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 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -92:sc= -0.198! USER MOD Single : A 17 ASN : amide:sc= -0.46 K(o=-0.46,f=-1.4!) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -42.7! C(o=-47!,f=-43!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -109:sc= -0.192 (180deg=-2.08!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.2) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -0.334 (180deg=-0.568) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -19.572 4.021 1.521 1.00 0.00 N ATOM 2 CA ALA A 2 -19.788 5.364 2.122 1.00 0.00 C ATOM 3 C ALA A 2 -19.333 6.467 1.172 1.00 0.00 C ATOM 4 O ALA A 2 -18.534 6.230 0.266 1.00 0.00 O ATOM 5 CB ALA A 2 -19.052 5.473 3.448 1.00 0.00 C ATOM 0 HA ALA A 2 -20.856 5.489 2.300 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.219 6.461 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -19.424 4.712 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.985 5.324 3.285 1.00 0.00 H new ATOM 10 N SER A 3 -19.846 7.674 1.387 1.00 0.00 N ATOM 11 CA SER A 3 -19.493 8.815 0.550 1.00 0.00 C ATOM 12 C SER A 3 -18.613 9.799 1.315 1.00 0.00 C ATOM 13 O SER A 3 -17.776 10.484 0.727 1.00 0.00 O ATOM 14 CB SER A 3 -20.756 9.522 0.055 1.00 0.00 C ATOM 15 OG SER A 3 -21.799 8.594 -0.186 1.00 0.00 O ATOM 0 H SER A 3 -20.507 7.887 2.134 1.00 0.00 H new ATOM 0 HA SER A 3 -18.933 8.444 -0.308 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.080 10.254 0.795 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.534 10.070 -0.861 1.00 0.00 H new ATOM 0 HG SER A 3 -22.595 9.071 -0.500 1.00 0.00 H new ATOM 21 N THR A 4 -18.807 9.862 2.628 1.00 0.00 N ATOM 22 CA THR A 4 -18.031 10.763 3.473 1.00 0.00 C ATOM 23 C THR A 4 -16.539 10.462 3.363 1.00 0.00 C ATOM 24 O THR A 4 -15.721 11.371 3.231 1.00 0.00 O ATOM 25 CB THR A 4 -18.481 10.645 4.930 1.00 0.00 C ATOM 26 OG1 THR A 4 -18.471 9.292 5.350 1.00 0.00 O ATOM 27 CG2 THR A 4 -19.873 11.189 5.172 1.00 0.00 C ATOM 0 H THR A 4 -19.495 9.300 3.130 1.00 0.00 H new ATOM 0 HA THR A 4 -18.204 11.783 3.129 1.00 0.00 H new ATOM 0 HB THR A 4 -17.770 11.242 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.760 9.238 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.130 11.075 6.225 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.903 12.245 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.590 10.639 4.562 1.00 0.00 H new ATOM 35 N SER A 5 -16.194 9.180 3.419 1.00 0.00 N ATOM 36 CA SER A 5 -14.801 8.760 3.322 1.00 0.00 C ATOM 37 C SER A 5 -14.210 9.148 1.972 1.00 0.00 C ATOM 38 O SER A 5 -14.812 9.914 1.218 1.00 0.00 O ATOM 39 CB SER A 5 -14.687 7.247 3.529 1.00 0.00 C ATOM 40 OG SER A 5 -13.562 6.925 4.328 1.00 0.00 O ATOM 0 H SER A 5 -16.859 8.415 3.531 1.00 0.00 H new ATOM 0 HA SER A 5 -14.237 9.269 4.104 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.594 6.872 4.004 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.605 6.750 2.563 1.00 0.00 H new ATOM 0 HG SER A 5 -13.512 5.953 4.447 1.00 0.00 H new ATOM 46 N ARG A 6 -13.029 8.617 1.671 1.00 0.00 N ATOM 47 CA ARG A 6 -12.361 8.913 0.408 1.00 0.00 C ATOM 48 C ARG A 6 -11.496 7.740 -0.040 1.00 0.00 C ATOM 49 O ARG A 6 -10.282 7.737 0.160 1.00 0.00 O ATOM 50 CB ARG A 6 -11.504 10.174 0.544 1.00 0.00 C ATOM 51 CG ARG A 6 -11.516 11.051 -0.697 1.00 0.00 C ATOM 52 CD ARG A 6 -10.202 10.968 -1.457 1.00 0.00 C ATOM 53 NE ARG A 6 -10.406 10.911 -2.903 1.00 0.00 N ATOM 54 CZ ARG A 6 -10.835 11.940 -3.631 1.00 0.00 C ATOM 55 NH1 ARG A 6 -11.104 13.103 -3.054 1.00 0.00 N ATOM 56 NH2 ARG A 6 -10.996 11.802 -4.940 1.00 0.00 N ATOM 0 H ARG A 6 -12.516 7.982 2.282 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.127 9.083 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.860 10.756 1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.477 9.884 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.334 10.746 -1.350 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.706 12.085 -0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.587 11.834 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.652 10.084 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.208 10.032 -3.382 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.983 13.213 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.432 13.888 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.791 10.909 -5.388 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.325 12.589 -5.499 1.00 0.00 H new ATOM 70 N LEU A 7 -12.133 6.744 -0.650 1.00 0.00 N ATOM 71 CA LEU A 7 -11.424 5.563 -1.133 1.00 0.00 C ATOM 72 C LEU A 7 -10.778 4.798 0.018 1.00 0.00 C ATOM 73 O LEU A 7 -9.957 5.344 0.756 1.00 0.00 O ATOM 74 CB LEU A 7 -10.353 5.965 -2.151 1.00 0.00 C ATOM 75 CG LEU A 7 -9.991 4.888 -3.177 1.00 0.00 C ATOM 76 CD1 LEU A 7 -8.803 5.329 -4.018 1.00 0.00 C ATOM 77 CD2 LEU A 7 -9.693 3.566 -2.483 1.00 0.00 C ATOM 0 H LEU A 7 -13.138 6.731 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.153 4.911 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.696 6.851 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.449 6.248 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.845 4.744 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.560 4.551 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.052 6.250 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.944 5.503 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.438 2.813 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.856 3.696 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.572 3.241 -1.926 1.00 0.00 H new ATOM 89 N ASP A 8 -11.148 3.530 0.159 1.00 0.00 N ATOM 90 CA ASP A 8 -10.599 2.687 1.213 1.00 0.00 C ATOM 91 C ASP A 8 -9.353 1.960 0.716 1.00 0.00 C ATOM 92 O ASP A 8 -9.449 0.974 -0.013 1.00 0.00 O ATOM 93 CB ASP A 8 -11.643 1.672 1.683 1.00 0.00 C ATOM 94 CG ASP A 8 -12.138 0.786 0.556 1.00 0.00 C ATOM 95 OD1 ASP A 8 -11.888 1.124 -0.621 1.00 0.00 O ATOM 96 OD2 ASP A 8 -12.779 -0.246 0.849 1.00 0.00 O ATOM 0 H ASP A 8 -11.826 3.064 -0.444 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.324 3.323 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.213 1.050 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -12.488 2.202 2.123 1.00 0.00 H new ATOM 101 N ALA A 9 -8.185 2.461 1.105 1.00 0.00 N ATOM 102 CA ALA A 9 -6.922 1.865 0.685 1.00 0.00 C ATOM 103 C ALA A 9 -6.744 1.991 -0.824 1.00 0.00 C ATOM 104 O ALA