USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 1.13 (180deg=1.08) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 45 GLN : amide:sc= -3.05! C(o=-3!,f=-4.2!) USER MOD Single : A 48 ASN : amide:sc= -0.241 K(o=-0.24,f=-2.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.141 K(o=0.14,f=-9.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -15.7! C(o=-16!,f=-18!) USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= -4.64! (180deg=-5.03!) USER MOD Single : A 63 SER OG : rot 169:sc= -1.65 USER MOD Single : A 75 SER OG : rot -113:sc= 1.22 USER MOD Single : A 92 SER OG : rot -4:sc= 0.0781! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.726 3.624 -9.946 1.00 0.00 N ATOM 2 CA ALA A 1 -3.845 4.823 -10.021 1.00 0.00 C ATOM 3 C ALA A 1 -4.639 6.102 -9.780 1.00 0.00 C ATOM 4 O ALA A 1 -4.443 6.786 -8.774 1.00 0.00 O ATOM 5 CB ALA A 1 -3.145 4.888 -11.371 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.161 2.767 -10.114 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.162 3.572 -9.003 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.471 3.695 -10.669 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.092 4.734 -9.238 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.506 5.770 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.537 3.994 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.890 4.947 -12.165 1.00 0.00 H new ATOM 13 N VAL A 2 -5.533 6.420 -10.710 1.00 0.00 N ATOM 14 CA VAL A 2 -6.354 7.617 -10.598 1.00 0.00 C ATOM 15 C VAL A 2 -7.237 7.565 -9.359 1.00 0.00 C ATOM 16 O VAL A 2 -7.440 6.504 -8.769 1.00 0.00 O ATOM 17 CB VAL A 2 -7.247 7.818 -11.838 1.00 0.00 C ATOM 18 CG1 VAL A 2 -6.429 8.339 -13.010 1.00 0.00 C ATOM 19 CG2 VAL A 2 -7.961 6.524 -12.202 1.00 0.00 C ATOM 0 H VAL A 2 -5.706 5.865 -11.548 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.665 8.458 -10.520 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.005 8.564 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.078 8.474 -13.875 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -5.977 9.294 -12.742 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -5.645 7.622 -13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.586 6.688 -13.080 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.224 5.751 -12.420 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -8.585 6.205 -11.367 1.00 0.00 H new ATOM 29 N LEU A 3 -7.742 8.724 -8.964 1.00 0.00 N ATOM 30 CA LEU A 3 -8.577 8.846 -7.802 1.00 0.00 C ATOM 31 C LEU A 3 -9.977 8.312 -8.033 1.00 0.00 C ATOM 32 O LEU A 3 -10.401 8.083 -9.166 1.00 0.00 O ATOM 33 CB LEU A 3 -8.672 10.320 -7.389 1.00 0.00 C ATOM 34 CG LEU A 3 -7.800 10.731 -6.209 1.00 0.00 C ATOM 35 CD1 LEU A 3 -7.357 9.499 -5.461 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.601 11.543 -6.676 1.00 0.00 C ATOM 0 H LEU A 3 -7.577 9.605 -9.451 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.117 8.250 -7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.405 10.937 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.711 10.544 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.383 11.364 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -6.733 9.791 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.232 8.960 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.786 8.854 -6.128 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.994 11.824 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.002 10.945 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.947 12.442 -7.185 1.00 0.00 H new ATOM 48 N ASP A 4 -10.692 8.146 -6.929 1.00 0.00 N ATOM 49 CA ASP A 4 -12.051 7.677 -6.963 1.00 0.00 C ATOM 50 C ASP A 4 -12.948 8.839 -7.350 1.00 0.00 C ATOM 51 O ASP A 4 -13.329 8.986 -8.511 1.00 0.00 O ATOM 52 CB ASP A 4 -12.464 7.079 -5.617 1.00 0.00 C ATOM 53 CG ASP A 4 -13.840 6.444 -5.661 1.00 0.00 C ATOM 54 OD1 ASP A 4 -14.656 6.853 -6.513 1.00 0.00 O ATOM 55 OD2 ASP A 4 -14.100 5.535 -4.845 1.00 0.00 O ATOM 0 H ASP A 4 -10.338 8.335 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.147 6.880 -7.701 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.731 6.330 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.452 7.860 -4.857 1.00 0.00 H new ATOM 60 N LEU A 5 -13.230 9.694 -6.380 1.00 0.00 N ATOM 61 CA LEU A 5 -14.022 10.885 -6.626 1.00 0.00 C ATOM 62 C LEU A 5 -13.112 11.991 -7.153 1.00 0.00 C ATOM 63 O LEU A 5 -12.102 11.715 -7.802 1.00 0.00 O ATOM 64 CB LEU A 5 -14.831 11.337 -5.375 1.00 0.00 C ATOM 65 CG LEU A 5 -14.100 12.095 -4.235 1.00 0.00 C ATOM 66 CD1 LEU A 5 -12.597 11.953 -4.290 1.00 0.00 C ATOM 67 CD2 LEU A 5 -14.535 13.554 -4.173 1.00 0.00 C ATOM 0 H LEU A 5 -12.921 9.584 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.772 10.651 -7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.645 11.973 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.285 10.447 -4.939 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.404 11.617 -3.304 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.149 12.507 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.328 10.900 -4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.228 12.350 -5.236 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.005 14.058 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.303 14.043 -5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.608 13.606 -3.991 1.00 0.00 H new ATOM 79 N ASP A 6 -13.468 13.230 -6.880 1.00 0.00 N ATOM 80 CA ASP A 6 -12.685 14.359 -7.324 1.00 0.00 C ATOM 81 C ASP A 6 -11.512 14.643 -6.394 1.00 0.00 C ATOM 82 O ASP A 6 -10.373 14.791 -6.840 1.00 0.00 O ATOM 83 CB ASP A 6 -13.570 15.602 -7.447 1.00 0.00 C ATOM 84 CG ASP A 6 -13.664 16.102 -8.875 1.00 0.00 C ATOM 85 OD1 ASP A 6 -14.320 15.426 -9.696 1.00 0.00 O ATOM 86 OD2 ASP A 6 -13.083 17.166 -9.172 1.00 0.00 O ATOM 0 H ASP A 6 -14.302 13.479 -6.348 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.276 14.106 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -14.570 15.372 -7.079 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.171 16.394 -6.813 1.00 0.00 H new ATOM 91 N VAL A 7 -11.803 14.760 -5.108 1.00 0.00 N ATOM 92 CA VAL A 7 -10.778 15.059 -4.117 1.00 0.00 C ATOM 93 C VAL A 7 -10.610 13.979 -3.036 1.00 0.00 C ATOM 94 O VAL A 7 -11.167 14.109 -1.946 1.00 0.00 O ATOM 95 CB VAL A 7 -11.054 16.415 -3.441 1.00 0.00 C ATOM 96 CG1 VAL A 7 -11.072 17.518 -4.481 1.00 0.00 C ATOM 97 CG2 VAL A 7 -12.372 16.392 -2.683 1.00 0.00 C ATOM 0 H VAL A 7 -12.742 14.652 -4.724 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.843 15.092 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 7 -10.255 16.607 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -11.268 18.474 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.106 17.559 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -11.855 17.316 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -12.540 17.363 -2.216 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -13.186 16.176 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.336 15.621 -1.914 1.00 0.00 H new ATOM 107 N ARG A 8 -9.834 12.931 -3.303 1.00 0.00 N ATOM 108 CA ARG A 8 -9.632 11.899 -2.321 1.00 0.00 C ATOM 109 C ARG A 8 -8.570 12.256 -1.295 1.00 0.00 C ATOM 110 O ARG A 8 -7.708 13.102 -1.534 1.00 0.00 O ATOM 111 CB ARG A 8 -9.275 10.617 -3.009 1.00 0.00 C ATOM 112 CG ARG A 8 -10.503 9.879 -3.404 1.00 0.00 C ATOM 113 CD ARG A 8 -10.226 8.413 -3.642 1.00 0.00 C ATOM 114 NE ARG A 8 -10.890 7.548 -2.668 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.192 7.588 -2.373 1.00 0.00 C ATOM 116 NH1 ARG A 8 -12.996 8.492 -2.921 1.00 0.00 N ATOM 117 NH2 ARG A 8 -12.696 6.715 -1.515 1.00 0.00 N ATOM 0 H ARG A 8 -9.344 12.785 -4.186 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.568 11.786 -1.773 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.670 10.827 -3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.669 9.999 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.257 9.984 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.918 10.322 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.556 8.143 -4.645 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.151 8.239 -3.602 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.316 6.863 -2.177 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.622 9.174 -3.581 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.987 8.505 -2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.091 6.017 -1.083 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.690 6.741 -1.286 1.00 0.00 H new ATOM 131 N THR A 9 -8.637 11.583 -0.153 1.00 0.00 N ATOM 132 CA THR A 9 -7.700 11.792 0.918 1.00 0.00 C ATOM 133 C THR A 9 -7.707 10.605 1.880 1.00 0.00 C ATOM 134 O THR A 9 -8.087 10.735 3.045 1.00 0.00 O ATOM 135 CB THR A 9 -8.029 13.078 1.654 1.00 0.00 C ATOM 136 OG1 THR A 9 -9.038 13.808 0.978 1.00 0.00 O ATOM 137 CG2 THR A 9 -6.835 13.991 1.824 1.00 0.00 C ATOM 0 H THR A 9 -9.347 10.879 0.046 1.00 0.00 H new ATOM 0 HA THR A 9 -6.700 11.878 0.494 1.00 0.00 H new ATOM 0 HB THR A 9 -8.370 12.763 2.640 