USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 178:sc= 1.24 (180deg=1.21) USER MOD Single : A 4 LYS NZ :NH3+ -108:sc= 0.42 (180deg=-0.0978) USER MOD Single : A 8 LYS NZ :NH3+ -175:sc=-0.00459 (180deg=-0.0266) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.39 (180deg=0.301) USER MOD Single : A 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.004) USER MOD Single : A 22 ASN : amide:sc= 0.498 X(o=0.5,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.701 K(o=0.7,f=-4.7!) USER MOD Single : A 48 GLN : amide:sc= 1.11 K(o=1.1,f=-0.81) USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00279 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.796 12.453 -7.675 1.00 0.00 N ATOM 2 CA ALA A 1 3.318 11.081 -7.808 1.00 0.00 C ATOM 3 C ALA A 1 2.724 10.173 -6.728 1.00 0.00 C ATOM 4 O ALA A 1 1.973 10.638 -5.872 1.00 0.00 O ATOM 5 CB ALA A 1 4.849 11.087 -7.745 1.00 0.00 C ATOM 0 H1 ALA A 1 3.235 13.063 -8.394 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.765 12.447 -7.809 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.019 12.819 -6.728 1.00 0.00 H new ATOM 0 HA ALA A 1 3.020 10.685 -8.779 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.221 10.067 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.244 11.698 -8.556 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.172 11.500 -6.789 1.00 0.00 H new ATOM 13 N ARG A 2 3.044 8.876 -6.783 1.00 0.00 N ATOM 14 CA ARG A 2 2.749 7.930 -5.718 1.00 0.00 C ATOM 15 C ARG A 2 3.802 6.825 -5.720 1.00 0.00 C ATOM 16 O ARG A 2 4.410 6.546 -6.754 1.00 0.00 O ATOM 17 CB ARG A 2 1.327 7.362 -5.846 1.00 0.00 C ATOM 18 CG ARG A 2 1.128 6.460 -7.070 1.00 0.00 C ATOM 19 CD ARG A 2 -0.296 5.895 -7.067 1.00 0.00 C ATOM 20 NE ARG A 2 -0.521 5.016 -8.221 1.00 0.00 N ATOM 21 CZ ARG A 2 -1.621 4.267 -8.410 1.00 0.00 C ATOM 22 NH1 ARG A 2 -2.619 4.277 -7.516 1.00 0.00 N ATOM 23 NH2 ARG A 2 -1.722 3.504 -9.507 1.00 0.00 N ATOM 0 H ARG A 2 3.521 8.455 -7.581 1.00 0.00 H new ATOM 0 HA ARG A 2 2.787 8.450 -4.761 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.090 6.795 -4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.619 8.189 -5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.303 7.027 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.853 5.646 -7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.468 5.340 -6.145 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.015 6.714 -7.085 1.00 0.00 H new ATOM 0 HE ARG A 2 0.210 4.970 -8.931 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.549 4.858 -6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.448 3.704 -7.671 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.967 3.494 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.554 2.933 -9.656 1.00 0.00 H new ATOM 37 N CYS A 3 4.017 6.209 -4.556 1.00 0.00 N ATOM 38 CA CYS A 3 4.947 5.102 -4.397 1.00 0.00 C ATOM 39 C CYS A 3 4.279 3.794 -4.809 1.00 0.00 C ATOM 40 O CYS A 3 3.057 3.669 -4.747 1.00 0.00 O ATOM 41 CB CYS A 3 5.424 5.073 -2.947 1.00 0.00 C ATOM 42 SG CYS A 3 6.734 3.887 -2.556 1.00 0.00 S ATOM 0 H CYS A 3 3.543 6.471 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 3 5.814 5.233 -5.044 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.776 6.070 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.567 4.858 -2.309 1.00 0.00 H new ATOM 47 N LYS A 4 5.092 2.828 -5.245 1.00 0.00 N ATOM 48 CA LYS A 4 4.677 1.467 -5.542 1.00 0.00 C ATOM 49 C LYS A 4 4.669 0.624 -4.265 1.00 0.00 C ATOM 50 O LYS A 4 3.722 -0.123 -4.025 1.00 0.00 O ATOM 51 CB LYS A 4 5.600 0.897 -6.628 1.00 0.00 C ATOM 52 CG LYS A 4 5.109 -0.454 -7.164 1.00 0.00 C ATOM 53 CD LYS A 4 5.959 -0.959 -8.341 1.00 0.00 C ATOM 54 CE LYS A 4 5.765 -0.122 -9.615 1.00 0.00 C ATOM 55 NZ LYS A 4 6.417 -0.736 -10.787 1.00 0.00 N ATOM 0 H LYS A 4 6.088 2.983 -5.404 1.00 0.00 H new ATOM 0 HA LYS A 4 3.657 1.451 -5.925 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.669 1.608 -7.451 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.605 0.780 -6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.131 -1.191 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.071 -0.360 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.011 -0.943 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.702 -1.997 -8.551 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.699 -0.006 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.171 0.877 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.258 -0.182 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.702 -1.709 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.752 -0.751 -11.586 1.00 0.00 H new ATOM 69 N VAL A 5 5.721 0.758 -3.447 1.00 0.00 N ATOM 70 CA VAL A 5 5.991 -0.107 -2.307 1.00 0.00 C ATOM 71 C VAL A 5 4.946 0.109 -1.211 1.00 0.00 C ATOM 72 O VAL A 5 4.091 -0.750 -1.002 1.00 0.00 O ATOM 73 CB VAL A 5 7.420 0.130 -1.794 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.756 -0.813 -0.630 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.449 -0.083 -2.907 1.00 0.00 C ATOM 0 H VAL A 5 6.420 1.490 -3.568 1.00 0.00 H new ATOM 0 HA VAL A 5 5.919 -1.149 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 5 7.464 1.163 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.773 -0.622 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.059 -0.641 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.674 -1.847 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.451 0.092 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.378 -1.106 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.252 0.613 -3.722 1.00 0.00 H new ATOM 85 N CYS A 6 5.009 1.252 -0.514 1.00 0.00 N ATOM 86 CA CYS A 6 4.037 1.596 0.516 1.00 0.00 C ATOM 87 C CYS A 6 2.673 1.969 -0.075 1.00 0.00 C ATOM 88 O CYS A 6 1.702 2.043 0.676 1.00 0.00 O ATOM 89 CB CYS A 6 4.578 2.694 1.440 1.00 0.00 C ATOM 90 SG CYS A 6 4.953 4.296 0.682 1.00 0.00 S ATOM 0 H CYS A 6 5.734 1.956 -0.652 1.00 0.00 H new