A 9 -7.647 1.662 -1.593 1.00 0.00 O ATOM 105 CB ALA A 9 -6.857 0.404 1.110 1.00 0.00 C ATOM 0 H ALA A 9 -8.087 3.277 1.709 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.109 2.404 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.908 -0.026 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.937 0.337 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.679 -0.145 0.651 1.00 0.00 H new ATOM 111 N LEU A 10 -5.581 2.479 -1.242 1.00 0.00 N ATOM 112 CA LEU A 10 -5.294 2.657 -2.663 1.00 0.00 C ATOM 113 C LEU A 10 -5.531 1.365 -3.445 1.00 0.00 C ATOM 114 O LEU A 10 -6.222 1.370 -4.464 1.00 0.00 O ATOM 115 CB LEU A 10 -3.855 3.141 -2.863 1.00 0.00 C ATOM 116 CG LEU A 10 -3.644 4.642 -2.666 1.00 0.00 C ATOM 117 CD1 LEU A 10 -3.304 4.946 -1.215 1.00 0.00 C ATOM 118 CD2 LEU A 10 -2.545 5.152 -3.589 1.00 0.00 C ATOM 0 H LEU A 10 -4.823 2.758 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.978 3.414 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.208 2.604 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.534 2.874 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.572 5.156 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.157 6.019 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.121 4.616 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.390 4.421 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.408 6.222 -3.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.613 4.632 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.826 4.967 -4.626 1.00 0.00 H new ATOM 130 N PRO A 11 -4.958 0.237 -2.985 1.00 0.00 N ATOM 131 CA PRO A 11 -5.106 -1.051 -3.645 1.00 0.00 C ATOM 132 C PRO A 11 -6.267 -1.873 -3.072 1.00 0.00 C ATOM 133 O PRO A 11 -7.411 -1.717 -3.500 1.00 0.00 O ATOM 134 CB PRO A 11 -3.756 -1.707 -3.362 1.00 0.00 C ATOM 135 CG PRO A 11 -3.309 -1.140 -2.043 1.00 0.00 C ATOM 136 CD PRO A 11 -4.112 0.118 -1.790 1.00 0.00 C ATOM 0 HA PRO A 11 -5.345 -0.967 -4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.848 -2.792 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.037 -1.484 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.467 -1.863 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.243 -0.916 -2.064 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.710 0.036 -0.882 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.466 0.988 -1.668 1.00 0.00 H new ATOM 144 N ARG A 12 -5.976 -2.741 -2.102 1.00 0.00 N ATOM 145 CA ARG A 12 -7.001 -3.570 -1.481 1.00 0.00 C ATOM 146 C ARG A 12 -6.826 -3.578 0.040 1.00 0.00 C ATOM 147 O ARG A 12 -7.403 -2.740 0.728 1.00 0.00 O ATOM 148 CB ARG A 12 -6.947 -4.995 -2.039 1.00 0.00 C ATOM 149 CG ARG A 12 -7.769 -5.188 -3.303 1.00 0.00 C ATOM 150 CD ARG A 12 -9.211 -5.545 -2.980 1.00 0.00 C ATOM 151 NE ARG A 12 -9.884 -4.484 -2.234 1.00 0.00 N ATOM 152 CZ ARG A 12 -10.373 -3.381 -2.793 1.00 0.00 C ATOM 153 NH1 ARG A 12 -10.269 -3.189 -4.103 1.00 0.00 N ATOM 154 NH2 ARG A 12 -10.967 -2.465 -2.042 1.00 0.00 N ATOM 0 H ARG A 12 -5.037 -2.886 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.979 -3.149 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.909 -5.255 -2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.302 -5.688 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.743 -4.275 -3.898 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.325 -5.977 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.753 -5.737 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.235 -6.467 -2.400 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.985 -4.596 -1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.812 -3.890 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.646 -2.341 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.049 -2.606 -1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.342 -1.619 -2.471 1.00 0.00 H new ATOM 168 N VAL A 13 -6.017 -4.523 0.544 1.00 0.00 N ATOM 169 CA VAL A 13 -5.734 -4.659 1.982 1.00 0.00 C ATOM 170 C VAL A 13 -5.643 -6.131 2.378 1.00 0.00 C ATOM 171 O VAL A 13 -6.403 -6.599 3.227 1.00 0.00 O ATOM 172 CB VAL A 13 -6.796 -3.972 2.876 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.181 -4.538 2.598 1.00 0.00 C ATOM 174 CG2 VAL A 13 -6.437 -4.121 4.350 1.00 0.00 C ATOM 0 H VAL A 13 -5.540 -5.215 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.779 -4.160 2.146 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.809 -2.909 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.912 -4.042 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.439 -4.370 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.185 -5.608 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.196 -3.631 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.391 -5.179 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.468 -3.659 4.537 1.00 0.00 H new ATOM 184 N THR A 14 -4.702 -6.860 1.771 1.00 0.00 N ATOM 185 CA THR A 14 -4.501 -8.284 2.067 1.00 0.00 C ATOM 186 C THR A 14 -3.658 -8.943 0.979 1.00 0.00 C ATOM 187 O THR A 14 -3.081 -8.261 0.132 1.00 0.00 O ATOM 188 CB THR A 14 -5.846 -9.026 2.195 1.00 0.00 C ATOM 189 OG1 THR A 14 -6.892 -8.295 1.581 1.00 0.00 O ATOM 190 CG2 THR A 14 -6.254 -9.297 3.627 1.00 0.00 C ATOM 0 H THR A 14 -4.064 -6.486 1.068 1.00 0.00 H new ATOM 0 HA THR A 14 -3.977 -8.349 3.021 1.00 0.00 H new ATOM 0 HB THR A 14 -5.688 -9.981 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.315 -7.709 2.244 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.209 -9.821 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.496 -9.912 4.111 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.351 -8.353 4.163 1.00 0.00 H new ATOM 198 N CYS A 15 -3.642 -10.275 0.971 1.00 0.00 N ATOM 199 CA CYS A 15 -2.918 -10.996 -0.067 1.00 0.00 C ATOM 200 C CYS A 15 -3.838 -11.822 -0.957 1.00 0.00 C ATOM 201 O CYS A 15 -4.472 -12.778 -0.516 1.00 0.00 O ATOM 202 CB CYS A 15 -1.776 -11.856 0.460 1.00 0.00 C ATOM 203 SG CYS A 15 -0.260 -11.594 -0.519 1.00 0.00 S ATOM 0 H CYS A 15 -4.113 -10.864 1.658 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.467 -10.212 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.585 -11.614 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.060 -12.908 0.423 1.00 0.00 H new ATOM 208 N PRO A 16 -3.859 -11.479 -2.258 1.00 0.00 N ATOM 209 CA PRO A 16 -4.624 -12.194 -3.271 1.00 0.00 C ATOM 210 C PRO A 16 -3.798 -13.377 -3.701 1.00 0.00 C ATOM 211 O PRO A 16 -3.401 -13.518 -4.854 1.00 0.00 O ATOM 