USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 431 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 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ 150:sc= 0.00779 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00534 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= 0.155! F(o=-1.6,f=0.15!) USER MOD Single : A 21 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.11) USER MOD Single : A 25 SER OG : rot 33:sc= 0.857 USER MOD Single : A 27 ASN : amide:sc= -0.0481 X(o=-0.048,f=0.098) USER MOD Single : A 28 GLN : amide:sc= -0.652 K(o=-0.65,f=-2.1!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.56 F(o=-2.3!,f=-1.6) USER MOD Single : A 38 SER OG : rot 180:sc= -0.763 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0.46 (180deg=0.0442) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.999 -0.869 -0.501 1.00 0.00 N ATOM 2 CA SER A 1 -0.272 -1.261 -1.143 1.00 0.00 C ATOM 3 C SER A 1 0.004 -2.142 -2.382 1.00 0.00 C ATOM 4 O SER A 1 -0.050 -3.370 -2.289 1.00 0.00 O ATOM 5 CB SER A 1 -1.090 0.007 -1.489 1.00 0.00 C ATOM 6 OG SER A 1 -1.321 0.788 -0.322 1.00 0.00 O ATOM 0 H1 SER A 1 0.885 0.057 -0.042 1.00 0.00 H new ATOM 0 H2 SER A 1 1.261 -1.579 0.212 1.00 0.00 H new ATOM 0 H3 SER A 1 1.747 -0.809 -1.221 1.00 0.00 H new ATOM 0 HA SER A 1 -0.867 -1.861 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 1 -0.555 0.601 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.042 -0.279 -1.936 1.00 0.00 H new ATOM 0 HG SER A 1 -1.838 1.586 -0.560 1.00 0.00 H new ATOM 14 N HIS A 2 0.332 -1.513 -3.526 1.00 0.00 N ATOM 15 CA HIS A 2 0.665 -2.230 -4.772 1.00 0.00 C ATOM 16 C HIS A 2 2.134 -2.683 -4.692 1.00 0.00 C ATOM 17 O HIS A 2 3.026 -1.838 -4.529 1.00 0.00 O ATOM 18 CB HIS A 2 0.446 -1.309 -6.012 1.00 0.00 C ATOM 19 CG HIS A 2 -0.939 -0.722 -6.141 1.00 0.00 C ATOM 20 ND1 HIS A 2 -1.885 -1.161 -7.044 1.00 0.00 N ATOM 21 CD2 HIS A 2 -1.519 0.316 -5.477 1.00 0.00 C ATOM 22 CE1 HIS A 2 -2.975 -0.394 -6.910 1.00 0.00 C ATOM 23 NE2 HIS A 2 -2.803 0.515 -5.970 1.00 0.00 N ATOM 0 H HIS A 2 0.374 -0.498 -3.613 1.00 0.00 H new ATOM 0 HA HIS A 2 0.013 -3.096 -4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 2 1.167 -0.492 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.666 -1.882 -6.913 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -1.054 0.893 -4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.876 -0.505 -7.495 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -3.475 1.220 -5.667 1.00 0.00 H new ATOM 31 N MET A 3 2.388 -4.004 -4.759 1.00 0.00 N ATOM 32 CA MET A 3 3.756 -4.553 -4.666 1.00 0.00 C ATOM 33 C MET A 3 4.493 -4.378 -6.016 1.00 0.00 C ATOM 34 O MET A 3 4.438 -5.253 -6.891 1.00 0.00 O ATOM 35 CB MET A 3 3.732 -6.046 -4.223 1.00 0.00 C ATOM 36 CG MET A 3 5.124 -6.660 -4.000 1.00 0.00 C ATOM 37 SD MET A 3 5.061 -8.408 -3.545 1.00 0.00 S ATOM 38 CE MET A 3 6.804 -8.839 -3.547 1.00 0.00 C ATOM 0 H MET A 3 1.663 -4.712 -4.877 1.00 0.00 H new ATOM 0 HA MET A 3 4.302 -3.998 -3.903 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.158 -6.130 -3.300 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.207 -6.629 -4.979 1.00 0.00 H new ATOM 0 HG2 MET A 3 5.714 -6.548 -4.910 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.639 -6.105 -3.216 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.919 -9.890 -3.283 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.220 -8.666 -4.539 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.332 -8.223 -2.820 1.00 0.00 H new ATOM 48 N CYS A 4 5.134 -3.201 -6.175 1.00 0.00 N ATOM 49 CA CYS A 4 5.879 -2.824 -7.389 1.00 0.00 C ATOM 50 C CYS A 4 6.634 -1.484 -7.139 1.00 0.00 C ATOM 51 O CYS A 4 6.286 -0.440 -7.719 1.00 0.00 O ATOM 52 CB CYS A 4 4.923 -2.727 -8.616 1.00 0.00 C ATOM 53 SG CYS A 4 5.672 -1.964 -10.077 1.00 0.00 S ATOM 0 H CYS A 4 5.147 -2.479 -5.454 1.00 0.00 H new ATOM 0 HA CYS A 4 6.614 -3.596 -7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.581 -3.729 -8.877 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.041 -2.153 -8.331 1.00 0.00 H new ATOM 58 N PRO A 5 7.670 -1.477 -6.228 1.00 0.00 N ATOM 59 CA PRO A 5 8.410 -0.246 -5.874 1.00 0.00 C ATOM 60 C PRO A 5 9.466 0.117 -6.950 1.00 0.00 C ATOM 61 O PRO A 5 10.455 -0.603 -7.149 1.00 0.00 O ATOM 62 CB PRO A 5 9.040 -0.607 -4.502 1.00 0.00 C ATOM 63 CG PRO A 5 9.271 -2.087 -4.564 1.00 0.00 C ATOM 64 CD PRO A 5 8.191 -2.657 -5.478 1.00 0.00 C ATOM 0 HA PRO A 5 7.782 0.643 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 5 9.973 -0.067 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.374 -0.345 -3.680 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.265 -2.308 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.212 -2.531 -3.570 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.600 -3.407 -6.155 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.401 -3.142 -4.904 1.00 0.00 H new ATOM 72 N ALA A 6 9.231 1.233 -7.659 1.00 0.00 N ATOM 73 CA ALA A 6 10.058 1.640 -8.821 1.00 0.00 C ATOM 74 C ALA A 6 10.320 3.156 -8.838 1.00 0.00 C ATOM 75 O ALA A 6 10.693 3.702 -9.886 1.00 0.00 O ATOM 76 CB ALA A 6 9.358 1.185 -10.119 1.00 0.00 C ATOM 0 H ALA A 6 8.469 1.879 -7.450 1.00 0.00 H new ATOM 0 HA ALA A 6 11.032 1.158 -8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.959 1.480 -10.979 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.244 0.101 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.375 1.652 -10.186 1.00 0.00 H new ATOM 82 N VAL A 7 10.185 3.799 -7.654 1.00 0.00 N ATOM 83 CA VAL A 7 10.201 5.269 -7.483 1.00 0.00 C ATOM 84 C VAL A 7 9.014 5.918 -8.242 1.00 0.00 C ATOM 85 O VAL A 7 8.060 6.388 -7.622 1.00 0.00 O ATOM 86 CB VAL A 7 11.581 5.926 -7.885 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.539 7.469 -7.755 1.00 0.00 C ATOM 88 CG2 VAL A 7 12.750 5.322 -7.060 1.00 0.00 C ATOM 0 H VAL A 7 10.059 3.299 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 7 10.081 5.466 -6.418 1.00 0.00 H new ATOM 0 HB VAL A 7 11.759 5.695 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.506 7.885 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.765 7.868 -8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.317 7.741 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.687 5.793 -7.358 1.00 0.00 H new ATOM 0 HG22 VAL A 7 12.576 5.499 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.809 4.249 -7.244 1.00 0.00 H new ATOM 98 N SER A 8 9.084 5.921 -9.580 1.00 0.00 N ATOM 99 CA SER A 8 7.964 6.300 -10.451 1.00 0.00 C ATOM 100 C SER A 8 7.133 5.037 -10.745 1.00 0.00 C ATOM 101 O SER A 8 7.503 4.213 -11.597 1.00 0.00 O ATOM 102 CB SER A 8 8.492 6.941 -11.754 1.00 0.00 C ATOM 103 OG SER A 8 7.436 7.458 -12.550 1.00 0.00 O ATOM 0 H SER A 8 9.926 5.658 -10.092 1.00 0.00 H new ATOM 0 HA SER A 8 7.334 7.040 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.189 7.742 -11.509 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.049 