USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 498 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 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 77:sc=-0.00362 USER MOD Single : A 18 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.33) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0241 USER MOD Single : A 36 SER OG : rot 159:sc= 1.18 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 74:sc= 1.24 USER MOD Single : A 58 THR OG1 : rot -70:sc= 1.23 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 37:sc= 0.114 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.544 9.271 21.281 1.00 25.00 N ATOM 2 CA ALA A 1 -3.328 10.020 20.908 1.00 25.00 C ATOM 3 C ALA A 1 -2.214 9.156 20.310 1.00 25.00 C ATOM 4 O ALA A 1 -1.502 8.432 20.978 1.00 25.00 O ATOM 5 CB ALA A 1 -2.822 10.756 22.158 1.00 25.00 C ATOM 0 H1 ALA A 1 -5.248 9.926 21.677 1.00 25.00 H new ATOM 0 H2 ALA A 1 -4.939 8.807 20.438 1.00 25.00 H new ATOM 0 H3 ALA A 1 -4.304 8.551 21.992 1.00 25.00 H new ATOM 0 HA ALA A 1 -3.602 10.716 20.115 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -1.922 11.319 21.910 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -3.592 11.441 22.513 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -2.593 10.031 22.939 1.00 25.00 H new ATOM 10 N TYR A 2 -2.076 9.238 18.983 1.00 25.00 N ATOM 11 CA TYR A 2 -1.075 8.493 18.244 1.00 25.00 C ATOM 12 C TYR A 2 -0.349 9.461 17.318 1.00 25.00 C ATOM 13 O TYR A 2 -0.839 10.557 17.054 1.00 25.00 O ATOM 14 CB TYR A 2 -1.760 7.390 17.448 1.00 25.00 C ATOM 15 CG TYR A 2 -0.815 6.330 16.961 1.00 25.00 C ATOM 16 CD1 TYR A 2 -0.425 6.278 15.613 1.00 25.00 C ATOM 17 CD2 TYR A 2 -0.307 5.367 17.847 1.00 25.00 C ATOM 18 CE1 TYR A 2 0.453 5.260 15.145 1.00 25.00 C ATOM 19 CE2 TYR A 2 0.571 4.346 17.390 1.00 25.00 C ATOM 20 CZ TYR A 2 0.933 4.300 16.039 1.00 25.00 C ATOM 21 OH TYR A 2 1.770 3.310 15.596 1.00 25.00 O ATOM 0 H TYR A 2 -2.664 9.830 18.396 1.00 25.00 H new ATOM 0 HA TYR A 2 -0.354 8.031 18.919 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -2.526 6.926 18.070 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -2.270 7.833 16.592 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -0.796 7.020 14.922 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -0.587 5.402 18.890 1.00 25.00 H new ATOM 0 HE1 TYR A 2 0.746 5.230 14.106 1.00 25.00 H new ATOM 0 HE2 TYR A 2 0.956 3.611 18.081 1.00 25.00 H new ATOM 0 HH TYR A 2 2.012 2.726 16.345 1.00 25.00 H new ATOM 31 N ARG A 3 0.833 9.077 16.859 1.00 25.00 N ATOM 32 CA ARG A 3 1.641 9.950 16.005 1.00 25.00 C ATOM 33 C ARG A 3 1.065 10.014 14.581 1.00 25.00 C ATOM 34 O ARG A 3 0.558 9.018 14.067 1.00 25.00 O ATOM 35 CB ARG A 3 3.109 9.478 15.979 1.00 25.00 C ATOM 36 CG ARG A 3 3.351 8.060 15.426 1.00 25.00 C ATOM 37 CD ARG A 3 3.639 7.057 16.540 1.00 25.00 C ATOM 38 NE ARG A 3 4.069 5.764 15.983 1.00 25.00 N ATOM 39 CZ ARG A 3 4.377 4.685 16.689 1.00 25.00 C ATOM 40 NH1 ARG A 3 4.314 4.659 18.004 1.00 25.00 N ATOM 41 NH2 ARG A 3 4.754 3.613 16.055 1.00 25.00 N ATOM 0 H ARG A 3 1.257 8.171 17.060 1.00 25.00 H new ATOM 0 HA ARG A 3 1.611 10.955 16.425 1.00 25.00 H new ATOM 0 HB2 ARG A 3 3.687 10.183 15.382 1.00 25.00 H new ATOM 0 HB3 ARG A 3 3.503 9.523 16.994 1.00 25.00 H new ATOM 0 HG2 ARG A 3 2.476 7.736 14.863 1.00 25.00 H new ATOM 0 HG3 ARG A 3 4.189 8.080 14.730 1.00 25.00 H new ATOM 0 HD2 ARG A 3 4.414 7.450 17.198 1.00 25.00 H new ATOM 0 HD3 ARG A 3 2.746 6.917 17.149 1.00 25.00 H new ATOM 0 HE ARG A 3 4.136 5.692 14.968 1.00 25.00 H new ATOM 0 HH11 ARG A 3 4.019 5.490 18.517 1.00 25.00 H new ATOM 0 HH12 ARG