USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 596 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= -0.0177 (180deg=-0.462) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.501 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.62) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -95:sc= 1.13 USER MOD Single : A 36 GLN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 43 HIS : no HD1:sc= -0.903 K(o=-0.9,f=-0.0073) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 50 ASN : amide:sc= -0.212 K(o=-0.21,f=-3.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 73:sc= -0.183 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 72 GLN : amide:sc= -0.345 K(o=-0.34,f=-1.6!) USER MOD Single : A 76 GLN : amide:sc= -0.435 K(o=-0.43,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.827 -11.474 3.913 1.00 0.00 N ATOM 2 CA MET A 1 -28.664 -10.461 3.208 1.00 0.00 C ATOM 3 C MET A 1 -27.802 -9.248 2.847 1.00 0.00 C ATOM 4 O MET A 1 -26.876 -8.901 3.552 1.00 0.00 O ATOM 5 CB MET A 1 -29.807 -10.019 4.123 1.00 0.00 C ATOM 6 CG MET A 1 -29.238 -9.250 5.317 1.00 0.00 C ATOM 7 SD MET A 1 -30.584 -8.800 6.440 1.00 0.00 S ATOM 8 CE MET A 1 -29.556 -8.334 7.854 1.00 0.00 C ATOM 0 H1 MET A 1 -28.394 -11.942 4.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.492 -12.183 3.230 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.010 -11.004 4.353 1.00 0.00 H new ATOM 0 HA MET A 1 -29.075 -10.899 2.298 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.506 -9.390 3.572 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.366 -10.888 4.470 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.502 -9.861 5.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.721 -8.354 4.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.194 -8.016 8.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.958 -9.190 8.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.896 -7.515 7.570 1.00 0.00 H new ATOM 20 N SER A 2 -28.100 -8.601 1.752 1.00 0.00 N ATOM 21 CA SER A 2 -27.298 -7.410 1.350 1.00 0.00 C ATOM 22 C SER A 2 -27.842 -6.846 0.035 1.00 0.00 C ATOM 23 O SER A 2 -27.807 -5.654 -0.197 1.00 0.00 O ATOM 24 CB SER A 2 -25.837 -7.820 1.161 1.00 0.00 C ATOM 25 OG SER A 2 -25.013 -6.662 1.229 1.00 0.00 O ATOM 0 H SER A 2 -28.862 -8.845 1.120 1.00 0.00 H new ATOM 0 HA SER A 2 -27.366 -6.649 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.545 -8.534 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.708 -8.317 0.199 1.00 0.00 H new ATOM 0 HG SER A 2 -24.075 -6.920 1.110 1.00 0.00 H new ATOM 31 N ARG A 3 -28.344 -7.696 -0.823 1.00 0.00 N ATOM 32 CA ARG A 3 -28.895 -7.220 -2.127 1.00 0.00 C ATOM 33 C ARG A 3 -27.752 -6.982 -3.118 1.00 0.00 C ATOM 34 O ARG A 3 -27.567 -7.731 -4.056 1.00 0.00 O ATOM 35 CB ARG A 3 -29.670 -5.917 -1.918 1.00 0.00 C ATOM 36 CG ARG A 3 -30.616 -5.691 -3.099 1.00 0.00 C ATOM 37 CD ARG A 3 -31.624 -4.597 -2.744 1.00 0.00 C ATOM 38 NE ARG A 3 -32.724 -4.590 -3.749 1.00 0.00 N ATOM 39 CZ ARG A 3 -33.349 -3.479 -4.026 1.00 0.00 C ATOM 40 NH1 ARG A 3 -33.090 -2.844 -5.135 1.00 0.00 N ATOM 41 NH2 ARG A 3 -34.235 -3.004 -3.194 1.00 0.00 N ATOM 0 H ARG A 3 -28.396 -8.704 -0.676 1.00 0.00 H new ATOM 0 HA ARG A 3 -29.567 -7.979 -2.527 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -30.237 -5.964 -0.988 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -28.978 -5.080 -1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -30.048 -5.403 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -31.138 -6.616 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -32.029 -4.770 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -31.130 -3.626 -2.723 1.00 0.00 H new ATOM 0 HE ARG A 3 -32.989 -5.455 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -32.399 -3.216 -5.786 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -33.579 -1.975 -5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -34.439 -3.501 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -34.724 -2.135 -3.411 1.00 0.00 H new ATOM 55 N SER A 4 -26.984 -5.946 -2.920 1.00 0.00 N ATOM 56 CA SER A 4 -25.858 -5.666 -3.853 1.00 0.00 C ATOM 57 C SER A 4 -25.195 -4.336 -3.476 1.00 0.00 C ATOM 58 O SER A 4 -24.009 -4.293 -3.215 1.00 0.00 O ATOM 59 CB SER A 4 -26.385 -5.601 -5.290 1.00 0.00 C ATOM 60 OG SER A 4 -25.821 -4.476 -5.952 1.00 0.00 O ATOM 0 H SER A 4 -27.088 -5.282 -2.153 1.00 0.00 H new ATOM 0 HA SER A 4 -25.119 -6.464 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 4 -26.129 -6.516 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 4 -27.472 -5.527 -5.287 1.00 0.00 H new ATOM 0 HG SER A 4 -26.157 -4.435 -6.872 1.00 0.00 H new ATOM 66 N PRO A 5 -25.980 -3.286 -3.449 1.00 0.00 N ATOM 67 CA PRO A 5 -25.488 -1.943 -3.095 1.00 0.00 C ATOM 68 C PRO A 5 -25.308 -1.835 -1.579 1.00 0.00 C ATOM 69 O PRO A 5 -25.356 -2.820 -0.869 1.00 0.00 O ATOM 70 CB PRO A 5 -26.599 -1.010 -3.584 1.00 0.00 C ATOM 71 CG PRO A 5 -27.883 -1.869 -3.664 1.00 0.00 C ATOM 72 CD PRO A 5 -27.424 -3.336 -3.766 1.00 0.00 C ATOM 0 HA PRO A 5 -24.521 -1.705 -3.538 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -26.733 -0.173 -2.899 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -26.352 -0.588 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -28.506 -1.718 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -28.483 -1.589 -4.530 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -27.964 -3.972 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -27.599 -3.740 -4.763 1.00 0.00 H new ATOM 80 N ASP A 6 -25.101 -0.650 -1.072 1.00 0.00 N ATOM 81 CA ASP A 6 -24.921 -0.498 0.399 1.00 0.00 C ATOM 82 C ASP A 6 -24.840 0.985 0.763 1.00 0.00 C ATOM 83 O ASP A 6 -24.104 1.743 0.165 1.00 0.00 O ATOM 84 CB ASP A 6 -23.630 -1.197 0.827 1.00 0.00 C ATOM 85 CG ASP A 6 -23.832 -1.849 2.196 1.00 0.00 C ATOM 86 OD1 ASP A 6 -24.530 -2.848 2.259 1.00 0.00 O ATOM 87 OD2 ASP A 6 -23.284 -1.338 3.160 1.00 0.00 O ATOM 0 H ASP A 6 -25.049 0.215 -1.610 1.00 0.00 H new ATOM 0 HA ASP A 6 -25.771 -0.947 0.913 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -23.351 -1.951 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -22.812 -0.478 0.872 1.00 0.00 H new ATOM 92 N ALA A 7 -25.590 1.401 1.746 1.00 0.00 N ATOM 93 CA ALA A 7 -25.556 2.832 2.160 1.00 0.00 C ATOM 94 C ALA A 7 -24.867 2.944 3.522 1.00 0.00 C ATOM 95 O ALA A 7 -24.174 2.044 3.952 1.00 0.00 O ATOM 96 CB ALA A 7 -26.984 3.368 2.263 1.00 0.00 C ATOM 0 H ALA A 7 -26.226 0.810 2.281 1.00 0.00 H new ATOM 0 HA ALA A 7 -25.005 3.415 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -26.959 4.415 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -27.476 3.282 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -27.537 2.790 3.003 1.00 0.00 H new ATOM 102 N LYS A 8 -25.051 4.040 4.206 1.00 0.00 N ATOM 103 CA LYS A 8 -24.405 4.198 5.540 1.00 0.00 C ATOM 104 C LYS A 8 -22.907 3.914 5.410 1.00 0.00 C ATOM 105 O LYS A 8 -22.418 2.895 5.856 1.00 0.00 O ATOM 106 CB LYS A 8 -25.024 3.211 6.533 1.00 0.00 C ATOM 107 CG LYS A 8 -26.478 2.928 6.145 1.00 0.00 C ATOM 108 CD LYS A 8 -27.227 2.353 7.350 1.00 0.00 C ATOM 109 CE LYS A 8 -26.676 0.965 7.679 1.00 0.00 C ATOM 110 NZ LYS A 8 -27.449 0.381 8.811 1.00 0.00 N ATOM 0 H LYS A 8 -25.619 4.830 3.900 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.558 5.215 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -24.453 2.283 6.541 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -24.980 3.621 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.960 3.845 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.513 2.225 5.313 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -27.115 3.013 8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.293 2.290 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -26.745 0.318 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.620 1.034 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -27.075 -0.563 9.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -27.361 0.996 9.