6.198 -12.326 1.00 0.00 H new ATOM 0 HG SER A 8 7.806 7.857 -13.365 1.00 0.00 H new ATOM 109 N CYS A 9 6.050 4.854 -9.975 1.00 0.00 N ATOM 110 CA CYS A 9 5.119 3.736 -10.155 1.00 0.00 C ATOM 111 C CYS A 9 3.786 4.286 -10.669 1.00 0.00 C ATOM 112 O CYS A 9 2.980 4.813 -9.891 1.00 0.00 O ATOM 113 CB CYS A 9 4.916 2.932 -8.845 1.00 0.00 C ATOM 114 SG CYS A 9 3.945 1.411 -9.091 1.00 0.00 S ATOM 0 H CYS A 9 5.797 5.479 -9.210 1.00 0.00 H new ATOM 0 HA CYS A 9 5.541 3.042 -10.882 1.00 0.00 H new ATOM 0 HB2 CYS A 9 5.890 2.672 -8.429 1.00 0.00 H new ATOM 0 HB3 CYS A 9 4.414 3.563 -8.111 1.00 0.00 H new ATOM 119 N LEU A 10 3.622 4.244 -12.001 1.00 0.00 N ATOM 120 CA LEU A 10 2.347 4.539 -12.672 1.00 0.00 C ATOM 121 C LEU A 10 1.325 3.435 -12.339 1.00 0.00 C ATOM 122 O LEU A 10 1.642 2.251 -12.481 1.00 0.00 O ATOM 123 CB LEU A 10 2.557 4.634 -14.213 1.00 0.00 C ATOM 124 CG LEU A 10 3.567 5.732 -14.699 1.00 0.00 C ATOM 125 CD1 LEU A 10 3.797 5.635 -16.228 1.00 0.00 C ATOM 126 CD2 LEU A 10 3.090 7.159 -14.288 1.00 0.00 C ATOM 0 H LEU A 10 4.375 4.003 -12.646 1.00 0.00 H new ATOM 0 HA LEU A 10 1.968 5.498 -12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.902 3.665 -14.574 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.591 4.823 -14.681 1.00 0.00 H new ATOM 0 HG LEU A 10 4.522 5.550 -14.206 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.501 6.407 -16.540 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.203 4.653 -16.473 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.850 5.776 -16.748 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.810 7.898 -14.639 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.117 7.360 -14.735 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.010 7.217 -13.203 1.00 0.00 H new ATOM 138 N GLN A 11 0.135 3.839 -11.850 1.00 0.00 N ATOM 139 CA GLN A 11 -1.002 2.943 -11.570 1.00 0.00 C ATOM 140 C GLN A 11 -1.994 3.021 -12.756 1.00 0.00 C ATOM 141 O GLN A 11 -2.738 4.003 -12.872 1.00 0.00 O ATOM 142 CB GLN A 11 -1.703 3.316 -10.207 1.00 0.00 C ATOM 143 CG GLN A 11 -1.123 2.638 -8.937 1.00 0.00 C ATOM 144 CD GLN A 11 0.370 2.887 -8.718 1.00 0.00 C ATOM 145 OE1 GLN A 11 0.710 3.976 -8.046 1.00 0.00 O flip ATOM 146 NE2 GLN A 11 1.210 2.112 -9.174 1.00 0.00 N flip ATOM 0 H GLN A 11 -0.065 4.816 -11.635 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.643 1.919 -11.465 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.647 4.397 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.760 3.059 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.671 2.996 -8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.295 1.564 -9.002 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.913 1.282 -9.687 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.203 2.300 -9.039 1.00 0.00 H new ATOM 155 N PRO A 12 -1.960 2.020 -13.694 1.00 0.00 N ATOM 156 CA PRO A 12 -2.984 1.866 -14.749 1.00 0.00 C ATOM 157 C PRO A 12 -4.281 1.247 -14.185 1.00 0.00 C ATOM 158 O PRO A 12 -4.310 0.744 -13.052 1.00 0.00 O ATOM 159 CB PRO A 12 -2.293 0.915 -15.758 1.00 0.00 C ATOM 160 CG PRO A 12 -1.410 0.062 -14.899 1.00 0.00 C ATOM 161 CD PRO A 12 -0.895 0.988 -13.820 1.00 0.00 C ATOM 0 HA PRO A 12 -3.294 2.812 -15.193 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.020 0.314 -16.304 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.716 1.469 -16.499 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.965 -0.773 -14.470 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.590 -0.364 -15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.739 0.458 -12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 12 0.061 1.432 -14.098 1.00 0.00 H new ATOM 169 N GLU A 13 -5.345 1.270 -14.995 1.00 0.00 N ATOM 170 CA GLU A 13 -6.637 0.651 -14.651 1.00 0.00 C ATOM 171 C GLU A 13 -6.706 -0.809 -15.153 1.00 0.00 C ATOM 172 O GLU A 13 -7.784 -1.408 -15.184 1.00 0.00 O ATOM 173 CB GLU A 13 -7.794 1.500 -15.241 1.00 0.00 C ATOM 174 CG GLU A 13 -7.849 2.950 -14.710 1.00 0.00 C ATOM 175 CD GLU A 13 -9.102 3.714 -15.167 1.00 0.00 C ATOM 176 OE1 GLU A 13 -9.175 4.103 -16.351 1.00 0.00 O ATOM 177 OE2 GLU A 13 -10.016 3.934 -14.344 1.00 0.00 O ATOM 0 H GLU A 13 -5.338 1.719 -15.911 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.737 0.625 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.694 1.526 -16.326 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.741 1.008 -15.020 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.819 2.933 -13.621 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.961 3.487 -15.045 1.00 0.00 H new ATOM 184 N GLY A 14 -5.538 -1.386 -15.494 1.00 0.00 N ATOM 185 CA GLY A 14 -5.455 -2.715 -16.103 1.00 0.00 C ATOM 186 C GLY A 14 -5.897 -2.666 -17.553 1.00 0.00 C ATOM 187 O GLY A 14 -6.684 -3.500 -18.006 1.00 0.00 O ATOM 0 H GLY A 14 -4.631 -0.940 -15.353 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.432 -3.086 -16.041 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.082 -3.414 -15.550 1.00 0.00 H new ATOM 191 N ASP A 15 -5.391 -1.640 -18.258 1.00 0.00 N ATOM 192 CA ASP A 15 -5.761 -1.330 -19.647 1.00 0.00 C ATOM 193 C ASP A 15 -5.217 -2.415 -20.592 1.00 0.00 C ATOM 194 O ASP A 15 -5.977 -3.265 -21.066 1.00 0.00 O ATOM 195 CB ASP A 15 -5.227 0.075 -20.052 1.00 0.00 C ATOM 196 CG ASP A 15 -5.648 1.188 -19.072 1.00 0.00 C ATOM 197 OD1 ASP A 15 -5.030 1.301 -17.984 1.00 0.00 O ATOM 198 OD2 ASP A 15 -6.583 1.962 -19.371 1.00 0.00 O ATOM 0 H ASP A 15 -4.703 -0.994 -17.872 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.848 -1.314 -19.727 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.139 0.041 -20.108 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.590 0.321 -21.050 1.00 0.00 H new ATOM 203 N GLU A 16 -3.883 -2.414 -20.795 1.00 0.00 N ATOM 204 CA GLU A 16 -3.199 -3.366 -21.702 1.00 0.00 C ATOM 205 C GLU A 16 -1.684 -3.416 -21.399 1.00 0.00 C ATOM 206 O GLU A 16 -0.871 -3.769 -22.263 1.00 0.00 O ATOM 207 CB GLU A 16 -3.465 -2.989 -23.196 1.00 0.00 C ATOM 208 CG GLU A 16 -2.972 -1.583 -23.608 1.00 0.00 C ATOM 209 CD GLU A 16 -3.239 -1.265 -25.090 1.00 0.00 C ATOM 210 OE1 GLU A 16 -2.466 -1.725 -25.958 1.00 0.00 O ATOM 211 OE2 GLU A 16 -4.237 -0.576 -25.398 1.00 0.00 O ATOM 0 H GLU A 16 -3.250 -1.757 -20.338 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.607 -4.362 -21.529 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.982 -3.729 -23.834 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.536 -3.053 -23.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.464 -0.835 -22.987 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.902 -1.507 -23.412 1.00 0.00 H new ATOM 218 N VAL A 17 -1.309 -3.091 -20.145 1.00 0.00 N ATOM 219 CA VAL A 17 0.101 -3.104 -19.705 1.00 0.00 C ATOM 220 C VAL A 17 0.544 -4.547 -19.370 1.00 0.00 C ATOM 221 O VAL A 17 -0.191 -5.304 -18.726 1.00 0.00 O ATOM 222 CB VAL A 17 0.354 -2.139 -18.472 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.035 -0.666 -18.846 1.00 0.00 C ATOM 224 CG2 VAL A 17 -0.435 -2.580 -17.200 1.00 0.00 C ATOM 0 H VAL A 17 -1.967 -2.815 -19.416 1.00 0.00 H new ATOM 0 HA VAL A 17 0.705 -2.729 -20.531 1.00 0.00 H new ATOM 0 HB VAL A 17 1.413 -2.209 -18.