A 3 4.560 3.808 18.510 1.00 25.00 H new ATOM 0 HH21 ARG A 3 4.807 3.615 15.036 1.00 25.00 H new ATOM 0 HH22 ARG A 3 4.996 2.771 16.577 1.00 25.00 H new ATOM 55 N PRO A 4 1.126 11.192 13.930 1.00 25.00 N ATOM 56 CA PRO A 4 0.630 11.244 12.552 1.00 25.00 C ATOM 57 C PRO A 4 1.614 10.640 11.553 1.00 25.00 C ATOM 58 O PRO A 4 2.811 10.544 11.821 1.00 25.00 O ATOM 59 CB PRO A 4 0.472 12.741 12.306 1.00 25.00 C ATOM 60 CG PRO A 4 1.557 13.350 13.119 1.00 25.00 C ATOM 61 CD PRO A 4 1.632 12.508 14.371 1.00 25.00 C ATOM 0 HA PRO A 4 -0.287 10.670 12.422 1.00 25.00 H new ATOM 0 HB2 PRO A 4 0.578 12.986 11.249 1.00 25.00 H new ATOM 0 HB3 PRO A 4 -0.510 13.096 12.619 1.00 25.00 H new ATOM 0 HG2 PRO A 4 2.505 13.341 12.581 1.00 25.00 H new ATOM 0 HG3 PRO A 4 1.335 14.390 13.357 1.00 25.00 H new ATOM 0 HD2 PRO A 4 2.652 12.440 14.749 1.00 25.00 H new ATOM 0 HD3 PRO A 4 1.022 12.925 15.173 1.00 25.00 H new ATOM 69 N SER A 5 1.104 10.266 10.390 1.00 25.00 N ATOM 70 CA SER A 5 1.919 9.658 9.333 1.00 25.00 C ATOM 71 C SER A 5 1.675 10.315 7.973 1.00 25.00 C ATOM 72 O SER A 5 1.000 9.756 7.121 1.00 25.00 O ATOM 73 CB SER A 5 1.606 8.161 9.244 1.00 25.00 C ATOM 74 OG SER A 5 1.758 7.546 10.513 1.00 25.00 O ATOM 0 H SER A 5 0.119 10.372 10.146 1.00 25.00 H new ATOM 0 HA SER A 5 2.967 9.810 9.591 1.00 25.00 H new ATOM 0 HB2 SER A 5 0.588 8.017 8.883 1.00 25.00 H new ATOM 0 HB3 SER A 5 2.270 7.687 8.521 1.00 25.00 H new ATOM 0 HG SER A 5 1.553 6.590 10.440 1.00 25.00 H new ATOM 80 N GLU A 6 2.215 11.514 7.773 1.00 25.00 N ATOM 81 CA GLU A 6 2.061 12.208 6.481 1.00 25.00 C ATOM 82 C GLU A 6 2.916 11.527 5.404 1.00 25.00 C ATOM 83 O GLU A 6 2.688 11.686 4.207 1.00 25.00 O ATOM 84 CB GLU A 6 2.428 13.695 6.602 1.00 25.00 C ATOM 85 CG GLU A 6 3.909 13.978 6.864 1.00 25.00 C ATOM 86 CD GLU A 6 4.204 15.449 6.948 1.00 25.00 C ATOM 87 OE1 GLU A 6 4.806 16.055 6.114 1.00 25.00 O ATOM 88 OE2 GLU A 6 3.732 16.011 8.003 1.00 25.00 O ATOM 0 H GLU A 6 2.756 12.025 8.471 1.00 25.00 H new ATOM 0 HA GLU A 6 1.013 12.146 6.187 1.00 25.00 H new ATOM 0 HB2 GLU A 6 2.134 14.202 5.683 1.00 25.00 H new ATOM 0 HB3 GLU A 6 1.842 14.134 7.409 1.00 25.00 H new ATOM 0 HG2 GLU A 6 4.209 13.496 7.794 1.00 25.00 H new ATOM 0 HG3 GLU A 6 4.507 13.535 6.068 1.00 25.00 H new ATOM 96 N THR A 7 3.871 10.734 5.857 1.00 25.00 N ATOM 97 CA THR A 7 4.682 9.876 5.009 1.00 25.00 C ATOM 98 C THR A 7 4.590 8.549 5.733 1.00 25.00 C ATOM 99 O THR A 7 4.306 8.522 6.931 1.00 25.00 O ATOM 100 CB THR A 7 6.146 10.344 4.924 1.00 25.00 C ATOM 101 OG1 THR A 7 6.600 10.724 6.226 1.00 25.00 O ATOM 102 CG2 THR A 7 6.281 11.546 4.001 1.00 25.00 C ATOM 0 H THR A 7 4.110 10.667 6.846 1.00 25.00 H new ATOM 0 HA THR A 7 4.340 9.857 3.974 1.00 25.00 H new ATOM 0 HB THR A 7 6.743 9.521 4.531 1.00 25.00 H new ATOM 0 HG1 THR A 7 7.533 11.021 6.174 1.00 25.00 H new ATOM 0 HG21 THR A 7 7.325 11.857 3.959 1.00 25.00 H new ATOM 0 HG22 THR A 7 5.942 11.277 3.001 1.00 25.00 H new ATOM 0 HG23 THR A 7 5.673 12.367 4.381 1.00 25.00 H new ATOM 110 N LEU A 8 4.768 7.461 5.007 1.00 25.00 N ATOM 111 CA LEU A 8 4.546 6.127 5.531 1.00 25.00 C ATOM 112 C LEU A 8 5.694 5.216 5.135 1.00 25.00 C ATOM 113 O LEU A 8 6.082 5.164 3.968 1.00 25.00 O ATOM 114 CB LEU A 8 3.246 5.606 4.940 1.00 25.00 C ATOM 115 CG LEU A 8 2.558 4.456 5.660 1.00 25.00 C ATOM 116 CD1 LEU A 8 2.056 4.842 7.049 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.401 4.025 4.785 1.00 25.00 C ATOM 0 H LEU A 8 5.072 7.478 4.033 1.00 25.00 H new ATOM 0 HA LEU A 8 4.488 6.152 6.619 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.544 6.438 4.887 