212 CB PRO A 16 -4.718 -11.172 -4.390 1.00 0.00 C ATOM 213 CG PRO A 16 -3.399 -10.488 -4.323 1.00 0.00 C ATOM 214 CD PRO A 16 -3.061 -10.399 -2.861 1.00 0.00 C ATOM 0 HA PRO A 16 -5.601 -12.559 -2.955 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -4.879 -11.646 -5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.543 -10.476 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.639 -11.049 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.448 -9.497 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.995 -10.542 -2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.324 -9.426 -2.447 1.00 0.00 H new ATOM 222 N ASN A 17 -3.500 -14.191 -2.737 1.00 0.00 N ATOM 223 CA ASN A 17 -2.668 -15.368 -2.858 1.00 0.00 C ATOM 224 C ASN A 17 -2.770 -15.987 -1.467 1.00 0.00 C ATOM 225 O ASN A 17 -3.045 -17.168 -1.301 1.00 0.00 O ATOM 226 CB ASN A 17 -1.223 -15.005 -3.205 1.00 0.00 C ATOM 227 CG ASN A 17 -0.641 -15.897 -4.284 1.00 0.00 C ATOM 228 OD1 ASN A 17 -1.348 -16.336 -5.192 1.00 0.00 O ATOM 229 ND2 ASN A 17 0.655 -16.169 -4.190 1.00 0.00 N ATOM 0 H ASN A 17 -3.846 -14.052 -1.787 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.983 -16.039 -3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.182 -13.967 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.608 -15.078 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.103 -16.763 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.203 -15.784 -3.421 1.00 0.00 H new ATOM 236 N HIS A 18 -2.734 -15.083 -0.487 1.00 0.00 N ATOM 237 CA HIS A 18 -3.002 -15.442 0.888 1.00 0.00 C ATOM 238 C HIS A 18 -3.905 -14.392 1.515 1.00 0.00 C ATOM 239 O HIS A 18 -3.437 -13.452 2.161 1.00 0.00 O ATOM 240 CB HIS A 18 -1.774 -15.632 1.750 1.00 0.00 C ATOM 241 CG HIS A 18 -0.566 -14.964 1.302 1.00 0.00 C ATOM 242 ND1 HIS A 18 0.276 -14.262 2.053 1.00 0.00 N flip ATOM 243 CD2 HIS A 18 -0.204 -14.846 0.006 1.00 0.00 C flip ATOM 244 CE1 HIS A 18 1.163 -13.684 1.216 1.00 0.00 C flip ATOM 245 NE2 HIS A 18 0.845 -14.061 -0.006 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.520 -14.096 -0.631 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.486 -16.418 0.850 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.005 -15.283 2.757 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.568 -16.700 1.822 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.682 -15.305 -0.847 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.980 -13.035 1.495 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.348 -13.780 -0.848 1.00 0.00 H new ATOM 253 N PRO A 19 -5.225 -14.551 1.341 1.00 0.00 N ATOM 254 CA PRO A 19 -6.202 -13.625 1.903 1.00 0.00 C ATOM 255 C PRO A 19 -6.049 -13.517 3.415 1.00 0.00 C ATOM 256 O PRO A 19 -6.543 -12.578 4.039 1.00 0.00 O ATOM 257 CB PRO A 19 -7.558 -14.243 1.532 1.00 0.00 C ATOM 258 CG PRO A 19 -7.260 -15.650 1.130 1.00 0.00 C ATOM 259 CD PRO A 19 -5.860 -15.650 0.604 1.00 0.00 C ATOM 0 HA PRO A 19 -6.084 -12.612 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -8.247 -14.214 2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.030 -13.694 0.717 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.356 -16.326 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.961 -15.994 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.360 -16.601 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.834 -15.481 -0.472 1.00 0.00 H new ATOM 267 N ASP A 20 -5.353 -14.492 3.996 1.00 0.00 N ATOM 268 CA ASP A 20 -5.119 -14.524 5.429 1.00 0.00 C ATOM 269 C ASP A 20 -3.909 -13.673 5.816 1.00 0.00 C ATOM 270 O ASP A 20 -3.789 -13.234 6.961 1.00 0.00 O ATOM 271 CB ASP A 20 -4.914 -15.965 5.897 1.00 0.00 C ATOM 272 CG ASP A 20 -6.203 -16.764 5.892 1.00 0.00 C ATOM 273 OD1 ASP A 20 -6.919 -16.743 6.916 1.00 0.00 O ATOM 274 OD2 ASP A 20 -6.495 -17.412 4.865 1.00 0.00 O ATOM 0 H ASP A 20 -4.940 -15.274 3.487 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.997 -14.106 5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.185 -16.454 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.496 -15.961 6.904 1.00 0.00 H new ATOM 279 N ALA A 21 -3.030 -13.384 4.864 1.00 0.00 N ATOM 280 CA ALA A 21 -1.878 -12.545 5.156 1.00 0.00 C ATOM 281 C ALA A 21 -2.067 -11.189 4.532 1.00 0.00 C ATOM 282 O ALA A 21 -2.410 -11.065 3.355 1.00 0.00 O ATOM 283 CB ALA A 21 -0.583 -13.187 4.688 1.00 0.00 C ATOM 0 H ALA A 21 -3.091 -13.712 3.900 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.802 -12.430 6.237 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.255 -12.530 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.448 -14.143 5.193 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.625 -13.348 3.611 1.00 0.00 H new ATOM 289 N ILE A 22 -1.861 -10.193 5.337 1.00 0.00 N ATOM 290 CA ILE A 22 -2.022 -8.848 4.893 1.00 0.00 C ATOM 291 C ILE A 22 -0.679 -8.240 4.519 1.00 0.00 C ATOM 292 O ILE A 22 0.255 -8.266 5.319 1.00 0.00 O ATOM 293 CB ILE A 22 -2.695 -7.984 5.970 1.00 0.00 C ATOM 294 CG1 ILE A 22 -3.288 -8.837 7.099 1.00 0.00 C ATOM 295 CG2 ILE A 22 -3.778 -7.148 5.335 1.00 0.00 C ATOM 296 CD1 ILE A 22 -4.338 -9.820 6.631 1.00 0.00 C ATOM 0 H ILE A 22 -1.579 -10.290 6.312 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.663 -8.870 4.012 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.934 -7.340 6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.483 -9.385 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.728 -8.178 7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.257 -6.534 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.340 -6.504 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.520 -7.801 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.711 -10.387 7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.162 -9.278 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.898 -10.504 5.905 1.00 0.00 H new ATOM 308 N LEU A 23 -0.570 -7.677 3.314 1.00 0.00 N ATOM 309 CA LEU A 23 0.680 -7.051 2.877 1.00 0.00 C ATOM 310 C LEU A 23 1.131 -6.021 3.893 1.00 0.00 C ATOM 311 O LEU A 23 0.317 -5.261 4.407 1.00 0.00 O ATOM 312 CB LEU A 23 0.478 -6.372 1.533 1.00 0.00 C ATOM 313 CG LEU A 23 0.816 -7.233 0.328 1.00 0.00 C ATOM 314 CD1 LEU A 23 -0.344 -8.156 0.012 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.156 -6.355 -0.862 1.00 0.00 C ATOM 0 H LEU A 23 -1.325 -7.641 2.629 1.00 0.00 H new ATOM 0 HA LEU A 23 1.442 -7.825 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.562 -6.054 