0.00 C ATOM 1019 CG HIS A 67 -6.954 2.445 -24.235 1.00 0.00 C ATOM 1020 ND1 HIS A 67 -7.550 1.401 -24.912 1.00 0.00 N ATOM 1021 CD2 HIS A 67 -5.633 2.379 -24.546 1.00 0.00 C ATOM 1022 CE1 HIS A 67 -6.640 0.738 -25.594 1.00 0.00 C ATOM 1023 NE2 HIS A 67 -5.473 1.308 -25.391 1.00 0.00 N ATOM 1024 OXT HIS A 67 -7.232 5.827 -20.819 1.00 0.00 O ATOM 0 H HIS A 67 -7.111 1.666 -21.708 1.00 0.00 H new ATOM 0 HA HIS A 67 -6.043 4.143 -22.221 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.709 2.993 -23.174 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -7.877 4.333 -23.937 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.856 3.043 -24.195 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.821 -0.127 -26.215 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.588 1.003 -25.797 1.00 0.00 H new TER 1033 HIS A 67