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.216 -0.024 -17.984 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.674 -0.354 -19.672 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.010 -0.585 -19.145 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.228 -1.887 -16.385 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.503 -2.577 -17.415 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.126 -3.584 -16.910 1.00 0.00 H new ATOM 234 N ASP A 18 1.727 -4.925 -19.862 1.00 0.00 N ATOM 235 CA ASP A 18 2.369 -6.208 -19.549 1.00 0.00 C ATOM 236 C ASP A 18 3.411 -5.984 -18.437 1.00 0.00 C ATOM 237 O ASP A 18 4.088 -4.947 -18.412 1.00 0.00 O ATOM 238 CB ASP A 18 3.022 -6.784 -20.830 1.00 0.00 C ATOM 239 CG ASP A 18 3.806 -8.084 -20.582 1.00 0.00 C ATOM 240 OD1 ASP A 18 3.169 -9.128 -20.328 1.00 0.00 O ATOM 241 OD2 ASP A 18 5.059 -8.070 -20.638 1.00 0.00 O ATOM 0 H ASP A 18 2.274 -4.343 -20.497 1.00 0.00 H new ATOM 0 HA ASP A 18 1.633 -6.929 -19.194 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.246 -6.972 -21.572 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.694 -6.038 -21.254 1.00 0.00 H new ATOM 246 N TRP A 19 3.512 -6.946 -17.501 1.00 0.00 N ATOM 247 CA TRP A 19 4.406 -6.851 -16.330 1.00 0.00 C ATOM 248 C TRP A 19 5.617 -7.779 -16.514 1.00 0.00 C ATOM 249 O TRP A 19 5.466 -8.945 -16.872 1.00 0.00 O ATOM 250 CB TRP A 19 3.641 -7.198 -15.017 1.00 0.00 C ATOM 251 CG TRP A 19 2.425 -6.336 -14.722 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.055 -5.160 -15.320 1.00 0.00 C ATOM 253 CD2 TRP A 19 1.418 -6.600 -13.735 1.00 0.00 C ATOM 254 NE1 TRP A 19 0.899 -4.687 -14.765 1.00 0.00 N ATOM 255 CE2 TRP A 19 0.485 -5.552 -13.795 1.00 0.00 C ATOM 256 CE3 TRP A 19 1.217 -7.628 -12.809 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -0.625 -5.493 -12.960 1.00 0.00 C ATOM 258 CZ3 TRP A 19 0.116 -7.572 -11.983 1.00 0.00 C ATOM 259 CH2 TRP A 19 -0.799 -6.511 -12.065 1.00 0.00 C ATOM 0 H TRP A 19 2.975 -7.813 -17.535 1.00 0.00 H new ATOM 0 HA TRP A 19 4.762 -5.824 -16.249 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.323 -8.239 -15.067 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.335 -7.116 -14.180 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.600 -4.676 -16.117 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.423 -3.826 -15.033 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.913 -8.451 -12.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.325 -4.672 -13.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -0.046 -8.358 -11.260 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.657 -6.499 -11.409 1.00 0.00 H new ATOM 270 N VAL A 20 6.811 -7.231 -16.288 1.00 0.00 N ATOM 271 CA VAL A 20 8.090 -7.950 -16.364 1.00 0.00 C ATOM 272 C VAL A 20 8.709 -8.005 -14.954 1.00 0.00 C ATOM 273 O VAL A 20 8.782 -6.983 -14.254 1.00 0.00 O ATOM 274 CB VAL A 20 9.065 -7.257 -17.403 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.337 -5.768 -17.041 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.386 -8.064 -17.570 1.00 0.00 C ATOM 0 H VAL A 20 6.922 -6.248 -16.040 1.00 0.00 H new ATOM 0 HA VAL A 20 7.923 -8.967 -16.719 1.00 0.00 H new ATOM 0 HB VAL A 20 8.560 -7.258 -18.369 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.010 -5.331 -17.779 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.397 -5.217 -17.036 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.795 -5.711 -16.054 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.031 -7.560 -18.290 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.896 -8.130 -16.609 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.157 -9.067 -17.928 1.00 0.00 H new ATOM 286 N GLN A 21 9.109 -9.205 -14.527 1.00 0.00 N ATOM 287 CA GLN A 21 9.635 -9.441 -13.175 1.00 0.00 C ATOM 288 C GLN A 21 11.166 -9.569 -13.241 1.00 0.00 C ATOM 289 O GLN A 21 11.686 -10.337 -14.055 1.00 0.00 O ATOM 290 CB GLN A 21 8.960 -10.709 -12.563 1.00 0.00 C ATOM 291 CG GLN A 21 9.113 -10.855 -11.029 1.00 0.00 C ATOM 292 CD GLN A 21 8.170 -11.894 -10.412 1.00 0.00 C ATOM 293 OE1 GLN A 21 7.833 -12.893 -11.037 1.00 0.00 O ATOM 294 NE2 GLN A 21 7.715 -11.653 -9.188 1.00 0.00 N ATOM 0 H GLN A 21 9.078 -10.043 -15.107 1.00 0.00 H new ATOM 0 HA GLN A 21 9.400 -8.600 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.898 -10.690 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.382 -11.593 -13.041 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.142 -11.130 -10.800 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.930 -9.888 -10.561 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.011 -10.814 -8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.069 -12.307 -8.746 1.00 0.00 H new ATOM 303 N CYS A 22 11.877 -8.800 -12.386 1.00 0.00 N ATOM 304 CA CYS A 22 13.364 -8.769 -12.378 1.00 0.00 C ATOM 305 C CYS A 22 13.973 -10.115 -11.968 1.00 0.00 C ATOM 306 O CYS A 22 15.110 -10.421 -12.352 1.00 0.00 O ATOM 307 CB CYS A 22 13.921 -7.672 -11.444 1.00 0.00 C ATOM 308 SG CYS A 22 15.734 -7.482 -11.584 1.00 0.00 S ATOM 0 H CYS A 22 11.448 -8.190 -11.690 1.00 0.00 H new ATOM 0 HA CYS A 22 13.651 -8.545 -13.406 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.441 -6.722 -11.679 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.663 -7.913 -10.413 1.00 0.00 H new ATOM 313 N ASP A 23 13.195 -10.879 -11.163 1.00 0.00 N ATOM 314 CA ASP A 23 13.582 -12.168 -10.589 1.00 0.00 C ATOM 315 C ASP A 23 14.792 -12.010 -9.651 1.00 0.00 C ATOM 316 O ASP A 23 14.596 -11.732 -8.462 1.00 0.00 O ATOM 317 CB ASP A 23 13.821 -13.238 -11.702 1.00 0.00 C ATOM 318 CG ASP A 23 14.235 -14.617 -11.146 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.349 -15.368 -10.690 1.00 0.00 O ATOM 320 OD2 ASP A 23 15.448 -14.939 -11.141 1.00 0.00 O ATOM 0 H ASP A 23 12.253 -10.596 -10.894 1.00 0.00 H new ATOM 0 HA ASP A 23 12.754 -12.534 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.910 -13.350 -12.290 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.596 -12.880 -12.380 1.00 0.00 H new ATOM 325 N GLY A 24 16.002 -12.032 -10.260 1.00 0.00 N ATOM 326 CA GLY A 24 17.318 -12.254 -9.597 1.00 0.00 C ATOM 327 C GLY A 24 17.372 -12.037 -8.087 1.00 0.00 C ATOM 328 O GLY A 24 17.238 -12.987 -7.299 1.00 0.00 O ATOM 0 H GLY A 24 16.096 -11.890 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.635 -13.276 -9.805 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.049 -11.592 -10.062 1.00 0.00 H new ATOM 332 N SER A 25 17.547 -10.772 -7.697 1.00 0.00 N ATOM 333 CA SER A 25 17.522 -10.331 -6.303 1.00 0.00 C ATOM 334 C SER A 25 16.655 -9.060 -6.207 1.00 0.00 C ATOM 335 O SER A 25 17.119 -7.970 -5.855 1.00 0.00 O ATOM 336 CB SER A 25 18.969 -10.122 -5.792 1.00 0.00 C ATOM 337 OG SER A 25 19.732 -9.338 -6.696 1.00 0.00 O ATOM 0 H SER A 25 17.713 -10.011 -8.356 1.00 0.00 H new ATOM 0 HA SER A 25 17.075 -11.087 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.945 -9.635 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.450 -11.090 -5.653 1.00 0.00 H new ATOM 0 HG SER A 25 19.148 -8.686 -7.137 1.00 0.00 H new ATOM 343 N CYS A 26 15.385 -9.225 -6.616 1.00 0.00 N ATOM 344 CA CYS A 26 14.313 -8.221 -6.456 1.00 0.00 C ATOM 345 C CYS A 26 13.004 -8.989 -6.226 1.00 0.00 C ATOM 346 O CYS A 26 12.239 -8.679 -5.301 1.00 0.00 O ATOM 347 CB CYS A 26 14.164 -7.296 -7.696 1.00 0.00 C ATOM 348 SG CYS A 26 15.512 -6.118 -7.973 1.00 0.00 S ATOM 0 H CYS A 26 15.066 -10.077 -7.077 1.00 0.00 H new ATOM 0 HA CYS A 26 14.561 -7.572 -5.616 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.067 -7.923 -8.583 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.234 -6.737 -7.598 1.00 0.00 H new ATOM 353 N ASN A 27 12.746 -9.970 -7.135 1.00 0.00 N ATOM 354 CA ASN A 27 11.617 -10.940 -7.026 1.00 0.00 C ATOM 355 C ASN A 27 10.252 -10.203 -7.127 1.00 0.00 C ATOM 356 O ASN A 27 9.204 -10.697 -6.693 1.00 0.00 O ATOM 357 CB ASN A 27 11.752 -11.786 -5.702 1.00 0.00 C ATOM 358 CG ASN A 27 10.987 -13.127 -5.702 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.977 -13.299 -6.379 1.00 0.00 O ATOM 360 ND2 ASN A 27 11.464 -14.087 -4.925 1.00 0.00 N ATOM 0 H ASN A 27 13.317 -10.111 -7.968 1.00 0.00 H new ATOM 0 HA ASN A 27 11.660 -11.639 -7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.808 -11.988 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.398 -11.183 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 27 10.991 -14.990 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.304 -13.924 -4.370 1.00 0.00 H new ATOM 367 N GLN A 28 10.289 -9.023 -7.762 1.00 0.00 N ATOM 368 CA GLN A 28 9.143 -8.111 -7.886 1.00 0.00 C ATOM 369 C GLN A 28 8.973 -7.682 -9.352 1.00 0.00 C ATOM 370 O GLN A 28 9.969 -7.526 -10.086 1.00 0.00 O ATOM 371 CB GLN A 28 9.337 -6.889 -6.942 1.00 0.00 C ATOM 372 CG GLN A 28 10.651 -6.110 -7.168 1.00 0.00 C ATOM 373 CD GLN A 28 10.990 -5.056 -6.102 1.00 0.00 C ATOM 374 OE1 GLN A 28 11.592 -4.028 -6.402 1.00 0.00 O ATOM 375 NE2 GLN A 28 10.657 -5.320 -4.841 1.00 0.00 N ATOM 0 H GLN A 28 11.133 -8.669 -8.213 1.00 0.00 H new ATOM 0 HA GLN A 28 8.229 -8.622 -7.583 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.497 -6.207 -7.074 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.307 -7.235 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 28 11.472 -6.825 -7.220 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.597 -5.615 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.157 -6.180 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.902 -4.662 -4.101 1.00 0.00 H new ATOM 384 N TRP A 29 7.707 -7.553 -9.767 1.00 0.00 N ATOM 385 CA TRP A 29 7.309 -7.254 -11.158 1.00 0.00 C ATOM 386 C TRP A 29 6.955 -5.770 -11.307 1.00 0.00 C ATOM 387 O TRP A 29 6.581 -5.098 -10.336 1.00 0.00 O ATOM 388 CB TRP A 29 6.126 -8.184 -11.612 1.00 0.00 C ATOM 389 CG TRP A 29 5.097 -8.442 -10.530 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.040 -9.532 -9.709 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.021 -7.577 -10.123 1.00 0.00 C ATOM 392 NE1 TRP A 29 4.008 -9.397 -8.820 1.00 0.00 N ATOM 393 CE2 TRP A 29 3.369 -8.207 -9.050 1.00 0.00 C ATOM 394 CE3 TRP A 29 3.558 -6.329 -10.554 1.00 0.00 C ATOM 395 CZ2 TRP A 29 2.276 -7.643 -8.408 1.00 0.00 C ATOM 396 CZ3 TRP A 29 2.474 -5.766 -9.914 1.00 0.00 C ATOM 397 CH2 TRP A 29 1.851 -6.418 -8.841 1.00 0.00 C ATOM 0 H TRP A 29 6.911 -7.655 -9.137 1.00 0.00 H new ATOM 0 HA TRP A 29 8.154 -7.460 -11.815 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.630 -7.731 -12.471 1.00 0.00 H new ATOM 0 HB3 TRP A 29 6.534 -9.138 -11.946 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.711 -10.377 -9.755 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.755 -10.075 -8.101 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.041 -5.816 -11.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 1.779 -8.153 -7.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.100 -4.808 -10.244 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.017 -5.942 -8.346 1.00 0.00 H new ATOM 408 N PHE A 30 7.101 -5.270 -12.533 1.00 0.00 N ATOM 409 CA PHE A 30 6.844 -3.870 -12.892 1.00 0.00 C ATOM 410 C PHE A 30 6.135 -3.827 -14.251 1.00 0.00 C ATOM 411 O PHE A 30 6.447 -4.620 -15.123 1.00 0.00 O ATOM 412 CB PHE A 30 8.170 -3.062 -12.993 1.00 0.00 C ATOM 413 CG PHE A 30 9.110 -3.209 -11.799 1.00 0.00 C ATOM 414 CD1 PHE A 30 8.873 -2.517 -10.611 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.220 -4.055 -11.861 1.00 0.00 C ATOM 416 CE1 PHE A 30 9.722 -2.654 -9.534 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.068 -4.187 -10.780 1.00 0.00 C ATOM 418 CZ PHE A 30 10.814 -3.488 -9.615 1.00 0.00 C ATOM 0 H PHE A 30 7.408 -5.836 -13.324 1.00 0.00 H new ATOM 0 HA PHE A 30 6.223 -3.423 -12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.700 -3.374 -13.893 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.926 -2.007 -13.116 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.014 -1.866 -10.534 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.417 -4.612 -12.765 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.530 -2.105 -8.624 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.929 -4.836 -10.844 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.474 -3.596 -8.767 1.00 0.00 H new ATOM 428 N HIS A 31 5.212 -2.870 -14.426 1.00 0.00 N ATOM 429 CA HIS A 31 4.526 -2.613 -15.729 1.00 0.00 C ATOM 430 C HIS A 31 5.569 -2.045 -16.719 1.00 0.00 C ATOM 431 O HIS A 31 6.548 -1.404 -16.281 1.00 0.00 O ATOM 432 CB HIS A 31 3.274 -1.640 -15.567 1.00 0.00 C ATOM 433 CG HIS A 31 2.903 -1.367 -14.128 1.00 0.00 C ATOM 434 ND1 HIS A 31 2.547 -2.351 -13.244 1.00 0.00 N ATOM 435 CD2 HIS A 31 3.174 -0.287 -13.387 1.00 0.00 C ATOM 436 CE1 HIS A 31 2.678 -1.841 -12.011 1.00 0.00 C ATOM 437 NE2 HIS A 31 3.092 -0.574 -12.040 1.00 0.00 N ATOM 0 H HIS A 31 4.911 -2.246 -13.678 1.00 0.00 H new ATOM 0 HA HIS A 31 4.122 -3.549 -16.116 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.493 -0.694 -16.063 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.416 -2.077 -16.078 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.240 -3.295 -13.480 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.424 0.683 -13.790 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.473 -2.390 -11.104 1.00 0.00 H new ATOM 445 N GLN A 32 5.382 -2.300 -18.029 1.00 0.00 N ATOM 446 CA GLN A 32 6.264 -1.754 -19.084 1.00 0.00 C ATOM 447 C GLN A 32 6.358 -0.211 -18.996 1.00 0.00 C ATOM 448 O GLN A 32 7.443 0.361 -19.140 1.00 0.00 O ATOM 449 CB GLN A 32 5.787 -2.198 -20.495 1.00 0.00 C ATOM 450 CG GLN A 32 