USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 434 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 Set 1.1: A 48 THR OG1 : rot 180:sc= 0.302 USER MOD Set 1.2: A 50 THR OG1 : rot 65:sc= 0.317 USER MOD Set 2.1: A 31 GLN : amide:sc= 0 K(o=0.68,f=-1.4!) USER MOD Set 2.2: A 33 TYR OH : rot -19:sc= 0.677 USER MOD Set 3.1: A 8 TYR OH : rot -174:sc= 0.0454! USER MOD Set 3.2: A 16 TYR OH : rot 159:sc= -1.72! USER MOD Single : A 4 MET CE :methyl -151:sc= -0.586 (180deg=-2.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= -0.0827 (180deg=-0.59) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -37:sc= 0.502 USER MOD Single : A 34 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.41) USER MOD Single : A 35 ASN : amide:sc= -7.35! C(o=-7.4!,f=-22!) USER MOD Single : A 38 MET CE :methyl -140:sc= -0.147 (180deg=-0.961) USER MOD Single : A 41 HIS : no HE2:sc= 0.699 K(o=0.7,f=-2.4!) USER MOD Single : A 43 ASN : amide:sc= -3.64! C(o=-3.6!,f=-5.6!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 ASN : amide:sc= -1.11 K(o=-1.1,f=-6.7!) USER MOD Single : A 51 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-4.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0541) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.967 -30.053 2.548 1.00 0.00 N ATOM 42 CA MET A 4 4.819 -30.614 1.178 1.00 0.00 C ATOM 43 C MET A 4 6.132 -30.405 0.422 1.00 0.00 C ATOM 44 O MET A 4 6.444 -31.114 -0.514 1.00 0.00 O ATOM 45 CB MET A 4 3.687 -29.892 0.445 1.00 0.00 C ATOM 46 CG MET A 4 2.434 -29.885 1.322 1.00 0.00 C ATOM 47 SD MET A 4 1.764 -31.562 1.432 1.00 0.00 S ATOM 48 CE MET A 4 1.632 -31.872 -0.345 1.00 0.00 C ATOM 0 HA MET A 4 4.584 -31.677 1.235 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.985 -28.870 0.210 1.00 0.00 H new ATOM 0 HB3 MET A 4 3.478 -30.389 -0.502 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.676 -29.513 2.317 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.687 -29.211 0.902 1.00 0.00 H new ATOM 0 HE1 MET A 4 0.816 -32.569 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 4 1.435 -30.934 -0.864 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.566 -32.300 -0.710 1.00 0.00 H new ATOM 58 N CYS A 5 6.905 -29.437 0.832 1.00 0.00 N ATOM 59 CA CYS A 5 8.203 -29.178 0.150 1.00 0.00 C ATOM 60 C CYS A 5 9.243 -30.173 0.664 1.00 0.00 C ATOM 61 O CYS A 5 10.271 -30.388 0.051 1.00 0.00 O ATOM 62 CB CYS A 5 8.664 -27.749 0.452 1.00 0.00 C ATOM 63 SG CYS A 5 7.317 -26.598 0.109 1.00 0.00 S ATOM 0 H CYS A 5 6.693 -28.814 1.611 1.00 0.00 H new ATOM 0 HA CYS A 5 8.084 -29.295 -0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.970 -27.667 1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 5 9.534 -27.500 -0.156 1.00 0.00 H new ATOM 68 N LYS A 6 8.981 -30.788 1.785 1.00 0.00 N ATOM 69 CA LYS A 6 9.950 -31.776 2.334 1.00 0.00 C ATOM 70 C LYS A 6 9.772 -33.119 1.619 1.00 0.00 C ATOM 71 O LYS A 6 10.345 -34.118 2.006 1.00 0.00 O ATOM 72 CB LYS A 6 9.699 -31.962 3.833 1.00 0.00 C ATOM 73 CG LYS A 6 9.565 -30.593 4.504 1.00 0.00 C ATOM 74 CD LYS A 6 9.789 -30.742 6.011 1.00 0.00 C ATOM 75 CE LYS A 6 9.995 -29.362 6.638 1.00 0.00 C ATOM 76 NZ LYS A 6 10.628 -29.514 7.978 1.00 0.00 N ATOM 0 H LYS A 6 8.139 -30.649 2.343 1.00 0.00 H new ATOM 0 HA LYS A 6 10.965 -31.411 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.792 -32.546 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.520 -32.520 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.291 -29.897 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.576 -30.176 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.932 -31.237 6.469 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.659 -31.372 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.625 -28.749 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.039 -28.847 6.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.768 -28.576 8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.011 -30.084 8.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.548 -29.988 7.876 1.00 0.00 H new ATOM 90 N ASP A 7 8.976 -33.155 0.582 1.00 0.00 N ATOM 91 CA ASP A 7 8.761 -34.437 -0.146 1.00 0.00 C ATOM 92 C ASP A 7 8.884 -34.209 -1.656 1.00 0.00 C ATOM 93 O ASP A 7 8.695 -35.114 -2.444 1.00 0.00 O ATOM 94 CB ASP A 7 7.365 -34.973 0.176 1.00 0.00 C ATOM 95 CG ASP A 7 7.321 -35.435 1.634 1.00 0.00 C ATOM 96 OD1 ASP A 7 8.369 -35.458 2.259 1.00 0.00 O ATOM 97 OD2 ASP A 7 6.242 -35.760 2.100 1.00 0.00 O ATOM 0 H ASP A 7 8.467 -32.353 0.210 1.00 0.00 H new ATOM 0 HA ASP A 7 9.515 -35.159 0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.618 -34.198 0.006 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.120 -35.803 -0.487 1.00 0.00 H new ATOM 102 N TYR A 8 9.199 -33.011 -2.070 1.00 0.00 N ATOM 103 CA TYR A 8 9.329 -32.744 -3.532 1.00 0.00 C ATOM 104 C TYR A 8 10.762 -32.293 -3.846 1.00 0.00 C ATOM 105 O TYR A 8 11.414 -31.660 -3.039 1.00 0.00 O ATOM 106 CB TYR A 8 8.311 -31.664 -3.952 1.00 0.00 C ATOM 107 CG TYR A 8 8.945 -30.288 -3.946 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.446 -29.751 -2.755 1.00 0.00 C ATOM 109 CD2 TYR A 8 9.036 -29.555 -5.136 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.035 -28.481 -2.752 1.00 0.00 C ATOM 111 CE2 TYR A 8 9.625 -28.286 -5.133 1.00 0.00 C ATOM 112 CZ TYR A 8 10.125 -27.748 -3.941 1.00 0.00 C ATOM 113 OH TYR A 8 10.707 -26.497 -3.938 1.00 0.00 O ATOM 0 H TYR A 8 9.371 -32.210 -1.463 1.00 0.00 H new ATOM 0 HA TYR A 8 9.121 -33.654 -4.094 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.928 -31.888 -4.948 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.459 -31.679 -3.272 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.378 -30.317 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.651 -29.970 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.420 -28.067 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 8 9.694 -27.721 -6.051 1.00 0.00 H new ATOM 0 HH TYR A 8 10.604 -26.086 -4.822 1.00 0.00 H new ATOM 123 N ARG A 9 11.249 -32.607 -5.014 1.00 0.00 N ATOM 124 CA ARG A 9 12.631 -32.189 -5.382 1.00 0.00 C ATOM 125 C ARG A 9 12.598 -31.494 -6.744 1.00 0.00 C ATOM 126 O ARG A 9 12.000 -31.980 -7.684 1.00 0.00 O ATOM 127 CB ARG A 9 13.537 -33.420 -5.455 1.00 0.00 C ATOM 128 CG ARG A 9 13.988 -33.804 -4.044 1.00 0.00 C ATOM 129 CD ARG A 9 15.083 -34.869 -4.131 1.00 0.00 C ATOM 130 NE ARG A 9 14.658 -35.944 -5.071 1.00 0.00 N ATOM 131 CZ ARG A 9 14.461 -37.157 -4.630 1.00 0.00 C ATOM 132 NH1 ARG A 9 13.253 -37.556 -4.336 1.00 0.00 N ATOM 133 NH2 ARG A 9 15.470 -37.970 -4.484 1.00 0.00 N ATOM 0 H ARG A 9 10.750 -33.135 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 9 13.020 -31.503 -4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.004 -34.251 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.404 -33.210 -6.081 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.361 -32.925 -3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.142 -34.183 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.015 -34.420 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.275 -35.290 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 9 14.521 -35.732 -6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 9 12.464 -36.920 -4.451 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.099 -38.504 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.414 -37.658 -4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.316 -38.918 -4.139 1.00 0.00 H new ATOM 147 N VAL A 10 13.229 -30.356 -6.860 1.00 0.00 N ATOM 148 CA VAL A 10 13.221 -29.635 -8.163 1.00 0.00 C ATOM 149 C VAL A 10 14.655 -29.325 -8.595 1.00 0.00 C ATOM 150 O VAL A 10 15.497 -28.969 -7.792 1.00 0.00 O ATOM 151 CB VAL A 10 12.434 -28.330 -8.017 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.685 -27.440 -9.236 1.00 0.00 C ATOM 153 CG2 VAL A 10 10.941 -28.646 -7.917 1.00 0.00 C ATOM 0 H VAL A 10 13.747 -29.897 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 10 12.749 -30.263 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 10 12.759 -27.810 -7.116 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.124 -26.511 -9.130 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.749 -27.215 -9.309 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.361 -27.959 -10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.379 -27.718 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.618 -29.167 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.760 -29.279 -7.048 1.00 0.00 H new ATOM 163 N LEU A 11 14.934 -29.455 -9.861 1.00 0.00 N ATOM 164 CA LEU A 11 16.305 -29.169 -10.368 1.00 0.00 C ATOM 165 C LEU A 11 16.231 -28.008 -11.364 1.00 0.00 C ATOM 166 O LEU A 11 15.158 -27.598 -11.761 1.00 0.00 O ATOM 167 CB LEU A 11 16.844 -30.420 -11.067 1.00 0.00 C ATOM 168 CG LEU A 11 17.510 -31.340 -10.039 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.577 -30.566 -9.260 1.00 0.00 C ATOM 170 CD2 LEU A 11 16.452 -31.866 -9.069 1.00 0.00 C ATOM 0 H LEU A 11 14.265 -29.750 -10.573 1.00 0.00 H new ATOM 0 HA LEU A 11 16.967 -28.900 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.032 -30.947 -11.568 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.563 -30.137 -11.836 1.00 0.00 H new ATOM 0 HG LEU A 11 17.981 -32.175 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.046 -31.227 -8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.333 -30.193 -9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.112 -29.727 -8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.924 -32.521 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 11 15.980 -31.028 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 11 15.697 -32.425 -9.622 1.00 0.00 H new ATOM 182 N PRO A 12 17.387 -27.466 -11.784 1.00 0.00 N ATOM 183 CA PRO A 12 17.427 -26.352 -12.740 1.00 0.00 C ATOM 184 C PRO A 12 16.890 -26.768 -14.112 1.00 0.00 C ATOM 185 O PRO A 12 16.474 -25.947 -14.905 1.00 0.00 O ATOM 186 CB PRO A 12 18.915 -26.008 -12.830 1.00 0.00 C ATOM 187 CG PRO A 12 19.609 -27.263 -12.431 1.00 0.00 C ATOM 188 CD PRO A 12 18.741 -27.886 -11.375 1.00 0.00 C ATOM 0 HA PRO A 12 16.808 -25.513 -12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.192 -25.704 -13.839 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.173 -25.183 -12.166 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.731 -27.932 -13.283 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.607 -27.054 -12.045 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.841 -28.971 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.994 -27.526 -10.378 1.00 0.00 H new ATOM 196 N ARG A 13 16.890 -28.042 -14.391 1.00 0.00 N ATOM 197 CA ARG A 13 16.374 -28.519 -15.705 1.00 0.00 C ATOM 198 C ARG A 13 14.904 -28.921 -15.559 1.00 0.00 C ATOM 199 O ARG A 13 14.150 -28.911 -16.512 1.00 0.00 O ATOM 200 CB ARG A 13 17.185 -29.733 -16.162 1.00 0.00 C ATOM 201 CG ARG A 13 18.613 -29.301 -16.503 1.00 0.00 C ATOM 202 CD ARG A 13 19.405 -30.516 -16.991 1.00 0.00 C ATOM 203 NE ARG A 13 20.855 -30.178 -17.049 1.00 0.00 N ATOM 204 CZ ARG A 13 21.745 -31.057 -16.675 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.615 -31.671 -15.531 1.00 0.00 N ATOM 206 NH2 ARG A 13 22.764 -31.322 -17.446 1.00 0.00 N ATOM 0 H ARG A 13 17.225 -28.774 -13.765 1.00 0.00 H new ATOM 0 HA ARG A 13 16.465 -27.720 -16.441 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.201 -30.488 -15.376 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.715 -30.189 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.598 -28.529 -17.272 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.093 -28.867 -15.626 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.245 -31.360 -16.320 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.053 -30.820 -17.977 1.00 0.00 H new ATOM 0 HE ARG A 13 21.152 -29.260 -17.381 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.818 -31.464 -14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 13 22.310 -32.358 -15.239 1.00 0.00 H new ATOM 0 HH21 ARG A 13 22.865 -30.842 -18.341 1.00 0.00 H new ATOM 0 HH22 ARG A 13 23.459 -32.009 -17.154 1.00 0.00 H new ATOM 220 N ILE A 14 14.494 -29.282 -14.374 1.00 0.00 N ATOM 221 CA ILE A 14 13.074 -29.694 -14.168 1.00 0.00 C ATOM 222 C ILE A 14 12.219 -28.470 -13.829 1.00 0.00 C ATOM 223 O ILE A 14 11.184 -28.242 -14.423 1.00 0.00 O ATOM 224 CB ILE A 14 12.998 -30.702 -13.018 1.00 0.00 C ATOM 225 CG1 ILE A 14 13.754 -31.975 -13.404 1.00 0.00 C ATOM 226 CG2 ILE A 14 11.534 -31.046 -12.736 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.006 -32.819 -12.153 1.00 0.00 C ATOM 0 H ILE A 14 15.079 -29.310 -13.539 1.00 0.00 H new ATOM 0 HA ILE A 14 12.698 -30.151 -15.083 1.00 0.00 H new ATOM 0 HB ILE A 14 13.448 -30.268 -12.125 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.177 -32.547 -14.131 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.701 -31.718 -13.879 1.00 0.00 H new ATOM 0 HG21 ILE A 14 11.480 -31.764 -11.917 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.994 -30.140 -12.461 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.084 -31.480 -13.629 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.545 -33.726 -12.428 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.600 -32.246 -11.441 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.053 -33.087 -11.697 1.00 0.00 H new ATOM 239 N GLY A 15 12.639 -27.683 -12.877 1.00 0.00 N ATOM 240 CA GLY A 15 11.844 -26.479 -12.502 1.00 0.00 C ATOM 241 C GLY A 15 10.717 -26.888 -11.549 1.00 0.00 C ATOM 242 O GLY A 15 10.631 -28.023 -11.125 1.00 0.00 O ATOM 0 H GLY A 15 13.497 -27.821 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.487 -25.739 -12.025 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.428 -26.012 -13.395 1.00 0.00 H new ATOM 246 N TYR A 16 9.851 -25.971 -11.209 1.00 0.00 N ATOM 247 CA TYR A 16 8.732 -26.308 -10.283 1.00 0.00 C ATOM 248 C TYR A 16 7.509 -26.741 -11.094 1.00 0.00 C ATOM 249 O TYR A 16 7.288 -26.277 -12.195 1.00 0.00 O ATOM 250 CB TYR A 16 8.378 -25.079 -9.442 1.00 0.00 C ATOM 251 CG TYR A 16 8.125 -25.502 -8.015 1.00 0.00 C ATOM 252 CD1 TYR A 16 7.029 -26.319 -7.712 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.985 -25.078 -6.995 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.795 -26.713 -6.389 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.749 -25.471 -5.673 1.00 0.00 C ATOM 256 CZ TYR A 16 7.654 -26.290 -5.370 1.00 0.00 C ATOM 257 OH TYR A 16 7.423 -26.680 -4.067 1.00 0.00 O ATOM 0 H TYR A 16 9.870 -25.004 -11.532 1.00 0.00 H new ATOM 0 HA TYR A 16 9.038 -27.122 -9.626 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.191 -24.353 -9.479 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.494 -24.589 -9.