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.445 5.291 3.916 1.00 25.00 H new ATOM 0 HG LEU A 8 3.273 3.649 5.818 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.574 3.982 7.514 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.897 5.163 7.664 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.338 5.657 6.963 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.873 3.198 5.261 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.716 4.862 4.649 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.779 3.704 3.814 1.00 25.00 H new ATOM 129 N CYS A 9 6.270 4.528 6.106 1.00 25.00 N ATOM 130 CA CYS A 9 7.467 3.731 5.862 1.00 25.00 C ATOM 131 C CYS A 9 7.511 2.511 6.774 1.00 25.00 C ATOM 132 O CYS A 9 6.757 2.419 7.736 1.00 25.00 O ATOM 133 CB CYS A 9 8.700 4.606 6.114 1.00 25.00 C ATOM 134 SG CYS A 9 10.079 4.314 4.958 1.00 25.00 S ATOM 0 H CYS A 9 5.932 4.503 7.068 1.00 25.00 H new ATOM 0 HA CYS A 9 7.453 3.380 4.830 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.406 5.654 6.052 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.052 4.433 7.131 1.00 25.00 H new ATOM 139 N GLY A 10 8.419 1.590 6.487 1.00 25.00 N ATOM 140 CA GLY A 10 8.600 0.433 7.348 1.00 25.00 C ATOM 141 C GLY A 10 7.363 -0.437 7.455 1.00 25.00 C ATOM 142 O GLY A 10 6.615 -0.605 6.493 1.00 25.00 O ATOM 0 H GLY A 10 9.035 1.620 5.674 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.426 -0.168 6.968 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.884 0.772 8.344 1.00 25.00 H new ATOM 146 N GLY A 11 7.145 -0.984 8.643 1.00 25.00 N ATOM 147 CA GLY A 11 5.999 -1.846 8.878 1.00 25.00 C ATOM 148 C GLY A 11 4.679 -1.103 8.856 1.00 25.00 C ATOM 149 O GLY A 11 3.651 -1.701 8.616 1.00 25.00 O ATOM 0 H GLY A 11 7.746 -0.846 9.456 1.00 25.00 H new ATOM 0 HA2 GLY A 11 5.980 -2.629 8.120 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.115 -2.339 9.843 1.00 25.00 H new ATOM 153 N GLU A 12 4.707 0.205 9.064 1.00 25.00 N ATOM 154 CA GLU A 12 3.481 1.006 9.053 1.00 25.00 C ATOM 155 C GLU A 12 2.929 1.072 7.619 1.00 25.00 C ATOM 156 O GLU A 12 1.720 1.153 7.401 1.00 25.00 O ATOM 157 CB GLU A 12 3.774 2.407 9.619 1.00 25.00 C ATOM 158 CG GLU A 12 4.291 2.364 11.084 1.00 25.00 C ATOM 159 CD GLU A 12 4.631 3.743 11.665 1.00 25.00 C ATOM 160 OE1 GLU A 12 5.204 4.574 10.928 1.00 25.00 O ATOM 161 OE2 GLU A 12 4.409 3.960 12.894 1.00 25.00 O ATOM 0 H GLU A 12 5.559 0.737 9.242 1.00 25.00 H new ATOM 0 HA GLU A 12 2.722 0.545 9.685 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.515 2.901 8.991 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.867 3.009 9.575 1.00 25.00 H new ATOM 0 HG2 GLU A 12 3.535 1.893 11.712 1.00 25.00 H new ATOM 0 HG3 GLU A 12 5.179 1.734 11.127 1.00 25.00 H new ATOM 168 N LEU A 13 3.816 0.948 6.637 1.00 25.00 N ATOM 169 CA LEU A 13 3.389 0.883 5.239 1.00 25.00 C ATOM 170 C LEU A 13 2.713 -0.452 4.976 1.00 25.00 C ATOM 171 O LEU A 13 1.677 -0.528 4.330 1.00 25.00 O ATOM 172 CB LEU A 13 4.590 1.038 4.299 1.00 25.00 C ATOM 173 CG LEU A 13 4.373 1.943 3.075 1.00 25.00 C ATOM 174 CD1 LEU A 13 5.654 1.983 2.255 1.00 25.00 C ATOM 175 CD2 LEU A 13 3.214 1.520 2.199 1.00 25.00 C ATOM 0 H LEU A 13 4.825 0.891 6.778 1.00 25.00 H new ATOM 0 HA LEU A 13 2.689 1.697 5.051 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.428 1.432 4.874 1.00 25.00 H new ATOM 0 HB3 LEU A 13 4.882 0.048 3.948 1.00 25.00 H new ATOM 0 HG LEU A 13 4.118 2.933 3.453 1.00 25.00 H new ATOM 0 HD11 LEU A 13 5.509 2.623 1.385 1.00 25.00 H new ATOM 0 HD12 LEU A 13 6.465 2.380 2.866 1.00 25.00 H new ATOM 0 HD13 LEU A 13 5.907 0.975 1.926 1.00 25.00 H new ATOM 0 