6.057 -3.690 -20.821 1.00 0.00 C ATOM 451 CD GLN A 32 5.719 -4.082 -22.269 1.00 0.00 C ATOM 452 OE1 GLN A 32 5.424 -5.355 -22.496 1.00 0.00 O flip ATOM 453 NE2 GLN A 32 5.760 -3.256 -23.184 1.00 0.00 N flip ATOM 0 H GLN A 32 4.625 -2.883 -18.385 1.00 0.00 H new ATOM 0 HA GLN A 32 7.263 -2.159 -18.920 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.717 -2.008 -20.580 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.282 -1.580 -21.244 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.108 -3.909 -20.632 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.474 -4.312 -20.141 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.989 -2.283 -22.983 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.564 -3.546 -24.142 1.00 0.00 H new ATOM 462 N VAL A 33 5.212 0.426 -18.698 1.00 0.00 N ATOM 463 CA VAL A 33 5.114 1.896 -18.525 1.00 0.00 C ATOM 464 C VAL A 33 5.874 2.398 -17.267 1.00 0.00 C ATOM 465 O VAL A 33 6.369 3.533 -17.233 1.00 0.00 O ATOM 466 CB VAL A 33 3.604 2.353 -18.461 1.00 0.00 C ATOM 467 CG1 VAL A 33 2.857 1.949 -19.764 1.00 0.00 C ATOM 468 CG2 VAL A 33 2.870 1.795 -17.196 1.00 0.00 C ATOM 0 H VAL A 33 4.324 -0.059 -18.569 1.00 0.00 H new ATOM 0 HA VAL A 33 5.590 2.345 -19.397 1.00 0.00 H new ATOM 0 HB VAL A 33 3.595 3.440 -18.377 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.818 2.272 -19.703 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.335 2.425 -20.620 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.894 0.866 -19.884 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.835 2.136 -17.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.893 0.705 -17.213 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.370 2.154 -16.297 1.00 0.00 H new ATOM 478 N CYS A 34 5.950 1.523 -16.246 1.00 0.00 N ATOM 479 CA CYS A 34 6.533 1.853 -14.916 1.00 0.00 C ATOM 480 C CYS A 34 8.055 2.072 -14.981 1.00 0.00 C ATOM 481 O CYS A 34 8.578 3.030 -14.412 1.00 0.00 O ATOM 482 CB CYS A 34 6.240 0.714 -13.923 1.00 0.00 C ATOM 483 SG CYS A 34 6.249 1.168 -12.164 1.00 0.00 S ATOM 0 H CYS A 34 5.610 0.564 -16.313 1.00 0.00 H new ATOM 0 HA CYS A 34 6.071 2.783 -14.586 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.265 0.291 -14.164 1.00 0.00 H new ATOM 0 HB3 CYS A 34 6.976 -0.075 -14.078 1.00 0.00 H new ATOM 488 N VAL A 35 8.751 1.147 -15.661 1.00 0.00 N ATOM 489 CA VAL A 35 10.234 1.099 -15.708 1.00 0.00 C ATOM 490 C VAL A 35 10.758 1.267 -17.147 1.00 0.00 C ATOM 491 O VAL A 35 11.915 0.939 -17.427 1.00 0.00 O ATOM 492 CB VAL A 35 10.772 -0.247 -15.072 1.00 0.00 C ATOM 493 CG1 VAL A 35 10.637 -0.228 -13.526 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.046 -1.475 -15.685 1.00 0.00 C ATOM 0 H VAL A 35 8.305 0.404 -16.199 1.00 0.00 H new ATOM 0 HA VAL A 35 10.610 1.935 -15.118 1.00 0.00 H new ATOM 0 HB VAL A 35 11.833 -0.332 -15.309 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.014 -1.165 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.214 0.603 -13.121 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.588 -0.109 -13.254 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.432 -2.389 -15.233 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.976 -1.399 -15.492 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.220 -1.501 -16.761 1.00 0.00 H new ATOM 504 N GLY A 36 9.889 1.770 -18.052 1.00 0.00 N ATOM 505 CA GLY A 36 10.283 2.101 -19.431 1.00 0.00 C ATOM 506 C GLY A 36 10.708 0.895 -20.267 1.00 0.00 C ATOM 507 O GLY A 36 11.472 1.039 -21.228 1.00 0.00 O ATOM 0 H GLY A 36 8.907 1.955 -17.846 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.448 2.596 -19.927 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.105 2.816 -19.400 1.00 0.00 H new ATOM 511 N VAL A 37 10.219 -0.297 -19.887 1.00 0.00 N ATOM 512 CA VAL A 37 10.514 -1.552 -20.597 1.00 0.00 C ATOM 513 C VAL A 37 9.762 -1.590 -21.938 1.00 0.00 C ATOM 514 O VAL A 37 8.534 -1.470 -21.983 1.00 0.00 O ATOM 515 CB VAL A 37 10.173 -2.809 -19.697 1.00 0.00 C ATOM 516 CG1 VAL A 37 9.988 -4.115 -20.507 1.00 0.00 C ATOM 517 CG2 VAL A 37 11.280 -2.990 -18.633 1.00 0.00 C ATOM 0 H VAL A 37 9.608 -0.417 -19.079 1.00 0.00 H new ATOM 0 HA VAL A 37 11.583 -1.592 -20.808 1.00 0.00 H new ATOM 0 HB VAL A 37 9.213 -2.612 -19.220 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.757 -4.935 -19.827 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.170 -3.990 -21.217 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.907 -4.341 -21.048 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.049 -3.855 -18.011 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.239 -3.145 -19.128 1.00 0.00 H new ATOM 0 HG23 VAL A 37 11.334 -2.098 -18.009 1.00 0.00 H new ATOM 527 N SER A 38 10.537 -1.723 -23.019 1.00 0.00 N ATOM 528 CA SER A 38 10.025 -1.877 -24.382 1.00 0.00 C ATOM 529 C SER A 38 9.483 -3.309 -24.583 1.00 0.00 C ATOM 530 O SER A 38 9.882 -4.215 -23.839 1.00 0.00 O ATOM 531 CB SER A 38 11.172 -1.592 -25.376 1.00 0.00 C ATOM 532 OG SER A 38 12.255 -2.485 -25.159 1.00 0.00 O ATOM 0 H SER A 38 11.556 -1.727 -22.969 1.00 0.00 H new ATOM 0 HA SER A 38 9.209 -1.175 -24.555 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.808 -1.695 -26.398 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.513 -0.563 -25.261 1.00 0.00 H new ATOM 0 HG SER A 38 12.972 -2.291 -25.798 1.00 0.00 H new ATOM 538 N PRO A 39 8.562 -3.538 -25.584 1.00 0.00 N ATOM 539 CA PRO A 39 8.150 -4.899 -26.006 1.00 0.00 C ATOM 540 C PRO A 39 9.335 -5.846 -26.308 1.00 0.00 C ATOM 541 O PRO A 39 9.195 -7.052 -26.166 1.00 0.00 O ATOM 542 CB PRO A 39 7.312 -4.632 -27.272 1.00 0.00 C ATOM 543 CG PRO A 39 6.710 -3.291 -27.029 1.00 0.00 C ATOM 544 CD PRO A 39 7.790 -2.498 -26.326 1.00 0.00 C ATOM 0 HA PRO A 39 7.609 -5.417 -25.214 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.932 -4.635 -28.169 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.546 -5.394 -27.412 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.417 -2.815 -27.965 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.813 -3.367 -26.415 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.420 -1.961 -27.036 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.366 -1.755 -25.650 1.00 0.00 H new ATOM 552 N GLU A 40 10.489 -5.268 -26.712 1.00 0.00 N ATOM 553 CA GLU A 40 11.747 -6.011 -26.948 1.00 0.00 C ATOM 554 C GLU A 40 12.273 -6.616 -25.630 1.00 0.00 C ATOM 555 O GLU A 40 12.576 -7.809 -25.557 1.00 0.00 O ATOM 556 CB GLU A 40 12.826 -5.066 -27.560 1.00 0.00 C ATOM 557 CG GLU A 40 14.206 -5.721 -27.826 1.00 0.00 C ATOM 558 CD GLU A 40 15.248 -4.742 -28.409 1.00 0.00 C ATOM 559 OE1 GLU A 40 15.786 -3.911 -27.645 1.00 0.00 O ATOM 560 OE2 GLU A 40 15.532 -4.789 -29.632 1.00 0.00 O ATOM 0 H GLU A 40 10.574 -4.266 -26.884 1.00 0.00 H new ATOM 0 HA GLU A 40 11.541 -6.819 -27.650 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.445 -4.667 -28.500 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.967 -4.220 -26.888 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.589 -6.135 -26.893 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.077 -6.555 -28.515 1.00 0.00 H new ATOM 567 N MET A 41 12.365 -5.762 -24.589 1.00 0.00 N ATOM 568 CA MET A 41 12.883 -6.155 -23.257 1.00 0.00 C ATOM 569 C MET A 41 11.915 -7.135 -22.560 1.00 0.00 C ATOM 570 O MET A 41 12.344 -8.027 -21.824 1.00 0.00 O ATOM 571 CB MET A 41 13.121 -4.898 -22.377 1.00 0.00 C ATOM 572 CG MET A 41 14.157 -3.925 -22.946 1.00 0.00 C ATOM 573 SD MET A 41 15.787 -4.676 -23.103 1.00 0.00 S ATOM 574 CE MET A 41 16.657 -3.453 -24.079 1.00 0.00 C ATOM 0 H MET A 41 12.084 -4.783 -24.645 1.00 0.00 H new ATOM 0 HA MET A 41 13.837 -6.665 -23.396 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.175 -4.372 -22.250 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.444 -5.217 -21.386 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.825 -3.575 -23.923 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.223 -3.050 -22.300 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.680 -3.787 -24.253 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.150 -3.323 -25.035 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.671 -2.504 -23.544 1.00 0.00 H new ATOM 584 N ALA A 42 10.604 -6.951 -22.817 1.00 0.00 N ATOM 585 CA ALA A 42 9.532 -7.822 -22.292 1.00 0.00 C ATOM 586 C ALA A 42 9.366 -9.115 -23.127 1.00 0.00 C ATOM 587 O ALA A 42 8.716 -10.049 -22.676 1.00 0.00 O ATOM 588 CB ALA A 42 8.212 -7.039 -22.243 1.00 0.00 C ATOM 0 H ALA A 42 10.257 -6.189 -23.399 1.00 0.00 H new ATOM 0 HA ALA A 42 9.814 -8.130 -21.285 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.422 -7.682 -21.856 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.327 -6.173 -21.592 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.949 -6.706 -23.247 1.00 0.00 H new ATOM 594 N GLU A 43 9.927 -9.141 -24.356 1.00 0.00 N ATOM 595 CA GLU A 43 9.946 -10.350 -25.220 1.00 0.00 C ATOM 596 C GLU A 43 11.087 -11.277 -24.778 1.00 0.00 C ATOM 597 O GLU A 43 10.904 -12.489 -24.582 1.00 0.00 O ATOM 598 CB GLU A 43 10.148 -9.938 -26.713 1.00 0.00 C ATOM 599 CG GLU A 43 10.160 -11.089 -27.740 1.00 0.00 C ATOM 600 CD GLU A 43 8.803 -11.793 -27.912 1.00 0.00 C ATOM 601 OE1 GLU A 43 7.963 -11.305 -28.700 1.00 0.00 O ATOM 602 OE2 GLU A 43 8.556 -12.825 -27.251 1.00 0.00 O ATOM 0 H GLU A 43 10.379 -8.330 -24.779 1.00 0.00 H new ATOM 0 HA GLU A 43 8.995 -10.874 -25.124 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.355 -9.242 -26.987 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.090 -9.396 -26.795 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.478 -10.696 -28.706 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.903 -11.826 -27.435 1.00 0.00 H new ATOM 609 N LYS A 44 12.269 -10.661 -24.624 1.00 0.00 N ATOM 610 CA LYS A 44 13.521 -11.339 -24.259 1.00 0.00 C ATOM 611 C LYS A 44 13.481 -11.820 -22.793 1.00 0.00 C ATOM 612 O LYS A 44 13.911 -12.938 -22.491 1.00 0.00 O ATOM 613 CB LYS A 44 14.698 -10.359 -24.495 1.00 0.00 C ATOM 614 CG LYS A 44 16.103 -10.901 -24.160 1.00 0.00 C ATOM 615 CD LYS A 44 16.565 -12.076 -25.047 1.00 0.00 C ATOM 616 CE LYS A 44 17.959 -12.599 -24.636 1.00 0.00 C ATOM 617 NZ LYS A 44 18.993 -11.523 -24.628 1.00 0.00 N ATOM 0 H LYS A 44 12.383 -9.656 -24.753 1.00 0.00 H new ATOM 0 HA LYS A 44 13.655 -12.224 -24.881 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.687 -10.054 -25.541 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.524 -9.463 -23.900 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.823 -10.088 -24.252 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.116 -11.222 -23.118 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.840 -12.887 -24.981 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.591 -11.756 -26.089 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.898 -13.047 -23.644 1.00 0.00 H new ATOM 0 HE3 LYS A 44 18.265 -13.388 -25.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.932 -11.942 -24.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.788 -10.839 -25.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.981 -11.037 -23.708 1.00 0.00 H new ATOM 631 N GLU A 45 12.967 -10.944 -21.898 1.00 0.00 N ATOM 632 CA GLU A 45 12.749 -11.236 -20.452 1.00 0.00 C ATOM 633 C GLU A 45 14.049 -11.528 -19.684 1.00 0.00 C ATOM 634 O GLU A 45 14.027 -12.124 -18.596 1.00 0.00 O ATOM 635 CB GLU A 45 11.726 -12.384 -20.263 1.00 0.00 C ATOM 636 CG GLU A 45 10.331 -12.060 -20.811 1.00 0.00 C ATOM 637 CD GLU A 45 9.309 -13.176 -20.558 1.00 0.00 C ATOM 638 OE1 GLU A 45 8.756 -13.241 -19.440 1.00 0.00 O ATOM 639 OE2 GLU A 45 9.060 -14.000 -21.469 1.00 0.00 O ATOM 0 H GLU A 45 12.686 -9.999 -22.159 1.00 0.00 H new ATOM 0 HA GLU A 45 12.338 -10.324 -20.020 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.102 -13.280 -20.757 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.645 -12.616 -19.201 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.973 -11.138 -20.354 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.402 -11.877 -21.883 1.00 0.00 H new ATOM 646 N ASP A 46 15.171 -11.052 -20.228 1.00 0.00 N ATOM 647 CA ASP A 46 16.493 -11.143 -19.565 1.00 0.00 C ATOM 648 C ASP A 46 16.731 -9.901 -18.670 1.00 0.00 C ATOM 649 O ASP A 46 17.880 -9.594 -18.317 1.00 0.00 O ATOM 650 CB ASP A 46 17.640 -11.311 -20.622 1.00 0.00 C ATOM 651 CG ASP A 46 18.005 -10.049 -21.450 1.00 0.00 C ATOM 652 OD1 ASP A 46 17.160 -9.136 -21.606 1.00 0.00 O ATOM 653 OD2 ASP A 46 19.134 -9.991 -21.996 1.00 0.00 O ATOM 0 H ASP A 46 15.199 -10.592 -21.138 1.00 0.00 H new ATOM 0 HA ASP A 46 16.502 -12.028 -18.929 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.536 -11.650 -20.103 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.354 -12.103 -21.314 1.00 0.00 H new ATOM 658 N TYR A 47 15.619 -9.212 -18.300 1.00 0.00 N ATOM 659 CA TYR A 47 15.632 -7.939 -17.570 1.00 0.00 C ATOM 660 C TYR A 47 15.971 -8.166 -16.082 1.00 0.00 C ATOM 661 O TYR A 47 15.105 -8.173 -15.194 1.00 0.00 O ATOM 662 CB TYR A 47 14.278 -7.201 -17.762 1.00 0.00 C ATOM 663 CG TYR A 47 14.241 -5.769 -17.184 1.00 0.00 C ATOM 664 CD1 TYR A 47 15.129 -4.788 -17.646 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.314 -5.395 -16.202 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.094 -3.497 -17.147 1.00 0.00 C ATOM 667 CE2 TYR A 47 13.283 -4.105 -15.703 1.00 0.00 C ATOM 668 CZ TYR A 47 14.169 -3.164 -16.181 1.00 0.00 C ATOM 669 OH TYR A 47 14.124 -1.877 -15.693 1.00 0.00 O ATOM 0 H TYR A 47 14.677 -9.541 -18.510 1.00 0.00 H new ATOM 0 HA TYR A 47 16.415 -7.299 -17.977 1.00 0.00 H new ATOM 0 HB2 TYR A 47 14.052 -7.155 -18.827 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.489 -7.789 -17.293 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.854 -5.044 -18.405 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.612 -6.126 -15.828 