ATOM 0 HA CYS A 6 3.877 0.703 1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.850 2.857 2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.487 2.322 1.912 1.00 0.00 H new ATOM 95 N ARG A 7 2.590 2.188 -1.399 1.00 0.00 N ATOM 96 CA ARG A 7 1.336 2.337 -2.126 1.00 0.00 C ATOM 97 C ARG A 7 0.571 3.537 -1.564 1.00 0.00 C ATOM 98 O ARG A 7 -0.507 3.384 -0.991 1.00 0.00 O ATOM 99 CB ARG A 7 0.553 1.015 -2.083 1.00 0.00 C ATOM 100 CG ARG A 7 -0.619 1.001 -3.074 1.00 0.00 C ATOM 101 CD ARG A 7 -1.344 -0.348 -3.023 1.00 0.00 C ATOM 102 NE ARG A 7 -1.935 -0.582 -1.698 1.00 0.00 N ATOM 103 CZ ARG A 7 -2.267 -1.782 -1.190 1.00 0.00 C ATOM 104 NH1 ARG A 7 -2.122 -2.901 -1.914 1.00 0.00 N ATOM 105 NH2 ARG A 7 -2.748 -1.858 0.058 1.00 0.00 N ATOM 0 H ARG A 7 3.413 2.266 -1.997 1.00 0.00 H new ATOM 0 HA ARG A 7 1.512 2.547 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.227 0.188 -2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.175 0.852 -1.074 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.315 1.805 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.252 1.186 -4.084 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.125 -0.373 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.644 -1.150 -3.259 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.108 0.236 -1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.755 -2.850 -2.864 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.378 -3.804 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.860 -1.010 0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.003 -2.764 0.452 1.00 0.00 H new ATOM 119 N LYS A 8 1.154 4.733 -1.715 1.00 0.00 N ATOM 120 CA LYS A 8 0.681 5.930 -1.039 1.00 0.00 C ATOM 121 C LYS A 8 1.138 7.191 -1.775 1.00 0.00 C ATOM 122 O LYS A 8 2.210 7.214 -2.380 1.00 0.00 O ATOM 123 CB LYS A 8 1.209 5.899 0.403 1.00 0.00 C ATOM 124 CG LYS A 8 0.794 7.112 1.247 1.00 0.00 C ATOM 125 CD LYS A 8 1.352 7.041 2.677 1.00 0.00 C ATOM 126 CE LYS A 8 0.857 5.848 3.504 1.00 0.00 C ATOM 127 NZ LYS A 8 -0.612 5.806 3.596 1.00 0.00 N ATOM 0 H LYS A 8 1.967 4.890 -2.311 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.409 5.952 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.852 4.991 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.297 5.841 0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.146 8.025 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.294 7.171 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.440 7.002 2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.090 7.961 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.218 4.922 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.281 5.902 4.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.898 5.035 4.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.962 6.711 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.014 5.642 2.651 1.00 0.00 H new ATOM 141 N LYS A 9 0.285 8.220 -1.720 1.00 0.00 N ATOM 142 CA LYS A 9 0.559 9.590 -2.127 1.00 0.00 C ATOM 143 C LYS A 9 0.408 10.471 -0.883 1.00 0.00 C ATOM 144 O LYS A 9 -0.383 10.155 0.006 1.00 0.00 O ATOM 145 CB LYS A 9 -0.421 10.013 -3.232 1.00 0.00 C ATOM 146 CG LYS A 9 -0.268 11.503 -3.556 1.00 0.00 C ATOM 147 CD LYS A 9 -1.039 11.923 -4.810 1.00 0.00 C ATOM 148 CE LYS A 9 -1.102 13.453 -4.917 1.00 0.00 C ATOM 149 NZ LYS A 9 0.227 14.084 -4.813 1.00 0.00 N ATOM 0 H LYS A 9 -0.666 8.106 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 9 1.566 9.689 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.241 9.421 -4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.444 9.809 -2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.616 12.092 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.789 11.733 -3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.556 11.510 -5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.049 11.513 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.558 13.729 -5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.748 13.842 -4.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.142 15.105 -4.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.610 13.931 -3.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.868 13.662 -5.515 1.00 0.00 H new ATOM 163 N GLY A 10 1.159 11.576 -0.830 1.00 0.00 N ATOM 164 CA GLY A 10 1.128 12.527 0.268 1.00 0.00 C ATOM 165 C GLY A 10 2.534 13.068 0.480 1.00 0.00 C ATOM 166 O GLY A 10 2.769 14.269 0.345 1.00 0.00 O ATOM 0 H GLY A 10 1.816 11.832 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.439 13.341 0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.767 12.045 1.176 1.00 0.00 H new ATOM 170 N GLU A 11 3.474 12.160 0.763 1.00 0.00 N ATOM 171 CA GLU A 11 4.899 12.436 0.799 1.00 0.00 C ATOM 172 C GLU A 11 5.446 12.534 -0.630 1.00 0.00 C ATOM 173 O GLU A 11 6.308 11.750 -1.025 1.00 0.00 O ATOM 174 CB GLU A 11 5.635 11.366 1.626 1.00 0.00 C ATOM 175 CG GLU A 11 4.928 10.980 2.935 1.00 0.00 C ATOM 176 CD GLU A 11 4.006 9.773 2.746 1.00 0.00 C ATOM 177 OE1 GLU A 11 2.827 9.996 2.394 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.505 8.643 2.935 1.00 0.00 O ATOM 0 H GLU A 11 3.250 11.188 0.978 1.00 0.00 H new ATOM 0 HA GLU A 11 5.070 13.395 1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.756 10.472 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.635 11.730 1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 11 5.673 10.753 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.348 11.828 3.299 1.00 0.00 H new ATOM 185 N ASP A 12 4.958 13.512 -1.405 1.00 0.00 N ATOM 186 CA ASP A 12 5.485 13.857 -2.719 1.00 0.00 C ATOM 187 C ASP A 12 6.773 14.673 -2.554 1.00 0.00 C ATOM 188 O ASP A 12 6.861 15.814 -3.003 1.00 0.00 O ATOM 189 CB ASP A 12 4.419 14.617 -3.525 1.00 0.00 C ATOM 190 CG ASP A 12 3.199 13.758 -3.850 1.00 0.00 C ATOM 191 OD1 ASP A 12 2.358 13.573 -2.943 1.00 0.00 O ATOM 192 OD2 ASP A 12 3.097 13.330 -5.022 1.00 0.00 O ATOM 0 H ASP A 12 4.169 