HD21 LEU A 13 3.125 2.207 1.357 1.00 25.00 H new ATOM 0 HD22 LEU A 13 3.389 0.510 1.827 1.00 25.00 H new ATOM 0 HD23 LEU A 13 2.293 1.538 2.781 1.00 25.00 H new ATOM 187 N VAL A 14 3.322 -1.503 5.498 1.00 25.00 N ATOM 188 CA VAL A 14 2.818 -2.862 5.329 1.00 25.00 C ATOM 189 C VAL A 14 1.451 -3.004 6.008 1.00 25.00 C ATOM 190 O VAL A 14 0.551 -3.632 5.464 1.00 25.00 O ATOM 191 CB VAL A 14 3.836 -3.890 5.907 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.310 -5.315 5.784 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.188 -3.771 5.165 1.00 25.00 C ATOM 0 H VAL A 14 4.178 -1.442 6.050 1.00 25.00 H new ATOM 0 HA VAL A 14 2.696 -3.067 4.265 1.00 25.00 H new ATOM 0 HB VAL A 14 3.977 -3.665 6.964 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.042 -6.010 6.196 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.374 -5.406 6.335 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.138 -5.550 4.734 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.893 -4.493 5.576 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.040 -3.972 4.104 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.585 -2.764 5.292 1.00 25.00 H new ATOM 203 N ASP A 15 1.289 -2.374 7.162 1.00 25.00 N ATOM 204 CA ASP A 15 0.011 -2.379 7.880 1.00 25.00 C ATOM 205 C ASP A 15 -1.088 -1.727 7.043 1.00 25.00 C ATOM 206 O ASP A 15 -2.151 -2.298 6.838 1.00 25.00 O ATOM 207 CB ASP A 15 0.167 -1.619 9.198 1.00 25.00 C ATOM 208 CG ASP A 15 -1.111 -1.593 10.006 1.00 25.00 C ATOM 209 OD1 ASP A 15 -1.331 -2.528 10.802 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.877 -0.619 9.869 1.00 25.00 O ATOM 0 H ASP A 15 2.028 -1.848 7.628 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.273 -3.413 8.076 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.957 -2.082 9.789 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.482 -0.597 8.989 1.00 25.00 H new ATOM 215 N THR A 16 -0.804 -0.556 6.494 1.00 25.00 N ATOM 216 CA THR A 16 -1.777 0.143 5.653 1.00 25.00 C ATOM 217 C THR A 16 -2.098 -0.660 4.389 1.00 25.00 C ATOM 218 O THR A 16 -3.240 -0.685 3.940 1.00 25.00 O ATOM 219 CB THR A 16 -1.255 1.530 5.259 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.917 2.257 6.442 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.307 2.337 4.505 1.00 25.00 C ATOM 0 H THR A 16 0.084 -0.068 6.611 1.00 25.00 H new ATOM 0 HA THR A 16 -2.691 0.255 6.236 1.00 25.00 H new ATOM 0 HB THR A 16 -0.388 1.384 4.614 1.00 25.00 H new ATOM 0 HG1 THR A 16 -0.063 1.930 6.794 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.898 3.313 4.244 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.590 1.807 3.596 1.00 25.00 H new ATOM 0 HG23 THR A 16 -3.186 2.469 5.136 1.00 25.00 H new ATOM 229 N LEU A 17 -1.108 -1.347 3.832 1.00 25.00 N ATOM 230 CA LEU A 17 -1.337 -2.196 2.662 1.00 25.00 C ATOM 231 C LEU A 17 -2.275 -3.347 3.035 1.00 25.00 C ATOM 232 O LEU A 17 -3.172 -3.687 2.273 1.00 25.00 O ATOM 233 CB LEU A 17 -0.005 -2.752 2.131 1.00 25.00 C ATOM 234 CG LEU A 17 0.827 -1.781 1.275 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.314 -2.107 1.338 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.364 -1.808 -0.184 1.00 25.00 C ATOM 0 H LEU A 17 -0.144 -1.336 4.166 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.798 -1.596 1.877 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.600 -3.069 2.980 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.214 -3.643 1.538 1.00 25.00 H new ATOM 0 HG LEU A 17 0.673 -0.783 1.686 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.868 -1.400 0.721 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.659 -2.036 