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.788 -2.755 -17.513 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.566 -3.836 -14.941 1.00 0.00 H new ATOM 0 HH TYR A 47 13.416 -1.807 -15.019 1.00 0.00 H new ATOM 679 N ILE A 48 17.257 -8.427 -15.861 1.00 0.00 N ATOM 680 CA ILE A 48 17.869 -8.580 -14.550 1.00 0.00 C ATOM 681 C ILE A 48 18.680 -7.293 -14.333 1.00 0.00 C ATOM 682 O ILE A 48 19.699 -7.078 -15.002 1.00 0.00 O ATOM 683 CB ILE A 48 18.772 -9.893 -14.486 1.00 0.00 C ATOM 684 CG1 ILE A 48 17.906 -11.201 -14.310 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.858 -9.813 -13.382 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.014 -11.588 -15.486 1.00 0.00 C ATOM 0 H ILE A 48 17.925 -8.542 -16.623 1.00 0.00 H new ATOM 0 HA ILE A 48 17.130 -8.711 -13.760 1.00 0.00 H new ATOM 0 HB ILE A 48 19.281 -9.950 -15.448 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.581 -12.032 -14.105 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.276 -11.077 -13.429 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.444 -10.732 -13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.513 -8.964 -13.577 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.380 -9.687 -12.410 1.00 0.00 H new ATOM 0 HD11 ILE A 48 16.470 -12.501 -15.245 1.00 0.00 H new ATOM 0 HD12 ILE A 48 16.304 -10.785 -15.684 1.00 0.00 H new ATOM 0 HD13 ILE A 48 17.629 -11.755 -16.370 1.00 0.00 H new ATOM 698 N CYS A 49 18.157 -6.399 -13.461 1.00 0.00 N ATOM 699 CA CYS A 49 18.729 -5.046 -13.246 1.00 0.00 C ATOM 700 C CYS A 49 20.198 -5.122 -12.787 1.00 0.00 C ATOM 701 O CYS A 49 20.606 -6.136 -12.200 1.00 0.00 O ATOM 702 CB CYS A 49 17.880 -4.231 -12.235 1.00 0.00 C ATOM 703 SG CYS A 49 18.081 -4.694 -10.482 1.00 0.00 S ATOM 0 H CYS A 49 17.334 -6.592 -12.891 1.00 0.00 H new ATOM 0 HA CYS A 49 18.704 -4.527 -14.204 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.131 -3.176 -12.345 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.829 -4.338 -12.502 1.00 0.00 H new ATOM 708 N VAL A 50 20.955 -4.040 -13.039 1.00 0.00 N ATOM 709 CA VAL A 50 22.429 -4.000 -12.896 1.00 0.00 C ATOM 710 C VAL A 50 22.920 -4.508 -11.516 1.00 0.00 C ATOM 711 O VAL A 50 23.905 -5.243 -11.446 1.00 0.00 O ATOM 712 CB VAL A 50 22.974 -2.546 -13.152 1.00 0.00 C ATOM 713 CG1 VAL A 50 24.518 -2.473 -13.017 1.00 0.00 C ATOM 714 CG2 VAL A 50 22.500 -2.006 -14.527 1.00 0.00 C ATOM 0 H VAL A 50 20.559 -3.154 -13.352 1.00 0.00 H new ATOM 0 HA VAL A 50 22.826 -4.680 -13.650 1.00 0.00 H new ATOM 0 HB VAL A 50 22.556 -1.903 -12.378 1.00 0.00 H new ATOM 0 HG11 VAL A 50 24.851 -1.452 -13.202 1.00 0.00 H new ATOM 0 HG12 VAL A 50 24.810 -2.774 -12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.979 -3.142 -13.744 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.891 -1.000 -14.677 1.00 0.00 H new ATOM 0 HG22 VAL A 50 22.865 -2.659 -15.320 1.00 0.00 H new ATOM 0 HG23 VAL A 50 21.411 -1.979 -14.551 1.00 0.00 H new ATOM 724 N ARG A 51 22.189 -4.152 -10.443 1.00 0.00 N ATOM 725 CA ARG A 51 22.526 -4.559 -9.063 1.00 0.00 C ATOM 726 C ARG A 51 22.422 -6.088 -8.875 1.00 0.00 C ATOM 727 O ARG A 51 23.243 -6.681 -8.178 1.00 0.00 O ATOM 728 CB ARG A 51 21.626 -3.826 -8.040 1.00 0.00 C ATOM 729 CG ARG A 51 21.778 -2.290 -8.046 1.00 0.00 C ATOM 730 CD ARG A 51 23.236 -1.845 -7.799 1.00 0.00 C ATOM 731 NE ARG A 51 23.759 -2.338 -6.507 1.00 0.00 N ATOM 732 CZ ARG A 51 25.041 -2.638 -6.245 1.00 0.00 C ATOM 733 NH1 ARG A 51 25.976 -2.565 -7.190 1.00 0.00 N ATOM 734 NH2 ARG A 51 25.369 -3.047 -5.034 1.00 0.00 N ATOM 0 H ARG A 51 21.350 -3.576 -10.506 1.00 0.00 H new ATOM 0 HA ARG A 51 23.563 -4.274 -8.885 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.585 -4.077 -8.244 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.854 -4.198 -7.041 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.438 -1.897 -9.004 1.00 0.00 H new ATOM 0 HG3 ARG A 51 21.134 -1.860 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 51 23.868 -2.211 -8.608 1.00 0.00 H new ATOM 0 HD3 ARG A 51 23.290 -0.757 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 51 23.088 -2.461 -5.749 1.00 0.00 H new ATOM 0 HH11 ARG A 51 25.724 -2.276 -8.135 1.00 0.00 H new ATOM 0 HH12 ARG A 51 26.944 -2.798 -6.969 1.00 0.00 H new ATOM 0 HH21 ARG A 51 24.653 -3.131 -4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 51 26.339 -3.279 -4.819 1.00 0.00 H new ATOM 748 N CYS A 52 21.422 -6.713 -9.523 1.00 0.00 N ATOM 749 CA CYS A 52 21.248 -8.189 -9.522 1.00 0.00 C ATOM 750 C CYS A 52 22.361 -8.889 -10.324 1.00 0.00 C ATOM 751 O CYS A 52 22.718 -10.037 -10.025 1.00 0.00 O ATOM 752 CB CYS A 52 19.873 -8.580 -10.093 1.00 0.00 C ATOM 753 SG CYS A 52 18.479 -8.184 -9.026 1.00 0.00 S ATOM 0 H CYS A 52 20.711 -6.218 -10.062 1.00 0.00 H new ATOM 0 HA CYS A 52 21.310 -8.520 -8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.735 -8.077 -11.050 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.868 -9.652 -10.292 1.00 0.00 H new ATOM 758 N THR A 53 22.874 -8.196 -11.354 1.00 0.00 N ATOM 759 CA THR A 53 23.997 -8.685 -12.178 1.00 0.00 C ATOM 760 C THR A 53 25.324 -8.620 -11.376 1.00 0.00 C ATOM 761 O THR A 53 26.203 -9.479 -11.535 1.00 0.00 O ATOM 762 CB THR A 53 24.109 -7.860 -13.511 1.00 0.00 C ATOM 763 OG1 THR A 53 22.802 -7.745 -14.101 1.00 0.00 O ATOM 764 CG2 THR A 53 25.075 -8.518 -14.526 1.00 0.00 C ATOM 0 H THR A 53 22.524 -7.282 -11.640 1.00 0.00 H new ATOM 0 HA THR A 53 23.805 -9.725 -12.441 1.00 0.00 H new ATOM 0 HB THR A 53 24.511 -6.877 -13.265 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.863 -7.230 -14.933 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.120 -7.912 -15.431 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.070 -8.589 -14.087 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.716 -9.517 -14.775 1.00 0.00 H new ATOM 772 N VAL A 54 25.434 -7.590 -10.504 1.00 0.00 N ATOM 773 CA VAL A 54 26.553 -7.433 -9.544 1.00 0.00 C ATOM 774 C VAL A 54 26.495 -8.548 -8.478 1.00 0.00 C ATOM 775 O VAL A 54 27.527 -9.124 -8.116 1.00 0.00 O ATOM 776 CB VAL A 54 26.528 -6.007 -8.863 1.00 0.00 C ATOM 777 CG1 VAL A 54 27.599 -5.881 -7.742 1.00 0.00 C ATOM 778 CG2 VAL A 54 26.701 -4.892 -9.927 1.00 0.00 C ATOM 0 H VAL A 54 24.745 -6.840 -10.446 1.00 0.00 H new ATOM 0 HA VAL A 54 27.490 -7.519 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 54 25.554 -5.885 -8.390 1.00 0.00 H new ATOM 0 HG11 VAL A 54 27.548 -4.886 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.410 -6.630 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 54 28.590 -6.039 -8.167 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.681 -3.917 -9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.654 -5.022 -10.439 1.00 0.00 H new ATOM 0 HG23 VAL A 54 25.889 -4.952 -10.652 1.00 0.00 H new ATOM 788 N LYS A 55 25.264 -8.845 -7.997 1.00 0.00 N ATOM 789 CA LYS A 55 24.995 -9.971 -7.077 1.00 0.00 C ATOM 790 C LYS A 55 25.407 -11.303 -7.730 1.00 0.00 C ATOM 791 O LYS A 55 25.898 -12.214 -7.041 1.00 0.00 O ATOM 792 CB LYS A 55 23.483 -10.028 -6.700 1.00 0.00 C ATOM 793 CG LYS A 55 22.963 -8.839 -5.860 1.00 0.00 C ATOM 794 CD LYS A 55 23.516 -8.829 -4.417 1.00 0.00 C ATOM 795 CE LYS A 55 22.890 -7.710 -3.561 1.00 0.00 C ATOM 796 NZ LYS A 55 23.291 -7.811 -2.139 1.00 0.00 N ATOM 0 H LYS A 55 24.430 -8.309 -8.238 1.00 0.00 H new ATOM 0 HA LYS A 55 25.581 -9.813 -6.171 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.899 -10.085 -7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.298 -10.949 -6.148 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.236 -7.906 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.874 -8.875 -5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.322 -9.794 -3.949 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.598 -8.700 -4.445 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.192 -6.740 -3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.804 -7.760 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.849 -7.041 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.981 -8.726 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.326 -7.737 -2.064 1.00 0.00 H new ATOM 810 N ASP A 56 25.173 -11.390 -9.068 1.00 0.00 N ATOM 811 CA ASP A 56 25.491 -12.572 -9.895 1.00 0.00 C ATOM 812 C ASP A 56 24.729 -13.818 -9.353 1.00 0.00 C ATOM 813 O ASP A 56 25.198 -14.956 -9.420 1.00 0.00 O ATOM 814 CB ASP A 56 27.050 -12.749 -9.964 1.00 0.00 C ATOM 815 CG ASP A 56 27.539 -13.877 -10.892 1.00 0.00 C ATOM 816 OD1 ASP A 56 27.393 -13.751 -12.126 1.00 0.00 O ATOM 817 OD2 ASP A 56 28.066 -14.900 -10.388 1.00 0.00 O ATOM 0 H ASP A 56 24.753 -10.629 -9.602 1.00 0.00 H new ATOM 0 HA ASP A 56 25.149 -12.439 -10.921 1.00 0.00 H new ATOM 0 HB2 ASP A 56 27.492 -11.810 -10.295 1.00 0.00 H new ATOM 0 HB3 ASP A 56 27.423 -12.940 -8.958 1.00 0.00 H new ATOM 822 N ALA A 57 23.511 -13.567 -8.830 1.00 0.00 N ATOM 823 CA ALA A 57 22.677 -14.589 -8.180 1.00 0.00 C ATOM 824 C ALA A 57 21.215 -14.451 -8.653 1.00 0.00 C ATOM 825 O ALA A 57 20.433 -13.710 -8.043 1.00 0.00 O ATOM 826 CB ALA A 57 22.800 -14.485 -6.641 1.00 0.00 C ATOM 0 H ALA A 57 23.080 -12.643 -8.849 1.00 0.00 H new ATOM 0 HA ALA A 57 23.027 -15.581 -8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 57 22.177 -15.248 -6.174 1.00 0.00 H new ATOM 0 HB2 ALA A 57 23.839 -14.636 -6.348 1.00 0.00 H new ATOM 0 HB3 ALA A 57 22.471 -13.498 -6.316 1.00 0.00 H new ATOM 832 N PRO A 58 20.846 -15.096 -9.807 1.00 0.00 N ATOM 833 CA PRO A 58 19.441 -15.242 -10.220 1.00 0.00 C ATOM 834 C PRO A 58 18.801 -16.493 -9.575 1.00 0.00 C ATOM 835 O PRO A 58 19.508 -17.397 -9.109 1.00 0.00 O ATOM 836 CB PRO A 58 19.560 -15.364 -11.754 1.00 0.00 C ATOM 837 CG PRO A 58 20.851 -16.110 -11.967 1.00 0.00 C ATOM 838 CD PRO A 58 21.772 -15.706 -10.819 1.00 0.00 C ATOM 0 HA PRO A 58 18.796 -14.419 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 58 18.713 -15.905 -12.177 1.00 0.00 H new ATOM 0 HB3 PRO A 58 19.583 -14.384 -12.231 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.682 -17.187 -11.970 1.00 0.00 H new ATOM 0 HG3 PRO A 58 21.294 -15.854 -12.930 1.00 0.00 H new ATOM 0 HD2 PRO A 58 22.300 -16.567 -10.409 1.00 0.00 H new ATOM 0 HD3 PRO A 58 22.530 -14.994 -11.147 1.00 0.00 H new ATOM 846 N SER A 59 17.466 -16.531 -9.533 1.00 0.00 N ATOM 847 CA SER A 59 16.714 -17.704 -9.062 1.00 0.00 C ATOM 848 C SER A 59 16.651 -18.745 -10.202 1.00 0.00 C ATOM 849 O SER A 59 15.662 -18.843 -10.931 1.00 0.00 O ATOM 850 CB SER A 59 15.308 -17.281 -8.565 1.00 0.00 C ATOM 851 OG SER A 59 14.583 -18.378 -8.020 1.00 0.00 O ATOM 0 H SER A 59 16.874 -15.752 -9.823 1.00 0.00 H new ATOM 0 HA SER A 59 17.218 -18.162 -8.211 1.00 0.00 H new ATOM 0 HB2 SER A 59 15.410 -16.502 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.745 -16.850 -9.393 1.00 0.00 H new ATOM 0 HG SER A 59 13.703 -18.070 -7.717 1.00 0.00 H new ATOM 857 N ARG A 60 17.774 -19.476 -10.377 1.00 0.00 N ATOM 858 CA ARG A 60 17.923 -20.545 -11.387 1.00 0.00 C ATOM 859 C ARG A 60 18.366 -21.856 -10.710 1.00 0.00 C ATOM 860 O ARG A 60 18.878 -22.767 -11.372 1.00 0.00 O ATOM 861 CB ARG A 60 18.948 -20.129 -12.488 1.00 0.00 C ATOM 862 CG ARG A 60 18.494 -18.981 -13.419 1.00 0.00 C ATOM 863 CD ARG A 60 19.384 -18.860 -14.673 1.00 0.00 C ATOM 864 NE ARG A 60 19.434 -20.141 -15.417 1.00 0.00 N ATOM 865 CZ ARG A 60 19.914 -20.324 -16.653 1.00 0.00 C ATOM 866 NH1 ARG A 60 20.351 -19.308 -17.378 1.00 0.00 N ATOM 867 NH2 ARG A 60 19.948 -21.547 -17.163 1.00 0.00 N ATOM 0 H ARG A 60 18.613 -19.338 -9.813 1.00 0.00 H new ATOM 0 HA ARG A 60 16.956 -20.704 -11.865 1.00 0.00 H new ATOM 0 HB2 ARG A 60 19.877 -19.833 -12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 60 19.172 -21.003 -13.100 1.00 0.00 H new ATOM 0 HG2 ARG A 60 17.461 -19.150 -13.724 1.00 0.00 H new ATOM 0 HG3 ARG A 60 18.514 -18.040 -12.869 1.00 0.00 H new ATOM 0 HD2 ARG A 60 18.998 -18.074 -15.322 1.00 0.00 H new ATOM 0 HD3 ARG A 60 20.392 -18.566 -14.380 1.00 0.00 H new ATOM 0 HE ARG A 60 19.066 -20.964 -14.940 1.00 0.00 H new ATOM 0 HH11 ARG A 60 20.326 -18.362 -16.997 1.00 0.00 H new ATOM 0 HH12 ARG A 60 20.713 -19.470 -18.318 1.00 0.00 H new ATOM 0 HH21 ARG A 60 19.610 -22.338 -16.614 1.00 0.00 H new ATOM 0 HH22 ARG A 60 20.312 -21.697 -18.104 1.00 0.00 H new ATOM 881 N LYS A 61 18.131 -21.956 -9.394 1.00 0.00 N ATOM 882 CA LYS A 61 18.555 -23.108 -8.575 1.00 0.00 C ATOM 883 C LYS A 61 17.516 -23.370 -7.456 1.00 0.00 C ATOM 884 O LYS A 61 17.111 -22.402 -6.768 1.00 0.00 O ATOM 885 CB LYS A 61 19.982 -22.873 -8.004 1.00 0.00 C ATOM 886 CG LYS A 61 20.192 -21.506 -7.314 1.00 0.00 C ATOM 887 CD LYS A 61 21.621 -21.340 -6.749 1.00 0.00 C ATOM 888 CE LYS A 61 21.929 -22.339 -5.618 1.00 0.00 C ATOM 889 NZ LYS A 61 23.287 -22.147 -5.059 1.00 0.00 N ATOM 890 OXT LYS A 61 17.096 -24.530 -7.280 1.00 0.00 O ATOM 0 H LYS A 61 17.639 -21.238 -8.862 1.00 0.00 H new ATOM 0 HA LYS A 61 18.602 -24.000 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 61 20.205 -23.663 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.702 -22.967 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 61 19.993 -20.708 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.470 -21.397 -6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 61 22.344 -21.473 -7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 61 21.744 -20.324 -6.375 1.00 0.00 H new ATOM 0 HE2 LYS A 61 21.191 -22.225 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 61 21.834 -23.356 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 23.452 -22.840 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 23.994 -22.281 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.371 -21.185 -4.673 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 4.696 0.024 -10.822 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.941 -6.602 -9.766 1.00 0.00 ZN