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -28.451 0.302 8.543 1.00 0.00 H new ATOM 124 N GLU A 9 -22.175 4.805 4.799 1.00 0.00 N ATOM 125 CA GLU A 9 -20.710 4.582 4.638 1.00 0.00 C ATOM 126 C GLU A 9 -20.477 3.559 3.525 1.00 0.00 C ATOM 127 O GLU A 9 -21.263 2.655 3.325 1.00 0.00 O ATOM 128 CB GLU A 9 -20.127 4.056 5.949 1.00 0.00 C ATOM 129 CG GLU A 9 -18.961 4.947 6.383 1.00 0.00 C ATOM 130 CD GLU A 9 -19.106 5.288 7.867 1.00 0.00 C ATOM 131 OE1 GLU A 9 -20.218 5.563 8.287 1.00 0.00 O ATOM 132 OE2 GLU A 9 -18.102 5.268 8.560 1.00 0.00 O ATOM 0 H GLU A 9 -22.528 5.677 4.405 1.00 0.00 H new ATOM 0 HA GLU A 9 -20.222 5.521 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.896 4.043 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.786 3.029 5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -18.014 4.437 6.207 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.946 5.861 5.789 1.00 0.00 H new ATOM 139 N ASP A 10 -19.404 3.695 2.794 1.00 0.00 N ATOM 140 CA ASP A 10 -19.131 2.729 1.693 1.00 0.00 C ATOM 141 C ASP A 10 -17.630 2.427 1.629 1.00 0.00 C ATOM 142 O ASP A 10 -16.883 3.146 0.995 1.00 0.00 O ATOM 143 CB ASP A 10 -19.584 3.338 0.364 1.00 0.00 C ATOM 144 CG ASP A 10 -18.923 4.705 0.180 1.00 0.00 C ATOM 145 OD1 ASP A 10 -19.056 5.530 1.069 1.00 0.00 O ATOM 146 OD2 ASP A 10 -18.297 4.905 -0.848 1.00 0.00 O ATOM 0 H ASP A 10 -18.707 4.431 2.911 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.676 1.804 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.316 2.678 -0.461 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.669 3.442 0.350 1.00 0.00 H new ATOM 151 N PRO A 11 -17.234 1.368 2.289 1.00 0.00 N ATOM 152 CA PRO A 11 -15.825 0.937 2.328 1.00 0.00 C ATOM 153 C PRO A 11 -15.450 0.217 1.029 1.00 0.00 C ATOM 154 O PRO A 11 -16.030 -0.791 0.678 1.00 0.00 O ATOM 155 CB PRO A 11 -15.778 -0.025 3.518 1.00 0.00 C ATOM 156 CG PRO A 11 -17.226 -0.526 3.732 1.00 0.00 C ATOM 157 CD PRO A 11 -18.153 0.502 3.057 1.00 0.00 C ATOM 0 HA PRO A 11 -15.125 1.766 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.104 -0.858 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -15.405 0.479 4.410 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -17.362 -1.515 3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -17.453 -0.613 4.795 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -18.880 0.016 2.406 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -18.717 1.074 3.794 1.00 0.00 H new ATOM 165 N VAL A 12 -14.483 0.725 0.313 1.00 0.00 N ATOM 166 CA VAL A 12 -14.075 0.066 -0.960 1.00 0.00 C ATOM 167 C VAL A 12 -13.719 -1.396 -0.683 1.00 0.00 C ATOM 168 O VAL A 12 -13.203 -1.732 0.363 1.00 0.00 O ATOM 169 CB VAL A 12 -12.859 0.786 -1.548 1.00 0.00 C ATOM 170 CG1 VAL A 12 -12.532 0.194 -2.920 1.00 0.00 C ATOM 171 CG2 VAL A 12 -13.171 2.278 -1.700 1.00 0.00 C ATOM 0 H VAL A 12 -13.959 1.566 0.554 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.899 0.113 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.005 0.659 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.666 0.706 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.310 -0.868 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.387 0.322 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.305 2.790 -2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.025 2.405 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.406 2.702 -0.724 1.00 0.00 H new ATOM 181 N GLU A 13 -13.994 -2.270 -1.611 1.00 0.00 N ATOM 182 CA GLU A 13 -13.675 -3.710 -1.399 1.00 0.00 C ATOM 183 C GLU A 13 -12.189 -3.955 -1.667 1.00 0.00 C ATOM 184 O GLU A 13 -11.694 -3.697 -2.747 1.00 0.00 O ATOM 185 CB GLU A 13 -14.514 -4.557 -2.356 1.00 0.00 C ATOM 186 CG GLU A 13 -15.998 -4.263 -2.130 1.00 0.00 C ATOM 187 CD GLU A 13 -16.783 -5.575 -2.121 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.818 -6.215 -1.082 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.336 -5.920 -3.152 1.00 0.00 O ATOM 0 H GLU A 13 -14.426 -2.049 -2.508 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.903 -3.985 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.242 -4.336 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.313 -5.616 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.136 -3.738 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.374 -3.608 -2.916 1.00 0.00 H new ATOM 196 N CYS A 14 -11.471 -4.454 -0.695 1.00 0.00 N ATOM 197 CA CYS A 14 -10.019 -4.717 -0.902 1.00 0.00 C ATOM 198 C CYS A 14 -9.822 -5.384 -2.269 1.00 0.00 C ATOM 199 O CYS A 14 -10.347 -6.452 -2.510 1.00 0.00 O ATOM 200 CB CYS A 14 -9.500 -5.659 0.191 1.00 0.00 C ATOM 201 SG CYS A 14 -7.759 -6.053 -0.132 1.00 0.00 S ATOM 0 H CYS A 14 -11.828 -4.690 0.231 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.471 -3.775 -0.859 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.603 -5.190 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.094 -6.573 0.211 1.00 0.00 H new ATOM 206 N PRO A 15 -9.066 -4.740 -3.126 1.00 0.00 N ATOM 207 CA PRO A 15 -8.781 -5.259 -4.477 1.00 0.00 C ATOM 208 C PRO A 15 -7.679 -6.327 -4.431 1.00 0.00 C ATOM 209 O PRO A 15 -6.943 -6.509 -5.379 1.00 0.00 O ATOM 210 CB PRO A 15 -8.297 -4.023 -5.238 1.00 0.00 C ATOM 211 CG PRO A 15 -7.789 -3.024 -4.170 1.00 0.00 C ATOM 212 CD PRO A 15 -8.434 -3.437 -2.835 1.00 0.00 C ATOM 0 HA PRO A 15 -9.646 -5.736 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.501 -4.283 -5.936 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.105 -3.587 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.702 -3.053 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.065 -2.003 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.690 -3.523 -2.043 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.169 -2.703 -2.504 1.00 0.00 H new ATOM 220 N LEU A 16 -7.555 -7.033 -3.339 1.00 0.00 N ATOM 221 CA LEU A 16 -6.502 -8.076 -3.241 1.00 0.00 C ATOM 222 C LEU A 16 -7.103 -9.344 -2.629 1.00 0.00 C ATOM 223 O LEU A 16 -6.819 -10.445 -3.053 1.00 0.00 O ATOM 224 CB LEU A 16 -5.376 -7.562 -2.345 1.00 0.00 C ATOM 225 CG LEU A 16 -4.030 -7.750 -3.039 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.843 -9.223 -3.406 1.00 0.00 C ATOM 227 CD2 LEU A 16 -3.981 -6.897 -4.309 1.00 0.00 C ATOM 0 H LEU A 16 -8.141 -6.929 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.109 -8.303 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.533 -6.508 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.383 -8.097 -1.395 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.232 -7.440 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.881 -9.355 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.871 -9.830 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.643 -9.535 -4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.019 -7.034 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.781 -7.202 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.109 -5.847 -4.047 1.00 0.00 H new ATOM 239 N CYS A 17 -7.940 -9.192 -1.637 1.00 0.00 N ATOM 240 CA CYS A 17 -8.569 -10.387 -1.000 1.00 0.00 C ATOM 241 C CYS A 17 -10.095 -10.233 -1.025 1.00 0.00 C ATOM 242 O CYS A 17 -10.825 -11.153 -0.714 1.00 0.00 O ATOM 243 CB CYS A 17 -8.080 -10.528 0.446 1.00 0.00 C ATOM 244 SG CYS A 17 -8.831 -9.242 1.473 1.00 0.00 S ATOM 0 H CYS A 17 -8.215 -8.293 -1.240 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.287 -11.282 -1.554 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.339 -11.513 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.994 -10.447 0.482 1.00 0.00 H new ATOM 249 N MET A 18 -10.570 -9.075 -1.412 1.00 0.00 N ATOM 250 CA MET A 18 -12.039 -8.829 -1.496 1.00 0.00 C ATOM 251 C MET A 18 -12.608 -8.381 -0.143 1.00 0.00 C ATOM 252 O MET A 18 -13.587 -7.663 -0.092 1.00 0.00 O ATOM 253 CB MET A 18 -12.760 -10.099 -1.958 1.00 0.00 C ATOM 254 CG MET A 18 -11.949 -10.781 -3.064 1.00 0.00 C ATOM 255 SD MET A 18 -12.996 -11.016 -4.521 1.00 0.00 S ATOM 256 CE MET A 18 -11.670 -11.053 -5.751 1.00 0.00 C ATOM 0 H MET A 18 -9.991 -8.278 -1.677 1.00 0.00 H new ATOM 0 HA MET A 18 -12.202 -8.030 -2.220 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.891 -10.780 -1.117 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.756 -9.850 -2.325 1.00 0.00 H new ATOM 0 HG2 MET A 18 -11.081 -10.174 -3.321 1.00 0.00 H new ATOM 0 HG3 MET A 18 -11.573 -11.742 -2.714 1.00 0.00 H new ATOM 0 HE1 MET A 18 -12.098 -11.192 -6.744 1.00 0.00 H new ATOM 0 HE2 MET A 18 -11.120 -10.112 -5.722 1.00 0.00 H new ATOM 0 HE3 MET A 18 -10.991 -11.877 -5.530 1.00 0.00 H new ATOM 266 N GLU A 19 -12.022 -8.804 0.947 1.00 0.00 N ATOM 267 CA GLU A 19 -12.552 -8.401 2.287 1.00 0.00 C ATOM 268 C GLU A 19 -12.996 -6.935 2.259 1.00 0.00 C ATOM 269 O GLU A 19 -12.575 -6.179 1.408 1.00 0.00 O ATOM 270 CB GLU A 19 -11.461 -8.566 3.349 1.00 0.00 C ATOM 271 CG GLU A 19 -11.314 -10.043 3.712 1.00 0.00 C ATOM 272 CD GLU A 19 -10.692 -10.167 5.105 1.00 0.00 C ATOM 273 OE1 GLU A 19 -11.366 -9.824 6.065 1.00 0.00 O ATOM 274 OE2 GLU A 19 -9.556 -10.600 5.189 1.00 0.00 O ATOM 0 H GLU A 19 -11.201 -9.410 0.969 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.404 -9.037 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.514 -8.178 2.974 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.714 -7.987 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.288 -10.532 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.688 -10.549 2.976 1.00 0.00 H new ATOM 281 N PRO A 20 -13.835 -6.581 3.199 1.00 0.00 N ATOM 282 CA PRO A 20 -14.362 -5.210 3.323 1.00 0.00 C ATOM 283 C PRO A 20 -13.309 -4.288 3.948 1.00 0.00 C ATOM 284 O PRO A 20 -12.894 -4.479 5.074 1.00 0.00 O ATOM 285 CB PRO A 20 -15.568 -5.369 4.252 1.00 0.00 C ATOM 286 CG PRO A 20 -15.336 -6.677 5.045 1.00 0.00 C ATOM 287 CD PRO A 20 -14.336 -7.516 4.229 1.00 0.00 C ATOM 0 HA PRO A 20 -14.626 -4.764 2.364 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.655 -4.516 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.495 -5.420 3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.942 -6.463 6.