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.233 14.631 1.473 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.139 14.892 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.061 13.476 2.393 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.444 14.264 0.844 1.00 0.00 H new ATOM 145 N CYS A 10 -7.282 9.442 1.387 1.00 0.00 N ATOM 146 CA CYS A 10 -7.242 8.236 2.209 1.00 0.00 C ATOM 147 C CYS A 10 -6.379 8.460 3.447 1.00 0.00 C ATOM 148 O CYS A 10 -6.021 9.594 3.762 1.00 0.00 O ATOM 149 CB CYS A 10 -6.708 7.051 1.401 1.00 0.00 C ATOM 150 SG CYS A 10 -7.578 5.481 1.720 1.00 0.00 S ATOM 0 H CYS A 10 -6.962 9.311 0.427 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.259 8.008 2.529 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.782 7.286 0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.649 6.920 1.625 1.00 0.00 H new ATOM 155 N LEU A 11 -6.055 7.383 4.153 1.00 0.00 N ATOM 156 CA LEU A 11 -5.245 7.491 5.360 1.00 0.00 C ATOM 157 C LEU A 11 -3.847 6.893 5.167 1.00 0.00 C ATOM 158 O LEU A 11 -3.690 5.807 4.595 1.00 0.00 O ATOM 159 CB LEU A 11 -5.954 6.815 6.535 1.00 0.00 C ATOM 160 CG LEU A 11 -6.390 7.770 7.650 1.00 0.00 C ATOM 161 CD1 LEU A 11 -7.249 8.896 7.089 1.00 0.00 C ATOM 162 CD2 LEU A 11 -7.139 7.016 8.736 1.00 0.00 C ATOM 0 H LEU A 11 -6.338 6.433 3.913 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.120 8.552 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.833 6.290 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.290 6.062 6.959 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.496 8.211 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.548 9.563 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.677 9.456 6.349 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.138 8.476 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.441 7.711 9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.024 6.545 8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.490 6.250 9.161 1.00 0.00 H new ATOM 174 N PRO A 12 -2.805 7.599 5.650 1.00 0.00 N ATOM 175 CA PRO A 12 -1.425 7.134 5.540 1.00 0.00 C ATOM 176 C PRO A 12 -1.175 5.874 6.356 1.00 0.00 C ATOM 177 O PRO A 12 -2.108 5.229 6.838 1.00 0.00 O ATOM 178 CB PRO A 12 -0.581 8.278 6.114 1.00 0.00 C ATOM 179 CG PRO A 12 -1.495 9.441 6.276 1.00 0.00 C ATOM 180 CD PRO A 12 -2.897 8.897 6.340 1.00 0.00 C ATOM 0 HA PRO A 12 -1.184 6.886 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.142 7.994 7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.244 8.524 5.446 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.255 9.996 7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.388 10.134 5.441 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.233 8.779 7.370 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.606 9.562 5.847 1.00 0.00 H new ATOM 188 N CYS A 13 0.100 5.553 6.526 1.00 0.00 N ATOM 189 CA CYS A 13 0.503 4.396 7.280 1.00 0.00 C ATOM 190 C CYS A 13 1.931 4.543 7.776 1.00 0.00 C ATOM 191 O CYS A 13 2.573 5.571 7.558 1.00 0.00 O ATOM 192 CB CYS A 13 0.379 3.144 6.426 1.00 0.00 C ATOM 193 SG CYS A 13 0.062 1.632 7.376 1.00 0.00 S ATOM 0 H CYS A 13 0.876 6.093 6.142 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.155 4.308 8.144 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.428 3.285 5.707 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.297 3.015 5.853 1.00 0.00 H new ATOM 198 N GLY A 14 2.434 3.502 8.421 1.00 0.00 N ATOM 199 CA GLY A 14 3.788 3.528 8.906 1.00 0.00 C ATOM 200 C GLY A 14 4.050 4.616 9.920 1.00 0.00 C ATOM 201 O GLY A 14 3.253 4.850 10.826 1.00 0.00 O ATOM 0 H GLY A 14 1.924 2.640 8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.022 2.562 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.464 3.660 8.062 1.00 0.00 H new ATOM 205 N PRO A 15 5.201 5.269 9.786 1.00 0.00 N ATOM 206 CA PRO A 15 5.656 6.327 10.676 1.00 0.00 C ATOM 207 C PRO A 15 5.192 7.711 10.226 1.00 0.00 C ATOM 208 O PRO A 15 5.800 8.324 9.349 1.00 0.00 O ATOM 209 CB PRO A 15 7.165 6.172 10.533 1.00 0.00 C ATOM 210 CG PRO A 15 7.340 5.885 9.090 1.00 0.00 C ATOM 211 CD PRO A 15 6.191 4.986 8.740 1.00 0.00 C ATOM 0 HA PRO A 15 5.275 6.248 11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.693 7.078 10.830 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.547 5.362 11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.321 6.801 8.499 1.00 0.00 H new ATOM 0 HG3 PRO A 15 8.296 5.400 8.896 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.799 5.205 7.747 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.488 3.937 8.742 1.00 0.00 H new ATOM 219 N GLY A 16 4.107 8.194 10.832 1.00 0.00 N ATOM 220 CA GLY A 16 3.572 9.501 10.480 1.00 0.00 C ATOM 221 C GLY A 16 2.581 9.423 9.336 1.00 0.00 C ATOM 222 O GLY A 16 1.380 9.612 9.526 1.00 0.00 O ATOM 0 H GLY A 16 3.589 7.703 11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.085 9.939 11.351 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.391 10.165 10.205 1.00 0.00 H new ATOM 226 N GLY A 17 3.089 9.114 8.150 1.00 0.00 N ATOM 227 CA GLY A 17 2.250 8.979 6.983 1.00 0.00 C ATOM 228 C GLY A 17 3.038 8.656 5.742 1.00 0.00 C ATOM 229 O GLY A 17 2.685 9.056 4.633 1.00 0.00 O ATOM 0 H GLY A 17 4.081 8.953 7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.514 8.194 7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.697 9.905 6.828 1.00 0.00 H new ATOM 233 N LYS A 18 4.105 7.918 5.950 1.00 0.00 N ATOM 234 CA LYS A 18 4.982 7.493 4.891 1.00 0.00 C ATOM 235 C LYS A 18 4.292 6.453 4.031 1.00 0.00 C ATOM 236 O LYS A 18 4.462 6.406 2.813 1.00 0.00 O ATOM 237 CB LYS A 18 6.241 6.911 5.516 1.00 0.00 C ATOM 238 CG LYS A 18 7.417 7.853 5.557 1.00 0.00 C ATOM 239 CD LYS A 18 6.957 9.277 5.739 1.00 0.00 C ATOM 240 CE LYS A 18 8.126 10.246 5.816 1.00 0.00 C ATOM 241 NZ LYS A 18 8.442 10.841 4.486 1.00 0.00 N ATOM 0 H LYS A 18 4.389 7.593 6.874 1.00 0.00 H new ATOM 0 HA LYS A 18 5.242 8.340 4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.012 6.593 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.527 6.018 4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.083 7.574 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.990 7.767 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.307 9.557 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.362 9.353 6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.892 11.042 6.524 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.004 9.726 6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.315 11.402 4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.573 10.081 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.658 11.455 4.185 1.00 0.00 H new ATOM 255 N GLY A 19 3.500 5.639 4.694 1.00 0.00 N ATOM 256 CA GLY A 19 2.753 4.606 4.034 1.00 0.00 C ATOM 257 C GLY A 19 1.274 4.936 3.956 1.00 0.00 C ATOM 258 O GLY A 19 0.860 6.046 4.284 1.00 0.00 O ATOM 0 H GLY A 19 3.360 5.679 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.146 4.461 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.887 3.665 4.567 1.00 0.00 H new ATOM 262 N ARG A 20 0.481 3.972 3.515 1.00 0.00 N ATOM 263 CA ARG A 20 -0.949 4.154 3.383 1.00 0.00 C ATOM 264 C ARG A 20 -1.644 2.802 3.301 1.00 0.00 C ATOM 265 O ARG A 20 -0.992 1.756 3.304 1.00 0.00 O ATOM 266 CB ARG A 20 -1.243 4.974 2.133 1.00 0.00 C ATOM 267 CG ARG A 20 -0.914 4.236 0.853 1.00 0.00 C ATOM 268 CD ARG A 20 -1.973 4.460 -0.211 1.00 0.00 C ATOM 269 NE ARG A 20 -1.536 5.416 -1.227 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.464 5.246 -2.001 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.279 4.151 -1.894 1.00 0.00 N ATOM 272 NH2 ARG A 20 -0.136 6.174 -2.891 1.00 0.00 N ATOM 0 H ARG A 20 0.812 3.047 3.241 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.327 4.685 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.297 5.251 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.670 5.901 2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.054 4.569 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.826 3.169 1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.215 3.510 -0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.887 4.823 0.258 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.086 6.266 -1.351 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.031 3.431 -1.215 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.097 4.030 -2.491 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.704 7.016 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.684 6.045 -3.484 1.00 0.00 H new ATOM 286 N CYS A 21 -2.961 2.824 3.178 1.00 0.00 N ATOM 287 CA CYS A 21 -3.723 1.599 3.042 1.00 0.00 C ATOM 288 C CYS A 21 -3.646 1.131 1.598 1.00 0.00 C ATOM 289 O CYS A 21 -3.574 1.952 0.683 1.00 0.00 O ATOM 290 CB CYS A 21 -5.165 1.850 3.437 1.00 0.00 C ATOM 291 SG CYS A 21 -5.529 1.522 5.191 1.00 0.00 S ATOM 0 H CYS A 21 -3.521 3.676 3.170 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.312 0.829 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.415 2.887 3.214 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.812 1.226 2.821 1.00 0.00 H new ATOM 