USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 733 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 NoAdj-H: A 10 HIS HD1 : A 10 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 60 HIS HD1 : A 60 HIS ND1 : A 102 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 70 HIS HD1 : A 70 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD Set 1.1: A 75 ASN : amide:sc= -1.82! C(o=-8.1!,f=-18!) USER MOD Set 1.2: A 77 THR OG1 : rot 95:sc= -6.27! USER MOD Set 2.1: A 31 GLN : amide:sc= -8.28! C(o=-8.9!,f=-11!) USER MOD Set 2.2: A 32 SER OG : rot 99:sc= -0.65 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.00795 (180deg=0) USER MOD Single : A 4 SER OG : rot -170:sc= -0.454 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 1.1 (180deg=0.338) USER MOD Single : A 26 SER OG : rot -49:sc= -1.01 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 36 THR OG1 : rot 180:sc= -1.06! USER MOD Single : A 39 ASN :FLIP amide:sc= -0.0347 F(o=-1.5!,f=-0.035) USER MOD Single : A 45 GLN : amide:sc= -3.12 K(o=-3.1,f=-6.9!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -159:sc= -1.83 USER MOD Single : A 61 SER OG : rot -109:sc= -0.15 USER MOD Single : A 62 THR OG1 : rot -50:sc= -0.696! USER MOD Single : A 66 GLN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -120:sc= -2.32 (180deg=-7.33!) USER MOD Single : A 69 LYS NZ :NH3+ -92:sc= 1.27 (180deg=-0.162) USER MOD Single : A 71 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3!) USER MOD Single : A 73 THR OG1 : rot 15:sc= -0.35! USER MOD Single : A 78 THR OG1 : rot -110:sc= -0.036 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -128:sc= -1.48 (180deg=-4!) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.608 F(o=-1.5,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.430 -4.881 3.414 1.00 0.00 N ATOM 2 CA MET A 1 17.579 -3.676 3.629 1.00 0.00 C ATOM 3 C MET A 1 17.990 -2.580 2.643 1.00 0.00 C ATOM 4 O MET A 1 19.160 -2.337 2.423 1.00 0.00 O ATOM 5 CB MET A 1 17.762 -3.170 5.061 1.00 0.00 C ATOM 6 CG MET A 1 16.658 -2.165 5.395 1.00 0.00 C ATOM 7 SD MET A 1 16.982 -1.431 7.016 1.00 0.00 S ATOM 8 CE MET A 1 15.258 -1.155 7.491 1.00 0.00 C ATOM 0 H1 MET A 1 18.610 -5.346 4.327 1.00 0.00 H new ATOM 0 H2 MET A 1 17.940 -5.543 2.778 1.00 0.00 H new ATOM 0 H3 MET A 1 19.334 -4.596 2.987 1.00 0.00 H new ATOM 0 HA MET A 1 16.533 -3.936 3.468 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.730 -4.006 5.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.740 -2.701 5.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.617 -1.387 4.633 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.688 -2.661 5.396 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.222 -0.699 8.480 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.783 -0.492 6.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.729 -2.108 7.511 1.00 0.00 H new ATOM 18 N GLY A 2 17.038 -1.916 2.048 1.00 0.00 N ATOM 19 CA GLY A 2 17.374 -0.835 1.078 1.00 0.00 C ATOM 20 C GLY A 2 18.355 0.146 1.723 1.00 0.00 C ATOM 21 O GLY A 2 18.783 -0.038 2.845 1.00 0.00 O ATOM 0 H GLY A 2 16.041 -2.075 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.813 -1.264 0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 2 16.468 -0.311 0.773 1.00 0.00 H new ATOM 25 N ASP A 3 18.714 1.191 1.023 1.00 0.00 N ATOM 26 CA ASP A 3 19.667 2.186 1.597 1.00 0.00 C ATOM 27 C ASP A 3 18.887 3.374 2.163 1.00 0.00 C ATOM 28 O ASP A 3 19.050 3.746 3.308 1.00 0.00 O ATOM 29 CB ASP A 3 20.613 2.678 0.498 1.00 0.00 C ATOM 30 CG ASP A 3 19.813 2.984 -0.770 1.00 0.00 C ATOM 31 OD1 ASP A 3 19.128 3.993 -0.786 1.00 0.00 O ATOM 32 OD2 ASP A 3 19.899 2.203 -1.703 1.00 0.00 O ATOM 0 H ASP A 3 18.388 1.398 0.079 1.00 0.00 H new ATOM 0 HA ASP A 3 20.244 1.717 2.394 1.00 0.00 H new ATOM 0 HB2 ASP A 3 21.140 3.572 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 3 21.369 1.921 0.289 1.00 0.00 H new ATOM 37 N SER A 4 18.041 3.973 1.369 1.00 0.00 N ATOM 38 CA SER A 4 17.253 5.137 1.860 1.00 0.00 C ATOM 39 C SER A 4 16.551 4.762 3.169 1.00 0.00 C ATOM 40 O SER A 4 16.744 3.688 3.703 1.00 0.00 O ATOM 41 CB SER A 4 16.212 5.528 0.802 1.00 0.00 C ATOM 42 OG SER A 4 16.165 4.519 -0.200 1.00 0.00 O ATOM 0 H SER A 4 17.862 3.705 0.401 1.00 0.00 H new ATOM 0 HA SER A 4 17.918 5.982 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 4 15.232 5.645 1.264 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.471 6.489 0.357 1.00 0.00 H new ATOM 0 HG SER A 4 15.624 4.832 -0.955 1.00 0.00 H new ATOM 48 N ARG A 5 15.739 5.642 3.686 1.00 0.00 N ATOM 49 CA ARG A 5 15.017 5.352 4.960 1.00 0.00 C ATOM 50 C ARG A 5 13.535 5.130 4.651 1.00 0.00 C ATOM 51 O ARG A 5 12.973 4.097 4.953 1.00 0.00 O ATOM 52 CB ARG A 5 15.177 6.541 5.920 1.00 0.00 C ATOM 53 CG ARG A 5 16.367 7.402 5.482 1.00 0.00 C ATOM 54 CD ARG A 5 16.542 8.583 6.446 1.00 0.00 C ATOM 55 NE ARG A 5 16.807 9.822 5.662 1.00 0.00 N ATOM 56 CZ ARG A 5 16.535 10.991 6.176 1.00 0.00 C ATOM 57 NH1 ARG A 5 16.754 12.075 5.482 1.00 0.00 N ATOM 58 NH2 ARG A 5 16.045 11.077 7.382 1.00 0.00 N ATOM 0 H ARG A 5 15.542 6.556 3.279 1.00 0.00 H new ATOM 0 HA ARG A 5 15.430 4.458 5.428 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.266 7.140 5.928 1.00 0.00 H new ATOM 0 HB3 ARG A 5 15.331 6.181 6.937 1.00 0.00 H new ATOM 0 HG2 ARG A 5 17.275 6.799 5.463 1.00 0.00 H new ATOM 0 HG3 ARG A 5 16.207 7.770 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.646 8.708 7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 5 17.367 8.389 7.131 1.00 0.00 H new ATOM 0 HE ARG A 5 17.201 9.757 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.137 12.008 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 5 16.542 12.989 5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.874 10.230 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 5 15.833 11.991 7.782 1.00 0.00 H new ATOM 72 N ASP A 6 12.903 6.096 4.043 1.00 0.00 N ATOM 73 CA ASP A 6 11.461 5.953 3.703 1.00 0.00 C ATOM 74 C ASP A 6 11.267 4.710 2.828 1.00 0.00 C ATOM 75 O ASP A 6 10.222 4.090 2.837 1.00 0.00 O ATOM 76 CB ASP A 6 11.001 7.202 2.937 1.00 0.00 C ATOM 77 CG ASP A 6 9.619 7.637 3.430 1.00 0.00 C ATOM 78 OD1 ASP A 6 9.344 8.825 3.390 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.861 6.775 3.842 1.00 0.00 O ATOM 0 H ASP A 6 13.326 6.982 3.766 1.00 0.00 H new ATOM 0 HA ASP A 6 10.873 5.847 4.615 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.718 8.011 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.965 6.991 1.868 1.00 0.00 H new ATOM 84 N LEU A 7 12.264 4.346 2.068 1.00 0.00 N ATOM 85 CA LEU A 7 12.130 3.151 1.191 1.00 0.00 C ATOM 86 C LEU A 7 12.182 1.877 2.051 1.00 0.00 C ATOM 87 O LEU A 7 12.806 1.844 3.092 1.00 0.00 O ATOM 88 CB LEU A 7 13.247 3.184 0.115 1.00 0.00 C ATOM 89 CG LEU A 7 14.404 2.204 0.406 1.00 0.00 C ATOM 90 CD1 LEU A 7 14.971 2.430 1.816 1.00 0.00 C ATOM 91 CD2 LEU A 7 13.930 0.749 0.241 1.00 0.00 C ATOM 0 H LEU A 7 13.163 4.824 2.017 1.00 0.00 H new ATOM 0 HA LEU A 7 11.170 3.156 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 7 12.814 2.945 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 7 13.646 4.196 0.046 1.00 0.00 H new ATOM 0 HG LEU A 7 15.200 2.393 -0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 7 15.785 1.728 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.347 3.450 1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 7 14.184 2.273 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 7 14.757 0.071 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 7 13.114 0.551 0.936 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.582 0.593 -0.780 1.00 0.00 H new ATOM 103 N CYS A 8 11.516 0.832 1.625 1.00 0.00 N ATOM 104 CA CYS A 8 11.513 -0.445 2.407 1.00 0.00 C ATOM 105 C CYS A 8 12.145 -1.546 1.544 1.00 0.00 C ATOM 106 O CYS A 8 12.215 -1.432 0.339 1.00 0.00 O ATOM 107 CB CYS A 8 10.065 -0.827 2.796 1.00 0.00 C ATOM 108 SG CYS A 8 9.622 -2.446 2.088 1.00 0.00 S ATOM 0 H CYS A 8 10.971 0.808 0.763 1.00 0.00 H new ATOM 0 HA CYS A 8 12.088 -0.322 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 8 9.970 -0.860 3.881 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.373 -0.065 2.438 1.00 0.00 H new ATOM 113 N PRO A 9 12.608 -2.599 2.155 1.00 0.00 N ATOM 114 CA PRO A 9 13.254 -3.738 1.431 1.00 0.00 C ATOM 115 C PRO A 9 12.361 -4.257 0.305 1.00 0.00 C ATOM 116 O PRO A 9 12.743 -4.306 -0.846 1.00 0.00 O ATOM 117 CB PRO A 9 13.422 -4.812 2.522 1.00 0.00 C ATOM 118 CG PRO A 9 12.520 -4.375 3.628 1.00 0.00 C ATOM 119 CD PRO A 9 12.560 -2.855 3.595 1.00 0.00 C ATOM 0 HA PRO A 9 14.194 -3.452 0.959 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.145 -5.799 2.152 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.457 -4.877 2.858 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.506 -4.746 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.862 -4.758 4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.681 -2.411 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 9 13.432 -2.456 4.113 1.00 0.00 H new ATOM 127 N HIS A 10 11.166 -4.640 0.648 1.00 0.00 N ATOM 128 CA HIS A 10 10.213 -5.159 -0.376 1.00 0.00 C ATOM 129 C HIS A 10 9.619 -3.983 -1.154 1.00 0.00 C ATOM 130 O HIS A 10 8.818 -4.157 -2.051 1.00 0.00 O ATOM 131 CB HIS A 10 9.093 -5.952 0.321 1.00 0.00 C ATOM 132 CG HIS A 10 9.641 -6.611 1.557 1.00 0.00 C ATOM 133 ND1 HIS A 10 9.687 -5.970 2.796 1.00 0.00 N ATOM 134 CD2 HIS A 10 10.173 -7.861 1.759 1.00 0.00 C ATOM 135 CE1 HIS A 10 10.230 -6.843 3.670 1.00 0.00 C ATOM 136 NE2 HIS A 10 10.541 -8.001 3.088 1.00 0.00 N ATOM 0 H HIS A 10 10.803 -4.617 1.601 1.00 0.00 H new ATOM 0 HA HIS A 10 10.737 -5.819 -1.068 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.271 -5.286 0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.689 -6.704 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 10 10.287 -8.619 0.998 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.393 -6.629 4.716 1.00 0.00 H new ATOM 0 HE2 HIS A 10 10.962 -8.819 3.528 1.00 0.00 H new ATOM 144 N LEU A 11 10.007 -2.784 -0.812 1.00 0.00 N ATOM 145 CA LEU A 11 9.472 -1.587 -1.523 1.00 0.00 C ATOM 146 C LEU A 11 10.059 -1.528 -2.933 1.00 0.00 C ATOM 147 O LEU A 11 9.457 -1.004 -3.848 1.00 0.00 O ATOM 148 CB LEU A 11 9.868 -0.330 -0.746 1.00 0.00 C ATOM 149 CG LEU A 11 9.063 0.886 -1.240 1.00 0.00 C ATOM 150 CD1 LEU A 11 8.642 1.755 -0.046 1.00 0.00 C ATOM 151 CD2 LEU A 11 9.923 1.719 -2.199 1.00 0.00 C ATOM 0 H LEU A 11 10.674 -2.581 -0.068 1.00 0.00 H new ATOM 0 HA LEU A 11 8.386 -1.650 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.691 -0.483 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.935 -0.141 -0.868 1.00 0.00 H new ATOM 0 HG LEU A 11 8.172 0.535 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.073 2.613 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.024 1.167 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.530 2.103 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.351 2.579 -2.547 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.817 2.064 -1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.213 1.107 -3.053 1.00 0.00 H new ATOM 163 N ASP A 12 11.230 -2.067 -3.111 1.00 0.00 N ATOM 164 CA ASP A 12 11.865 -2.051 -4.458 1.00 0.00 C ATOM 165 C ASP A 12 11.338 -3.229 -5.279 