14.094 -1.124 1.00 0.00 H new ATOM 0 HA ASP A 12 5.732 12.952 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.101 15.494 -2.961 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.861 14.978 -4.454 1.00 0.00 H new ATOM 197 N ASP A 13 7.770 14.069 -1.897 1.00 0.00 N ATOM 198 CA ASP A 13 9.022 14.703 -1.520 1.00 0.00 C ATOM 199 C ASP A 13 9.991 14.605 -2.695 1.00 0.00 C ATOM 200 O ASP A 13 10.222 15.584 -3.403 1.00 0.00 O ATOM 201 CB ASP A 13 9.555 14.029 -0.247 1.00 0.00 C ATOM 202 CG ASP A 13 10.987 14.446 0.073 1.00 0.00 C ATOM 203 OD1 ASP A 13 11.173 15.636 0.407 1.00 0.00 O ATOM 204 OD2 ASP A 13 11.871 13.567 -0.031 1.00 0.00 O ATOM 0 H ASP A 13 7.718 13.092 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 13 8.886 15.761 -1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.909 14.282 0.593 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.512 12.946 -0.367 1.00 0.00 H new ATOM 209 N LYS A 14 10.533 13.403 -2.905 1.00 0.00 N ATOM 210 CA LYS A 14 11.431 13.075 -3.996 1.00 0.00 C ATOM 211 C LYS A 14 11.406 11.558 -4.162 1.00 0.00 C ATOM 212 O LYS A 14 12.265 10.852 -3.635 1.00 0.00 O ATOM 213 CB LYS A 14 12.834 13.621 -3.696 1.00 0.00 C ATOM 214 CG LYS A 14 13.819 13.350 -4.840 1.00 0.00 C ATOM 215 CD LYS A 14 15.196 13.931 -4.492 1.00 0.00 C ATOM 216 CE LYS A 14 16.251 13.567 -5.542 1.00 0.00 C ATOM 217 NZ LYS A 14 15.968 14.179 -6.852 1.00 0.00 N ATOM 0 H LYS A 14 10.347 12.608 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 14 11.120 13.536 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.774 14.695 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.210 13.166 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.901 12.277 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.449 13.796 -5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.123 15.016 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.511 13.560 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.232 13.891 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.294 12.483 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.716 13.919 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.051 13.837 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.936 15.214 -6.752 1.00 0.00 H new ATOM 231 N LEU A 15 10.397 11.052 -4.880 1.00 0.00 N ATOM 232 CA LEU A 15 10.303 9.637 -5.195 1.00 0.00 C ATOM 233 C LEU A 15 11.385 9.268 -6.211 1.00 0.00 C ATOM 234 O LEU A 15 11.733 10.063 -7.084 1.00 0.00 O ATOM 235 CB LEU A 15 8.900 9.271 -5.701 1.00 0.00 C ATOM 236 CG LEU A 15 7.850 9.205 -4.576 1.00 0.00 C ATOM 237 CD1 LEU A 15 7.477 10.585 -4.018 1.00 0.00 C ATOM 238 CD2 LEU A 15 6.583 8.527 -5.103 1.00 0.00 C ATOM 0 H LEU A 15 9.632 11.614 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 15 10.468 9.059 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.584 10.006 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.943 8.306 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 15 8.296 8.633 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.734 10.470 -3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.367 11.065 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.065 11.201 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.838 8.479 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.184 9.101 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.823 7.517 -5.437 1.00 0.00 H new ATOM 250 N ILE A 16 11.919 8.054 -6.064 1.00 0.00 N ATOM 251 CA ILE A 16 13.092 7.537 -6.744 1.00 0.00 C ATOM 252 C ILE A 16 12.705 6.215 -7.411 1.00 0.00 C ATOM 253 O ILE A 16 12.502 5.200 -6.746 1.00 0.00 O ATOM 254 CB ILE A 16 14.270 7.430 -5.752 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.444 6.653 -6.369 1.00 0.00 C ATOM 256 CG2 ILE A 16 13.884 6.817 -4.395 1.00 0.00 C ATOM 257 CD1 ILE A 16 16.783 7.052 -5.741 1.00 0.00 C ATOM 0 H ILE A 16 11.514 7.369 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 16 13.439 8.208 -7.530 1.00 0.00 H new ATOM 0 HB ILE A 16 14.578 8.457 -5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.283 5.583 -6.233 1.00 0.00 H new ATOM 0 HG13 ILE A 16 15.477 6.837 -7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 16 14.763 6.774 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.118 7.432 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.497 5.809 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 16 17.587 6.480 -6.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 16.956 8.116 -5.900 1.00 0.00 H new ATOM 0 HD13 ILE A 16 16.760 6.844 -4.671 1.00 0.00 H new ATOM 269 N LEU A 17 12.575 6.241 -8.742 1.00 0.00 N ATOM 270 CA LEU A 17 12.394 5.043 -9.541 1.00 0.00 C ATOM 271 C LEU A 17 13.710 4.268 -9.587 1.00 0.00 C ATOM 272 O LEU A 17 14.768 4.853 -9.818 1.00 0.00 O ATOM 273 CB LEU A 17 11.915 5.403 -10.954 1.00 0.00 C ATOM 274 CG LEU A 17 10.395 5.625 -11.040 1.00 0.00 C ATOM 275 CD1 LEU A 17 9.916 6.822 -10.211 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.003 5.838 -12.507 1.00 0.00 C ATOM 0 H LEU A 17 12.594 7.102 -9.289 1.00 0.00 H new ATOM 0 HA LEU A 17 11.628 4.415 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.427 6.306 -11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.199 4.606 -11.641 1.00 0.00 H new ATOM 0 HG LEU A 17 9.915 4.738 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.836 6.926 -10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.168 6.663 -9.163 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.403 7.730 -10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.927 5.996 -12.577 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.524 6.711 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.279 4.958 -13.089 1.00 0.00 H new ATOM 288 N CYS A 18 13.636 2.949 -9.378 1.00 0.00 N ATOM 289 CA CYS A 18 14.759 2.053 -9.602 1.00 0.00 C ATOM 290 C CYS A 18 15.039 1.946 -11.100 1.00 0.00 C ATOM 291 O CYS A 18 14.119 1.726 -11.884 1.00 0.00 O ATOM 292 CB CYS A 18 14.461 0.680 -8.997 1.00 0.00 C ATOM 293 SG CYS A 18 15.653 -0.595 -9.472 1.00 0.00 S ATOM 0 H CYS A 18 12.792 2.480 -9.049 1.00 0.00 H new ATOM 0 HA CYS A 18 15.648 2.452 -9.113 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.448 0.766 -7.910 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.464 0.366 -9.304 1.00 0.00 H new ATOM 298 N ASP A 19 16.310 2.096 -11.490 1.00 0.00 N ATOM 299 CA ASP A 19 16.729 2.104 -12.884 1.00 0.00 C ATOM 300 C ASP A 19 16.368 0.783 -13.564 1.00 0.00 C ATOM 301 O ASP A 19 15.699 0.773 -14.595 1.00 0.00 O ATOM 302 CB ASP A 19 18.235 2.386 -12.959 1.00 0.00 C ATOM 303 CG ASP A 19 18.720 2.417 -14.405 1.00 0.00 C ATOM 304 OD1 ASP A 19 18.518 3.468 -15.049 1.00 0.00 O ATOM 305 OD2 ASP A 19 19.281 1.388 -14.840 1.00 0.00 O ATOM 0 H ASP A 19 17.081 2.216 -10.833 1.00 0.00 H new ATOM 0 HA ASP A 19 16.202 2.894 -13.419 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.453 3.340 -12.479 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.779 1.620 -12.407 1.00 0.00 H new ATOM 310 N GLU A 20 16.799 -0.324 -12.954 1.00 0.00 N ATOM 311 CA GLU A 20 16.745 -1.656 -13.537 1.00 0.00 C ATOM 312 C GLU A 20 15.307 -2.090 -13.833 1.00 0.00 C ATOM 313 O GLU A 20 15.009 -2.476 -14.962 1.00 0.00 O ATOM 314 CB GLU A 20 17.435 -2.633 -12.578 1.00 0.00 C ATOM 315 CG GLU A 20 17.451 -4.083 -13.076 1.00 0.00 C ATOM 316 CD GLU A 20 18.026 -5.015 -12.013 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.128 -4.700 -11.516 1.00 0.00 O ATOM 318 OE2 GLU A 20 17.343 -6.014 -11.699 1.00 0.00 O ATOM 0 H GLU A 20 17.204 -0.313 -12.018 1.00 0.00 H new ATOM 0 HA GLU A 20 17.265 -1.650 -14.495 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.461 -2.304 -12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.931 -2.596 -11.612 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.438 -4.396 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.045 -4.153 -13.987 1.00 0.00 H new ATOM 325 N CYS A 21 14.428 -2.037 -12.822 1.00 0.00 N ATOM 326 CA CYS A 21 13.094 -2.633 -12.883 1.00 0.00 C ATOM 327 C CYS A 21 11.948 -1.627 -12.712 1.00 0.00 C ATOM 328 O CYS A 21 10.795 -2.051 -12.625 1.00 0.00 O ATOM 329 CB CYS A 21 13.016 -3.792 -11.879 1.00 0.00 C ATOM 330 SG CYS A 21 13.405 -3.388 -10.156 1.00 0.00 S ATOM 0 H CYS A 21 14.628 -1.575 -11.935 1.00 0.00 H new ATOM 0 HA CYS A 21 12.951 -3.019 -13.892 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.009 -4.208 -11.914 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.697 -4.577 -12.209 1.00 0.00 H new ATOM 335 N ASN A 22 12.235 -0.317 -12.688 1.00 0.00 N ATOM 336 CA ASN A 22 11.234 0.746 -12.752 1.00 0.00 C ATOM 337 C ASN A 22 10.155 0.568 -11.678 1.00 0.00 C ATOM 338 O ASN A 22 8.965 0.462 -11.972 1.00 0.00 O ATOM 339 CB ASN A 22 10.685 0.857 -14.183 1.00 0.00 C ATOM 340 CG ASN A 22 10.054 2.222 -14.460 1.00 0.00 C ATOM 341 OD1 ASN A 22 10.651 3.057 -15.134 1.00 0.00 O ATOM 342 ND2 ASN A 22 8.840 2.453 -13.958 1.00 0.00 N ATOM 0 H ASN A 22 13.190 0.035 -12.622 1.00 0.00 H new ATOM 0 HA ASN A 22 11.701 1.703 -12.520 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.493 0.682 -14.894 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.942 0.076 -14.346 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.379 3.346 -14.130 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.373 1.736 -13.402 1.00 0.00 H new ATOM 349 N LYS A 23 10.595 0.517 -10.416 1.00 0.00 N ATOM 350 CA LYS A 23 9.747 0.507 -9.243 1.00 0.00 C ATOM 351 C LYS A 23 9.896 1.850 -8.533 1.00 0.00 C ATOM 352 O LYS A 23 11.009 2.226 -8.172 1.00 0.00 O ATOM 353 CB LYS A 23 10.182 -0.645 -8.336 1.00 0.00 C ATOM 354 CG LYS A 23 9.927 -2.016 -8.977 1.00 0.00 C ATOM 355 CD LYS A 23 10.337 -3.138 -8.017 1.00 0.00 C ATOM 356 CE LYS A 23 10.086 -4.511 -8.650 1.00 0.00 C ATOM 357 NZ LYS A 23 10.558 -5.603 -7.780 1.00 0.00 N ATOM 0 H LYS A 23 11.588 0.481 -10.187 1.00 0.00 H new ATOM 0 HA LYS A 23 8.700 0.363 -9.511 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.243 -0.544 -8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.645 -0.583 -7.390 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.872 -2.115 -9.233 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.490 -2.100 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.392 -3.037 -7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.774 -3.052 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.020 -4.634 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.594 -4.567 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.372 -6.518 -8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.580 -5.499 -7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.055 -5.564 -6.870 1.00 0.00 H new ATOM 371 N ALA A 24 8.779 2.563 -8.341 1.00 0.00 N ATOM 372 CA ALA A 24 8.732 3.788 -7.557 1.00 0.00 C ATOM 373 C ALA A 24 8.898 3.459 -6.075 1.00 0.00 C ATOM 374 O ALA A 24 7.967 2.975 -5.435 1.00 0.00 O ATOM 375 CB ALA A 24 7.419 4.529 -7.828 1.00 0.00 C ATOM 0 H ALA A 24 7.876 2.296 -8.733 1.00 0.00 H new ATOM 0 HA ALA A 24 9.552 4.445 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.390 5.445 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.353 4.777 -8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.578 3.893 -7.552 1.00 0.00 H new ATOM 381 N PHE A 25 10.097 3.707 -5.544 1.00 0.00 N ATOM 382 CA PHE A 25 10.403 3.667 -4.122 1.00 0.00 C ATOM 383 C PHE A 25 10.575 5.102 -3.618 1.00 0.00 C ATOM 384 O PHE A 25 10.931 5.981 -4.396 1.00 0.00 O ATOM 385 CB PHE A 25 11.733 2.915 -3.926 1.00 0.00 C ATOM 386 CG PHE A 25 11.649 1.399 -3.842 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.314 0.630 -4.971 1.00 0.00 C ATOM 388 CD2 PHE A 25 12.003 0.745 -2.648 1.00 0.00 C ATOM 389 CE1 PHE A 25 11.284 -0.774 -4.888 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.971 -0.657 -2.560 1.00 0.00 C ATOM 391 CZ PHE A 25 11.594 -1.419 -3.678 1.00 0.00 C ATOM 0 H PHE A 25 10.906 3.949 -6.116 1.00 0.00 H new ATOM 0 HA PHE A 25 9.602 3.168 -3.577 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.397 3.175 -4.751 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.201 3.282 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.079 1.119 -5.905 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.303 1.327 -1.