296 N PHE A 22 -3.618 -0.176 1.387 1.00 0.00 N ATOM 297 CA PHE A 22 -3.491 -0.705 0.030 1.00 0.00 C ATOM 298 C PHE A 22 -4.683 -1.558 -0.406 1.00 0.00 C ATOM 299 O PHE A 22 -5.341 -1.244 -1.399 1.00 0.00 O ATOM 300 CB PHE A 22 -2.193 -1.505 -0.070 1.00 0.00 C ATOM 301 CG PHE A 22 -1.022 -0.627 -0.376 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.716 0.449 0.441 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.241 -0.862 -1.488 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.352 1.271 0.146 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.829 -0.046 -1.786 1.00 0.00 C ATOM 306 CZ PHE A 22 1.125 1.023 -0.969 1.00 0.00 C ATOM 0 H PHE A 22 -3.680 -0.882 2.121 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.471 0.145 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.017 -2.031 0.868 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.292 -2.263 -0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.318 0.646 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.471 -1.696 -2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.583 2.108 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.434 -0.244 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.961 1.666 -1.201 1.00 0.00 H new ATOM 316 N GLY A 23 -4.946 -2.644 0.310 1.00 0.00 N ATOM 317 CA GLY A 23 -6.042 -3.518 -0.063 1.00 0.00 C ATOM 318 C GLY A 23 -6.806 -4.091 1.119 1.00 0.00 C ATOM 319 O GLY A 23 -7.674 -3.421 1.675 1.00 0.00 O ATOM 0 H GLY A 23 -4.424 -2.934 1.137 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.735 -2.964 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.650 -4.340 -0.662 1.00 0.00 H new ATOM 323 N PRO A 24 -6.530 -5.353 1.508 1.00 0.00 N ATOM 324 CA PRO A 24 -7.223 -6.024 2.599 1.00 0.00 C ATOM 325 C PRO A 24 -6.429 -6.040 3.902 1.00 0.00 C ATOM 326 O PRO A 24 -5.465 -6.795 4.034 1.00 0.00 O ATOM 327 CB PRO A 24 -7.331 -7.434 2.033 1.00 0.00 C ATOM 328 CG PRO A 24 -6.040 -7.637 1.299 1.00 0.00 C ATOM 329 CD PRO A 24 -5.543 -6.262 0.895 1.00 0.00 C ATOM 0 HA PRO A 24 -8.162 -5.541 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.459 -8.172 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.188 -7.531 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.310 -8.141 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.189 -8.267 0.422 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.536 -6.073 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.509 -6.148 -0.189 1.00 0.00 H new ATOM 337 N SER A 25 -6.834 -5.213 4.867 1.00 0.00 N ATOM 338 CA SER A 25 -6.142 -5.159 6.156 1.00 0.00 C ATOM 339 C SER A 25 -4.644 -5.019 5.949 1.00 0.00 C ATOM 340 O SER A 25 -3.847 -5.443 6.789 1.00 0.00 O ATOM 341 CB SER A 25 -6.408 -6.435 6.954 1.00 0.00 C ATOM 342 OG SER A 25 -6.597 -6.149 8.328 1.00 0.00 O ATOM 0 H SER A 25 -7.628 -4.578 4.783 1.00 0.00 H new ATOM 0 HA SER A 25 -6.518 -4.295 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.292 -6.937 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.571 -7.123 6.835 1.00 0.00 H new ATOM 0 HG SER A 25 -6.767 -6.982 8.815 1.00 0.00 H new ATOM 348 N ILE A 26 -4.264 -4.464 4.813 1.00 0.00 N ATOM 349 CA ILE A 26 -2.865 -4.324 4.486 1.00 0.00 C ATOM 350 C ILE A 26 -2.406 -2.870 4.450 1.00 0.00 C ATOM 351 O ILE A 26 -3.207 -1.934 4.388 1.00 0.00 O ATOM 352 CB ILE A 26 -2.572 -4.982 3.129 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.156 -5.507 3.071 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.771 -3.987 2.020 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.015 -6.696 2.147 1.00 0.00 C ATOM 0 H ILE A 26 -4.905 -4.105 4.106 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.308 -4.823 5.279 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.262 -5.817 3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.490 -4.711 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.836 -5.791 4.074 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.561 -4.463 1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.801 -3.632 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.095 -3.144 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.022 -7.033 2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.658 -7.505 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.307 -6.409 1.137 1.00 0.00 H new ATOM 367 N CYS A 27 -1.094 -2.719 4.471 1.00 0.00 N ATOM 368 CA CYS A 27 -0.437 -1.436 4.434 1.00 0.00 C ATOM 369 C CYS A 27 0.911 -1.617 3.755 1.00 0.00 C ATOM 370 O CYS A 27 1.565 -2.642 3.943 1.00 0.00 O ATOM 371 CB CYS A 27 -0.271 -0.921 5.844 1.00 0.00 C ATOM 372 SG CYS A 27 -1.200 0.598 6.186 1.00 0.00 S ATOM 0 H CYS A 27 -0.446 -3.506 4.515 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.026 -0.709 3.876 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.589 -1.695 6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.787 -0.738 6.031 1.00 0.00 H new ATOM 377 N CYS A 28 1.316 -0.660 2.942 1.00 0.00 N ATOM 378 CA CYS A 28 2.554 -0.795 2.215 1.00 0.00 C ATOM 379 C CYS A 28 3.259 0.543 2.051 1.00 0.00 C ATOM 380 O CYS A 28 2.800 1.382 1.274 1.00 0.00 O ATOM 381 CB CYS A 28 2.224 -1.367 0.832 1.00 0.00 C ATOM 382 SG CYS A 28 3.057 -2.921 0.365 1.00 0.00 S ATOM 0 H CYS A 28 0.809 0.209 2.772 1.00 0.00 H new ATOM 0 HA CYS A 28 3.223 -1.453 2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.147 -1.530 0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.469 -0.612 0.085 1.00 0.00 H new ATOM 387 N GLY A 29 4.371 0.765 2.745 1.00 0.00 N ATOM 388 CA GLY A 29 5.057 1.977 2.572 1.00 0.00 C ATOM 389 C GLY A 29 6.192 1.768 1.598 1.00 0.00 C ATOM 390 O GLY A 29 7.072 0.955 1.866 1.00 0.00 O ATOM 0 H GLY A 29 4.786 0.116 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.378 2.744 2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.442 2.331 3.528 1.00 0.00 H new ATOM 394 N ASP A 30 6.175 2.438 0.448 1.00 0.00 N ATOM 395 CA ASP A 30 7.229 2.239 -0.542 1.00 0.00 C ATOM 396 C ASP A 30 8.559 2.561 0.107 1.00 0.00 C ATOM 397 O ASP A 30 9.437 1.706 0.213 1.00 0.00 O ATOM 398 CB ASP A 30 7.000 3.139 -1.756 1.00 0.00 C ATOM 399 CG ASP A 30 7.798 2.690 -2.964 1.00 0.00 C ATOM 400 OD1 ASP A 30 8.242 1.522 -2.981 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.978 3.504 -3.893 1.00 0.00 O ATOM 0 H ASP A 30 5.457 3.112 0.182 1.00 0.00 H new ATOM 0 HA ASP A 30 7.222 1.205 -0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.939 3.145 -2.006 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.274 4.163 -1.503 1.00 0.00 H new ATOM 406 N GLU A 31 8.663 3.763 0.625 1.00 0.00 N ATOM 407 CA GLU A 31 9.829 4.170 1.364 1.00 0.00 C ATOM 408 C GLU A 31 9.680 3.695 2.811 1.00 0.00 C ATOM 409 O GLU A 31 10.332 4.216 3.716 1.00 0.00 O ATOM 410 CB GLU A 31 9.941 5.690 1.353 1.00 0.00 C ATOM 411 CG GLU A 31 8.766 6.376 2.035 1.00 0.00 C ATOM 412 CD GLU A 31 9.208 7.535 2.901 1.00 0.00 C ATOM 413 OE1 GLU A 31 10.030 7.313 3.815 1.00 0.00 O ATOM 414 OE2 GLU A 31 8.729 8.666 2.671 1.00 0.00 O ATOM 0 H GLU A 31 7.943 4.481 0.545 1.00 0.00 H new ATOM 0 HA GLU A 31 10.721 3.738 0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.865 5.985 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.009 6.037 0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.068 6.735 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.229 5.651 2.647 1.00 0.00 H new ATOM 421 N LEU A 32 8.736 2.774 3.027 1.00 0.00 N ATOM 422 CA LEU A 32 8.407 2.316 4.365 1.00 0.00 C ATOM 423 C LEU A 32 8.019 0.839 4.432 1.00 0.00 C ATOM 424 O LEU A 32 7.207 0.449 5.264 1.00 0.00 O ATOM 425 CB LEU A 32 7.267 3.208 4.830 1.00 0.00 C ATOM 426 CG LEU A 32 6.688 2.992 6.222 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.318 2.379 6.079 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.582 2.149 7.132 1.00 0.00 C ATOM 0 H LEU A 32 8.190 2.335 2.286 1.00 0.00 H new ATOM 0 HA LEU A 32 9.283 2.388 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.611 4.241 4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.452 3.103 4.114 1.00 0.00 H new ATOM 0 HG LEU A 32 6.621 3.962 6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.887 2.217 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.676 3.051 5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.399 1.425 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.106 2.037 8.106 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.732 1.166 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.546 2.643 7.254 1.00 0.00 H new ATOM 440 N GLY A 33 8.617 0.019 3.575 1.00 0.00 N ATOM 441 CA GLY A 33 8.333 -1.416 3.581 1.00 0.00 C ATOM 442 C GLY A 33 6.855 -1.757 3.732 1.00 0.00 C ATOM 443 O GLY A 33 6.014 -0.875 3.929 1.00 0.00 O ATOM 0 H GLY A 33 9.295 0.316 2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.703 -1.853 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.887 -1.882 4.396 1.00 0.00 H new ATOM 447 N CYS A 34 6.526 -3.043 3.600 1.00 0.00 N ATOM 448 CA CYS A 34 5.135 -3.472 3.678 1.00 0.00 C ATOM 449 C CYS A 34 4.811 -4.326 4.887 1.00 0.00 C ATOM 450 O CYS A 34 5.539 -5.256 5.233 1.00 0.00 O ATOM 451 CB CYS A 34 4.751 -4.254 