1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.090 -5.471 1.501 1.00 0.00 H new ATOM 0 HG LEU A 23 1.688 -7.846 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.095 -8.770 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.541 -8.799 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.232 -7.563 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.397 -6.982 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.302 -5.722 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.014 -5.729 -0.619 1.00 0.00 H new ATOM 327 N VAL A 24 2.407 -5.946 4.182 1.00 0.00 N ATOM 328 CA VAL A 24 2.865 -4.973 5.137 1.00 0.00 C ATOM 329 C VAL A 24 3.455 -3.771 4.446 1.00 0.00 C ATOM 330 O VAL A 24 4.213 -3.902 3.486 1.00 0.00 O ATOM 331 CB VAL A 24 3.916 -5.569 6.077 1.00 0.00 C ATOM 332 CG1 VAL A 24 4.260 -4.571 7.172 1.00 0.00 C ATOM 333 CG2 VAL A 24 3.414 -6.888 6.653 1.00 0.00 C ATOM 0 H VAL A 24 3.134 -6.536 3.777 1.00 0.00 H new ATOM 0 HA VAL A 24 1.996 -4.666 5.719 1.00 0.00 H new ATOM 0 HB VAL A 24 4.828 -5.777 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.008 -5.003 7.836 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.656 -3.660 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.362 -4.333 7.743 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.169 -7.304 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.493 -6.715 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.221 -7.589 5.841 1.00 0.00 H new ATOM 343 N GLU A 25 3.126 -2.596 4.961 1.00 0.00 N ATOM 344 CA GLU A 25 3.652 -1.385 4.418 1.00 0.00 C ATOM 345 C GLU A 25 5.133 -1.589 4.287 1.00 0.00 C ATOM 346 O GLU A 25 5.832 -1.772 5.279 1.00 0.00 O ATOM 347 CB GLU A 25 3.341 -0.188 5.319 1.00 0.00 C ATOM 348 CG GLU A 25 1.871 0.199 5.332 1.00 0.00 C ATOM 349 CD GLU A 25 1.583 1.422 4.485 1.00 0.00 C ATOM 350 OE1 GLU A 25 1.745 1.339 3.249 1.00 0.00 O ATOM 351 OE2 GLU A 25 1.197 2.463 5.057 1.00 0.00 O ATOM 0 H GLU A 25 2.496 -2.471 5.754 1.00 0.00 H new ATOM 0 HA GLU A 25 3.197 -1.164 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.656 -0.418 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.930 0.667 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.275 -0.638 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.559 0.391 6.359 1.00 0.00 H new ATOM 358 N ASP A 26 5.593 -1.591 3.062 1.00 0.00 N ATOM 359 CA ASP A 26 6.986 -1.806 2.748 1.00 0.00 C ATOM 360 C ASP A 26 7.122 -2.936 1.737 1.00 0.00 C ATOM 361 O ASP A 26 6.540 -4.004 1.892 1.00 0.00 O ATOM 362 CB ASP A 26 7.839 -2.114 3.976 1.00 0.00 C ATOM 363 CG ASP A 26 9.294 -2.367 3.628 1.00 0.00 C ATOM 364 OD1 ASP A 26 9.591 -3.438 3.059 1.00 0.00 O ATOM 365 OD2 ASP A 26 10.136 -1.493 3.926 1.00 0.00 O ATOM 0 H ASP A 26 5.004 -1.442 2.242 1.00 0.00 H new ATOM 0 HA ASP A 26 7.358 -0.872 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.776 -1.280 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.434 -2.988 4.485 1.00 0.00 H new ATOM 370 N TYR A 27 7.927 -2.681 0.731 1.00 0.00 N ATOM 371 CA TYR A 27 8.220 -3.649 -0.322 1.00 0.00 C ATOM 372 C TYR A 27 9.710 -3.623 -0.575 1.00 0.00 C ATOM 373 O TYR A 27 10.208 -2.766 -1.306 1.00 0.00 O ATOM 374 CB TYR A 27 7.432 -3.335 -1.613 1.00 0.00 C ATOM 375 CG TYR A 27 8.241 -3.370 -2.908 1.00 0.00 C ATOM 376 CD1 TYR A 27 9.158 -4.387 -3.164 1.00 0.00 C ATOM 377 CD2 TYR A 27 8.084 -2.378 -3.871 1.00 0.00 C ATOM 378 CE1 TYR A 27 9.888 -4.413 -4.337 1.00 0.00 C ATOM 379 CE2 TYR A 27 8.812 -2.398 -5.044 1.00 0.00 C ATOM 380 CZ TYR A 27 9.712 -3.416 -5.274 1.00 0.00 C ATOM 381 OH TYR A 27 10.440 -3.436 -6.440 1.00 0.00 O ATOM 0 H TYR A 27 8.406 -1.788 0.612 1.00 0.00 H new ATOM 0 HA TYR A 27 7.910 -4.645 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.612 -4.048 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.985 -2.346 -1.512 1.00 0.00 H new ATOM 0 HD1 TYR A 27 9.301 -5.169 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.380 -1.578 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.593 -5.210 -4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.677 -1.618 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 27 10.196 -2.664 -6.992 1.00 0.00 H new ATOM 391 N ARG A 28 10.437 -4.525 0.062 1.00 0.00 N ATOM 392 CA ARG A 28 11.876 -4.542 -0.097 1.00 0.00 C ATOM 393 C ARG A 28 12.433 -3.149 0.207 1.00 0.00 C ATOM 394 O ARG A 28 13.477 -2.756 -0.316 1.00 0.00 O ATOM 395 CB ARG A 28 12.224 -4.952 -1.525 1.00 0.00 C ATOM 396 CG ARG A 28 13.395 -5.912 -1.623 1.00 0.00 C ATOM 397 CD ARG A 28 13.006 -7.323 -1.208 1.00 0.00 C ATOM 398 NE ARG A 28 12.547 -8.121 -2.343 1.00 0.00 N ATOM 399 CZ ARG A 28 13.316 -8.456 -3.379 1.00 0.00 C ATOM 400 NH1 ARG A 28 14.585 -8.066 -3.428 1.00 0.00 N ATOM 401 NH2 ARG A 28 12.814 -9.185 -4.367 1.00 0.00 N ATOM 0 H ARG A 28 10.061 -5.242 0.683 1.00 0.00 H new ATOM 0 HA ARG A 28 12.318 -5.260 0.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.349 -5.414 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.452 -4.057 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.770 -5.925 -2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.209 -5.558 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.861 -7.813 -0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.218 -7.276 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 28 11.579 -8.441 -2.342 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.976 -7.507 -2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.168 -8.326 -4.224 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.841 -9.488 -4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.401 -9.442 -5.160 1.00 0.00 H new ATOM 415 N ALA A 29 11.696 -2.406 1.048 1.00 0.00 N ATOM 416 CA ALA A 29 12.052 -1.041 1.442 1.00 0.00 C ATOM 417 C ALA A 29 11.305 -0.007 0.592 1.00 0.00 C ATOM 418 O ALA A 29 11.744 1.137 0.473 1.00 0.00 O ATOM 419 CB ALA A 29 13.558 -0.812 1.357 1.00 0.00 C ATOM 0 H ALA A 29 10.832 -2.741 1.474 1.00 0.00 H new ATOM 0 HA ALA A 29 11.749 -0.914 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.788 0.211 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 29 14.070 -1.508 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.894 -0.975 0.333 1.00 0.00 H new ATOM 425 N GLY A 30 10.185 -0.419 -0.008 1.00 0.00 N ATOM 426 CA GLY A 30 9.418 0.491 -0.853 1.00 0.00 C ATOM 427 C GLY A 30 7.905 0.511 -0.600 1.00 0.00 C ATOM 428 O GLY A 30 7.427 1.133 0.348 1.00 0.00 O ATOM 0 H GLY A 30 9.797 -1.359 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.805 1.500 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.591 0.223 -1.895 1.00 0.00 H new ATOM 432 N ASP A 31 7.164 -0.162 -1.487 1.00 0.00 N ATOM 433 CA ASP A 31 5.690 -0.229 -1.423 1.00 0.00 C ATOM 434 C ASP A 31 5.211 -1.219 -0.352 1.00 0.00 C ATOM 435 O ASP A 31 5.748 -1.236 0.735 1.00 0.00 O ATOM 436 CB ASP A 31 5.129 -0.597 -2.800 1.00 0.00 C ATOM 437 CG ASP A 31 5.726 0.249 -3.908 1.00 0.00 C ATOM 438 OD1 ASP A 31 5.903 1.466 -3.694 1.00 0.00 O ATOM 439 OD2 ASP A 31 6.015 -0.306 -4.988 1.00 0.00 O ATOM 0 H ASP A 31 7.564 -0.677 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 31 5.316 0.754 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.328 -1.650 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.046 -0.473 -2.794 1.00 0.00 H new ATOM 444 N MET A 32 4.187 -2.029 -0.663 1.00 0.00 N ATOM 445 CA MET A 32 3.650 -3.007 0.282 1.00 0.00 C ATOM 446 C MET A 32 4.032 -4.420 -0.148 1.00 0.00 C ATOM 447 O MET A 32 3.935 -4.780 -1.312 1.00 0.00 O ATOM 448 CB MET A 32 2.133 -2.879 0.357 1.00 0.00 C ATOM 449 CG MET A 32 1.661 -1.661 1.134 1.00 0.00 C ATOM 450 SD MET A 32 -0.014 -1.163 0.688 1.00 0.00 S ATOM 451 CE MET A 32 0.304 0.390 -0.145 1.00 0.00 C ATOM 0 H MET A 32 3.716 -2.022 -1.568 1.00 0.00 H new ATOM 0 HA MET A 32 4.073 -2.813 1.267 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.731 -2.832 -0.655 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.724 -3.776 0.821 1.00 0.00 H new ATOM 0 HG2 MET A 32 1.700 -1.878 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 32 2.344 -0.831 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.044 1.215 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.374 0.496 -0.322 1.00 0.00 H new ATOM 0 HE3 MET A 32 -0.224 0.406 -1.098 1.00 0.00 H new ATOM 461 N ILE A 33 4.507 -5.191 0.797 1.00 0.00 N ATOM 462 CA ILE A 33 4.964 -6.549 0.544 1.00 0.00 C ATOM 463 C ILE A 33 4.077 -7.555 1.256 1.00 0.00 C ATOM 464 O ILE A 33 3.613 -7.308 2.359 1.00 0.00 O ATOM 465 CB ILE A 33 6.429 -6.648 1.026 1.00 0.00 C ATOM 466 CG1 ILE A 33 7.275 -7.586 0.153 1.00 0.00 C ATOM 467 CG2 ILE A 33 6.491 -7.031 2.496 1.00 0.00 C ATOM 468 CD1 ILE A 33 7.633 -8.902 0.808 1.00 0.00 C ATOM 0 H ILE A 33 4.591 -4.900 1.771 1.00 0.00 H new ATOM 0 HA ILE A 33 4.909 -6.779 -0.520 1.00 0.00 H new ATOM 0 HB ILE A 33 6.871 -5.657 0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.732 -7.790 -0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.195 -7.071 -0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.532 -7.094 2.812 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.977 -6.276 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.008 -7.998 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.230 -9.500 0.120 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.206 -8.713 1.716 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.721 -9.443 1.061 1.00 0.00 H new ATOM 480 N CYS A 34 3.886 -8.710 0.648 1.00 0.00 N ATOM 481 CA CYS A 34 3.109 -9.762 1.255 1.00 0.00 C ATOM 482 C CYS A 34 4.079 -10.736 1.890 1.00 0.00 C ATOM 483 O CYS A 34 4.775 -11.445 1.178 1.00 0.00 O ATOM 484 CB CYS A 34 2.310 -10.427 0.178 1.00 0.00 C ATOM 485 SG CYS A 34 0.987 -11.511 0.768 1.00 0.00 S ATOM 0 H CYS A 34 4.263 -8.940 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 34 2.427 -9.384 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.872 -9.657 -0.457 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.986 -11.010 -0.448 1.00 0.00 H new ATOM 490 N PRO A 35 4.154 -10.777 3.230 1.00 0.00 N ATOM 491 CA PRO A 35 5.101 -11.636 3.942 1.00 0.00 C ATOM 492 C PRO A 35 5.108 -13.083 3.488 1.00 0.00 C ATOM 493 O PRO A 35 6.040 -13.818 3.800 1.00 0.00 O ATOM 494 CB PRO A 35 4.676 -11.541 5.414 1.00 0.00 C ATOM 495 CG PRO A 35 3.392 -10.784 5.430 1.00 0.00 C ATOM 496 CD PRO A 35 3.333 -9.988 4.159 1.00 0.00 C ATOM 0 HA PRO A 35 6.119 -11.298 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.548 -12.533 5.847 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.436 -11.031 6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.544 -11.465 5.497 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.343 -10.127 6.298 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.310 -9.879 3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.732 -8.983 4.295 1.00 0.00 H new ATOM 504 N GLU A 36 4.103 -13.501 2.741 1.00 0.00 N ATOM 505 CA GLU A 36 4.068 -14.881 2.284 1.00 0.00 C ATOM 506 C GLU A 36 4.556 -15.025 0.860 1.00 0.00 C ATOM 507 O GLU A 36 5.520 -15.740 0.625 1.00 0.00 O ATOM 508 CB GLU A 36 2.690 -15.483 2.459 1.00 0.00 C ATOM 509 CG GLU A 36 2.311 -15.814 3.903 1.00 0.00 C ATOM 510 CD GLU A 36 3.505 -16.005 4.820 1.00 0.00 C ATOM 511 OE1 GLU A 36 4.209 -17.026 4.675 1.00 0.00 O ATOM 512 OE2 GLU A 36 3.733 -15.131 5.684 1.00 0.00 O ATOM 0 H GLU A 36 3.317 -12.923 2.443 1.00 0.00 H new ATOM 0 HA GLU A 36 4.760 -15.441 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.952 -14.790 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.630 -16.395 1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.686 -15.013 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.709 -16.722 3.912 1.00 0.00 H new ATOM 519 N CYS A 37 4.008 -14.281 -0.087 1.00 0.00 N ATOM 520 CA CYS A 37 4.563 -14.363 -1.427 1.00 0.00 C ATOM 521 C CYS A 37 5.572 -13.261 -1.526 1.00 0.00 C ATOM 522 O CYS A 37 6.511 -13.331 -2.291 1.00 0.00 O ATOM 523 CB CYS A 37 3.534 -14.309 -2.571 1.00 0.00 C ATOM 524 SG CYS A 37 2.269 -13.027 -2.441 1.00 0.00 S ATOM 0 H CYS A 37 3.220 -13.645 0.035 1.00 0.00 H new ATOM 0 HA CYS A 37 5.011 -15.347 -1.562 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.071 -14.168 -3.509 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.037 -15.277 -2.631 1.00 0.00 H new ATOM 529 N GLY A 38 5.338 -12.235 -0.722 1.00 0.00 N ATOM 530 CA GLY A 38 6.204 -11.090 -0.668 1.00 0.00 C ATOM 531 C GLY A 38 6.011 -10.183 -1.854 1.00 0.00 C ATOM 532 O GLY A 38 6.915 -9.454 -2.260 1.00 0.00 O ATOM 0 H GLY A 38 4.538 -12.183 -0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.013 -10.533 0.249 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.242 -11.421 -0.630 1.00 0.00 H new ATOM 536 N LEU A 39 4.812 -10.272 -2.417 1.00 0.00 N ATOM 537 CA LEU A 39 4.451 -9.492 -3.586 1.00 0.00 C ATOM 538 C LEU A 39 4.764 -8.020 -3.357 1.00 0.00 C ATOM 539 O LEU A 39 5.544 -7.682 -2.456 1.00 0.00 O