USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.2! USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -42.8! C(o=-48!,f=-43!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -169:sc= -1.52 (180deg=-1.81!) USER MOD Single : A 50 SER OG : rot -51:sc= 0.0335 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.00786 X(o=-0.0079,f=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 150:sc= -0.0443 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -26.865 -2.598 -5.631 1.00 0.00 N ATOM 2 CA ALA A 2 -27.167 -1.209 -6.066 1.00 0.00 C ATOM 3 C ALA A 2 -26.705 -0.971 -7.498 1.00 0.00 C ATOM 4 O ALA A 2 -25.507 -0.888 -7.770 1.00 0.00 O ATOM 5 CB ALA A 2 -26.508 -0.209 -5.126 1.00 0.00 C ATOM 0 HA ALA A 2 -28.247 -1.069 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.736 0.805 -5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -26.887 -0.356 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.428 -0.359 -5.135 1.00 0.00 H new ATOM 10 N SER A 3 -27.663 -0.861 -8.413 1.00 0.00 N ATOM 11 CA SER A 3 -27.355 -0.632 -9.820 1.00 0.00 C ATOM 12 C SER A 3 -26.579 0.669 -10.004 1.00 0.00 C ATOM 13 O SER A 3 -25.798 0.808 -10.946 1.00 0.00 O ATOM 14 CB SER A 3 -28.642 -0.592 -10.644 1.00 0.00 C ATOM 15 OG SER A 3 -29.038 -1.895 -11.038 1.00 0.00 O ATOM 0 H SER A 3 -28.659 -0.927 -8.205 1.00 0.00 H new ATOM 0 HA SER A 3 -26.733 -1.456 -10.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.437 -0.128 -10.060 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.492 0.028 -11.528 1.00 0.00 H new ATOM 0 HG SER A 3 -29.864 -1.841 -11.562 1.00 0.00 H new ATOM 21 N THR A 4 -26.798 1.619 -9.100 1.00 0.00 N ATOM 22 CA THR A 4 -26.120 2.908 -9.165 1.00 0.00 C ATOM 23 C THR A 4 -24.605 2.731 -9.123 1.00 0.00 C ATOM 24 O THR A 4 -23.886 3.246 -9.979 1.00 0.00 O ATOM 25 CB THR A 4 -26.572 3.804 -8.011 1.00 0.00 C ATOM 26 OG1 THR A 4 -26.139 3.278 -6.768 1.00 0.00 O ATOM 27 CG2 THR A 4 -28.074 3.976 -7.938 1.00 0.00 C ATOM 0 H THR A 4 -27.440 1.520 -8.314 1.00 0.00 H new ATOM 0 HA THR A 4 -26.386 3.382 -10.110 1.00 0.00 H new ATOM 0 HB THR A 4 -26.121 4.777 -8.208 1.00 0.00 H new ATOM 0 HG1 THR A 4 -26.436 3.866 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 4 -28.326 4.623 -7.097 1.00 0.00 H new ATOM 0 HG22 THR A 4 -28.434 4.427 -8.863 1.00 0.00 H new ATOM 0 HG23 THR A 4 -28.545 3.003 -7.801 1.00 0.00 H new ATOM 35 N SER A 5 -24.127 2.000 -8.121 1.00 0.00 N ATOM 36 CA SER A 5 -22.697 1.755 -7.969 1.00 0.00 C ATOM 37 C SER A 5 -22.165 0.899 -9.113 1.00 0.00 C ATOM 38 O SER A 5 -22.871 0.641 -10.088 1.00 0.00 O ATOM 39 CB SER A 5 -22.416 1.070 -6.630 1.00 0.00 C ATOM 40 OG SER A 5 -21.221 1.562 -6.047 1.00 0.00 O ATOM 0 H SER A 5 -24.708 1.567 -7.403 1.00 0.00 H new ATOM 0 HA SER A 5 -22.185 2.717 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.252 1.237 -5.950 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.336 -0.007 -6.778 1.00 0.00 H new ATOM 0 HG SER A 5 -21.064 1.110 -5.192 1.00 0.00 H new ATOM 46 N ARG A 6 -20.915 0.464 -8.989 1.00 0.00 N ATOM 47 CA ARG A 6 -20.288 -0.363 -10.013 1.00 0.00 C ATOM 48 C ARG A 6 -19.984 -1.759 -9.474 1.00 0.00 C ATOM 49 O ARG A 6 -20.190 -2.759 -10.162 1.00 0.00 O ATOM 50 CB ARG A 6 -19.000 0.298 -10.512 1.00 0.00 C ATOM 51 CG ARG A 6 -19.021 0.629 -11.995 1.00 0.00 C ATOM 52 CD ARG A 6 -17.728 1.294 -12.435 1.00 0.00 C ATOM 53 NE ARG A 6 -17.319 0.868 -13.773 1.00 0.00 N ATOM 54 CZ ARG A 6 -17.825 1.367 -14.897 1.00 0.00 C ATOM 55 NH1 ARG A 6 -18.761 2.307 -14.854 1.00 0.00 N ATOM 56 NH2 ARG A 6 -17.394 0.924 -16.071 1.00 0.00 N ATOM 0 H ARG A 6 -20.317 0.671 -8.189 1.00 0.00 H new ATOM 0 HA ARG A 6 -20.985 -0.460 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.829 1.214 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.159 -0.365 -10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.176 -0.284 -12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -19.862 1.288 -12.210 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -17.855 2.377 -12.422 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.938 1.057 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.603 0.145 -13.848 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -19.097 2.651 -13.955 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -19.144 2.685 -15.720 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.675 0.201 -16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.781 1.306 -16.934 1.00 0.00 H new ATOM 70 N LEU A 7 -19.495 -1.818 -8.239 1.00 0.00 N ATOM 71 CA LEU A 7 -19.163 -3.090 -7.607 1.00 0.00 C ATOM 72 C LEU A 7 -18.756 -2.885 -6.151 1.00 0.00 C ATOM 73 O LEU A 7 -18.243 -1.827 -5.783 1.00 0.00 O ATOM 74 CB LEU A 7 -18.038 -3.788 -8.378 1.00 0.00 C ATOM 75 CG LEU A 7 -18.328 -5.235 -8.777 1.00 0.00 C ATOM 76 CD1 LEU A 7 -17.621 -5.581 -10.079 1.00 0.00 C ATOM 77 CD2 LEU A 7 -17.905 -6.188 -7.669 1.00 0.00 C ATOM 0 H LEU A 7 -19.320 -0.999 -7.656 1.00 0.00 H new ATOM 0 HA LEU A 7 -20.051 -3.722 -7.627 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -17.826 -3.214 -9.280 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.135 -3.769 -7.768 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.402 -5.342 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.839 -6.615 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -17.972 -4.919 -10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.545 -5.458 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.119 -7.214 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.836 -6.079 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.457 -5.955 -6.758 1.00 0.00 H new ATOM 89 N ASP A 8 -18.991 -3.902 -5.326 1.00 0.00 N ATOM 90 CA ASP A 8 -18.651 -3.831 -3.904 1.00 0.00 C ATOM 91 C ASP A 8 -17.192 -3.427 -3.700 1.00 0.00 C ATOM 92 O ASP A 8 -16.896 -2.267 -3.415 1.00 0.00 O ATOM 93 CB ASP A 8 -18.933 -5.170 -3.206 1.00 0.00 C ATOM 94 CG ASP A 8 -18.724 -6.373 -4.110 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.635 -6.481 -4.712 1.00 0.00 O ATOM 96 OD2 ASP A 8 -19.650 -7.203 -4.217 1.00 0.00 O ATOM 0 H ASP A 8 -19.414 -4.784 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 8 -19.282 -3.064 -3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -18.284 -5.262 -2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.960 -5.172 -2.841 1.00 0.00 H new ATOM 101 N ALA A 9 -16.281 -4.387 -3.845 1.00 0.00 N ATOM 102 CA ALA A 9 -14.858 -4.121 -3.674 1.00 0.00 C ATOM 103 C ALA A 9 -14.321 -3.263 -4.812 1.00 0.00 C ATOM 104 O ALA A 9 -14.471 -3.608 -5.984 1.00 0.00 O ATOM 105 CB ALA A 9 -14.084 -5.430 -3.586 1.00 0.00 C ATOM 0 H ALA A 9 -16.504 -5.354 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.725 -3.569 -2.744 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.023 -5.217 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.443 -6.008 -2.735 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -14.232 -6.002 -4.502 1.00 0.00 H new ATOM 111 N LEU A 10 -13.701 -2.140 -4.464 1.00 0.00 N ATOM 112 CA LEU A 10 -13.151 -1.236 -5.468 1.00 0.00 C ATOM 113 C LEU A 10 -11.635 -1.404 -5.609 1.00 0.00 C ATOM 114 O LEU A 10 -11.134 -1.593 -6.716 1.00 0.00 O ATOM 115 CB LEU A 10 -13.501 0.218 -5.132 1.00 0.00 C ATOM 116 CG LEU A 10 -14.996 0.545 -5.155 1.00 0.00 C ATOM 117 CD1 LEU A 10 -15.320 1.644 -4.156 1.00 0.00 C ATOM 118 CD2 LEU A 10 -15.431 0.949 -6.556 1.00 0.00 C ATOM 0 H LEU A 10 -13.567 -1.835 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.603 -1.494 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -13.109 0.451 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.990 0.872 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.548 -0.350 -4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.388 1.862 -4.188 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.046 1.316 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.759 2.543 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -16.497 1.178 -6.554 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.871 1.830 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.237 0.129 -7.248 1.00 0.00 H new ATOM 130 N PRO A 11 -10.875 -1.331 -4.497 1.00 0.00 N ATOM 131 CA PRO A 11 -9.427 -1.470 -4.526 1.00 0.00 C ATOM 132 C PRO A 11 -8.963 -2.915 -4.284 1.00 0.00 C ATOM 133 O PRO A 11 -8.995 -3.738 -5.199 1.00 0.00 O ATOM 134 CB PRO A 11 -9.006 -0.536 -3.391 1.00 0.00 C ATOM 135 CG PRO A 11 -10.114 -0.632 -2.386 1.00 0.00 C ATOM 136 CD PRO A 11 -11.353 -1.097 -3.123 1.00 0.00 C ATOM 0 HA PRO A 11 -8.988 -1.224 -5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.053 -0.842 -2.960 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.881 0.487 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.853 -1.333 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.288 0.334 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.764 -2.005 -2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.141 -0.344 -3.096 1.00 0.00 H new ATOM 144 N ARG A 12 -8.531 -3.223 -3.058 1.00 0.00 N ATOM 145 CA ARG A 12 -8.063 -4.564 -2.716 1.00 0.00 C ATOM 146 C ARG A 12 -7.651 -4.620 -1.248 1.00 0.00 C ATOM 147 O ARG A 12 -7.195 -3.624 -0.687 1.00 0.00 O ATOM 148 CB ARG A 12 -6.880 -4.959 -3.603 1.00 0.00 C ATOM 149 CG ARG A 12 -6.561 -6.446 -3.571 1.00 0.00 C ATOM 150 CD ARG A 12 -5.067 -6.699 -3.430 1.00 0.00 C ATOM 151 NE ARG A 12 -4.534 -7.470 -4.551 1.00 0.00 N ATOM 152 CZ ARG A 12 -3.241 -7.523 -4.867 1.00 0.00 C ATOM 153 NH1 ARG A 12 -2.347 -6.851 -4.151 1.00 0.00 N ATOM 154 NH2 ARG A 12 -2.841 -8.247 -5.902 1.00 0.00 N ATOM 0 H ARG A 12 -8.497 -2.558 -2.285 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.879 -5.267 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.093 -4.664 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.999 -4.401 -3.288 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.089 -6.914 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.925 -6.916 -4.485 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.543 -5.746 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.876 -7.233 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.191 -7.999 -5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.649 -6.290 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.358 -6.896 -4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.523 -8.764 -6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.851 -8.287 -6.144 1.00 0.00 H new ATOM 168 N VAL A 13 -7.818 -5.782 -0.622 1.00 0.00 N ATOM 169 CA VAL A 13 -7.461 -5.937 0.784 1.00 0.00 C ATOM 170 C VAL A 13 -6.859 -7.311 1.073 1.00 0.00 C ATOM 171 O VAL A 13 -7.474 -8.343 0.810 1.00 0.00 O ATOM 172 CB VAL A 13 -8.678 -5.717 1.701 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.207 -4.298 1.553 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.771 -6.734 1.400 1.00 0.00 C ATOM 0 H VAL A 13 -8.194 -6.622 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.710 -5.175 0.994 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.359 -5.858 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.067 -4.160 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.426 -3.588 1.825 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.508 -4.128 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.621 -6.560 2.059 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.089 -6.630 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.386 -7.741 1.562 1.00 0.00 H new ATOM 184 N THR A 14 -5.646 -7.301 1.619 1.00 0.00 N ATOM 185 CA THR A 14 -4.932 -8.531 1.961 1.00 0.00 C ATOM 186 C THR A 14 -4.454 -9.255 0.706 1.00 0.00 C ATOM 187 O THR A 14 -4.808 -8.882 -0.413 1.00 0.00 O ATOM 188 CB THR A 14 -5.808 -9.457 2.812 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.945 -8.769 3.303 1.00 0.00 O ATOM 190 CG2 THR A 14 -5.076 -10.034 4.004 1.00 0.00 C ATOM 0 H THR A 14 -5.132 -6.447 1.836 1.00 0.00 H new ATOM 0 HA THR A 14 -4.057 -8.252 2.548 1.00 0.00 H new ATOM 0 HB THR A 14 -6.098 -10.270 2.147 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.490 -9.380 3.842 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.749 -10.681 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.220 -10.614 3.659 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.731 -9.224 4.646 1.00 0.00 H new ATOM 198 N CYS A 15 -3.608 -10.263 0.900 1.00 0.00 N ATOM 199 CA CYS A 15 -3.034 -11.005 -0.216 1.00 0.00 C ATOM 200 C CYS A 15 -4.054 -11.819 -1.005 1.00 0.00 C ATOM 201 O CYS A 15 -4.819 -12.601 -0.440 1.00 0.00 O ATOM 202 CB CYS A 15 -1.904 -11.906 0.259 1.00 0.00 C ATOM 203 SG CYS A 15 -0.393 -11.698 -0.727 1.00 0.00 S ATOM 0 H CYS A 15 -3.305 -10.584 1.820 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.644 -10.252 -0.900 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.685 -11.689 1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.227 -12.946 0.210 1.00 0.00 H new ATOM 208 N PRO A 16 -4.046 -11.667 -2.348 1.00 0.00 N ATOM 209 CA PRO A 16 -4.940 -12.418 -3.225 1.00 0.00 C ATOM 210 C PRO A 16 -4.598 -13.897 -3.163 1.00 0.00 C ATOM 211 O PRO A 16 -5.472 -14.759 -3.264 1.00 0.00 O ATOM 212 CB PRO A 16 -4.653 -11.850 -4.619 1.00 0.00 C ATOM 213 CG PRO A 16 -3.282 -11.281 -4.522 1.00 0.00 C ATOM 214 CD PRO A 16 -3.137 -10.789 -3.110 1.00 0.00 C ATOM 0 HA PRO A 16 -5.991 -12.327 -2.950 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.706 -12.627 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.380 -11.085 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.529 -12.035 -4.752 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.146 -10.468 -5.235 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.109 -10.873 -2.759 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.420 -9.740 -3.019 1.00 0.00 H new ATOM 222 N ASN A 17 -3.312 -14.174 -2.948 1.00 0.00 N ATOM 223 CA ASN A 17 -2.836 -15.537 -2.813 1.00 0.00 C ATOM 224 C ASN A 17 -3.090 -16.000 -1.385 1.00 0.00 C ATOM 225 O ASN A 17 -3.418 -17.160 -1.136 1.00 0.00 O ATOM 226 CB ASN A 17 -1.345 -15.628 -3.151 1.00 0.00 C ATOM 227 CG ASN A 17 -1.061 -16.632 -4.251 1.00 0.00 C ATOM 228 OD1 ASN A 17 -0.836 -16.261 -5.403 1.00 0.00 O ATOM 229 ND2 ASN A 17 -1.070 -17.912 -3.900 1.00 0.00 N ATOM 0 H ASN A 17 -2.584 -13.464 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.371 -16.181 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.984 -14.646 -3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.789 -15.907 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.886 -18.633 -4.597 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.261 -18.174 -2.933 1.00 0.00 H new ATOM 236 N HIS A 18 -3.009 -15.066 -0.465 1.00 0.00 N ATOM 237 CA HIS A 18 -3.291 -15.365 0.920 1.00 0.00 C ATOM 238 C HIS A 18 -4.113 -14.265 1.561 1.00 0.00 C ATOM 239 O HIS A 18 -3.572 -13.344 2.176 1.00 0.00 O ATOM 240 CB HIS A 18 -2.042 -15.599 1.744 1.00 0.00 C ATOM 241 CG HIS A 18 -0.807 -15.003 1.236 1.00 0.00 C ATOM 242 ND1 HIS A 18 0.094 -14.332 1.943 1.00 0.00 N flip ATOM 243 CD2 HIS A 18 -0.477 -14.930 -0.078 1.00 0.00 C flip ATOM 244 CE1 HIS A 18 0.985 -13.815 1.072 1.00 0.00 C flip ATOM 245 NE2 HIS A 18 0.614 -14.199 -0.132 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.751 -14.097 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.861 -16.294 0.910 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.219 -15.215 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.890 -16.674 1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -1.002 -15.380 -0.908 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.840 -13.202 1.316 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.108 -13.961 -0.992 1.00 0.00 H new ATOM 253 N PRO A 19 -5.442 -14.369 1.454 1.00 0.00 N ATOM 254 CA PRO A 19 -6.350 -13.400 2.057 1.00 0.00 C ATOM 255 C PRO A 19 -6.098 -13.286 3.559 1.00 0.00 C ATOM 256 O PRO A 19 -6.496 -12.311 4.194 1.00 0.00 O ATOM 257 CB PRO A 19 -7.744 -13.979 1.778 1.00 0.00 C ATOM 258 CG PRO A 19 -7.515 -15.404 1.391 1.00 0.00 C ATOM 259 CD PRO A 19 -6.158 -15.454 0.771 1.00 0.00 C ATOM 0 HA PRO A 19 -6.225 -12.395 1.654 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.381 -13.909 2.660 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.244 -13.431 0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.570 -16.057 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.276 -15.744 0.689 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.676 -16.419 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.200 -15.294 -0.306 1.00 0.00 H new ATOM 267 N ASP A 20 -5.443 -14.304 4.119 1.00 0.00 N ATOM 268 CA ASP A 20 -5.141 -14.336 5.542 1.00 0.00 C ATOM 269 C ASP A 20 -3.852 -13.579 5.872 1.00 0.00 C ATOM 270 O ASP A 20 -3.626 -13.199 7.021 1.00 0.00 O ATOM 271 CB ASP A 20 -5.027 -15.783 6.026 1.00 0.00 C ATOM 272 CG ASP A 20 -6.381 -16.429 6.246 1.00 0.00 C ATOM 273 OD1 ASP A 20 -7.384 -15.901 5.720 1.00 0.00 O ATOM 274 OD2 ASP A 20 -6.439 -17.464 6.943 1.00 0.00 O ATOM 0 H ASP A 20 -5.112 -15.119 3.602 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.962 -13.839 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.465 -16.364 5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.460 -15.808 6.957 1.00 0.00 H new ATOM 279 N ALA A 21 -3.024 -13.298 4.871 1.00 0.00 N ATOM 280 CA ALA A 21 -1.804 -12.536 5.113 1.00 0.00 C ATOM 281 C ALA A 21 -1.940 -11.179 4.505 1.00 0.00 C ATOM 282 O ALA A 21 -2.212 -11.032 3.312 1.00 0.00 O ATOM 283 CB ALA A 21 -0.564 -13.230 4.569 1.00 0.00 C ATOM 0 H ALA A 21 -3.171 -13.580 3.902 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.674 -12.455 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.315 -12.620 4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.452 -14.203 5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.666 -13.366 3.492 1.00 0.00 H new ATOM 289 N ILE A 22 -1.769 -10.197 5.351 1.00 0.00 N ATOM 290 CA ILE A 22 -1.887 -8.833 4.935 1.00 0.00 C ATOM 291 C ILE A 22 -0.533 -8.268 4.542 1.00 0.00 C ATOM 292 O ILE A 22 0.391 -8.225 5.353 1.00 0.00 O ATOM 293 CB ILE A 22 -2.542 -7.965 6.034 1.00 0.00 C ATOM 294 CG1 ILE A 22 -1.557 -6.961 6.650 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.168 -8.828 7.122 1.00 0.00 C ATOM 296 CD1 ILE A 22 -2.181 -6.066 7.699 1.00 0.00 C ATOM 0 H ILE A 22 -1.546 -10.323 6.338 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.536 -8.810 4.059 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.331 -7.393 5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.727 -7.507 7.098 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.140 -6.341 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.620 -8.188 7.879 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.934 -9.467 6.