USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 399 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 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 8 SER OG : rot -32:sc= -2 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.29 USER MOD Single : A 23 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.31) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 0.099 (180deg=0) USER MOD Single : A 32 TYR OH : rot -45:sc= 0.02 USER MOD Single : A 38 ASN : amide:sc= -0.298 K(o=-0.3,f=-12!) USER MOD Single : A 40 ASN : amide:sc= -0.773 K(o=-0.77,f=-4.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.0687 (180deg=-0.0687) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 8.456 10.306 3.867 1.00 0.00 N ATOM 23 CA ASP A 2 9.232 9.342 3.093 1.00 0.00 C ATOM 24 C ASP A 2 8.400 8.104 2.774 1.00 0.00 C ATOM 25 O ASP A 2 8.620 7.442 1.759 1.00 0.00 O ATOM 26 CB ASP A 2 10.493 8.940 3.860 1.00 0.00 C ATOM 27 CG ASP A 2 10.189 8.483 5.273 1.00 0.00 C ATOM 28 OD1 ASP A 2 10.138 9.344 6.177 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.003 7.265 5.477 1.00 0.00 O ATOM 0 HA ASP A 2 9.521 9.815 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.001 8.139 3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.179 9.786 3.894 1.00 0.00 H new ATOM 34 N THR A 3 7.445 7.795 3.646 1.00 0.00 N ATOM 35 CA THR A 3 6.579 6.635 3.458 1.00 0.00 C ATOM 36 C THR A 3 5.838 6.717 2.127 1.00 0.00 C ATOM 37 O THR A 3 5.851 5.773 1.338 1.00 0.00 O ATOM 38 CB THR A 3 5.576 6.532 4.608 1.00 0.00 C ATOM 39 OG1 THR A 3 6.129 7.053 5.804 1.00 0.00 O ATOM 40 CG2 THR A 3 5.129 5.113 4.888 1.00 0.00 C ATOM 0 H THR A 3 7.251 8.332 4.491 1.00 0.00 H new ATOM 0 HA THR A 3 7.205 5.743 3.449 1.00 0.00 H new ATOM 0 HB THR A 3 4.710 7.111 4.288 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.472 6.980 6.527 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.419 5.112 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.652 4.700 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.994 4.504 5.152 1.00 0.00 H new ATOM 48 N CYS A 4 5.191 7.852 1.887 1.00 0.00 N ATOM 49 CA CYS A 4 4.443 8.060 0.652 1.00 0.00 C ATOM 50 C CYS A 4 5.379 8.187 -0.551 1.00 0.00 C ATOM 51 O CYS A 4 4.934 8.148 -1.697 1.00 0.00 O ATOM 52 CB CYS A 4 3.566 9.310 0.770 1.00 0.00 C ATOM 53 SG CYS A 4 1.790 8.999 0.505 1.00 0.00 S ATOM 0 H CYS A 4 5.169 8.642 2.531 1.00 0.00 H new ATOM 0 HA CYS A 4 3.807 7.189 0.494 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.704 9.746 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.907 10.050 0.046 1.00 0.00 H new ATOM 58 N ARG A 5 6.674 8.340 -0.286 1.00 0.00 N ATOM 59 CA ARG A 5 7.661 8.473 -1.351 1.00 0.00 C ATOM 60 C ARG A 5 8.201 7.110 -1.771 1.00 0.00 C ATOM 61 O ARG A 5 8.579 6.912 -2.926 1.00 0.00 O ATOM 62 CB ARG A 5 8.812 9.373 -0.899 1.00 0.00 C ATOM 63 CG ARG A 5 8.545 10.855 -1.111 1.00 0.00 C ATOM 64 CD ARG A 5 9.745 11.698 -0.711 1.00 0.00 C ATOM 65 NE ARG A 5 9.863 11.831 0.739 1.00 0.00 N ATOM 66 CZ ARG A 5 10.979 12.208 1.360 1.00 0.00 C ATOM 67 NH1 ARG A 5 12.073 12.486 0.663 1.00 0.00 N ATOM 68 NH2 ARG A 5 11.000 12.305 2.683 1.00 0.00 N ATOM 0 H ARG A 5 7.063 8.375 0.656 1.00 0.00 H new ATOM 0 HA ARG A 5 7.169 8.927 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.008 9.195 0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.715 9.094 -1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.304 11.037 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.676 11.157 -0.527 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.654 11.246 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.658 12.688 -1.160 1.00 0.00 H new ATOM 0 HE ARG A 5 9.043 11.623 1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 5 12.062 12.411 -0.354 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.925 12.774 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.162 12.091 3.223 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.854 12.594 3.160 1.00 0.00 H new ATOM 82 N LEU A 6 8.237 6.172 -0.828 1.00 0.00 N ATOM 83 CA LEU A 6 8.733 4.830 -1.107 1.00 0.00 C ATOM 84 C LEU A 6 7.585 3.888 -1.468 1.00 0.00 C ATOM 85 O LEU A 6 6.592 3.806 -0.745 1.00 0.00 O ATOM 86 CB LEU A 6 9.496 4.283 0.103 1.00 0.00 C ATOM 87 CG LEU A 6 8.635 3.984 1.331 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.137 2.547 1.296 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.419 4.247 2.608 1.00 0.00 C ATOM 0 H LEU A 6 7.929 6.317 0.133 1.00 0.00 H new ATOM 0 HA LEU A 6 9.411 4.890 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.009 3.368 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.265 5.003 0.384 1.00 0.00 H new ATOM 0 HG LEU A 6 7.770 4.647 1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.526 2.352 2.177 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.539 2.391 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.989 1.867 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.791 4.029 3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.302 3.608 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.726 5.292 2.637 1.00 0.00 H new ATOM 101 N PRO A 7 7.701 3.162 -2.595 1.00 0.00 N ATOM 102 CA PRO A 7 6.662 2.229 -3.041 1.00 0.00 C ATOM 103 C PRO A 7 6.673 0.925 -2.250 1.00 0.00 C ATOM 104 O PRO A 7 7.658 0.594 -1.592 1.00 0.00 O ATOM 105 CB PRO A 7 7.033 1.973 -4.501 1.00 0.00 C ATOM 106 CG PRO A 7 8.513 2.138 -4.545 1.00 0.00 C ATOM 107 CD PRO A 7 8.848 3.195 -3.526 1.00 0.00 C ATOM 0 HA PRO A 7 5.659 2.633 -2.902 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.736 0.973 -4.816 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.535 2.678 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.016 1.200 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.842 2.438 -5.540 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.785 2.975 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.960 4.176 -3.989 1.00 0.00 H new ATOM 115 N SER A 8 5.568 0.187 -2.321 1.00 0.00 N ATOM 116 CA SER A 8 5.450 -1.082 -1.613 1.00 0.00 C ATOM 117 C SER A 8 5.795 -2.251 -2.530 1.00 0.00 C ATOM 118 O SER A 8 5.979 -2.074 -3.735 1.00 0.00 O ATOM 119 CB SER A 8 4.034 -1.251 -1.057 1.00 0.00 C ATOM 120 OG SER A 8 