1.00 0.00 C ATOM 166 O ASP A 12 11.428 -3.245 -6.491 1.00 0.00 O ATOM 167 CB ASP A 12 13.379 -2.183 -4.297 1.00 0.00 C ATOM 168 CG ASP A 12 14.032 -2.328 -5.672 1.00 0.00 C ATOM 169 OD1 ASP A 12 13.446 -1.863 -6.637 1.00 0.00 O ATOM 170 OD2 ASP A 12 15.108 -2.901 -5.739 1.00 0.00 O ATOM 0 H ASP A 12 11.778 -2.520 -2.380 1.00 0.00 H new ATOM 0 HA ASP A 12 11.628 -1.117 -4.967 1.00 0.00 H new ATOM 0 HB2 ASP A 12 13.778 -1.307 -3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 12 13.615 -3.049 -3.678 1.00 0.00 H new ATOM 175 N SER A 13 10.798 -4.220 -4.625 1.00 0.00 N ATOM 176 CA SER A 13 10.274 -5.405 -5.364 1.00 0.00 C ATOM 177 C SER A 13 8.881 -5.101 -5.927 1.00 0.00 C ATOM 178 O SER A 13 8.501 -5.605 -6.964 1.00 0.00 O ATOM 179 CB SER A 13 10.188 -6.598 -4.411 1.00 0.00 C ATOM 180 OG SER A 13 9.913 -7.776 -5.157 1.00 0.00 O ATOM 0 H SER A 13 10.697 -4.261 -3.611 1.00 0.00 H new ATOM 0 HA SER A 13 10.948 -5.638 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 13 11.125 -6.710 -3.865 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.405 -6.431 -3.671 1.00 0.00 H new ATOM 0 HG SER A 13 9.859 -8.543 -4.549 1.00 0.00 H new ATOM 186 N ILE A 14 8.116 -4.288 -5.250 1.00 0.00 N ATOM 187 CA ILE A 14 6.748 -3.966 -5.753 1.00 0.00 C ATOM 188 C ILE A 14 6.844 -3.046 -6.974 1.00 0.00 C ATOM 189 O ILE A 14 5.866 -2.462 -7.395 1.00 0.00 O ATOM 190 CB ILE A 14 5.956 -3.265 -4.653 1.00 0.00 C ATOM 191 CG1 ILE A 14 6.749 -2.063 -4.141 1.00 0.00 C ATOM 192 CG2 ILE A 14 5.713 -4.241 -3.499 1.00 0.00 C ATOM 193 CD1 ILE A 14 5.857 -1.204 -3.238 1.00 0.00 C ATOM 0 H ILE A 14 8.377 -3.834 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 14 6.245 -4.890 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 14 5.000 -2.927 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.625 -2.402 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.112 -1.470 -4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.147 -3.741 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.149 -5.100 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.670 -4.578 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 14 6.425 -0.348 -2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.995 -0.853 -3.806 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.516 -1.799 -2.391 1.00 0.00 H new ATOM 205 N GLY A 15 8.014 -2.918 -7.544 1.00 0.00 N ATOM 206 CA GLY A 15 8.185 -2.041 -8.745 1.00 0.00 C ATOM 207 C GLY A 15 7.278 -0.810 -8.645 1.00 0.00 C ATOM 208 O GLY A 15 6.964 -0.345 -7.567 1.00 0.00 O ATOM 0 H GLY A 15 8.864 -3.385 -7.229 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.226 -1.727 -8.828 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.948 -2.602 -9.649 1.00 0.00 H new ATOM 212 N GLU A 16 6.854 -0.282 -9.766 1.00 0.00 N ATOM 213 CA GLU A 16 5.964 0.918 -9.752 1.00 0.00 C ATOM 214 C GLU A 16 4.723 0.636 -10.604 1.00 0.00 C ATOM 215 O GLU A 16 4.715 0.851 -11.799 1.00 0.00 O ATOM 216 CB GLU A 16 6.720 2.118 -10.334 1.00 0.00 C ATOM 217 CG GLU A 16 5.934 3.411 -10.075 1.00 0.00 C ATOM 218 CD GLU A 16 5.876 3.685 -8.571 1.00 0.00 C ATOM 219 OE1 GLU A 16 6.905 3.565 -7.927 1.00 0.00 O ATOM 220 OE2 GLU A 16 4.804 4.009 -8.090 1.00 0.00 O ATOM 0 H GLU A 16 7.088 -0.633 -10.695 1.00 0.00 H new ATOM 0 HA GLU A 16 5.662 1.140 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.710 2.188 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.867 1.981 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.410 4.246 -10.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.925 3.322 -10.478 1.00 0.00 H new ATOM 227 N VAL A 17 3.673 0.156 -9.993 1.00 0.00 N ATOM 228 CA VAL A 17 2.429 -0.138 -10.760 1.00 0.00 C ATOM 229 C VAL A 17 1.871 1.174 -11.329 1.00 0.00 C ATOM 230 O VAL A 17 2.512 2.204 -11.260 1.00 0.00 O ATOM 231 CB VAL A 17 1.407 -0.799 -9.819 1.00 0.00 C ATOM 232 CG1 VAL A 17 0.596 0.277 -9.089 1.00 0.00 C ATOM 233 CG2 VAL A 17 0.460 -1.712 -10.619 1.00 0.00 C ATOM 0 H VAL A 17 3.624 -0.045 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 17 2.640 -0.818 -11.585 1.00 0.00 H new ATOM 0 HB VAL A 17 1.944 -1.402 -9.086 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.125 -0.199 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.268 0.905 -8.504 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.068 0.891 -9.818 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.258 -2.174 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.072 -1.121 -11.364 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.039 -2.489 -11.118 1.00 0.00 H new ATOM 243 N THR A 18 0.687 1.157 -11.882 1.00 0.00 N ATOM 244 CA THR A 18 0.116 2.417 -12.435 1.00 0.00 C ATOM 245 C THR A 18 -0.197 3.359 -11.275 1.00 0.00 C ATOM 246 O THR A 18 -0.816 2.979 -10.304 1.00 0.00 O ATOM 247 CB THR A 18 -1.166 2.097 -13.221 1.00 0.00 C ATOM 248 OG1 THR A 18 -1.529 0.742 -12.996 1.00 0.00 O ATOM 249 CG2 THR A 18 -0.925 2.313 -14.719 1.00 0.00 C ATOM 0 H THR A 18 0.095 0.331 -11.974 1.00 0.00 H new ATOM 0 HA THR A 18 0.829 2.892 -13.109 1.00 0.00 H new ATOM 0 HB THR A 18 -1.967 2.756 -12.886 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.347 0.535 -13.494 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.837 2.085 -15.271 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.644 3.351 -14.896 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.123 1.657 -15.057 1.00 0.00 H new ATOM 257 N LYS A 19 0.217 4.586 -11.374 1.00 0.00 N ATOM 258 CA LYS A 19 -0.068 5.553 -10.280 1.00 0.00 C ATOM 259 C LYS A 19 -1.581 5.667 -10.170 1.00 0.00 C ATOM 260 O LYS A 19 -2.161 5.425 -9.132 1.00 0.00 O ATOM 261 CB LYS A 19 0.554 6.920 -10.607 1.00 0.00 C ATOM 262 CG LYS A 19 1.390 6.820 -11.892 1.00 0.00 C ATOM 263 CD LYS A 19 2.533 7.843 -11.857 1.00 0.00 C ATOM 264 CE LYS A 19 3.762 7.216 -11.190 1.00 0.00 C ATOM 265 NZ LYS A 19 4.690 8.294 -10.745 1.00 0.00 N ATOM 0 H LYS A 19 0.740 4.963 -12.164 1.00 0.00 H new ATOM 0 HA LYS A 19 0.361 5.215 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.231 7.666 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.181 7.251 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.795 5.813 -11.994 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.758 6.999 -12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.779 8.163 -12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.222 8.732 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.457 6.610 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.269 6.551 -11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.524 7.869 -10.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.991 8.855 -11.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.204 8.912 -10.064 1.00 0.00 H new ATOM 279 N GLU A 20 -2.222 5.999 -11.254 1.00 0.00 N ATOM 280 CA GLU A 20 -3.698 6.086 -11.247 1.00 0.00 C ATOM 281 C GLU A 20 -4.239 4.863 -10.516 1.00 0.00 C ATOM 282 O GLU A 20 -5.227 4.927 -9.820 1.00 0.00 O ATOM 283 CB GLU A 20 -4.208 6.113 -12.685 1.00 0.00 C ATOM 284 CG GLU A 20 -5.708 5.804 -12.724 1.00 0.00 C ATOM 285 CD GLU A 20 -6.151 5.609 -14.175 1.00 0.00 C ATOM 286 OE1 GLU A 20 -5.890 4.547 -14.716 1.00 0.00 O ATOM 287 OE2 GLU A 20 -6.743 6.525 -14.721 1.00 0.00 O ATOM 0 H GLU A 20 -1.780 6.214 -12.148 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.031 6.994 -10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.020 7.092 -13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.664 5.383 -13.285 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.920 4.906 -12.144 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.270 6.619 -12.267 1.00 0.00 H new ATOM 294 N ASP A 21 -3.580 3.748 -10.651 1.00 0.00 N ATOM 295 CA ASP A 21 -4.052 2.532 -9.937 1.00 0.00 C ATOM 296 C ASP A 21 -4.162 2.877 -8.456 1.00 0.00 C ATOM 297 O ASP A 21 -5.091 2.490 -7.780 1.00 0.00 O ATOM 298 CB ASP A 21 -3.056 1.384 -10.139 1.00 0.00 C ATOM 299 CG ASP A 21 -3.774 0.042 -9.972 1.00 0.00 C ATOM 300 OD1 ASP A 21 -3.329 -0.925 -10.568 1.00 0.00 O ATOM 301 OD2 ASP A 21 -4.758 0.005 -9.252 1.00 0.00 O ATOM 0 H ASP A 21 -2.742 3.626 -11.220 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.019 2.213 -10.326 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.610 1.447 -11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.243 1.464 -9.418 1.00 0.00 H new ATOM 306 N LEU A 22 -3.229 3.639 -7.960 1.00 0.00 N ATOM 307 CA LEU A 22 -3.282 4.048 -6.531 1.00 0.00 C ATOM 308 C LEU A 22 -4.356 5.116 -6.388 1.00 0.00 C ATOM 309 O LEU A 22 -4.890 5.350 -5.321 1.00 0.00 O ATOM 310 CB LEU A 22 -1.927 4.617 -6.100 1.00 0.00 C ATOM 311 CG LEU A 22 -0.940 3.472 -5.861 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.896 2.567 -7.094 1.00 0.00 C ATOM 313 CD2 LEU A 22 0.455 4.049 -5.605 1.00 0.00 C ATOM 0 H LEU A 22 -2.430 3.997 -8.484 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.513 3.189 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.542 5.287 -6.868 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.042 5.207 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.261 2.891 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.193 1.752 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.889 2.157 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.575 3.147 -7.960 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.160 3.235 -5.434 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.773 4.629 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.426 4.694 -4.727 1.00 0.00 H new ATOM 325 N LEU A 23 -4.675 5.757 -7.470 1.00 0.00 N ATOM 326 CA LEU A 23 -5.715 6.812 -7.446 1.00 0.00 C ATOM 327 C LEU A 23 -7.093 6.148 -7.441 1.00 0.00 C ATOM 328 O LEU A 23 -7.877 6.356 -6.536 1.00 0.00 O ATOM 329 CB LEU A 23 -5.522 7.695 -8.684 1.00 0.00 C ATOM 330 CG LEU A 23 -4.076 8.226 -8.706 1.00 0.00 C ATOM 331 CD1 LEU A 23 -3.928 9.282 -9.813 1.00 0.00 C ATOM 332 CD2 LEU A 23 -3.730 8.864 -7.352 1.00 0.00 C ATOM 0 H LEU A 23 -4.253 5.592 -8.384 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.636 7.432 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.726 7.123 -9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.227 8.526 -8.666 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.398 7.394 -8.899 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.904 9.655 -9.825 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.162 8.833 -10.778 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.613 10.108 -9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.706 9.237 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.412 9.691 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.826 8.118 -6.563 1.00 0.00 H new ATOM 344 N LEU A 24 -7.400 5.324 -8.412 1.00 0.00 N ATOM 345 CA LEU A 24 -8.725 4.653 -8.379 1.00 0.00 C ATOM 346 C LEU A 24 -8.809 3.869 -7.084 1.00 0.00 C ATOM 347 O LEU A 24 -9.801 3.911 -6.405 1.00 0.00 O ATOM 348 CB LEU A 24 -8.914 3.710 -9.574 1.00 0.00 C ATOM 349 CG LEU A 24 -7.897 2.558 -9.547 1.00 0.00 C ATOM 350 CD1 LEU A 24 -8.520 1.319 -8.889 1.00 0.00 C ATOM 351 CD2 LEU A 24 -7.506 2.202 -10.985 1.00 0.00 C ATOM 0 H LEU A 24 -6.803 5.094 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.513 5.404 -8.437 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.926 3.304 -9.563 