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.273 -7.217 5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.526 -7.890 4.855 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.818 -8.384 3.779 1.00 0.00 H new ATOM 295 N LEU A 21 -12.875 -3.291 3.226 1.00 0.00 N ATOM 296 CA LEU A 21 -11.851 -2.361 3.778 1.00 0.00 C ATOM 297 C LEU A 21 -12.450 -1.567 4.939 1.00 0.00 C ATOM 298 O LEU A 21 -13.619 -1.686 5.250 1.00 0.00 O ATOM 299 CB LEU A 21 -11.399 -1.387 2.690 1.00 0.00 C ATOM 300 CG LEU A 21 -10.362 -2.064 1.793 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.276 -1.322 0.458 1.00 0.00 C ATOM 302 CD2 LEU A 21 -8.997 -2.028 2.481 1.00 0.00 C ATOM 0 H LEU A 21 -13.186 -3.081 2.278 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.997 -2.941 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.255 -1.067 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.973 -0.492 3.143 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.656 -3.098 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.536 -1.806 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.249 -1.343 -0.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.981 -0.288 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.256 -2.510 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.706 -0.993 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.055 -2.556 3.433 1.00 0.00 H new ATOM 314 N GLU A 22 -11.657 -0.753 5.576 1.00 0.00 N ATOM 315 CA GLU A 22 -12.172 0.059 6.710 1.00 0.00 C ATOM 316 C GLU A 22 -12.055 1.541 6.349 1.00 0.00 C ATOM 317 O GLU A 22 -11.987 1.900 5.190 1.00 0.00 O ATOM 318 CB GLU A 22 -11.350 -0.239 7.966 1.00 0.00 C ATOM 319 CG GLU A 22 -12.261 -0.840 9.039 1.00 0.00 C ATOM 320 CD GLU A 22 -12.220 0.033 10.294 1.00 0.00 C ATOM 321 OE1 GLU A 22 -11.178 0.610 10.556 1.00 0.00 O ATOM 322 OE2 GLU A 22 -13.230 0.108 10.971 1.00 0.00 O ATOM 0 H GLU A 22 -10.670 -0.615 5.358 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.216 -0.189 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.542 -0.932 7.729 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.887 0.676 8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.283 -0.910 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.939 -1.854 9.278 1.00 0.00 H new ATOM 329 N ILE A 23 -12.033 2.407 7.323 1.00 0.00 N ATOM 330 CA ILE A 23 -11.923 3.861 7.015 1.00 0.00 C ATOM 331 C ILE A 23 -10.449 4.264 6.953 1.00 0.00 C ATOM 332 O ILE A 23 -9.978 4.780 5.959 1.00 0.00 O ATOM 333 CB ILE A 23 -12.621 4.667 8.110 1.00 0.00 C ATOM 334 CG1 ILE A 23 -14.118 4.346 8.101 1.00 0.00 C ATOM 335 CG2 ILE A 23 -12.413 6.159 7.851 1.00 0.00 C ATOM 336 CD1 ILE A 23 -14.659 4.473 6.676 1.00 0.00 C ATOM 0 H ILE A 23 -12.086 2.173 8.314 1.00 0.00 H new ATOM 0 HA ILE A 23 -12.395 4.062 6.053 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.202 4.406 9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.286 3.337 8.477 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.651 5.026 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.910 6.736 8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.347 6.384 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.834 6.422 6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -15.725 4.244 6.670 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -14.504 5.491 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -14.134 3.775 6.024 1.00 0.00 H new ATOM 348 N ASP A 24 -9.718 4.037 8.010 1.00 0.00 N ATOM 349 CA ASP A 24 -8.276 4.413 8.012 1.00 0.00 C ATOM 350 C ASP A 24 -7.468 3.374 7.230 1.00 0.00 C ATOM 351 O ASP A 24 -6.257 3.445 7.156 1.00 0.00 O ATOM 352 CB ASP A 24 -7.767 4.472 9.453 1.00 0.00 C ATOM 353 CG ASP A 24 -6.601 5.459 9.543 1.00 0.00 C ATOM 354 OD1 ASP A 24 -6.705 6.522 8.954 1.00 0.00 O ATOM 355 OD2 ASP A 24 -5.626 5.135 10.198 1.00 0.00 O ATOM 0 H ASP A 24 -10.057 3.608 8.871 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.159 5.389 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.571 4.781 10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.445 3.482 9.777 1.00 0.00 H new ATOM 360 N ASP A 25 -8.125 2.409 6.648 1.00 0.00 N ATOM 361 CA ASP A 25 -7.389 1.370 5.873 1.00 0.00 C ATOM 362 C ASP A 25 -7.456 1.705 4.382 1.00 0.00 C ATOM 363 O ASP A 25 -6.686 1.202 3.587 1.00 0.00 O ATOM 364 CB ASP A 25 -8.030 0.002 6.117 1.00 0.00 C ATOM 365 CG ASP A 25 -7.924 -0.357 7.601 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.371 0.435 8.345 1.00 0.00 O ATOM 367 OD2 ASP A 25 -8.399 -1.420 7.968 1.00 0.00 O ATOM 0 H ASP A 25 -9.138 2.295 6.675 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.348 1.346 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.076 0.019 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.533 -0.757 5.512 1.00 0.00 H new ATOM 372 N ILE A 26 -8.372 2.548 3.995 1.00 0.00 N ATOM 373 CA ILE A 26 -8.491 2.914 2.556 1.00 0.00 C ATOM 374 C ILE A 26 -7.244 3.699 2.129 1.00 0.00 C ATOM 375 O ILE A 26 -6.305 3.144 1.596 1.00 0.00 O ATOM 376 CB ILE A 26 -9.750 3.769 2.359 1.00 0.00 C ATOM 377 CG1 ILE A 26 -10.980 2.857 2.349 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.671 4.525 1.032 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.217 3.660 2.754 1.00 0.00 C ATOM 0 H ILE A 26 -9.045 3.000 4.614 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.570 2.015 1.945 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.825 4.489 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.120 2.430 1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.833 2.024 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.570 5.128 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -8.795 5.174 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.592 3.812 0.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.092 3.010 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.075 4.066 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.367 4.478 2.049 1.00 0.00 H new ATOM 391 N ASN A 27 -7.228 4.982 2.362 1.00 0.00 N ATOM 392 CA ASN A 27 -6.040 5.797 1.970 1.00 0.00 C ATOM 393 C ASN A 27 -4.760 5.050 2.350 1.00 0.00 C ATOM 394 O ASN A 27 -3.733 5.201 1.718 1.00 0.00 O ATOM 395 CB ASN A 27 -6.082 7.139 2.702 1.00 0.00 C ATOM 396 CG ASN A 27 -6.537 8.229 1.733 1.00 0.00 C ATOM 397 OD1 ASN A 27 -6.080 8.287 0.608 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.425 9.102 2.121 1.00 0.00 N ATOM 0 H ASN A 27 -7.984 5.503 2.806 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.055 5.967 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.764 7.082 3.550 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.097 7.379 3.101 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.736 9.833 1.481 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.809 9.054 3.065 1.00 0.00 H new ATOM 405 N PHE A 28 -4.809 4.246 3.376 1.00 0.00 N ATOM 406 CA PHE A 28 -3.590 3.496 3.786 1.00 0.00 C ATOM 407 C PHE A 28 -3.291 2.406 2.755 1.00 0.00 C ATOM 408 O PHE A 28 -3.924 1.369 2.730 1.00 0.00 O ATOM 409 CB PHE A 28 -3.815 2.852 5.157 1.00 0.00 C ATOM 410 CG PHE A 28 -2.706 1.864 5.434 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.529 2.289 6.062 1.00 0.00 C ATOM 412 CD2 PHE A 28 -2.855 0.523 5.059 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.501 1.371 6.315 1.00 0.00 C ATOM 414 CE2 PHE A 28 -1.828 -0.393 5.312 1.00 0.00 C ATOM 415 CZ PHE A 28 -0.651 0.031 5.940 1.00 0.00 C ATOM 0 H PHE A 28 -5.638 4.077 3.946 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.747 4.185 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.837 3.618 5.932 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.781 2.348 5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.414 3.323 6.351 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.763 0.196 4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.407 1.698 6.799 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.943 -1.427 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.142 -0.676 6.135 1.00 0.00 H new ATOM 425 N PHE A 29 -2.326 2.632 1.907 1.00 0.00 N ATOM 426 CA PHE A 29 -1.980 1.609 0.881 1.00 0.00 C ATOM 427 C PHE A 29 -0.494 1.273 0.989 1.00 0.00 C ATOM 428 O PHE A 29 0.288 2.073 1.462 1.00 0.00 O ATOM 429 CB PHE A 29 -2.258 2.159 -0.520 1.00 0.00 C ATOM 430 CG PHE A 29 -2.007 3.646 -0.531 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.718 4.144 -0.292 1.00 0.00 C ATOM 432 CD2 PHE A 29 -3.068 4.528 -0.769 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.495 5.526 -0.294 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.845 5.908 -0.766 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.557 6.409 -0.530 1.00 0.00 C ATOM 0 H PHE A 29 -1.762 3.481 1.880 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.584 0.717 1.049 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.617 1.665 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.289 1.950 -0.807 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.100 3.464 -0.107 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.059 4.142 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.497 5.912 -0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.665 6.588 -0.945 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.384 7.475 -0.530 1.00 0.00 H new ATOM 445 N PRO A 30 -0.147 0.101 0.533 1.00 0.00 N ATOM 446 CA PRO A 30 1.242 -0.370 0.546 1.00 0.00 C ATOM 447 C PRO A 30 2.013 0.257 -0.618 1.00 0.00 C ATOM 448 O PRO A 30 3.199 0.059 -0.766 1.00 0.00 O ATOM 449 CB PRO A 30 1.111 -1.883 0.363 1.00 0.00 C ATOM 450 CG PRO A 30 -0.264 -2.122 -0.306 1.00 0.00 C ATOM 451 CD PRO A 30 -1.110 -0.863 -0.038 1.00 0.00 C ATOM 0 HA PRO A 30 1.783 -0.106 1.455 