2.436 1.00 0.00 C ATOM 452 SG CYS A 34 2.997 -4.085 2.014 1.00 0.00 S ATOM 0 H CYS A 34 7.197 -3.795 3.441 1.00 0.00 H new ATOM 0 HA CYS A 34 4.562 -2.549 3.765 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.356 -3.913 1.596 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.983 -5.308 2.590 1.00 0.00 H new ATOM 457 N PHE A 35 3.671 -4.017 5.491 1.00 0.00 N ATOM 458 CA PHE A 35 3.168 -4.767 6.634 1.00 0.00 C ATOM 459 C PHE A 35 1.685 -5.096 6.428 1.00 0.00 C ATOM 460 O PHE A 35 0.878 -4.194 6.211 1.00 0.00 O ATOM 461 CB PHE A 35 3.358 -3.974 7.929 1.00 0.00 C ATOM 462 CG PHE A 35 4.533 -3.051 7.921 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.572 -1.986 7.045 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.601 -3.256 8.779 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.647 -1.134 7.018 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.690 -2.401 8.756 1.00 0.00 C ATOM 467 CZ PHE A 35 6.709 -1.336 7.870 1.00 0.00 C ATOM 0 H PHE A 35 3.072 -3.243 5.204 1.00 0.00 H new ATOM 0 HA PHE A 35 3.733 -5.696 6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.456 -3.393 8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.467 -4.674 8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.745 -1.821 6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.584 -4.087 9.469 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.660 -0.304 6.327 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.521 -2.564 9.426 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.555 -0.666 7.848 1.00 0.00 H new ATOM 477 N VAL A 36 1.312 -6.371 6.511 1.00 0.00 N ATOM 478 CA VAL A 36 -0.091 -6.744 6.343 1.00 0.00 C ATOM 479 C VAL A 36 -0.774 -6.851 7.691 1.00 0.00 C ATOM 480 O VAL A 36 -0.671 -7.867 8.379 1.00 0.00 O ATOM 481 CB VAL A 36 -0.266 -8.076 5.591 1.00 0.00 C ATOM 482 CG1 VAL A 36 -1.710 -8.238 5.119 1.00 0.00 C ATOM 483 CG2 VAL A 36 0.707 -8.161 4.423 1.00 0.00 C ATOM 0 H VAL A 36 1.946 -7.149 6.690 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.549 -5.956 5.745 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.042 -8.895 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.816 -9.185 4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.378 -8.228 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.968 -7.417 4.450 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.569 -9.109 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.520 -7.338 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.729 -8.097 4.796 1.00 0.00 H new ATOM 493 N GLY A 37 -1.465 -5.787 8.066 1.00 0.00 N ATOM 494 CA GLY A 37 -2.149 -5.767 9.347 1.00 0.00 C ATOM 495 C GLY A 37 -1.173 -5.837 10.511 1.00 0.00 C ATOM 496 O GLY A 37 -1.564 -6.099 11.650 1.00 0.00 O ATOM 0 H GLY A 37 -1.566 -4.938 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.745 -4.858 9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.841 -6.607 9.402 1.00 0.00 H new ATOM 500 N THR A 38 0.102 -5.609 10.210 1.00 0.00 N ATOM 501 CA THR A 38 1.163 -5.634 11.205 1.00 0.00 C ATOM 502 C THR A 38 1.147 -4.323 11.991 1.00 0.00 C ATOM 503 O THR A 38 0.296 -3.466 11.751 1.00 0.00 O ATOM 504 CB THR A 38 2.505 -5.815 10.484 1.00 0.00 C ATOM 505 OG1 THR A 38 2.401 -6.789 9.459 1.00 0.00 O ATOM 506 CG2 THR A 38 3.669 -6.226 11.360 1.00 0.00 C ATOM 0 H THR A 38 0.427 -5.401 9.266 1.00 0.00 H new ATOM 0 HA THR A 38 1.016 -6.459 11.902 1.00 0.00 H new ATOM 0 HB THR A 38 2.717 -4.818 10.098 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.267 -6.887 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.567 -6.325 10.749 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.833 -5.468 12.126 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.447 -7.181 11.836 1.00 0.00 H new ATOM 514 N ALA A 39 2.089 -4.153 12.911 1.00 0.00 N ATOM 515 CA ALA A 39 2.160 -2.931 13.702 1.00 0.00 C ATOM 516 C ALA A 39 2.196 -1.694 12.808 1.00 0.00 C ATOM 517 O ALA A 39 1.369 -0.800 12.941 1.00 0.00 O ATOM 518 CB ALA A 39 3.377 -2.963 14.613 1.00 0.00 C ATOM 0 H ALA A 39 2.810 -4.841 13.127 1.00 0.00 H new ATOM 0 HA ALA A 39 1.261 -2.874 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.418 -2.044 15.198 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.306 -3.818 15.285 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.281 -3.049 14.010 1.00 0.00 H new ATOM 524 N GLU A 40 3.156 -1.646 11.896 1.00 0.00 N ATOM 525 CA GLU A 40 3.291 -0.519 10.985 1.00 0.00 C ATOM 526 C GLU A 40 2.191 -0.511 9.912 1.00 0.00 C ATOM 527 O GLU A 40 2.213 0.317 8.999 1.00 0.00 O ATOM 528 CB GLU A 40 4.671 -0.558 10.338 1.00 0.00 C ATOM 529 CG GLU A 40 5.675 0.386 10.980 1.00 0.00 C ATOM 530 CD GLU A 40 6.248 -0.165 12.273 1.00 0.00 C ATOM 531 OE1 GLU A 40 5.461 -0.430 13.207 1.00 0.00 O ATOM 532 OE2 GLU A 40 7.483 -0.328 12.352 1.00 0.00 O ATOM 0 H GLU A 40 3.855 -2.377 11.767 1.00 0.00 H new ATOM 0 HA GLU A 40 3.179 0.400 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.058 -1.576 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.574 -0.307 9.282 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.488 0.578 10.279 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.193 1.343 11.179 1.00 0.00 H new ATOM 539 N ALA A 41 1.245 -1.450 10.010 1.00 0.00 N ATOM 540 CA ALA A 41 0.155 -1.555 9.039 1.00 0.00 C ATOM 541 C ALA A 41 -1.207 -1.256 9.659 1.00 0.00 C ATOM 542 O ALA A 41 -2.167 -0.955 8.951 1.00 0.00 O ATOM 543 CB ALA A 41 0.118 -2.953 8.467 1.00 0.00 C ATOM 0 H ALA A 41 1.213 -2.148 10.753 1.00 0.00 H new ATOM 0 HA ALA A 41 0.349 -0.816 8.262 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.694 -3.029 7.744 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.065 -3.169 7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.043 -3.671 9.271 1.00 0.00 H new ATOM 549 N LEU A 42 -1.294 -1.386 10.976 1.00 0.00 N ATOM 550 CA LEU A 42 -2.550 -1.175 11.695 1.00 0.00 C ATOM 551 C LEU A 42 -3.315 0.070 11.254 1.00 0.00 C ATOM 552 O LEU A 42 -4.514 0.166 11.502 1.00 0.00 O ATOM 553 CB LEU A 42 -2.323 -1.145 13.213 1.00 0.00 C ATOM 554 CG LEU A 42 -1.204 -0.225 13.736 1.00 0.00 C ATOM 555 CD1 LEU A 42 -0.687 0.721 12.661 1.00 0.00 C ATOM 556 CD2 LEU A 42 -1.693 0.565 14.940 1.00 0.00 C ATOM 0 H LEU A 42 -0.507 -1.638 11.574 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.175 -2.030 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.257 -0.846 13.689 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.108 -2.161 13.543 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.372 -0.863 14.034 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.100 1.349 13.077 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.287 0.142 11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.504 1.350 12.306 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.893 1.212 15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.550 1.174 14.652 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.987 -0.124 15.732 1.00 0.00 H new ATOM 568 N ARG A 43 -2.654 1.015 10.597 1.00 0.00 N ATOM 569 CA ARG A 43 -3.339 2.218 10.139 1.00 0.00 C ATOM 570 C ARG A 43 -4.612 1.861 9.372 1.00 0.00 C ATOM 571 O ARG A 43 -5.563 2.645 9.318 1.00 0.00 O ATOM 572 CB ARG A 43 -2.417 3.058 9.263 1.00 0.00 C ATOM 573 CG ARG A 43 -2.018 4.376 9.906 1.00 0.00 C ATOM 574 CD ARG A 43 -1.313 4.149 11.234 1.00 0.00 C ATOM 575 NE ARG A 43 -0.054 4.883 11.323 1.00 0.00 N ATOM 576 CZ ARG A 43 0.515 5.242 12.472 1.00 0.00 C ATOM 577 NH1 ARG A 43 -0.054 4.927 13.629 1.00 0.00 N ATOM 578 NH2 ARG A 43 1.658 5.912 12.466 1.00 0.00 N ATOM 0 H ARG A 43 -1.660 0.974 10.372 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.617 2.802 11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.518 2.484 9.038 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.913 3.260 8.313 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.362 4.928 9.233 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.905 4.990 10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.969 4.456 12.049 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.121 3.084 11.364 1.00 0.00 H new ATOM 0 HE ARG A 43 0.417 5.135 10.454 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.932 4.407 13.641 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.386 5.205 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.103 6.153 11.581 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.093 6.186 13.347 1.00 0.00 H new ATOM 592 N CYS A 44 -4.629 0.667 8.791 1.00 0.00 N ATOM 593 CA CYS A 44 -5.783 0.212 8.039 1.00 0.00 C ATOM 594 C CYS A 44 -6.911 -0.239 8.957 1.00 0.00 C ATOM 595 O CYS A 44 -7.967 -0.657 8.486 1.00 0.00 O ATOM 596 CB CYS A 44 -5.392 -0.893 7.061 1.00 0.00 C ATOM 597 SG CYS A 44 -5.730 -0.500 5.306 1.00 0.00 S ATOM 0 H CYS A 44 -3.857 0.001 8.828 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.156 1.059 7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.329 -1.104 7.176 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -5.928 -1.804 7.327 1.00 0.00 H new ATOM 602 N GLN A 45 -6.713 -0.115 10.269 1.00 0.00 N ATOM 603 CA GLN A 45 -7.748 -0.467 11.218 