ATOM 540 CB LEU A 39 2.989 -9.697 -3.979 1.00 0.00 C ATOM 541 CG LEU A 39 1.965 -8.955 -3.127 1.00 0.00 C ATOM 542 CD1 LEU A 39 1.322 -7.822 -3.910 1.00 0.00 C ATOM 543 CD2 LEU A 39 0.920 -9.932 -2.654 1.00 0.00 C ATOM 0 H LEU A 39 4.070 -10.883 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 39 5.053 -9.846 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.864 -9.387 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.766 -10.763 -3.936 1.00 0.00 H new ATOM 0 HG LEU A 39 2.469 -8.514 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.596 -7.310 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.090 -7.116 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.818 -8.227 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.183 -9.410 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.425 -10.381 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.395 -10.713 -2.060 1.00 0.00 H new ATOM 555 N VAL A 40 4.101 -7.149 -4.110 1.00 0.00 N ATOM 556 CA VAL A 40 4.290 -5.718 -3.963 1.00 0.00 C ATOM 557 C VAL A 40 3.070 -4.951 -4.457 1.00 0.00 C ATOM 558 O VAL A 40 2.584 -5.181 -5.564 1.00 0.00 O ATOM 559 CB VAL A 40 5.542 -5.250 -4.732 1.00 0.00 C ATOM 560 CG1 VAL A 40 5.616 -3.731 -4.803 1.00 0.00 C ATOM 561 CG2 VAL A 40 6.799 -5.816 -4.083 1.00 0.00 C ATOM 0 H VAL A 40 3.427 -7.414 -4.829 1.00 0.00 H new ATOM 0 HA VAL A 40 4.427 -5.512 -2.901 1.00 0.00 H new ATOM 0 HB VAL A 40 5.470 -5.625 -5.753 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.510 -3.436 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.733 -3.347 -5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.658 -3.321 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.677 -5.479 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.863 -5.470 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.757 -6.905 -4.098 1.00 0.00 H new ATOM 571 N VAL A 41 2.593 -4.028 -3.631 1.00 0.00 N ATOM 572 CA VAL A 41 1.441 -3.209 -3.977 1.00 0.00 C ATOM 573 C VAL A 41 1.620 -1.790 -3.446 1.00 0.00 C ATOM 574 O VAL A 41 2.268 -1.576 -2.423 1.00 0.00 O ATOM 575 CB VAL A 41 0.130 -3.799 -3.413 1.00 0.00 C ATOM 576 CG1 VAL A 41 -1.050 -2.893 -3.720 1.00 0.00 C ATOM 577 CG2 VAL A 41 -0.124 -5.194 -3.960 1.00 0.00 C ATOM 0 H VAL A 41 2.989 -3.828 -2.713 1.00 0.00 H new ATOM 0 HA VAL A 41 1.372 -3.192 -5.065 1.00 0.00 H new ATOM 0 HB VAL A 41 0.241 -3.870 -2.331 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.961 -3.331 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.884 -1.915 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.152 -2.782 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.054 -5.584 -3.545 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.201 -5.150 -5.046 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.701 -5.850 -3.681 1.00 0.00 H new ATOM 587 N GLY A 42 1.043 -0.826 -4.145 1.00 0.00 N ATOM 588 CA GLY A 42 1.156 0.552 -3.725 1.00 0.00 C ATOM 589 C GLY A 42 2.022 1.353 -4.671 1.00 0.00 C ATOM 590 O GLY A 42 2.847 0.792 -5.390 1.00 0.00 O ATOM 0 H GLY A 42 0.499 -0.974 -4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.163 0.999 -3.672 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.578 0.594 -2.721 1.00 0.00 H new ATOM 594 N ASP A 43 1.836 2.662 -4.675 1.00 0.00 N ATOM 595 CA ASP A 43 2.613 3.529 -5.550 1.00 0.00 C ATOM 596 C ASP A 43 3.154 4.742 -4.797 1.00 0.00 C ATOM 597 O ASP A 43 4.287 5.166 -5.024 1.00 0.00 O ATOM 598 CB ASP A 43 1.761 3.988 -6.737 1.00 0.00 C ATOM 599 CG ASP A 43 2.417 3.684 -8.070 1.00 0.00 C ATOM 600 OD1 ASP A 43 3.661 3.597 -8.112 1.00 0.00 O ATOM 601 OD2 ASP A 43 1.685 3.533 -9.070 1.00 0.00 O ATOM 0 H ASP A 43 1.159 3.147 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 43 3.462 2.953 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.788 3.498 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.582 5.060 -6.659 1.00 0.00 H new ATOM 606 N ARG A 44 2.339 5.301 -3.908 1.00 0.00 N ATOM 607 CA ARG A 44 2.743 6.469 -3.131 1.00 0.00 C ATOM 608 C ARG A 44 3.001 7.661 -4.047 1.00 0.00 C ATOM 609 O ARG A 44 4.079 8.256 -4.020 1.00 0.00 O ATOM 610 CB ARG A 44 3.996 6.157 -2.309 1.00 0.00 C ATOM 611 CG ARG A 44 3.700 5.516 -0.963 1.00 0.00 C ATOM 612 CD ARG A 44 3.305 4.057 -1.119 1.00 0.00 C ATOM 613 NE ARG A 44 2.732 3.510 0.109 1.00 0.00 N ATOM 614 CZ ARG A 44 1.542 3.861 0.592 1.00 0.00 C ATOM 615 NH1 ARG A 44 0.801 4.764 -0.041 1.00 0.00 N ATOM 616 NH2 ARG A 44 1.093 3.312 1.710 1.00 0.00 N ATOM 0 H ARG A 44 1.397 4.965 -3.708 1.00 0.00 H new ATOM 0 HA ARG A 44 1.931 6.723 -2.450 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.641 5.492 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.553 7.080 -2.147 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.578 5.590 -0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.897 6.061 -0.467 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.583 3.962 -1.930 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.181 3.473 -1.402 1.00 0.00 H new ATOM 0 HE ARG A 44 3.275 2.819 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.143 5.192 -0.901 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.110 5.029 0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.659 2.620 2.201 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.181 3.581 2.080 1.00 0.00 H new ATOM 630 N VAL A 45 2.006 8.005 -4.857 1.00 0.00 N ATOM 631 CA VAL A 45 2.130 9.132 -5.782 1.00 0.00 C ATOM 632 C VAL A 45 1.960 10.463 -5.052 1.00 0.00 C ATOM 633 O VAL A 45 0.961 11.160 -5.232 1.00 0.00 O ATOM 634 CB VAL A 45 1.115 9.058 -6.952 1.00 0.00 C ATOM 635 CG1 VAL A 45 1.780 8.493 -8.197 1.00 0.00 C ATOM 636 CG2 VAL A 45 -0.109 8.232 -6.579 1.00 0.00 C ATOM 0 H VAL A 45 1.107 7.524 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 45 3.134 9.069 -6.202 1.00 0.00 H new ATOM 0 HB VAL A 45 0.777 10.073 -7.163 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.054 8.448 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.611 9.135 -8.489 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.153 7.490 -7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.799 8.202 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.200 7.218 -6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.605 8.684 -5.721 1.00 0.00 H new ATOM 646 N ILE A 46 2.947 10.807 -4.229 1.00 0.00 N ATOM 647 CA ILE A 46 2.919 12.053 -3.470 1.00 0.00 C ATOM 648 C ILE A 46 4.331 12.600 -3.279 1.00 0.00 C ATOM 649 O