4.003 -1.022 0.341 1.00 0.00 O ATOM 0 H SER A 8 4.743 0.447 -2.862 1.00 0.00 H new ATOM 0 HA SER A 8 6.158 -1.075 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.359 -0.557 -1.557 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.674 -2.257 -1.272 1.00 0.00 H new ATOM 0 HG SER A 8 4.854 -1.304 0.738 1.00 0.00 H new ATOM 126 N ASP A 9 5.882 -3.445 -1.953 1.00 0.00 N ATOM 127 CA ASP A 9 6.207 -4.642 -2.720 1.00 0.00 C ATOM 128 C ASP A 9 5.614 -5.887 -2.066 1.00 0.00 C ATOM 129 O ASP A 9 5.720 -6.075 -0.854 1.00 0.00 O ATOM 130 CB ASP A 9 7.724 -4.795 -2.850 1.00 0.00 C ATOM 131 CG ASP A 9 8.297 -3.947 -3.968 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.550 -3.630 -4.917 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.495 -3.601 -3.895 1.00 0.00 O ATOM 0 H ASP A 9 5.732 -3.609 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 9 5.773 -4.534 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.196 -4.517 -1.908 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.967 -5.842 -3.031 1.00 0.00 H new ATOM 138 N ARG A 10 4.989 -6.734 -2.878 1.00 0.00 N ATOM 139 CA ARG A 10 4.379 -7.963 -2.381 1.00 0.00 C ATOM 140 C ARG A 10 5.368 -9.129 -2.407 1.00 0.00 C ATOM 141 O ARG A 10 5.027 -10.247 -2.023 1.00 0.00 O ATOM 142 CB ARG A 10 3.142 -8.312 -3.210 1.00 0.00 C ATOM 143 CG ARG A 10 3.406 -8.366 -4.708 1.00 0.00 C ATOM 144 CD ARG A 10 2.530 -7.380 -5.463 1.00 0.00 C ATOM 145 NE ARG A 10 1.387 -8.036 -6.094 1.00 0.00 N ATOM 146 CZ ARG A 10 1.164 -8.049 -7.411 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.994 -7.429 -8.243 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.106 -8.682 -7.902 1.00 0.00 N ATOM 0 H ARG A 10 4.892 -6.592 -3.883 1.00 0.00 H new ATOM 0 HA ARG A 10 4.084 -7.792 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.757 -9.278 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.364 -7.575 -3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.456 -8.145 -4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.220 -9.375 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.174 -6.612 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.125 -6.876 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 10 0.717 -8.514 -5.491 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.810 -6.938 -7.878 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.815 -7.444 -9.247 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.539 -9.160 -7.273 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.062 -8.690 -8.908 1.00 0.00 H new ATOM 162 N GLY A 11 6.594 -8.861 -2.859 1.00 0.00 N ATOM 163 CA GLY A 11 7.612 -9.895 -2.924 1.00 0.00 C ATOM 164 C GLY A 11 7.111 -11.177 -3.563 1.00 0.00 C ATOM 165 O GLY A 11 6.125 -11.169 -4.300 1.00 0.00 O ATOM 0 H GLY A 11 6.899 -7.943 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.466 -9.522 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.967 -10.112 -1.917 1.00 0.00 H new ATOM 169 N ARG A 12 7.793 -12.282 -3.278 1.00 0.00 N ATOM 170 CA ARG A 12 7.416 -13.579 -3.828 1.00 0.00 C ATOM 171 C ARG A 12 6.491 -14.327 -2.872 1.00 0.00 C ATOM 172 O ARG A 12 5.437 -14.826 -3.281 1.00 0.00 O ATOM 173 CB ARG A 12 8.666 -14.417 -4.113 1.00 0.00 C ATOM 174 CG ARG A 12 8.700 -15.001 -5.516 1.00 0.00 C ATOM 175 CD ARG A 12 8.012 -16.355 -5.571 1.00 0.00 C ATOM 176 NE ARG A 12 8.386 -17.112 -6.764 1.00 0.00 N ATOM 177 CZ ARG A 12 8.050 -18.383 -6.970 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.335 -19.042 -6.066 1.00 0.00 N ATOM 179 NH2 ARG A 12 8.429 -18.997 -8.083 1.00 0.00 N ATOM 0 H ARG A 12 8.611 -12.305 -2.669 1.00 0.00 H new ATOM 0 HA ARG A 12 6.881 -13.410 -4.762 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.550 -13.797 -3.965 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.721 -15.230 -3.389 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.212 -14.315 -6.209 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.734 -15.103 -5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.271 -16.929 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.931 -16.213 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 12 8.937 -16.639 -7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.041 -18.574 -5.209 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.080 -20.016 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.978 -18.495 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.172 -19.971 -8.241 1.00 0.00 H new ATOM 193 N CYS A 13 6.900 -14.393 -1.597 1.00 0.00 N ATOM 194 CA CYS A 13 6.130 -15.076 -0.545 1.00 0.00 C ATOM 195 C CYS A 13 4.703 -15.358 -0.999 1.00 0.00 C ATOM 196 O CYS A 13 4.017 -14.453 -1.464 1.00 0.00 O ATOM 197 CB CYS A 13 6.101 -14.232 0.733 1.00 0.00 C ATOM 198 SG CYS A 13 7.700 -13.478 1.180 1.00 0.00 S ATOM 0 H CYS A 13 7.770 -13.977 -1.266 1.00 0.00 H new ATOM 0 HA CYS A 13 6.625 -16.026 -0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.362 -13.440 0.613 1.00 0.00 H new ATOM 0 HB3 CYS A 13 5.766 -14.859 1.559 1.00 0.00 H new ATOM 203 N LYS A 14 4.279 -16.621 -0.874 1.00 0.00 N ATOM 204 CA LYS A 14 2.938 -17.051 -1.290 1.00 0.00 C ATOM 205 C LYS A 14 1.912 -15.925 -1.187 1.00 0.00 C ATOM 206 O LYS A 14 1.083 -15.900 -0.277 1.00 0.00 O ATOM 207 CB LYS A 14 2.482 -18.244 -0.447 1.00 0.00 C ATOM 208 CG LYS A 14 3.438 -19.426 -0.494 1.00 0.00 C ATOM 209 CD LYS A 14 3.746 -19.841 -1.925 1.00 0.00 C ATOM 210 CE LYS A 14 3.937 -21.343 -2.041 1.00 0.00 C ATOM 211 NZ LYS A 14 4.345 -21.748 -3.415 1.00 0.00 N ATOM 0 H LYS A 14 4.851 -17.370 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 14 3.004 -17.343 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.366 -17.923 0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.500 -18.568 -0.