1.00 0.00 C ATOM 604 C GLN A 45 -8.987 0.361 10.913 1.00 0.00 C ATOM 605 O GLN A 45 -10.116 -0.041 11.202 1.00 0.00 O ATOM 606 CB GLN A 45 -7.274 -0.200 12.644 1.00 0.00 C ATOM 607 CG GLN A 45 -7.033 -1.463 13.453 1.00 0.00 C ATOM 608 CD GLN A 45 -5.985 -2.363 12.830 1.00 0.00 C ATOM 609 OE1 GLN A 45 -6.196 -2.933 11.762 1.00 0.00 O ATOM 610 NE2 GLN A 45 -4.845 -2.495 13.499 1.00 0.00 N ATOM 0 H GLN A 45 -5.848 0.225 10.689 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.981 -1.528 11.132 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.352 0.380 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.016 0.413 13.156 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.720 -1.190 14.461 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.969 -2.013 13.548 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.712 -2.003 14.383 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.102 -3.088 13.129 1.00 0.00 H new ATOM 619 N GLU A 46 -8.751 1.519 10.298 1.00 0.00 N ATOM 620 CA GLU A 46 -9.821 2.419 9.911 1.00 0.00 C ATOM 621 C GLU A 46 -10.479 1.919 8.631 1.00 0.00 C ATOM 622 O GLU A 46 -11.591 2.326 8.288 1.00 0.00 O ATOM 623 CB GLU A 46 -9.255 3.818 9.678 1.00 0.00 C ATOM 624 CG GLU A 46 -8.362 3.902 8.449 1.00 0.00 C ATOM 625 CD GLU A 46 -9.101 4.395 7.219 1.00 0.00 C ATOM 626 OE1 GLU A 46 -10.204 4.963 7.375 1.00 0.00 O ATOM 627 OE2 GLU A 46 -8.578 4.215 6.100 1.00 0.00 O ATOM 0 H GLU A 46 -7.817 1.852 10.058 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.564 2.455 10.708 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.079 4.524 9.570 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.685 4.124 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.526 4.570 8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.940 2.918 8.244 1.00 0.00 H new ATOM 634 N GLU A 47 -9.777 1.031 7.927 1.00 0.00 N ATOM 635 CA GLU A 47 -10.289 0.471 6.684 1.00 0.00 C ATOM 636 C GLU A 47 -11.365 -0.580 6.956 1.00 0.00 C ATOM 637 O GLU A 47 -11.957 -1.125 6.025 1.00 0.00 O ATOM 638 CB GLU A 47 -9.144 -0.147 5.877 1.00 0.00 C ATOM 639 CG GLU A 47 -9.055 0.376 4.454 1.00 0.00 C ATOM 640 CD GLU A 47 -9.812 -0.489 3.465 1.00 0.00 C ATOM 641 OE1 GLU A 47 -9.444 -1.672 3.308 1.00 0.00 O ATOM 642 OE2 GLU A 47 -10.774 0.016 2.848 1.00 0.00 O ATOM 0 H GLU A 47 -8.856 0.687 8.198 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.741 1.278 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.202 0.051 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.271 -1.229 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.450 1.391 4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.008 0.431 4.156 1.00 0.00 H new ATOM 649 N ASN A 48 -11.622 -0.855 8.234 1.00 0.00 N ATOM 650 CA ASN A 48 -12.626 -1.830 8.616 1.00 0.00 C ATOM 651 C ASN A 48 -14.034 -1.244 8.502 1.00 0.00 C ATOM 652 O ASN A 48 -15.020 -1.952 8.688 1.00 0.00 O ATOM 653 CB ASN A 48 -12.372 -2.312 10.048 1.00 0.00 C ATOM 654 CG ASN A 48 -12.267 -3.822 10.141 1.00 0.00 C ATOM 655 OD1 ASN A 48 -12.000 -4.500 9.148 1.00 0.00 O ATOM 656 ND2 ASN A 48 -12.473 -4.357 11.340 1.00 0.00 N ATOM 0 H ASN A 48 -11.144 -0.412 9.019 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.554 -2.677 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.452 -1.863 10.421 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.180 -1.966 10.693 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.412 -5.368 11.465 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.692 -3.757 12.135 1.00 0.00 H new ATOM 663 N TYR A 49 -14.114 0.052 8.186 1.00 0.00 N ATOM 664 CA TYR A 49 -15.395 0.751 8.033 1.00 0.00 C ATOM 665 C TYR A 49 -15.364 1.638 6.790 1.00 0.00 C ATOM 666 O TYR A 49 -16.027 2.673 6.736 1.00 0.00 O ATOM 667 CB TYR A 49 -15.687 1.612 9.273 1.00 0.00 C ATOM 668 CG TYR A 49 -16.422 0.916 10.400 1.00 0.00 C ATOM 669 CD1 TYR A 49 -16.812 -0.399 10.286 1.00 0.00 C ATOM 670 CD2 TYR A 49 -16.722 1.588 11.579 1.00 0.00 C ATOM 671 CE1 TYR A 49 -17.485 -1.043 11.306 1.00 0.00 C ATOM 672 CE2 TYR A 49 -17.395 0.957 12.609 1.00 0.00 C ATOM 673 CZ TYR A 49 -17.774 -0.361 12.468 1.00 0.00 C ATOM 674 OH TYR A 49 -18.446 -0.998 13.489 1.00 0.00 O ATOM 0 H TYR A 49 -13.298 0.644 8.030 1.00 0.00 H new ATOM 0 HA TYR A 49 -16.184 0.006 7.924 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.741 1.990 9.660 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -16.273 2.477 8.962 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -16.587 -0.940 9.379 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -16.425 2.620 11.693 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -17.783 -2.075 11.193 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -17.622 1.493 13.518 1.00 0.00 H new ATOM 0 HH TYR A 49 -18.569 -0.377 14.237 1.00 0.00 H new ATOM 684 N LEU A 50 -14.598 1.215 5.788 1.00 0.00 N ATOM 685 CA LEU A 50 -14.478 1.953 4.546 1.00 0.00 C ATOM 686 C LEU A 50 -14.432 1.000 3.351 1.00 0.00 C ATOM 687 O LEU A 50 -13.835 -0.073 3.430 1.00 0.00 O ATOM 688 CB LEU A 50 -13.228 2.837 4.572 1.00 0.00 C ATOM 689 CG LEU A 50 -13.443 4.286 4.128 1.00 0.00 C ATOM 690 CD1 LEU A 50 -14.568 4.931 4.925 1.00 0.00 C ATOM 691 CD2 LEU A 50 -12.157 5.085 4.277 1.00 0.00 C ATOM 0 H LEU A 50 -14.049 0.356 5.819 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.356 2.591 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.826 2.840 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -12.471 2.386 3.931 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.728 4.283 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.705 5.960 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.491 4.374 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -14.315 4.921 5.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.328 6.113 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.843 5.078 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.377 4.638 3.660 1.00 0.00 H new ATOM 703 N PRO A 51 -15.068 1.380 2.226 1.00 0.00 N ATOM 704 CA PRO A 51 -15.103 0.554 1.011 1.00 0.00 C ATOM 705 C PRO A 51 -13.744 -0.049 0.657 1.00 0.00 C ATOM 706 O PRO A 51 -12.733 0.249 1.294 1.00 0.00 O ATOM 707 CB PRO A 51 -15.548 1.549 -0.054 1.00 0.00 C ATOM 708 CG PRO A 51 -16.450 2.466 0.689 1.00 0.00 C ATOM 709 CD PRO A 51 -15.814 2.642 2.042 1.00 0.00 C ATOM 0 HA PRO A 51 -15.758 -0.311 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.701 2.081 -0.486 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.066 1.054 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.550 3.422 0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.452 2.046 0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -15.153 3.509 2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -16.560 2.787 2.823 1.00 0.00 H new ATOM 717 N SER A 52 -13.732 -0.906 -0.361 1.00 0.00 N ATOM 718 CA SER A 52 -12.505 -1.563 -0.800 1.00 0.00 C ATOM 719 C SER A 52 -11.503 -0.560 -1.376 1.00 0.00 C ATOM 720 O SER A 52 -10.338 -0.546 -0.979 1.00 0.00 O ATOM 721 CB SER A 52 -12.823 -2.647 -1.835 1.00 0.00 C ATOM 722 OG SER A 52 -13.386 -3.791 -1.216 1.00 0.00 O ATOM 0 H SER A 52 -14.561 -1.162 -0.898 1.00 0.00 H new ATOM 0 HA SER A 52 -12.047 -2.026 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.516 -2.253 -2.578 1.00 0.00 H new ATOM 0 HB3 SER A 52 -11.913 -2.927 -2.365 1.00 0.00 H new ATOM 0 HG SER A 52 -13.582 -4.468 -1.897 1.00 0.00 H new ATOM 728 N PRO A 53 -11.935 0.294 -2.324 1.00 0.00 N ATOM 729 CA PRO A 53 -11.057 1.287 -2.942 1.00 0.00 C ATOM 730 C PRO A 53 -10.987 2.581 -2.138 1.00 0.00 C ATOM 731 O PRO A 53 -11.916 2.914 -1.402 1.00 0.00 O ATOM 732 CB PRO A 53 -11.738 1.532 -4.284 1.00 0.00 C ATOM 733 CG PRO A 53 -13.193 1.363 -3.999 1.00 0.00 C ATOM 734 CD PRO A 53 -13.302 0.355 -2.878 1.00 0.00 C ATOM 0 HA PRO A 53 -10.024 0.946 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.521 2.531 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.396 0.823 -5.038 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.644 2.313 -3.711 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.723 1.015 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -14.025 0.670 -2.125 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.628 -0.618 -3.245 1.00 0.00 H new ATOM 742 N CYS A 54 -9.879 3.307 -2.277 1.00 0.00 N ATOM 743 CA CYS A 54 -9.703 4.563 -1.554 1.00 0.00 C ATOM 744 C CYS A 54 -8.381 5.243 -1.919 1.00 0.00 C ATOM 745 O CYS A 54 -7.408 5.158 -1.169 1.00 0.00 O ATOM 746 CB CYS A 54 -9.755 4.312 -0.044 1.00 0.00 C ATOM 747 SG CYS A 54 -9.441 5.792 0.974 1.00 0.00 S ATOM 0 H CYS A 54 -9.096 3.049 -2.878 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.516 5.228 -1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.735 3.911 0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.021 3.548 0.211 1.00 0.00 H new ATOM 752 N GLN A 55 -8.351 5.935 -3.060 1.00 0.00 N ATOM 753 CA GLN A 55 -7.146 6.638 -3.491 1.00 0.00 C ATOM 754 C GLN A 55 -5.935 5.697 -3.562 1.00 0.00 C ATOM 755 O GLN A 55 -4.797 6.145 -3.676 1.00 0.00 O ATOM 756 CB GLN A 55 -6.869 7.789 -2.518 1.00 0.00 C ATOM 