USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 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+ 146:sc= 0.0163 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00959 USER MOD Single : A 2 HIS : no HD1:sc= -0.755 K(o=-0.76,f=-6.1!) USER MOD Single : A 3 MET CE :methyl -113:sc= -0.0216 (180deg=-0.403) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.49) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 25 SER OG : rot -1:sc= 0.55 USER MOD Single : A 27 ASN : amide:sc= -0.0397 K(o=-0.04,f=-2!) USER MOD Single : A 28 GLN : amide:sc= -0.821 K(o=-0.82,f=-1.3!) USER MOD Single : A 32 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.1) USER MOD Single : A 38 SER OG : rot 96:sc= 1.07 USER MOD Single : A 41 MET CE :methyl 152:sc= -0.46 (180deg=-1.42) USER MOD Single : A 44 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.016) USER MOD Single : A 47 TYR OH : rot 35:sc= 0.166 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+ 175:sc=-0.000596 (180deg=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 7.120 6.667 -2.304 1.00 0.00 N ATOM 2 CA SER A 1 6.863 5.318 -1.759 1.00 0.00 C ATOM 3 C SER A 1 5.437 4.871 -2.104 1.00 0.00 C ATOM 4 O SER A 1 4.469 5.563 -1.764 1.00 0.00 O ATOM 5 CB SER A 1 7.078 5.322 -0.234 1.00 0.00 C ATOM 6 OG SER A 1 8.375 5.791 0.088 1.00 0.00 O ATOM 0 H1 SER A 1 7.751 7.187 -1.661 1.00 0.00 H new ATOM 0 H2 SER A 1 7.570 6.584 -3.238 1.00 0.00 H new ATOM 0 H3 SER A 1 6.221 7.181 -2.397 1.00 0.00 H new ATOM 0 HA SER A 1 7.561 4.611 -2.208 1.00 0.00 H new ATOM 0 HB2 SER A 1 6.329 5.954 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 1 6.942 4.315 0.160 1.00 0.00 H new ATOM 0 HG SER A 1 8.492 5.788 1.061 1.00 0.00 H new ATOM 14 N HIS A 2 5.328 3.720 -2.791 1.00 0.00 N ATOM 15 CA HIS A 2 4.044 3.113 -3.190 1.00 0.00 C ATOM 16 C HIS A 2 4.263 1.632 -3.581 1.00 0.00 C ATOM 17 O HIS A 2 3.589 1.101 -4.480 1.00 0.00 O ATOM 18 CB HIS A 2 3.395 3.929 -4.344 1.00 0.00 C ATOM 19 CG HIS A 2 4.297 4.193 -5.529 1.00 0.00 C ATOM 20 ND1 HIS A 2 4.778 5.435 -5.849 1.00 0.00 N ATOM 21 CD2 HIS A 2 4.783 3.351 -6.475 1.00 0.00 C ATOM 22 CE1 HIS A 2 5.524 5.317 -6.943 1.00 0.00 C ATOM 23 NE2 HIS A 2 5.555 4.072 -7.364 1.00 0.00 N ATOM 0 H HIS A 2 6.139 3.178 -3.089 1.00 0.00 H new ATOM 0 HA HIS A 2 3.353 3.137 -2.348 1.00 0.00 H new ATOM 0 HB2 HIS A 2 2.510 3.396 -4.692 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.055 4.885 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 2 4.596 2.288 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 2 6.038 6.137 -7.423 1.00 0.00 H new ATOM 0 HE2 HIS A 2 6.049 3.712 -8.181 1.00 0.00 H new ATOM 31 N MET A 3 5.203 0.979 -2.850 1.00 0.00 N ATOM 32 CA MET A 3 5.632 -0.430 -3.072 1.00 0.00 C ATOM 33 C MET A 3 6.373 -0.613 -4.430 1.00 0.00 C ATOM 34 O MET A 3 6.401 0.310 -5.267 1.00 0.00 O ATOM 35 CB MET A 3 4.445 -1.448 -2.928 1.00 0.00 C ATOM 36 CG MET A 3 3.803 -1.530 -1.524 1.00 0.00 C ATOM 37 SD MET A 3 2.844 -0.064 -1.073 1.00 0.00 S ATOM 38 CE MET A 3 1.466 -0.137 -2.230 1.00 0.00 C ATOM 0 H MET A 3 5.694 1.424 -2.075 1.00 0.00 H new ATOM 0 HA MET A 3 6.346 -0.656 -2.280 1.00 0.00 H new ATOM 0 HB2 MET A 3 3.671 -1.180 -3.647 1.00 0.00 H new ATOM 0 HB3 MET A 3 4.805 -2.440 -3.202 1.00 0.00 H new ATOM 0 HG2 MET A 3 3.154 -2.404 -1.482 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.589 -1.681 -0.784 1.00 0.00 H new ATOM 0 HE1 MET A 3 1.531 0.699 -2.926 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.506 -1.075 -2.784 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.526 -0.080 -1.681 1.00 0.00 H new ATOM 48 N CYS A 4 6.999 -1.811 -4.610 1.00 0.00 N ATOM 49 CA CYS A 4 7.675 -2.210 -5.869 1.00 0.00 C ATOM 50 C CYS A 4 8.897 -1.290 -6.169 1.00 0.00 C ATOM 51 O CYS A 4 8.785 -0.328 -6.945 1.00 0.00 O ATOM 52 CB CYS A 4 6.634 -2.271 -7.024 1.00 0.00 C ATOM 53 SG CYS A 4 7.307 -2.226 -8.703 1.00 0.00 S ATOM 0 H CYS A 4 7.046 -2.524 -3.882 1.00 0.00 H new ATOM 0 HA CYS A 4 8.091 -3.212 -5.764 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.050 -3.185 -6.912 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.943 -1.436 -6.908 1.00 0.00 H new ATOM 58 N PRO A 5 10.086 -1.564 -5.513 1.00 0.00 N ATOM 59 CA PRO A 5 11.257 -0.652 -5.537 1.00 0.00 C ATOM 60 C PRO A 5 12.010 -0.638 -6.892 1.00 0.00 C ATOM 61 O PRO A 5 12.660 -1.623 -7.267 1.00 0.00 O ATOM 62 CB PRO A 5 12.173 -1.180 -4.375 1.00 0.00 C ATOM 63 CG PRO A 5 11.374 -2.251 -3.679 1.00 0.00 C ATOM 64 CD PRO A 5 10.399 -2.777 -4.709 1.00 0.00 C ATOM 0 HA PRO A 5 10.949 0.385 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.108 -1.581 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.434 -0.376 -3.686 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.023 -3.047 -3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.848 -1.846 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.841 -3.565 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.506 -3.196 -4.245 1.00 0.00 H new ATOM 72 N ALA A 6 11.872 0.470 -7.632 1.00 0.00 N ATOM 73 CA ALA A 6 12.686 0.776 -8.829 1.00 0.00 C ATOM 74 C ALA A 6 13.410 2.125 -8.636 1.00 0.00 C ATOM 75 O ALA A 6 13.395 2.686 -7.534 1.00 0.00 O ATOM 76 CB ALA A 6 11.794 0.789 -10.080 1.00 0.00 C ATOM 0 H ALA A 6 11.184 1.192 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 6 13.442 0.003 -8.966 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.401 1.015 -10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.327 -0.188 -10.204 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.021 1.549 -9.968 1.00 0.00 H new ATOM 82 N VAL A 7 14.040 2.629 -9.721 1.00 0.00 N ATOM 83 CA VAL A 7 14.797 3.906 -9.727 1.00 0.00 C ATOM 84 C VAL A 7 13.936 5.098 -9.229 1.00 0.00 C ATOM 85 O VAL A 7 14.445 6.049 -8.621 1.00 0.00 O ATOM 86 CB VAL A 7 15.377 4.208 -11.170 1.00 0.00 C ATOM 87 CG1 VAL A 7 16.301 3.056 -11.657 1.00 0.00 C ATOM 88 CG2 VAL A 7 14.252 4.502 -12.209 1.00 0.00 C ATOM 0 H VAL A 7 14.039 2.158 -10.626 1.00 0.00 H new ATOM 0 HA VAL A 7 15.627 3.789 -9.030 1.00 0.00 H new ATOM 0 HB VAL A 7 15.978 5.113 -11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.684 3.292 -12.650 1.00 0.00 H new ATOM 0 HG12 VAL A 7 17.135 2.941 -10.964 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.733 2.127 -11.698 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.699 4.703 -13.182 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.592 3.638 -12.284 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.678 5.371 -11.887 1.00 0.00 H new ATOM 98 N SER A 8 12.632 5.000 -9.501 1.00 0.00 N ATOM 99 CA SER A 8 11.603 5.971 -9.089 1.00 0.00 C ATOM 100 C SER A 8 10.275 5.224 -8.828 1.00 0.00 C ATOM 101 O SER A 8 9.514 5.583 -7.916 1.00 0.00 O ATOM 102 CB SER A 8 11.414 7.033 -10.202 1.00 0.00 C ATOM 103 OG SER A 8 12.632 7.706 -10.484 1.00 0.00 O ATOM 0 H SER A 8 12.246 4.219 -10.031 1.00 0.00 H new ATOM 0 HA SER A 8 11.915 6.475 -8.174 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.043 