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.365 -19.166 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.003 -20.268 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.933 -19.525 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.647 -19.331 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.694 -21.669 -1.327 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.009 -21.848 -1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.465 -22.780 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.612 -21.460 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.244 -21.286 -3.660 1.00 0.00 H new ATOM 225 N ALA A 15 1.989 -14.989 -2.129 1.00 0.00 N ATOM 226 CA ALA A 15 1.084 -13.848 -2.154 1.00 0.00 C ATOM 227 C ALA A 15 -0.359 -14.280 -2.385 1.00 0.00 C ATOM 228 O ALA A 15 -0.667 -14.955 -3.368 1.00 0.00 O ATOM 229 CB ALA A 15 1.519 -12.858 -3.223 1.00 0.00 C ATOM 0 H ALA A 15 2.672 -15.000 -2.887 1.00 0.00 H new ATOM 0 HA ALA A 15 1.130 -13.364 -1.179 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.835 -12.009 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.528 -12.508 -3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.506 -13.346 -4.198 1.00 0.00 H new ATOM 235 N SER A 16 -1.241 -13.883 -1.472 1.00 0.00 N ATOM 236 CA SER A 16 -2.656 -14.224 -1.574 1.00 0.00 C ATOM 237 C SER A 16 -3.514 -13.275 -0.739 1.00 0.00 C ATOM 238 O SER A 16 -4.609 -13.634 -0.306 1.00 0.00 O ATOM 239 CB SER A 16 -2.887 -15.668 -1.123 1.00 0.00 C ATOM 240 OG SER A 16 -2.700 -15.802 0.275 1.00 0.00 O ATOM 0 H SER A 16 -1.000 -13.325 -0.653 1.00 0.00 H new ATOM 0 HA SER A 16 -2.951 -14.122 -2.618 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.897 -15.978 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.201 -16.331 -1.650 1.00 0.00 H new ATOM 0 HG SER A 16 -2.855 -16.733 0.538 1.00 0.00 H new ATOM 246 N PHE A 17 -3.012 -12.062 -0.517 1.00 0.00 N ATOM 247 CA PHE A 17 -3.738 -11.065 0.264 1.00 0.00 C ATOM 248 C PHE A 17 -3.697 -9.705 -0.424 1.00 0.00 C ATOM 249 O PHE A 17 -2.686 -9.006 -0.375 1.00 0.00 O ATOM 250 CB PHE A 17 -3.146 -10.958 1.670 1.00 0.00 C ATOM 251 CG PHE A 17 -3.358 -12.188 2.507 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.636 -12.580 2.874 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.280 -12.951 2.926 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.833 -13.711 3.644 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.472 -14.083 3.695 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.751 -14.463 4.054 1.00 0.00 C ATOM 0 H PHE A 17 -2.107 -11.747 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.778 -11.383 0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.077 -10.762 1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.590 -10.102 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.487 -11.996 2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.278 -12.658 2.648 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.833 -14.006 3.925 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.624 -14.670 4.015 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.904 -15.347 4.655 1.00 0.00 H new ATOM 266 N GLU A 18 -4.800 -9.337 -1.066 1.00 0.00 N ATOM 267 CA GLU A 18 -4.886 -8.063 -1.770 1.00 0.00 C ATOM 268 C GLU A 18 -4.914 -6.892 -0.792 1.00 0.00 C ATOM 269 O GLU A 18 -5.521 -6.976 0.276 1.00 0.00 O ATOM 270 CB GLU A 18 -6.130 -8.031 -2.658 1.00 0.00 C ATOM 271 CG GLU A 18 -7.427 -8.251 -1.895 1.00 0.00 C ATOM 272 CD GLU A 18 -8.433 -9.069 -2.681 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.790 -8.653 -3.804 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.866 -10.125 -2.174 1.00 0.00 O ATOM 0 H GLU A 18 -5.647 -9.903 -1.113 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.998 -7.965 -2.394 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.177 -7.069 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.037 -8.797 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.210 -8.756 -0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.866 -7.285 -1.645 1.00 0.00 H new ATOM 281 N ARG A 19 -4.254 -5.800 -1.166 1.00 0.00 N ATOM 282 CA ARG A 19 -4.202 -4.608 -0.326 1.00 0.00 C ATOM 283 C ARG A 19 -4.018 -3.349 -1.172 1.00 0.00 C ATOM 284 O ARG A 19 -3.838 -3.428 -2.387 1.00 0.00 O ATOM 285 CB ARG A 19 -3.064 -4.726 0.690 1.00 0.00 C ATOM 286 CG ARG A 19 -3.222 -5.898 1.646 1.00 0.00 C ATOM 287 CD ARG A 19 -2.479 -5.661 2.952 1.00 0.00 C ATOM 288 NE ARG A 19 -3.295 -6.005 4.114 1.00 0.00 N ATOM 289 CZ ARG A 19 -2.797 -6.242 5.327 1.00 0.00 C ATOM 290 NH1 ARG A 19 -1.489 -6.172 5.540 1.00 0.00 N ATOM 291 NH2 ARG A 19 -3.611 -6.547 6.328 1.00 0.00 N ATOM 0 H ARG A 19 -3.747 -5.716 -2.047 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.150 -4.528 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.120 -4.829 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.005 -3.803 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.280 -6.059 1.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.848 -6.806 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.565 -6.254 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.181 -4.615 3.015 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.305 -6.067 3.989 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.859 -5.936 4.773 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.113 -6.354 6.471 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.617 -6.600 6.169 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.231 -6.729 7.257 1.00 0.00 H new ATOM 305 N TRP A 20 -4.067 -2.190 -0.519 1.00 0.00 N ATOM 306 CA TRP A 20 -3.909 -0.913 -1.211 1.00 0.00 C ATOM 307 C TRP A 20 -2.547 -0.291 -0.907 1.00 0.00 C ATOM 308 O TRP A 20 -1.978 -0.510 0.160 1.00 0.00 O ATOM 309 CB TRP A 20 -5.022 0.054 -0.804 1.00 0.00 C ATOM 310 CG TRP A 20 -6.392 -0.424 -1.177 1.00 0.00 C ATOM 311 CD1 TRP A 20 -7.211 -1.227 -0.436 1.00 0.00 C ATOM 312 CD2 TRP A 20 -7.102 -0.132 -2.385 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.386 -1.450 -1.109 1.00 0.00 N ATOM 314 CE2 TRP A 20 -8.344 -0.790 -2.307 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.810 0.623 -3.525 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -9.290 -0.716 -3.324 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.752 0.695 -4.534 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.979 0.030 -4.428 1.00 0.00 C ATOM 0 H TRP A 20 -4.215 -2.109 0.487 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.973 -1.102 -2.283 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.981 0.210 0.274 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.842 1.021 -1.274 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.969 -1.628 0.537 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -9.164 -2.016 -0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.866 1.140 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -10.237 -1.229 -3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.537 1.275 -5.420 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.694 0.107 -5.233 1.00 0.00 H new ATOM 329 N TYR A 21 -2.031 0.482 -1.858 1.00 0.00 N ATOM 330 CA TYR A 21 -0.733 1.134 -1.700 1.00 0.00 C ATOM 331 C TYR A 21 -0.738 2.500 -2.378 1.00 0.00 C ATOM 332 O TYR A 21 -1.463 2.716 -3.349 1.00 0.00 O ATOM 333 CB TYR A 21 0.383 0.262 -2.291 1.00 0.00 C ATOM 334 CG TYR A 21 -0.016 -0.424 -3.577 1.00 0.00 C ATOM 335 CD1 TYR A 21 -1.032 -1.365 -3.585 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.604 -0.118 -4.783 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.424 -1.983 -4.748 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.212 -0.731 -5.960 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.805 -1.664 -5.935 1.00 0.00 C ATOM 340 OH TYR A 21 -1.218 -2.268 -7.102 1.00 0.00 O ATOM 0 H TYR A 21 -2.492 0.673 -2.748 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.546 1.269 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.261 0.882 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.672 -0.492 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.526 -1.618 -2.659 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.403 0.608 -4.802 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.216 -2.717 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.698 -0.481 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.681 -1.934 -7.851 1.00 0.00 H new ATOM 350 N PHE A 22 0.068 3.420 -1.861 1.00 0.00 N ATOM 351 CA PHE A 22 0.145 4.763 -2.423 1.00 0.00 C ATOM 352 C PHE A 22 1.093 4.806 -3.616 1.00 0.00 C ATOM 353 O PHE A 22 2.291 4.549 -3.482 1.00 0.00 O ATOM 354 CB PHE A 22 0.595 5.764 -1.357 1.00 0.00 C ATOM 355 CG PHE A 22 -0.238 7.012 -1.325 1.00 0.00 C ATOM 356 CD1 PHE A 22 -0.196 7.914 -2.376 1.00 0.00 C ATOM 357 CD2 PHE A 22 -1.064 7.281 -0.247 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.963 9.062 -2.351 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.834 8.427 -0.216 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.784 9.320 -1.270 1.00 0.00 C ATOM 0 H PHE A 22 0.675 3.262 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.851 5.039 -2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.556 5.285 -0.379 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.635 6.034 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.443 7.717 -3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.107 6.587 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.921 9.758 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.474 8.625 0.631 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.385 10.217 -1.249 1.00 0.00 H new ATOM 370 N ASN A 23 0.549 5.136 -4.783 1.00 0.00 N ATOM 371 CA ASN A 23 1.344 5.218 -6.002 1.00 0.00 C ATOM 372 C ASN A 23 1.474 6.665 -6.468 1.00 0.00 C ATOM 373 O ASN A 23 0.754 7.106 -7.363 1.00 0.00 O ATOM 374 CB ASN A 23 0.712 4.370 -7.107 1.00 0.00 C ATOM 375 CG ASN A 23 1.552 4.343 -8.368 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.350 3.429 -8.577 1.00 0.00 O ATOM 377 ND2 ASN A 23 1.378 5.349 -9.218 1.00 0.00 N ATOM 0 H ASN A 23 -0.440 5.351 -4.910 1.00 0.00 H new ATOM 0 HA ASN A 23 2.340 4.833 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.573 3.351 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.277 4.763 -7.341 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.917 5.384 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.706 6.086 -9.005 1.00 0.00 H new ATOM 384 N GLY A 24 2.395 7.397 -5.850 1.00 0.00 N ATOM 385 CA GLY A 24 2.603 8.785 -6.212 1.00 0.00 C ATOM 386 C GLY A 24 1.584 9.710 -5.576 1.00 0.00 C ATOM 387 O GLY A 24 1.849 10.316 -4.538 1.00 0.00 O ATOM 0 H GLY A 24 3.001 7.053 -5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.605 9.090 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.553 8.886 -7.296 1.00 0.00 H new ATOM 391 N ARG A 25 0.417 9.821 -6.202 1.00 0.00 N ATOM 392 CA ARG A 25 -0.644 10.684 -5.692 1.00 0.00 C ATOM 393 C ARG A 25 -1.935 9.902 -5.459 1.00 0.00 C ATOM 394 O ARG A 25 -2.740 10.263 -4.601 1.00 0.00 O ATOM 395 CB ARG A 25 -0.905 11.835 -6.665 1.00 0.00 C ATOM 396 CG ARG A 25 -1.586 13.031 -6.020 1.00 0.00 C ATOM 397 CD ARG A 25 -0.768 13.583 -4.861 1.00 0.00 C ATOM 398 NE ARG A 25 -0.527 15.018 -4.994 1.00 0.00 N ATOM 399 CZ ARG A 25 -1.428 15.952 -4.699 1.00 0.00 C ATOM 400 NH1 ARG A 25 -2.631 15.607 -4.256 1.00 0.00 N ATOM 401 NH2 ARG A 25 -1.125 17.235 -4.844 1.00 0.00 N ATOM 0 H ARG A 25 0.182 9.325 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.312 11.087 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.042 12.156 -7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.524 11.473 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.735 13.812 -6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.574 12.739 -5.663 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.290 13.389 -3.924 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.186 13.059 -4.809 1.00 0.00 H new ATOM 0 HE ARG A 25 0.386 15.322 -5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.869 14.622 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.318 16.327 -4.031 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.201 17.506 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.816 17.951 -4.618 1.00 0.00 H new ATOM 415 N THR A 26 -2.132 8.834 -6.227 1.00 0.00 N ATOM 416 CA THR A 26 -3.332 8.015 -6.098 1.00 0.00 C ATOM 417 C THR A 26 -3.008 6.654 -5.487 1.00 0.00 C ATOM 418 O THR A 26 -1.841 6.307 -5.302 1.00 0.00 O ATOM 419 CB THR A 26 -3.993 7.825 -7.464 1.00 0.00 C ATOM 420 OG1 THR A 26 -5.200 7.093 -7.339 1.00 0.00 O ATOM 421 CG2 THR A 26 -3.114 7.097 -8.457 1.00 0.00 C ATOM 0 H THR A 26 -1.478 8.517 -6.943 1.00 0.00 H new ATOM 0 HA THR A 26 -4.022 8.535 -5.433 1.00 0.00 H new ATOM 0 HB THR A 26 -4.179 8.832 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.609 6.983 -8.223 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.643 