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.364 -26.645 -8.498 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.830 -24.448 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.950 -27.344 -6.155 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.412 -25.143 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 16 8.251 -26.600 -3.550 1.00 0.00 H new ATOM 267 N LEU A 17 6.713 -27.626 -10.560 1.00 0.00 N ATOM 268 CA LEU A 17 5.507 -28.089 -11.303 1.00 0.00 C ATOM 269 C LEU A 17 4.248 -27.790 -10.483 1.00 0.00 C ATOM 270 O LEU A 17 3.911 -28.509 -9.561 1.00 0.00 O ATOM 271 CB LEU A 17 5.610 -29.596 -11.551 1.00 0.00 C ATOM 272 CG LEU A 17 4.381 -30.074 -12.325 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.470 -29.590 -13.773 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.329 -31.603 -12.302 1.00 0.00 C ATOM 0 H LEU A 17 6.846 -28.049 -9.641 1.00 0.00 H new ATOM 0 HA LEU A 17 5.447 -27.565 -12.257 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.516 -29.821 -12.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.684 -30.127 -10.602 1.00 0.00 H new ATOM 0 HG LEU A 17 3.480 -29.671 -11.862 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.594 -29.931 -14.325 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.509 -28.501 -13.791 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.370 -29.993 -14.237 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.453 -31.946 -12.853 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.230 -32.005 -12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.267 -31.949 -11.270 1.00 0.00 H new ATOM 286 N CYS A 18 3.547 -26.740 -10.813 1.00 0.00 N ATOM 287 CA CYS A 18 2.308 -26.398 -10.059 1.00 0.00 C ATOM 288 C CYS A 18 1.092 -26.621 -10.960 1.00 0.00 C ATOM 289 O CYS A 18 1.199 -26.625 -12.171 1.00 0.00 O ATOM 290 CB CYS A 18 2.359 -24.929 -9.628 1.00 0.00 C ATOM 291 SG CYS A 18 3.816 -24.658 -8.590 1.00 0.00 S ATOM 0 H CYS A 18 3.780 -26.103 -11.574 1.00 0.00 H new ATOM 0 HA CYS A 18 2.232 -27.032 -9.176 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.398 -24.282 -10.505 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.454 -24.668 -9.079 1.00 0.00 H new ATOM 296 N PRO A 19 -0.086 -26.812 -10.352 1.00 0.00 N ATOM 297 CA PRO A 19 -1.331 -27.037 -11.092 1.00 0.00 C ATOM 298 C PRO A 19 -1.835 -25.753 -11.754 1.00 0.00 C ATOM 299 O PRO A 19 -1.362 -24.671 -11.467 1.00 0.00 O ATOM 300 CB PRO A 19 -2.315 -27.485 -10.013 1.00 0.00 C ATOM 301 CG PRO A 19 -1.787 -26.895 -8.748 1.00 0.00 C ATOM 302 CD PRO A 19 -0.291 -26.821 -8.895 1.00 0.00 C ATOM 0 HA PRO A 19 -1.203 -27.760 -11.897 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.323 -27.129 -10.225 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.367 -28.572 -9.951 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.208 -25.904 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.061 -27.510 -7.891 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.114 -25.923 -8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.200 -27.674 -8.426 1.00 0.00 H new ATOM 310 N LYS A 20 -2.790 -25.861 -12.634 1.00 0.00 N ATOM 311 CA LYS A 20 -3.318 -24.641 -13.307 1.00 0.00 C ATOM 312 C LYS A 20 -4.440 -24.040 -12.459 1.00 0.00 C ATOM 313 O LYS A 20 -4.700 -22.855 -12.508 1.00 0.00 O ATOM 314 CB LYS A 20 -3.860 -25.011 -14.690 1.00 0.00 C ATOM 315 CG LYS A 20 -2.741 -25.636 -15.525 1.00 0.00 C ATOM 316 CD LYS A 20 -3.270 -25.970 -16.921 1.00 0.00 C ATOM 317 CE LYS A 20 -2.137 -26.553 -17.769 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.641 -27.809 -17.140 1.00 0.00 N ATOM 0 H LYS A 20 -3.227 -26.738 -12.916 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.516 -23.911 -13.419 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.690 -25.711 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.249 -24.124 -15.189 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.900 -24.947 -15.599 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.371 -26.539 -15.039 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.090 -26.684 -16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.669 -25.073 -17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.492 -26.755 -18.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.325 -25.831 -17.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.105 -28.360 -17.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.023 -27.575 -16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.449 -28.371 -16.802 1.00 0.00 H new ATOM 332 N ASP A 21 -5.107 -24.846 -11.679 1.00 0.00 N ATOM 333 CA ASP A 21 -6.206 -24.314 -10.828 1.00 0.00 C ATOM 334 C ASP A 21 -5.650 -23.219 -9.916 1.00 0.00 C ATOM 335 O ASP A 21 -4.706 -23.432 -9.181 1.00 0.00 O ATOM 336 CB ASP A 21 -6.787 -25.444 -9.975 1.00 0.00 C ATOM 337 CG ASP A 21 -7.301 -26.559 -10.888 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.385 -26.328 -12.083 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.602 -27.625 -10.377 1.00 0.00 O ATOM 0 H ASP A 21 -4.938 -25.848 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.991 -23.901 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.025 -25.834 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.598 -25.065 -9.354 1.00 0.00 H new ATOM 344 N LEU A 22 -6.223 -22.047 -9.958 1.00 0.00 N ATOM 345 CA LEU A 22 -5.718 -20.942 -9.095 1.00 0.00 C ATOM 346 C LEU A 22 -6.425 -20.985 -7.740 1.00 0.00 C ATOM 347 O LEU A 22 -7.621 -20.801 -7.645 1.00 0.00 O ATOM 348 CB LEU A 22 -5.995 -19.598 -9.769 1.00 0.00 C ATOM 349 CG LEU A 22 -5.489 -18.466 -8.871 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.018 -18.708 -8.524 1.00 0.00 C ATOM 351 CD2 LEU A 22 -5.626 -17.131 -9.606 1.00 0.00 C ATOM 0 H LEU A 22 -7.017 -21.807 -10.551 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.644 -21.062 -8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.500 -19.556 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.064 -19.483 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.079 -18.439 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.658 -17.902 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.919 -19.659 -8.000 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.428 -18.736 -9.440 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.266 -16.325 -8.967 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.037 -17.158 -10.523 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.673 -16.958 -9.853 1.00 0.00 H new ATOM 363 N LYS A 23 -5.691 -21.219 -6.687 1.00 0.00 N ATOM 364 CA LYS A 23 -6.319 -21.265 -5.337 1.00 0.00 C ATOM 365 C LYS A 23 -5.562 -20.320 -4.404 1.00 0.00 C ATOM 366 O LYS A 23 -4.481 -20.628 -3.941 1.00 0.00 O ATOM 367 CB LYS A 23 -6.257 -22.691 -4.779 1.00 0.00 C ATOM 368 CG LYS A 23 -6.228 -23.699 -5.932 1.00 0.00 C ATOM 369 CD LYS A 23 -6.968 -24.973 -5.518 1.00 0.00 C ATOM 370 CE LYS A 23 -6.672 -26.085 -6.526 1.00 0.00 C ATOM 371 NZ LYS A 23 -7.823 -27.032 -6.573 1.00 0.00 N ATOM 0 H LYS A 23 -4.684 -21.380 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.362 -20.958 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.369 -22.810 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.120 -22.879 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.694 -23.267 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.197 -23.935 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.656 -25.280 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.041 -24.785 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.498 -25.658 -7.514 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.763 -26.615 -6.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.623 -27.788 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.969 -27.448 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.681 -26.521 -6.863 1.00 0.00 H new ATOM 385 N PRO A 24 -6.142 -19.141 -4.130 1.00 0.00 N ATOM 386 CA PRO A 24 -5.525 -18.130 -3.260 1.00 0.00 C ATOM 387 C PRO A 24 -5.410 -18.617 -1.814 1.00 0.00 C ATOM 388 O PRO A 24 -6.398 -18.856 -1.151 1.00 0.00 O ATOM 389 CB PRO A 24 -6.491 -16.947 -3.346 1.00 0.00 C ATOM 390 CG PRO A 24 -7.795 -17.564 -3.720 1.00 0.00 C ATOM 391 CD PRO A 24 -7.454 -18.701 -4.639 1.00 0.00 C ATOM 0 HA PRO A 24 -4.508 -17.887 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.559 -16.419 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.166 -16.221 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.328 -17.919 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.443 -16.841 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.196 -19.498 -4.591 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.399 -18.379 -5.679 1.00 0.00 H new ATOM 399 N VAL A 25 -4.211 -18.766 -1.321 1.00 0.00 N ATOM 400 CA VAL A 25 -4.044 -19.236 0.082 1.00 0.00 C ATOM 401 C VAL A 25 -3.426 -18.126 0.927 1.00 0.00 C ATOM 402 O VAL A 25 -2.727 -17.266 0.430 1.00 0.00 O ATOM 403 CB VAL A 25 -3.121 -20.457 0.117 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.683 -21.559 -0.778 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.729 -20.057 -0.378 1.00 0.00 C ATOM 0 H VAL A 25 -3.344 -18.583 -1.827 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.022 -19.504 0.481 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.054 -20.827 1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.021 -22.425 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.673 -21.846 -0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.757 -21.194 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.071 -20.925 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.800 -19.684 -1.400 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.324 -19.277 0.266 1.00 0.00 H new ATOM 415 N CYS A 26 -3.669 -18.146 2.207 1.00 0.00 N ATOM 416 CA CYS A 26 -3.084 -17.101 3.091 1.00 0.00 C ATOM 417 C CYS A 26 -1.774 -17.629 3.675 1.00 0.00 C ATOM 418 O CYS A 26 -1.709 -18.733 4.172 1.00 0.00 O ATOM 419 CB CYS A 26 -4.061 -16.781 4.226 1.00 0.00 C ATOM 420 SG CYS A 26 -3.411 -15.410 5.214 1.00 0.00 S ATOM 0 H CYS A 26 -4.247 -18.841 2.679 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.896 -16.193 2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.037 -16.518 3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.205 -17.660 4.855 1.00 0.00 H new ATOM 425 N GLY A 27 -0.729 -16.854 3.613 1.00 0.00 N ATOM 426 CA GLY A 27 0.578 -17.318 4.161 1.00 0.00 C ATOM 427 C GLY A 27 0.658 -16.988 5.653 1.00 0.00 C ATOM 428 O GLY A 27 0.283 -15.917 6.085 1.00 0.00 O ATOM 0 H GLY A 27 -0.722 -15.918 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.686 -18.392 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.398 -16.837 3.628 1.00 0.00 H new ATOM 432 N ASP A 28 1.146 -17.904 6.445 1.00 0.00 N ATOM 433 CA ASP A 28 1.252 -17.647 7.910 1.00 0.00 C ATOM 434 C ASP A 28 2.272 -16.535 8.164 1.00 0.00 C ATOM 435 O ASP A 28 2.366 -16.006 9.255 1.00 0.00 O ATOM 436 CB ASP A 28 1.706 -18.924 8.617 1.00 0.00 C ATOM 437 CG ASP A 28 3.045 -19.381 8.032 1.00 0.00 C ATOM 438 OD1 ASP A 28 3.590 -18.656 7.216 1.00 0.00 O ATOM 439 OD2 ASP A 28 3.501 -20.448 8.409 1.00 0.00 O ATOM 0 H ASP A 28 1.476 -18.820 6.141 1.00 0.00 H new ATOM 0 HA ASP A 28 0.280 -17.341 8.296 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.807 -18.744 9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.957 -19.706 8.494 1.00 0.00 H new ATOM 444 N ASP A 29 3.035 -16.174 7.171 1.00 0.00 N ATOM 445 CA ASP A 29 4.044 -15.095 7.362 1.00 0.00 C ATOM 446 C ASP A 29 3.373 -13.732 7.186 1.00 0.00 C ATOM 447 O ASP A 29 4.027 -12.710 7.132 1.00 0.00 O ATOM 448 CB ASP A 29 5.157 -15.251 6.325 1.00 0.00 C ATOM 449 CG ASP A 29 4.550 -15.204 4.921 1.00 0.00 C ATOM 450 OD1 ASP A 29 3.350 -15.009 4.823 1.00 0.00 O ATOM 451 OD2 ASP A 29 5.296 -15.363 3.969 1.00 0.00 O ATOM 0 H ASP A 29 3.004 -16.579 6.235 1.00 0.00 H new ATOM 0 HA ASP A 29 4.466 -15.166 8.364 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.893 -14.456 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.681 -16.195 6.476 1.00 0.00 H new ATOM 456 N GLY A 30 2.072 -13.709 7.090 1.00 0.00 N ATOM 457 CA GLY A 30 1.363 -12.411 6.912 1.00 0.00 C ATOM 458 C GLY A 30 1.317 -12.068 5.422 1.00 0.00 C ATOM 459 O GLY A 30 1.144 -10.926 5.042 1.00 0.00 O ATOM 0 H GLY A 30 1.470 -14.532 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.352 -12.476 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.876 -11.623 7.464 1.00 0.00 H new ATOM 463 N GLN A 31 1.475 -13.050 4.578 1.00 0.00 N ATOM 464 CA GLN A 31 1.444 -12.791 3.110 1.00 0.00 C ATOM 465 C GLN A 31 0.399 -13.700 2.457 1.00 0.00 C ATOM 466 O GLN A 31 -0.203 -14.531 3.105 1.00 0.00 O ATOM 467 CB GLN A 31 2.822 -13.084 2.514 1.00 0.00 C ATOM 468 CG GLN A 31 3.735 -11.876 2.730 1.00 0.00 C ATOM 469 CD GLN A 31 5.161 -12.228 2.301 