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.806 4.271 -10.502 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.021 2.871 -8.978 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.791 0.509 -8.875 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.815 1.559 -7.868 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.397 1.008 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.784 1.385 -10.974 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.394 1.895 -11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.061 3.073 -11.467 1.00 0.00 H new ATOM 363 N LYS A 25 -7.763 3.177 -6.712 1.00 0.00 N ATOM 364 CA LYS A 25 -7.807 2.429 -5.427 1.00 0.00 C ATOM 365 C LYS A 25 -8.341 3.386 -4.361 1.00 0.00 C ATOM 366 O LYS A 25 -9.137 3.027 -3.518 1.00 0.00 O ATOM 367 CB LYS A 25 -6.395 1.958 -5.062 1.00 0.00 C ATOM 368 CG LYS A 25 -6.058 0.681 -5.843 1.00 0.00 C ATOM 369 CD LYS A 25 -4.557 0.396 -5.737 1.00 0.00 C ATOM 370 CE LYS A 25 -4.295 -1.088 -6.000 1.00 0.00 C ATOM 371 NZ LYS A 25 -2.836 -1.303 -6.217 1.00 0.00 N ATOM 0 H LYS A 25 -6.892 3.100 -7.237 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.449 1.552 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.670 2.739 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.330 1.768 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.627 -0.160 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.344 0.796 -6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.010 1.005 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.194 0.669 -4.746 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.640 -1.685 -5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.856 -1.418 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.684 -1.735 -7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.340 -0.390 -6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.465 -1.935 -5.479 1.00 0.00 H new ATOM 385 N SER A 26 -7.918 4.620 -4.427 1.00 0.00 N ATOM 386 CA SER A 26 -8.393 5.646 -3.464 1.00 0.00 C ATOM 387 C SER A 26 -9.828 6.035 -3.834 1.00 0.00 C ATOM 388 O SER A 26 -10.356 7.021 -3.359 1.00 0.00 O ATOM 389 CB SER A 26 -7.493 6.882 -3.568 1.00 0.00 C ATOM 390 OG SER A 26 -7.648 7.681 -2.402 1.00 0.00 O ATOM 0 H SER A 26 -7.253 4.962 -5.120 1.00 0.00 H new ATOM 0 HA SER A 26 -8.362 5.254 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.452 6.579 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.752 7.460 -4.455 1.00 0.00 H new ATOM 0 HG SER A 26 -8.602 7.821 -2.226 1.00 0.00 H new ATOM 396 N LYS A 27 -10.449 5.287 -4.708 1.00 0.00 N ATOM 397 CA LYS A 27 -11.830 5.638 -5.140 1.00 0.00 C ATOM 398 C LYS A 27 -12.707 5.941 -3.921 1.00 0.00 C ATOM 399 O LYS A 27 -13.367 6.960 -3.879 1.00 0.00 O ATOM 400 CB LYS A 27 -12.445 4.498 -5.971 1.00 0.00 C ATOM 401 CG LYS A 27 -12.007 3.125 -5.433 1.00 0.00 C ATOM 402 CD LYS A 27 -13.164 2.132 -5.560 1.00 0.00 C ATOM 403 CE LYS A 27 -13.471 1.909 -7.041 1.00 0.00 C ATOM 404 NZ LYS A 27 -14.590 0.933 -7.176 1.00 0.00 N ATOM 0 H LYS A 27 -10.058 4.450 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.779 6.530 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.532 4.572 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.141 4.598 -7.013 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.142 2.764 -5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.702 3.212 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.903 1.187 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.046 2.515 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.739 2.854 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.585 1.536 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.799 0.781 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.317 0.029 -6.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.436 1.306 -6.700 1.00 0.00 H new ATOM 418 N GLY A 28 -12.718 5.097 -2.919 1.00 0.00 N ATOM 419 CA GLY A 28 -13.554 5.403 -1.728 1.00 0.00 C ATOM 420 C GLY A 28 -14.184 4.137 -1.168 1.00 0.00 C ATOM 421 O GLY A 28 -15.046 4.202 -0.321 1.00 0.00 O ATOM 0 H GLY A 28 -12.192 4.224 -2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.942 5.879 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.335 6.113 -2.000 1.00 0.00 H new ATOM 425 N THR A 29 -13.787 2.986 -1.626 1.00 0.00 N ATOM 426 CA THR A 29 -14.407 1.752 -1.080 1.00 0.00 C ATOM 427 C THR A 29 -13.517 0.524 -1.333 1.00 0.00 C ATOM 428 O THR A 29 -12.839 0.426 -2.337 1.00 0.00 O ATOM 429 CB THR A 29 -15.764 1.552 -1.756 1.00 0.00 C ATOM 430 OG1 THR A 29 -15.886 2.461 -2.841 1.00 0.00 O ATOM 431 CG2 THR A 29 -16.901 1.797 -0.758 1.00 0.00 C ATOM 0 H THR A 29 -13.073 2.847 -2.341 1.00 0.00 H new ATOM 0 HA THR A 29 -14.528 1.861 -0.002 1.00 0.00 H new ATOM 0 HB THR A 29 -15.830 0.526 -2.119 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.754 2.335 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 29 -17.860 1.650 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 29 -16.813 1.097 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.840 2.818 -0.381 1.00 0.00 H new ATOM 439 N CYS A 30 -13.557 -0.429 -0.438 1.00 0.00 N ATOM 440 CA CYS A 30 -12.761 -1.684 -0.621 1.00 0.00 C ATOM 441 C CYS A 30 -13.294 -2.400 -1.863 1.00 0.00 C ATOM 442 O CYS A 30 -14.487 -2.455 -2.084 1.00 0.00 O ATOM 443 CB CYS A 30 -12.937 -2.593 0.607 1.00 0.00 C ATOM 444 SG CYS A 30 -12.061 -4.162 0.345 1.00 0.00 S ATOM 0 H CYS A 30 -14.110 -0.393 0.418 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.703 -1.449 -0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -12.552 -2.095 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -13.996 -2.782 0.781 1.00 0.00 H new ATOM 449 N GLN A 31 -12.437 -2.939 -2.684 1.00 0.00 N ATOM 450 CA GLN A 31 -12.941 -3.629 -3.907 1.00 0.00 C ATOM 451 C GLN A 31 -13.490 -5.007 -3.540 1.00 0.00 C ATOM 452 O GLN A 31 -14.131 -5.658 -4.341 1.00 0.00 O ATOM 453 CB GLN A 31 -11.816 -3.779 -4.934 1.00 0.00 C ATOM 454 CG GLN A 31 -10.616 -4.508 -4.318 1.00 0.00 C ATOM 455 CD GLN A 31 -10.862 -6.022 -4.300 1.00 0.00 C ATOM 456 OE1 GLN A 31 -10.095 -6.763 -3.717 1.00 0.00 O ATOM 457 NE2 GLN A 31 -11.901 -6.520 -4.915 1.00 0.00 N ATOM 0 H GLN A 31 -11.424 -2.933 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.739 -3.028 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.179 -4.332 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.508 -2.796 -5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.715 -4.286 -4.890 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.446 -4.149 -3.303 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -12.548 -5.902 -5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.066 -7.527 -4.905 1.00 0.00 H new ATOM 466 N SER A 32 -13.247 -5.459 -2.340 1.00 0.00 N ATOM 467 CA SER A 32 -13.759 -6.798 -1.927 1.00 0.00 C ATOM 468 C SER A 32 -14.818 -6.627 -0.836 1.00 0.00 C ATOM 469 O SER A 32 -15.573 -7.534 -0.547 1.00 0.00 O ATOM 470 CB SER A 32 -12.603 -7.640 -1.389 1.00 0.00 C ATOM 471 OG SER A 32 -11.695 -7.921 -2.445 1.00 0.00 O ATOM 0 H SER A 32 -12.716 -4.959 -1.627 1.00 0.00 H new ATOM 0 HA SER A 32 -14.204 -7.298 -2.787 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.092 -7.107 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.982 -8.569 -0.963 1.00 0.00 H new ATOM 0 HG SER A 32 -10.937 -7.302 -2.398 1.00 0.00 H new ATOM 477 N CYS A 33 -14.882 -5.470 -0.227 1.00 0.00 N ATOM 478 CA CYS A 33 -15.896 -5.239 0.846 1.00 0.00 C ATOM 479 C CYS A 33 -16.709 -3.984 0.530 1.00 0.00 C ATOM 480 O CYS A 33 -17.814 -3.819 1.006 1.00 0.00 O ATOM 481 CB CYS A 33 -15.189 -5.054 2.192 1.00 0.00 C ATOM 482 SG CYS A 33 -14.079 -6.446 2.483 1.00 0.00 S ATOM 0 H CYS A 33 -14.275 -4.675 -0.427 1.00 0.00 H new ATOM 0 HA CYS A 33 -16.562 -6.101 0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -14.627 -4.120 2.195 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -15.923 -4.986 2.995 1.00 0.00 H new ATOM 487 N GLY A 34 -16.175 -3.085 -0.256 1.00 0.00 N ATOM 488 CA GLY A 34 -16.940 -1.845 -0.567 1.00 0.00 C ATOM 489 C GLY A 34 -17.384 -1.215 0.751 1.00 0.00 C ATOM 490 O GLY A 34 -18.551 -1.206 1.087 1.00 0.00 O ATOM 0 H GLY A 34 -15.255 -3.155 -0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.321 -1.148 -1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -17.805 -2.078 -1.188 1.00 0.00 H new ATOM 494 N VAL A 35 -16.446 -0.726 1.517 1.00 0.00 N ATOM 495 CA VAL A 35 -16.784 -0.135 2.844 1.00 0.00 C ATOM 496 C VAL A 35 -16.685 1.399 2.835 1.00 0.00 C ATOM 497 O VAL A 35 -17.563 2.068 3.340 1.00 0.00 O ATOM 498 CB VAL A 35 -15.826 -0.720 3.886 1.00 0.00 C ATOM 499 CG1 VAL A 35 -16.049 -2.237 3.971 1.00 0.00 C ATOM 500 CG2 VAL A 35 -14.380 -0.439 3.467 1.00 0.00 C ATOM 0 H VAL A 35 -15.454 -0.711 1.279 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.817 -0.383 3.087 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.014 -0.263 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -15.371 -2.663 4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.079 -2.437 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.855 -2.688 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.699 -0.856 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.186 -0.899 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.225 0.637 3.396 1.00 0.00 H new ATOM 510 N THR A 36 -15.643 1.972 2.280 1.00 0.00 N ATOM 511 CA THR A 36 -15.534 3.463 2.275 1.00 0.00 C ATOM 512 C THR A 36 -14.105 3.869 1.921 1.00 0.00 C ATOM 513 O THR A 36 -13.271 3.040 1.628 1.00 0.00 O ATOM 514 CB THR A 36 -15.887 4.035 3.658 1.00 0.00 C ATOM 515 OG1 THR A 36 -15.357 5.349 3.767 1.00 0.00 O ATOM 516 CG2 THR A 36 -15.288 3.157 4.764 1.00 0.00 C ATOM 0 H THR A 36 -14.871 1.476 1.835 1.00 0.00 H new ATOM 0 HA THR A 36 -16.231 3.859 1.536 1.00 0.00 H new ATOM 0 HB THR A 36 -16.971 4.057 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.580 5.720 4.646 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.545 3.573 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.689 2.147 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.204 3.127 4.657 1.00 0.00 H new ATOM 524 N GLY A 37 -13.823 5.146 1.933 1.00 0.00 N ATOM 525 CA GLY A 37 -12.456 5.624 1.581 1.00 0.00 C ATOM 526 C GLY A 37 -11.595 5.785 2.834 1.00 0.00 C ATOM 527 O GLY A 37 -10.617 5.090 3.017 1.00 0.00 O ATOM 0 H GLY A 37 -14.487 5.882 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.984 4.917 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.523 6.577 1.056 1.00 0.00 H new ATOM 531 N PRO A 38 -11.933 6.712 3.683 1.00 0.00 N ATOM 532 CA PRO A 38 -11.157 6.963 4.915 1.00 0.00 C ATOM 533 C PRO A 38 -10.745 5.668 5.613 1.00 0.00 C ATOM 534 O PRO A 38 -11.539 4.772 5.818 1.00 0.00 O ATOM 535 CB PRO A 38 -12.088 7.792 5.808 1.00 0.00 C ATOM 536 CG PRO A 38 -13.350 8.029 5.021 1.00 0.00 C ATOM 537 CD PRO A 38 -13.075 7.619 3.572 1.00 0.00 C ATOM 0 HA PRO A 38 -10.223 7.479 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.305 7.263 6.736 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.620 8.738 6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.174 7.447 5.434 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.643 9.078 5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.937 7.125 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.843 8.482 2.948 1.00 0.00 H new ATOM 545 N ASN A 39 -9.497 5.577 5.966 1.00 0.00 N ATOM 546 CA ASN A 39 -8.970 4.363 6.652 1.00 0.00 C ATOM 547 C ASN A 39 -8.976 3.178 5.682 1.00 0.00 C ATOM 548 O ASN A 39 -9.182 2.046 6.070 1.00 0.00 O ATOM 549 CB ASN A 39 -9.810 4.040 7.904 1.00 0.00 C ATOM 550 CG ASN A 39 -9.060 4.494 9.159 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.396 5.618 9.138 1.00 0.00 O flip ATOM 552 ND2 ASN A 39 -9.077 3.819 10.169 1.00 0.00 N flip ATOM 0 H ASN A 39 -8.803 6.307 5.806 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.946 4.555 6.972 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.776 4.541 7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.009 2.969 7.954 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.595 2.941 10.187 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.573 4.131 10.999 1.00 0.00 H new ATOM 559 N LEU A 40 -8.725 3.423 4.423 1.00 0.00 N ATOM 560 CA LEU A 40 -8.690 2.300 3.445 1.00 0.00 C ATOM 561 C LEU A 40 -7.270 1.733 3.413 1.00 0.00 C ATOM 562 O LEU A 40 -6.374 2.233 4.064 1.00 0.00 O ATOM 563 CB LEU A 40 -9.047 2.804 2.032 1.00 0.00 C ATOM 564 CG LEU A 40 -10.534 2.593 1.699 1.00 0.00 C ATOM 565 CD1 LEU A 40 -10.732 2.848 0.202 1.00 0.00 C ATOM 566 CD2 LEU A 40 -10.965 1.151 2.010 1.00 0.00 C ATOM 0 H LEU A 40 -8.544 4.348 4.032 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.411 1.540 3.745 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.806 3.864 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.434 2.283 1.