6.995 -9.405 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.195 7.663 -8.613 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.870 6.108 -8.070 1.00 0.00 H new ATOM 429 N CYS A 27 -4.051 5.891 -5.179 1.00 0.00 N ATOM 430 CA CYS A 27 -3.886 4.567 -4.591 1.00 0.00 C ATOM 431 C CYS A 27 -3.787 3.501 -5.678 1.00 0.00 C ATOM 432 O CYS A 27 -3.931 3.793 -6.865 1.00 0.00 O ATOM 433 CB CYS A 27 -5.050 4.251 -3.651 1.00 0.00 C ATOM 434 SG CYS A 27 -5.345 5.521 -2.376 1.00 0.00 S ATOM 0 H CYS A 27 -5.022 6.168 -5.327 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.959 4.564 -4.017 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.957 4.128 -4.242 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.858 3.297 -3.160 1.00 0.00 H new ATOM 439 N ALA A 28 -3.532 2.266 -5.262 1.00 0.00 N ATOM 440 CA ALA A 28 -3.403 1.153 -6.195 1.00 0.00 C ATOM 441 C ALA A 28 -3.868 -0.156 -5.556 1.00 0.00 C ATOM 442 O ALA A 28 -4.233 -0.182 -4.380 1.00 0.00 O ATOM 443 CB ALA A 28 -1.973 1.046 -6.686 1.00 0.00 C ATOM 0 H ALA A 28 -3.410 2.010 -4.282 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.047 1.344 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.889 0.211 -7.382 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.692 1.970 -7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.309 0.880 -5.838 1.00 0.00 H new ATOM 449 N LYS A 29 -3.873 -1.237 -6.339 1.00 0.00 N ATOM 450 CA LYS A 29 -4.320 -2.536 -5.838 1.00 0.00 C ATOM 451 C LYS A 29 -3.482 -3.682 -6.402 1.00 0.00 C ATOM 452 O LYS A 29 -3.159 -3.709 -7.589 1.00 0.00 O ATOM 453 CB LYS A 29 -5.794 -2.753 -6.186 1.00 0.00 C ATOM 454 CG LYS A 29 -6.734 -2.539 -5.008 1.00 0.00 C ATOM 455 CD LYS A 29 -7.641 -3.742 -4.785 1.00 0.00 C ATOM 456 CE LYS A 29 -7.473 -4.324 -3.389 1.00 0.00 C ATOM 457 NZ LYS A 29 -8.770 -4.406 -2.663 1.00 0.00 N ATOM 0 H LYS A 29 -3.575 -1.238 -7.314 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.194 -2.532 -4.755 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.073 -2.073 -6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.924 -3.767 -6.565 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.151 -2.351 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.343 -1.652 -5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.680 -3.447 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.418 -4.508 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.033 -5.319 -3.461 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.777 -3.708 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.740 -5.196 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.937 -3.517 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.540 -4.562 -3.344 1.00 0.00 H new ATOM 471 N PHE A 30 -3.141 -4.627 -5.529 1.00 0.00 N ATOM 472 CA PHE A 30 -2.346 -5.788 -5.914 1.00 0.00 C ATOM 473 C PHE A 30 -2.389 -6.853 -4.821 1.00 0.00 C ATOM 474 O PHE A 30 -2.966 -6.632 -3.757 1.00 0.00 O ATOM 475 CB PHE A 30 -0.895 -5.377 -6.207 1.00 0.00 C ATOM 476 CG PHE A 30 -0.138 -4.803 -5.032 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.739 -4.621 -3.792 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.195 -4.445 -5.177 1.00 0.00 C ATOM 479 CE1 PHE A 30 -0.029 -4.096 -2.729 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.908 -3.920 -4.116 1.00 0.00 C ATOM 481 CZ PHE A 30 1.296 -3.746 -2.892 1.00 0.00 C ATOM 0 H PHE A 30 -3.406 -4.610 -4.544 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.774 -6.210 -6.823 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.355 -6.249 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.898 -4.641 -7.011 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.775 -4.894 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.682 -4.578 -6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.510 -3.960 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.945 -3.646 -4.245 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.853 -3.336 -2.062 1.00 0.00 H new ATOM 491 N ILE A 31 -1.784 -8.006 -5.081 1.00 0.00 N ATOM 492 CA ILE A 31 -1.769 -9.082 -4.105 1.00 0.00 C ATOM 493 C ILE A 31 -0.517 -9.006 -3.231 1.00 0.00 C ATOM 494 O ILE A 31 0.597 -9.254 -3.691 1.00 0.00 O ATOM 495 CB ILE A 31 -1.883 -10.466 -4.791 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.526 -11.474 -3.838 1.00 0.00 C ATOM 497 CG2 ILE A 31 -0.531 -10.975 -5.274 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.564 -12.354 -4.500 1.00 0.00 C ATOM 0 H ILE A 31 -1.301 -8.217 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.640 -8.960 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.517 -10.349 -5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.747 -12.104 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.991 -10.936 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.657 -11.948 -5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.113 -10.271 -5.994 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.146 -11.070 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.978 -13.044 -3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.363 -11.733 -4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.100 -12.920 -5.308 1.00 0.00 H new ATOM 510 N TYR A 32 -0.711 -8.639 -1.967 1.00 0.00 N ATOM 511 CA TYR A 32 0.397 -8.512 -1.029 1.00 0.00 C ATOM 512 C TYR A 32 0.660 -9.827 -0.305 1.00 0.00 C ATOM 513 O TYR A 32 -0.219 -10.366 0.367 1.00 0.00 O ATOM 514 CB TYR A 32 0.110 -7.406 -0.011 1.00 0.00 C ATOM 515 CG TYR A 32 1.230 -7.187 0.980 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.468 -6.711 0.565 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.051 -7.457 2.332 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.495 -6.509 1.469 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.074 -7.258 3.241 1.00 0.00 C ATOM 520 CZ TYR A 32 3.293 -6.784 2.804 1.00 0.00 C ATOM 521 OH TYR A 32 4.313 -6.585 3.706 1.00 0.00 O ATOM 0 H TYR A 32 -1.626 -8.425 -1.570 1.00 0.00 H new ATOM 0 HA TYR A 32 1.288 -8.251 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.079 -6.474 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.802 -7.653 0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.631 -6.495 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.098 -7.828 2.678 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.451 -6.137 1.130 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.919 -7.473 4.288 1.00 0.00 H new ATOM 0 HH TYR A 32 5.147 -6.947 3.341 1.00 0.00 H new ATOM 531 N GLY A 33 1.880 -10.335 -0.446 1.00 0.00 N ATOM 532 CA GLY A 33 2.241 -11.581 0.205 1.00 0.00 C ATOM 533 C GLY A 33 2.782 -11.366 1.605 1.00 0.00 C ATOM 534 O GLY A 33 2.457 -12.119 2.524 1.00 0.00 O ATOM 0 H GLY A 33 2.624 -9.907 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.366 -12.230 0.252 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.990 -12.098 -0.395 1.00 0.00 H new ATOM 538 N GLY A 34 3.607 -10.337 1.770 1.00 0.00 N ATOM 539 CA GLY A 34 4.175 -10.048 3.074 1.00 0.00 C ATOM 540 C GLY A 34 5.608 -9.553 2.998 1.00 0.00 C ATOM 541 O GLY A 34 6.113 -8.952 3.946 1.00 0.00 O ATOM 0 H GLY A 34 3.892 -9.700 1.026 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.563 -9.297 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.139 -10.948 3.688 1.00 0.00 H new ATOM 545 N CYS A 35 6.266 -9.805 1.870 1.00 0.00 N ATOM 546 CA CYS A 35 7.650 -9.378 1.684 1.00 0.00 C ATOM 547 C CYS A 35 7.744 -8.251 0.659 1.00 0.00 C ATOM 548 O CYS A 35 7.439 -8.439 -0.520 1.00 0.00 O ATOM 549 CB CYS A 35 8.532 -10.556 1.254 1.00 0.00 C ATOM 550 SG CYS A 35 7.723 -11.742 0.128 1.00 0.00 S ATOM 0 H CYS A 35 5.865 -10.301 1.074 1.00 0.00 H new ATOM 0 HA CYS A 35 8.011 -9.004 2.642 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.425 -10.165 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.862 -11.089 2.145 1.00 0.00 H new ATOM 555 N GLY A 36 8.169 -7.078 1.119 1.00 0.00 N ATOM 556 CA GLY A 36 8.299 -5.934 0.235 1.00 0.00 C ATOM 557 C GLY A 36 7.512 -4.727 0.715 1.00 0.00 C ATOM 558 O GLY A 36 7.614 -3.644 0.137 1.00 0.00 O ATOM 0 H GLY A 36 8.426 -6.899 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.352 -5.665 0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.958 -6.211 -0.763 1.00 0.00 H new ATOM 562 N GLY A 37 6.725 -4.908 1.773 1.00 0.00 N ATOM 563 CA GLY A 37 5.934 -3.813 2.304 1.00 0.00 C ATOM 564 C GLY A 37 6.507 -3.249 3.589 1.00 0.00 C ATOM 565 O GLY A 37 7.348 -3.879 4.230 1.00 0.00 O ATOM 0 H GLY A 37 6.622 -5.792 2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.872 -3.020 1.559 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.917 -4.159 2.486 1.00 0.00 H new ATOM 569 N ASN A 38 6.051 -2.059 3.965 1.00 0.00 N ATOM 570 CA ASN A 38 6.524 -1.407 5.182 1.00 0.00 C ATOM 571 C ASN A 38 5.547 -0.324 5.632 1.00 0.00 C ATOM 572 O ASN A 38 4.784 -0.517 6.580 1.00 0.00 O ATOM 573 CB ASN A 38 7.916 -0.803 4.965 1.00 0.00 C ATOM 574 CG ASN A 38 8.127 -0.309 3.545 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.220 0.252 2.929 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.330 -0.516 3.019 1.00 0.00 N ATOM 0 H ASN A 38 5.354 -1.526 3.445 1.00 0.00 H new ATOM 0 HA ASN A 38 6.588 -2.163 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.060 0.026 5.658 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.673 -1.551 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.531 -0.206 2.068 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.052 -0.985 3.566 1.00 0.00 H new ATOM 583 N GLY A 39 5.572 0.813 4.943 1.00 0.00 N ATOM 584 CA GLY A 39 4.683 1.908 5.282 1.00 0.00 C ATOM 585 C GLY A 39 3.856 2.378 4.098 1.00 0.00 C ATOM 586 O GLY A 39 2.957 3.205 4.252 1.00 0.00 O ATOM 0 H GLY A 39 6.193 0.995 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.016 1.594 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.270 2.743 5.664 1.00 0.00 H new ATOM 590 N ASN A 40 4.157 1.851 2.912 1.00 0.00 N ATOM 591 CA ASN A 40 3.431 2.225 1.703 1.00 0.00 C ATOM 592 C ASN A 40 2.228 1.313 1.483 1.00 0.00 C ATOM 593 O ASN A 40 1.265 1.691 0.815 1.00 0.00 O ATOM 594 CB ASN A 40 4.361 2.164 0.489 1.00 0.00 C ATOM 595 CG ASN A 40 3.694 2.664 -0.776 1.00 0.00 C ATOM 596 OD1 ASN A 40 2.991 1.918 -1.459 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.913 3.934 -1.098 1.00 0.00 N ATOM 0 H ASN A 40 4.897 1.165 2.764 1.00 0.00 H new ATOM 0 HA ASN A 40 3.069 3.246 1.827 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.252 2.760 0.687 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.692 1.136 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.492 4.327 -1.940 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.502 4.517 -0.503 1.00 0.00 H new ATOM 604 N LYS A 41 2.287 0.110 2.050 1.00 0.00 N ATOM 605 CA LYS A 41 1.201 -0.852 1.915 1.00 0.00 C ATOM 606 C LYS A 41 0.115 -0.596 2.955 1.00 0.00 C ATOM 607 O LYS A 41 0.407 -0.267 4.105 1.00 0.00 O ATOM 608 CB LYS A 41 1.734 -2.278 2.059 1.00 0.00 C ATOM 609 CG LYS A 41 2.526 -2.507 3.337 1.00 0.00 C ATOM 610 CD LYS A 41 2.229 -3.869 3.942 1.00 0.00 C ATOM 611 CE LYS A 41 1.083 -3.799 4.938 1.00 0.00 C ATOM 612 NZ LYS A 41 1.192 -4.850 5.987 1.00 0.00 N ATOM 0 H LYS A 41 3.076 -0.220 2.607 1.00 0.00 H new ATOM 0 HA LYS A 41 0.765 -0.733 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.896 -2.974 2.031 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.368 -2.508 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.592 -2.427 3.124 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.286 -1.727 4.059 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.980 -4.574 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.121 -4.250 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.071 -2.816 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.136 -3.910 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.391 -4.767 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.177 -5.789 5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.084 -4.729 6.509 1.00 0.00 H new ATOM 626 N PHE A 42 -1.138 -0.748 2.542 1.00 0.00 N ATOM 627 CA PHE A 42 -2.271 -0.533 3.435 1.00 0.00 C ATOM 628 C PHE A 42 -3.374 -1.557 3.164 1.00 0.00 C ATOM 629 O PHE A 42 -3.708 -1.827 2.011 1.00 0.00 O ATOM 630 CB PHE A 42 -2.821 0.885 3.262 1.00 0.00 C ATOM 631 CG PHE A 42 -1.750 1.933 3.140 1.00 0.00 C ATOM 632 CD1 PHE A 42 -0.864 2.161 4.181 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.629 2.688 1.984 1.00 0.00 C ATOM 634 CE1 PHE