ILE A 46 4.721 13.576 -3.919 1.00 0.00 O ATOM 650 CB ILE A 46 2.252 11.858 -2.090 1.00 0.00 C ATOM 651 CG1 ILE A 46 0.798 11.417 -2.262 1.00 0.00 C ATOM 652 CG2 ILE A 46 2.323 13.139 -1.268 1.00 0.00 C ATOM 653 CD1 ILE A 46 -0.077 12.468 -2.909 1.00 0.00 C ATOM 0 H ILE A 46 3.779 10.238 -4.071 1.00 0.00 H new ATOM 0 HA ILE A 46 2.329 12.768 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 46 2.795 11.079 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.770 10.510 -2.866 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.386 11.162 -1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.847 12.977 -0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.366 13.417 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.807 13.940 -1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.095 12.088 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.079 13.368 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.312 12.706 -3.899 1.00 0.00 H new ATOM 665 N ASP A 47 5.093 11.961 -2.397 1.00 0.00 N ATOM 666 CA ASP A 47 6.466 12.378 -2.123 1.00 0.00 C ATOM 667 C ASP A 47 6.531 13.855 -1.745 1.00 0.00 C ATOM 668 O ASP A 47 5.524 14.562 -1.783 1.00 0.00 O ATOM 669 CB ASP A 47 7.353 12.119 -3.342 1.00 0.00 C ATOM 670 CG ASP A 47 7.125 10.746 -3.945 1.00 0.00 C ATOM 671 OD1 ASP A 47 7.055 9.764 -3.175 1.00 0.00 O ATOM 672 OD2 ASP A 47 7.018 10.651 -5.186 1.00 0.00 O ATOM 0 H ASP A 47 4.784 11.152 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 47 6.829 11.791 -1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.159 12.881 -4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.400 12.216 -3.053 1.00 0.00 H new ATOM 677 N VAL A 48 7.724 14.311 -1.384 1.00 0.00 N ATOM 678 CA VAL A 48 7.931 15.703 -1.002 1.00 0.00 C ATOM 679 C VAL A 48 9.388 16.109 -1.208 1.00 0.00 C ATOM 680 O VAL A 48 10.304 15.338 -0.919 1.00 0.00 O ATOM 681 CB VAL A 48 7.532 15.950 0.469 1.00 0.00 C ATOM 682 CG1 VAL A 48 7.933 17.350 0.916 1.00 0.00 C ATOM 683 CG2 VAL A 48 6.036 15.740 0.656 1.00 0.00 C ATOM 0 H VAL A 48 8.565 13.736 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 48 7.293 16.312 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 48 8.066 15.231 1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.640 17.498 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.013 17.466 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.433 18.089 0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.771 15.918 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.489 16.435 0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.776 14.717 0.385 1.00 0.00 H new ATOM 693 N GLY A 49 9.593 17.321 -1.708 1.00 0.00 N ATOM 694 CA GLY A 49 10.939 17.808 -1.941 1.00 0.00 C ATOM 695 C GLY A 49 11.036 19.318 -1.843 1.00 0.00 C ATOM 696 O GLY A 49 11.379 19.857 -0.791 1.00 0.00 O ATOM 0 H GLY A 49 8.851 17.976 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.616 17.356 -1.216 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.271 17.489 -2.929 1.00 0.00 H new ATOM 700 N SER A 50 10.732 20.001 -2.941 1.00 0.00 N ATOM 701 CA SER A 50 10.786 21.457 -2.975 1.00 0.00 C ATOM 702 C SER A 50 9.607 22.064 -2.223 1.00 0.00 C ATOM 703 O SER A 50 8.462 21.980 -2.669 1.00 0.00 O ATOM 704 CB SER A 50 10.791 21.954 -4.421 1.00 0.00 C ATOM 705 OG SER A 50 11.526 23.160 -4.544 1.00 0.00 O ATOM 0 H SER A 50 10.446 19.569 -3.820 1.00 0.00 H new ATOM 0 HA SER A 50 11.707 21.772 -2.485 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.225 21.192 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.767 22.113 -4.758 1.00 0.00 H new ATOM 0 HG SER A 50 11.515 23.456 -5.478 1.00 0.00 H new ATOM 711 N GLU A 51 9.893 22.677 -1.077 1.00 0.00 N ATOM 712 CA GLU A 51 8.855 23.298 -0.263 1.00 0.00 C ATOM 713 C GLU A 51 9.469 24.096 0.882 1.00 0.00 C ATOM 714 O GLU A 51 8.924 24.132 1.985 1.00 0.00 O ATOM 715 CB GLU A 51 7.908 22.233 0.290 1.00 0.00 C ATOM 716 CG GLU A 51 6.473 22.714 0.437 1.00 0.00 C ATOM 717 CD GLU A 51 6.257 23.531 1.697 1.00 0.00 C ATOM 718 OE1 GLU A 51 6.773 23.127 2.761 1.00 0.00 O ATOM 719 OE2 GLU A 51 5.574 24.573 1.619 1.00 0.00 O ATOM 0 H GLU A 51 10.834 22.756 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 51 8.290 23.982 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.926 21.365 -0.369 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.273 21.903 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.205 23.315 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.805 21.853 0.448 1.00 0.00 H new ATOM 726 N TRP A 52 10.604 24.734 0.611 1.00 0.00 N ATOM 727 CA TRP A 52 11.299 25.535 1.615 1.00 0.00 C ATOM 728 C TRP A 52 11.818 24.660 2.752 1.00 0.00 C ATOM 729 O TRP A 52 13.019 24.413 2.859 1.00 0.00 O ATOM 730 CB TRP A 52 10.374 26.622 2.169 1.00 0.00 C ATOM 731 CG TRP A 52 9.881 27.573 1.123 1.00 0.00 C ATOM 732 CD1 TRP A 52 10.635 28.245 0.203 1.00 0.00 C ATOM 733 CD2 TRP A 52 8.521 27.959 0.886 1.00 0.00 C ATOM 734 NE1 TRP A 52 9.829 29.025 -0.589 1.00 0.00 N ATOM 735 CE2 TRP A 52 8.527 28.867 -0.191 1.00 0.00 C ATOM 736 CE3 TRP A 52 7.302 27.626 1.479 1.00 0.00 C ATOM 737 CZ2 TRP A 52 7.360 29.443 -0.685 1.00 0.00 C ATOM 738 CZ3 TRP A 52 6.143 28.199 0.987 1.00 0.00 C ATOM 739 CH2 TRP A 52 6.180 29.099 -0.085 1.00 0.00 C ATOM 0 H TRP A 52 11.064 24.712 -0.299 1.00 0.00 H new ATOM 0 HA TRP A 52 12.152 26.010 1.131 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.519 26.149 2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.905 27.183 2.938 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.709 28.173 0.112 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.148 29.625 -1.350 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.264 26.934 2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.385 30.137 -1.