2.370 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.481 -3.119 0.968 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.967 -1.114 -0.770 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.479 -2.815 -0.584 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.684 -1.514 -0.239 1.00 25.00 H new ATOM 248 N GLN A 18 -2.110 -3.920 4.220 1.00 25.00 N ATOM 249 CA GLN A 18 -3.011 -4.980 4.678 1.00 25.00 C ATOM 250 C GLN A 18 -4.410 -4.426 4.922 1.00 25.00 C ATOM 251 O GLN A 18 -5.394 -5.082 4.625 1.00 25.00 O ATOM 252 CB GLN A 18 -2.489 -5.629 5.962 1.00 25.00 C ATOM 253 CG GLN A 18 -1.286 -6.524 5.743 1.00 25.00 C ATOM 254 CD GLN A 18 -0.783 -7.148 7.025 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.551 -7.546 7.880 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.513 -7.259 7.150 1.00 25.00 N ATOM 0 H GLN A 18 -1.370 -3.675 4.878 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.055 -5.737 3.895 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.225 -4.847 6.673 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.289 -6.214 6.415 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.549 -7.313 5.038 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.484 -5.943 5.287 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.128 -6.914 6.413 1.00 25.00 H new ATOM 0 HE22 GLN A 18 0.910 -7.691 7.985 1.00 25.00 H new ATOM 265 N PHE A 19 -4.508 -3.209 5.427 1.00 25.00 N ATOM 266 CA PHE A 19 -5.808 -2.579 5.647 1.00 25.00 C ATOM 267 C PHE A 19 -6.550 -2.330 4.327 1.00 25.00 C ATOM 268 O PHE A 19 -7.716 -2.690 4.181 1.00 25.00 O ATOM 269 CB PHE A 19 -5.621 -1.250 6.390 1.00 25.00 C ATOM 270 CG PHE A 19 -6.911 -0.524 6.659 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.696 -0.853 7.778 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.350 0.497 5.791 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.920 -0.177 8.031 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.569 1.178 6.030 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.356 0.839 7.151 1.00 25.00 C ATOM 0 H PHE A 19 -3.708 -2.635 5.693 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.410 -3.261 6.248 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.117 -1.441 7.337 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.966 -0.605 5.804 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.365 -1.628 8.453 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.750 0.763 4.934 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.515 -0.439 8.893 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -8.895 1.955 5.355 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.287 1.354 7.336 1.00 25.00 H new ATOM 285 N VAL A 20 -5.886 -1.691 3.374 1.00 25.00 N ATOM 286 CA VAL A 20 -6.537 -1.300 2.120 1.00 25.00 C ATOM 287 C VAL A 20 -6.797 -2.494 1.184 1.00 25.00 C ATOM 288 O VAL A 20 -7.774 -2.493 0.423 1.00 25.00 O ATOM 289 CB VAL A 20 -5.703 -0.170 1.407 1.00 25.00 C ATOM 290 CG1 VAL A 20 -4.445 -0.704 0.778 1.00 25.00 C ATOM 291 CG2 VAL A 20 -6.512 0.539 0.341 1.00 25.00 C ATOM 0 H VAL A 20 -4.902 -1.431 3.439 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.521 -0.903 2.371 1.00 25.00 H new ATOM 0 HB VAL A 20 -5.436 0.538 2.191 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -3.903 0.111 0.299 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -3.817 -1.155 1.546 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -4.702 -1.456 0.032 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -5.901 1.311 -0.127 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.828 -0.180 -0.414 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -7.390 