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.918 -2.271 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.171 -2.397 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.150 -2.291 -1.377 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.747 -3.008 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.560 -0.482 -0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.925 -1.070 0.655 1.00 0.00 H new ATOM 459 N CYS A 31 1.345 1.011 -1.448 1.00 0.00 N ATOM 460 CA CYS A 31 2.042 1.645 -2.602 1.00 0.00 C ATOM 461 C CYS A 31 1.379 2.984 -2.923 1.00 0.00 C ATOM 462 O CYS A 31 0.198 3.170 -2.707 1.00 0.00 O ATOM 463 CB CYS A 31 1.947 0.724 -3.817 1.00 0.00 C ATOM 464 SG CYS A 31 3.282 1.112 -4.973 1.00 0.00 S ATOM 0 H CYS A 31 0.348 1.215 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 31 3.090 1.811 -2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.014 -0.318 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.981 0.848 -4.306 1.00 0.00 H new ATOM 469 N THR A 32 2.129 3.921 -3.438 1.00 0.00 N ATOM 470 CA THR A 32 1.539 5.248 -3.769 1.00 0.00 C ATOM 471 C THR A 32 0.881 5.189 -5.150 1.00 0.00 C ATOM 472 O THR A 32 0.030 5.994 -5.474 1.00 0.00 O ATOM 473 CB THR A 32 2.641 6.313 -3.771 1.00 0.00 C ATOM 474 OG1 THR A 32 2.048 7.605 -3.775 1.00 0.00 O ATOM 475 CG2 THR A 32 3.517 6.145 -5.014 1.00 0.00 C ATOM 0 H THR A 32 3.123 3.824 -3.643 1.00 0.00 H new ATOM 0 HA THR A 32 0.788 5.505 -3.022 1.00 0.00 H new ATOM 0 HB THR A 32 3.258 6.199 -2.880 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.751 8.288 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.300 6.904 -5.013 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.972 5.154 -5.007 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.905 6.257 -5.909 1.00 0.00 H new ATOM 483 N CYS A 33 1.269 4.248 -5.970 1.00 0.00 N ATOM 484 CA CYS A 33 0.659 4.153 -7.327 1.00 0.00 C ATOM 485 C CYS A 33 -0.866 4.125 -7.195 1.00 0.00 C ATOM 486 O CYS A 33 -1.582 4.453 -8.120 1.00 0.00 O ATOM 487 CB CYS A 33 1.151 2.885 -8.034 1.00 0.00 C ATOM 488 SG CYS A 33 0.394 1.424 -7.285 1.00 0.00 S ATOM 0 H CYS A 33 1.978 3.545 -5.760 1.00 0.00 H new ATOM 0 HA CYS A 33 0.954 5.019 -7.920 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.902 2.930 -9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.237 2.818 -7.964 1.00 0.00 H new ATOM 493 N GLY A 34 -1.369 3.754 -6.048 1.00 0.00 N ATOM 494 CA GLY A 34 -2.848 3.728 -5.861 1.00 0.00 C ATOM 495 C GLY A 34 -3.311 2.331 -5.445 1.00 0.00 C ATOM 496 O GLY A 34 -4.129 2.186 -4.560 1.00 0.00 O ATOM 0 H GLY A 34 -0.822 3.469 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.137 4.454 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.343 4.021 -6.787 1.00 0.00 H new ATOM 500 N TYR A 35 -2.807 1.301 -6.074 1.00 0.00 N ATOM 501 CA TYR A 35 -3.244 -0.075 -5.702 1.00 0.00 C ATOM 502 C TYR A 35 -3.250 -0.201 -4.177 1.00 0.00 C ATOM 503 O TYR A 35 -2.238 -0.470 -3.560 1.00 0.00 O ATOM 504 CB TYR A 35 -2.286 -1.107 -6.304 1.00 0.00 C ATOM 505 CG TYR A 35 -3.054 -2.372 -6.607 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.233 -2.304 -7.359 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.593 -3.610 -6.137 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.952 -3.470 -7.642 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.314 -4.778 -6.422 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.492 -4.707 -7.174 1.00 0.00 C ATOM 511 OH TYR A 35 -5.203 -5.857 -7.454 1.00 0.00 O ATOM 0 H TYR A 35 -2.117 1.353 -6.823 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.246 -0.258 -6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.833 -0.714 -7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.473 -1.317 -5.609 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.588 -1.350 -7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.684 -3.664 -5.556 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.862 -3.416 -8.221 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.960 -5.733 -6.061 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.804 -6.060 -6.707 1.00 0.00 H new ATOM 521 N GLN A 36 -4.382 0.011 -3.564 1.00 0.00 N ATOM 522 CA GLN A 36 -4.457 -0.075 -2.079 1.00 0.00 C ATOM 523 C GLN A 36 -5.062 -1.417 -1.662 1.00 0.00 C ATOM 524 O GLN A 36 -6.006 -1.897 -2.255 1.00 0.00 O ATOM 525 CB GLN A 36 -5.341 1.060 -1.558 1.00 0.00 C ATOM 526 CG GLN A 36 -5.552 0.899 -0.051 1.00 0.00 C ATOM 527 CD GLN A 36 -7.042 1.024 0.271 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.625 0.137 0.863 1.00 0.00 O ATOM 529 NE2 GLN A 36 -7.689 2.097 -0.097 1.00 0.00 N ATOM 0 H GLN A 36 -5.260 0.241 -4.029 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.454 0.009 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.875 2.023 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.302 1.051 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.178 -0.071 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -4.987 1.659 0.489 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.200 2.842 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.683 2.190 0.112 1.00 0.00 H new ATOM 538 N ILE A 37 -4.528 -2.017 -0.634 1.00 0.00 N ATOM 539 CA ILE A 37 -5.077 -3.318 -0.163 1.00 0.00 C ATOM 540 C ILE A 37 -5.545 -3.160 1.283 1.00 0.00 C ATOM 541 O ILE A 37 -5.470 -2.092 1.856 1.00 0.00 O ATOM 542 CB ILE A 37 -3.993 -4.397 -0.235 1.00 0.00 C ATOM 543 CG1 ILE A 37 -2.934 -4.128 0.836 1.00 0.00 C ATOM 544 CG2 ILE A 37 -3.339 -4.374 -1.617 1.00 0.00 C ATOM 545 CD1 ILE A 37 -1.723 -5.032 0.599 1.00 0.00 C ATOM 0 H ILE A 37 -3.735 -1.662 -0.100 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.914 -3.614 -0.796 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.443 -5.375 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.630 -3.082 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.349 -4.312 1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.568 -5.142 -1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.093 -4.567 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.889 -3.396 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.970 -4.839 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.033 -6.076 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.302 -4.826 -0.385 1.00 0.00 H new ATOM 557 N CYS A 38 -6.027 -4.212 1.877 1.00 0.00 N ATOM 558 CA CYS A 38 -6.498 -4.118 3.284 1.00 0.00 C ATOM 559 C CYS A 38 -5.337 -4.447 4.227 1.00 0.00 C ATOM 560 O CYS A 38 -4.302 -4.922 3.805 1.00 0.00 O ATOM 561 CB CYS A 38 -7.655 -5.101 3.495 1.00 0.00 C ATOM 562 SG CYS A 38 -7.018 -6.793 3.593 1.00 0.00 S ATOM 0 H CYS A 38 -6.115 -5.134 1.449 1.00 0.00 H new ATOM 0 HA CYS A 38 -6.850 -3.108 3.496 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.192 -4.852 4.410 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.368 -5.019 2.674 1.00 0.00 H new ATOM 567 N ARG A 39 -5.496 -4.201 5.500 1.00 0.00 N ATOM 568 CA ARG A 39 -4.391 -4.506 6.453 1.00 0.00 C ATOM 569 C ARG A 39 -4.193 -6.021 6.532 1.00 0.00 C ATOM 570 O ARG A 39 -3.119 -6.499 6.838 1.00 0.00 O ATOM 571 CB ARG A 39 -4.738 -3.959 7.840 1.00 0.00 C ATOM 572 CG ARG A 39 -3.598 -3.058 8.324 1.00 0.00 C ATOM 573 CD ARG A 39 -4.171 -1.896 9.137 1.00 0.00 C ATOM 574 NE ARG A 39 -4.958 -2.431 10.282 1.00 0.00 N ATOM 575 CZ ARG A 39 -4.526 -2.271 11.503 1.00 0.00 C ATOM 576 NH1 ARG A 39 -5.230 -1.586 12.361 1.00 0.00 N ATOM 577 NH2 ARG A 39 -3.388 -2.797 11.866 1.00 0.00 N ATOM 0 H ARG A 39 -6.337 -3.805 5.919 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.471 -4.036 6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.671 -3.396 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.891 -4.780 8.540 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.901 -3.633 8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.036 -2.676 7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.364 -1.261 9.