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.022 -1.359 -5.757 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.236 -1.147 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.543 -2.496 -3.608 1.00 0.00 H new ATOM 401 N HIS A 26 10.283 5.362 -2.339 1.00 0.00 N ATOM 402 CA HIS A 26 10.680 6.613 -1.703 1.00 0.00 C ATOM 403 C HIS A 26 12.124 6.420 -1.237 1.00 0.00 C ATOM 404 O HIS A 26 12.615 5.294 -1.145 1.00 0.00 O ATOM 405 CB HIS A 26 9.830 6.938 -0.467 1.00 0.00 C ATOM 406 CG HIS A 26 8.455 7.488 -0.725 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.265 6.765 -0.639 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.172 8.813 -0.897 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.288 7.679 -0.756 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.803 8.910 -0.927 1.00 0.00 N ATOM 0 H HIS A 26 9.774 4.722 -1.729 1.00 0.00 H new ATOM 0 HA HIS A 26 10.555 7.429 -2.415 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.728 6.029 0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.376 7.657 0.143 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.882 9.621 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.232 7.456 -0.718 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.268 9.769 -1.057 1.00 0.00 H new ATOM 418 N LEU A 27 12.789 7.524 -0.892 1.00 0.00 N ATOM 419 CA LEU A 27 14.076 7.501 -0.212 1.00 0.00 C ATOM 420 C LEU A 27 13.962 6.682 1.083 1.00 0.00 C ATOM 421 O LEU A 27 14.850 5.898 1.411 1.00 0.00 O ATOM 422 CB LEU A 27 14.515 8.946 0.065 1.00 0.00 C ATOM 423 CG LEU A 27 14.729 9.757 -1.226 1.00 0.00 C ATOM 424 CD1 LEU A 27 14.914 11.241 -0.897 1.00 0.00 C ATOM 425 CD2 LEU A 27 15.965 9.267 -1.986 1.00 0.00 C ATOM 0 H LEU A 27 12.443 8.465 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 27 14.831 7.025 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.762 9.439 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.440 8.937 0.642 1.00 0.00 H new ATOM 0 HG LEU A 27 13.846 9.620 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.064 11.802 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.026 11.614 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.783 11.365 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.092 9.857 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.847 9.377 -1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.837 8.218 -2.251 1.00 0.00 H new ATOM 437 N PHE A 28 12.823 6.824 1.773 1.00 0.00 N ATOM 438 CA PHE A 28 12.439 6.032 2.934 1.00 0.00 C ATOM 439 C PHE A 28 12.398 4.537 2.596 1.00 0.00 C ATOM 440 O PHE A 28 13.017 3.730 3.287 1.00 0.00 O ATOM 441 CB PHE A 28 11.077 6.510 3.475 1.00 0.00 C ATOM 442 CG PHE A 28 10.805 8.002 3.360 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.772 8.937 3.780 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.639 8.454 2.708 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.604 10.303 3.495 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.470 9.820 2.426 1.00 0.00 C ATOM 447 CZ PHE A 28 10.459 10.744 2.806 1.00 0.00 C ATOM 0 H PHE A 28 12.122 7.521 1.523 1.00 0.00 H new ATOM 0 HA PHE A 28 13.192 6.173 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.289 5.974 2.946 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.005 6.227 4.525 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.644 8.603 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.873 7.747 2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.355 11.015 3.805 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.580 10.160 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.340 11.791 2.569 1.00 0.00 H new ATOM 457 N CYS A 29 11.655 4.174 1.539 1.00 0.00 N ATOM 458 CA CYS A 29 11.328 2.792 1.201 1.00 0.00 C ATOM 459 C CYS A 29 12.566 2.030 0.729 1.00 0.00 C ATOM 460 O CYS A 29 12.650 0.824 0.956 1.00 0.00 O ATOM 461 CB CYS A 29 10.225 2.743 0.133 1.00 0.00 C ATOM 462 SG CYS A 29 8.695 3.608 0.580 1.00 0.00 S ATOM 0 H CYS A 29 11.260 4.851 0.886 1.00 0.00 H new ATOM 0 HA CYS A 29 10.959 2.306 2.104 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.613 3.174 -0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.988 1.700 -0.077 1.00 0.00 H new ATOM 467 N LEU A 30 13.512 2.710 0.060 1.00 0.00 N ATOM 468 CA LEU A 30 14.818 2.137 -0.244 1.00 0.00 C ATOM 469 C LEU A 30 15.473 1.650 1.046 1.00 0.00 C ATOM 470 O LEU A 30 15.668 0.452 1.236 1.00 0.00 O ATOM 471 CB LEU A 30 15.732 3.155 -0.945 1.00 0.00 C ATOM 472 CG LEU A 30 15.364 3.494 -2.397 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.336 4.564 -2.902 1.00 0.00 C ATOM 474 CD2 LEU A 30 15.467 2.282 -3.327 1.00 0.00 C ATOM 0 H LEU A 30 13.387 3.664 -0.279 1.00 0.00 H new ATOM 0 HA LEU A 30 14.672 1.298 -0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.729 4.078 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.752 2.771 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 30 14.330 3.838 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.092 4.820 -3.933 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.254 5.454 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.355 4.181 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.196 2.577 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.489 1.904 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.789 1.501 -2.983 1.00 0.00 H new ATOM 486 N ARG A 31 15.815 2.600 1.918 1.00 0.00 N ATOM 487 CA ARG A 31 16.520 2.352 3.161 1.00 0.00 C ATOM 488 C ARG A 31 16.485 3.660 3.953 1.00 0.00 C ATOM 489 O ARG A 31 16.966 4.668 3.442 1.00 0.00 O ATOM 490 CB ARG A 31 17.960 1.903 2.854 1.00 0.00 C ATOM 491 CG ARG A 31 18.704 1.429 