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.134 3.276 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.781 2.704 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.437 3.870 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.119 2.152 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.020 1.026 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.371 0.457 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.810 0.945 3.069 1.00 0.00 H new ATOM 578 N TRP A 41 -7.058 0.707 2.647 1.00 0.00 N ATOM 579 CA TRP A 41 -5.695 0.115 2.546 1.00 0.00 C ATOM 580 C TRP A 41 -5.627 -0.748 1.286 1.00 0.00 C ATOM 581 O TRP A 41 -6.058 -1.884 1.268 1.00 0.00 O ATOM 582 CB TRP A 41 -5.398 -0.727 3.797 1.00 0.00 C ATOM 583 CG TRP A 41 -4.165 -0.204 4.472 1.00 0.00 C ATOM 584 CD1 TRP A 41 -2.987 0.035 3.851 1.00 0.00 C ATOM 585 CD2 TRP A 41 -3.967 0.152 5.873 1.00 0.00 C ATOM 586 NE1 TRP A 41 -2.079 0.511 4.780 1.00 0.00 N ATOM 587 CE2 TRP A 41 -2.635 0.602 6.040 1.00 0.00 C ATOM 588 CE3 TRP A 41 -4.803 0.129 7.004 1.00 0.00 C ATOM 589 CZ2 TRP A 41 -2.152 1.012 7.284 1.00 0.00 C ATOM 590 CZ3 TRP A 41 -4.320 0.543 8.257 1.00 0.00 C ATOM 591 CH2 TRP A 41 -2.996 0.983 8.396 1.00 0.00 C ATOM 0 H TRP A 41 -7.772 0.248 2.082 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.947 0.905 2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -6.244 -0.689 4.483 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.258 -1.772 3.520 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.788 -0.120 2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.116 0.764 4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.824 -0.210 6.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.131 1.350 7.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.972 0.522 9.118 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.630 1.299 9.362 1.00 0.00 H new ATOM 602 N ALA A 42 -5.111 -0.200 0.219 1.00 0.00 N ATOM 603 CA ALA A 42 -5.038 -0.965 -1.052 1.00 0.00 C ATOM 604 C ALA A 42 -3.667 -1.616 -1.222 1.00 0.00 C ATOM 605 O ALA A 42 -2.642 -1.009 -0.996 1.00 0.00 O ATOM 606 CB ALA A 42 -5.284 -0.009 -2.218 1.00 0.00 C ATOM 0 H ALA A 42 -4.737 0.748 0.176 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.794 -1.750 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.233 -0.560 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.271 0.443 -2.116 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.524 0.773 -2.214 1.00 0.00 H new ATOM 612 N CYS A 43 -3.649 -2.848 -1.650 1.00 0.00 N ATOM 613 CA CYS A 43 -2.355 -3.546 -1.872 1.00 0.00 C ATOM 614 C CYS A 43 -1.547 -2.744 -2.891 1.00 0.00 C ATOM 615 O CYS A 43 -2.109 -2.055 -3.720 1.00 0.00 O ATOM 616 CB CYS A 43 -2.635 -4.943 -2.421 1.00 0.00 C ATOM 617 SG CYS A 43 -1.233 -6.027 -2.068 1.00 0.00 S ATOM 0 H CYS A 43 -4.480 -3.403 -1.856 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.797 -3.630 -0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.542 -5.347 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.808 -4.894 -3.496 1.00 0.00 H new ATOM 622 N LEU A 44 -0.240 -2.802 -2.842 1.00 0.00 N ATOM 623 CA LEU A 44 0.557 -2.007 -3.823 1.00 0.00 C ATOM 624 C LEU A 44 1.711 -2.844 -4.398 1.00 0.00 C ATOM 625 O LEU A 44 2.813 -2.362 -4.551 1.00 0.00 O ATOM 626 CB LEU A 44 1.108 -0.756 -3.119 1.00 0.00 C ATOM 627 CG LEU A 44 1.947 0.114 -4.082 1.00 0.00 C ATOM 628 CD1 LEU A 44 1.345 0.116 -5.491 1.00 0.00 C ATOM 629 CD2 LEU A 44 1.979 1.553 -3.561 1.00 0.00 C ATOM 0 H LEU A 44 0.301 -3.355 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.087 -1.712 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.281 -0.167 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.722 -1.056 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 44 2.953 -0.302 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.956 0.736 -6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.318 -0.903 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.332 0.516 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.570 2.172 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.963 1.943 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.427 1.570 -2.568 1.00 0.00 H new ATOM 641 N GLN A 45 1.475 -4.087 -4.738 1.00 0.00 N ATOM 642 CA GLN A 45 2.581 -4.908 -5.322 1.00 0.00 C ATOM 643 C GLN A 45 2.576 -4.737 -6.846 1.00 0.00 C ATOM 644 O GLN A 45 1.535 -4.649 -7.466 1.00 0.00 O ATOM 645 CB GLN A 45 2.402 -6.391 -4.964 1.00 0.00 C ATOM 646 CG GLN A 45 1.547 -6.525 -3.708 1.00 0.00 C ATOM 647 CD GLN A 45 2.369 -6.110 -2.486 1.00 0.00 C ATOM 648 OE1 GLN A 45 2.302 -4.978 -2.050 1.00 0.00 O ATOM 649 NE2 GLN A 45 3.147 -6.986 -1.910 1.00 0.00 N ATOM 0 H GLN A 45 0.579 -4.563 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 45 3.533 -4.570 -4.912 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.931 -6.919 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.375 -6.855 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.658 -5.899 -3.791 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.204 -7.553 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.203 -7.936 -2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.698 -6.720 -1.094 1.00 0.00 H new ATOM 658 N VAL A 46 3.732 -4.676 -7.451 1.00 0.00 N ATOM 659 CA VAL A 46 3.799 -4.495 -8.935 1.00 0.00 C ATOM 660 C VAL A 46 2.830 -5.449 -9.645 1.00 0.00 C ATOM 661 O VAL A 46 2.631 -5.349 -10.839 1.00 0.00 O ATOM 662 CB VAL A 46 5.223 -4.779 -9.426 1.00 0.00 C ATOM 663 CG1 VAL A 46 5.701 -6.125 -8.876 1.00 0.00 C ATOM 664 CG2 VAL A 46 5.240 -4.824 -10.958 1.00 0.00 C ATOM 0 H VAL A 46 4.636 -4.744 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 46 3.519 -3.467 -9.166 1.00 0.00 H new ATOM 0 HB VAL A 46 5.886 -3.987 -9.076 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.714 -6.323 -9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.694 -6.096 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.036 -6.916 -9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.253 -5.026 -11.305 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.573 -5.613 -11.306 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.905 -3.865 -11.354 1.00 0.00 H new ATOM 674 N ALA A 47 2.236 -6.378 -8.942 1.00 0.00 N ATOM 675 CA ALA A 47 1.302 -7.327 -9.623 1.00 0.00 C ATOM 676 C ALA A 47 0.066 -7.587 -8.758 1.00 0.00 C ATOM 677 O ALA A 47 -0.429 -8.695 -8.697 1.00 0.00 O ATOM 678 CB ALA A 47 2.027 -8.652 -9.875 1.00 0.00 C ATOM 0 H ALA A 47 2.354 -6.521 -7.939 1.00 0.00 H new ATOM 0 HA ALA A 47 0.982 -6.885 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.351 -9.348 -10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.896 -8.476 -10.509 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.351 -9.076 -8.925 1.00 0.00 H new ATOM 684 N CYS A 48 -0.447 -6.585 -8.096 1.00 0.00 N ATOM 685 CA CYS A 48 -1.658 -6.807 -7.252 1.00 0.00 C ATOM 686 C CYS A 48 -2.537 -5.555 -7.236 1.00 0.00 C ATOM 687 O CYS A 48 -2.494 -4.774 -6.306 1.00 0.00 O ATOM 688 CB CYS A 48 -1.230 -7.127 -5.825 1.00 0.00 C ATOM 689 SG CYS A 48 -2.604 -7.928 -4.964 1.00 0.00 S ATOM 0 H CYS A 48 -0.085 -5.631 -8.102 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.226 -7.638 -7.671 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.357 -7.780 -5.831 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -0.941 -6.214 -5.305 1.00 0.00 H new ATOM 694 N PRO A 49 -3.345 -5.371 -8.244 1.00 0.00 N ATOM 695 CA PRO A 49 -4.260 -4.208 -8.328 1.00 0.00 C ATOM 696 C PRO A 49 -5.605 -4.488 -7.644 1.00 0.00 C ATOM 697 O PRO A 49 -6.475 -5.121 -8.207 1.00 0.00 O ATOM 698 CB PRO A 49 -4.448 -4.040 -9.835 1.00 0.00 C ATOM 699 CG PRO A 49 -4.336 -5.427 -10.397 1.00 0.00 C ATOM 700 CD PRO A 49 -3.473 -6.243 -9.421 1.00 0.00 C ATOM 0 HA PRO A 49 -3.866 -3.323 -7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.417 -3.598 -10.065 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.689 -3.381 -10.256 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.322 -5.878 -10.509 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.881 -5.406 -11.387 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.947 -7.191 -9.166 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.499 -6.479 -9.851 1.00 0.00 H new ATOM 708 N TYR A 50 -5.778 -4.009 -6.440 1.00 0.00 N ATOM 709 CA TYR A 50 -7.057 -4.229 -5.704 1.00 0.00 C ATOM 710 C TYR A 50 -7.019 -3.381 -4.433 1.00 0.00 C ATOM 711 O TYR A 50 -6.021 -3.346 -3.741 1.00 0.00 O ATOM 712 CB TYR A 50 -7.193 -5.707 -5.316 1.00 0.00 C ATOM 713 CG TYR A 50 -7.571 -6.529 -6.527 1.00 0.00 C ATOM 714 CD1 TYR A 50 -6.691 -7.505 -7.014 1.00 0.00 C ATOM 715 CD2 TYR A 50 -8.802 -6.319 -7.163 1.00 0.00 C ATOM 716 CE1 TYR A 50 -7.040 -8.266 -8.135 1.00 0.00 C ATOM 717 CE2 TYR A 50 -9.149 -7.082 -8.285 1.00 0.00 C ATOM 718 CZ TYR A 50 -8.269 -8.055 -8.771 1.00 0.00 C ATOM 719 OH TYR A 50 -8.613 -8.807 -9.876 1.00 0.00 O ATOM 0 H TYR A 50 -5.079 -3.469 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 50 -7.902 -3.951 -6.334 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.253 -6.070 -4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.950 -5.819 -4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.743 -7.670 -6.524 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -9.483 -5.569 -6.788 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.360 -9.017 -8.510 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -10.097 -6.919 -8.776 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.499 -8.534 -10.194 1.00 0.00 H new ATOM 729 N VAL A 51 -8.083 -2.689 -4.114 1.00 0.00 N ATOM 730 CA VAL A 51 -8.065 -1.847 -2.883 1.00 0.00 C ATOM 731 C VAL A 51 -8.817 -2.554 -1.755 1.00 0.00 C ATOM 732 O VAL A 51 -10.026 -2.666 -1.766 