757 CG GLN A 55 -5.546 8.516 -2.733 1.00 0.00 C ATOM 758 CD GLN A 55 -5.251 9.521 -1.638 1.00 0.00 C ATOM 759 OE1 GLN A 55 -5.518 9.270 -0.463 1.00 0.00 O ATOM 760 NE2 GLN A 55 -4.692 10.663 -2.018 1.00 0.00 N ATOM 0 H GLN A 55 -9.143 6.022 -3.697 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.310 7.028 -4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.680 8.513 -2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.889 7.397 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.738 7.786 -2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.569 9.028 -3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.488 10.828 -3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.466 11.376 -1.324 1.00 0.00 H new ATOM 769 N SER A 56 -6.175 4.390 -3.493 1.00 0.00 N ATOM 770 CA SER A 56 -5.088 3.416 -3.547 1.00 0.00 C ATOM 771 C SER A 56 -4.174 3.685 -4.739 1.00 0.00 C ATOM 772 O SER A 56 -4.614 4.205 -5.764 1.00 0.00 O ATOM 773 CB SER A 56 -5.651 1.997 -3.624 1.00 0.00 C ATOM 774 OG SER A 56 -6.608 1.772 -2.603 1.00 0.00 O ATOM 0 H SER A 56 -7.106 3.983 -3.400 1.00 0.00 H new ATOM 0 HA SER A 56 -4.499 3.514 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.111 1.837 -4.599 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.840 1.275 -3.532 1.00 0.00 H new ATOM 0 HG SER A 56 -6.954 0.858 -2.675 1.00 0.00 H new ATOM 780 N GLY A 57 -2.901 3.329 -4.600 1.00 0.00 N ATOM 781 CA GLY A 57 -1.955 3.543 -5.679 1.00 0.00 C ATOM 782 C GLY A 57 -1.021 2.368 -5.845 1.00 0.00 C ATOM 783 O GLY A 57 -0.037 2.248 -5.116 1.00 0.00 O ATOM 0 H GLY A 57 -2.509 2.898 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.497 3.711 -6.610 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.375 4.444 -5.481 1.00 0.00 H new ATOM 787 N GLN A 58 -1.338 1.479 -6.782 1.00 0.00 N ATOM 788 CA GLN A 58 -0.526 0.300 -6.997 1.00 0.00 C ATOM 789 C GLN A 58 0.109 0.265 -8.395 1.00 0.00 C ATOM 790 O GLN A 58 -0.458 -0.301 -9.324 1.00 0.00 O ATOM 791 CB GLN A 58 -1.412 -0.908 -6.791 1.00 0.00 C ATOM 792 CG GLN A 58 -1.282 -1.493 -5.402 1.00 0.00 C ATOM 793 CD GLN A 58 0.071 -2.122 -5.154 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.970 -2.030 -5.979 1.00 0.00 O ATOM 795 NE2 GLN A 58 0.218 -2.776 -4.015 1.00 0.00 N ATOM 0 H GLN A 58 -2.147 1.557 -7.398 1.00 0.00 H new ATOM 0 HA GLN A 58 0.303 0.308 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.450 -0.627 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.158 -1.670 -7.528 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.453 -0.708 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.059 -2.243 -5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.557 -2.829 -3.354 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.106 -3.228 -3.797 1.00 0.00 H new ATOM 804 N LYS A 59 1.302 0.856 -8.515 1.00 0.00 N ATOM 805 CA LYS A 59 2.059 0.900 -9.759 1.00 0.00 C ATOM 806 C LYS A 59 2.534 -0.502 -10.176 1.00 0.00 C ATOM 807 O LYS A 59 3.456 -1.051 -9.584 1.00 0.00 O ATOM 808 CB LYS A 59 3.238 1.859 -9.584 1.00 0.00 C ATOM 809 CG LYS A 59 3.736 2.000 -8.147 1.00 0.00 C ATOM 810 CD LYS A 59 3.061 3.190 -7.461 1.00 0.00 C ATOM 811 CE LYS A 59 2.881 2.998 -5.956 1.00 0.00 C ATOM 812 NZ LYS A 59 2.617 1.583 -5.578 1.00 0.00 N ATOM 0 H LYS A 59 1.771 1.322 -7.738 1.00 0.00 H new ATOM 0 HA LYS A 59 1.415 1.262 -10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.063 1.517 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.947 2.843 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.527 1.086 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.818 2.135 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.655 4.087 -7.637 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.086 3.359 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.777 3.345 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.055 3.620 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.304 1.541 -4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.874 1.192 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.488 1.025 -5.690 1.00 0.00 H new ATOM 826 N PRO A 60 1.851 -1.118 -11.165 1.00 0.00 N ATOM 827 CA PRO A 60 2.122 -2.490 -11.643 1.00 0.00 C ATOM 828 C PRO A 60 3.578 -2.939 -11.792 1.00 0.00 C ATOM 829 O PRO A 60 4.497 -2.145 -11.992 1.00 0.00 O ATOM 830 CB PRO A 60 1.440 -2.495 -13.007 1.00 0.00 C ATOM 831 CG PRO A 60 0.243 -1.643 -12.806 1.00 0.00 C ATOM 832 CD PRO A 60 0.676 -0.547 -11.868 1.00 0.00 C ATOM 0 HA PRO A 60 1.763 -3.197 -10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.092 -2.092 -13.782 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.166 -3.504 -13.314 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.109 -1.232 -13.752 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.580 -2.218 -12.383 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.938 0.362 -12.410 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.118 -0.283 -11.169 1.00 0.00 H new ATOM 840 N CYS A 61 3.721 -4.278 -11.759 1.00 0.00 N ATOM 841 CA CYS A 61 4.986 -4.980 -11.944 1.00 0.00 C ATOM 842 C CYS A 61 4.723 -6.460 -12.223 1.00 0.00 C ATOM 843 O CYS A 61 3.690 -7.016 -11.821 1.00 0.00 O ATOM 844 CB CYS A 61 5.938 -4.855 -10.749 1.00 0.00 C ATOM 845 SG CYS A 61 5.167 -4.353 -9.179 1.00 0.00 S ATOM 0 H CYS A 61 2.935 -4.908 -11.598 1.00 0.00 H new ATOM 0 HA CYS A 61 5.477 -4.505 -12.793 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.433 -5.815 -10.600 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.714 -4.132 -11.000 1.00 0.00 H new ATOM 850 N GLY A 62 5.665 -7.088 -12.917 1.00 0.00 N ATOM 851 CA GLY A 62 5.545 -8.489 -13.268 1.00 0.00 C ATOM 852 C GLY A 62 5.593 -9.434 -12.078 1.00 0.00 C ATOM 853 O GLY A 62 5.642 -10.651 -12.256 1.00 0.00 O ATOM 0 H GLY A 62 6.522 -6.643 -13.247 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.606 -8.640 -13.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.348 -8.750 -13.958 1.00 0.00 H new ATOM 857 N SER A 63 5.592 -8.891 -10.866 1.00 0.00 N ATOM 858 CA SER A 63 5.646 -9.709 -9.679 1.00 0.00 C ATOM 859 C SER A 63 4.244 -10.023 -9.158 1.00 0.00 C ATOM 860 O SER A 63 3.944 -9.820 -7.982 1.00 0.00 O ATOM 861 CB SER A 63 6.472 -9.012 -8.600 1.00 0.00 C ATOM 862 OG SER A 63 6.660 -9.851 -7.475 1.00 0.00 O ATOM 0 H SER A 63 5.554 -7.887 -10.688 1.00 0.00 H new ATOM 0 HA SER A 63 6.124 -10.654 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.441 -8.726 -9.009 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.972 -8.094 -8.292 1.00 0.00 H new ATOM 0 HG SER A 63 7.332 -9.456 -6.881 1.00 0.00 H new ATOM 868 N GLY A 64 3.395 -10.531 -10.046 1.00 0.00 N ATOM 869 CA GLY A 64 2.041 -10.884 -9.673 1.00 0.00 C ATOM 870 C GLY A 64 1.268 -9.749 -9.041 1.00 0.00 C ATOM 871 O GLY A 64 0.438 -9.966 -8.158 1.00 0.00 O ATOM 0 H GLY A 64 3.625 -10.705 -11.024 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.507 -11.226 -10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.072 -11.722 -8.977 1.00 0.00 H new ATOM 875 N GLY A 65 1.526 -8.545 -9.504 1.00 0.00 N ATOM 876 CA GLY A 65 0.831 -7.390 -8.986 1.00 0.00 C ATOM 877 C GLY A 65 1.483 -6.078 -9.298 1.00 0.00 C ATOM 878 O GLY A 65 2.154 -5.925 -10.317 1.00 0.00 O ATOM 0 H GLY A 65 2.209 -8.342 -10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.182 -7.382 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.744 -7.490 -7.904 1.00 0.00 H new ATOM 882 N ARG A 66 1.268 -5.115 -8.420 1.00 0.00 N ATOM 883 CA ARG A 66 1.826 -3.802 -8.602 1.00 0.00 C ATOM 884 C ARG A 66 2.783 -3.440 -7.473 1.00 0.00 C ATOM 885 O ARG A 66 2.674 -3.954 -6.366 1.00 0.00 O ATOM 886 CB ARG A 66 0.744 -2.730 -8.717 1.00 0.00 C ATOM 887 CG ARG A 66 -0.612 -3.226 -9.221 1.00 0.00 C ATOM 888 CD ARG A 66 -0.474 -4.108 -10.453 1.00 0.00 C ATOM 889 NE ARG A 66 -1.739 -4.315 -11.147 1.00 0.00 N ATOM 890 CZ ARG A 66 -1.819 -4.776 -12.394 1.00 0.00 C ATOM 891 NH1 ARG A 66 -0.720 -5.125 -13.053 1.00 0.00 N ATOM 892 NH2 ARG A 66 -2.997 -4.901 -12.981 1.00 0.00 N ATOM 0 H ARG A 66 0.709 -5.225 -7.574 1.00 0.00 H new ATOM 0 HA ARG A 66 2.380 -3.833 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.604 -2.271 -7.