6.552 -11.107 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.659 7.756 -9.893 1.00 0.00 H new ATOM 0 HG SER A 8 12.484 8.369 -11.191 1.00 0.00 H new ATOM 109 N CYS A 9 10.038 4.175 -9.660 1.00 0.00 N ATOM 110 CA CYS A 9 8.805 3.375 -9.686 1.00 0.00 C ATOM 111 C CYS A 9 7.655 4.223 -10.255 1.00 0.00 C ATOM 112 O CYS A 9 7.088 5.064 -9.560 1.00 0.00 O ATOM 113 CB CYS A 9 8.443 2.747 -8.303 1.00 0.00 C ATOM 114 SG CYS A 9 6.978 1.655 -8.343 1.00 0.00 S ATOM 0 H CYS A 9 10.725 3.862 -10.346 1.00 0.00 H new ATOM 0 HA CYS A 9 8.978 2.522 -10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.298 2.177 -7.939 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.266 3.549 -7.586 1.00 0.00 H new ATOM 119 N LEU A 10 7.379 4.066 -11.563 1.00 0.00 N ATOM 120 CA LEU A 10 6.238 4.730 -12.209 1.00 0.00 C ATOM 121 C LEU A 10 4.953 3.946 -11.918 1.00 0.00 C ATOM 122 O LEU A 10 4.727 2.889 -12.509 1.00 0.00 O ATOM 123 CB LEU A 10 6.471 4.880 -13.739 1.00 0.00 C ATOM 124 CG LEU A 10 7.595 5.875 -14.160 1.00 0.00 C ATOM 125 CD1 LEU A 10 7.736 5.936 -15.697 1.00 0.00 C ATOM 126 CD2 LEU A 10 7.356 7.281 -13.548 1.00 0.00 C ATOM 0 H LEU A 10 7.933 3.484 -12.191 1.00 0.00 H new ATOM 0 HA LEU A 10 6.136 5.734 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.708 3.898 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.537 5.201 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 10 8.540 5.505 -13.761 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.527 6.638 -15.962 1.00 0.00 H new ATOM 0 HD12 LEU A 10 7.986 4.946 -16.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.795 6.267 -16.136 1.00 0.00 H new ATOM 0 HD21 LEU A 10 8.155 7.954 -13.859 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.399 7.671 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.346 7.208 -12.461 1.00 0.00 H new ATOM 138 N GLN A 11 4.172 4.444 -10.945 1.00 0.00 N ATOM 139 CA GLN A 11 2.826 3.960 -10.637 1.00 0.00 C ATOM 140 C GLN A 11 1.823 4.692 -11.561 1.00 0.00 C ATOM 141 O GLN A 11 1.570 5.892 -11.372 1.00 0.00 O ATOM 142 CB GLN A 11 2.487 4.220 -9.140 1.00 0.00 C ATOM 143 CG GLN A 11 1.048 3.856 -8.727 1.00 0.00 C ATOM 144 CD GLN A 11 0.744 4.156 -7.256 1.00 0.00 C ATOM 145 OE1 GLN A 11 0.336 5.259 -6.908 1.00 0.00 O ATOM 146 NE2 GLN A 11 0.923 3.172 -6.387 1.00 0.00 N ATOM 0 H GLN A 11 4.470 5.210 -10.341 1.00 0.00 H new ATOM 0 HA GLN A 11 2.766 2.885 -10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.182 3.652 -8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.656 5.275 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.347 4.406 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.881 2.796 -8.916 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.264 2.265 -6.706 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.720 3.321 -5.399 1.00 0.00 H new ATOM 155 N PRO A 12 1.277 4.001 -12.603 1.00 0.00 N ATOM 156 CA PRO A 12 0.199 4.560 -13.447 1.00 0.00 C ATOM 157 C PRO A 12 -1.127 4.668 -12.658 1.00 0.00 C ATOM 158 O PRO A 12 -1.288 4.023 -11.611 1.00 0.00 O ATOM 159 CB PRO A 12 0.098 3.533 -14.608 1.00 0.00 C ATOM 160 CG PRO A 12 0.570 2.246 -14.005 1.00 0.00 C ATOM 161 CD PRO A 12 1.668 2.639 -13.045 1.00 0.00 C ATOM 0 HA PRO A 12 0.401 5.573 -13.795 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.924 3.448 -14.977 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.719 3.827 -15.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.241 1.733 -13.488 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.941 1.565 -14.771 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.732 1.948 -12.204 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.644 2.640 -13.531 1.00 0.00 H new ATOM 169 N GLU A 13 -2.069 5.480 -13.172 1.00 0.00 N ATOM 170 CA GLU A 13 -3.418 5.651 -12.572 1.00 0.00 C ATOM 171 C GLU A 13 -4.221 4.324 -12.580 1.00 0.00 C ATOM 172 O GLU A 13 -5.161 4.137 -11.793 1.00 0.00 O ATOM 173 CB GLU A 13 -4.184 6.783 -13.317 1.00 0.00 C ATOM 174 CG GLU A 13 -4.295 6.582 -14.845 1.00 0.00 C ATOM 175 CD GLU A 13 -5.003 7.740 -15.571 1.00 0.00 C ATOM 176 OE1 GLU A 13 -4.443 8.860 -15.608 1.00 0.00 O ATOM 177 OE2 GLU A 13 -6.116 7.542 -16.107 1.00 0.00 O ATOM 0 H GLU A 13 -1.923 6.038 -14.013 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.298 5.938 -11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.188 6.861 -12.899 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -3.684 7.732 -13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.294 6.462 -15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.835 5.656 -15.043 1.00 0.00 H new ATOM 184 N GLY A 14 -3.814 3.432 -13.489 1.00 0.00 N ATOM 185 CA GLY A 14 -4.291 2.057 -13.551 1.00 0.00 C ATOM 186 C GLY A 14 -3.306 1.206 -14.336 1.00 0.00 C ATOM 187 O GLY A 14 -2.815 1.658 -15.377 1.00 0.00 O ATOM 0 H GLY A 14 -3.131 3.655 -14.213 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.409 1.657 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.272 2.024 -14.024 1.00 0.00 H new ATOM 191 N ASP A 15 -2.984 -0.011 -13.851 1.00 0.00 N ATOM 192 CA ASP A 15 -2.012 -0.906 -14.528 1.00 0.00 C ATOM 193 C ASP A 15 -2.679 -1.685 -15.672 1.00 0.00 C ATOM 194 O ASP A 15 -2.866 -2.907 -15.612 1.00 0.00 O ATOM 195 CB ASP A 15 -1.304 -1.861 -13.520 1.00 0.00 C ATOM 196 CG ASP A 15 -0.316 -1.134 -12.590 1.00 0.00 C ATOM 197 OD1 ASP A 15 -0.755 -0.589 -11.559 1.00 0.00 O ATOM 198 OD2 ASP A 15 0.909 -1.119 -12.874 1.00 0.00 O ATOM 0 H ASP A 15 -3.380 -0.399 -12.995 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.238 -0.275 -14.965 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.058 -2.365 -12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.771 -2.633 -14.074 1.00 0.00 H new ATOM 203 N GLU A 16 -3.082 -0.930 -16.700 1.00 0.00 N ATOM 204 CA GLU A 16 -3.446 -1.469 -18.016 1.00 0.00 C ATOM 205 C GLU A 16 -2.171 -1.572 -18.888 1.00 0.00 C ATOM 206 O GLU A 16 -2.194 -2.150 -19.983 1.00 0.00 O ATOM 207 CB GLU A 16 -4.593 -0.615 -18.668 1.00 0.00 C ATOM 208 CG GLU A 16 -4.580 0.912 -18.380 1.00 0.00 C ATOM 209 CD GLU A 16 -3.433 1.682 -19.053 1.00 0.00 C ATOM 210 OE1 GLU A 16 -2.342 1.808 -18.454 1.00 0.00 O ATOM 211 OE2 GLU A 16 -3.622 2.172 -20.188 1.00 0.00 O ATOM 0 H GLU A 16 -3.166 0.085 -16.641 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.853 -2.475 -17.