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.194 27.948 1.437 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.258 29.530 -0.445 1.00 0.00 H new ATOM 750 N ARG A 53 10.907 24.192 3.600 1.00 0.00 N ATOM 751 CA ARG A 53 11.274 23.346 4.729 1.00 0.00 C ATOM 752 C ARG A 53 12.195 24.092 5.690 1.00 0.00 C ATOM 753 O ARG A 53 13.417 24.053 5.553 1.00 0.00 O ATOM 754 CB ARG A 53 11.960 22.069 4.234 1.00 0.00 C ATOM 755 CG ARG A 53 11.836 20.899 5.195 1.00 0.00 C ATOM 756 CD ARG A 53 13.081 20.751 6.056 1.00 0.00 C ATOM 757 NE ARG A 53 13.347 19.356 6.399 1.00 0.00 N ATOM 758 CZ ARG A 53 14.494 18.927 6.918 1.00 0.00 C ATOM 759 NH1 ARG A 53 15.483 19.779 7.154 1.00 0.00 N ATOM 760 NH2 ARG A 53 14.653 17.641 7.202 1.00 0.00 N ATOM 0 H ARG A 53 9.908 24.385 3.526 1.00 0.00 H new ATOM 0 HA ARG A 53 10.362 23.077 5.262 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.531 21.786 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.016 22.277 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.965 21.043 5.834 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.670 19.980 4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.939 21.164 5.526 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.961 21.332 6.970 1.00 0.00 H new ATOM 0 HE ARG A 53 12.610 18.671 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.366 20.769 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.360 19.444 7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.896 16.982 7.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.532 17.312 7.600 1.00 0.00 H new ATOM 774 N THR A 54 11.596 24.772 6.663 1.00 0.00 N ATOM 775 CA THR A 54 12.359 25.530 7.649 1.00 0.00 C ATOM 776 C THR A 54 11.598 25.625 8.970 1.00 0.00 C ATOM 777 O THR A 54 10.645 24.883 9.200 1.00 0.00 O ATOM 778 CB THR A 54 12.667 26.932 7.116 1.00 0.00 C ATOM 779 OG1 THR A 54 12.522 26.977 5.708 1.00 0.00 O ATOM 780 CG2 THR A 54 14.066 27.404 7.449 1.00 0.00 C ATOM 0 H THR A 54 10.585 24.814 6.790 1.00 0.00 H new ATOM 0 HA THR A 54 13.297 25.006 7.831 1.00 0.00 H new ATOM 0 HB THR A 54 11.951 27.591 7.607 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.722 27.881 5.387 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.219 28.404 7.043 1.00 0.00 H new ATOM 0 HG22 THR A 54 14.194 27.429 8.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 14.794 26.720 7.013 1.00 0.00 H new ATOM 788 N PHE A 55 12.024 26.546 9.830 1.00 0.00 N ATOM 789 CA PHE A 55 11.378 26.737 11.125 1.00 0.00 C ATOM 790 C PHE A 55 10.690 28.097 11.193 1.00 0.00 C ATOM 791 O PHE A 55 11.116 28.985 11.931 1.00 0.00 O ATOM 792 CB PHE A 55 12.399 26.601 12.260 1.00 0.00 C ATOM 793 CG PHE A 55 13.493 27.634 12.225 1.00 0.00 C ATOM 794 CD1 PHE A 55 14.503 27.563 11.278 1.00 0.00 C ATOM 795 CD2 PHE A 55 13.511 28.673 13.143 1.00 0.00 C ATOM 796 CE1 PHE A 55 15.509 28.510 11.247 1.00 0.00 C ATOM 797 CE2 PHE A 55 14.514 29.621 13.116 1.00 0.00 C ATOM 798 CZ PHE A 55 15.514 29.540 12.168 1.00 0.00 C ATOM 0 H PHE A 55 12.811 27.170 9.654 1.00 0.00 H new ATOM 0 HA PHE A 55 10.620 25.963 11.243 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.877 26.671 13.215 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.848 25.609 12.214 1.00 0.00 H new ATOM 0 HD1 PHE A 55 14.504 26.759 10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.732 28.741 13.887 1.00 0.00 H new ATOM 0 HE1 PHE A 55 16.290 28.445 10.504 1.00 0.00 H new ATOM 0 HE2 PHE A 55 14.516 30.426 13.836 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.299 30.281 12.146 1.00 0.00 H new ATOM 808 N SER A 56 9.623 28.252 10.416 1.00 0.00 N ATOM 809 CA SER A 56 8.875 29.502 10.386 1.00 0.00 C ATOM 810 C SER A 56 9.752 30.650 9.894 1.00 0.00 C ATOM 811 O SER A 56 10.918 30.450 9.552 1.00 0.00 O ATOM 812 CB SER A 56 8.323 29.826 11.776 1.00 0.00 C ATOM 813 OG SER A 56 6.985 29.378 11.911 1.00 0.00 O ATOM 0 H SER A 56 9.257 27.527 9.799 1.00 0.00 H new ATOM 0 HA SER A 56 8.043 29.381 9.692 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.946 29.355 12.537 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.369 30.902 11.947 1.00 0.00 H new ATOM 0 HG SER A 56 6.656 29.595 12.808 1.00 0.00 H new ATOM 819 N ASN A 57 9.183 31.851 9.861 1.00 0.00 N ATOM 820 CA ASN A 57 9.913 33.030 9.410 1.00 0.00 C ATOM 821 C ASN A 57 10.387 33.862 10.595 1.00 0.00 C ATOM 822 O ASN A 57 9.807 33.804 11.679 1.00 0.00 O ATOM 823 CB ASN A 57 9.032 33.881 8.494 1.00 0.00 C ATOM 824 CG ASN A 57 9.800 34.449 7.317 1.00 0.00 C ATOM 825 OD1 ASN A 57 10.481 33.721 6.595 1.00 0.00 O ATOM 826 ND2 ASN A 57 9.697 35.759 7.119 1.00 0.00 N ATOM 0 H ASN A 57 8.219 32.033 10.141 1.00 0.00 H new ATOM 0 HA ASN A 57 10.787 32.694 8.852 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.204 33.275 8.126 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.598 34.699 9.069 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.194 36.198 6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.121 36.325 7.742 1.00 0.00 H new ATOM 833 N ASP A 58 11.447 34.638 10.382 1.00 0.00 N ATOM 834 CA ASP A 58 11.999 35.482 11.435 1.00 0.00 C ATOM 835 C ASP A 58 11.224 36.791 11.544 1.00 0.00 C ATOM 836 O ASP A 58 10.982 37.292 12.643 1.00 0.00 O ATOM 837 CB ASP A 58 13.476 35.771 11.162 1.00 0.00 C ATOM 838 CG ASP A 58 14.242 36.105 12.427 1.00 0.00 C ATOM 839 OD1 ASP A 58 14.577 35.170 13.183 1.00 0.00 O ATOM 840 OD2 ASP A 58 14.508 37.304 12.661 1.00 0.00 O ATOM 0 H ASP A 58 11.939 34.699 9.491 1.00 0.00 H new ATOM 0 HA ASP A 58 11.909 34.948 12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 58 13.931 34.904 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.558 36.602 10.461 1.00 0.00 H new ATOM 845 N LYS A 59 10.837 37.341 10.398 1.00 0.00 N ATOM 846 CA LYS A 59 10.090 38.594 10.365 1.00 0.00 C ATOM 847 C LYS A 59 8.592 38.335 10.507 1.00 0.00 C ATOM 848 O LYS A 59 8.019 37.530 9.775 1.00 0.00 O ATOM 849 CB LYS A 59 10.369 39.345 9.063 1.00 0.00 C ATOM 850 CG LYS A 59 11.477 40.379 9.184 1.00 0.00 C ATOM 851 CD LYS A 59 12.724 39.957 8.419 1.00 0.00 C ATOM 852 CE LYS A 59 13.342 38.698 9.007 1.00 0.00 C ATOM 853 NZ LYS A 59 13.209 37.534 8.088 1.00 0.00 N ATOM 0 H LYS A 59 11.028 36.939 9.480 1.00 0.00 H new ATOM 0 HA LYS A 59 10.417 39.207 11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.637 38.626 8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.455 39.840 8.736 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.124 41.338 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.726 40.525 10.235 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.469 39.784 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.455 40.765 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.397 38.875 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.861 38.467 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.771 36.739 8.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.613 37.798 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.150 37.251 7.747 1.00 0.00 H new TER 867 LYS A 59 HETATM 868 ZN ZN A 61 1.117 -13.445 -0.502 1.00 0.00 ZN