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.099 -1.948 -9.388 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.111 -3.785 -8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.246 -2.371 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.241 -3.655 -11.140 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.065 -5.074 -10.158 1.00 0.00 H new ATOM 0 HE ARG A 66 -2.605 -4.096 -10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.192 -5.041 -12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.788 -5.477 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.847 -4.644 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.056 -5.254 -13.936 1.00 0.00 H new ATOM 906 N CYS A 67 3.724 -2.552 -7.777 1.00 0.00 N ATOM 907 CA CYS A 67 4.715 -2.101 -6.813 1.00 0.00 C ATOM 908 C CYS A 67 4.050 -1.410 -5.652 1.00 0.00 C ATOM 909 O CYS A 67 2.929 -0.924 -5.760 1.00 0.00 O ATOM 910 CB CYS A 67 5.729 -1.177 -7.479 1.00 0.00 C ATOM 911 SG CYS A 67 7.146 -0.734 -6.415 1.00 0.00 S ATOM 0 H CYS A 67 3.819 -2.126 -8.699 1.00 0.00 H new ATOM 0 HA CYS A 67 5.245 -2.974 -6.433 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.103 -1.657 -8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.222 -0.263 -7.790 1.00 0.00 H new ATOM 916 N ALA A 68 4.729 -1.412 -4.527 1.00 0.00 N ATOM 917 CA ALA A 68 4.170 -0.840 -3.332 1.00 0.00 C ATOM 918 C ALA A 68 5.252 -0.352 -2.355 1.00 0.00 C ATOM 919 O ALA A 68 5.777 0.755 -2.488 1.00 0.00 O ATOM 920 CB ALA A 68 3.281 -1.915 -2.707 1.00 0.00 C ATOM 0 H ALA A 68 5.665 -1.803 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 68 3.590 0.050 -3.574 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.831 -1.529 -1.793 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.495 -2.191 -3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.882 -2.793 -2.472 1.00 0.00 H new ATOM 926 N ALA A 69 5.531 -1.176 -1.358 1.00 0.00 N ATOM 927 CA ALA A 69 6.508 -0.881 -0.318 1.00 0.00 C ATOM 928 C ALA A 69 7.939 -1.041 -0.790 1.00 0.00 C ATOM 929 O ALA A 69 8.180 -1.220 -1.982 1.00 0.00 O ATOM 930 CB ALA A 69 6.268 -1.761 0.880 1.00 0.00 C ATOM 0 H ALA A 69 5.079 -2.083 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 69 6.374 0.167 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.003 -1.533 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.266 -1.581 1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.361 -2.807 0.588 1.00 0.00 H new ATOM 936 N ALA A 70 8.897 -0.974 0.164 1.00 0.00 N ATOM 937 CA ALA A 70 10.306 -1.133 -0.176 1.00 0.00 C ATOM 938 C ALA A 70 10.436 -2.304 -1.093 1.00 0.00 C ATOM 939 O ALA A 70 10.611 -3.428 -0.634 1.00 0.00 O ATOM 940 CB ALA A 70 11.174 -1.396 1.042 1.00 0.00 C ATOM 0 H ALA A 70 8.712 -0.813 1.154 1.00 0.00 H new ATOM 0 HA ALA A 70 10.643 -0.204 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.213 -1.506 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.090 -0.560 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.843 -2.311 1.534 1.00 0.00 H new ATOM 946 N GLY A 71 10.276 -2.070 -2.373 1.00 0.00 N ATOM 947 CA GLY A 71 10.324 -3.165 -3.276 1.00 0.00 C ATOM 948 C GLY A 71 9.289 -4.196 -2.892 1.00 0.00 C ATOM 949 O GLY A 71 9.617 -5.278 -2.420 1.00 0.00 O ATOM 0 H GLY A 71 10.116 -1.154 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.143 -2.817 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.318 -3.613 -3.265 1.00 0.00 H new ATOM 953 N ILE A 72 8.039 -3.851 -3.104 1.00 0.00 N ATOM 954 CA ILE A 72 6.942 -4.727 -2.795 1.00 0.00 C ATOM 955 C ILE A 72 5.880 -4.577 -3.854 1.00 0.00 C ATOM 956 O ILE A 72 5.293 -3.523 -4.026 1.00 0.00 O ATOM 957 CB ILE A 72 6.325 -4.456 -1.400 1.00 0.00 C ATOM 958 CG1 ILE A 72 7.197 -5.062 -0.297 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.904 -5.005 -1.306 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.959 -6.541 -0.051 1.00 0.00 C ATOM 0 H ILE A 72 7.759 -2.952 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 72 7.333 -5.744 -2.775 1.00 0.00 H new ATOM 0 HB ILE A 72 6.282 -3.376 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.245 -4.913 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.018 -4.518 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.499 -4.799 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.279 -4.527 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.918 -6.082 -1.475 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.618 -6.888 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.921 -6.699 0.242 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.167 -7.100 -0.963 1.00 0.00 H new ATOM 972 N CYS A 73 5.655 -5.648 -4.560 1.00 0.00 N ATOM 973 CA CYS A 73 4.673 -5.689 -5.591 1.00 0.00 C ATOM 974 C CYS A 73 3.506 -6.475 -5.020 1.00 0.00 C ATOM 975 O CYS A 73 3.614 -7.682 -4.768 1.00 0.00 O ATOM 976 CB CYS A 73 5.276 -6.309 -6.864 1.00 0.00 C ATOM 977 SG CYS A 73 4.340 -6.042 -8.403 1.00 0.00 S ATOM 0 H CYS A 73 6.158 -6.526 -4.430 1.00 0.00 H new ATOM 0 HA CYS A 73 4.326 -4.701 -5.893 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.280 -5.908 -6.999 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.380 -7.383 -6.707 1.00 0.00 H new ATOM 982 N CYS A 74 2.436 -5.763 -4.692 1.00 0.00 N ATOM 983 CA CYS A 74 1.303 -6.386 -4.034 1.00 0.00 C ATOM 984 C CYS A 74 0.217 -6.877 -4.977 1.00 0.00 C ATOM 985 O CYS A 74 0.112 -6.457 -6.127 1.00 0.00 O ATOM 986 CB CYS A 74 0.702 -5.423 -3.021 1.00 0.00 C ATOM 987 SG CYS A 74 -0.070 -6.240 -1.595 1.00 0.00 S ATOM 0 H CYS A 74 2.332 -4.764 -4.870 1.00 0.00 H new ATOM 0 HA CYS A 74 1.698 -7.275 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.484 -4.753 -2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.044 -4.805 -3.521 1.00 0.00 H new ATOM 992 N SER A 75 -0.602 -7.765 -4.426 1.00 0.00 N ATOM 993 CA SER A 75 -1.720 -8.357 -5.114 1.00 0.00 C ATOM 994 C SER A 75 -2.978 -8.191 -4.263 1.00 0.00 C ATOM 995 O SER A 75 -2.919 -7.617 -3.176 1.00 0.00 O ATOM 996 CB SER A 75 -1.447 -9.837 -5.393 1.00 0.00 C ATOM 997 OG SER A 75 -0.087 -10.045 -5.729 1.00 0.00 O ATOM 0 H SER A 75 -0.496 -8.094 -3.466 1.00 0.00 H new ATOM 0 HA SER A 75 -1.867 -7.855 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.704 -10.430 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.084 -10.181 -6.208 1.00 0.00 H new ATOM 0 HG SER A 75 -0.021 -10.329 -6.665 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.132 -8.681 -4.733 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.392 -8.565 -3.995 1.00 0.00 C ATOM 1005 C PRO A 76 -5.447 -9.507 -2.792 1.00 0.00 C ATOM 1006 O PRO A 76 -6.350 -9.412 -1.962 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.454 -8.983 -5.021 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.747 -9.045 -6.336 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.319 -9.365 -6.015 1.00 0.00 C ATOM 0 HA PRO A 76 -5.529 -7.560 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.887 -9.950 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.273 -8.265 -5.051 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.184 -9.808 -6.980 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.826 -8.097 -6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.151 -10.439 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.636 -8.993 -6.779 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.482 -10.416 -2.706 1.00 0.00 N ATOM 1018 CA ASP A 77 -4.428 -11.376 -1.605 1.00 0.00 C ATOM 1019 C ASP A 77 -3.310 -11.033 -0.619 1.00 0.00 C ATOM 1020 O ASP A 77 -3.436 -11.279 0.581 1.00 0.00 O ATOM 1021 CB ASP A 77 -4.222 -12.790 -2.153 1.00 0.00 C ATOM 1022 CG ASP A 77 -5.394 -13.703 -1.849 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -5.456 -14.230 -0.719 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -6.250 -13.888 -2.740 1.00 0.00 O ATOM 0 H ASP A 77 -3.726 -10.510 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 77 -5.377 -11.327 -1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.073 -12.741 -3.232 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.314 -13.214 -1.725 1.00 0.00 H new ATOM 1029 N GLY A 78 -2.221 -10.466 -1.128 1.00 0.00 N ATOM 1030 CA GLY A 78 -1.109 -10.102 -0.280 1.00 0.00 C ATOM 1031 C GLY A 78 0.062 -9.531 -1.055 1.00 0.00 C ATOM 1032 O GLY A 78 0.107 -9.623 -2.283 1.00 0.00 O ATOM 0 H GLY A 78 -2.092 -10.253 -2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.444 -9.370 0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.778 -10.981 0.274 1.00 0.00 H new ATOM 1036 N CYS A 79 1.011 -8.930 -0.341 1.00 0.00 N ATOM 1037 CA CYS A 79 2.177 -8.349 -0.986 1.00 0.00 C ATOM 1038 C CYS A 79 3.372 -9.292 -0.957 1.00 0.00 C ATOM 1039 O CYS A 79 3.391 -10.279 -0.224 1.00 0.00 O ATOM 1040 CB CYS A 79 2.577 -7.031 -0.326 1.00 0.00 C ATOM 1041 SG CYS A 79 1.224 -5.835 -0.094 1.00 0.00 S ATOM 0 H CYS A 79 0.993 -8.835 0.674 1.00 0.00 H new ATOM 0 HA CYS A 79 1.894 -8.168 -2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.017 -7.250 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.354 -6.563 -0.930 1.00 0.00 H new ATOM 1046 N GLU A 80 4.382 -8.948 -1.749 1.00 0.00 N ATOM 1047 CA GLU A 80 5.606 -9.716 -1.821 1.00 0.00 C ATOM 1048 C GLU A 80 6.762 -8.816 -2.241 1.00 0.00 C ATOM 1049 O GLU A 80 6.586 -7.927 -3.074 1.00 0.00 O ATOM 1050 CB GLU A 80 5.452 -10.889 -2.789 1.00 0.00 C ATOM 1051 CG GLU A 80 5.341 -10.474 -4.248 1.00 0.00 C ATOM 1052 CD GLU A 80 6.355 -11.172 -5.132 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.548 -10.803 -5.075 1.00 0.00 O ATOM 1054 OE2 GLU A 80 5.957 -12.087 -5.883 1.00 0.00 O ATOM 0 H GLU A 80 4.369 -8.128 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 80 5.822 -10.123 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.307 -11.556 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.564 -11.459 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.337 -10.695 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.478 -9.395 -4.326 1.00 0.00 H new ATOM 1061 N GLU A 81 7.944 -9.034 -1.669 1.00 0.00 N ATOM 1062 CA GLU A 81 9.089 -8.220 -2.005 1.00 