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.551 -0.757 -19.748 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.549 -1.016 -18.331 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.528 1.338 -18.709 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.519 1.064 -17.302 1.00 0.00 H new ATOM 218 N VAL A 17 -1.065 -0.984 -18.364 1.00 0.00 N ATOM 219 CA VAL A 17 0.312 -1.201 -18.851 1.00 0.00 C ATOM 220 C VAL A 17 0.718 -2.682 -18.659 1.00 0.00 C ATOM 221 O VAL A 17 0.217 -3.358 -17.741 1.00 0.00 O ATOM 222 CB VAL A 17 1.341 -0.267 -18.092 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.995 1.231 -18.288 1.00 0.00 C ATOM 224 CG2 VAL A 17 1.427 -0.619 -16.577 1.00 0.00 C ATOM 0 H VAL A 17 -1.112 -0.336 -17.578 1.00 0.00 H new ATOM 0 HA VAL A 17 0.335 -0.951 -19.912 1.00 0.00 H new ATOM 0 HB VAL A 17 2.322 -0.448 -18.532 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.721 1.845 -17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.024 1.475 -19.350 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.004 1.428 -17.898 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.143 0.043 -16.090 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.446 -0.494 -16.118 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.752 -1.653 -16.462 1.00 0.00 H new ATOM 234 N ASP A 18 1.621 -3.182 -19.520 1.00 0.00 N ATOM 235 CA ASP A 18 2.128 -4.566 -19.420 1.00 0.00 C ATOM 236 C ASP A 18 3.307 -4.627 -18.437 1.00 0.00 C ATOM 237 O ASP A 18 4.054 -3.654 -18.275 1.00 0.00 O ATOM 238 CB ASP A 18 2.542 -5.134 -20.809 1.00 0.00 C ATOM 239 CG ASP A 18 2.923 -6.638 -20.760 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.108 -7.443 -20.269 1.00 0.00 O ATOM 241 OD2 ASP A 18 4.020 -7.018 -21.221 1.00 0.00 O ATOM 0 H ASP A 18 2.017 -2.649 -20.295 1.00 0.00 H new ATOM 0 HA ASP A 18 1.318 -5.191 -19.044 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.720 -4.996 -21.512 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.388 -4.563 -21.192 1.00 0.00 H new ATOM 246 N TRP A 19 3.444 -5.782 -17.774 1.00 0.00 N ATOM 247 CA TRP A 19 4.448 -6.029 -16.728 1.00 0.00 C ATOM 248 C TRP A 19 5.503 -7.053 -17.209 1.00 0.00 C ATOM 249 O TRP A 19 5.431 -7.553 -18.337 1.00 0.00 O ATOM 250 CB TRP A 19 3.739 -6.552 -15.447 1.00 0.00 C ATOM 251 CG TRP A 19 2.961 -5.532 -14.645 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.388 -4.370 -15.070 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.662 -5.630 -13.255 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.782 -3.734 -14.020 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.932 -4.496 -12.896 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.952 -6.578 -12.283 1.00 0.00 C ATOM 257 CZ2 TRP A 19 1.491 -4.274 -11.600 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.516 -6.366 -10.992 1.00 0.00 C ATOM 259 CH2 TRP A 19 1.790 -5.218 -10.659 1.00 0.00 C ATOM 0 H TRP A 19 2.847 -6.590 -17.953 1.00 0.00 H new ATOM 0 HA TRP A 19 4.962 -5.094 -16.505 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.057 -7.352 -15.736 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.493 -6.996 -14.796 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.409 -4.005 -16.086 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.298 -2.838 -14.069 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.510 -7.468 -12.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.931 -3.387 -11.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.738 -7.096 -10.228 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.460 -5.075 -9.641 1.00 0.00 H new ATOM 270 N VAL A 20 6.471 -7.350 -16.319 1.00 0.00 N ATOM 271 CA VAL A 20 7.539 -8.340 -16.545 1.00 0.00 C ATOM 272 C VAL A 20 8.166 -8.744 -15.189 1.00 0.00 C ATOM 273 O VAL A 20 8.483 -7.883 -14.357 1.00 0.00 O ATOM 274 CB VAL A 20 8.645 -7.808 -17.543 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.296 -6.481 -17.060 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.707 -8.904 -17.836 1.00 0.00 C ATOM 0 H VAL A 20 6.532 -6.899 -15.406 1.00 0.00 H new ATOM 0 HA VAL A 20 7.093 -9.217 -17.013 1.00 0.00 H new ATOM 0 HB VAL A 20 8.143 -7.573 -18.482 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.048 -6.161 -17.782 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.529 -5.712 -16.969 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.768 -6.639 -16.090 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.455 -8.511 -18.525 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.191 -9.200 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.221 -9.771 -18.284 1.00 0.00 H new ATOM 286 N GLN A 21 8.310 -10.062 -14.968 1.00 0.00 N ATOM 287 CA GLN A 21 8.966 -10.624 -13.771 1.00 0.00 C ATOM 288 C GLN A 21 10.481 -10.341 -13.816 1.00 0.00 C ATOM 289 O GLN A 21 11.072 -10.264 -14.895 1.00 0.00 O ATOM 290 CB GLN A 21 8.685 -12.147 -13.669 1.00 0.00 C ATOM 291 CG GLN A 21 9.171 -12.827 -12.366 1.00 0.00 C ATOM 292 CD GLN A 21 8.844 -14.324 -12.305 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.796 -15.007 -13.331 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.614 -14.846 -11.113 1.00 0.00 N ATOM 0 H GLN A 21 7.973 -10.773 -15.617 1.00 0.00 H new ATOM 0 HA GLN A 21 8.556 -10.145 -12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.611 -12.308 -13.764 1.00 0.00 H new ATOM 0 HB3 GLN A 21 9.158 -12.644 -14.516 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.249 -12.694 -12.275 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.715 -12.327 -11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.660 -14.258 -10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.390 -15.837 -11.025 1.00 0.00 H new ATOM 303 N CYS A 22 11.100 -10.193 -12.636 1.00 0.00 N ATOM 304 CA CYS A 22 12.500 -9.737 -12.499 1.00 0.00 C ATOM 305 C CYS A 22 13.299 -10.726 -11.619 1.00 0.00 C ATOM 306 O CYS A 22 14.031 -10.330 -10.695 1.00 0.00 O ATOM 307 CB CYS A 22 12.494 -8.304 -11.914 1.00 0.00 C ATOM 308 SG CYS A 22 13.809 -7.228 -12.541 1.00 0.00 S ATOM 0 H CYS A 22 10.646 -10.386 -11.743 1.00 0.00 H new ATOM 0 HA CYS A 22 12.993 -9.712 -13.471 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.531 -7.842 -12.130 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.581 -8.368 -10.829 1.00 0.00 H new ATOM 313 N ASP A 23 13.177 -12.005 -11.982 1.00 0.00 N ATOM 314 CA ASP A 23 13.734 -13.178 -11.251 1.00 0.00 C ATOM 315 C ASP A 23 15.273 -13.138 -11.043 1.00 0.00 C ATOM 316 O ASP A 23 15.781 -13.818 -10.149 1.00 0.00 O ATOM 317 CB ASP A 23 13.340 -14.468 -12.018 1.00 0.00 C ATOM 318 CG ASP A 23 13.656 -14.388 -13.528 1.00 0.00 C ATOM 319 OD1 ASP A 23 12.778 -13.929 -14.297 1.00 0.00 O ATOM 320 OD2 ASP A 23 14.774 -14.759 -13.953 1.00 0.00 O ATOM 0 H ASP A 23 12.670 -12.278 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 23 13.306 -13.156 -10.249 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.868 -15.318 -11.586 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.274 -14.654 -11.884 1.00 0.00 H new ATOM 325 N GLY A 24 15.989 -12.352 -11.876 1.00 0.00 N ATOM 326 CA GLY A 24 17.453 -12.198 -11.773 1.00 0.00 C ATOM 327 C GLY A 24 17.973 -11.932 -10.354 1.00 0.00 C ATOM 328 O GLY A 24 18.772 -12.704 -9.825 1.00 0.00 O ATOM 0 H GLY A 24 15.571 -11.811 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.927 -13.102 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.764 -11.377 -12.419 1.00 0.00 H new ATOM 332 N SER A 25 17.487 -10.842 -9.752 1.00 0.00 N ATOM 333 CA SER A 25 17.794 -10.451 -8.363 1.00 0.00 C ATOM 334 C SER A 25 16.713 -9.450 -7.900 1.00 0.00 C ATOM 335 O SER A 25 16.993 -8.277 -7.631 1.00 0.00 O ATOM 336 CB SER A 25 19.219 -9.827 -8.226 1.00 0.00 C ATOM 337 OG SER A 25 20.247 -10.691 -8.689 1.00 0.00 O ATOM 0 H SER A 25 16.857 -10.191 -10.221 1.00 0.00 H new ATOM 0 HA SER A 25 17.789 -11.341 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.257 -8.893 -8.786 1.00 0.00 H new ATOM 0 HB3 SER A 25 19.403 -9.579 -7.181 1.00 0.00 H new ATOM 0 HG SER A 25 19.852 -11.534 -8.995 1.00 0.00 H new ATOM 343 N CYS A 26 15.456 -9.918 -7.909 1.00 0.00 N ATOM 344 CA CYS A 26 14.291 -9.173 -7.372 1.00 0.00 C ATOM 345 C CYS A 26 13.191 -10.179 -6.992 1.00 0.00 C ATOM 346 O CYS A 26 12.553 -10.049 -5.936 1.00 0.00 O ATOM 347 CB CYS A 26 13.708 -8.146 -8.382 1.00 0.00 C ATOM 348 SG CYS A 26 14.803 -6.765 -8.835 1.00 0.00 S ATOM 0 H CYS A 26 15.210 -10.831 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 26 14.637 -8.611 -6.504 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.431 -8.678 -9.292 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.790 -7.734 -7.962 1.00 0.00 H new ATOM 353 N ASN A 27 12.948 -11.145 -7.921 1.00 0.00 N ATOM 354 CA ASN A 27 12.003 -12.286 -7.726 1.00 0.00 C ATOM 355 C ASN A 27 10.540 -11.811 -7.686 1.00 0.00 C ATOM 356 O ASN A 27 9.655 -12.526 -7.200 1.00 0.00 O ATOM 357 CB ASN A 27 12.349 -13.116 -6.452 1.00 0.00 C ATOM 358 CG ASN A 27 13.699 -13.829 -6.521 1.00 0.00 C ATOM 359 OD1 ASN A 27 14.595 -13.427 -7.267 1.00 0.00 O ATOM 360 ND2 ASN A 27 13.862 -14.874 -5.724 1.00 0.00 N ATOM 0 H ASN A 27 13.405 -11.156 -8.833 1.00 0.00 H new ATOM 0 HA ASN A 27 12.120 -12.941 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.344 -12.453 -5.587 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.566 -13.857 -6.290 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.751 -15.374 -5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.099 -15.179 -5.120 1.00 0.00 H new ATOM 367 N GLN A 28 10.296 -10.617 -8.240 1.00 0.00 N ATOM 368 CA GLN A 28 8.971 -9.992 -8.281 1.00 0.00 C ATOM 369 C GLN A 28 8.763 -9.303 -9.630 1.00 0.00 C ATOM 370 O GLN A 28 9.728 -9.044 -10.367 1.00 0.00 O ATOM 371 CB GLN A 28 8.817 -8.972 -7.120 1.00 0.00 C ATOM 372 CG GLN A 28 9.834 -7.814 -7.131 1.00 0.00 C ATOM 373 CD GLN A 28 9.712 -6.853 -5.939 1.00 0.00 C ATOM 374 OE1 GLN A 28 9.970 -5.663 -6.075 1.00 0.00 O ATOM 375 NE2 GLN A 28 9.368 -7.366 -4.762 1.00 0.00 N ATOM 0 H GLN A 28 11.024 -10.052 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 28 8.212 -10.765 -8.160 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.811 -8.553 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.907 -9.505 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.841 -8.231 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.711 -7.247 -8.054 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.159 -8.361 -4.681 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.313 -6.765 -3.940 1.00 0.00 H new ATOM 384 N TRP A 29 7.500 -9.009 -9.922 1.00 0.00 N ATOM 385 CA TRP A 29 7.079 -8.348 -11.156 1.00 0.00 C ATOM 386 C TRP A 29 7.237 -6.819 -11.051 1.00 0.00 C ATOM 387 O TRP A 29 7.190 -6.238 -9.957 1.00 0.00 O ATOM 388 CB TRP A 29 5.608 -8.733 -11.475 1.00 0.00 C ATOM 389 CG TRP A 29 5.424 -10.146 -11.993 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.715 -11.314 -11.353 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.887 -10.520 -13.264 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.419 -12.381 -12.163 1.00 0.00 N ATOM 393 CE2 TRP A 29 4.906 -11.918 -13.341 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.409 -9.791 -14.345 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.447 -12.607 -14.460 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.949 -10.462 -15.456 1.00 0.00 C ATOM 397 CH2 TRP A 29 3.981 -11.861 -15.514 1.00 0.00 C ATOM 0 H TRP A 29 6.724 -9.227 -9.297 1.00 0.00 H new ATOM 0 HA TRP A 29 7.720 -8.685 -11.971 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.010 -8.610 -10.572 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.216 -8.035 -12.214 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.119 -11.388 -10.354 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.560 -13.363 -11.924 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.398 -8.711 -14.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.457 -13.686 -14.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.559 -9.902 -16.293 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.632 -12.362 -16.405 1.00 0.00 H new ATOM 408 N PHE A 30 7.460 -6.197 -12.213 1.00 0.00 N ATOM 409 CA PHE A 30 7.552 -4.737 -12.390 1.00 0.00 C ATOM 410 C PHE A 30 6.837 -4.362 -13.691 1.00 0.00 C ATOM 411 O PHE A 30 6.928 -5.088 -14.676 1.00 0.00 O ATOM 412 CB PHE A 30 9.032 -4.241 -12.469 1.00 0.00 C ATOM 413 CG PHE A 30 9.828 -4.324 -11.170 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.510 -5.485 -10.827 1.00 0.00 C ATOM 415 CD2 PHE A 30 9.910 -3.233 -10.299 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.242 -5.563 -9.663 1.00 0.00 C ATOM 417 CE2 PHE A 30 10.644 -3.315 -9.135 1.00 0.00 C ATOM 418 CZ PHE A 30 11.311 -4.479 -8.816 1.00 0.00 C ATOM 0 H PHE A 30 7.586 -6.708 -13.086 1.00 0.00 H new ATOM 0 HA PHE A 30 7.089 -4.262 -11.525 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.551 -4.824 -13.230 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.031 -3.205 -12.807 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.465 -6.341 -11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.393 -2.316 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.763 -6.476 -9.414 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.697 -2.465 -8.471 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.886 -4.541 -7.904 1.00 0.00 H new ATOM 428 N HIS A 31 6.119 -3.228 -13.671 1.00 0.00 N ATOM 429 CA HIS A 31 5.609 -2.555 -14.902 1.00 0.00 C ATOM 430 C HIS A 31 6.799 -2.257 -15.854 1.00 0.00 C ATOM 431 O HIS A 31 7.905 -1.975 -15.380 1.00 0.00 O ATOM 432 CB HIS A 31 4.791 -1.234 -14.550 1.00 0.00 C ATOM 433 CG HIS A 31 4.715 -0.901 -13.068 1.00 0.00 C ATOM 434 ND1 HIS A 31 4.073 -1.687 -12.147 1.00 0.00 N ATOM 435 CD2 HIS A 31 5.422 -0.019 -12.361 1.00 0.00 C ATOM 436 CE1 HIS A 31 4.474 -1.277 -10.933 1.00 0.00 C ATOM 437 NE2 HIS A 31 5.329 -0.262 -11.004 1.00 0.00 N ATOM 0 H HIS A 31 5.870 -2.743 -12.809 1.00 0.00 H new ATOM 0 HA HIS A 31 4.913 -3.223 -15.409 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.246 -0.393 -15.073 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.777 -1.339 -14.936 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.415 -2.441 -12.346 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.996 0.786 -12.795 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.141 -1.720 -10.006 1.00 0.00 H new ATOM 445 N GLN A 32 6.587 -2.344 -17.183 1.00 0.00 N ATOM 446 CA GLN A 32 7.657 -2.061 -18.176 1.00 0.00 C ATOM 447 C GLN A 32 8.226 -0.636 -17.998 1.00 0.00 C ATOM 448 O GLN A 32 9.442 -0.425 -18.061 1.00 0.00 O ATOM 449 