1.00 0.00 O ATOM 733 CB VAL A 51 -8.688 -0.479 -3.177 1.00 0.00 C ATOM 734 CG1 VAL A 51 -9.902 -0.651 -4.089 1.00 0.00 C ATOM 735 CG2 VAL A 51 -9.111 0.202 -1.870 1.00 0.00 C ATOM 0 H VAL A 51 -8.953 -2.671 -4.646 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.033 -1.695 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.948 0.147 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.343 0.324 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.591 -1.115 -5.025 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.640 -1.285 -3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.552 1.174 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.844 -0.420 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.238 0.338 -1.231 1.00 0.00 H new ATOM 745 N GLY A 52 -8.095 -3.031 -0.779 1.00 0.00 N ATOM 746 CA GLY A 52 -8.734 -3.741 0.361 1.00 0.00 C ATOM 747 C GLY A 52 -9.203 -2.732 1.410 1.00 0.00 C ATOM 748 O GLY A 52 -9.156 -1.536 1.201 1.00 0.00 O ATOM 0 H GLY A 52 -7.079 -2.958 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.581 -4.328 0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.026 -4.440 0.807 1.00 0.00 H new ATOM 752 N CYS A 53 -9.659 -3.209 2.537 1.00 0.00 N ATOM 753 CA CYS A 53 -10.136 -2.288 3.605 1.00 0.00 C ATOM 754 C CYS A 53 -9.046 -2.085 4.630 1.00 0.00 C ATOM 755 O CYS A 53 -8.041 -2.768 4.662 1.00 0.00 O ATOM 756 CB CYS A 53 -11.305 -2.911 4.390 1.00 0.00 C ATOM 757 SG CYS A 53 -11.324 -4.704 4.151 1.00 0.00 S ATOM 0 H CYS A 53 -9.721 -4.202 2.763 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.431 -1.361 3.113 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.207 -2.678 5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.249 -2.481 4.055 1.00 0.00 H new ATOM 762 N GLY A 54 -9.314 -1.195 5.520 1.00 0.00 N ATOM 763 CA GLY A 54 -8.413 -0.942 6.656 1.00 0.00 C ATOM 764 C GLY A 54 -9.274 -1.248 7.868 1.00 0.00 C ATOM 765 O GLY A 54 -10.480 -1.291 7.745 1.00 0.00 O ATOM 0 H GLY A 54 -10.150 -0.611 5.507 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.531 -1.582 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.059 0.089 6.665 1.00 0.00 H new ATOM 769 N GLU A 55 -8.712 -1.494 9.011 1.00 0.00 N ATOM 770 CA GLU A 55 -9.571 -1.820 10.194 1.00 0.00 C ATOM 771 C GLU A 55 -10.958 -1.225 9.997 1.00 0.00 C ATOM 772 O GLU A 55 -11.957 -1.817 10.351 1.00 0.00 O ATOM 773 CB GLU A 55 -8.959 -1.227 11.452 1.00 0.00 C ATOM 774 CG GLU A 55 -9.115 0.296 11.442 1.00 0.00 C ATOM 775 CD GLU A 55 -8.159 0.916 12.463 1.00 0.00 C ATOM 776 OE1 GLU A 55 -8.056 2.131 12.488 1.00 0.00 O ATOM 777 OE2 GLU A 55 -7.545 0.164 13.202 1.00 0.00 O ATOM 0 H GLU A 55 -7.707 -1.486 9.186 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.641 -2.903 10.293 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.444 -1.645 12.334 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.904 -1.492 11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.904 0.687 10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.143 0.568 11.680 1.00 0.00 H new ATOM 784 N SER A 56 -11.010 -0.066 9.406 1.00 0.00 N ATOM 785 CA SER A 56 -12.318 0.589 9.130 1.00 0.00 C ATOM 786 C SER A 56 -13.380 -0.494 8.933 1.00 0.00 C ATOM 787 O SER A 56 -14.489 -0.389 9.419 1.00 0.00 O ATOM 788 CB SER A 56 -12.191 1.420 7.852 1.00 0.00 C ATOM 789 OG SER A 56 -12.273 2.801 8.180 1.00 0.00 O ATOM 0 H SER A 56 -10.193 0.462 9.099 1.00 0.00 H new ATOM 0 HA SER A 56 -12.603 1.234 9.961 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.243 1.207 7.359 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.982 1.153 7.151 1.00 0.00 H new ATOM 0 HG SER A 56 -12.525 3.312 7.383 1.00 0.00 H new ATOM 795 N PHE A 57 -13.034 -1.545 8.231 1.00 0.00 N ATOM 796 CA PHE A 57 -14.009 -2.653 8.009 1.00 0.00 C ATOM 797 C PHE A 57 -13.434 -3.953 8.558 1.00 0.00 C ATOM 798 O PHE A 57 -13.585 -4.280 9.719 1.00 0.00 O ATOM 799 CB PHE A 57 -14.268 -2.831 6.518 1.00 0.00 C ATOM 800 CG PHE A 57 -15.191 -4.012 6.310 1.00 0.00 C ATOM 801 CD1 PHE A 57 -16.476 -4.006 6.871 1.00 0.00 C ATOM 802 CD2 PHE A 57 -14.764 -5.116 5.561 1.00 0.00 C ATOM 803 CE1 PHE A 57 -17.329 -5.101 6.683 1.00 0.00 C ATOM 804 CE2 PHE A 57 -15.618 -6.210 5.373 1.00 0.00 C ATOM 805 CZ PHE A 57 -16.899 -6.202 5.934 1.00 0.00 C ATOM 0 H PHE A 57 -12.118 -1.682 7.803 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.941 -2.407 8.517 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.716 -1.927 6.104 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.328 -2.992 5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -16.808 -3.156 7.449 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.775 -5.124 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -18.318 -5.096 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -15.287 -7.060 4.795 1.00 0.00 H new ATOM 0 HZ PHE A 57 -17.557 -7.046 5.789 1.00 0.00 H new ATOM 815 N ALA A 58 -12.770 -4.686 7.716 1.00 0.00 N ATOM 816 CA ALA A 58 -12.156 -5.977 8.144 1.00 0.00 C ATOM 817 C ALA A 58 -10.651 -5.886 7.916 1.00 0.00 C ATOM 818 O ALA A 58 -9.902 -6.795 8.212 1.00 0.00 O ATOM 819 CB ALA A 58 -12.734 -7.122 7.309 1.00 0.00 C ATOM 0 H ALA A 58 -12.622 -4.446 6.736 1.00 0.00 H new ATOM 0 HA ALA A 58 -12.368 -6.166 9.196 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.285 -8.064 7.623 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.813 -7.169 7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.516 -6.950 6.255 1.00 0.00 H new ATOM 825 N ASP A 59 -10.214 -4.779 7.387 1.00 0.00 N ATOM 826 CA ASP A 59 -8.766 -4.583 7.124 1.00 0.00 C ATOM 827 C ASP A 59 -8.219 -5.725 6.268 1.00 0.00 C ATOM 828 O ASP A 59 -7.361 -6.469 6.700 1.00 0.00 O ATOM 829 CB ASP A 59 -7.996 -4.524 8.446 1.00 0.00 C ATOM 830 CG ASP A 59 -6.500 -4.409 8.160 1.00 0.00 C ATOM 831 OD1 ASP A 59 -6.058 -3.313 7.856 1.00 0.00 O ATOM 832 OD2 ASP A 59 -5.820 -5.414 8.252 1.00 0.00 O ATOM 0 H ASP A 59 -10.808 -3.993 7.123 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.638 -3.643 6.587 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.331 -3.671 9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.197 -5.418 9.036 1.00 0.00 H new ATOM 837 N HIS A 60 -8.676 -5.858 5.046 1.00 0.00 N ATOM 838 CA HIS A 60 -8.128 -6.940 4.177 1.00 0.00 C ATOM 839 C HIS A 60 -6.610 -6.877 4.306 1.00 0.00 C ATOM 840 O HIS A 60 -5.904 -7.832 4.081 1.00 0.00 O ATOM 841 CB HIS A 60 -8.522 -6.690 2.709 1.00 0.00 C ATOM 842 CG HIS A 60 -9.576 -7.672 2.266 1.00 0.00 C ATOM 843 ND1 HIS A 60 -10.868 -7.283 1.905 1.00 0.00 N ATOM 844 CD2 HIS A 60 -9.538 -9.036 2.109 1.00 0.00 C ATOM 845 CE1 HIS A 60 -11.535 -8.402 1.559 1.00 0.00 C ATOM 846 NE2 HIS A 60 -10.771 -9.488 1.666 1.00 0.00 N ATOM 0 H HIS A 60 -9.394 -5.272 4.620 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.518 -7.913 4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.895 -5.672 2.596 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -7.643 -6.780 2.071 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.678 -9.661 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.565 -8.416 1.234 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.038 -10.452 1.464 1.00 0.00 H new ATOM 854 N SER A 61 -6.120 -5.733 4.682 1.00 0.00 N ATOM 855 CA SER A 61 -4.654 -5.545 4.846 1.00 0.00 C ATOM 856 C SER A 61 -4.042 -6.739 5.581 1.00 0.00 C ATOM 857 O SER A 61 -2.903 -7.094 5.352 1.00 0.00 O ATOM 858 CB SER A 61 -4.418 -4.266 5.655 1.00 0.00 C ATOM 859 OG SER A 61 -3.205 -3.659 5.232 1.00 0.00 O ATOM 0 H SER A 61 -6.682 -4.906 4.886 1.00 0.00 H new ATOM 0 HA SER A 61 -4.183 -5.467 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.251 -3.576 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 61 -4.370 -4.499 6.719 1.00 0.00 H new ATOM 0 HG SER A 61 -2.530 -3.751 5.937 1.00 0.00 H new ATOM 865 N THR A 62 -4.773 -7.359 6.467 1.00 0.00 N ATOM 866 CA THR A 62 -4.201 -8.513 7.207 1.00 0.00 C ATOM 867 C THR A 62 -4.449 -9.807 6.446 1.00 0.00 C ATOM 868 O THR A 62 -3.531 -10.458 6.001 1.00 0.00 O ATOM 869 CB THR A 62 -4.866 -8.643 8.576 1.00 0.00 C ATOM 870 OG1 THR A 62 -5.699 -7.521 8.813 1.00 0.00 O ATOM 871 CG2 THR A 62 -3.801 -8.739 9.673 1.00 0.00 C ATOM 0 H THR A 62 -5.734 -7.117 6.707 1.00 0.00 H new ATOM 0 HA THR A 62 -3.131 -8.340 7.318 1.00 0.00 H new ATOM 0 HB THR A 62 -5.471 -9.550 8.590 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.199 -6.698 8.630 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.287 -8.831 10.644 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.174 -9.613 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.183 -7.841 9.660 1.00 0.00 H new ATOM 879 N ILE A 63 -5.690 -10.200 6.326 1.00 0.00 N ATOM 880 CA ILE A 63 -5.987 -11.477 5.630 1.00 0.00 C ATOM 881 C ILE A 63 -5.421 -11.429 4.213 1.00 0.00 C ATOM 882 O ILE A 63 -4.961 -12.418 3.680 1.00 0.00 O ATOM 883 CB ILE A 63 -7.489 -11.720 5.574 1.00 0.00 C ATOM 884 CG1 ILE A 63 -8.180 -10.445 5.115 1.00 0.00 C ATOM 885 CG2 ILE A 63 -8.002 -12.116 6.960 1.00 0.00 C ATOM 886 CD1 ILE A 63 -9.588 -10.770 4.619 1.00 0.00 C ATOM 0 H ILE A 63 -6.502 -9.693 6.678 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.523 -12.294 6.183 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.704 -12.527 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -8.230 -9.731 5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.603 -9.974 4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.077 -12.289 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.502 -13.028 7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.793 -11.314 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.079 -9.854 4.291 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.528 -11.468 3.784 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.164 -11.221 5.427 1.00 0.00 H new ATOM 898 N HIS A 64 -5.452 -10.283 3.602 1.00 0.00 N ATOM 899 CA HIS A 64 -4.915 -10.156 2.219 1.00 0.00 C ATOM 900 C HIS A 64 -3.391 -10.262 2.259 1.00 0.00 C ATOM 901 O HIS A 64 -2.788 -10.939 1.451 1.00 0.00 O ATOM 902 CB HIS A 64 -5.310 -8.809 1.616 1.00 0.00 C ATOM 903 CG HIS A 64 -4.765 -8.731 0.221 1.00 0.00 C ATOM 904 ND1 HIS A 64 -5.560 -8.913 -0.900 1.00 0.00 N ATOM 905 CD2 HIS A 64 -3.495 -8.522 -0.248 1.00 0.00 C ATOM 906 CE1 HIS A 64 -4.763 -8.814 -1.980 1.00 0.00 C ATOM 907 NE2 HIS A 64 -3.495 -8.576 -1.635 1.00 0.00 N ATOM 0 H HIS A 64 -5.828 -9.423 4.001 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.330 -10.954 1.604 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.395 -8.703 1.605 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.916 -7.993 2.222 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -6.565 -9.090 -0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.626 -8.343 0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.106 -8.915 -2.999 1.00 0.00 H new ATOM 915 N ALA A 65 -2.761 -9.620 3.207 1.00 0.00 N ATOM 916 CA ALA A 65 -1.276 -9.724 3.297 1.00 0.00 C ATOM 917 C ALA A 65 -0.965 -11.096 3.874 1.00 0.00 C ATOM 918 O ALA A 65 0.120 -11.621 3.765 1.00 0.00 O ATOM 919 CB ALA A 65 -0.732 -8.636 4.226 1.00 0.00 C ATOM 0 H ALA A 65 -3.204 -9.035 3.915 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.815 -9.595 2.318 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.353 -8.719 