A 42 0.123 3.122 4.071 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.645 3.651 1.869 1.00 0.00 C ATOM 636 CZ PHE A 42 0.233 3.869 2.914 1.00 0.00 C ATOM 0 H PHE A 42 -1.395 -1.020 1.593 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.926 -0.657 4.461 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.451 0.916 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.458 1.125 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.946 1.581 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.312 2.522 1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 42 0.808 3.289 4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.562 4.233 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.003 4.621 2.826 1.00 0.00 H new ATOM 646 N PRO A 43 -3.954 -2.147 4.226 1.00 0.00 N ATOM 647 CA PRO A 43 -5.018 -3.148 4.086 1.00 0.00 C ATOM 648 C PRO A 43 -6.190 -2.649 3.246 1.00 0.00 C ATOM 649 O PRO A 43 -6.556 -3.268 2.246 1.00 0.00 O ATOM 650 CB PRO A 43 -5.467 -3.400 5.529 1.00 0.00 C ATOM 651 CG PRO A 43 -4.293 -3.022 6.363 1.00 0.00 C ATOM 652 CD PRO A 43 -3.617 -1.893 5.639 1.00 0.00 C ATOM 0 HA PRO A 43 -4.663 -4.041 3.572 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.341 -2.800 5.782 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.741 -4.444 5.682 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -4.606 -2.714 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.615 -3.866 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.986 -0.923 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.539 -1.898 5.803 1.00 0.00 H new ATOM 660 N THR A 44 -6.783 -1.533 3.661 1.00 0.00 N ATOM 661 CA THR A 44 -7.920 -0.963 2.947 1.00 0.00 C ATOM 662 C THR A 44 -7.585 0.410 2.371 1.00 0.00 C ATOM 663 O THR A 44 -6.706 1.112 2.872 1.00 0.00 O ATOM 664 CB THR A 44 -9.128 -0.854 3.878 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.760 -0.257 5.110 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.766 -2.191 4.189 1.00 0.00 C ATOM 0 H THR A 44 -6.495 -1.007 4.486 1.00 0.00 H new ATOM 0 HA THR A 44 -8.160 -1.630 2.119 1.00 0.00 H new ATOM 0 HB THR A 44 -9.851 -0.240 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.547 -0.195 5.691 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.617 -2.042 4.854 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.106 -2.656 3.264 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.036 -2.839 4.674 1.00 0.00 H new ATOM 674 N GLN A 45 -8.299 0.786 1.314 1.00 0.00 N ATOM 675 CA GLN A 45 -8.088 2.075 0.666 1.00 0.00 C ATOM 676 C GLN A 45 -8.380 3.221 1.628 1.00 0.00 C ATOM 677 O GLN A 45 -7.818 4.309 1.500 1.00 0.00 O ATOM 678 CB GLN A 45 -8.976 2.196 -0.575 1.00 0.00 C ATOM 679 CG GLN A 45 -8.398 3.100 -1.651 1.00 0.00 C ATOM 680 CD GLN A 45 -9.437 3.539 -2.664 1.00 0.00 C ATOM 681 OE1 GLN A 45 -9.466 4.696 -3.080 1.00 0.00 O ATOM 682 NE2 GLN A 45 -10.298 2.611 -3.067 1.00 0.00 N ATOM 0 H GLN A 45 -9.029 0.215 0.888 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.042 2.136 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.137 1.203 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.952 2.578 -0.277 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.958 3.980 -1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.592 2.577 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.237 1.663 -2.695 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.020 2.846 -3.748 1.00 0.00 H new ATOM 691 N GLU A 46 -9.259 2.970 2.596 1.00 0.00 N ATOM 692 CA GLU A 46 -9.621 3.983 3.583 1.00 0.00 C ATOM 693 C GLU A 46 -8.375 4.569 4.236 1.00 0.00 C ATOM 694 O GLU A 46 -8.298 5.773 4.485 1.00 0.00 O ATOM 695 CB GLU A 46 -10.535 3.380 4.651 1.00 0.00 C ATOM 696 CG GLU A 46 -11.511 4.381 5.249 1.00 0.00 C ATOM 697 CD GLU A 46 -12.831 4.424 4.505 1.00 0.00 C ATOM 698 OE1 GLU A 46 -12.828 4.807 3.316 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.866 4.076 5.110 1.00 0.00 O ATOM 0 H GLU A 46 -9.733 2.075 2.717 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.154 4.784 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.096 2.554 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.922 2.961 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.695 4.125 6.292 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.060 5.373 5.239 1.00 0.00 H new ATOM 706 N ALA A 47 -7.397 3.710 4.504 1.00 0.00 N ATOM 707 CA ALA A 47 -6.150 4.141 5.119 1.00 0.00 C ATOM 708 C ALA A 47 -5.289 4.900 4.116 1.00 0.00 C ATOM 709 O ALA A 47 -4.594 5.850 4.472 1.00 0.00 O ATOM 710 CB ALA A 47 -5.392 2.942 5.671 1.00 0.00 C ATOM 0 H ALA A 47 -7.445 2.711 4.304 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.387 4.814 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.462 3.279 6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.003 2.439 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.168 2.249 4.860 1.00 0.00 H new ATOM 716 N CYS A 48 -5.346 4.473 2.857 1.00 0.00 N ATOM 717 CA CYS A 48 -4.576 5.111 1.792 1.00 0.00 C ATOM 718 C CYS A 48 -4.853 6.613 1.741 1.00 0.00 C ATOM 719 O CYS A 48 -3.939 7.431 1.866 1.00 0.00 O ATOM 720 CB CYS A 48 -4.913 4.474 0.442 1.00 0.00 C ATOM 721 SG CYS A 48 -3.945 5.128 -0.957 1.00 0.00 S ATOM 0 H CYS A 48 -5.918 3.687 2.549 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.517 4.963 2.005 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.750 3.398 0.510 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.973 4.624 0.237 1.00 0.00 H new ATOM 726 N MET A 49 -6.123 6.966 1.558 1.00 0.00 N ATOM 727 CA MET A 49 -6.526 8.366 1.490 1.00 0.00 C ATOM 728 C MET A 49 -6.154 9.105 2.772 1.00 0.00 C ATOM 729 O MET A 49 -5.579 10.192 2.730 1.00 0.00 O ATOM 730 CB MET A 49 -8.031 8.473 1.243 1.00 0.00 C ATOM 731 CG MET A 49 -8.496 7.752 -0.012 1.00 0.00 C ATOM 732 SD MET A 49 -10.026 6.831 0.239 1.00 0.00 S ATOM 733 CE MET A 49 -11.216 7.938 -0.515 1.00 0.00 C ATOM 0 H MET A 49 -6.890 6.301 1.454 1.00 0.00 H new ATOM 0 HA MET A 49 -5.994 8.830 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.562 8.065 2.103 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.304 9.526 1.169 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.642 8.479 -0.811 