CB GLN A 32 7.134 -2.241 -19.622 1.00 0.00 C ATOM 450 CG GLN A 32 6.931 -3.708 -20.061 1.00 0.00 C ATOM 451 CD GLN A 32 6.486 -3.834 -21.522 1.00 0.00 C ATOM 452 OE1 GLN A 32 6.791 -2.981 -22.352 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.803 -4.912 -21.856 1.00 0.00 N ATOM 0 H GLN A 32 5.692 -2.606 -17.597 1.00 0.00 H new ATOM 0 HA GLN A 32 8.459 -2.778 -18.000 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.185 -1.713 -19.718 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.834 -1.765 -20.308 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.862 -4.257 -19.921 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.186 -4.175 -19.417 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.563 -5.604 -21.146 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.515 -5.053 -22.824 1.00 0.00 H new ATOM 462 N VAL A 33 7.315 0.320 -17.742 1.00 0.00 N ATOM 463 CA VAL A 33 7.659 1.735 -17.493 1.00 0.00 C ATOM 464 C VAL A 33 8.523 1.915 -16.208 1.00 0.00 C ATOM 465 O VAL A 33 9.287 2.883 -16.094 1.00 0.00 O ATOM 466 CB VAL A 33 6.357 2.615 -17.408 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.576 2.569 -18.746 1.00 0.00 C ATOM 468 CG2 VAL A 33 5.446 2.194 -16.217 1.00 0.00 C ATOM 0 H VAL A 33 6.313 0.133 -17.701 1.00 0.00 H new ATOM 0 HA VAL A 33 8.261 2.072 -18.337 1.00 0.00 H new ATOM 0 HB VAL A 33 6.670 3.643 -17.225 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.680 3.184 -18.665 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.207 2.951 -19.549 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.291 1.540 -18.966 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.559 2.827 -16.196 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.146 1.153 -16.339 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.995 2.307 -15.282 1.00 0.00 H new ATOM 478 N CYS A 34 8.382 0.970 -15.258 1.00 0.00 N ATOM 479 CA CYS A 34 9.151 0.956 -13.984 1.00 0.00 C ATOM 480 C CYS A 34 10.651 0.685 -14.220 1.00 0.00 C ATOM 481 O CYS A 34 11.517 1.357 -13.645 1.00 0.00 O ATOM 482 CB CYS A 34 8.580 -0.128 -13.051 1.00 0.00 C ATOM 483 SG CYS A 34 8.903 0.114 -11.278 1.00 0.00 S ATOM 0 H CYS A 34 7.731 0.190 -15.347 1.00 0.00 H new ATOM 0 HA CYS A 34 9.055 1.941 -13.527 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.502 -0.181 -13.202 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.991 -1.092 -13.349 1.00 0.00 H new ATOM 488 N VAL A 35 10.931 -0.315 -15.070 1.00 0.00 N ATOM 489 CA VAL A 35 12.301 -0.822 -15.316 1.00 0.00 C ATOM 490 C VAL A 35 12.902 -0.275 -16.625 1.00 0.00 C ATOM 491 O VAL A 35 14.091 -0.492 -16.890 1.00 0.00 O ATOM 492 CB VAL A 35 12.320 -2.405 -15.310 1.00 0.00 C ATOM 493 CG1 VAL A 35 12.201 -2.952 -13.862 1.00 0.00 C ATOM 494 CG2 VAL A 35 11.203 -2.981 -16.223 1.00 0.00 C ATOM 0 H VAL A 35 10.215 -0.800 -15.611 1.00 0.00 H new ATOM 0 HA VAL A 35 12.928 -0.459 -14.501 1.00 0.00 H new ATOM 0 HB VAL A 35 13.278 -2.733 -15.714 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.216 -4.042 -13.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.038 -2.588 -13.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.265 -2.610 -13.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.240 -4.070 -16.200 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.230 -2.643 -15.865 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.354 -2.635 -17.245 1.00 0.00 H new ATOM 504 N GLY A 36 12.075 0.416 -17.437 1.00 0.00 N ATOM 505 CA GLY A 36 12.521 0.993 -18.720 1.00 0.00 C ATOM 506 C GLY A 36 12.816 -0.059 -19.800 1.00 0.00 C ATOM 507 O GLY A 36 13.472 0.238 -20.804 1.00 0.00 O ATOM 0 H GLY A 36 11.092 0.588 -17.225 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.754 1.674 -19.088 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.419 1.587 -18.549 1.00 0.00 H new ATOM 511 N VAL A 37 12.329 -1.290 -19.576 1.00 0.00 N ATOM 512 CA VAL A 37 12.495 -2.415 -20.510 1.00 0.00 C ATOM 513 C VAL A 37 11.392 -2.356 -21.593 1.00 0.00 C ATOM 514 O VAL A 37 10.213 -2.176 -21.272 1.00 0.00 O ATOM 515 CB VAL A 37 12.466 -3.794 -19.734 1.00 0.00 C ATOM 516 CG1 VAL A 37 12.430 -5.005 -20.692 1.00 0.00 C ATOM 517 CG2 VAL A 37 13.667 -3.916 -18.757 1.00 0.00 C ATOM 0 H VAL A 37 11.805 -1.534 -18.736 1.00 0.00 H new ATOM 0 HA VAL A 37 13.466 -2.336 -20.999 1.00 0.00 H new ATOM 0 HB VAL A 37 11.542 -3.804 -19.155 1.00 0.00 H new ATOM 0 HG11 VAL A 37 12.411 -5.928 -20.112 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.537 -4.950 -21.315 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.316 -4.994 -21.326 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.619 -4.874 -18.239 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.600 -3.853 -19.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.626 -3.107 -18.028 1.00 0.00 H new ATOM 527 N SER A 38 11.805 -2.485 -22.874 1.00 0.00 N ATOM 528 CA SER A 38 10.894 -2.443 -24.040 1.00 0.00 C ATOM 529 C SER A 38 9.957 -3.680 -24.069 1.00 0.00 C ATOM 530 O SER A 38 10.282 -4.700 -23.452 1.00 0.00 O ATOM 531 CB SER A 38 11.731 -2.384 -25.339 1.00 0.00 C ATOM 532 OG SER A 38 12.645 -1.298 -25.323 1.00 0.00 O ATOM 0 H SER A 38 12.783 -2.622 -23.129 1.00 0.00 H new ATOM 0 HA SER A 38 10.269 -1.553 -23.960 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.278 -3.319 -25.463 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.066 -2.288 -26.197 1.00 0.00 H new ATOM 0 HG SER A 38 13.523 -1.614 -25.023 1.00 0.00 H new ATOM 538 N PRO A 39 8.767 -3.596 -24.763 1.00 0.00 N ATOM 539 CA PRO A 39 7.850 -4.753 -24.950 1.00 0.00 C ATOM 540 C PRO A 39 8.561 -6.026 -25.461 1.00 0.00 C ATOM 541 O PRO A 39 8.447 -7.096 -24.856 1.00 0.00 O ATOM 542 CB PRO A 39 6.828 -4.226 -25.990 1.00 0.00 C ATOM 543 CG PRO A 39 6.773 -2.750 -25.744 1.00 0.00 C ATOM 544 CD PRO A 39 8.183 -2.348 -25.357 1.00 0.00 C ATOM 0 HA PRO A 39 7.401 -5.069 -24.008 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.147 -4.447 -27.008 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.850 -4.688 -25.855 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.444 -2.216 -26.636 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.065 -2.511 -24.950 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.754 -2.013 -26.223 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.181 -1.528 -24.639 1.00 0.00 H new ATOM 552 N GLU A 40 9.340 -5.867 -26.544 1.00 0.00 N ATOM 553 CA GLU A 40 10.050 -6.978 -27.209 1.00 0.00 C ATOM 554 C GLU A 40 11.209 -7.514 -26.333 1.00 0.00 C ATOM 555 O GLU A 40 11.535 -8.704 -26.388 1.00 0.00 O ATOM 556 CB GLU A 40 10.576 -6.500 -28.590 1.00 0.00 C ATOM 557 CG GLU A 40 11.180 -7.607 -29.475 1.00 0.00 C ATOM 558 CD GLU A 40 11.787 -7.077 -30.789 1.00 0.00 C ATOM 559 OE1 GLU A 40 11.054 -6.958 -31.795 1.00 0.00 O ATOM 560 OE2 GLU A 40 13.001 -6.785 -30.819 1.00 0.00 O ATOM 0 H GLU A 40 9.497 -4.961 -26.986 1.00 0.00 H new ATOM 0 HA GLU A 40 9.351 -7.801 -27.355 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.755 -6.030 -29.132 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.332 -5.732 -28.428 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.952 -8.131 -28.912 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.406 -8.337 -29.710 1.00 0.00 H new ATOM 567 N MET A 41 11.816 -6.624 -25.522 1.00 0.00 N ATOM 568 CA MET A 41 12.890 -7.005 -24.572 1.00 0.00 C ATOM 569 C MET A 41 12.319 -7.885 -23.442 1.00 0.00 C ATOM 570 O MET A 41 12.865 -8.945 -23.131 1.00 0.00 O ATOM 571 CB MET A 41 13.569 -5.742 -23.978 1.00 0.00 C ATOM 572 CG MET A 41 14.416 -4.930 -24.963 1.00 0.00 C ATOM 573 SD MET A 41 14.861 -3.298 -24.319 1.00 0.00 S ATOM 574 CE MET A 41 15.670 -3.687 -22.768 1.00 0.00 C ATOM 0 H MET A 41 11.582 -5.631 -25.504 1.00 0.00 H new ATOM 0 HA MET A 41 13.642 -7.577 -25.116 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.796 -5.093 -23.568 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.203 -6.048 -23.145 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.325 -5.484 -25.197 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.866 -4.810 -25.896 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.394 -2.908 -22.530 1.00 0.00 H new ATOM 0 HE2 MET A 41 14.925 -3.746 -21.974 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.184 -4.644 -22.856 1.00 0.00 H new ATOM 584 N ALA A 42 11.192 -7.440 -22.862 1.00 0.00 N ATOM 585 CA ALA A 42 10.463 -8.192 -21.818 1.00 0.00 C ATOM 586 C ALA A 42 10.020 -9.567 -22.362 1.00 0.00 C ATOM 587 O ALA A 42 10.037 -10.571 -21.648 1.00 0.00 O ATOM 588 CB ALA A 42 9.251 -7.367 -21.333 1.00 0.00 C ATOM 0 H ALA A 42 10.758 -6.549 -23.101 1.00 0.00 H new ATOM 0 HA ALA A 42 11.124 -8.365 -20.969 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.716 -7.924 -20.564 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.598 -6.420 -20.920 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.583 -7.174 -22.172 1.00 0.00 H new ATOM 594 N GLU A 43 9.687 -9.575 -23.658 1.00 0.00 N ATOM 595 CA GLU A 43 9.177 -10.745 -24.375 1.00 0.00 C ATOM 596 C GLU A 43 10.309 -11.767 -24.677 1.00 0.00 C ATOM 597 O GLU A 43 10.129 -12.975 -24.476 1.00 0.00 O ATOM 598 CB GLU A 43 8.488 -10.237 -25.672 1.00 0.00 C ATOM 599 CG GLU A 43 7.765 -11.288 -26.528 1.00 0.00 C ATOM 600 CD GLU A 43 7.106 -10.678 -27.786 1.00 0.00 C ATOM 601 OE1 GLU A 43 7.835 -10.150 -28.655 1.00 0.00 O ATOM 602 OE2 GLU A 43 5.862 -10.721 -27.921 1.00 0.00 O ATOM 0 H GLU A 43 9.767 -8.748 -24.249 1.00 0.00 H new ATOM 0 HA GLU A 43 8.454 -11.280 -23.759 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.766 -9.469 -25.395 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.244 -9.755 -26.292 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.476 -12.056 -26.831 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.002 -11.780 -25.925 1.00 0.00 H new ATOM 609 N LYS A 44 11.494 -11.277 -25.130 1.00 0.00 N ATOM 610 CA LYS A 44 12.606 -12.158 -25.592 1.00 0.00 C ATOM 611 C LYS A 44 13.743 -12.274 -24.550 1.00 0.00 C ATOM 612 O LYS A 44 14.022 -13.377 -24.061 1.00 0.00 O ATOM 613 CB LYS A 44 13.193 -11.653 -26.958 1.00 0.00 C ATOM 614 CG LYS A 44 12.468 -12.187 -28.221 1.00 0.00 C ATOM 615 CD LYS A 44 11.001 -11.724 -28.348 1.00 0.00 C ATOM 616 CE LYS A 44 10.283 -12.359 -29.551 1.00 0.00 C ATOM 617 NZ LYS A 44 10.899 -11.957 -30.845 1.00 0.00 N ATOM 0 H LYS A 44 11.705 -10.281 -25.186 1.00 0.00 H new ATOM 0 HA LYS A 44 12.175 -13.150 -25.726 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.158 -10.564 -26.971 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.243 -11.939 -27.013 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.017 -11.865 -29.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.494 -13.277 -28.209 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.464 -11.977 -27.434 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.973 -10.639 -28.444 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.311 -13.445 -29.458 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.233 -12.066 -29.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.354 -12.366 -31.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.895 -10.920 -30.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.879 -12.304 -30.886 1.00 0.00 H new ATOM 631 N GLU A 45 14.367 -11.133 -24.187 1.00 0.00 N ATOM 632 CA GLU A 45 15.609 -11.108 -23.365 1.00 0.00 C ATOM 633 C GLU A 45 15.991 -9.676 -22.959 1.00 0.00 C ATOM 634 O GLU A 45 15.519 -8.705 -23.557 1.00 0.00 O ATOM 635 CB GLU A 45 16.808 -11.753 -24.129 1.00 0.00 C ATOM 636 CG GLU A 45 17.137 -11.086 -25.489 1.00 0.00 C ATOM 637 CD GLU A 45 18.384 -11.662 -26.183 1.00 0.00 C ATOM 638 OE1 GLU A 45 18.412 -12.878 -26.459 1.00 0.00 O ATOM 639 OE2 GLU A 45 19.333 -10.902 -26.480 1.00 0.00 O ATOM 0 H GLU A 45 14.032 -10.206 -24.450 1.00 0.00 H new ATOM 0 HA GLU A 45 15.398 -11.688 -22.467 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.693 -11.710 -23.494 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.589 -12.807 -24.299 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.280 -11.197 -26.153 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.282 -10.017 -25.332 1.00 0.00 H new ATOM 646 N ASP A 46 16.902 -9.583 -21.973 1.00 0.00 N ATOM 647 CA ASP A 46 17.397 -8.313 -21.411 1.00 0.00 C ATOM 648 C ASP A 46 16.243 -7.539 -20.741 1.00 0.00 C ATOM 649 O ASP A 46 15.888 -6.424 -21.124 1.00 0.00 O ATOM 650 CB ASP A 46 18.175 -7.477 -22.477 1.00 0.00 C ATOM 651 CG ASP A 46 18.922 -6.253 -21.901 1.00 0.00 C ATOM 652 OD1 ASP A 46 19.723 -6.423 -20.964 1.00 0.00 O ATOM 653 OD2 ASP A 46 18.715 -5.119 -22.384 1.00 0.00 O ATOM 0 H ASP A 46 17.322 -10.404 -21.537 1.00 0.00 H new ATOM 0 HA ASP A 46 18.125 -8.531 -20.629 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.895 -8.126 -22.976 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.473 -7.135 -23.237 1.00 0.00 H new ATOM 658 N TYR A 47 15.617 -8.212 -19.768 1.00 0.00 N ATOM 659 CA TYR A 47 14.650 -7.602 -18.834 1.00 0.00 C ATOM 660 C TYR A 47 15.306 -7.401 -17.449 1.00 0.00 C ATOM 661 O TYR A 47 14.654 -7.001 -16.471 1.00 0.00 O ATOM 662 CB TYR A 47 13.367 -8.481 -18.745 1.00 0.00 C ATOM 663 CG TYR A 47 13.617 -9.923 -18.266 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.654 -10.244 -16.904 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.843 -10.957 -19.180 1.00 0.00 C ATOM 666 CE1 TYR A 47 13.913 -11.533 -16.475 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.097 -12.249 -18.755 1.00 0.00 C ATOM 668 CZ TYR A 47 14.131 -12.534 -17.406 1.00 0.00 C ATOM 669 OH TYR A 47 14.396 -13.824 -16.977 1.00 0.00 O ATOM 0 H TYR A 47 15.766 -9.207 -19.601 1.00 0.00 H new ATOM 0 HA TYR A 47 14.354 -6.621 -19.205 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.660 -8.003 -18.067 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.895 -8.514 -19.727 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.477 -9.469 -16.173 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.819 -10.743 -20.238 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.945 -11.757 -15.419 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.268 -13.033 -19.478 1.00 0.00 H new ATOM 0 HH TYR A 47 13.887 -14.008 -16.160 1.00 0.00 H new ATOM 679 N ILE A 48 16.619 -7.667 -17.403 1.00 0.00 N ATOM 680 CA ILE A 48 17.416 -7.689 -16.177 1.00 0.00 C ATOM 681 C ILE A 48 17.721 -6.229 -15.794 1.00 0.00 C ATOM 682 O ILE A 48 18.533 -5.563 -16.439 1.00 0.00 O ATOM 683 CB ILE A 48 18.752 -8.538 -16.369 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.451 -10.054 -16.721 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.675 -8.447 -15.124 1.00 0.00 C ATOM 686 CD1 ILE A 48 17.976 -10.347 -18.144 1.00 0.00 C ATOM 0 H ILE A 48 17.165 -7.877 -18.238 1.00 0.00 H new ATOM 0 HA ILE A 48 16.861 -8.176 -15.375 1.00 0.00 H new ATOM 0 HB ILE A 48 19.276 -8.096 -17.216 1.00 0.00 H new ATOM 0 HG12 ILE A 48 19.357 -10.632 -16.539 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.694 -10.421 -16.027 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.575 -9.039 -15.294 1.00 0.00 H new ATOM 0 HG22 ILE A 48 19.952 -7.407 -14.952 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.147 -8.831 -14.251 1.00 0.00 H new ATOM 0 HD11 ILE A 48 17.805 -11.418 -18.257 1.00 0.00 H new ATOM 0 HD12 ILE A 48 17.048 -9.809 -18.336 1.00 0.00 H new ATOM 0 HD13 ILE A 48 18.736 -10.024 -18.855 1.00 0.00 H new ATOM 698 N CYS A 49 17.002 -5.730 -14.766 1.00 0.00 N ATOM 699 CA CYS A 49 17.090 -4.318 -14.335 1.00 0.00 C ATOM 700 C CYS A 49 18.479 -3.989 -13.753 1.00 0.00 C ATOM 701 O CYS A 49 19.246 -4.906 -13.400 1.00 0.00 O ATOM 702 CB CYS A 49 16.001 -3.992 -13.286 1.00 0.00 C ATOM 703 SG CYS A 49 16.369 -4.612 -11.606 1.00 0.00 S ATOM 0 H CYS A 49 16.350 -6.289 -14.216 1.00 0.00 H new ATOM 0 HA CYS A 49 16.931 -3.703 -15.221 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.868 -2.911 -13.241 1.00 0.00 H new ATOM 0 HB3 CYS A 49 15.054 -4.416 -13.618 1.00 0.00 H new ATOM 708 N VAL A 50 18.769 -2.675 -13.631 1.00 0.00 N ATOM 709 CA VAL A 50 20.031 -2.157 -13.056 1.00 0.00 C ATOM 710 C VAL A 50 20.303 -2.793 -11.672 1.00 0.00 C ATOM 711 O VAL A 50 21.398 -3.293 -11.430 1.00 0.00 O ATOM 712 CB VAL A 50 19.994 -0.582 -12.935 1.00 0.00 C ATOM 713 CG1 VAL A 50 21.321 -0.013 -12.370 1.00 0.00 C ATOM 714 CG2 VAL A 50 19.641 0.077 -14.297 1.00 0.00 C ATOM 0 H VAL A 50 18.130 -1.939 -13.931 1.00 0.00 H new ATOM 0 HA VAL A 50 20.842 -2.430 -13.731 1.00 0.00 H new ATOM 0 HB VAL A 50 19.206 -0.334 -12.224 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.252 1.073 -12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 50 21.501 -0.427 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.144 -0.285 -13.031 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.623 1.161 -14.183 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.391 -0.197 -15.039 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.661 -0.270 -14.626 1.00 0.00 H new ATOM 724 N ARG A 51 19.247 -2.831 -10.819 1.00 0.00 N ATOM 725 CA ARG A 51 19.310 -3.455 -9.468 1.00 0.00 C ATOM 726 C ARG A 51 19.824 -4.901 -9.519 1.00 0.00 C ATOM 727 O ARG A 51 20.637 -5.291 -8.694 1.00 0.00 O ATOM 728 CB ARG A 51 17.925 -3.476 -8.772 1.00 0.00 C ATOM 729 CG ARG A 51 17.329 -2.101 -8.462 1.00 0.00 C ATOM 730 CD ARG A 51 16.082 -2.202 -7.567 1.00 0.00 C ATOM 731 NE ARG A 51 16.401 -2.862 -6.284 1.00 0.00 N ATOM 732 CZ ARG A 51 15.519 -3.440 -5.462 1.00 0.00 C ATOM 733 NH1 ARG A 51 14.221 -3.413 -5.725 1.00 0.00 N ATOM 734 NH2 ARG A 51 15.951 -4.059 -4.378 1.00 0.00 N ATOM 0 H ARG A 51 18.335 -2.434 -11.044 1.00 0.00 H new ATOM 0 HA ARG A 51 20.004 -2.835 -8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 51 17.226 -4.022 -9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 51 18.013 -4.034 -7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 51 18.080 -1.483 -7.969 1.00 0.00 H new ATOM 0 HG3 ARG A 51 17.067 -1.601 -9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.684 -1.205 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.303 -2.763 -8.084 1.00 0.00 H new ATOM 0 HE ARG A 51 17.381 -2.878 -6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.881 -2.946 -6.566 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.562 -3.859 -5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.950 -4.093 -4.174 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.286 -4.503 -3.745 1.00 0.00 H new ATOM 748 N CYS A 52 19.321 -5.675 -10.500 1.00 0.00 N ATOM 749 CA CYS A 52 19.687 -7.095 -10.661 1.00 0.00 C ATOM 750 C CYS A 52 21.190 -7.252 -10.918 1.00 0.00 C ATOM 751 O CYS A 52 21.840 -8.079 -10.278 1.00 0.00 O ATOM 752 CB CYS A 52 18.874 -7.771 -11.789 1.00 0.00 C ATOM 753 SG CYS A 52 17.215 -8.334 -11.316 1.00 0.00 S ATOM 0 H CYS A 52 18.656 -5.338 -11.196 1.00 0.00 H new ATOM 0 HA CYS A 52 19.442 -7.597 -9.725 1.00 0.00 H new ATOM 0 HB2 CYS A 52 18.779 -7.069 -12.617 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.439 -8.627 -12.159 1.00 0.00 H new ATOM 758 N THR A 53 21.716 -6.440 -11.845 1.00 0.00 N ATOM 759 CA THR A 53 23.127 -6.505 -12.261 1.00 0.00 C ATOM 760 C THR A 53 24.070 -6.073 -11.111 1.00 0.00 C ATOM 761 O THR A 53 25.063 -6.753 -10.816 1.00 0.00 O ATOM 762 CB THR A 53 23.350 -5.606 -13.517 1.00 0.00 C ATOM 763 OG1 THR A 53 22.328 -5.895 -14.493 1.00 0.00 O ATOM 764 CG2 THR A 53 24.743 -5.812 -14.151 1.00 0.00 C ATOM 0 H THR A 53 21.178 -5.720 -12.328 1.00 0.00 H new ATOM 0 HA THR A 53 23.364 -7.538 -12.514 1.00 0.00 H new ATOM 0 HB THR A 53 23.292 -4.566 -13.194 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.462 -5.332 -15.284 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.846 -5.163 -15.021 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.515 -5.567 -13.421 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.852 -6.852 -14.459 1.00 0.00 H new ATOM 772 N VAL A 54 23.700 -4.961 -10.449 1.00 0.00 N ATOM 773 CA VAL A 54 24.466 -4.371 -9.326 1.00 0.00 C ATOM 774 C VAL A 54 24.461 -5.315 -8.101 1.00 0.00 C ATOM 775 O VAL A 54 25.456 -5.406 -7.371 1.00 0.00 O ATOM 776 CB VAL A 54 23.884 -2.951 -8.950 1.00 0.00 C ATOM 777 CG1 VAL A 54 24.600 -2.334 -7.725 1.00 0.00 C ATOM 778 CG2 VAL A 54 23.957 -1.987 -10.163 1.00 0.00 C ATOM 0 H VAL A 54 22.854 -4.439 -10.678 1.00 0.00 H new ATOM 0 HA VAL A 54 25.501 -4.243 -9.643 1.00 0.00 H new ATOM 0 HB VAL A 54 22.838 -3.096 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.167 -1.359 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.477 -2.990 -6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.661 -2.218 -7.944 1.00 0.00 H new ATOM 0 HG21 VAL A 54 23.551 -1.016 -9.881 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.995 -1.870 -10.473 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.376 -2.397 -10.989 1.00 0.00 H new ATOM 788 N LYS A 55 23.338 -6.035 -7.914 1.00 0.00 N ATOM 789 CA LYS A 55 23.168 -7.018 -6.826 1.00 0.00 C ATOM 790 C LYS A 55 24.039 -8.249 -7.143 1.00 0.00 C ATOM 791 O LYS A 55 25.085 -8.461 -6.526 1.00 0.00 O ATOM 792 CB LYS A 55 21.656 -7.418 -6.693 1.00 0.00 C ATOM 793 CG LYS A 55 21.149 -8.032 -5.345 1.00 0.00 C ATOM 794 CD LYS A 55 21.879 -9.324 -4.851 1.00 0.00 C ATOM 795 CE LYS A 55 23.027 -9.042 -3.858 1.00 0.00 C ATOM 796 NZ LYS A 55 23.744 -10.272 -3.451 1.00 0.00 N ATOM 0 H LYS A 55 22.519 -5.951 -8.516 1.00 0.00 H new ATOM 0 HA LYS A 55 23.482 -6.588 -5.