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.408 -13.307 1.798 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.115 -11.357 2.479 1.00 0.00 N ATOM 0 H GLN A 31 1.625 -14.024 4.842 1.00 0.00 H new ATOM 0 HA GLN A 31 1.184 -11.748 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.253 -13.968 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.732 -13.300 1.449 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.371 -11.025 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.722 -11.581 3.779 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.907 -10.452 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.069 -11.581 2.196 1.00 0.00 H new ATOM 480 N THR A 32 0.180 -13.550 1.180 1.00 0.00 N ATOM 481 CA THR A 32 -0.825 -14.408 0.487 1.00 0.00 C ATOM 482 C THR A 32 -0.242 -14.908 -0.834 1.00 0.00 C ATOM 483 O THR A 32 0.374 -14.164 -1.573 1.00 0.00 O ATOM 484 CB THR A 32 -2.088 -13.589 0.206 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.471 -12.893 1.384 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.218 -14.524 -0.227 1.00 0.00 C ATOM 0 H THR A 32 0.653 -12.870 0.585 1.00 0.00 H new ATOM 0 HA THR A 32 -1.075 -15.258 1.121 1.00 0.00 H new ATOM 0 HB THR A 32 -1.887 -12.872 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.294 -13.454 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.117 -13.940 -0.427 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.923 -15.057 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.421 -15.242 0.568 1.00 0.00 H new ATOM 494 N TYR A 33 -0.431 -16.161 -1.139 1.00 0.00 N ATOM 495 CA TYR A 33 0.114 -16.703 -2.414 1.00 0.00 C ATOM 496 C TYR A 33 -1.045 -17.093 -3.333 1.00 0.00 C ATOM 497 O TYR A 33 -1.873 -17.914 -2.993 1.00 0.00 O ATOM 498 CB TYR A 33 0.977 -17.930 -2.117 1.00 0.00 C ATOM 499 CG TYR A 33 2.097 -17.539 -1.182 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.841 -17.363 0.184 1.00 0.00 C ATOM 501 CD2 TYR A 33 3.392 -17.350 -1.680 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.879 -17.001 1.052 1.00 0.00 C ATOM 503 CE2 TYR A 33 4.431 -16.988 -0.812 1.00 0.00 C ATOM 504 CZ TYR A 33 4.174 -16.814 0.553 1.00 0.00 C ATOM 505 OH TYR A 33 5.197 -16.456 1.407 1.00 0.00 O ATOM 0 H TYR A 33 -0.938 -16.832 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 33 0.725 -15.946 -2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.370 -18.715 -1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.386 -18.334 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.842 -17.507 0.568 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.590 -17.483 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.681 -16.866 2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.430 -16.843 -1.196 1.00 0.00 H new ATOM 0 HH TYR A 33 4.820 -16.084 2.231 1.00 0.00 H new ATOM 515 N ASN A 34 -1.116 -16.500 -4.494 1.00 0.00 N ATOM 516 CA ASN A 34 -2.226 -16.823 -5.433 1.00 0.00 C ATOM 517 C ASN A 34 -2.420 -18.340 -5.512 1.00 0.00 C ATOM 518 O ASN A 34 -3.318 -18.889 -4.911 1.00 0.00 O ATOM 519 CB ASN A 34 -1.907 -16.263 -6.823 1.00 0.00 C ATOM 520 CG ASN A 34 -1.310 -14.863 -6.684 1.00 0.00 C ATOM 521 OD1 ASN A 34 -1.818 -14.042 -5.947 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.241 -14.554 -7.366 1.00 0.00 N ATOM 0 H ASN A 34 -0.451 -15.804 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.147 -16.368 -5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.206 -16.919 -7.339 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.813 -16.225 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.168 -13.623 -7.280 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.186 -15.243 -7.985 1.00 0.00 H new ATOM 529 N ASN A 35 -1.594 -19.021 -6.253 1.00 0.00 N ATOM 530 CA ASN A 35 -1.743 -20.500 -6.373 1.00 0.00 C ATOM 531 C ASN A 35 -1.100 -21.188 -5.165 1.00 0.00 C ATOM 532 O ASN A 35 -0.138 -20.702 -4.606 1.00 0.00 O ATOM 533 CB ASN A 35 -1.071 -20.960 -7.671 1.00 0.00 C ATOM 534 CG ASN A 35 -0.857 -22.474 -7.655 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.103 -22.985 -6.854 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.493 -23.217 -8.522 1.00 0.00 N ATOM 0 H ASN A 35 -0.820 -18.619 -6.782 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.799 -20.767 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.689 -20.683 -8.525 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.114 -20.453 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.356 -24.228 -8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.127 -22.786 -9.195 1.00 0.00 H new ATOM 543 N PRO A 36 -1.645 -22.349 -4.758 1.00 0.00 N ATOM 544 CA PRO A 36 -1.126 -23.113 -3.614 1.00 0.00 C ATOM 545 C PRO A 36 0.298 -23.615 -3.861 1.00 0.00 C ATOM 546 O PRO A 36 1.198 -23.354 -3.087 1.00 0.00 O ATOM 547 CB PRO A 36 -2.100 -24.290 -3.501 1.00 0.00 C ATOM 548 CG PRO A 36 -2.674 -24.422 -4.869 1.00 0.00 C ATOM 549 CD PRO A 36 -2.805 -23.016 -5.378 1.00 0.00 C ATOM 0 HA PRO A 36 -1.065 -22.510 -2.708 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.588 -25.202 -3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.876 -24.095 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -2.025 -25.015 -5.513 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.642 -24.923 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.766 -22.972 -6.466 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.747 -22.559 -5.074 1.00 0.00 H new ATOM 557 N CYS A 37 0.520 -24.317 -4.939 1.00 0.00 N ATOM 558 CA CYS A 37 1.895 -24.807 -5.225 1.00 0.00 C ATOM 559 C CYS A 37 2.808 -23.595 -5.420 1.00 0.00 C ATOM 560 O CYS A 37 4.001 -23.661 -5.201 1.00 0.00 O ATOM 561 CB CYS A 37 1.880 -25.662 -6.495 1.00 0.00 C ATOM 562 SG CYS A 37 3.577 -25.950 -7.057 1.00 0.00 S ATOM 0 H CYS A 37 -0.187 -24.570 -5.629 1.00 0.00 H new ATOM 0 HA CYS A 37 2.260 -25.416 -4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.385 -26.613 -6.299 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.308 -25.161 -7.276 1.00 0.00 H new ATOM 567 N MET A 38 2.247 -22.486 -5.819 1.00 0.00 N ATOM 568 CA MET A 38 3.071 -21.262 -6.017 1.00 0.00 C ATOM 569 C MET A 38 3.609 -20.796 -4.662 1.00 0.00 C ATOM 570 O MET A 38 4.476 -19.949 -4.585 1.00 0.00 O ATOM 571 CB MET A 38 2.209 -20.157 -6.633 1.00 0.00 C ATOM 572 CG MET A 38 2.319 -20.215 -8.158 1.00 0.00 C ATOM 573 SD MET A 38 4.019 -19.846 -8.654 1.00 0.00 S ATOM 574 CE MET A 38 3.989 -18.077 -8.274 1.00 0.00 C ATOM 0 H MET A 38 1.252 -22.376 -6.016 1.00 0.00 H new ATOM 0 HA MET A 38 3.902 -21.484 -6.686 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.170 -20.279 -6.328 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.535 -19.182 -6.271 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.030 -21.203 -8.517 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.633 -19.499 -8.610 1.00 0.00 H new ATOM 0 HE1 MET A 38 4.523 -17.529 -9.050 