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.805 -1.274 8.505 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.835 -2.923 10.112 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.119 -1.175 12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.891 -1.462 13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.837 -3.333 11.195 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.050 -2.672 12.820 1.00 0.00 H new ATOM 591 N PHE A 40 -5.216 -6.781 6.250 1.00 0.00 N ATOM 592 CA PHE A 40 -5.071 -8.263 6.302 1.00 0.00 C ATOM 593 C PHE A 40 -4.235 -8.725 5.108 1.00 0.00 C ATOM 594 O PHE A 40 -3.684 -9.808 5.102 1.00 0.00 O ATOM 595 CB PHE A 40 -6.454 -8.918 6.244 1.00 0.00 C ATOM 596 CG PHE A 40 -7.171 -8.700 7.555 1.00 0.00 C ATOM 597 CD1 PHE A 40 -6.841 -9.477 8.671 1.00 0.00 C ATOM 598 CD2 PHE A 40 -8.165 -7.718 7.654 1.00 0.00 C ATOM 599 CE1 PHE A 40 -7.507 -9.274 9.887 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.830 -7.516 8.870 1.00 0.00 C ATOM 601 CZ PHE A 40 -8.500 -8.293 9.986 1.00 0.00 C ATOM 0 H PHE A 40 -6.141 -6.442 5.987 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.578 -8.551 7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.035 -8.494 5.425 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.355 -9.985 6.045 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.073 -10.233 8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.418 -7.117 6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.254 -9.875 10.748 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.598 -6.760 8.946 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.012 -8.136 10.924 1.00 0.00 H new ATOM 611 N CYS A 41 -4.136 -7.907 4.095 1.00 0.00 N ATOM 612 CA CYS A 41 -3.336 -8.289 2.898 1.00 0.00 C ATOM 613 C CYS A 41 -1.893 -7.804 3.072 1.00 0.00 C ATOM 614 O CYS A 41 -0.951 -8.490 2.729 1.00 0.00 O ATOM 615 CB CYS A 41 -3.949 -7.643 1.653 1.00 0.00 C ATOM 616 SG CYS A 41 -5.229 -8.730 0.978 1.00 0.00 S ATOM 0 H CYS A 41 -4.576 -6.988 4.046 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.341 -9.373 2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.377 -6.673 1.907 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.177 -7.465 0.905 1.00 0.00 H new ATOM 621 N TRP A 42 -1.717 -6.622 3.601 1.00 0.00 N ATOM 622 CA TRP A 42 -0.339 -6.084 3.796 1.00 0.00 C ATOM 623 C TRP A 42 0.358 -6.837 4.932 1.00 0.00 C ATOM 624 O TRP A 42 1.555 -6.738 5.111 1.00 0.00 O ATOM 625 CB TRP A 42 -0.422 -4.596 4.148 1.00 0.00 C ATOM 626 CG TRP A 42 0.918 -4.112 4.605 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.880 -3.610 3.797 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.458 -4.077 5.957 1.00 0.00 C ATOM 629 NE1 TRP A 42 2.978 -3.270 4.569 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.766 -3.539 5.907 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.945 -4.455 7.209 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.537 -3.383 7.060 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.718 -4.301 8.371 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.012 -3.764 8.296 1.00 0.00 C ATOM 0 H TRP A 42 -2.469 -6.005 3.907 1.00 0.00 H new ATOM 0 HA TRP A 42 0.232 -6.214 2.877 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.749 -4.024 3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.163 -4.438 4.931 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.804 -3.494 2.726 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.838 -2.870 4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.051 -4.867 7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.533 -2.970 6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.314 -4.598 9.328 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.601 -3.646 9.193 1.00 0.00 H new ATOM 645 N HIS A 43 -0.378 -7.588 5.704 1.00 0.00 N ATOM 646 CA HIS A 43 0.251 -8.341 6.825 1.00 0.00 C ATOM 647 C HIS A 43 0.760 -9.691 6.318 1.00 0.00 C ATOM 648 O HIS A 43 1.251 -10.504 7.077 1.00 0.00 O ATOM 649 CB HIS A 43 -0.783 -8.567 7.928 1.00 0.00 C ATOM 650 CG HIS A 43 -0.305 -7.928 9.201 1.00 0.00 C ATOM 651 ND1 HIS A 43 0.141 -8.673 10.281 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.196 -6.614 9.582 1.00 0.00 C ATOM 653 CE1 HIS A 43 0.495 -7.811 11.250 1.00 0.00 C ATOM 654 NE2 HIS A 43 0.309 -6.542 10.876 1.00 0.00 N ATOM 0 H HIS A 43 -1.386 -7.713 5.607 1.00 0.00 H new ATOM 0 HA HIS A 43 1.088 -7.767 7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.743 -8.143 7.634 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.940 -9.635 8.081 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.462 -5.765 8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.882 -8.108 12.213 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.497 -5.701 11.422 1.00 0.00 H new ATOM 662 N ARG A 44 0.644 -9.941 5.042 1.00 0.00 N ATOM 663 CA ARG A 44 1.121 -11.244 4.494 1.00 0.00 C ATOM 664 C ARG A 44 2.094 -10.996 3.335 1.00 0.00 C ATOM 665 O ARG A 44 2.887 -11.848 2.990 1.00 0.00 O ATOM 666 CB ARG A 44 -0.076 -12.052 3.989 1.00 0.00 C ATOM 667 CG ARG A 44 -1.151 -12.115 5.075 1.00 0.00 C ATOM 668 CD ARG A 44 -2.152 -13.221 4.734 1.00 0.00 C ATOM 669 NE ARG A 44 -3.535 -12.667 4.757 1.00 0.00 N ATOM 670 CZ ARG A 44 -4.487 -13.317 5.368 1.00 0.00 C ATOM 671 NH1 ARG A 44 -5.260 -14.126 4.696 1.00 0.00 N ATOM 672 NH2 ARG A 44 -4.669 -13.157 6.650 1.00 0.00 N ATOM 0 H ARG A 44 0.241 -9.302 4.357 1.00 0.00 H new ATOM 0 HA ARG A 44 1.633 -11.799 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.482 -11.593 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.241 -13.059 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.693 -12.310 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.663 -11.156 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.931 -13.635 3.750 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.065 -14.038 5.450 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.737 -11.780 4.295 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.120 -14.250 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.004 -14.634 5.174 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.067 -12.523 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.414 -13.666 7.127 1.00 0.00 H new ATOM 686 N ILE A 45 2.036 -9.842 2.727 1.00 0.00 N ATOM 687 CA ILE A 45 2.955 -9.552 1.590 1.00 0.00 C ATOM 688 C ILE A 45 4.232 -8.886 2.114 1.00 0.00 C ATOM 689 O ILE A 45 5.330 -9.310 1.812 1.00 0.00 O ATOM 690 CB ILE A 45 2.251 -8.619 0.596 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.259 -9.428 -0.241 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.280 -7.968 -0.331 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.099 -8.528 -0.668 1.00 0.00 C ATOM 0 H ILE A 45 1.392 -9.088 2.968 1.00 0.00 H new ATOM 0 HA ILE A 45 3.221 -10.483 1.089 1.00 0.00 H new ATOM 0 HB ILE A 45 1.724 -7.841 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.757 -9.838 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.884 -10.273 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.771 -7.308 -1.033 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.989 -7.390 0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.814 -8.742 -0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.608 -9.104 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.405 -8.139 0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.482 -7.698 -1.261 1.00 0.00 H new ATOM 705 N ARG A 46 4.099 -7.845 2.890 1.00 0.00 N ATOM 706 CA ARG A 46 5.308 -7.154 3.424 1.00 0.00 C ATOM 707 C ARG A 46 5.953 -8.006 4.519 1.00 0.00 C ATOM 708 O ARG A 46 6.985 -7.661 5.061 1.00 0.00 O ATOM 709 CB ARG A 46 4.907 -5.797 4.006 1.00 0.00 C ATOM 710 CG ARG A 46 6.139 -4.895 4.092 1.00 0.00 C ATOM 711 CD ARG A 46 6.104 -4.098 5.398 1.00 0.00 C ATOM 712 NE ARG A 46 7.492 -3.932 5.916 1.00 0.00 N ATOM 713 CZ ARG A 46 8.094 -4.930 6.505 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.530 -5.528 7.517 1.00 0.00 N ATOM 715 NH2 ARG A 46 9.262 -5.328 6.080 1.00 0.00 N ATOM 0 H ARG A 46 3.207 -7.443 3.177 1.00 0.00 H new ATOM 0 HA ARG A 46 6.023 -7.008 2.614 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.145 -5.332 3.380 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.470 -5.929 4.996 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.046 -5.497 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.164 -4.215 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.648 -3.122 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.489 -4.614 6.135 1.00 0.00 H new ATOM 0 HE ARG A 46 7.972 -3.038 5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.617 -5.216 7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.001 -6.307 7.976 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.704 -4.860 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.733 -6.107 6.539 1.00 0.00 H new ATOM 729 N THR A 47 5.355 -9.117 4.852 1.00 0.00 N ATOM 730 CA THR A 47 5.939 -9.987 5.914 1.00 0.00 C ATOM 731 C THR A 47 6.094 -11.412 5.379 1.00 0.00 C ATOM 732 O THR A 47 7.172 -11.974 5.388 1.00 0.00 O ATOM 733 CB THR A 47 5.028 -9.997 7.150 1.00 0.00 C ATOM 734 OG1 THR A 47 4.971 -11.313 7.683 1.00 0.00 O ATOM 735 CG2 THR A 47 3.615 -9.538 6.774 1.00 0.00 C ATOM 0 H THR A 47 4.489 -9.460 4.436 1.00 0.00 H new ATOM 0 HA THR A 47 6.916 -9.595 6.198 1.00 0.00 H new ATOM 0 HB THR A 47 5.435 -9.313 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.391 -11.321 8.473 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.981 -9.550 7.660 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.656 -8.526 6.371 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.202 -10.211 6.023 1.00 0.00 H new ATOM 743 N ASP A 48 5.029 -12.004 4.913 1.00 0.00 N ATOM 744 CA ASP A 48 5.123 -13.393 4.381 1.00 0.00 C ATOM 745 C ASP A 48 5.708 -13.359 2.967 1.00 0.00 C ATOM 746 O ASP A 48 6.133 -14.366 2.436 1.00 0.00 O ATOM 747 CB ASP A 48 3.729 -14.027 4.344 1.00 0.00 C ATOM 748 CG ASP A 48 3.693 -15.253 5.261 1.00 0.00 C ATOM 749 OD1 ASP A 48 4.677 -15.491 5.943 1.00 0.00 O ATOM 750 OD2 ASP A 48 2.682 -15.935 5.267 1.00 0.00 O ATOM 0 H ASP A 48 4.099 -11.587 4.878 1.00 0.00 H new ATOM 0 HA ASP A 48 5.770 -13.985 5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.981 -13.301 4.662 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.478 -14.317 3.324 1.00 0.00 H new ATOM 755 N GLU A 49 5.736 -12.207 2.352 1.00 0.00 N ATOM 756 CA GLU A 49 6.299 -12.112 0.974 1.00 0.00 C ATOM 757 C GLU A 49 7.378 -11.028 0.935 1.00 0.00 C ATOM 758 O GLU A 49 7.706 -10.428 1.941 1.00 0.00 O ATOM 759 CB GLU A 49 5.184 -11.754 -0.012 1.00 0.00 C ATOM 