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.000 -7.655 3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.161 -8.759 5.220 1.00 0.00 H new ATOM 925 N GLN A 66 -1.948 -11.648 4.506 1.00 0.00 N ATOM 926 CA GLN A 66 -1.836 -12.978 5.152 1.00 0.00 C ATOM 927 C GLN A 66 -2.068 -14.094 4.125 1.00 0.00 C ATOM 928 O GLN A 66 -1.500 -15.164 4.214 1.00 0.00 O ATOM 929 CB GLN A 66 -2.946 -13.005 6.193 1.00 0.00 C ATOM 930 CG GLN A 66 -3.184 -14.402 6.760 1.00 0.00 C ATOM 931 CD GLN A 66 -2.259 -14.642 7.957 1.00 0.00 C ATOM 932 OE1 GLN A 66 -1.422 -15.521 7.924 1.00 0.00 O ATOM 933 NE2 GLN A 66 -2.377 -13.891 9.018 1.00 0.00 N ATOM 0 H GLN A 66 -2.866 -11.215 4.607 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.849 -13.135 5.587 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.693 -12.325 7.006 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.869 -12.637 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.225 -14.507 7.066 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.001 -15.152 5.991 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.080 -13.153 9.045 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.766 -14.042 9.820 1.00 0.00 H new ATOM 942 N ALA A 67 -2.923 -13.858 3.168 1.00 0.00 N ATOM 943 CA ALA A 67 -3.227 -14.905 2.153 1.00 0.00 C ATOM 944 C ALA A 67 -2.261 -14.791 0.977 1.00 0.00 C ATOM 945 O ALA A 67 -1.747 -15.772 0.480 1.00 0.00 O ATOM 946 CB ALA A 67 -4.667 -14.723 1.656 1.00 0.00 C ATOM 0 H ALA A 67 -3.427 -12.980 3.045 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.115 -15.890 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.895 -15.487 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.356 -14.817 2.495 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.775 -13.736 1.206 1.00 0.00 H new ATOM 952 N LYS A 68 -2.028 -13.593 0.521 1.00 0.00 N ATOM 953 CA LYS A 68 -1.113 -13.394 -0.638 1.00 0.00 C ATOM 954 C LYS A 68 0.271 -13.004 -0.130 1.00 0.00 C ATOM 955 O LYS A 68 1.156 -12.661 -0.889 1.00 0.00 O ATOM 956 CB LYS A 68 -1.674 -12.289 -1.528 1.00 0.00 C ATOM 957 CG LYS A 68 -3.123 -12.629 -1.912 1.00 0.00 C ATOM 958 CD LYS A 68 -4.094 -11.978 -0.924 1.00 0.00 C ATOM 959 CE LYS A 68 -5.526 -12.127 -1.442 1.00 0.00 C ATOM 960 NZ LYS A 68 -5.653 -11.436 -2.757 1.00 0.00 N ATOM 0 H LYS A 68 -2.434 -12.738 0.903 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.032 -14.316 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.639 -11.333 -1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.063 -12.184 -2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.331 -12.279 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.263 -13.710 -1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.000 -12.446 0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.849 -10.923 -0.799 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.778 -13.182 -1.548 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.229 -11.702 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.373 -10.689 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.739 -11.013 -3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.936 -12.123 -3.484 1.00 0.00 H new ATOM 974 N LYS A 69 0.458 -13.068 1.151 1.00 0.00 N ATOM 975 CA LYS A 69 1.775 -12.721 1.745 1.00 0.00 C ATOM 976 C LYS A 69 2.249 -11.351 1.241 1.00 0.00 C ATOM 977 O LYS A 69 3.401 -10.998 1.392 1.00 0.00 O ATOM 978 CB LYS A 69 2.809 -13.797 1.378 1.00 0.00 C ATOM 979 CG LYS A 69 2.119 -15.154 1.158 1.00 0.00 C ATOM 980 CD LYS A 69 1.115 -15.447 2.290 1.00 0.00 C ATOM 981 CE LYS A 69 1.201 -16.924 2.686 1.00 0.00 C ATOM 982 NZ LYS A 69 0.249 -17.195 3.799 1.00 0.00 N ATOM 0 H LYS A 69 -0.255 -13.350 1.824 1.00 0.00 H new ATOM 0 HA LYS A 69 1.668 -12.675 2.829 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.343 -13.503 0.474 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.550 -13.884 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.602 -15.153 0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.868 -15.945 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.330 -14.816 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.103 -15.206 1.963 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.965 -17.556 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.217 -17.171 2.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.737 -17.076 4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.548 -16.530 3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.107 -18.169 3.722 1.00 0.00 H new ATOM 996 N HIS A 70 1.374 -10.560 0.675 1.00 0.00 N ATOM 997 CA HIS A 70 1.805 -9.206 0.213 1.00 0.00 C ATOM 998 C HIS A 70 1.993 -8.340 1.460 1.00 0.00 C ATOM 999 O HIS A 70 1.072 -8.145 2.227 1.00 0.00 O ATOM 1000 CB HIS A 70 0.737 -8.599 -0.703 1.00 0.00 C ATOM 1001 CG HIS A 70 0.655 -9.409 -1.968 1.00 0.00 C ATOM 1002 ND1 HIS A 70 -0.497 -9.462 -2.740 1.00 0.00 N ATOM 1003 CD2 HIS A 70 1.575 -10.201 -2.615 1.00 0.00 C ATOM 1004 CE1 HIS A 70 -0.242 -10.259 -3.796 1.00 0.00 C ATOM 1005 NE2 HIS A 70 1.004 -10.731 -3.764 1.00 0.00 N ATOM 0 H HIS A 70 0.393 -10.788 0.514 1.00 0.00 H new ATOM 0 HA HIS A 70 2.734 -9.266 -0.354 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.229 -8.590 -0.199 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.985 -7.563 -0.935 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.586 -10.383 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.958 -10.487 -4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.446 -11.352 -4.442 1.00 0.00 H new ATOM 1013 N ASN A 71 3.182 -7.852 1.698 1.00 0.00 N ATOM 1014 CA ASN A 71 3.413 -7.046 2.928 1.00 0.00 C ATOM 1015 C ASN A 71 3.135 -5.564 2.675 1.00 0.00 C ATOM 1016 O ASN A 71 2.630 -4.870 3.533 1.00 0.00 O ATOM 1017 CB ASN A 71 4.867 -7.224 3.368 1.00 0.00 C ATOM 1018 CG ASN A 71 5.754 -7.433 2.138 1.00 0.00 C ATOM 1019 OD1 ASN A 71 5.799 -8.515 1.585 1.00 0.00 O ATOM 1020 ND2 ASN A 71 6.465 -6.438 1.681 1.00 0.00 N ATOM 0 H ASN A 71 3.997 -7.977 1.097 1.00 0.00 H new ATOM 0 HA ASN A 71 2.734 -7.391 3.708 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.199 -6.347 3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.952 -8.078 4.040 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.057 -6.569 0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.428 -5.530 2.144 1.00 0.00 H new ATOM 1027 N LEU A 72 3.492 -5.063 1.527 1.00 0.00 N ATOM 1028 CA LEU A 72 3.289 -3.611 1.261 1.00 0.00 C ATOM 1029 C LEU A 72 1.881 -3.291 0.762 1.00 0.00 C ATOM 1030 O LEU A 72 1.341 -3.930 -0.122 1.00 0.00 O ATOM 1031 CB LEU A 72 4.295 -3.153 0.213 1.00 0.00 C ATOM 1032 CG LEU A 72 5.701 -3.192 0.813 1.00 0.00 C ATOM 1033 CD1 LEU A 72 6.723 -3.351 -0.308 1.00 0.00 C ATOM 1034 CD2 LEU A 72 5.985 -1.891 1.578 1.00 0.00 C ATOM 0 H LEU A 72 3.914 -5.592 0.764 1.00 0.00 H new ATOM 0 HA LEU A 72 3.430 -3.086 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.243 -3.798 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.057 -2.143 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 72 5.772 -4.034 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.727 -3.379 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.531 -4.279 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.643 -2.509 -0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.989 -1.929 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.911 -1.044 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.257 -1.775 2.381 1.00 0.00 H new ATOM 1046 N THR A 73 1.317 -2.255 1.314 1.00 0.00 N ATOM 1047 CA THR A 73 -0.032 -1.785 0.903 1.00 0.00 C ATOM 1048 C THR A 73 -0.056 -0.275 1.147 1.00 0.00 C ATOM 1049 O THR A 73 0.757 0.233 1.889 1.00 0.00 O ATOM 1050 CB THR A 73 -1.107 -2.478 1.744 1.00 0.00 C ATOM 1051 OG1 THR A 73 -2.381 -1.943 1.416 1.00 0.00 O ATOM 1052 CG2 THR A 73 -0.821 -2.252 3.228 1.00 0.00 C ATOM 0 H THR A 73 1.748 -1.700 2.053 1.00 0.00 H new ATOM 0 HA THR A 73 -0.233 -2.017 -0.143 1.00 0.00 H new ATOM 0 HB THR A 73 -1.099 -3.548 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.318 -1.437 0.579 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.587 -2.746 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.156 -2.665 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.828 -1.183 3.441 1.00 0.00 H new ATOM 1060 N VAL A 74 -0.943 0.458 0.529 1.00 0.00 N ATOM 1061 CA VAL A 74 -0.943 1.941 0.746 1.00 0.00 C ATOM 1062 C VAL A 74 -2.290 2.418 1.285 1.00 0.00 C ATOM 1063 O VAL A 74 -3.333 2.179 0.711 1.00 0.00 O ATOM 1064 CB VAL A 74 -0.627 2.649 -0.578 1.00 0.00 C ATOM 1065 CG1 VAL A 74 -1.443 2.022 -1.713 1.00 0.00 C ATOM 1066 CG2 VAL A 74 -0.980 4.136 -0.471 1.00 0.00 C ATOM 0 H VAL A 74 -1.658 0.105 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.180 2.184 1.485 1.00 0.00 H new ATOM 0 HB VAL A 74 0.437 2.539 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.213 2.530 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.191 0.965 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.506 2.124 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.753 4.633 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.042 4.243 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.396 4.592 0.329 1.00 0.00 H new ATOM 1076 N ASN A 75 -2.257 3.110 2.397 1.00 0.00 N ATOM 1077 CA ASN A 75 -3.510 3.636 3.003 1.00 0.00 C ATOM 1078 C ASN A 75 -3.948 4.880 2.236 1.00 0.00 C ATOM 1079 O ASN A 75 -3.376 5.943 2.372 1.00 0.00 O ATOM 1080 CB ASN A 75 -3.259 3.998 4.469 1.00 0.00 C ATOM 1081 CG ASN A 75 -4.597 4.252 5.166 1.00 0.00 C ATOM 1082 OD1 ASN A 75 -5.611 4.417 4.518 1.00 0.00 O ATOM 1083 ND2 ASN A 75 -4.644 4.288 6.470 1.00 0.00 N ATOM 0 H ASN A 75 -1.405 3.333 2.912 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.291 2.877 2.951 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -2.724 3.190 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.629 4.885 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.532 4.455 6.944 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -3.793 4.150 7.015 1.00 0.00 H new ATOM 1090 N LEU A 76 -4.956 4.751 1.426 1.00 0.00 N ATOM 1091 CA LEU A 76 -5.436 5.917 0.636 1.00 0.00 C ATOM 1092 C LEU A 76 -6.080 6.930 1.581 1.00 0.00 C ATOM 1093 O LEU A 76 -6.666 7.908 1.161 1.00 0.00 O ATOM 1094 CB LEU A 76 -6.459 5.438 -0.397 1.00 0.00 C ATOM 1095 CG LEU A 76 -5.977 4.110 -1.029 1.00 0.00 C ATOM 1096 CD1 LEU A 76 -7.144 3.114 -1.167 1.00 0.00 C ATOM 1097 CD2 LEU A 76 -5.359 4.381 -2.409 1.00 0.00 C ATOM 0 H LEU A 76 -5.472 3.884 1.275 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.600 6.389 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.430 5.295 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.590 6.194 -1.171 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.224 3.672 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.781 2.188 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.561 2.903 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.917 3.545 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.022 3.442 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.106 4.838 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.510 5.056 -2.301 1.00 0.00 H new ATOM 1109 N THR A 77 -5.963 6.701 2.858 1.00 0.00 N ATOM 1110 CA THR A 77 -6.550 7.645 3.845 1.00 0.00 C ATOM 1111 