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 21.061 -6.527 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 55 21.434 -8.134 -7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 55 21.237 -7.272 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 20.088 -8.258 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 55 21.152 -9.983 -4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.278 -9.858 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.734 -8.348 -4.313 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.624 -8.551 -2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.504 -10.027 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.078 -10.926 -2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.154 -10.729 -4.291 1.00 0.00 H new ATOM 810 N ASP A 56 23.589 -9.036 -8.128 1.00 0.00 N ATOM 811 CA ASP A 56 24.190 -10.326 -8.477 1.00 0.00 C ATOM 812 C ASP A 56 24.104 -10.551 -9.996 1.00 0.00 C ATOM 813 O ASP A 56 25.093 -10.338 -10.707 1.00 0.00 O ATOM 814 CB ASP A 56 23.488 -11.466 -7.690 1.00 0.00 C ATOM 815 CG ASP A 56 24.068 -12.862 -7.980 1.00 0.00 C ATOM 816 OD1 ASP A 56 25.249 -13.090 -7.644 1.00 0.00 O ATOM 817 OD2 ASP A 56 23.345 -13.735 -8.502 1.00 0.00 O ATOM 0 H ASP A 56 22.788 -8.791 -8.711 1.00 0.00 H new ATOM 0 HA ASP A 56 25.244 -10.326 -8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.569 -11.263 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 56 22.426 -11.465 -7.935 1.00 0.00 H new ATOM 822 N ALA A 57 22.890 -10.912 -10.474 1.00 0.00 N ATOM 823 CA ALA A 57 22.625 -11.325 -11.880 1.00 0.00 C ATOM 824 C ALA A 57 23.680 -12.332 -12.418 1.00 0.00 C ATOM 825 O ALA A 57 24.714 -11.918 -12.967 1.00 0.00 O ATOM 826 CB ALA A 57 22.497 -10.101 -12.808 1.00 0.00 C ATOM 0 H ALA A 57 22.054 -10.926 -9.890 1.00 0.00 H new ATOM 0 HA ALA A 57 21.669 -11.849 -11.875 1.00 0.00 H new ATOM 0 HB1 ALA A 57 22.304 -10.436 -13.827 1.00 0.00 H new ATOM 0 HB2 ALA A 57 21.673 -9.473 -12.470 1.00 0.00 H new ATOM 0 HB3 ALA A 57 23.424 -9.528 -12.784 1.00 0.00 H new ATOM 832 N PRO A 58 23.453 -13.676 -12.262 1.00 0.00 N ATOM 833 CA PRO A 58 24.435 -14.705 -12.689 1.00 0.00 C ATOM 834 C PRO A 58 24.362 -15.022 -14.211 1.00 0.00 C ATOM 835 O PRO A 58 24.903 -16.039 -14.665 1.00 0.00 O ATOM 836 CB PRO A 58 24.038 -15.917 -11.809 1.00 0.00 C ATOM 837 CG PRO A 58 22.551 -15.796 -11.640 1.00 0.00 C ATOM 838 CD PRO A 58 22.237 -14.301 -11.654 1.00 0.00 C ATOM 0 HA PRO A 58 25.470 -14.390 -12.558 1.00 0.00 H new ATOM 0 HB2 PRO A 58 24.307 -16.859 -12.288 1.00 0.00 H new ATOM 0 HB3 PRO A 58 24.549 -15.892 -10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 58 22.025 -16.311 -12.444 1.00 0.00 H new ATOM 0 HG3 PRO A 58 22.228 -16.252 -10.704 1.00 0.00 H new ATOM 0 HD2 PRO A 58 21.344 -14.087 -12.241 1.00 0.00 H new ATOM 0 HD3 PRO A 58 22.056 -13.923 -10.648 1.00 0.00 H new ATOM 846 N SER A 59 23.703 -14.129 -14.985 1.00 0.00 N ATOM 847 CA SER A 59 23.520 -14.286 -16.440 1.00 0.00 C ATOM 848 C SER A 59 24.764 -13.769 -17.197 1.00 0.00 C ATOM 849 O SER A 59 24.959 -12.547 -17.312 1.00 0.00 O ATOM 850 CB SER A 59 22.246 -13.522 -16.880 1.00 0.00 C ATOM 851 OG SER A 59 21.116 -13.935 -16.127 1.00 0.00 O ATOM 0 H SER A 59 23.283 -13.277 -14.613 1.00 0.00 H new ATOM 0 HA SER A 59 23.399 -15.342 -16.680 1.00 0.00 H new ATOM 0 HB2 SER A 59 22.399 -12.450 -16.753 1.00 0.00 H new ATOM 0 HB3 SER A 59 22.063 -13.695 -17.941 1.00 0.00 H new ATOM 0 HG SER A 59 20.326 -13.437 -16.423 1.00 0.00 H new ATOM 857 N ARG A 60 25.619 -14.719 -17.648 1.00 0.00 N ATOM 858 CA ARG A 60 26.817 -14.464 -18.497 1.00 0.00 C ATOM 859 C ARG A 60 27.931 -13.689 -17.762 1.00 0.00 C ATOM 860 O ARG A 60 27.816 -13.380 -16.572 1.00 0.00 O ATOM 861 CB ARG A 60 26.427 -13.753 -19.831 1.00 0.00 C ATOM 862 CG ARG A 60 25.405 -14.528 -20.691 1.00 0.00 C ATOM 863 CD ARG A 60 25.896 -15.926 -21.109 1.00 0.00 C ATOM 864 NE ARG A 60 24.903 -16.614 -21.957 1.00 0.00 N ATOM 865 CZ ARG A 60 25.190 -17.483 -22.939 1.00 0.00 C ATOM 866 NH1 ARG A 60 26.447 -17.825 -23.211 1.00 0.00 N ATOM 867 NH2 ARG A 60 24.200 -18.028 -23.633 1.00 0.00 N ATOM 0 H ARG A 60 25.495 -15.707 -17.429 1.00 0.00 H new ATOM 0 HA ARG A 60 27.230 -15.444 -18.736 1.00 0.00 H new ATOM 0 HB2 ARG A 60 26.017 -12.770 -19.598 1.00 0.00 H new ATOM 0 HB3 ARG A 60 27.330 -13.591 -20.420 1.00 0.00 H new ATOM 0 HG2 ARG A 60 24.474 -14.629 -20.133 1.00 0.00 H new ATOM 0 HG3 ARG A 60 25.179 -13.947 -21.585 1.00 0.00 H new ATOM 0 HD2 ARG A 60 26.838 -15.836 -21.650 1.00 0.00 H new ATOM 0 HD3 ARG A 60 26.095 -16.525 -20.220 1.00 0.00 H new ATOM 0 HE ARG A 60 23.918 -16.413 -21.783 1.00 0.00 H new ATOM 0 HH11 ARG A 60 27.213 -17.425 -22.669 1.00 0.00 H new ATOM 0 HH12 ARG A 60 26.644 -18.487 -23.961 1.00 0.00 H new ATOM 0 HH21 ARG A 60 23.233 -17.786 -23.418 1.00 0.00 H new ATOM 0 HH22 ARG A 60 24.406 -18.690 -24.382 1.00 0.00 H new ATOM 881 N LYS A 61 29.032 -13.420 -18.494 1.00 0.00 N ATOM 882 CA LYS A 61 30.189 -12.649 -17.996 1.00 0.00 C ATOM 883 C LYS A 61 30.831 -11.868 -19.173 1.00 0.00 C ATOM 884 O LYS A 61 31.082 -10.647 -19.030 1.00 0.00 O ATOM 885 CB LYS A 61 31.222 -13.577 -17.276 1.00 0.00 C ATOM 886 CG LYS A 61 31.644 -14.827 -18.076 1.00 0.00 C ATOM 887 CD LYS A 61 32.673 -15.704 -17.333 1.00 0.00 C ATOM 888 CE LYS A 61 32.989 -17.005 -18.097 1.00 0.00 C ATOM 889 NZ LYS A 61 33.515 -16.745 -19.461 1.00 0.00 N ATOM 890 OXT LYS A 61 31.015 -12.467 -20.267 1.00 0.00 O ATOM 0 H LYS A 61 29.143 -13.736 -19.458 1.00 0.00 H new ATOM 0 HA LYS A 61 29.848 -11.931 -17.250 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.113 -12.993 -17.046 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.797 -13.899 -16.325 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.760 -15.424 -18.298 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.065 -14.514 -19.031 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.593 -15.138 -17.188 1.00 0.00 H new ATOM 0 HD3 LYS A 61 32.290 -15.950 -16.343 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.719 -17.586 -17.533 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.085 -17.610 -18.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.792 -17.644 -19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 32.778 -16.289 -20.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.344 -16.120 -19.400 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 7.082 -0.173 -9.818 1.00 0.00 ZN HETATM 906 ZN ZN A 102 15.544 -6.729 -11.064 1.00 0.00 ZN