760 CG GLU A 49 5.313 -12.625 -1.264 1.00 0.00 C ATOM 761 CD GLU A 49 4.595 -13.957 -1.036 1.00 0.00 C ATOM 762 OE1 GLU A 49 4.257 -14.238 0.103 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.396 -14.673 -2.002 1.00 0.00 O ATOM 0 H GLU A 49 5.394 -11.329 2.743 1.00 0.00 H new ATOM 0 HA GLU A 49 6.736 -13.071 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.210 -11.907 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.246 -10.700 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.883 -12.111 -2.124 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.365 -12.801 -1.491 1.00 0.00 H new ATOM 770 N ASN A 50 7.936 -10.773 -0.217 1.00 0.00 N ATOM 771 CA ASN A 50 8.995 -9.728 -0.320 1.00 0.00 C ATOM 772 C ASN A 50 8.460 -8.400 0.224 1.00 0.00 C ATOM 773 O ASN A 50 9.037 -7.807 1.114 1.00 0.00 O ATOM 774 CB ASN A 50 9.397 -9.555 -1.787 1.00 0.00 C ATOM 775 CG ASN A 50 10.852 -9.087 -1.869 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.554 -9.076 -0.877 1.00 0.00 O ATOM 777 ND2 ASN A 50 11.337 -8.699 -3.017 1.00 0.00 N ATOM 0 H ASN A 50 7.704 -11.243 -1.092 1.00 0.00 H new ATOM 0 HA ASN A 50 9.864 -10.033 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.277 -10.498 -2.321 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.743 -8.829 -2.271 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.306 -8.386 -3.082 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.747 -8.708 -3.849 1.00 0.00 H new ATOM 784 N GLY A 51 7.361 -7.930 -0.302 1.00 0.00 N ATOM 785 CA GLY A 51 6.792 -6.643 0.188 1.00 0.00 C ATOM 786 C GLY A 51 6.814 -5.609 -0.940 1.00 0.00 C ATOM 787 O GLY A 51 7.053 -4.439 -0.717 1.00 0.00 O ATOM 0 H GLY A 51 6.834 -8.382 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.770 -6.795 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.368 -6.280 1.039 1.00 0.00 H new ATOM 791 N LEU A 52 6.568 -6.031 -2.150 1.00 0.00 N ATOM 792 CA LEU A 52 6.577 -5.070 -3.288 1.00 0.00 C ATOM 793 C LEU A 52 5.152 -4.873 -3.806 1.00 0.00 C ATOM 794 O LEU A 52 4.217 -5.479 -3.326 1.00 0.00 O ATOM 795 CB LEU A 52 7.451 -5.621 -4.415 1.00 0.00 C ATOM 796 CG LEU A 52 8.924 -5.485 -4.034 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.796 -5.920 -5.213 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.227 -4.025 -3.685 1.00 0.00 C ATOM 0 H LEU A 52 6.361 -6.998 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 52 6.976 -4.114 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.208 -6.667 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.253 -5.080 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 52 9.138 -6.116 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.848 -5.824 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.579 -6.959 -5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.584 -5.288 -6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.278 -3.927 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.015 -3.393 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.604 -3.715 -2.846 1.00 0.00 H new ATOM 810 N CYS A 53 4.986 -4.032 -4.786 1.00 0.00 N ATOM 811 CA CYS A 53 3.627 -3.784 -5.347 1.00 0.00 C ATOM 812 C CYS A 53 3.365 -4.759 -6.503 1.00 0.00 C ATOM 813 O CYS A 53 4.085 -4.753 -7.483 1.00 0.00 O ATOM 814 CB CYS A 53 3.555 -2.349 -5.868 1.00 0.00 C ATOM 815 SG CYS A 53 1.874 -1.980 -6.425 1.00 0.00 S ATOM 0 H CYS A 53 5.737 -3.501 -5.227 1.00 0.00 H new ATOM 0 HA CYS A 53 2.877 -3.933 -4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.848 -1.653 -5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 53 4.258 -2.216 -6.691 1.00 0.00 H new ATOM 820 N PRO A 54 2.344 -5.567 -6.360 1.00 0.00 N ATOM 821 CA PRO A 54 1.969 -6.556 -7.387 1.00 0.00 C ATOM 822 C PRO A 54 1.199 -5.883 -8.530 1.00 0.00 C ATOM 823 O PRO A 54 0.637 -6.543 -9.380 1.00 0.00 O ATOM 824 CB PRO A 54 1.065 -7.532 -6.629 1.00 0.00 C ATOM 825 CG PRO A 54 0.516 -6.760 -5.406 1.00 0.00 C ATOM 826 CD PRO A 54 1.471 -5.576 -5.169 1.00 0.00 C ATOM 0 HA PRO A 54 2.830 -7.041 -7.846 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.251 -7.881 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.624 -8.413 -6.313 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.498 -6.408 -5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.473 -7.405 -4.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.925 -4.638 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.048 -5.708 -4.254 1.00 0.00 H new ATOM 834 N ALA A 55 1.160 -4.577 -8.554 1.00 0.00 N ATOM 835 CA ALA A 55 0.415 -3.881 -9.640 1.00 0.00 C ATOM 836 C ALA A 55 1.356 -2.960 -10.426 1.00 0.00 C ATOM 837 O ALA A 55 1.207 -2.788 -11.620 1.00 0.00 O ATOM 838 CB ALA A 55 -0.715 -3.051 -9.030 1.00 0.00 C ATOM 0 H ALA A 55 1.610 -3.966 -7.872 1.00 0.00 H new ATOM 0 HA ALA A 55 0.002 -4.627 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.261 -2.541 -9.824 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.395 -3.706 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.296 -2.313 -8.346 1.00 0.00 H new ATOM 844 N CYS A 56 2.316 -2.355 -9.776 1.00 0.00 N ATOM 845 CA CYS A 56 3.239 -1.443 -10.512 1.00 0.00 C ATOM 846 C CYS A 56 4.701 -1.839 -10.251 1.00 0.00 C ATOM 847 O CYS A 56 5.603 -1.370 -10.915 1.00 0.00 O ATOM 848 CB CYS A 56 2.987 0.009 -10.069 1.00 0.00 C ATOM 849 SG CYS A 56 3.885 0.382 -8.538 1.00 0.00 S ATOM 0 H CYS A 56 2.499 -2.452 -8.777 1.00 0.00 H new ATOM 0 HA CYS A 56 3.049 -1.527 -11.582 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.302 0.694 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.919 0.167 -9.917 1.00 0.00 H new ATOM 854 N ARG A 57 4.941 -2.693 -9.291 1.00 0.00 N ATOM 855 CA ARG A 57 6.343 -3.112 -8.991 1.00 0.00 C ATOM 856 C ARG A 57 7.061 -2.000 -8.222 1.00 0.00 C ATOM 857 O ARG A 57 7.900 -1.302 -8.755 1.00 0.00 O ATOM 858 CB ARG A 57 7.094 -3.395 -10.298 1.00 0.00 C ATOM 859 CG ARG A 57 6.203 -4.202 -11.247 1.00 0.00 C ATOM 860 CD ARG A 57 6.516 -5.692 -11.100 1.00 0.00 C ATOM 861 NE ARG A 57 6.200 -6.394 -12.377 1.00 0.00 N ATOM 862 CZ ARG A 57 6.924 -6.175 -13.441 1.00 0.00 C ATOM 863 NH1 ARG A 57 6.491 -5.369 -14.370 1.00 0.00 N ATOM 864 NH2 ARG A 57 8.079 -6.765 -13.575 1.00 0.00 N ATOM 0 H ARG A 57 4.226 -3.119 -8.701 1.00 0.00 H new ATOM 0 HA ARG A 57 6.321 -4.018 -8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.387 -2.457 -10.770 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.011 -3.946 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.153 -4.017 -11.022 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.369 -3.885 -12.276 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.567 -5.831 -10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.933 -6.118 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 57 5.417 -7.046 -12.419 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.586 -4.909 -14.265 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.057 -5.198 -15.201 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.416 -7.397 -12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.645 -6.595 -14.406 1.00 0.00 H new ATOM 878 N LYS A 58 6.738 -1.836 -6.969 1.00 0.00 N ATOM 879 CA LYS A 58 7.396 -0.778 -6.150 1.00 0.00 C ATOM 880 C LYS A 58 7.395 -1.214 -4.680 1.00 0.00 C ATOM 881 O LYS A 58 6.471 -1.860 -4.229 1.00 0.00 O ATOM 882 CB LYS A 58 6.626 0.537 -6.295 1.00 0.00 C ATOM 883 CG LYS A 58 6.936 1.168 -7.655 1.00 0.00 C ATOM 884 CD LYS A 58 8.396 1.628 -7.687 1.00 0.00 C ATOM 885 CE LYS A 58 8.594 2.619 -8.835 1.00 0.00 C ATOM 886 NZ LYS A 58 9.733 2.173 -9.686 1.00 0.00 N ATOM 0 H LYS A 58 6.042 -2.393 -6.474 1.00 0.00 H new ATOM 0 HA LYS A 58 8.421 -0.632 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.555 0.355 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.903 1.222 -5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.754 0.447 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.273 2.015 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.662 2.096 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.056 0.770 -7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.685 2.686 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.790 3.616 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.868 2.847 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.599 2.130 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.528 1.230 -10.074 1.00 0.00 H new ATOM 900 N PRO A 59 8.433 -0.852 -3.975 1.00 0.00 N ATOM 901 CA PRO A 59 8.584 -1.203 -2.551 1.00 0.00 C ATOM 902 C PRO A 59 7.666 -0.343 -1.676 1.00 0.00 C ATOM 903 O PRO A 59 7.687 0.871 -1.739 1.00 0.00 O ATOM 904 CB PRO A 59 10.059 -0.910 -2.264 1.00 0.00 C ATOM 905 CG PRO A 59 10.524 0.094 -3.345 1.00 0.00 C ATOM 906 CD PRO A 59 9.548 -0.054 -4.528 1.00 0.00 C ATOM 0 HA PRO A 59 8.311 -2.236 -2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.184 -0.491 -1.266 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.651 -1.824 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.513 1.113 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.547 -0.118 -3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.205 0.917 -4.886 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.018 -0.557 -5.373 1.00 0.00 H new ATOM 914 N TYR A 60 6.857 -0.967 -0.860 1.00 0.00 N ATOM 915 CA TYR A 60 5.933 -0.193 0.022 1.00 0.00 C ATOM 916 C TYR A 60 6.737 0.783 0.886 1.00 0.00 C ATOM 917 O TYR A 60 7.890 0.538 1.183 1.00 0.00 O ATOM 918 CB TYR A 60 5.173 -1.150 0.946 1.00 0.00 C ATOM 919 CG TYR A 60 4.435 -2.204 0.146 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.395 -2.144 -1.254 1.00 0.00 C ATOM 921 CD2 TYR A 60 3.781 -3.244 0.819 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.701 -3.123 -1.977 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.090 -4.221 0.096 1.00 0.00 C ATOM 924 CZ TYR A 60 3.048 -4.162 -1.301 1.00 0.00 C ATOM 925 OH TYR A 60 2.358 -5.125 -2.009 1.00 0.00 O ATOM 0 H TYR A 60 6.796 -1.981 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 60 5.230 0.356 -0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.871 -1.631 1.