C THR A 77 -5.516 8.711 4.188 1.00 0.00 C ATOM 1112 O THR A 77 -5.830 9.875 4.336 1.00 0.00 O ATOM 1113 CB THR A 77 -6.923 6.878 5.111 1.00 0.00 C ATOM 1114 OG1 THR A 77 -7.799 5.817 4.765 1.00 0.00 O ATOM 1115 CG2 THR A 77 -7.604 7.824 6.103 1.00 0.00 C ATOM 0 H THR A 77 -5.483 5.896 3.262 1.00 0.00 H new ATOM 0 HA THR A 77 -7.440 8.115 3.426 1.00 0.00 H new ATOM 0 HB THR A 77 -6.026 6.469 5.577 1.00 0.00 H new ATOM 0 HG1 THR A 77 -7.282 4.994 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.870 7.274 7.006 1.00 0.00 H new ATOM 0 HG22 THR A 77 -6.922 8.635 6.359 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.506 8.237 5.651 1.00 0.00 H new ATOM 1123 N THR A 78 -4.280 8.312 4.323 1.00 0.00 N ATOM 1124 CA THR A 78 -3.204 9.292 4.670 1.00 0.00 C ATOM 1125 C THR A 78 -2.140 9.353 3.566 1.00 0.00 C ATOM 1126 O THR A 78 -1.353 10.277 3.512 1.00 0.00 O ATOM 1127 CB THR A 78 -2.545 8.877 5.987 1.00 0.00 C ATOM 1128 OG1 THR A 78 -3.552 8.599 6.951 1.00 0.00 O ATOM 1129 CG2 THR A 78 -1.649 10.009 6.495 1.00 0.00 C ATOM 0 H THR A 78 -3.966 7.348 4.208 1.00 0.00 H new ATOM 0 HA THR A 78 -3.655 10.279 4.771 1.00 0.00 H new ATOM 0 HB THR A 78 -1.940 7.985 5.824 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.545 9.295 7.641 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.181 9.710 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.876 10.221 5.756 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.250 10.903 6.658 1.00 0.00 H new ATOM 1137 N PHE A 79 -2.112 8.392 2.685 1.00 0.00 N ATOM 1138 CA PHE A 79 -1.104 8.406 1.577 1.00 0.00 C ATOM 1139 C PHE A 79 0.265 7.920 2.076 1.00 0.00 C ATOM 1140 O PHE A 79 1.272 8.576 1.902 1.00 0.00 O ATOM 1141 CB PHE A 79 -0.973 9.826 1.007 1.00 0.00 C ATOM 1142 CG PHE A 79 -0.599 9.753 -0.456 1.00 0.00 C ATOM 1143 CD1 PHE A 79 0.682 10.137 -0.873 1.00 0.00 C ATOM 1144 CD2 PHE A 79 -1.533 9.299 -1.395 1.00 0.00 C ATOM 1145 CE1 PHE A 79 1.028 10.067 -2.228 1.00 0.00 C ATOM 1146 CE2 PHE A 79 -1.188 9.230 -2.750 1.00 0.00 C ATOM 1147 CZ PHE A 79 0.093 9.613 -3.166 1.00 0.00 C ATOM 0 H PHE A 79 -2.745 7.592 2.681 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.447 7.730 0.794 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.913 10.365 1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.215 10.382 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 79 1.403 10.487 -0.149 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.520 9.002 -1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 79 2.016 10.363 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.910 8.882 -3.474 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.360 9.558 -4.211 1.00 0.00 H new ATOM 1157 N ARG A 80 0.304 6.756 2.659 1.00 0.00 N ATOM 1158 CA ARG A 80 1.590 6.177 3.138 1.00 0.00 C ATOM 1159 C ARG A 80 1.513 4.675 2.892 1.00 0.00 C ATOM 1160 O ARG A 80 0.527 4.182 2.387 1.00 0.00 O ATOM 1161 CB ARG A 80 1.805 6.449 4.634 1.00 0.00 C ATOM 1162 CG ARG A 80 0.484 6.845 5.304 1.00 0.00 C ATOM 1163 CD ARG A 80 0.533 6.467 6.788 1.00 0.00 C ATOM 1164 NE ARG A 80 -0.504 7.245 7.532 1.00 0.00 N ATOM 1165 CZ ARG A 80 -1.209 6.683 8.482 1.00 0.00 C ATOM 1166 NH1 ARG A 80 -2.103 7.382 9.125 1.00 0.00 N ATOM 1167 NH2 ARG A 80 -1.026 5.427 8.787 1.00 0.00 N ATOM 0 H ARG A 80 -0.515 6.171 2.827 1.00 0.00 H new ATOM 0 HA ARG A 80 2.427 6.631 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.212 5.560 5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.538 7.245 4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.315 7.916 5.196 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.350 6.340 4.816 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.358 5.398 6.908 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.522 6.676 7.195 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.664 8.225 7.297 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.251 8.363 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.654 6.948 9.865 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.330 4.876 8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.579 4.996 9.528 1.00 0.00 H new ATOM 1181 N LEU A 81 2.527 3.943 3.234 1.00 0.00 N ATOM 1182 CA LEU A 81 2.485 2.475 2.999 1.00 0.00 C ATOM 1183 C LEU A 81 2.468 1.733 4.325 1.00 0.00 C ATOM 1184 O LEU A 81 2.511 2.315 5.388 1.00 0.00 O ATOM 1185 CB LEU A 81 3.715 2.046 2.185 1.00 0.00 C ATOM 1186 CG LEU A 81 3.366 1.938 0.694 1.00 0.00 C ATOM 1187 CD1 LEU A 81 4.363 2.755 -0.133 1.00 0.00 C ATOM 1188 CD2 LEU A 81 3.433 0.470 0.254 1.00 0.00 C ATOM 0 H LEU A 81 3.383 4.293 3.665 1.00 0.00 H new ATOM 0 HA LEU A 81 1.579 2.232 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.520 2.768 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.082 1.086 2.549 1.00 0.00 H new ATOM 0 HG LEU A 81 2.359 2.324 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.111 2.675 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.319 3.800 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.371 2.372 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.185 0.396 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.440 0.086 0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.722 -0.117 0.835 1.00 0.00 H new ATOM 1200 N TRP A 82 2.414 0.440 4.248 1.00 0.00 N ATOM 1201 CA TRP A 82 2.404 -0.396 5.469 1.00 0.00 C ATOM 1202 C TRP A 82 2.941 -1.768 5.084 1.00 0.00 C ATOM 1203 O TRP A 82 2.313 -2.510 4.353 1.00 0.00 O ATOM 1204 CB TRP A 82 0.973 -0.518 5.996 1.00 0.00 C ATOM 1205 CG TRP A 82 0.988 -1.085 7.380 1.00 0.00 C ATOM 1206 CD1 TRP A 82 1.698 -0.590 8.420 1.00 0.00 C ATOM 1207 CD2 TRP A 82 0.265 -2.242 7.892 1.00 0.00 C ATOM 1208 NE1 TRP A 82 1.460 -1.371 9.536 1.00 0.00 N ATOM 1209 CE2 TRP A 82 0.583 -2.401 9.261 1.00 0.00 C ATOM 1210 CE3 TRP A 82 -0.626 -3.159 7.306 1.00 0.00 C ATOM 1211 CZ2 TRP A 82 0.036 -3.435 10.023 1.00 0.00 C ATOM 1212 CZ3 TRP A 82 -1.178 -4.201 8.069 1.00 0.00 C ATOM 1213 CH2 TRP A 82 -0.848 -4.338 9.425 1.00 0.00 C ATOM 0 H TRP A 82 2.376 -0.082 3.373 1.00 0.00 H new ATOM 0 HA TRP A 82 3.019 0.048 6.252 1.00 0.00 H new ATOM 0 HB2 TRP A 82 0.493 0.460 5.999 1.00 0.00 H new ATOM 0 HB3 TRP A 82 0.387 -1.159 5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.345 0.274 8.384 1.00 0.00 H new ATOM 0 HE1 TRP A 82 1.881 -1.206 10.450 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -0.887 -3.061 6.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.294 -3.537 11.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.860 -4.900 7.609 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -1.276 -5.141 10.007 1.00 0.00 H new ATOM 1224 N CYS A 83 4.109 -2.102 5.546 1.00 0.00 N ATOM 1225 CA CYS A 83 4.702 -3.410 5.184 1.00 0.00 C ATOM 1226 C CYS A 83 4.364 -4.445 6.245 1.00 0.00 C ATOM 1227 O CYS A 83 4.878 -4.395 7.334 1.00 0.00 O ATOM 1228 CB CYS A 83 6.222 -3.260 5.110 1.00 0.00 C ATOM 1229 SG CYS A 83 6.866 -4.324 3.802 1.00 0.00 S ATOM 0 H CYS A 83 4.679 -1.522 6.161 1.00 0.00 H new ATOM 0 HA CYS A 83 4.303 -3.733 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 83 6.487 -2.221 4.912 1.00 0.00 H new ATOM 0 HB3 CYS A 83 6.672 -3.527 6.066 1.00 0.00 H new ATOM 1234 N TYR A 84 3.537 -5.402 5.941 1.00 0.00 N ATOM 1235 CA TYR A 84 3.242 -6.438 6.962 1.00 0.00 C ATOM 1236 C TYR A 84 4.504 -7.279 7.112 1.00 0.00 C ATOM 1237 O TYR A 84 4.561 -8.224 7.875 1.00 0.00 O ATOM 1238 CB TYR A 84 2.064 -7.315 6.516 1.00 0.00 C ATOM 1239 CG TYR A 84 1.454 -7.996 7.721 1.00 0.00 C ATOM 1240 CD1 TYR A 84 1.486 -9.393 7.829 1.00 0.00 C ATOM 1241 CD2 TYR A 84 0.857 -7.231 8.730 1.00 0.00 C ATOM 1242 CE1 TYR A 84 0.921 -10.021 8.944 1.00 0.00 C ATOM 1243 CE2 TYR A 84 0.292 -7.860 9.845 1.00 0.00 C ATOM 1244 CZ TYR A 84 0.324 -9.256 9.952 1.00 0.00 C ATOM 1245 OH TYR A 84 -0.233 -9.876 11.053 1.00 0.00 O ATOM 0 H TYR A 84 3.060 -5.511 5.046 1.00 0.00 H new ATOM 0 HA TYR A 84 2.962 -5.980 7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.314 -6.705 6.012 1.00 0.00 H new ATOM 0 HB3 TYR A 84 2.404 -8.061 5.798 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.947 -9.984 7.052 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.832 -6.154 8.648 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.946 -11.098 9.027 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.169 -7.269 10.623 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.604 -9.199 11.657 1.00 0.00 H new ATOM 1255 N ALA A 85 5.536 -6.903 6.399 1.00 0.00 N ATOM 1256 CA ALA A 85 6.831 -7.622 6.493 1.00 0.00 C ATOM 1257 C ALA A 85 7.725 -6.794 7.411 1.00 0.00 C ATOM 1258 O ALA A 85 7.968 -7.156 8.545 1.00 0.00 O ATOM 1259 CB ALA A 85 7.481 -7.747 5.113 1.00 0.00 C ATOM 0 H ALA A 85 5.530 -6.117 5.749 1.00 0.00 H new ATOM 0 HA ALA A 85 6.684 -8.630 6.880 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.429 -8.277 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.818 -8.300 4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.659 -6.753 4.703 1.00 0.00 H new ATOM 1265 N CYS A 86 8.168 -5.648 6.953 1.00 0.00 N ATOM 1266 CA CYS A 86 8.975 -4.780 7.834 1.00 0.00 C ATOM 1267 C CYS A 86 8.047 -4.373 8.967 1.00 0.00 C ATOM 1268 O CYS A 86 8.455 -3.856 9.989 1.00 0.00 O ATOM 1269 CB CYS A 86 9.440 -3.540 7.060 1.00 0.00 C ATOM 1270 SG CYS A 86 10.298 -4.050 5.550 1.00 0.00 S ATOM 0 H CYS A 86 8.002 -5.287 6.013 1.00 0.00 H new ATOM 0 HA CYS A 86 9.865 -5.289 8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 86 8.584 -2.914 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 86 10.104 -2.939 7.682 1.00 0.00 H new ATOM 1275 N GLU A 87 6.781 -4.627 8.768 1.00 0.00 N ATOM 1276 CA GLU A 87 5.758 -4.297 9.789 1.00 0.00 C ATOM 1277 C GLU A 87 5.940 -2.847 10.246 1.00 0.00 C ATOM 1278 O GLU A 87 6.225 -2.565 11.394 1.00 0.00 O ATOM 1279 CB GLU A 87 5.899 -5.281 10.953 1.00 0.00 C ATOM 1280 CG GLU A 87 4.611 -6.098 11.108 1.00 0.00 C ATOM 1281 CD GLU A 87 3.514 -5.214 11.702 1.00 0.00 C ATOM 1282 OE1 GLU A 87 2.389 -5.679 11.791 1.00 0.00 O ATOM 1283 OE2 GLU A 87 3.815 -4.086 12.058 1.00 0.00 O ATOM 0 H GLU A 87 6.411 -5.058 7.921 1.00 0.00 H new ATOM 0 HA GLU A 87 4.753 -4.388 9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.743 -5.948 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.109 -4.739 11.875 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.295 -6.486 10.140 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.789 -6.958 11.753 1.00 0.00 H new ATOM 1290 N LYS A 88 5.765 -1.924 9.339 1.00 0.00 N ATOM 1291 CA LYS A 88 5.911 -0.482 9.685 1.00 0.00 C ATOM 1292 C LYS A 88 5.215 0.355 8.611 1.00 0.00 C ATOM 1293 O LYS A 88 4.596 -0.174 7.713 1.00 0.00 O ATOM 1294 CB LYS A 88 7.395 -0.114 9.742 1.00 0.00 C ATOM 1295 CG LYS A 88 8.125 -0.785 8.582 1.00 0.00 C ATOM 1296 CD LYS A 88 9.559 -0.253 8.497 1.00 0.00 C ATOM 1297 CE LYS A 88 10.367 -0.739 9.703 1.00 0.00 C ATOM 1298 NZ LYS A 88 10.132 0.171 10.859 1.00 0.00 N ATOM 0 H LYS A 88 5.525 -2.110 8.365 1.00 0.00 H new ATOM 0 HA LYS A 88 5.459 -0.287 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.516 0.968 9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.825 -0.434 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.136 -1.866 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.599 -0.591 7.647 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.028 -0.592 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.551 0.837 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.076 -1.757 9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.428 -0.764 9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.045 0.487 11.