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.715 7.067 -0.343 1.00 0.00 H new ATOM 0 HE1 MET A 49 -12.214 7.506 -0.439 1.00 0.00 H new ATOM 0 HE2 MET A 49 -11.196 8.899 -0.000 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.963 8.084 -1.565 1.00 0.00 H new ATOM 743 N LYS A 50 -6.485 8.508 3.912 1.00 0.00 N ATOM 744 CA LYS A 50 -6.185 9.111 5.206 1.00 0.00 C ATOM 745 C LYS A 50 -4.678 9.189 5.446 1.00 0.00 C ATOM 746 O LYS A 50 -4.223 9.894 6.346 1.00 0.00 O ATOM 747 CB LYS A 50 -6.849 8.311 6.329 1.00 0.00 C ATOM 748 CG LYS A 50 -6.717 8.960 7.697 1.00 0.00 C ATOM 749 CD LYS A 50 -7.445 8.160 8.766 1.00 0.00 C ATOM 750 CE LYS A 50 -6.883 6.754 8.891 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.181 6.152 10.220 1.00 0.00 N ATOM 0 H LYS A 50 -6.961 7.607 3.966 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.583 10.126 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.906 8.183 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.408 7.315 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.663 9.046 7.960 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.120 9.972 7.661 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.362 8.672 9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.506 8.108 8.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.302 6.125 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.804 6.780 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.781 5.193 10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.760 6.738 10.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.211 6.104 10.356 1.00 0.00 H new ATOM 765 N ARG A 51 -3.909 8.460 4.641 1.00 0.00 N ATOM 766 CA ARG A 51 -2.459 8.451 4.776 1.00 0.00 C ATOM 767 C ARG A 51 -1.853 9.767 4.297 1.00 0.00 C ATOM 768 O ARG A 51 -1.248 10.501 5.078 1.00 0.00 O ATOM 769 CB ARG A 51 -1.862 7.281 3.991 1.00 0.00 C ATOM 770 CG ARG A 51 -0.835 6.486 4.776 1.00 0.00 C ATOM 771 CD ARG A 51 0.570 7.018 4.549 1.00 0.00 C ATOM 772 NE ARG A 51 0.774 8.312 5.197 1.00 0.00 N ATOM 773 CZ ARG A 51 1.320 8.468 6.401 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.704 7.413 7.111 1.00 0.00 N ATOM 775 NH2 ARG A 51 1.478 9.686 6.903 1.00 0.00 N ATOM 0 H ARG A 51 -4.267 7.870 3.890 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.220 8.332 5.833 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.666 6.614 3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.397 7.663 3.082 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.074 6.529 5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.881 5.438 4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.296 6.301 4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.753 7.115 3.479 1.00 0.00 H new ATOM 0 HE ARG A 51 0.479 9.149 4.695 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.582 6.473 6.735 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.121 7.543 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.181 10.501 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.896 9.807 7.825 1.00 0.00 H new ATOM 789 N CYS A 52 -2.008 10.057 3.008 1.00 0.00 N ATOM 790 CA CYS A 52 -1.461 11.286 2.436 1.00 0.00 C ATOM 791 C CYS A 52 -2.524 12.101 1.697 1.00 0.00 C ATOM 792 O CYS A 52 -2.263 13.227 1.273 1.00 0.00 O ATOM 793 CB CYS A 52 -0.309 10.960 1.483 1.00 0.00 C ATOM 794 SG CYS A 52 0.910 9.784 2.157 1.00 0.00 S ATOM 0 H CYS A 52 -2.504 9.463 2.343 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.094 11.891 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.721 10.550 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.203 11.886 1.220 1.00 0.00 H new ATOM 799 N ALA A 53 -3.719 11.538 1.540 1.00 0.00 N ATOM 800 CA ALA A 53 -4.799 12.234 0.849 1.00 0.00 C ATOM 801 C ALA A 53 -5.588 13.118 1.807 1.00 0.00 C ATOM 802 O ALA A 53 -6.194 14.109 1.397 1.00 0.00 O ATOM 803 CB ALA A 53 -5.719 11.237 0.163 1.00 0.00 C ATOM 0 H ALA A 53 -3.963 10.608 1.880 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.353 12.878 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.519 11.772 -0.348 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.150 10.656 -0.563 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.148 10.566 0.907 1.00 0.00 H new ATOM 809 N LYS A 54 -5.578 12.758 3.087 1.00 0.00 N ATOM 810 CA LYS A 54 -6.292 13.524 4.100 1.00 0.00 C ATOM 811 C LYS A 54 -5.319 14.302 4.981 1.00 0.00 C ATOM 812 O LYS A 54 -5.646 15.373 5.489 1.00 0.00 O ATOM 813 CB LYS A 54 -7.152 12.599 4.963 1.00 0.00 C ATOM 814 CG LYS A 54 -8.436 13.246 5.458 1.00 0.00 C ATOM 815 CD LYS A 54 -8.914 12.616 6.756 1.00 0.00 C ATOM 816 CE LYS A 54 -8.633 13.516 7.950 1.00 0.00 C ATOM 817 NZ LYS A 54 -9.762 14.448 8.221 1.00 0.00 N ATOM 0 H LYS A 54 -5.083 11.941 3.446 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.940 14.235 3.588 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.403 11.708 4.387 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.567 12.269 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.272 14.313 5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.211 13.147 4.698 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.984 12.417 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.419 11.655 6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.449 12.902 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.725 14.090 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.531 15.044 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.921 15.051 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.623 13.901 8.422 1.00 0.00 H new ATOM 831 N ALA A 55 -4.121 13.753 5.157 1.00 0.00 N ATOM 832 CA ALA A 55 -3.099 14.395 5.976 1.00 0.00 C ATOM 833 C ALA A 55 -2.128 15.194 5.114 1.00 0.00 C ATOM 834 O ALA A 55 -1.544 14.606 4.179 1.00 0.00 O ATOM 835 CB ALA A 55 -2.349 13.354 6.793 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.959 16.403 5.380 1.00 0.00 O ATOM 0 H ALA A 55 -3.834 12.866 4.744 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.594 15.088 6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.589 13.846 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.049 12.829 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.871 12.640 6.122 1.00 0.00 H new