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.465 -0.588 1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.899 -1.343 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 60 3.811 -3.291 1.898 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.669 -3.077 -3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.588 -5.023 0.617 1.00 0.00 H new ATOM 0 HH TYR A 60 2.994 -5.718 -2.460 1.00 0.00 H new ATOM 935 N PRO A 61 6.097 1.858 1.275 1.00 0.00 N ATOM 936 CA PRO A 61 6.723 2.890 2.121 1.00 0.00 C ATOM 937 C PRO A 61 6.739 2.438 3.588 1.00 0.00 C ATOM 938 O PRO A 61 5.707 2.182 4.177 1.00 0.00 O ATOM 939 CB PRO A 61 5.814 4.106 1.936 1.00 0.00 C ATOM 940 CG PRO A 61 4.440 3.560 1.473 1.00 0.00 C ATOM 941 CD PRO A 61 4.693 2.152 0.903 1.00 0.00 C ATOM 0 HA PRO A 61 7.759 3.095 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.716 4.663 2.868 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.228 4.792 1.197 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.739 3.520 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.000 4.210 0.717 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.006 1.420 1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.554 2.129 -0.178 1.00 0.00 H new ATOM 949 N GLU A 62 7.899 2.338 4.180 1.00 0.00 N ATOM 950 CA GLU A 62 7.974 1.903 5.608 1.00 0.00 C ATOM 951 C GLU A 62 8.687 2.976 6.435 1.00 0.00 C ATOM 952 O GLU A 62 8.332 3.239 7.566 1.00 0.00 O ATOM 953 CB GLU A 62 8.748 0.584 5.705 1.00 0.00 C ATOM 954 CG GLU A 62 9.781 0.505 4.578 1.00 0.00 C ATOM 955 CD GLU A 62 10.527 -0.828 4.660 1.00 0.00 C ATOM 956 OE1 GLU A 62 11.500 -0.896 5.394 1.00 0.00 O ATOM 957 OE2 GLU A 62 10.115 -1.758 3.988 1.00 0.00 O ATOM 0 H GLU A 62 8.797 2.538 3.739 1.00 0.00 H new ATOM 0 HA GLU A 62 6.965 1.759 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.246 0.514 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.059 -0.258 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.287 0.598 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.485 1.333 4.657 1.00 0.00 H new ATOM 964 N ASP A 63 9.690 3.598 5.878 1.00 0.00 N ATOM 965 CA ASP A 63 10.423 4.655 6.630 1.00 0.00 C ATOM 966 C ASP A 63 10.948 5.699 5.640 1.00 0.00 C ATOM 967 O ASP A 63 12.097 5.656 5.247 1.00 0.00 O ATOM 968 CB ASP A 63 11.599 4.027 7.384 1.00 0.00 C ATOM 969 CG ASP A 63 12.126 5.020 8.421 1.00 0.00 C ATOM 970 OD1 ASP A 63 11.646 6.141 8.439 1.00 0.00 O ATOM 971 OD2 ASP A 63 13.003 4.642 9.182 1.00 0.00 O ATOM 0 H ASP A 63 10.033 3.420 4.934 1.00 0.00 H new ATOM 0 HA ASP A 63 9.751 5.130 7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.281 3.107 7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.392 3.759 6.685 1.00 0.00 H new ATOM 976 N PRO A 64 10.082 6.603 5.262 1.00 0.00 N ATOM 977 CA PRO A 64 10.417 7.674 4.308 1.00 0.00 C ATOM 978 C PRO A 64 11.212 8.787 4.997 1.00 0.00 C ATOM 979 O PRO A 64 11.625 9.743 4.370 1.00 0.00 O ATOM 980 CB PRO A 64 9.050 8.184 3.848 1.00 0.00 C ATOM 981 CG PRO A 64 8.041 7.791 4.954 1.00 0.00 C ATOM 982 CD PRO A 64 8.687 6.642 5.750 1.00 0.00 C ATOM 0 HA PRO A 64 11.040 7.329 3.483 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.067 9.264 3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.771 7.740 2.893 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.827 8.640 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.093 7.476 4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.645 6.828 6.823 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.176 5.696 5.571 1.00 0.00 H new ATOM 990 N ALA A 65 11.431 8.675 6.279 1.00 0.00 N ATOM 991 CA ALA A 65 12.200 9.734 6.990 1.00 0.00 C ATOM 992 C ALA A 65 12.107 9.520 8.503 1.00 0.00 C ATOM 993 O ALA A 65 11.068 9.706 9.104 1.00 0.00 O ATOM 994 CB ALA A 65 11.623 11.107 6.635 1.00 0.00 C ATOM 0 H ALA A 65 11.113 7.901 6.861 1.00 0.00 H new ATOM 0 HA ALA A 65 13.245 9.684 6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.185 11.883 7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.696 11.265 5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.577 11.152 6.938 1.00 0.00 H new ATOM 1000 N VAL A 66 13.191 9.138 9.122 1.00 0.00 N ATOM 1001 CA VAL A 66 13.171 8.921 10.596 1.00 0.00 C ATOM 1002 C VAL A 66 14.393 9.596 11.226 1.00 0.00 C ATOM 1003 O VAL A 66 14.333 10.101 12.329 1.00 0.00 O ATOM 1004 CB VAL A 66 13.202 7.421 10.898 1.00 0.00 C ATOM 1005 CG1 VAL A 66 14.564 6.847 10.507 1.00 0.00 C ATOM 1006 CG2 VAL A 66 12.968 7.203 12.396 1.00 0.00 C ATOM 0 H VAL A 66 14.089 8.967 8.670 1.00 0.00 H new ATOM 0 HA VAL A 66 12.261 9.352 11.013 1.00 0.00 H new ATOM 0 HB VAL A 66 12.421 6.918 10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.584 5.779 10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 66 14.733 7.005 9.442 1.00 0.00 H new ATOM 0 HG13 VAL A 66 15.347 7.347 11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.989 6.136 12.616 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.751 7.706 12.964 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.997 7.612 12.676 1.00 0.00 H new ATOM 1016 N TYR A 67 15.502 9.609 10.536 1.00 0.00 N ATOM 1017 CA TYR A 67 16.723 10.252 11.099 1.00 0.00 C ATOM 1018 C TYR A 67 17.792 10.361 10.009 1.00 0.00 C ATOM 1019 O TYR A 67 18.265 9.370 9.489 1.00 0.00 O ATOM 1020 CB TYR A 67 17.258 9.407 12.255 1.00 0.00 C ATOM 1021 CG TYR A 67 17.712 10.315 13.374 1.00 0.00 C ATOM 1022 CD1 TYR A 67 16.893 11.369 13.794 1.00 0.00 C ATOM 1023 CD2 TYR A 67 18.949 10.099 13.992 1.00 0.00 C ATOM 1024 CE1 TYR A 67 17.312 12.210 14.832 1.00 0.00 C ATOM 1025 CE2 TYR A 67 19.369 10.941 15.030 1.00 0.00 C ATOM 1026 CZ TYR A 67 18.550 11.996 15.450 1.00 0.00 C ATOM 1027 OH TYR A 67 18.963 12.825 16.473 1.00 0.00 O ATOM 0 H TYR A 67 15.615 9.202 9.607 1.00 0.00 H new ATOM 0 HA TYR A 67 16.473 11.248 11.463 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.483 8.730 12.614 1.00 0.00 H new ATOM 0 HB3 TYR A 67 18.089 8.789 11.914 1.00 0.00 H new ATOM 0 HD1 TYR A 67 15.938 11.534 13.318 1.00 0.00 H new ATOM 0 HD2 TYR A 67 19.579 9.284 13.669 1.00 0.00 H new ATOM 0 HE1 TYR A 67 16.680 13.024 15.156 1.00 0.00 H new ATOM 0 HE2 TYR A 67 20.324 10.776 15.506 1.00 0.00 H new ATOM 0 HH TYR A 67 19.844 12.537 16.792 1.00 0.00 H new ATOM 1037 N LYS A 68 18.176 11.559 9.658 1.00 0.00 N ATOM 1038 CA LYS A 68 19.214 11.730 8.601 1.00 0.00 C ATOM 1039 C LYS A 68 20.606 11.690 9.240 1.00 0.00 C ATOM 1040 O LYS A 68 20.759 11.993 10.407 1.00 0.00 O ATOM 1041 CB LYS A 68 19.013 13.078 7.903 1.00 0.00 C ATOM 1042 CG LYS A 68 17.607 13.137 7.299 1.00 0.00 C ATOM 1043 CD LYS A 68 17.324 14.559 6.808 1.00 0.00 C ATOM 1044 CE LYS A 68 18.301 14.915 5.686 1.00 0.00 C ATOM 1045 NZ LYS A 68 17.559 15.555 4.563 1.00 0.00 N ATOM 0 H LYS A 68 17.816 12.426 10.057 1.00 0.00 H new ATOM 0 HA LYS A 68 19.126 10.925 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.149 13.892 8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.762 13.210 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.525 12.432 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.867 12.843 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.298 14.633 6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.425 15.266 7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.070 15.591 6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.810 14.017 5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.224 15.797 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.841 14.895 4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.093 16.420 4.903 1.00 0.00 H new ATOM 1059 N PRO A 69 21.581 11.317 8.450 1.00 0.00 N ATOM 1060 CA PRO A 69 22.981 11.223 8.901 1.00 0.00 C ATOM 1061 C PRO A 69 23.623 12.615 8.953 1.00 0.00 C ATOM 1062 O PRO A 69 23.364 13.460 8.119 1.00 0.00 O ATOM 1063 CB PRO A 69 23.647 10.356 7.830 1.00 0.00 C ATOM 1064 CG PRO A 69 22.765 10.473 6.563 1.00 0.00 C ATOM 1065 CD PRO A 69 21.378 10.950 7.033 1.00 0.00 C ATOM 0 HA PRO A 69 23.080 10.806 9.903 1.00 0.00 H new ATOM 0 HB2 PRO A 69 24.662 10.698 7.629 1.00 0.00 H new ATOM 0 HB3 PRO A 69 23.719 9.319 8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 69 23.197 11.179 5.854 1.00 0.00 H new ATOM 0 HG3 PRO A 69 22.692 9.513 6.052 1.00 0.00 H new ATOM 0 HD2 PRO A 69 21.030 11.801 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 69 20.630 10.164 6.929 1.00 0.00 H new ATOM 1073 N LEU A 70 24.458 12.858 9.927 1.00 0.00 N ATOM 