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.399 -9.447 7.583 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.427 -5.383 8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.993 -5.492 7.252 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.573 -6.677 8.512 1.00 0.00 H new ATOM 308 N LEU A 23 -0.418 -7.829 3.296 1.00 0.00 N ATOM 309 CA LEU A 23 0.823 -7.259 2.812 1.00 0.00 C ATOM 310 C LEU A 23 1.300 -6.172 3.758 1.00 0.00 C ATOM 311 O LEU A 23 0.515 -5.355 4.224 1.00 0.00 O ATOM 312 CB LEU A 23 0.617 -6.678 1.420 1.00 0.00 C ATOM 313 CG LEU A 23 0.734 -7.689 0.283 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.642 -8.148 -0.163 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.513 -7.092 -0.873 1.00 0.00 C ATOM 0 H LEU A 23 -1.169 -7.858 2.607 1.00 0.00 H new ATOM 0 HA LEU A 23 1.578 -8.044 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.369 -6.215 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.348 -5.886 1.260 1.00 0.00 H new ATOM 0 HG LEU A 23 1.278 -8.562 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.540 -8.869 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.159 -8.616 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.217 -7.290 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.589 -7.824 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.998 -6.204 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.513 -6.819 -0.535 1.00 0.00 H new ATOM 327 N VAL A 24 2.587 -6.140 4.041 1.00 0.00 N ATOM 328 CA VAL A 24 3.107 -5.129 4.933 1.00 0.00 C ATOM 329 C VAL A 24 3.696 -3.968 4.176 1.00 0.00 C ATOM 330 O VAL A 24 4.323 -4.125 3.127 1.00 0.00 O ATOM 331 CB VAL A 24 4.145 -5.699 5.890 1.00 0.00 C ATOM 332 CG1 VAL A 24 4.579 -4.649 6.904 1.00 0.00 C ATOM 333 CG2 VAL A 24 3.572 -6.916 6.577 1.00 0.00 C ATOM 0 H VAL A 24 3.280 -6.791 3.672 1.00 0.00 H new ATOM 0 HA VAL A 24 2.260 -4.769 5.517 1.00 0.00 H new ATOM 0 HB VAL A 24 5.031 -5.994 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.321 -5.078 7.577 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.013 -3.796 6.382 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.714 -4.320 7.480 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.311 -7.328 7.264 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.678 -6.633 7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.312 -7.667 5.831 1.00 0.00 H new ATOM 343 N GLU A 25 3.451 -2.799 4.716 1.00 0.00 N ATOM 344 CA GLU A 25 3.897 -1.574 4.132 1.00 0.00 C ATOM 345 C GLU A 25 5.395 -1.562 3.979 1.00 0.00 C ATOM 346 O GLU A 25 6.137 -2.187 4.736 1.00 0.00 O ATOM 347 CB GLU A 25 3.434 -0.378 4.967 1.00 0.00 C ATOM 348 CG GLU A 25 2.101 0.196 4.516 1.00 0.00 C ATOM 349 CD GLU A 25 2.147 1.698 4.313 1.00 0.00 C ATOM 350 OE1 GLU A 25 3.243 2.227 4.031 1.00 0.00 O ATOM 351 OE2 GLU A 25 1.086 2.346 4.434 1.00 0.00 O ATOM 0 H GLU A 25 2.929 -2.678 5.584 1.00 0.00 H new ATOM 0 HA GLU A 25 3.455 -1.495 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.355 -0.682 6.011 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.192 0.404 4.919 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.801 -0.283 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.338 -0.043 5.257 1.00 0.00 H new ATOM 358 N ASP A 26 5.798 -0.844 2.969 1.00 0.00 N ATOM 359 CA ASP A 26 7.178 -0.679 2.590 1.00 0.00 C ATOM 360 C ASP A 26 8.086 -1.851 2.960 1.00 0.00 C ATOM 361 O ASP A 26 8.528 -1.976 4.102 1.00 0.00 O ATOM 362 CB ASP A 26 7.738 0.624 3.161 1.00 0.00 C ATOM 363 CG ASP A 26 8.976 1.093 2.422 1.00 0.00 C ATOM 364 OD1 ASP A 26 10.029 0.435 2.549 1.00 0.00 O ATOM 365 OD2 ASP A 26 8.890 2.121 1.716 1.00 0.00 O ATOM 0 H ASP A 26 5.153 -0.338 2.363 1.00 0.00 H new ATOM 0 HA ASP A 26 7.175 -0.643 1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.973 1.398 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.979 0.482 4.215 1.00 0.00 H new ATOM 370 N TYR A 27 8.409 -2.668 1.956 1.00 0.00 N ATOM 371 CA TYR A 27 9.325 -3.786 2.143 1.00 0.00 C ATOM 372 C TYR A 27 10.499 -3.628 1.195 1.00 0.00 C ATOM 373 O TYR A 27 10.334 -3.533 -0.022 1.00 0.00 O ATOM 374 CB TYR A 27 8.665 -5.139 1.917 1.00 0.00 C ATOM 375 CG TYR A 27 9.572 -6.297 2.283 1.00 0.00 C ATOM 376 CD1 TYR A 27 10.472 -6.817 1.360 1.00 0.00 C ATOM 377 CD2 TYR A 27 9.536 -6.862 3.553 1.00 0.00 C ATOM 378 CE1 TYR A 27 11.307 -7.867 1.691 1.00 0.00 C ATOM 379 CE2 TYR A 27 10.368 -7.914 3.890 1.00 0.00 C ATOM 380 CZ TYR A 27 11.251 -8.412 2.956 1.00 0.00 C ATOM 381 OH TYR A 27 12.082 -9.458 3.288 1.00 0.00 O ATOM 0 H TYR A 27 8.048 -2.574 1.007 1.00 0.00 H new ATOM 0 HA TYR A 27 9.657 -3.766 3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.751 -5.197 2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.374 -5.227 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.519 -6.393 0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.847 -6.473 4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.001 -8.259 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.326 -8.343 4.880 1.00 0.00 H new ATOM 0 HH TYR A 27 11.917 -9.724 4.217 1.00 0.00 H new ATOM 391 N ARG A 28 11.694 -3.558 1.786 1.00 0.00 N ATOM 392 CA ARG A 28 12.915 -3.363 1.024 1.00 0.00 C ATOM 393 C ARG A 28 12.870 -1.991 0.375 1.00 0.00 C ATOM 394 O ARG A 28 13.211 -1.829 -0.797 1.00 0.00 O ATOM 395 CB ARG A 28 13.078 -4.455 -0.034 1.00 0.00 C ATOM 396 CG ARG A 28 14.525 -4.708 -0.428 1.00 0.00 C ATOM 397 CD ARG A 28 15.004 -6.075 0.034 1.00 0.00 C ATOM 398 NE ARG A 28 16.412 -6.062 0.429 1.00 0.00 N ATOM 399 CZ ARG A 28 17.423 -6.007 -0.433 1.00 0.00 C ATOM 400 NH1 ARG A 28 17.191 -5.955 -1.740 1.00 0.00 N ATOM 401 NH2 ARG A 28 18.673 -6.006 0.011 1.00 0.00 N ATOM 0 H ARG A 28 11.835 -3.634 2.793 1.00 0.00 H new ATOM 0 HA ARG A 28 13.774 -3.425 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.645 -5.382 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.511 -4.176 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.625 -4.634 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.160 -3.935 0.004 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.395 -6.406 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.860 -6.799 -0.768 1.00 0.00 H new ATOM 0 HE ARG A 28 16.631 -6.097 1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.232 -5.957 -2.088 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.972 -5.913 -2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.858 -6.047 1.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.449 -5.964 -0.650 1.00 0.00 H new ATOM 415 N ALA A 29 12.406 -1.007 1.146 1.00 0.00 N ATOM 416 CA ALA A 29 12.267 0.350 0.649 1.00 0.00 C ATOM 417 C ALA A 29 11.264 0.359 -0.494 1.00 0.00 C ATOM 418 O ALA A 29 11.531 0.897 -1.569 1.00 0.00 O ATOM 419 CB ALA A 29 13.613 0.896 0.189 1.00 0.00 C ATOM 0 H ALA A 29 12.121 -1.131 2.118 1.00 0.00 H new ATOM 0 HA ALA A 29 11.906 0.994 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.486 1.914 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.310 0.898 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.007 0.267 -0.610 1.00 0.00 H new ATOM 425 N GLY A 30 10.116 -0.278 -0.263 1.00 0.00 N ATOM 426 CA GLY A 30 9.112 -0.367 -1.299 1.00 0.00 C ATOM 427 C GLY A 30 7.716 0.070 -0.877 1.00 0.00 C ATOM 428 O GLY A 30 7.532 0.785 0.106 1.00 0.00 O ATOM 0 H GLY A 30 9.870 -0.729 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.428 0.244 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.064 -1.398 -1.651 1.00 0.00 H new ATOM 432 N ASP A 31 6.741 -0.395 -1.653 1.00 0.00 N ATOM 433 CA ASP A 31 5.325 -0.109 -1.412 1.00 0.00 C ATOM 434 C ASP A 31 4.763 -1.118 -0.422 1.00 0.00 C ATOM 435 O ASP A 31 4.874 -0.927 0.780 1.00 0.00 O ATOM 436 CB ASP A 31 4.540 -0.070 -2.733 1.00 0.00 C ATOM 437 CG ASP A 31 5.007 -1.098 -3.748 1.00 0.00 C ATOM 438 OD1 ASP A 31 6.233 -1.222 -3.951 1.00 0.00 O ATOM 439 OD2 ASP A 31 4.144 -1.771 -4.349 1.00 0.00 O ATOM 0 H ASP A 31 6.908 -0.983 -2.470 1.00 0.00 H new ATOM 0 HA ASP A 31 5.222 0.881 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.483 -0.233 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.628 0.925 -3.169 1.00 0.00 H new ATOM 444 N MET A 32 4.183 -2.187 -0.912 1.00 0.00 N ATOM 445 CA MET A 32 3.641 -3.211 -0.044 1.00 0.00 C ATOM 446 C MET A 32 4.218 -4.556 -0.440 1.00 0.00 C ATOM 447 O MET A 32 4.613 -4.746 -1.578 1.00 0.00 O ATOM 448 CB MET A 32 2.124 -3.211 -0.122 1.00 0.00 C ATOM 449 CG MET A 32 1.483 -2.109 0.705 1.00 0.00 C ATOM 450 SD MET A 32 -0.095 -1.561 0.029 1.00 0.00 S ATOM 451 CE MET A 32 -0.956 -3.123 -0.133 1.00 0.00 C ATOM 0 H MET A 32 4.073 -2.373 -1.909 1.00 0.00 H new ATOM 0 HA MET A 32 3.917 -3.007 0.990 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.820 -3.099 -1.163 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.749 -4.176 0.218 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.333 -2.466 1.724 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.164 -1.260 0.762 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.866 -2.978 -0.715 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.312 -3.843 -0.639 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.215 -3.500 0.856 1.00 0.00 H new ATOM 461 N ILE A 33 4.321 -5.455 0.521 1.00 0.00 N ATOM 462 CA ILE A 33 4.907 -6.769 0.325 1.00 0.00 C ATOM 463 C ILE A 33 4.054 -7.807 1.033 1.00 0.00 C ATOM 464 O ILE A 33 3.640 -7.603 2.171 1.00 0.00 O ATOM 465 CB ILE A 33 6.330 -6.746 0.925 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.331 -7.493 0.049 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.340 -7.297 2.346 1.00 0.00 C ATOM 468 CD1 ILE A 33 7.145 -8.983 0.063 1.00 0.00 C ATOM 0 H ILE A 33 3.995 -5.291 1.474 1.00 0.00 H new ATOM 0 HA ILE A 33 4.954 -7.022 -0.734 1.00 0.00 H new ATOM 0 HB ILE A 33 6.642 -5.702 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.243 -7.134 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.341 -7.258 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.356 -7.267 2.741 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.688 -6.691 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.983 -8.327 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.891 -9.449 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.262 -9.355 1.081 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.147 -9.229 -0.301 1.00 0.00 H new ATOM 480 N CYS A 34 3.829 -8.931 0.388 1.00 0.00 N ATOM 481 CA CYS A 34 3.071 -9.997 0.991 1.00 0.00 C ATOM 482 C CYS A 34 4.045 -10.968 1.617 1.00 0.00 C ATOM 483 O CYS A 34 4.705 -11.709 0.907 1.00 0.00 O ATOM 484 CB CYS A 34 2.266 -10.665 -0.083 1.00 0.00 C ATOM 485 SG CYS A 34 0.868 -11.636 0.521 1.00 0.00 S ATOM 0 H CYS A 34 4.162 -9.127 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 34 2.394 -9.625 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.894 -9.903 -0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.923 -11.317 -0.659 1.00 0.00 H new ATOM 490 N PRO A 35 4.160 -10.971 2.953 1.00 0.00 N ATOM 491 CA PRO A 35 5.107 -11.835 3.650 1.00 0.00 C ATOM 492 C PRO A 35 5.009 -13.301 3.266 1.00 0.00 C ATOM 493 O PRO A 35 5.907 -14.075 3.582 1.00 0.00 O ATOM 494 CB PRO A 35 4.776 -11.644 5.138 1.00 0.00 C ATOM 495 CG PRO A 35 3.501 -10.873 5.186 1.00 0.00 C ATOM 496 CD PRO A 35 3.384 -10.138 3.881 1.00 0.00 C ATOM 0 HA PRO A 35 6.129 -11.561 3.388 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.668 -12.606 5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.575 -11.107 5.648 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.652 -11.541 5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.504 -10.175 6.023 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.345 -10.044 3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.789 -9.128 3.950 1.00 0.00 H new ATOM 504 N GLU A 36 3.961 -13.688 2.557 1.00 0.00 N ATOM 505 CA GLU A 36 3.838 -15.081 2.156 1.00 0.00 C ATOM 506 C GLU A 36 4.293 -15.308 0.730 1.00 0.00 C ATOM 507 O GLU A 36 5.199 -16.097 0.506 1.00 0.00 O ATOM 508 CB GLU A 36 2.443 -15.610 2.376 1.00 0.00 C ATOM 509 CG GLU A 36 2.082 -15.812 3.838 1.00 0.00 C ATOM 510 CD GLU A 36 3.101 -16.650 4.585 1.00 0.00 C ATOM 511 OE1 GLU A 36 3.530 -17.688 4.038 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.470 -16.268 5.715 1.00 0.00 O ATOM 0 H GLU A 36 3.202 -13.077 2.254 1.00 0.00 H new ATOM 0 HA GLU A 36 4.508 -15.648 2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.729 -14.919 1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.339 -16.560 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.992 -14.840 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.106 -16.292 3.903 1.00 0.00 H new ATOM 519 N CYS A 37 3.785 -14.556 -0.236 1.00 0.00 N ATOM 520 CA CYS A 37 4.309 -14.716 -1.585 1.00 0.00 C ATOM 521 C CYS A 37 5.347 -13.648 -1.768 1.00 0.00 C ATOM 522 O CYS A 37 6.260 -13.785 -2.554 1.00 0.00 O ATOM 523 CB CYS A 37 3.254 -14.692 -2.700 1.00 0.00 C ATOM 524 SG CYS A 37 2.066 -13.335 -2.630 1.00 0.00 S ATOM 0 H CYS A 37 3.047 -13.861 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 37 4.733 -15.716 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.769 -14.650 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.704 -15.633 -2.674 1.00 0.00 H new ATOM 529 N GLY A 38 5.183 -12.590 -0.989 1.00 0.00 N ATOM 530 CA GLY A 38 6.096 -11.477 -0.986 1.00 0.00 C ATOM 531 C GLY A 38 5.922 -10.546 -2.169 1.00 0.00 C ATOM 532 O GLY A 38 6.875 -9.929 -2.644 1.00 0.00 O ATOM 0 H GLY A 38 4.404 -12.487 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.961 -10.910 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.118 -11.856 -0.980 1.00 0.00 H new ATOM 536 N LEU A 39 4.691 -10.481 -2.647 1.00 0.00 N ATOM 537 CA LEU A 39 4.359 -9.649 -3.792 1.00 0.00 C ATOM 538 C LEU A 39 4.721 -8.206 -3.501 1.00 0.00 C ATOM 539 O LEU A 39 5.580 -7.951 -2.647 1.00 0.00 O ATOM 540 CB LEU A 39 2.895 -9.800 -4.217 1.00 0.00 C ATOM 541 CG LEU A 39 1.857 -9.157 -3.301 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.193 -7.964 -3.975 1.00 0.00 C ATOM 543 CD2 LEU A 39 0.823 -10.183 -2.921 1.00 0.00 C ATOM 0 H LEU A 39 3.902 -10.997 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 39 4.950 -9.989 -4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.782 -9.375 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.669 -10.863 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 39 2.360 -8.795 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.459 -7.526 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.949 -7.218 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.696 -8.292 -4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.080 -9.726 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.333 -10.557 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.305 -11.010 -2.400 1.00 0.00 H new ATOM 555 N VAL A 40 4.013 -7.265 -4.119 1.00 0.00 N ATOM 556 CA VAL A 40 4.246 -5.852 -3.877 1.00 0.00 C ATOM 557 C VAL A 40 3.072 -5.018 -4.393 1.00 0.00 C ATOM 558 O VAL A 40 2.556 -5.272 -5.481 1.00 0.00 O ATOM 559 CB VAL A 40 5.554 -5.371 -4.547 1.00 0.00 C ATOM 560 CG1 VAL A 40 5.788 -3.895 -4.276 1.00 0.00 C ATOM 561 CG2 VAL A 40 6.744 -6.196 -4.073 1.00 0.00 C ATOM 0 H VAL A 40 3.272 -7.460 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 40 4.340 -5.718 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 40 5.450 -5.510 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.714 -3.579 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.956 -3.315 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.863 -3.730 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.652 -5.838 -4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.848 -6.097 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.585 -7.244 -4.328 1.00 0.00 H new ATOM 571 N VAL A 41 2.646 -4.029 -3.608 1.00 0.00 N ATOM 572 CA VAL A 41 1.522 -3.178 -4.004 1.00 0.00 C ATOM 573 C VAL A 41 1.644 -1.770 -3.428 1.00 0.00 C ATOM 574 O VAL A 41 2.301 -1.555 -2.419 1.00 0.00 O ATOM 575 CB VAL A 41 0.165 -3.761 -3.558 1.00 0.00 C ATOM 576 CG1 VAL A 41 -0.905 -3.472 -4.594 1.00 0.00 C ATOM 577 CG2 VAL A 41 0.254 -5.245 -3.314 1.00 0.00 C ATOM 0 H VAL A 41 3.056 -3.798 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 41 1.559 -3.136 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.106 -3.278 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.855 -3.891 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.008 -2.394 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.622 -3.923 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.720 -5.621 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.559 -5.747 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.987 -5.442 -2.532 1.00 0.00 H new ATOM 587 N GLY A 42 0.979 -0.822 -4.073 1.00 0.00 N ATOM 588 CA GLY A 42 1.005 0.549 -3.611 1.00 0.00 C ATOM 589 C GLY A 42 1.683 1.469 -4.590 1.00 0.00 C ATOM 590 O GLY A 42 2.507 1.042 -5.399 1.00 0.00 O ATOM 0 H GLY A 42 0.420 -0.980 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.015 0.892 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.522 0.597 -2.653 1.00 0.00 H new ATOM 594 N ASP A 43 1.333 2.738 -4.511 1.00 0.00 N ATOM 595 CA ASP A 43 1.900 3.746 -5.383 1.00 0.00 C ATOM 596 C ASP A 43 1.304 5.106 -5.064 1.00 0.00 C ATOM 597 O ASP A 43 2.021 6.044 -4.718 1.00 0.00 O ATOM 598 CB ASP A 43 1.644 3.392 -6.851 1.00 0.00 C ATOM 599 CG ASP A 43 2.849 3.667 -7.729 1.00 0.00 C ATOM 600 OD1 ASP A 43 3.982 3.369 -7.294 1.00 0.00 O ATOM 601 OD2 ASP A 43 2.660 4.179 -8.853 1.00 0.00 O ATOM 0 H ASP A 43 0.651 3.097 -3.843 1.00 0.00 H new ATOM 0 HA ASP A 43 2.977 3.782 -5.217 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.375 2.338 -6.927 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.792 3.965 -7.217 1.00 0.00 H new ATOM 606 N ARG A 44 -0.016 5.209 -5.184 1.00 0.00 N ATOM 607 CA ARG A 44 -0.715 6.459 -4.910 1.00 0.00 C ATOM 608 C ARG A 44 -1.584 6.336 -3.663 1.00 0.00 C ATOM 609 O ARG A 44 -1.653 5.274 -3.044 1.00 0.00 O ATOM 610 CB ARG A 44 -1.581 6.855 -6.109 1.00 0.00 C ATOM 611 CG ARG A 44 -2.396 5.706 -6.681 1.00 0.00 C ATOM 612 CD ARG A 44 -3.769 6.170 -7.141 1.00 0.00 C ATOM 613 NE ARG A 44 -4.810 5.185 -6.848 1.00 0.00 N ATOM 614 CZ ARG A 44 -5.265 4.292 -7.726 1.00 0.00 C ATOM 615 NH1 ARG A 44 -4.766 4.238 -8.956 1.00 0.00 N ATOM 616 NH2 ARG A 44 -6.220 3.443 -7.370 1.00 0.00 N ATOM 0 H ARG A 44 -0.623 4.441 -5.469 1.00 0.00 H new ATOM 0 HA ARG A 44 0.032 7.233 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.258 7.655 -5.808 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.939 7.258 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.861 5.262 -7.520 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.508 4.927 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.015 7.113 -6.652 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.745 6.363 -8.213 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.214 5.182 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.028 4.884 -9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.121 3.551 -9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.605 3.475 -6.426 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.570 2.759 -8.040 1.00 0.00 H new ATOM 630 N VAL A 45 -2.248 7.429 -3.300 1.00 0.00 N ATOM 631 CA VAL A 45 -3.114 7.446 -2.129 1.00 0.00 C ATOM 632 C VAL A 45 -4.291 8.398 -2.339 1.00 0.00 C ATOM 633 O VAL A 45 -4.262 9.247 -3.228 1.00 0.00 O ATOM 634 CB VAL A 45 -2.323 7.839 -0.853 1.00 0.00 C ATOM 635 CG1 VAL A 45 -2.736 9.209 -0.326 1.00 0.00 C ATOM 636 CG2 VAL A 45 -2.491 6.777 0.224 1.00 0.00 C ATOM 0 H VAL A 45 -2.202 8.316 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.504 6.438 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.270 7.901 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.158 9.445 0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.548 9.964 -1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.798 9.199 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.930 7.068 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.547 6.679 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.117 5.822 -0.145 1.00 0.00 H new ATOM 646 N ILE A 46 -5.325 8.247 -1.518 1.00 0.00 N ATOM 647 CA ILE A 46 -6.509 9.093 -1.619 1.00 0.00 C ATOM 648 C ILE A 46 -6.247 10.479 -1.032 1.00 0.00 C ATOM 649 O ILE A 46 -5.758 10.606 0.090 1.00 0.00 O ATOM 650 CB ILE A 46 -7.718 8.457 -0.903 1.00 0.00 C ATOM 651 CG1 ILE A 46 -8.978 9.290 -1.140 1.00 0.00 C ATOM 