4.108 1.00 0.00 C ATOM 492 CD ARG A 31 20.030 0.754 3.733 1.00 0.00 C ATOM 493 NE ARG A 31 19.800 -0.519 3.031 1.00 0.00 N ATOM 494 CZ ARG A 31 20.756 -1.294 2.489 1.00 0.00 C ATOM 495 NH1 ARG A 31 22.046 -0.940 2.561 1.00 0.00 N ATOM 496 NH2 ARG A 31 20.412 -2.434 1.873 1.00 0.00 N ATOM 0 H ARG A 31 15.600 3.586 1.768 1.00 0.00 H new ATOM 0 HA ARG A 31 16.058 1.556 3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.938 1.096 2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.507 2.730 2.401 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.896 2.277 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.080 0.730 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.614 1.421 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 31 20.617 0.575 4.634 1.00 0.00 H new ATOM 0 HE ARG A 31 18.835 -0.840 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 31 22.312 -0.075 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 31 22.762 -1.536 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.431 -2.708 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A 31 21.131 -3.027 1.459 1.00 0.00 H new ATOM 510 N PRO A 32 15.921 3.679 5.173 1.00 0.00 N ATOM 511 CA PRO A 32 15.649 4.911 5.900 1.00 0.00 C ATOM 512 C PRO A 32 16.924 5.722 6.154 1.00 0.00 C ATOM 513 O PRO A 32 16.877 6.948 6.104 1.00 0.00 O ATOM 514 CB PRO A 32 14.975 4.479 7.206 1.00 0.00 C ATOM 515 CG PRO A 32 15.540 3.079 7.444 1.00 0.00 C ATOM 516 CD PRO A 32 15.689 2.526 6.027 1.00 0.00 C ATOM 0 HA PRO A 32 15.006 5.576 5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 32 15.216 5.155 8.026 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.889 4.465 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.496 3.113 7.967 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.868 2.469 8.047 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.519 1.822 5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.792 1.987 5.721 1.00 0.00 H new ATOM 524 N ALA A 33 18.056 5.043 6.385 1.00 0.00 N ATOM 525 CA ALA A 33 19.382 5.648 6.474 1.00 0.00 C ATOM 526 C ALA A 33 19.669 6.611 5.320 1.00 0.00 C ATOM 527 O ALA A 33 20.218 7.689 5.541 1.00 0.00 O ATOM 528 CB ALA A 33 20.444 4.547 6.533 1.00 0.00 C ATOM 0 H ALA A 33 18.070 4.032 6.518 1.00 0.00 H new ATOM 0 HA ALA A 33 19.414 6.241 7.388 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.434 4.999 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.271 3.921 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.384 3.935 5.633 1.00 0.00 H new ATOM 534 N LEU A 34 19.296 6.222 4.096 1.00 0.00 N ATOM 535 CA LEU A 34 19.305 7.109 2.941 1.00 0.00 C ATOM 536 C LEU A 34 18.091 8.038 3.010 1.00 0.00 C ATOM 537 O LEU A 34 17.132 7.881 2.256 1.00 0.00 O ATOM 538 CB LEU A 34 19.359 6.314 1.629 1.00 0.00 C ATOM 539 CG LEU A 34 20.772 5.857 1.232 1.00 0.00 C ATOM 540 CD1 LEU A 34 21.689 7.020 0.827 1.00 0.00 C ATOM 541 CD2 LEU A 34 21.447 4.979 2.293 1.00 0.00 C ATOM 0 H LEU A 34 18.978 5.276 3.884 1.00 0.00 H new ATOM 0 HA LEU A 34 20.206 7.722 2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.717 5.438 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.948 6.928 0.827 1.00 0.00 H new ATOM 0 HG LEU A 34 20.620 5.236 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.671 6.632 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.259 7.542 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.789 7.713 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 34 22.441 4.692 1.949 1.00 0.00 H new ATOM 0 HD22 LEU A 34 21.533 5.537 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.848 4.084 2.459 1.00 0.00 H new ATOM 553 N TYR A 35 18.143 9.006 3.931 1.00 0.00 N ATOM 554 CA TYR A 35 17.198 10.112 3.980 1.00 0.00 C ATOM 555 C TYR A 35 17.471 11.019 2.780 1.00 0.00 C ATOM 556 O TYR A 35 16.546 11.451 2.097 1.00 0.00 O ATOM 557 CB TYR A 35 17.359 10.891 5.292 1.00 0.00 C ATOM 558 CG TYR A 35 17.061 10.083 6.539 1.00 0.00 C ATOM 559 CD1 TYR A 35 15.727 9.812 6.896 1.00 0.00 C ATOM 560 CD2 TYR A 35 18.112 9.590 7.335 1.00 0.00 C ATOM 561 CE1 TYR A 35 15.444 9.049 8.043 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.829 8.824 8.479 1.00 0.00 C ATOM 563 CZ TYR A 35 16.496 8.546 8.828 1.00 0.00 C ATOM 564 OH TYR A 35 16.226 7.787 9.930 1.00 0.00 O ATOM 0 H TYR A 35 18.849 9.039 4.666 1.00 0.00 H new ATOM 0 HA TYR A 35 16.175 9.738 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.380 11.269 5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.699 11.758 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.919 10.191 6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 35 19.137 9.800 7.067 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.419 8.850 8.320 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.636 8.449 9.090 1.00 0.00 H new ATOM 0 HH TYR A 35 17.067 7.520 10.357 1.00 0.00 H new ATOM 574 N GLU A 36 18.759 11.289 2.544 1.00 0.00 N ATOM 575 CA GLU A 36 19.277 11.939 1.351 1.00 0.00 C ATOM 576 C GLU A 36 19.236 10.991 0.146 1.00 0.00 C ATOM 577 O GLU A 36 19.076 9.781 0.299 1.00 0.00 O ATOM 578 CB GLU A 36 20.704 12.435 1.630 1.00 0.00 C ATOM 579 CG GLU A 36 21.700 11.293 1.889 1.00 0.00 C ATOM 580 CD GLU A 36 23.059 11.838 2.317 1.00 0.00 C ATOM 581 OE1 GLU A 36 23.686 12.522 1.480 1.00 0.00 O ATOM 582 OE2 GLU A 36 23.443 11.567 3.476 1.00 0.00 O ATOM 0 H GLU A 36 19.493 11.048 3.210 1.00 0.00 H new ATOM 0 HA GLU A 36 18.648 12.794 1.102 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.050 13.025 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.689 13.099 2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.309 10.633 2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 36 21.813 10.693 0.986 1.00 0.00 H new ATOM 589 N VAL A 37 19.391 11.556 -1.057 1.00 0.00 N ATOM 590 CA VAL A 37 19.444 10.803 -2.304 1.00 0.00 C ATOM 591 C VAL A 37 20.784 10.062 -2.426 1.00 0.00 C ATOM 592 O VAL A 37 21.809 10.601 -2.009 1.00 0.00 O ATOM 593 CB