1074 CA LEU A 70 25.116 14.192 10.033 1.00 0.00 C ATOM 1075 C LEU A 70 26.374 14.213 9.161 1.00 0.00 C ATOM 1076 O LEU A 70 27.464 13.935 9.621 1.00 0.00 O ATOM 1077 CB LEU A 70 25.503 14.452 11.491 1.00 0.00 C ATOM 1078 CG LEU A 70 25.155 15.894 11.864 1.00 0.00 C ATOM 1079 CD1 LEU A 70 23.704 15.962 12.341 1.00 0.00 C ATOM 1080 CD2 LEU A 70 26.082 16.367 12.985 1.00 0.00 C ATOM 0 H LEU A 70 24.713 12.190 10.654 1.00 0.00 H new ATOM 0 HA LEU A 70 24.427 14.965 9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.976 13.759 12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 70 26.570 14.276 11.632 1.00 0.00 H new ATOM 0 HG LEU A 70 25.281 16.535 10.992 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.456 16.990 12.607 1.00 0.00 H new ATOM 0 HD12 LEU A 70 23.043 15.624 11.543 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.577 15.321 13.213 1.00 0.00 H new ATOM 0 HD21 LEU A 70 25.835 17.395 13.252 1.00 0.00 H new ATOM 0 HD22 LEU A 70 25.955 15.725 13.857 1.00 0.00 H new ATOM 0 HD23 LEU A 70 27.117 16.319 12.646 1.00 0.00 H new ATOM 1092 N SER A 71 26.231 14.541 7.905 1.00 0.00 N ATOM 1093 CA SER A 71 27.418 14.578 7.003 1.00 0.00 C ATOM 1094 C SER A 71 27.995 15.996 6.977 1.00 0.00 C ATOM 1095 O SER A 71 28.460 16.468 5.957 1.00 0.00 O ATOM 1096 CB SER A 71 26.997 14.174 5.590 1.00 0.00 C ATOM 1097 OG SER A 71 25.647 14.565 5.370 1.00 0.00 O ATOM 0 H SER A 71 25.344 14.785 7.465 1.00 0.00 H new ATOM 0 HA SER A 71 28.175 13.884 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 71 27.649 14.647 4.855 1.00 0.00 H new ATOM 0 HB3 SER A 71 27.101 13.097 5.462 1.00 0.00 H new ATOM 0 HG SER A 71 25.376 14.308 4.464 1.00 0.00 H new ATOM 1103 N GLN A 72 27.971 16.678 8.088 1.00 0.00 N ATOM 1104 CA GLN A 72 28.519 18.063 8.124 1.00 0.00 C ATOM 1105 C GLN A 72 29.053 18.366 9.526 1.00 0.00 C ATOM 1106 O GLN A 72 28.525 19.200 10.235 1.00 0.00 O ATOM 1107 CB GLN A 72 27.410 19.059 7.773 1.00 0.00 C ATOM 1108 CG GLN A 72 27.622 19.580 6.349 1.00 0.00 C ATOM 1109 CD GLN A 72 26.383 19.281 5.503 1.00 0.00 C ATOM 1110 OE1 GLN A 72 25.292 19.155 6.024 1.00 0.00 O ATOM 1111 NE2 GLN A 72 26.504 19.162 4.209 1.00 0.00 N ATOM 0 H GLN A 72 27.596 16.336 8.973 1.00 0.00 H new ATOM 0 HA GLN A 72 29.330 18.152 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 72 26.435 18.578 7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 72 27.415 19.889 8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 72 27.811 20.653 6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 72 28.500 19.109 5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 72 27.419 19.268 3.770 1.00 0.00 H new ATOM 0 HE22 GLN A 72 25.684 18.964 3.636 1.00 0.00 H new ATOM 1120 N GLU A 73 30.095 17.695 9.932 1.00 0.00 N ATOM 1121 CA GLU A 73 30.662 17.943 11.288 1.00 0.00 C ATOM 1122 C GLU A 73 32.046 17.298 11.388 1.00 0.00 C ATOM 1123 O GLU A 73 32.216 16.262 11.999 1.00 0.00 O ATOM 1124 CB GLU A 73 29.738 17.336 12.348 1.00 0.00 C ATOM 1125 CG GLU A 73 29.319 15.928 11.918 1.00 0.00 C ATOM 1126 CD GLU A 73 30.136 14.893 12.691 1.00 0.00 C ATOM 1127 OE1 GLU A 73 30.237 15.028 13.900 1.00 0.00 O ATOM 1128 OE2 GLU A 73 30.648 13.982 12.062 1.00 0.00 O ATOM 0 H GLU A 73 30.579 16.985 9.383 1.00 0.00 H new ATOM 0 HA GLU A 73 30.748 19.017 11.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.248 17.297 13.310 1.00 0.00 H new ATOM 0 HB3 GLU A 73 28.857 17.964 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 73 28.255 15.781 12.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.474 15.802 10.846 1.00 0.00 H new ATOM 1135 N GLU A 74 33.037 17.904 10.792 1.00 0.00 N ATOM 1136 CA GLU A 74 34.410 17.328 10.852 1.00 0.00 C ATOM 1137 C GLU A 74 34.747 16.964 12.299 1.00 0.00 C ATOM 1138 O GLU A 74 34.250 17.562 13.233 1.00 0.00 O ATOM 1139 CB GLU A 74 35.416 18.359 10.339 1.00 0.00 C ATOM 1140 CG GLU A 74 35.546 18.236 8.820 1.00 0.00 C ATOM 1141 CD GLU A 74 35.583 19.631 8.195 1.00 0.00 C ATOM 1142 OE1 GLU A 74 36.478 20.387 8.536 1.00 0.00 O ATOM 1143 OE2 GLU A 74 34.716 19.921 7.387 1.00 0.00 O ATOM 0 H GLU A 74 32.954 18.774 10.266 1.00 0.00 H new ATOM 0 HA GLU A 74 34.457 16.433 10.232 1.00 0.00 H new ATOM 0 HB2 GLU A 74 35.090 19.364 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 36.386 18.202 10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 74 36.453 17.688 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 74 34.707 17.668 8.418 1.00 0.00 H new ATOM 1150 N LEU A 75 35.591 15.987 12.492 1.00 0.00 N ATOM 1151 CA LEU A 75 35.962 15.584 13.878 1.00 0.00 C ATOM 1152 C LEU A 75 37.161 14.634 13.826 1.00 0.00 C ATOM 1153 O LEU A 75 38.299 15.049 13.922 1.00 0.00 O ATOM 1154 CB LEU A 75 34.777 14.875 14.539 1.00 0.00 C ATOM 1155 CG LEU A 75 34.163 15.789 15.602 1.00 0.00 C ATOM 1156 CD1 LEU A 75 32.658 15.526 15.698 1.00 0.00 C ATOM 1157 CD2 LEU A 75 34.814 15.505 16.957 1.00 0.00 C ATOM 0 H LEU A 75 36.040 15.451 11.749 1.00 0.00 H new ATOM 0 HA LEU A 75 36.223 16.470 14.457 1.00 0.00 H new ATOM 0 HB2 LEU A 75 34.029 14.618 13.789 1.00 0.00 H new ATOM 0 HB3 LEU A 75 35.106 13.941 14.994 1.00 0.00 H new ATOM 0 HG LEU A 75 34.333 16.829 15.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 32.222 16.178 16.455 1.00 0.00 H new ATOM 0 HD12 LEU A 75 32.191 15.728 14.734 1.00 0.00 H new ATOM 0 HD13 LEU A 75 32.487 14.485 15.973 1.00 0.00 H new ATOM 0 HD21 LEU A 75 34.377 16.156 17.714 1.00 0.00 H new ATOM 0 HD22 LEU A 75 34.644 14.464 17.231 1.00 0.00 H new ATOM 0 HD23 LEU A 75 35.886 15.693 16.892 1.00 0.00 H new ATOM 1169 N GLN A 76 36.917 13.362 13.672 1.00 0.00 N ATOM 1170 CA GLN A 76 38.043 12.388 13.614 1.00 0.00 C ATOM 1171 C GLN A 76 38.449 12.164 12.156 1.00 0.00 C ATOM 1172 O GLN A 76 39.493 12.604 11.718 1.00 0.00 O ATOM 1173 CB GLN A 76 37.606 11.059 14.232 1.00 0.00 C ATOM 1174 CG GLN A 76 37.660 11.164 15.757 1.00 0.00 C ATOM 1175 CD GLN A 76 36.301 11.628 16.285 1.00 0.00 C ATOM 1176 OE1 GLN A 76 36.211 12.626 16.973 1.00 0.00 O ATOM 1177 NE2 GLN A 76 35.231 10.940 15.990 1.00 0.00 N ATOM 0 H GLN A 76 35.986 12.955 13.584 1.00 0.00 H new ATOM 0 HA GLN A 76 38.892 12.784 14.172 1.00 0.00 H new ATOM 0 HB2 GLN A 76 36.595 10.811 13.909 1.00 0.00 H new ATOM 0 HB3 GLN A 76 38.257 10.255 13.889 1.00 0.00 H new ATOM 0 HG2 GLN A 76 37.920 10.198 16.190 1.00 0.00 H new ATOM 0 HG3 GLN A 76 38.438 11.867 16.056 1.00 0.00 H new ATOM 0 HE21 GLN A 76 35.306 10.102 15.413 1.00 0.00 H new ATOM 0 HE22 GLN A 76 34.320 11.240 16.337 1.00 0.00 H new ATOM 1186 N ARG A 77 37.634 11.480 11.401 1.00 0.00 N ATOM 1187 CA ARG A 77 37.982 11.230 9.975 1.00 0.00 C ATOM 1188 C ARG A 77 36.897 11.822 9.067 1.00 0.00 C ATOM 1189 O ARG A 77 36.889 13.006 8.792 1.00 0.00 O ATOM 1190 CB ARG A 77 38.095 9.723 9.737 1.00 0.00 C ATOM 1191 CG ARG A 77 39.232 9.156 10.589 1.00 0.00 C ATOM 1192 CD ARG A 77 38.962 7.678 10.877 1.00 0.00 C ATOM 1193 NE ARG A 77 40.031 6.848 10.253 1.00 0.00 N ATOM 1194 CZ ARG A 77 41.280 7.208 10.354 1.00 0.00 C ATOM 1195 NH1 ARG A 77 41.825 7.939 9.421 1.00 0.00 N ATOM 1196 NH2 ARG A 77 41.983 6.840 11.389 1.00 0.00 N ATOM 0 H ARG A 77 36.745 11.085 11.709 1.00 0.00 H new ATOM 0 HA ARG A 77 38.936 11.704 9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 77 37.156 9.232 9.992 1.00 0.00 H new ATOM 0 HB3 ARG A 77 38.283 9.524 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 77 40.183 9.269 10.068 1.00 0.00 H new ATOM 0 HG3 ARG A 77 39.313 9.711 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 77 38.934 7.505 11.953 1.00 0.00 H new ATOM 0 HD3 ARG A 77 37.987 7.392 10.482 1.00 0.00 H new ATOM 0 HE ARG A 77 39.785 5.997 9.746 1.00 0.00 H new ATOM 0 HH11 ARG A 77 41.274 8.229 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 77 42.802 8.221 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 77 41.556 6.271 12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 77 42.960 7.122 11.468 1.00 0.00 H new ATOM 1210 N ILE A 78 35.982 11.015 8.597 1.00 0.00 N ATOM 1211 CA ILE A 78 34.908 11.542 7.708 1.00 0.00 C ATOM 1212 C ILE A 78 33.599 10.804 8.004 1.00 0.00 C ATOM 1213 O ILE A 78 33.666 9.645 8.378 1.00 0.00 O ATOM 1214 CB ILE A 78 35.306 11.316 6.248 1.00 0.00 C ATOM 1215 CG1 ILE A 78 34.090 11.532 5.342 1.00 0.00 C ATOM 1216 CG2 ILE A 78 35.819 9.886 6.076 1.00 0.00 C ATOM 1217 CD1 ILE A 78 34.558 11.950 3.948 1.00 0.00 C ATOM 1218 OXT ILE A 78 32.553 11.412 7.849 1.00 0.00 O ATOM 0 H ILE A 78 35.933 10.015 8.791 1.00 0.00 H new ATOM 0 HA ILE A 78 34.771 12.609 7.886 1.00 0.00 H new ATOM 0 HB ILE A 78 36.090 12.022 5.975 1.00 0.00 H new ATOM 0 HG12 ILE A 78 33.502 10.616 5.280 1.00 0.00 H new ATOM 0 HG13 ILE A 78 33.441 12.299 5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 78 36.103 9.724 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 78 36.687 9.731 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 78 35.034 9.182 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 78 33.692 12.103 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 78 35.127 12.877 4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 78 35.189 11.168 3.526 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.198 -7.631 1.457 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.316 0.232 -6.860 1.00 0.00 ZN