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.956 -17.731 -8.231 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.470 -17.903 -7.311 1.00 0.00 H new ATOM 584 N LEU A 39 3.104 -21.350 -3.591 1.00 0.00 N ATOM 585 CA LEU A 39 3.592 -20.946 -2.245 1.00 0.00 C ATOM 586 C LEU A 39 5.002 -21.492 -2.052 1.00 0.00 C ATOM 587 O LEU A 39 5.948 -20.751 -1.870 1.00 0.00 O ATOM 588 CB LEU A 39 2.665 -21.525 -1.172 1.00 0.00 C ATOM 589 CG LEU A 39 3.281 -21.300 0.209 1.00 0.00 C ATOM 590 CD1 LEU A 39 3.130 -19.829 0.599 1.00 0.00 C ATOM 591 CD2 LEU A 39 2.568 -22.180 1.238 1.00 0.00 C ATOM 0 H LEU A 39 2.375 -22.064 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 39 3.601 -19.859 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.686 -21.049 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.512 -22.590 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 39 4.339 -21.562 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.569 -19.667 1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.641 -19.204 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.072 -19.566 0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.008 -22.019 2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.510 -21.921 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.678 -23.228 0.959 1.00 0.00 H new ATOM 603 N CYS A 40 5.154 -22.784 -2.112 1.00 0.00 N ATOM 604 CA CYS A 40 6.507 -23.378 -1.955 1.00 0.00 C ATOM 605 C CYS A 40 7.438 -22.728 -2.978 1.00 0.00 C ATOM 606 O CYS A 40 8.629 -22.609 -2.768 1.00 0.00 O ATOM 607 CB CYS A 40 6.429 -24.881 -2.203 1.00 0.00 C ATOM 608 SG CYS A 40 7.925 -25.665 -1.570 1.00 0.00 S ATOM 0 H CYS A 40 4.399 -23.454 -2.263 1.00 0.00 H new ATOM 0 HA CYS A 40 6.886 -23.206 -0.948 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.550 -25.298 -1.711 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.323 -25.081 -3.269 1.00 0.00 H new ATOM 613 N HIS A 41 6.892 -22.293 -4.083 1.00 0.00 N ATOM 614 CA HIS A 41 7.726 -21.630 -5.123 1.00 0.00 C ATOM 615 C HIS A 41 8.221 -20.294 -4.578 1.00 0.00 C ATOM 616 O HIS A 41 9.408 -20.066 -4.446 1.00 0.00 O ATOM 617 CB HIS A 41 6.877 -21.386 -6.371 1.00 0.00 C ATOM 618 CG HIS A 41 7.772 -21.037 -7.528 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.604 -21.968 -8.128 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.973 -19.861 -8.210 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.261 -21.344 -9.123 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.913 -20.059 -9.217 1.00 0.00 N ATOM 0 H HIS A 41 5.900 -22.370 -4.309 1.00 0.00 H new ATOM 0 HA HIS A 41 8.575 -22.263 -5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.292 -22.276 -6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.169 -20.578 -6.189 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.701 -22.948 -7.864 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.477 -18.926 -7.997 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.982 -21.825 -9.767 1.00 0.00 H new ATOM 630 N GLU A 42 7.318 -19.412 -4.245 1.00 0.00 N ATOM 631 CA GLU A 42 7.739 -18.097 -3.691 1.00 0.00 C ATOM 632 C GLU A 42 8.579 -18.347 -2.441 1.00 0.00 C ATOM 633 O GLU A 42 9.326 -17.496 -1.995 1.00 0.00 O ATOM 634 CB GLU A 42 6.499 -17.277 -3.326 1.00 0.00 C ATOM 635 CG GLU A 42 5.756 -16.878 -4.603 1.00 0.00 C ATOM 636 CD GLU A 42 4.696 -15.826 -4.267 1.00 0.00 C ATOM 637 OE1 GLU A 42 4.691 -15.356 -3.142 1.00 0.00 O ATOM 638 OE2 GLU A 42 3.907 -15.510 -5.142 1.00 0.00 O ATOM 0 H GLU A 42 6.311 -19.546 -4.333 1.00 0.00 H new ATOM 0 HA GLU A 42 8.323 -17.546 -4.428 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.843 -17.859 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.790 -16.387 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.458 -16.481 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.286 -17.753 -5.052 1.00 0.00 H new ATOM 645 N ASN A 43 8.468 -19.521 -1.879 1.00 0.00 N ATOM 646 CA ASN A 43 9.264 -19.845 -0.663 1.00 0.00 C ATOM 647 C ASN A 43 10.700 -20.156 -1.083 1.00 0.00 C ATOM 648 O ASN A 43 11.642 -19.877 -0.369 1.00 0.00 O ATOM 649 CB ASN A 43 8.659 -21.066 0.032 1.00 0.00 C ATOM 650 CG ASN A 43 7.359 -20.666 0.733 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.140 -19.504 1.017 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.482 -21.586 1.027 1.00 0.00 N ATOM 0 H ASN A 43 7.860 -20.269 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 43 9.254 -18.999 0.024 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.464 -21.852 -0.697 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.365 -21.471 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.612 -21.331 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.666 -22.561 0.789 1.00 0.00 H new ATOM 659 N LEU A 44 10.874 -20.725 -2.246 1.00 0.00 N ATOM 660 CA LEU A 44 12.249 -21.044 -2.718 1.00 0.00 C ATOM 661 C LEU A 44 13.062 -19.752 -2.763 1.00 0.00 C ATOM 662 O LEU A 44 14.226 -19.724 -2.418 1.00 0.00 O ATOM 663 CB LEU A 44 12.180 -21.658 -4.118 1.00 0.00 C ATOM 664 CG LEU A 44 13.525 -22.302 -4.462 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.584 -21.211 -4.628 1.00 0.00 C ATOM 666 CD2 LEU A 44 13.941 -23.250 -3.336 1.00 0.00 C ATOM 0 H LEU A 44 10.124 -20.982 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 44 12.721 -21.756 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.387 -22.404 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.935 -20.890 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 44 13.432 -22.863 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.542 -21.669 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.288 -20.536 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.677 -20.650 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.899 -23.708 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.034 -22.691 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.186 -24.028 -3.218 1.00 0.00 H new ATOM 678 N ILE A 45 12.451 -18.675 -3.178 1.00 0.00 N ATOM 679 CA ILE A 45 13.179 -17.379 -3.234 1.00 0.00 C ATOM 680 C ILE A 45 13.319 -16.832 -1.814 1.00 0.00 C ATOM 681 O ILE A 45 14.392 -16.459 -1.383 1.00 0.00 O ATOM 682 CB ILE A 45 12.393 -16.381 -4.089 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.817 -17.095 -5.312 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.328 -15.260 -4.546 1.00 0.00 C ATOM 685 CD1 ILE A 45 12.929 -17.862 -6.028 1.00 0.00 C ATOM 0 H ILE A 45 11.478 -18.639 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 45 14.164 -17.529 -3.676 1.00 0.00 H new ATOM 0 HB ILE A 45 11.578 -15.960 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.027 -17.781 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.366 -16.370 -5.990 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.771 -14.548 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.738 -14.750 -3.674 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.142 -15.683 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.517 -18.371 -6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 45 13.704 -17.165 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 45 13.359 -18.598 -5.348 1.00 0.00 H new ATOM 697 N ARG A 46 12.240 -16.788 -1.080 1.00 0.00 N ATOM 698 CA ARG A 46 12.312 -16.272 0.316 1.00 0.00 C ATOM 699 C ARG A 46 13.208 -17.193 1.147 1.00 0.00 C ATOM 700 O ARG A 46 13.833 -16.772 2.099 1.00 0.00 O ATOM 701 CB ARG A 46 10.908 -16.243 0.922 1.00 0.00 C ATOM 702 CG ARG A 46 10.033 -15.266 0.134 1.00 0.00 C ATOM 703 CD ARG A 46 8.646 -15.193 0.778 1.00 0.00 C ATOM 704 NE ARG A 46 7.742 -14.382 -0.083 1.00 0.00 N ATOM 705 CZ ARG A 46 8.088 -13.173 -0.435 1.00 0.00 C ATOM 706 NH1 ARG A 46 8.957 -12.510 0.278 1.00 0.00 N ATOM 707 NH2 ARG A 46 7.567 -12.630 -1.501 1.00 0.00 N ATOM 0 H ARG A 46 11.314 -17.086 -1.386 1.00 0.00 H new ATOM 0 HA ARG A 46 12.725 -15.263 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.470 -17.241 0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.958 -15.941 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 10.493 -14.278 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.948 -15.591 -0.903 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.240 -16.196 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.717 -14.748 1.770 1.00 0.00 H new ATOM 0 HE ARG A 46 6.853 -14.770 -0.398 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.366 -12.936 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.228 -11.566 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.890 -13.150 -2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.837 -11.686 -1.776 1.00 0.00 H new ATOM 721 N GLN A 47 13.273 -18.448 0.790 1.00 0.00 N ATOM 722 CA GLN A 47 14.128 -19.401 1.554 1.00 0.00 C ATOM 723 C GLN A 47 13.608 -19.517 2.988 1.00 0.00 C ATOM 724 O GLN A 47 14.367 -19.506 3.937 1.00 0.00 O ATOM 725 CB GLN A 47 15.573 -18.895 1.569 1.00 0.00 C ATOM 726 CG GLN A 47 16.118 -18.871 0.139 1.00 0.00 C ATOM 727 CD GLN A 47 17.581 -18.422 0.155 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.064 -17.924 1.152 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.310 -18.579 -0.915 1.00 0.00 N ATOM 0 H GLN A 47 12.770 -18.854 0.001 1.00 0.00 H new ATOM 0 HA GLN A 47 14.095 -20.381 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.616 -17.896 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.190 -19.541 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.036 -19.861 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.526 -18.193 -0.475 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.904 -18.997 -1.752 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.286 -18.284 -0.915 1.00 0.00 H new ATOM 738 N THR A 48 12.319 -19.628 3.151 1.00 0.00 N ATOM 739 CA THR A 48 11.749 -19.748 4.523 1.00 0.00 C ATOM 740 C THR A 48 10.723 -20.882 4.548 1.00 0.00 C ATOM 741 O THR A 48 10.302 -21.375 3.520 1.00 0.00 O ATOM 742 CB THR A 48 11.065 -18.433 4.907 1.00 0.00 C ATOM 743 OG1 THR A 48 9.887 -18.271 4.130 1.00 0.00 O ATOM 744 CG2 THR A 48 12.014 -17.264 4.648 1.00 0.00 C ATOM 0 H THR A 48 11.635 -19.641 2.394 1.00 0.00 H new ATOM 0 HA THR A 48 12.548 -19.963 5.233 1.00 0.00 H new ATOM 0 HB THR A 48 10.804 -18.455 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.446 -17.431 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.524 -16.330 4.922 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.917 -17.389 5.245 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.279 -17.238 3.591 1.00 0.00 H new ATOM 752 N ASN A 49 10.314 -21.300 5.715 1.00 0.00 N ATOM 753 CA ASN A 49 9.314 -22.401 5.804 1.00 0.00 C ATOM 754 C ASN A 49 7.914 -21.802 5.955 1.00 0.00 C ATOM 755 O ASN A 49 7.236 -22.021 6.940 1.00 0.00 O ATOM 756 CB ASN A 49 9.627 -23.280 7.017 1.00 0.00 C ATOM 757 CG ASN A 49 9.490 -22.454 8.298 1.00 0.00 C ATOM 758 OD1 ASN A 49 9.420 -21.242 8.249 1.00 0.00 O ATOM 759 ND2 ASN A 49 9.448 -23.064 9.451 1.00 0.00 N ATOM 0 H ASN A 49 10.629 -20.926 6.610 1.00 0.00 H new ATOM 0 HA ASN A 49 9.357 -23.006 4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.947 -24.132 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.637 -23.681 6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.356 -22.523 10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.507 -24.081 9.492 1.00 0.00 H new ATOM 766 N THR A 50 7.477 -21.044 4.989 1.00 0.00 N ATOM 767 CA THR A 50 6.123 -20.427 5.078 1.00 0.00 C ATOM 768 C THR A 50 5.050 -21.498 4.878 1.00 0.00 C ATOM 769 O THR A 50 5.139 -22.323 3.991 1.00 0.00 O ATOM 770 CB THR A 50 5.976 -19.359 3.992 1.00 0.00 C ATOM 771 OG1 THR A 50 6.967 -18.359 4.176 1.00 0.00 O ATOM 772 CG2 THR A 50 4.584 -18.725 4.083 1.00 0.00 C ATOM 0 H THR A 50 7.999 -20.824 4.141 1.00 0.00 H new ATOM 0 HA THR A 50 6.002 -19.972 6.061 1.00 0.00 H new ATOM 0 HB THR A 50 6.101 -19.818 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.856 -18.751 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.479 -17.964 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.824 -19.494 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.457 -18.266 5.063 1.00 0.00 H new ATOM 780 N HIS A 51 4.033 -21.484 5.693 1.00 0.00 N ATOM 781 CA HIS A 51 2.944 -22.491 5.549 1.00 0.00 C ATOM 782 C HIS A 51 1.649 -21.771 5.173 1.00 0.00 C ATOM 783 O HIS A 51 1.622 -20.567 5.011 1.00 0.00 O ATOM 784 CB HIS A 51 2.743 -23.225 6.878 1.00 0.00 C ATOM 785 CG HIS A 51 4.060 -23.761 7.369 1.00 0.00 C ATOM 786 ND1 HIS A 51 4.949 -22.985 8.097 1.00 0.00 N ATOM 787 CD2 HIS A 51 4.648 -24.995 7.252 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.012 -23.755 8.388 1.00 0.00 C ATOM 789 NE2 HIS A 51 5.880 -24.990 7.897 1.00 0.00 N ATOM 0 H HIS A 51 3.908 -20.817 6.455 1.00 0.00 H new ATOM 0 HA HIS A 51 3.211 -23.210 4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.318 -22.547 7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.033 -24.042 6.749 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.820 -22.009 8.363 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.219 -25.842 6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.869 -23.416 8.951 1.00 0.00 H new ATOM 797 N ILE A 52 0.572 -22.494 5.041 1.00 0.00 N ATOM 798 CA ILE A 52 -0.718 -21.840 4.687 1.00 0.00 C ATOM 799 C ILE A 52 -1.446 -21.446 5.973 1.00 0.00 C ATOM 800 O ILE A 52 -1.714 -22.270 6.825 1.00 0.00 O ATOM 801 CB ILE A 52 -1.588 -22.812 3.889 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.896 -23.152 2.566 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.942 -22.156 3.611 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.873 -23.895 1.653 1.00 0.00 C ATOM 0 H ILE A 52 0.529 -23.506 5.162 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.524 -20.954 4.083 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.736 -23.729 