VAL A 37 19.171 11.748 -3.492 1.00 0.00 C ATOM 594 CG1 VAL A 37 20.292 12.774 -3.712 1.00 0.00 C ATOM 595 CG2 VAL A 37 18.935 10.968 -4.791 1.00 0.00 C ATOM 0 H VAL A 37 19.484 12.563 -1.188 1.00 0.00 H new ATOM 0 HA VAL A 37 18.666 10.039 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 37 18.265 12.293 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 37 20.042 13.410 -4.561 1.00 0.00 H new ATOM 0 HG12 VAL A 37 20.403 13.389 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 37 21.228 12.253 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 37 18.746 11.667 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 37 19.817 10.371 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 37 18.074 10.311 -4.670 1.00 0.00 H new ATOM 605 N PRO A 38 20.801 8.833 -2.974 1.00 0.00 N ATOM 606 CA PRO A 38 22.039 8.156 -3.336 1.00 0.00 C ATOM 607 C PRO A 38 22.509 8.676 -4.694 1.00 0.00 C ATOM 608 O PRO A 38 21.785 8.574 -5.684 1.00 0.00 O ATOM 609 CB PRO A 38 21.704 6.663 -3.376 1.00 0.00 C ATOM 610 CG PRO A 38 20.209 6.636 -3.681 1.00 0.00 C ATOM 611 CD PRO A 38 19.689 7.893 -2.985 1.00 0.00 C ATOM 0 HA PRO A 38 22.848 8.337 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.279 6.144 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 38 21.928 6.177 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.016 6.660 -4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.735 5.735 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.832 8.308 -3.517 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.357 7.669 -1.971 1.00 0.00 H new ATOM 619 N ASP A 39 23.718 9.243 -4.744 1.00 0.00 N ATOM 620 CA ASP A 39 24.232 9.974 -5.895 1.00 0.00 C ATOM 621 C ASP A 39 24.895 9.024 -6.901 1.00 0.00 C ATOM 622 O ASP A 39 26.036 9.236 -7.309 1.00 0.00 O ATOM 623 CB ASP A 39 25.168 11.098 -5.412 1.00 0.00 C ATOM 624 CG ASP A 39 26.405 10.594 -4.664 1.00 0.00 C ATOM 625 OD1 ASP A 39 26.218 9.832 -3.689 1.00 0.00 O ATOM 626 OD2 ASP A 39 27.517 10.997 -5.068 1.00 0.00 O ATOM 0 H ASP A 39 24.377 9.203 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 39 23.408 10.443 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.489 11.685 -6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.609 11.769 -4.760 1.00 0.00 H new ATOM 631 N GLY A 40 24.163 7.989 -7.330 1.00 0.00 N ATOM 632 CA GLY A 40 24.584 7.141 -8.434 1.00 0.00 C ATOM 633 C GLY A 40 23.594 6.002 -8.657 1.00 0.00 C ATOM 634 O GLY A 40 22.638 6.151 -9.416 1.00 0.00 O ATOM 0 H GLY A 40 23.268 7.723 -6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 40 24.669 7.737 -9.343 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.573 6.733 -8.227 1.00 0.00 H new ATOM 638 N GLU A 41 23.831 4.867 -7.990 1.00 0.00 N ATOM 639 CA GLU A 41 23.135 3.613 -8.238 1.00 0.00 C ATOM 640 C GLU A 41 21.739 3.662 -7.618 1.00 0.00 C ATOM 641 O GLU A 41 21.537 3.227 -6.485 1.00 0.00 O ATOM 642 CB GLU A 41 23.955 2.431 -7.693 1.00 0.00 C ATOM 643 CG GLU A 41 25.259 2.183 -8.470 1.00 0.00 C ATOM 644 CD GLU A 41 26.289 3.302 -8.325 1.00 0.00 C ATOM 645 OE1 GLU A 41 26.416 3.822 -7.195 1.00 0.00 O ATOM 646 OE2 GLU A 41 26.920 3.631 -9.353 1.00 0.00 O ATOM 0 H GLU A 41 24.528 4.800 -7.248 1.00 0.00 H new ATOM 0 HA GLU A 41 23.022 3.468 -9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 41 24.194 2.616 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 41 23.344 1.529 -7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.702 1.248 -8.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.022 2.055 -9.526 1.00 0.00 H new ATOM 653 N TRP A 42 20.770 4.174 -8.385 1.00 0.00 N ATOM 654 CA TRP A 42 19.355 4.119 -8.053 1.00 0.00 C ATOM 655 C TRP A 42 18.846 2.695 -8.279 1.00 0.00 C ATOM 656 O TRP A 42 18.222 2.401 -9.297 1.00 0.00 O ATOM 657 CB TRP A 42 18.588 5.162 -8.881 1.00 0.00 C ATOM 658 CG TRP A 42 18.854 6.607 -8.565 1.00 0.00 C ATOM 659 CD1 TRP A 42 19.848 7.090 -7.783 1.00 0.00 C ATOM 660 CD2 TRP A 42 18.085 7.777 -8.983 1.00 0.00 C ATOM 661 NE1 TRP A 42 19.747 8.459 -7.688 1.00 0.00 N ATOM 662 CE2 TRP A 42 18.675 8.941 -8.407 1.00 0.00 C ATOM 663 CE3 TRP A 42 16.938 7.973 -9.784 1.00 0.00 C ATOM 664 CZ2 TRP A 42 18.159 10.229 -8.614 1.00 0.00 C ATOM 665 CZ3 TRP A 42 16.410 9.260 -9.997 1.00 0.00 C ATOM 666 CH2 TRP A 42 17.018 10.386 -9.416 1.00 0.00 C ATOM 0 H TRP A 42 20.958 4.646 -9.269 1.00 0.00 H new ATOM 0 HA TRP A 42 19.193 4.365 -7.004 1.00 0.00 H new ATOM 0 HB2 TRP A 42 18.818 4.996 -9.933 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.521 4.978 -8.755 1.00 0.00 H new ATOM 0 HD1 TRP A 42 20.608 6.490 -7.305 1.00 0.00 H new ATOM 0 HE1 TRP A 42 20.387 9.045 -7.151 1.00 0.00 H new ATOM 0 HE3 TRP A 42 16.458 7.120 -10.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 18.633 11.088 -8.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 15.531 9.383 -10.612 1.00 0.00 H new ATOM 0 HH2 TRP A 42 16.608 11.370 -9.586 1.00 0.00 H new ATOM 677 N GLN A 43 19.141 1.816 -7.315 1.00 0.00 N ATOM 678 CA GLN A 43 18.818 0.400 -7.332 1.00 0.00 C ATOM 679 C GLN A 43 18.159 0.037 -6.004 1.00 0.00 C ATOM 680 O GLN A 43 18.619 0.467 -4.946 1.00 0.00 O ATOM 681 CB GLN A 43 20.101 -0.416 -7.542 1.00 0.00 C ATOM 682 CG GLN A 43 20.607 -0.323 -8.988 1.00 0.00 C ATOM 683 CD GLN A 43 19.704 -1.099 -9.945 1.00 0.00 C ATOM 684 OE1 GLN A 43 18.870 -0.516 -10.636 1.00 0.00 O ATOM 685 NE2 GLN A 43 19.879 -2.422 -9.976 1.00 0.00 N ATOM 0 H GLN A 43 19.634 2.093 -6.466 1.00 0.00 H new ATOM 0 HA GLN A 43 18.132 0.175 -8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 43 20.875 -0.058 -6.863 1.00 0.00 H new ATOM 0 HB3 GLN A 43 19.913 -1.460 -7.289 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.650 0.722 -9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.623 -0.714 -9.046 1.00 0.00 H new ATOM 0 HE21 GLN A 43 20.585 -2.857 -9.382 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.307 -2.998 -10.593 1.00 0.00 H new ATOM 694 N CYS A 44 17.074 -0.742 -6.068 1.00 0.00 N ATOM 695 CA CYS A 44 16.211 -1.008 -4.926 1.00 0.00 C ATOM 696 C CYS A 44 16.646 -2.283 -4.191 1.00 0.00 C ATOM 697 O CYS A 44 17.418 -3.070 -4.737 1.00 0.00 O ATOM 698 CB CYS A 44 14.752 -1.057 -5.387 1.00 0.00 C ATOM 699 SG CYS A 44 14.325 -2.357 -6.571 1.00 0.00 S ATOM 0 H CYS A 44 16.773 -1.207 -6.924 1.00 0.00 H new ATOM 0 HA CYS A 44 16.303 -0.197 -4.203 1.00 0.00 H new ATOM 0 HB2 CYS A 44 14.120 -1.175 -4.507 1.00 0.00 H new ATOM 0 HB3 CYS A 44 14.502 -0.094 -5.832 1.00 0.00 H new ATOM 704 N PRO A 45 16.152 -2.504 -2.961 1.00 0.00 N ATOM 705 CA PRO A 45 16.301 -3.754 -2.226 1.00 0.00 C ATOM 706 C PRO A 45 15.943 -5.031 -2.987 1.00 0.00 C ATOM 707 O PRO A 45 16.474 -6.089 -2.660 1.00 0.00 O ATOM 708 CB PRO A 45 15.445 -3.586 -0.974 1.00 0.00 C ATOM 709 CG PRO A 45 15.636 -2.106 -0.660 1.00 0.00 C ATOM 710 CD PRO A 45 15.720 -1.457 -2.044 1.00 0.00 C ATOM 0 HA PRO A 45 17.358 -3.910 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.399 -3.833 -1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.785 -4.224 -0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.804 -1.708 -0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.542 -1.932 -0.079 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.753 -1.053 -2.343 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.426 -0.626 -2.042 1.00 0.00 H new ATOM 718 N ALA A 46 15.044 -4.967 -3.978 1.00 0.00 N ATOM 719 CA ALA A 46 14.705 -6.134 -4.780 1.00 0.00 C ATOM 720 C ALA A 46 15.903 -6.549 -5.632 1.00 0.00 C ATOM 721 O ALA A 46 16.149 -7.742 -5.804 1.00 0.00 O ATOM 722 CB ALA A 46 13.478 -5.850 -5.650 1.00 0.00 C ATOM 0 H ALA A 46 14.543 -4.117 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 46 14.456 -6.961 -4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.240 -6.733 -6.242 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.630 -5.601 -5.012 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.690 -5.013 -6.316 1.00 0.00 H new ATOM 728 N CYS A 47 16.652 -5.566 -6.152 1.00 0.00 N ATOM 729 CA CYS A 47 17.877 -5.812 -6.882 1.00 0.00 C ATOM 730 C CYS A 47 19.011 -6.186 -5.926 1.00 0.00 C ATOM 731 O CYS A 47 19.661 -7.214 -6.108 1.00 0.00 O ATOM 732 CB CYS A 47 18.251 -4.582 -7.710 1.00 0.00 C ATOM 733 SG CYS A 47 16.963 -3.946 -8.812 1.00 0.00 S ATOM 0 H CYS A 47 16.413 -4.578 -6.071 1.00 0.00 H new ATOM 0 HA CYS A 47 17.717 -6.652 -7.558 1.00 0.00 H new ATOM 0 HB2 CYS A 47 18.544 -3.784 -7.027 1.00 0.00 H new ATOM 0 HB3 CYS A 47 19.128 -4.825 -8.310 1.00 0.00 H new ATOM 738 N GLN A 48 19.238 -5.342 -4.911 1.00 0.00 N ATOM 739 CA GLN A 48 20.391 -5.391 -4.025 1.00 0.00 C ATOM 740 C GLN A 48 19.910 -5.345 -2.567 1.00 0.00 C ATOM 741 O GLN A 48 19.936 -4.279 -1.951 1.00 0.00 O ATOM 742 CB GLN A 48 21.313 -4.214 -4.378 1.00 0.00 C ATOM 743 CG GLN A 48 22.660 -4.292 -3.648 1.00 0.00 C ATOM 744 CD GLN A 48 23.568 -3.106 -3.973 1.00 0.00 C ATOM 745 OE1 GLN A 48 23.173 -2.172 -4.667 1.00 0.00 O ATOM 746 NE2 GLN A 48 24.799 -3.138 -3.460 1.00 0.00 N ATOM 0 H GLN A 48 18.597 -4.582 -4.683 1.00 0.00 H new ATOM 0 HA GLN A 48 20.954 -6.316 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 48 21.485 -4.200 -5.454 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.817 -3.277 -4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.486 -4.329 -2.573 1.00 0.00 H new ATOM 0 HG3 GLN A 48 23.165 -5.218 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 48 25.093 -3.930 -2.888 1.00 0.00 H new ATOM 0 HE22 GLN A 48 25.446 -2.371 -3.640 1.00 0.00 H new ATOM 755 N PRO A 49 19.464 -6.478 -1.997 1.00 0.00 N ATOM 756 CA PRO A 49 18.923 -6.521 -0.646 1.00 0.00 C ATOM 757 C PRO A 49 20.038 -6.331 0.384 1.00 0.00 C ATOM 758 O PRO A 49 19.973 -5.424 1.213 1.00 0.00 O ATOM 759 CB PRO A 49 18.226 -7.880 -0.517 1.00 0.00 C ATOM 760 CG PRO A 49 18.903 -8.757 -1.571 1.00 0.00 C ATOM 761 CD PRO A 49 19.324 -7.767 -2.657 1.00 0.00 C ATOM 0 HA PRO A 49 18.213 -5.715 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 49 18.348 -8.296 0.483 1.00 0.00 H new ATOM 0 HB3 PRO A 49 17.155 -7.796 -0.699 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.762 -9.287 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.220 -9.512 -1.961 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.263 -8.072 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.579 -7.719 -3.451 1.00 0.00 H new ATOM 769 N ALA A 50 21.056 -7.195 0.323 1.00 0.00 N ATOM 770 CA ALA A 50 22.178 -7.231 1.245 1.00 0.00 C ATOM 771 C ALA A 50 23.334 -7.917 0.522 1.00 0.00 C ATOM 772 O ALA A 50 23.719 -9.036 0.862 1.00 0.00 O ATOM 773 CB ALA A 50 21.771 -7.963 2.529 1.00 0.00 C ATOM 0 H ALA A 50 21.116 -7.912 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 50 22.489 -6.230 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 50 22.616 -7.987 3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 50 20.937 -7.440 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 50 21.471 -8.982 2.287 1.00 0.00 H new ATOM 779 N THR A 51 23.852 -7.242 -0.509 1.00 0.00 N ATOM 780 CA THR A 51 24.801 -7.788 -1.466 1.00 0.00 C ATOM 781 C THR A 51 25.755 -6.670 -1.885 1.00 0.00 C ATOM 782 O THR A 51 26.962 -6.965 -2.020 1.00 0.00 O ATOM 783 CB THR A 51 24.033 -8.357 -2.671 1.00 0.00 C ATOM 784 OG1 THR A 51 23.059 -9.284 -2.234 1.00 0.00 O ATOM 785 CG2 THR A 51 24.968 -9.057 -3.663 1.00 0.00 C ATOM 786 OXT THR A 51 25.259 -5.535 -2.061 1.00 0.00 O ATOM 0 H THR A 51 23.610 -6.270 -0.701 1.00 0.00 H new ATOM 0 HA THR A 51 25.382 -8.599 -1.026 1.00 0.00 H new ATOM 0 HB THR A 51 23.557 -7.516 -3.175 1.00 0.00 H new ATOM 0 HG1 THR A 51 22.575 -9.639 -3.008 1.00 0.00 H new ATOM 0 HG21 THR A 51 24.387 -9.445 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 51 25.705 -8.344 -4.033 1.00 0.00 H new ATOM 0 HG23 THR A 51 25.478 -9.880 -3.163 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 6.931 4.700 -0.418 1.00 0.00 ZN HETATM 796 ZN ZN A 53 15.053 -2.676 -8.721 1.00 0.00 ZN