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.584 0.997 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.602 -0.335 11.597 1.00 0.00 H new ATOM 1312 N GLU A 89 5.313 1.655 8.695 1.00 0.00 N ATOM 1313 CA GLU A 89 4.657 2.534 7.676 1.00 0.00 C ATOM 1314 C GLU A 89 5.741 3.206 6.831 1.00 0.00 C ATOM 1315 O GLU A 89 6.794 3.550 7.331 1.00 0.00 O ATOM 1316 CB GLU A 89 3.824 3.602 8.403 1.00 0.00 C ATOM 1317 CG GLU A 89 2.385 3.612 7.868 1.00 0.00 C ATOM 1318 CD GLU A 89 1.456 4.223 8.919 1.00 0.00 C ATOM 1319 OE1 GLU A 89 0.598 3.508 9.409 1.00 0.00 O ATOM 1320 OE2 GLU A 89 1.618 5.396 9.215 1.00 0.00 O ATOM 0 H GLU A 89 5.821 2.151 9.428 1.00 0.00 H new ATOM 0 HA GLU A 89 4.006 1.946 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.819 3.402 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.278 4.583 8.264 1.00 0.00 H new ATOM 0 HG2 GLU A 89 2.333 4.186 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.066 2.597 7.631 1.00 0.00 H new ATOM 1327 N VAL A 90 5.513 3.393 5.553 1.00 0.00 N ATOM 1328 CA VAL A 90 6.572 4.039 4.720 1.00 0.00 C ATOM 1329 C VAL A 90 5.940 4.816 3.561 1.00 0.00 C ATOM 1330 O VAL A 90 4.918 4.455 3.035 1.00 0.00 O ATOM 1331 CB VAL A 90 7.519 2.954 4.171 1.00 0.00 C ATOM 1332 CG1 VAL A 90 8.796 2.904 5.015 1.00 0.00 C ATOM 1333 CG2 VAL A 90 6.825 1.588 4.230 1.00 0.00 C ATOM 0 H VAL A 90 4.659 3.132 5.060 1.00 0.00 H new ATOM 0 HA VAL A 90 7.136 4.738 5.337 1.00 0.00 H new ATOM 0 HB VAL A 90 7.774 3.194 3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.462 2.135 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 90 9.296 3.872 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.540 2.669 6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.496 0.822 3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 90 6.568 1.355 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.917 1.615 3.627 1.00 0.00 H new ATOM 1343 N PHE A 91 6.561 5.884 3.156 1.00 0.00 N ATOM 1344 CA PHE A 91 6.027 6.695 2.025 1.00 0.00 C ATOM 1345 C PHE A 91 6.826 6.381 0.782 1.00 0.00 C ATOM 1346 O PHE A 91 7.857 5.740 0.843 1.00 0.00 O ATOM 1347 CB PHE A 91 6.221 8.180 2.293 1.00 0.00 C ATOM 1348 CG PHE A 91 5.447 8.591 3.523 1.00 0.00 C ATOM 1349 CD1 PHE A 91 5.906 8.224 4.794 1.00 0.00 C ATOM 1350 CD2 PHE A 91 4.272 9.340 3.392 1.00 0.00 C ATOM 1351 CE1 PHE A 91 5.189 8.606 5.934 1.00 0.00 C ATOM 1352 CE2 PHE A 91 3.554 9.722 4.532 1.00 0.00 C ATOM 1353 CZ PHE A 91 4.012 9.356 5.803 1.00 0.00 C ATOM 0 H PHE A 91 7.427 6.236 3.564 1.00 0.00 H new ATOM 0 HA PHE A 91 4.969 6.461 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.280 8.397 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.886 8.760 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.813 7.646 4.895 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.919 9.623 2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 91 5.543 8.323 6.914 1.00 0.00 H new ATOM 0 HE2 PHE A 91 2.647 10.299 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 91 3.459 9.651 6.682 1.00 0.00 H new ATOM 1363 N LEU A 92 6.382 6.853 -0.346 1.00 0.00 N ATOM 1364 CA LEU A 92 7.147 6.613 -1.582 1.00 0.00 C ATOM 1365 C LEU A 92 8.625 6.828 -1.260 1.00 0.00 C ATOM 1366 O LEU A 92 8.975 7.443 -0.272 1.00 0.00 O ATOM 1367 CB LEU A 92 6.698 7.603 -2.662 1.00 0.00 C ATOM 1368 CG LEU A 92 5.513 7.024 -3.448 1.00 0.00 C ATOM 1369 CD1 LEU A 92 5.964 5.804 -4.268 1.00 0.00 C ATOM 1370 CD2 LEU A 92 4.408 6.609 -2.472 1.00 0.00 C ATOM 0 H LEU A 92 5.524 7.393 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 92 6.982 5.600 -1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.412 8.549 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.525 7.814 -3.339 1.00 0.00 H new ATOM 0 HG LEU A 92 5.133 7.785 -4.130 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.114 5.403 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.743 6.104 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.354 5.039 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.566 6.198 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.793 5.854 -1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 92 4.078 7.479 -1.905 1.00 0.00 H new ATOM 1382 N GLU A 93 9.484 6.319 -2.071 1.00 0.00 N ATOM 1383 CA GLU A 93 10.942 6.475 -1.807 1.00 0.00 C ATOM 1384 C GLU A 93 11.310 7.961 -1.828 1.00 0.00 C ATOM 1385 O GLU A 93 12.457 8.328 -1.668 1.00 0.00 O ATOM 1386 CB GLU A 93 11.760 5.704 -2.853 1.00 0.00 C ATOM 1387 CG GLU A 93 11.132 5.859 -4.241 1.00 0.00 C ATOM 1388 CD GLU A 93 11.627 4.736 -5.155 1.00 0.00 C ATOM 1389 OE1 GLU A 93 10.907 4.386 -6.075 1.00 0.00 O ATOM 1390 OE2 GLU A 93 12.719 4.247 -4.920 1.00 0.00 O ATOM 0 H GLU A 93 9.249 5.796 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 93 11.174 6.065 -0.824 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.785 6.074 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.806 4.649 -2.583 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.045 5.828 -4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.394 6.829 -4.664 1.00 0.00 H new ATOM 1397 N GLN A 94 10.338 8.816 -2.010 1.00 0.00 N ATOM 1398 CA GLN A 94 10.605 10.287 -2.028 1.00 0.00 C ATOM 1399 C GLN A 94 11.467 10.656 -3.239 1.00 0.00 C ATOM 1400 O GLN A 94 11.319 11.718 -3.812 1.00 0.00 O ATOM 1401 CB GLN A 94 11.329 10.700 -0.743 1.00 0.00 C ATOM 1402 CG GLN A 94 10.657 10.041 0.464 1.00 0.00 C ATOM 1403 CD GLN A 94 11.153 10.704 1.750 1.00 0.00 C ATOM 1404 OE1 GLN A 94 10.289 11.086 2.649 1.00 0.00 O flip ATOM 1405 NE2 GLN A 94 12.341 10.876 1.938 1.00 0.00 N flip ATOM 0 H GLN A 94 9.361 8.557 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 94 9.653 10.813 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.377 10.405 -0.794 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.308 11.784 -0.635 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.574 10.137 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.882 8.975 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.017 10.577 1.235 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.662 11.319 2.799 1.00 0.00 H new ATOM 1414 N ARG A 95 12.364 9.796 -3.633 1.00 0.00 N ATOM 1415 CA ARG A 95 13.233 10.104 -4.804 1.00 0.00 C ATOM 1416 C ARG A 95 12.375 10.690 -5.932 1.00 0.00 C ATOM 1417 O ARG A 95 12.834 11.472 -6.741 1.00 0.00 O ATOM 1418 CB ARG A 95 13.936 8.807 -5.251 1.00 0.00 C ATOM 1419 CG ARG A 95 13.210 8.158 -6.439 1.00 0.00 C ATOM 1420 CD ARG A 95 13.669 8.797 -7.757 1.00 0.00 C ATOM 1421 NE ARG A 95 14.671 7.910 -8.412 1.00 0.00 N ATOM 1422 CZ ARG A 95 14.873 7.990 -9.700 1.00 0.00 C ATOM 1423 NH1 ARG A 95 15.750 7.212 -10.272 1.00 0.00 N ATOM 1424 NH2 ARG A 95 14.198 8.849 -10.415 1.00 0.00 N ATOM 0 H ARG A 95 12.534 8.891 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 95 13.992 10.840 -4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.967 9.027 -5.529 1.00 0.00 H new ATOM 0 HB3 ARG A 95 13.973 8.105 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.412 7.087 -6.456 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.133 8.277 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.815 8.950 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.104 9.778 -7.567 1.00 0.00 H new ATOM 0 HE ARG A 95 15.200 7.240 -7.854 1.00 0.00 H new ATOM 0 HH11 ARG A 95 16.278 6.541 -9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 95 15.908 7.274 -11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.513 9.458 -9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.356 8.911 -11.421 1.00 0.00 H new ATOM 1438 N LEU A 96 11.125 10.321 -5.976 1.00 0.00 N ATOM 1439 CA LEU A 96 10.219 10.853 -7.031 1.00 0.00 C ATOM 1440 C LEU A 96 9.910 12.313 -6.723 1.00 0.00 C ATOM 1441 O LEU A 96 10.233 13.209 -7.477 1.00 0.00 O ATOM 1442 CB LEU A 96 8.905 10.051 -7.051 1.00 0.00 C ATOM 1443 CG LEU A 96 8.566 9.538 -5.637 1.00 0.00 C ATOM 1444 CD1 LEU A 96 7.112 9.051 -5.580 1.00 0.00 C ATOM 1445 CD2 LEU A 96 9.492 8.374 -5.267 1.00 0.00 C ATOM 0 H LEU A 96 10.690 9.670 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 96 10.704 10.766 -8.003 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.094 10.679 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.996 9.210 -7.738 1.00 0.00 H new ATOM 0 HG LEU A 96 8.702 10.359 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.888 8.692 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.442 9.874 -5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.972 8.240 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.246 8.017 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.361 7.563 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.528 8.713 -5.287 1.00 0.00 H new ATOM 1457 N ALA A 97 9.282 12.548 -5.611 1.00 0.00 N ATOM 1458 CA ALA A 97 8.934 13.944 -5.221 1.00 0.00 C ATOM 1459 C ALA A 97 10.056 14.536 -4.366 1.00 0.00 C ATOM 1460 O ALA A 97 10.112 14.329 -3.169 1.00 0.00 O ATOM 1461 CB ALA A 97 7.630 13.937 -4.418 1.00 0.00 C ATOM 0 H ALA A 97 8.991 11.830 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 97 8.808 14.549 -6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.374 14.957 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.829 13.519 -5.028 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.758 13.330 -3.522 1.00 0.00 H new ATOM 1467 N ALA A 98 10.950 15.273 -4.967 1.00 0.00 N ATOM 1468 CA ALA A 98 12.067 15.881 -4.187 1.00 0.00 C ATOM 1469 C ALA A 98 11.642 17.272 -3.700 1.00 0.00 C ATOM 1470 O ALA A 98 10.833 17.930 -4.324 1.00 0.00 O ATOM 1471 CB ALA A 98 13.303 16.004 -5.082 1.00 0.00 C ATOM 0 H ALA A 98 10.956 15.481 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 98 12.304 15.252 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 98 14.121 16.448 -4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 98 13.599 15.015 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.070 16.637 -5.939 1.00 0.00 H new ATOM 1477 N PRO A 99 12.182 17.717 -2.595 1.00 0.00 N ATOM 1478 CA PRO A 99 11.851 19.055 -2.020 1.00 0.00 C ATOM 1479 C PRO A 99 12.392 20.202 -2.880 1.00 0.00 C ATOM 1480 O PRO A 99 13.561 20.522 -2.738 1.00 0.00 O ATOM 1481 CB PRO A 99 12.530 19.043 -0.645 1.00 0.00 C ATOM 1482 CG PRO A 99 13.638 18.049 -0.764 1.00 0.00 C ATOM 1483 CD PRO A 99 13.169 16.999 -1.771 1.00 0.00 C ATOM 1484 OXT PRO A 99 11.628 20.740 -3.665 1.00 0.00 O ATOM 0 HA PRO A 99 10.775 19.219 -1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.913 20.030 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.828 18.758 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.556 18.529 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.855 17.592 0.201 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.997 16.625 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.723 16.138 -1.273 1.00 0.00 H new TER 1492 PRO A 99 HETATM 1493 ZN ZN A 101 9.139 -4.180 3.548 1.00 0.00 ZN HETATM 1494 ZN ZN A 102 -11.967 -5.617 2.147 1.00 0.00 ZN HETATM 1495 ZN ZN A 103 -1.942 -8.087 -2.780 1.00 0.00 ZN