4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.550 -22.240 2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.016 -23.768 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.569 -22.843 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.431 -21.916 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.792 -21.241 3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.379 -24.136 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.197 -24.815 2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.740 -23.264 1.457 1.00 0.00 H new ATOM 816 N ARG A 53 -1.763 -20.192 6.119 1.00 0.00 N ATOM 817 CA ARG A 53 -2.467 -19.737 7.347 1.00 0.00 C ATOM 818 C ARG A 53 -3.952 -20.066 7.232 1.00 0.00 C ATOM 819 O ARG A 53 -4.571 -20.547 8.160 1.00 0.00 O ATOM 820 CB ARG A 53 -2.308 -18.224 7.486 1.00 0.00 C ATOM 821 CG ARG A 53 -2.975 -17.766 8.781 1.00 0.00 C ATOM 822 CD ARG A 53 -2.735 -16.268 8.979 1.00 0.00 C ATOM 823 NE ARG A 53 -3.348 -15.837 10.266 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.599 -15.669 11.322 1.00 0.00 C ATOM 825 NH1 ARG A 53 -2.199 -14.472 11.654 1.00 0.00 N ATOM 826 NH2 ARG A 53 -2.251 -16.698 12.045 1.00 0.00 N ATOM 0 H ARG A 53 -1.564 -19.460 5.438 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.042 -20.240 8.216 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.251 -17.956 7.493 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.759 -17.719 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.045 -17.971 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.573 -18.324 9.626 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.666 -16.057 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.167 -15.706 8.151 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.353 -15.673 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.472 -13.668 11.089 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.614 -14.340 12.479 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.564 -17.633 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.666 -16.567 12.870 1.00 0.00 H new ATOM 840 N SER A 54 -4.526 -19.800 6.097 1.00 0.00 N ATOM 841 CA SER A 54 -5.972 -20.084 5.908 1.00 0.00 C ATOM 842 C SER A 54 -6.269 -20.197 4.412 1.00 0.00 C ATOM 843 O SER A 54 -5.533 -19.698 3.585 1.00 0.00 O ATOM 844 CB SER A 54 -6.792 -18.942 6.511 1.00 0.00 C ATOM 845 OG SER A 54 -6.981 -17.928 5.536 1.00 0.00 O ATOM 0 H SER A 54 -4.054 -19.396 5.288 1.00 0.00 H new ATOM 0 HA SER A 54 -6.235 -21.019 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.757 -19.315 6.855 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.280 -18.533 7.382 1.00 0.00 H new ATOM 0 HG SER A 54 -7.508 -17.197 5.922 1.00 0.00 H new ATOM 851 N THR A 55 -7.337 -20.854 4.058 1.00 0.00 N ATOM 852 CA THR A 55 -7.671 -21.003 2.615 1.00 0.00 C ATOM 853 C THR A 55 -8.235 -19.685 2.077 1.00 0.00 C ATOM 854 O THR A 55 -9.041 -19.035 2.713 1.00 0.00 O ATOM 855 CB THR A 55 -8.710 -22.114 2.444 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.967 -21.660 2.927 1.00 0.00 O ATOM 857 CG2 THR A 55 -8.274 -23.348 3.233 1.00 0.00 C ATOM 0 H THR A 55 -7.992 -21.294 4.704 1.00 0.00 H new ATOM 0 HA THR A 55 -6.769 -21.261 2.060 1.00 0.00 H new ATOM 0 HB THR A 55 -8.797 -22.373 1.389 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.635 -22.369 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.014 -24.138 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.309 -23.694 2.863 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.187 -23.093 4.289 1.00 0.00 H new ATOM 865 N GLY A 56 -7.813 -19.290 0.907 1.00 0.00 N ATOM 866 CA GLY A 56 -8.318 -18.017 0.320 1.00 0.00 C ATOM 867 C GLY A 56 -7.340 -16.889 0.637 1.00 0.00 C ATOM 868 O GLY A 56 -6.509 -16.998 1.516 1.00 0.00 O ATOM 0 H GLY A 56 -7.139 -19.795 0.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.432 -18.121 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.303 -17.783 0.724 1.00 0.00 H new ATOM 872 N LYS A 57 -7.438 -15.804 -0.075 1.00 0.00 N ATOM 873 CA LYS A 57 -6.519 -14.658 0.178 1.00 0.00 C ATOM 874 C LYS A 57 -6.507 -14.343 1.676 1.00 0.00 C ATOM 875 O LYS A 57 -7.412 -14.703 2.402 1.00 0.00 O ATOM 876 CB LYS A 57 -7.001 -13.432 -0.599 1.00 0.00 C ATOM 877 CG LYS A 57 -6.163 -12.214 -0.202 1.00 0.00 C ATOM 878 CD LYS A 57 -6.641 -10.986 -0.981 1.00 0.00 C ATOM 879 CE LYS A 57 -5.520 -9.945 -1.026 1.00 0.00 C ATOM 880 NZ LYS A 57 -5.251 -9.445 0.351 1.00 0.00 N ATOM 0 H LYS A 57 -8.116 -15.659 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.512 -14.918 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.916 -13.611 -1.671 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.054 -13.246 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.250 -12.034 0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.109 -12.401 -0.410 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.927 -11.272 -1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.527 -10.563 -0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.617 -10.386 -1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.804 -9.117 -1.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.629 -8.613 0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.148 -9.181 0.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.788 -10.192 0.907 1.00 0.00 H new ATOM 894 N CYS A 58 -5.489 -13.674 2.146 1.00 0.00 N ATOM 895 CA CYS A 58 -5.425 -13.341 3.597 1.00 0.00 C ATOM 896 C CYS A 58 -6.517 -12.321 3.933 1.00 0.00 C ATOM 897 O CYS A 58 -6.844 -11.463 3.138 1.00 0.00 O ATOM 898 CB CYS A 58 -4.052 -12.750 3.925 1.00 0.00 C ATOM 899 SG CYS A 58 -2.801 -14.055 3.846 1.00 0.00 S ATOM 0 H CYS A 58 -4.701 -13.344 1.589 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.579 -14.245 4.186 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.809 -11.955 3.221 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.064 -12.303 4.919 1.00 0.00 H new ATOM 904 N GLU A 59 -7.083 -12.408 5.106 1.00 0.00 N ATOM 905 CA GLU A 59 -8.152 -11.444 5.493 1.00 0.00 C ATOM 906 C GLU A 59 -7.517 -10.121 5.922 1.00 0.00 C ATOM 907 O GLU A 59 -6.564 -9.708 5.282 1.00 0.00 O ATOM 908 CB GLU A 59 -8.965 -12.020 6.654 1.00 0.00 C ATOM 909 CG GLU A 59 -9.679 -13.292 6.195 1.00 0.00 C ATOM 910 CD GLU A 59 -10.618 -13.778 7.301 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.596 -13.190 8.370 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.343 -14.729 7.061 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.994 -9.543 6.886 1.00 0.00 O ATOM 0 H GLU A 59 -6.851 -13.105 5.813 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.809 -11.271 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.309 -12.242 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.693 -11.287 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.244 -13.096 5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.949 -14.066 5.957 1.00 0.00 H new