652 CG2 ILE A 46 -7.442 8.314 0.588 1.00 0.00 C ATOM 653 CD1 ILE A 46 -10.236 8.655 -0.590 1.00 0.00 C ATOM 0 H ILE A 46 -5.367 7.548 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.739 9.191 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.880 7.462 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -8.846 10.271 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.101 9.451 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.306 7.864 1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.569 7.679 0.737 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.253 9.297 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.089 9.302 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.392 7.687 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.134 8.519 0.487 1.00 0.00 H new ATOM 665 N ASP A 47 -6.578 11.514 -1.800 1.00 0.00 N ATOM 666 CA ASP A 47 -6.378 12.888 -1.355 1.00 0.00 C ATOM 667 C ASP A 47 -7.418 13.820 -1.970 1.00 0.00 C ATOM 668 O ASP A 47 -8.279 14.354 -1.270 1.00 0.00 O ATOM 669 CB ASP A 47 -4.970 13.364 -1.717 1.00 0.00 C ATOM 670 CG ASP A 47 -3.902 12.362 -1.331 1.00 0.00 C ATOM 671 OD1 ASP A 47 -3.713 12.135 -0.117 1.00 0.00 O ATOM 672 OD2 ASP A 47 -3.254 11.803 -2.240 1.00 0.00 O ATOM 0 H ASP A 47 -6.985 11.426 -2.731 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.495 12.911 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.918 13.551 -2.790 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.771 14.313 -1.218 1.00 0.00 H new ATOM 677 N VAL A 48 -7.329 14.015 -3.282 1.00 0.00 N ATOM 678 CA VAL A 48 -8.261 14.886 -3.990 1.00 0.00 C ATOM 679 C VAL A 48 -8.149 16.325 -3.496 1.00 0.00 C ATOM 680 O VAL A 48 -8.394 16.608 -2.323 1.00 0.00 O ATOM 681 CB VAL A 48 -9.717 14.410 -3.823 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.648 15.214 -4.717 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.829 12.922 -4.124 1.00 0.00 C ATOM 0 H VAL A 48 -6.622 13.582 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.993 14.843 -5.046 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.017 14.572 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.672 14.863 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.588 16.269 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.352 15.087 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.864 12.603 -4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.510 12.733 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.193 12.363 -3.438 1.00 0.00 H new ATOM 693 N GLY A 49 -7.776 17.228 -4.397 1.00 0.00 N ATOM 694 CA GLY A 49 -7.637 18.627 -4.031 1.00 0.00 C ATOM 695 C GLY A 49 -8.880 19.437 -4.341 1.00 0.00 C ATOM 696 O GLY A 49 -8.791 20.532 -4.897 1.00 0.00 O ATOM 0 H GLY A 49 -7.568 17.017 -5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.417 18.700 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.787 19.055 -4.562 1.00 0.00 H new ATOM 700 N SER A 50 -10.041 18.901 -3.979 1.00 0.00 N ATOM 701 CA SER A 50 -11.306 19.584 -4.221 1.00 0.00 C ATOM 702 C SER A 50 -12.218 19.507 -2.998 1.00 0.00 C ATOM 703 O SER A 50 -13.423 19.739 -3.099 1.00 0.00 O ATOM 704 CB SER A 50 -12.012 18.979 -5.436 1.00 0.00 C ATOM 705 OG SER A 50 -12.906 19.907 -6.024 1.00 0.00 O ATOM 0 H SER A 50 -10.132 17.996 -3.517 1.00 0.00 H new ATOM 0 HA SER A 50 -11.087 20.633 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.271 18.667 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.558 18.085 -5.135 1.00 0.00 H new ATOM 0 HG SER A 50 -13.492 20.280 -5.333 1.00 0.00 H new ATOM 711 N GLU A 51 -11.641 19.174 -1.846 1.00 0.00 N ATOM 712 CA GLU A 51 -12.412 19.065 -0.612 1.00 0.00 C ATOM 713 C GLU A 51 -11.754 19.827 0.541 1.00 0.00 C ATOM 714 O GLU A 51 -12.363 20.004 1.595 1.00 0.00 O ATOM 715 CB GLU A 51 -12.585 17.593 -0.228 1.00 0.00 C ATOM 716 CG GLU A 51 -13.932 17.015 -0.627 1.00 0.00 C ATOM 717 CD GLU A 51 -14.948 17.074 0.496 1.00 0.00 C ATOM 718 OE1 GLU A 51 -14.537 16.983 1.672 1.00 0.00 O ATOM 719 OE2 GLU A 51 -16.153 17.212 0.201 1.00 0.00 O ATOM 0 H GLU A 51 -10.646 18.976 -1.742 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.388 19.514 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.794 17.008 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.460 17.490 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.316 17.561 -1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.800 15.979 -0.939 1.00 0.00 H new ATOM 726 N TRP A 52 -10.511 20.270 0.342 1.00 0.00 N ATOM 727 CA TRP A 52 -9.778 21.008 1.371 1.00 0.00 C ATOM 728 C TRP A 52 -9.398 20.100 2.541 1.00 0.00 C ATOM 729 O TRP A 52 -8.219 19.963 2.870 1.00 0.00 O ATOM 730 CB TRP A 52 -10.595 22.201 1.876 1.00 0.00 C ATOM 731 CG TRP A 52 -10.871 23.222 0.815 1.00 0.00 C ATOM 732 CD1 TRP A 52 -9.949 23.889 0.063 1.00 0.00 C ATOM 733 CD2 TRP A 52 -12.155 23.693 0.388 1.00 0.00 C ATOM 734 NE1 TRP A 52 -10.580 24.747 -0.805 1.00 0.00 N ATOM 735 CE2 TRP A 52 -11.934 24.644 -0.626 1.00 0.00 C ATOM 736 CE3 TRP A 52 -13.469 23.401 0.765 1.00 0.00 C ATOM 737 CZ2 TRP A 52 -12.979 25.305 -1.267 1.00 0.00 C ATOM 738 CZ3 TRP A 52 -14.505 24.057 0.127 1.00 0.00 C ATOM 739 CH2 TRP A 52 -14.256 24.999 -0.878 1.00 0.00 C ATOM 0 H TRP A 52 -9.991 20.130 -0.524 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.861 21.381 0.914 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -11.542 21.840 2.278 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.060 22.677 2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -8.879 23.761 0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -10.116 25.361 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -13.671 22.677 1.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -12.789 26.032 -2.