0.00 C ATOM 1063 C GLU A 81 9.409 -8.356 -3.479 1.00 0.00 C ATOM 1064 O GLU A 81 9.796 -9.428 -3.941 1.00 0.00 O ATOM 1065 CB GLU A 81 10.291 -8.614 -1.157 1.00 0.00 C ATOM 1066 CG GLU A 81 10.499 -10.103 -1.047 1.00 0.00 C ATOM 1067 CD GLU A 81 10.903 -10.540 0.348 1.00 0.00 C ATOM 1068 OE1 GLU A 81 11.886 -9.986 0.883 1.00 0.00 O ATOM 1069 OE2 GLU A 81 10.240 -11.442 0.902 1.00 0.00 O ATOM 0 H GLU A 81 8.124 -9.762 -0.978 1.00 0.00 H new ATOM 0 HA GLU A 81 8.851 -7.177 -1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.187 -8.162 -1.582 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.169 -8.199 -0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.580 -10.615 -1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.268 -10.411 -1.756 1.00 0.00 H new ATOM 1076 N ASP A 82 9.225 -7.269 -4.216 1.00 0.00 N ATOM 1077 CA ASP A 82 9.467 -7.272 -5.635 1.00 0.00 C ATOM 1078 C ASP A 82 10.877 -6.769 -5.973 1.00 0.00 C ATOM 1079 O ASP A 82 11.187 -5.588 -5.848 1.00 0.00 O ATOM 1080 CB ASP A 82 8.393 -6.447 -6.348 1.00 0.00 C ATOM 1081 CG ASP A 82 8.310 -5.030 -5.845 1.00 0.00 C ATOM 1082 OD1 ASP A 82 9.282 -4.576 -5.229 1.00 0.00 O ATOM 1083 OD2 ASP A 82 7.280 -4.365 -6.087 1.00 0.00 O ATOM 0 H ASP A 82 8.907 -6.374 -3.844 1.00 0.00 H new ATOM 0 HA ASP A 82 9.409 -8.301 -5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.602 -6.435 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.425 -6.930 -6.218 1.00 0.00 H new ATOM 1088 N PRO A 83 11.748 -7.693 -6.408 1.00 0.00 N ATOM 1089 CA PRO A 83 13.123 -7.401 -6.786 1.00 0.00 C ATOM 1090 C PRO A 83 13.151 -6.385 -7.895 1.00 0.00 C ATOM 1091 O PRO A 83 14.175 -5.795 -8.218 1.00 0.00 O ATOM 1092 CB PRO A 83 13.656 -8.758 -7.258 1.00 0.00 C ATOM 1093 CG PRO A 83 12.777 -9.748 -6.593 1.00 0.00 C ATOM 1094 CD PRO A 83 11.434 -9.095 -6.564 1.00 0.00 C ATOM 0 HA PRO A 83 13.718 -6.978 -5.977 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.608 -8.849 -8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.699 -8.897 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.750 -10.688 -7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.128 -9.978 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.876 -9.282 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.825 -9.465 -5.739 1.00 0.00 H new ATOM 1102 N ALA A 84 11.990 -6.173 -8.445 1.00 0.00 N ATOM 1103 CA ALA A 84 11.791 -5.218 -9.473 1.00 0.00 C ATOM 1104 C ALA A 84 11.793 -3.812 -8.895 1.00 0.00 C ATOM 1105 O ALA A 84 12.093 -2.840 -9.587 1.00 0.00 O ATOM 1106 CB ALA A 84 10.463 -5.515 -10.126 1.00 0.00 C ATOM 0 H ALA A 84 11.143 -6.675 -8.179 1.00 0.00 H new ATOM 0 HA ALA A 84 12.595 -5.277 -10.206 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.281 -4.795 -10.924 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.480 -6.522 -10.543 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.668 -5.443 -9.384 1.00 0.00 H new ATOM 1112 N CYS A 85 11.363 -3.707 -7.635 1.00 0.00 N ATOM 1113 CA CYS A 85 11.229 -2.413 -6.999 1.00 0.00 C ATOM 1114 C CYS A 85 12.218 -2.054 -5.853 1.00 0.00 C ATOM 1115 O CYS A 85 12.383 -0.855 -5.622 1.00 0.00 O ATOM 1116 CB CYS A 85 9.782 -2.216 -6.534 1.00 0.00 C ATOM 1117 SG CYS A 85 8.795 -1.074 -7.557 1.00 0.00 S ATOM 0 H CYS A 85 11.106 -4.500 -7.047 1.00 0.00 H new ATOM 0 HA CYS A 85 11.512 -1.713 -7.786 1.00 0.00 H new ATOM 0 HB2 CYS A 85 9.286 -3.186 -6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.792 -1.846 -5.509 1.00 0.00 H new ATOM 1122 N ASP A 86 12.869 -2.991 -5.092 1.00 0.00 N ATOM 1123 CA ASP A 86 13.758 -2.467 -3.994 1.00 0.00 C ATOM 1124 C ASP A 86 14.447 -3.408 -2.962 1.00 0.00 C ATOM 1125 O ASP A 86 15.434 -2.979 -2.361 1.00 0.00 O ATOM 1126 CB ASP A 86 12.915 -1.568 -3.101 1.00 0.00 C ATOM 1127 CG ASP A 86 13.735 -0.594 -2.278 1.00 0.00 C ATOM 1128 OD1 ASP A 86 14.358 -1.031 -1.287 1.00 0.00 O ATOM 1129 OD2 ASP A 86 13.749 0.608 -2.617 1.00 0.00 O ATOM 0 H ASP A 86 12.812 -4.004 -5.195 1.00 0.00 H new ATOM 0 HA ASP A 86 14.567 -2.050 -4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.214 -1.008 -3.720 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.322 -2.189 -2.430 1.00 0.00 H new ATOM 1134 N PRO A 87 13.915 -4.587 -2.587 1.00 0.00 N ATOM 1135 CA PRO A 87 14.468 -5.386 -1.494 1.00 0.00 C ATOM 1136 C PRO A 87 15.173 -6.612 -1.982 1.00 0.00 C ATOM 1137 O PRO A 87 16.401 -6.697 -2.005 1.00 0.00 O ATOM 1138 CB PRO A 87 13.189 -5.769 -0.736 1.00 0.00 C ATOM 1139 CG PRO A 87 12.069 -5.438 -1.678 1.00 0.00 C ATOM 1140 CD PRO A 87 12.700 -5.219 -3.025 1.00 0.00 C ATOM 0 HA PRO A 87 15.218 -4.856 -0.906 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.186 -6.827 -0.475 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.100 -5.211 0.196 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.341 -6.249 -1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.535 -4.546 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.877 -6.148 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 87 12.101 -4.581 -3.675 1.00 0.00 H new ATOM 1148 N GLU A 88 14.359 -7.527 -2.448 1.00 0.00 N ATOM 1149 CA GLU A 88 14.837 -8.739 -3.044 1.00 0.00 C ATOM 1150 C GLU A 88 15.477 -8.326 -4.370 1.00 0.00 C ATOM 1151 O GLU A 88 16.113 -9.108 -5.076 1.00 0.00 O ATOM 1152 CB GLU A 88 13.659 -9.699 -3.256 1.00 0.00 C ATOM 1153 CG GLU A 88 14.071 -11.141 -3.492 1.00 0.00 C ATOM 1154 CD GLU A 88 13.274 -12.121 -2.653 1.00 0.00 C ATOM 1155 OE1 GLU A 88 12.176 -12.523 -3.094 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.746 -12.485 -1.557 1.00 0.00 O ATOM 0 H GLU A 88 13.343 -7.447 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 88 15.562 -9.260 -2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.008 -9.656 -2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.073 -9.355 -4.108 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.943 -11.383 -4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.131 -11.254 -3.266 1.00 0.00 H new ATOM 1163 N ALA A 89 15.280 -7.035 -4.641 1.00 0.00 N ATOM 1164 CA ALA A 89 15.767 -6.322 -5.793 1.00 0.00 C ATOM 1165 C ALA A 89 17.253 -6.028 -5.682 1.00 0.00 C ATOM 1166 O ALA A 89 17.988 -6.678 -4.939 1.00 0.00 O ATOM 1167 CB ALA A 89 15.002 -5.008 -5.847 1.00 0.00 C ATOM 0 H ALA A 89 14.742 -6.435 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 89 15.620 -6.924 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.336 -4.428 -6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.935 -5.212 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 89 15.186 -4.442 -4.934 1.00 0.00 H new ATOM 1173 N ALA A 90 17.656 -4.988 -6.394 1.00 0.00 N ATOM 1174 CA ALA A 90 19.011 -4.499 -6.369 1.00 0.00 C ATOM 1175 C ALA A 90 19.272 -3.957 -4.981 1.00 0.00 C ATOM 1176 O ALA A 90 18.371 -3.981 -4.142 1.00 0.00 O ATOM 1177 CB ALA A 90 19.164 -3.379 -7.383 1.00 0.00 C ATOM 0 H ALA A 90 17.039 -4.459 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 90 19.714 -5.296 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 90 20.189 -3.009 -7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.932 -3.756 -8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 90 18.480 -2.567 -7.134 1.00 0.00 H new ATOM 1183 N PHE A 91 20.458 -3.428 -4.727 1.00 0.00 N ATOM 1184 CA PHE A 91 20.710 -2.853 -3.418 1.00 0.00 C ATOM 1185 C PHE A 91 19.968 -1.523 -3.364 1.00 0.00 C ATOM 1186 O PHE A 91 20.565 -0.452 -3.250 1.00 0.00 O ATOM 1187 CB PHE A 91 22.208 -2.645 -3.189 1.00 0.00 C ATOM 1188 CG PHE A 91 22.595 -2.641 -1.739 1.00 0.00 C ATOM 1189 CD1 PHE A 91 22.438 -1.499 -0.970 1.00 0.00 C ATOM 1190 CD2 PHE A 91 23.111 -3.780 -1.142 1.00 0.00 C ATOM 1191 CE1 PHE A 91 22.788 -1.493 0.367 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.463 -3.780 0.194 1.00 0.00 C ATOM 1193 CZ PHE A 91 23.301 -2.635 0.949 1.00 0.00 C ATOM 0 H PHE A 91 21.236 -3.385 -5.385 1.00 0.00 H new ATOM 0 HA PHE A 91 20.361 -3.524 -2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 91 22.759 -3.433 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 91 22.509 -1.700 -3.640 1.00 0.00 H new ATOM 0 HD1 PHE A 91 22.037 -0.603 -1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.240 -4.678 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 91 22.660 -0.596 0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.864 -4.674 0.647 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.575 -2.633 1.994 1.00 0.00 H new ATOM 1203 N SER A 92 18.644 -1.629 -3.483 1.00 0.00 N ATOM 1204 CA SER A 92 17.752 -0.485 -3.491 1.00 0.00 C ATOM 1205 C SER A 92 17.094 -0.303 -2.126 1.00 0.00 C ATOM 1206 O SER A 92 17.266 -1.192 -1.265 1.00 0.00 O ATOM 1207 CB SER A 92 16.700 -0.687 -4.602 1.00 0.00 C ATOM 1208 OG SER A 92 15.577 0.169 -4.440 1.00 0.00 O ATOM 1209 OXT SER A 92 16.409 0.723 -1.932 1.00 0.00 O ATOM 0 H SER A 92 18.163 -2.523 -3.577 1.00 0.00 H new ATOM 0 HA SER A 92 18.318 0.424 -3.695 1.00 0.00 H new ATOM 0 HB2 SER A 92 17.159 -0.501 -5.573 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.367 -1.725 -4.600 1.00 0.00 H new ATOM 0 HG SER A 92 15.667 0.672 -3.603 1.00 0.00 H new TER 1215 SER A 92