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -15.525 23.839 0.409 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -15.088 25.495 -1.356 1.00 0.00 H new ATOM 750 N ARG A 53 -10.400 19.483 3.166 1.00 0.00 N ATOM 751 CA ARG A 53 -10.173 18.588 4.300 1.00 0.00 C ATOM 752 C ARG A 53 -9.929 19.380 5.580 1.00 0.00 C ATOM 753 O ARG A 53 -8.794 19.738 5.894 1.00 0.00 O ATOM 754 CB ARG A 53 -8.991 17.653 4.030 1.00 0.00 C ATOM 755 CG ARG A 53 -9.003 16.392 4.881 1.00 0.00 C ATOM 756 CD ARG A 53 -7.886 16.404 5.913 1.00 0.00 C ATOM 757 NE ARG A 53 -7.345 15.067 6.150 1.00 0.00 N ATOM 758 CZ ARG A 53 -6.621 14.738 7.217 1.00 0.00 C ATOM 759 NH1 ARG A 53 -6.348 15.643 8.147 1.00 0.00 N ATOM 760 NH2 ARG A 53 -6.169 13.499 7.354 1.00 0.00 N ATOM 0 H ARG A 53 -11.380 19.587 2.905 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.072 17.985 4.430 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.996 17.370 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.062 18.194 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.965 16.302 5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.897 15.518 4.239 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.087 17.064 5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.263 16.814 6.850 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.534 14.343 5.456 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.693 16.597 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.793 15.385 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.376 12.799 6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.614 13.246 8.172 1.00 0.00 H new ATOM 774 N THR A 54 -11.003 19.652 6.313 1.00 0.00 N ATOM 775 CA THR A 54 -10.911 20.401 7.560 1.00 0.00 C ATOM 776 C THR A 54 -11.990 19.953 8.541 1.00 0.00 C ATOM 777 O THR A 54 -13.169 19.885 8.195 1.00 0.00 O ATOM 778 CB THR A 54 -11.042 21.901 7.289 1.00 0.00 C ATOM 779 OG1 THR A 54 -11.810 22.134 6.122 1.00 0.00 O ATOM 780 CG2 THR A 54 -9.710 22.594 7.109 1.00 0.00 C ATOM 0 H THR A 54 -11.949 19.364 6.064 1.00 0.00 H new ATOM 0 HA THR A 54 -9.935 20.204 8.004 1.00 0.00 H new ATOM 0 HB THR A 54 -11.531 22.313 8.172 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.884 23.099 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.874 23.655 6.920 1.00 0.00 H new ATOM 0 HG22 THR A 54 -9.113 22.475 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 54 -9.182 22.153 6.264 1.00 0.00 H new ATOM 788 N PHE A 55 -11.577 19.647 9.768 1.00 0.00 N ATOM 789 CA PHE A 55 -12.509 19.206 10.799 1.00 0.00 C ATOM 790 C PHE A 55 -12.929 20.372 11.688 1.00 0.00 C ATOM 791 O PHE A 55 -12.086 21.064 12.259 1.00 0.00 O ATOM 792 CB PHE A 55 -11.879 18.101 11.649 1.00 0.00 C ATOM 793 CG PHE A 55 -10.479 18.413 12.098 1.00 0.00 C ATOM 794 CD1 PHE A 55 -10.253 19.092 13.283 1.00 0.00 C ATOM 795 CD2 PHE A 55 -9.390 18.027 11.333 1.00 0.00 C ATOM 796 CE1 PHE A 55 -8.966 19.381 13.699 1.00 0.00 C ATOM 797 CE2 PHE A 55 -8.101 18.312 11.742 1.00 0.00 C ATOM 798 CZ PHE A 55 -7.890 18.990 12.927 1.00 0.00 C ATOM 0 H PHE A 55 -10.604 19.697 10.071 1.00 0.00 H new ATOM 0 HA PHE A 55 -13.397 18.811 10.305 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -12.503 17.928 12.526 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -11.870 17.174 11.076 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.092 19.400 13.890 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.550 17.497 10.406 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.803 19.911 14.626 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.261 18.005 11.137 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.884 19.214 13.249 1.00 0.00 H new ATOM 808 N SER A 56 -14.235 20.584 11.800 1.00 0.00 N ATOM 809 CA SER A 56 -14.767 21.667 12.619 1.00 0.00 C ATOM 810 C SER A 56 -14.293 23.021 12.101 1.00 0.00 C ATOM 811 O SER A 56 -13.241 23.518 12.507 1.00 0.00 O ATOM 812 CB SER A 56 -14.344 21.488 14.079 1.00 0.00 C ATOM 813 OG SER A 56 -14.735 20.218 14.571 1.00 0.00 O ATOM 0 H SER A 56 -14.946 20.020 11.334 1.00 0.00 H new ATOM 0 HA SER A 56 -15.855 21.635 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.263 21.597 14.164 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.792 22.272 14.690 1.00 0.00 H new ATOM 0 HG SER A 56 -14.452 20.128 15.505 1.00 0.00 H new ATOM 819 N ASN A 57 -15.073 23.614 11.205 1.00 0.00 N ATOM 820 CA ASN A 57 -14.733 24.910 10.630 1.00 0.00 C ATOM 821 C ASN A 57 -14.615 25.973 11.719 1.00 0.00 C ATOM 822 O ASN A 57 -15.263 25.883 12.761 1.00 0.00 O ATOM 823 CB ASN A 57 -15.787 25.327 9.602 1.00 0.00 C ATOM 824 CG ASN A 57 -15.176 25.673 8.258 1.00 0.00 C ATOM 825 OD1 ASN A 57 -14.354 24.929 7.726 1.00 0.00 O ATOM 826 ND2 ASN A 57 -15.578 26.810 7.700 1.00 0.00 N ATOM 0 H ASN A 57 -15.947 23.217 10.860 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.768 24.819 10.132 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -16.506 24.518 9.474 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.339 26.188 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -15.202 27.095 6.796 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -16.262 27.398 8.176 1.00 0.00 H new ATOM 833 N ASP A 58 -13.781 26.977 11.469 1.00 0.00 N ATOM 834 CA ASP A 58 -13.576 28.057 12.427 1.00 0.00 C ATOM 835 C ASP A 58 -14.420 29.275 12.062 1.00 0.00 C ATOM 836 O ASP A 58 -14.906 29.992 12.937 1.00 0.00 O ATOM 837 CB ASP A 58 -12.098 28.446 12.483 1.00 0.00 C ATOM 838 CG ASP A 58 -11.666 28.880 13.869 1.00 0.00 C ATOM 839 OD1 ASP A 58 -11.269 28.007 14.668 1.00 0.00 O ATOM 840 OD2 ASP A 58 -11.725 30.094 14.156 1.00 0.00 O ATOM 0 H ASP A 58 -13.236 27.065 10.611 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.888 27.701 13.409 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.490 27.599 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.911 29.255 11.777 1.00 0.00 H new ATOM 845 N LYS A 59 -14.590 29.504 10.764 1.00 0.00 N ATOM 846 CA LYS A 59 -15.374 30.635 10.282 1.00 0.00 C ATOM 847 C LYS A 59 -16.745 30.179 9.797 1.00 0.00 C ATOM 848 O LYS A 59 -17.015 28.981 9.703 1.00 0.00 O ATOM 849 CB LYS A 59 -14.632 31.353 9.152 1.00 0.00 C ATOM 850 CG LYS A 59 -13.730 32.479 9.636 1.00 0.00 C ATOM 851 CD LYS A 59 -12.369 32.435 8.958 1.00 0.00 C ATOM 852 CE LYS A 59 -11.586 31.194 9.354 1.00 0.00 C ATOM 853 NZ LYS A 59 -11.414 30.256 8.211 1.00 0.00 N ATOM 0 H LYS A 59 -14.195 28.921 10.026 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.514 31.328 11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.031 30.627 8.604 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.361 31.758 8.450 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.206 33.439 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.602 32.405 10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.500 32.453 7.876 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.800 33.325 9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.607 31.488 9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.102 30.684 10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.524 29.730 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.210 29.587 8.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.388 30.794 7.321 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 0.893 -13.615 -0.680 1.00 0.00 ZN