0.998 0.796 1.00 25.00 H new ATOM 301 N CYS A 21 -5.947 -3.514 1.233 1.00 25.00 N ATOM 302 CA CYS A 21 -6.088 -4.665 0.336 1.00 25.00 C ATOM 303 C CYS A 21 -6.775 -5.858 0.994 1.00 25.00 C ATOM 304 O CYS A 21 -7.334 -6.711 0.307 1.00 25.00 O ATOM 305 CB CYS A 21 -4.717 -5.108 -0.168 1.00 25.00 C ATOM 306 SG CYS A 21 -3.740 -3.765 -0.917 1.00 25.00 S ATOM 0 H CYS A 21 -5.158 -3.572 1.877 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.718 -4.333 -0.489 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.155 -5.534 0.663 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.850 -5.902 -0.903 1.00 25.00 H new ATOM 311 N GLY A 22 -6.751 -5.917 2.313 1.00 25.00 N ATOM 312 CA GLY A 22 -7.341 -7.037 3.025 1.00 25.00 C ATOM 313 C GLY A 22 -6.475 -8.279 2.942 1.00 25.00 C ATOM 314 O GLY A 22 -5.310 -8.234 2.540 1.00 25.00 O ATOM 0 H GLY A 22 -6.331 -5.206 2.912 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.488 -6.766 4.071 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.326 -7.253 2.610 1.00 25.00 H new ATOM 318 N ASP A 23 -7.082 -9.412 3.259 1.00 25.00 N ATOM 319 CA ASP A 23 -6.434 -10.729 3.201 1.00 25.00 C ATOM 320 C ASP A 23 -6.205 -11.175 1.760 1.00 25.00 C ATOM 321 O ASP A 23 -5.556 -12.179 1.495 1.00 25.00 O ATOM 322 CB ASP A 23 -7.333 -11.765 3.890 1.00 25.00 C ATOM 323 CG ASP A 23 -8.659 -11.980 3.148 1.00 25.00 C ATOM 324 OD1 ASP A 23 -9.017 -13.142 2.886 1.00 25.00 O ATOM 325 OD2 ASP A 23 -9.348 -10.971 2.834 1.00 25.00 O ATOM 0 H ASP A 23 -8.053 -9.452 3.569 1.00 25.00 H new ATOM 0 HA ASP A 23 -5.470 -10.651 3.703 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -6.801 -12.714 3.959 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -7.540 -11.441 4.910 1.00 25.00 H new ATOM 330 N ARG A 24 -6.745 -10.402 0.831 1.00 25.00 N ATOM 331 CA ARG A 24 -6.671 -10.701 -0.599 1.00 25.00 C ATOM 332 C ARG A 24 -5.266 -10.466 -1.158 1.00 25.00 C ATOM 333 O ARG A 24 -4.962 -10.888 -2.268 1.00 25.00 O ATOM 334 CB ARG A 24 -7.706 -9.851 -1.339 1.00 25.00 C ATOM 335 CG ARG A 24 -9.149 -10.108 -0.836 1.00 25.00 C ATOM 336 CD ARG A 24 -10.133 -9.029 -1.267 1.00 25.00 C ATOM 337 NE ARG A 24 -9.784 -7.722 -0.684 1.00 25.00 N ATOM 338 CZ ARG A 24 -10.599 -6.684 -0.561 1.00 25.00 C ATOM 339 NH1 ARG A 24 -11.851 -6.720 -0.947 1.00 25.00 N ATOM 340 NH2 ARG A 24 -10.139 -5.587 -0.031 1.00 25.00 N ATOM 0 H ARG A 24 -7.251 -9.543 1.045 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.892 -11.758 -0.748 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -7.463 -8.796 -1.213 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -7.652 -10.066 -2.406 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.491 -11.073 -1.209 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -9.142 -10.171 0.252 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -10.140 -8.954 -2.354 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -11.141 -9.309 -0.960 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.829 -7.605 -0.344 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -12.233 -7.571 -1.361 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -12.443 -5.898 -0.834 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -9.169 -5.539 0.280 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -10.749 -4.776 0.073 1.00 25.00 H new ATOM 354 N GLY A 25 -4.403 -9.856 -0.356 1.00 25.00 N ATOM 355 CA GLY A 25 -2.998 -9.725 -0.716 1.00 25.00 C ATOM 356 C GLY A 25 -2.624 -8.416 -1.376 1.00 25.00 C ATOM 357 O GLY A 25 -3.469 -7.669 -1.867 1.00 25.00 O ATOM 0 H GLY A 25 -4.650 -9.446 0.545 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.396 -9.845 0.184 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.733 -10.541 -1.388 1.00 25.00 H new ATOM 361 N PHE A 26 -1.328 -8.142 -1.386 1.00 25.00 N ATOM 362 CA PHE A 26 -0.780 -6.919 -1.956 1.00 25.00 C ATOM 363 C PHE A 26 0.644 -7.212 -2.392 1.00 25.00 C ATOM 364 O PHE A 26 1.218 -8.227 -1.992 1.00 25.00 O ATOM 365 CB PHE A 26 -0.775 -5.801 -0.903 1.00 25.00 C ATOM 366 CG PHE A 26 0.105 -6.095 0.283 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.461 -5.717 0.282 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.418 -6.763 1.407 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.297 -6.015 1.385 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.406 -7.069 2.513 1.00 25.00 C ATOM 371 CZ PHE A 26 1.766 -6.701 2.499 1.00 25.00 C ATOM 0 H PHE A 26 -0.622 -8.766 -0.996 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.385 -6.593 -2.802 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.443 -4.874 -1.371 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.795 -5.635 -0.556 1.00 25.00 H new ATOM 0 HD1 PHE A 26 1.868 -5.193 -0.570 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.461 -7.044 1.424 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.336 -5.719 1.374 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.006 -7.584 3.368 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.401 -6.943 3.338 1.00 25.00 H new ATOM 381 N TYR A 27 1.222 -6.316 -3.175 1.00 25.00 N ATOM 382 CA TYR A 27 2.606 -6.451 -3.614 1.00 25.00 C ATOM 383 C TYR A 27 3.432 -5.273 -3.115 1.00 25.00 C ATOM 384 O TYR A 27 2.967 -4.136 -3.095 1.00 25.00 O ATOM 385 CB TYR A 27 2.662 -6.509 -5.140 1.00 25.00 C ATOM 386 CG TYR A 27 1.847 -7.642 -5.725 1.00 25.00 C ATOM 387 CD1 TYR A 27 2.197 -8.987 -5.479 1.00 25.00 C ATOM 388 CD2 TYR A 27 0.718 -7.380 -6.532 1.00 25.00 C ATOM 389 CE1 TYR A 27 1.434 -10.052 -6.031 1.00 25.00 C ATOM 390 CE2 TYR A 27 -0.038 -8.442 -7.092 1.00 25.00 C ATOM 391 CZ TYR A 27 0.327 -9.767 -6.833 1.00 25.00 C ATOM 392 OH TYR A 27 -0.399 -10.800 -7.367 1.00 25.00 O ATOM 0 H TYR A 27 0.752 -5.480 -3.523 1.00 25.00 H new ATOM 0 HA TYR A 27 3.018 -7.373 -3.202 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.302 -5.564 -5.546 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.700 -6.617 -5.455 1.00 25.00 H new ATOM 0 HD1 TYR A 27 3.056 -9.210 -4.863 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.426 -6.358 -6.725 1.00 25.00 H new ATOM 0 HE1 TYR A 27 1.709 -11.077 -5.831 1.00 25.00 H new ATOM 0 HE2 TYR A 27 -0.893 -8.228 -7.716 1.00 25.00 H new ATOM 0 HH TYR A 27 -1.138 -10.439 -7.900 1.00 25.00 H new ATOM 402 N PHE A 28 4.674 -5.537 -2.743 1.00 25.00 N ATOM 403 CA PHE A 28 5.588 -4.481 -2.322 1.00 25.00 C ATOM 404 C PHE A 28 6.568 -4.249 -3.468 1.00 25.00 C ATOM 405 O PHE A 28 6.920 -5.182 -4.179 1.00 25.00 O ATOM 406 CB PHE A 28 6.331 -4.891 -1.051 1.00 25.00 C ATOM 407 CG PHE A 28 6.650 -3.737 -0.137 1.00 25.00 C ATOM 408 CD1 PHE A 28 7.862 -3.027 -0.262 1.00 25.00 C ATOM 409 CD2 PHE A 28 5.736 -3.353 0.863 1.00 25.00 C ATOM 410 CE1 PHE A 28 8.164 -1.949 0.613 1.00 25.00 C ATOM 411 CE2 PHE A 28 6.026 -2.278 1.741 1.00 25.00 C ATOM 412 CZ PHE A 28 7.243 -1.581 1.621 1.00 25.00 C ATOM 0 H PHE A 28 5.075 -6.474 -2.723 1.00 25.00 H new ATOM 0 HA PHE A 28 5.041 -3.566 -2.095 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.728 -5.618 -0.507 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.259 -5.391 -1.328 1.00 25.00 H new ATOM 0 HD1 PHE A 28 8.568 -3.305 -1.031 1.00 25.00 H new ATOM 0 HD2 PHE A 28 4.801 -3.885 0.963 1.00 25.00 H new ATOM 0 HE1 PHE A 28 9.095 -1.412 0.508 1.00 25.00 H new ATOM 0 HE2 PHE A 28 5.314 -1.994 2.501 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.472 -0.769 2.295 1.00 25.00 H new ATOM 422 N SER A 29 6.999 -3.012 -3.656 1.00 25.00 N ATOM 423 CA SER A 29 7.902 -2.679 -4.756 1.00 25.00 C ATOM 424 C SER A 29 8.901 -1.616 -4.327 1.00 25.00 C ATOM 425 O SER A 29 8.595 -0.772 -3.475 1.00 25.00 O ATOM 426 CB SER A 29 7.095 -2.185 -5.960 1.00 25.00 C ATOM 427 OG SER A 29 7.956 -1.807 -7.022 1.00 25.00 O ATOM 0 H SER A 29 6.742 -2.221 -3.065 1.00 25.00 H new ATOM 0 HA SER A 29 8.453 -3.576 -5.037 1.00 25.00 H new ATOM 0 HB2 SER A 29 6.418 -2.970 -6.297 1.00 25.00 H new ATOM 0 HB3 SER A 29 6.478 -1.336 -5.666 1.00 25.00 H new ATOM 0 HG SER A 29 7.421 -1.496 -7.782 1.00 25.00 H new ATOM 433 N ARG A 30 10.092 -1.661 -4.913 1.00 25.00 N ATOM 434 CA ARG A 30 11.171 -0.718 -4.615 1.00 25.00 C ATOM 435 C ARG A 30 12.082 -0.638 -5.846 1.00 25.00 C ATOM 436 O ARG A 30 12.139 -1.592 -6.621 1.00 25.00 O ATOM 437 CB ARG A 30 11.947 -1.181 -3.362 1.00 25.00 C ATOM 438 CG ARG A 30 12.487 -2.625 -3.390 1.00 25.00 C ATOM 439 CD ARG A 30 13.887 -2.701 -3.971 1.00 25.00 C ATOM 440 NE ARG A 30 14.424 -4.072 -3.960 1.00 25.00 N ATOM 441 CZ ARG A 30 15.608 -4.426 -4.444 1.00 25.00 C ATOM 442 NH1 ARG A 30 16.421 -3.561 -5.002 1.00 25.00 N ATOM 443 NH2 ARG A 30 15.984 -5.673 -4.368 1.00 25.00 N ATOM 0 H ARG A 30 10.341 -2.358 -5.615 1.00 25.00 H new ATOM 0 HA ARG A 30 10.772 0.273 -4.398 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.788 -0.504 -3.210 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.293 -1.077 -2.496 1.00 25.00 H new ATOM 0 HG2 ARG A 30 12.493 -3.029 -2.378 1.00 25.00 H new ATOM 0 HG3 ARG A 30 11.816 -3.251 -3.979 1.00 25.00 H new ATOM 0 HD2 ARG A 30 13.874 -2.327 -4.995 1.00 25.00 H new ATOM 0 HD3 ARG A 30 14.550 -2.049 -3.402 1.00 25.00 H new ATOM 0 HE ARG A 30 13.843 -4.804 -3.550 1.00 25.00 H new ATOM 0 HH11 ARG A 30 16.150 -2.580 -5.075 1.00 25.00 H new ATOM 0 HH12 ARG A 30 17.324 -3.869 -5.363 1.00 25.00 H new ATOM 0 HH21 ARG A 30 15.370 -6.366 -3.940 1.00 25.00 H new ATOM 0 HH22 ARG A 30 16.892 -5.955 -4.737 1.00 25.00 H new ATOM 457 N PRO A 31 12.792 0.490 -6.043 1.00 25.00 N ATOM 458 CA PRO A 31 13.679 0.563 -7.213 1.00 25.00 C ATOM 459 C PRO A 31 14.905 -0.343 -7.077 1.00 25.00 C ATOM 460 O PRO A 31 15.337 -0.672 -5.969 1.00 25.00 O ATOM 461 CB PRO A 31 14.075 2.044 -7.248 1.00 25.00 C ATOM 462 CG PRO A 31 14.031 2.465 -5.829 1.00 25.00 C ATOM 463 CD PRO A 31 12.839 1.735 -5.254 1.00 25.00 C ATOM 0 HA PRO A 31 13.195 0.219 -8.127 1.00 25.00 H new ATOM 0 HB2 PRO A 31 15.069 2.181 -7.673 1.00 25.00 H new ATOM 0 HB3 PRO A 31 13.385 2.627 -7.858 1.00 25.00 H new ATOM 0 HG2 PRO A 31 14.950 2.198 -5.307 1.00 25.00 H new ATOM 0 HG3 PRO A 31 13.916 3.545 -5.739 1.00 25.00 H new ATOM 0 HD2 PRO A 31 12.966 1.533 -4.190 1.00 25.00 H new ATOM 0 HD3 PRO A 31 11.922 2.314 -5.361 1.00 25.00 H new ATOM 471 N ALA A 32 15.459 -0.761 -8.207 1.00 25.00 N ATOM 472 CA ALA A 32 16.582 -1.702 -8.224 1.00 25.00 C ATOM 473 C ALA A 32 17.908 -1.030 -8.612 1.00 25.00 C ATOM 474 O ALA A 32 18.850 -1.699 -9.015 1.00 25.00 O ATOM 475 CB ALA A 32 16.266 -2.857 -9.184 1.00 25.00 C ATOM 0 H ALA A 32 15.150 -0.464 -9.132 1.00 25.00 H new ATOM 0 HA ALA A 32 16.710 -2.084 -7.211 1.00 25.00 H new ATOM 0 HB1 ALA A 32 17.101 -3.558 -9.197 1.00 25.00 H new ATOM 0 HB2 ALA A 32 15.365 -3.372 -8.850 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.107 -2.463 -10.188 1.00 25.00 H new ATOM 481 N SER A 33 17.968 0.289 -8.506 1.00 25.00 N ATOM 482 CA SER A 33 19.174 1.032 -8.863 1.00 25.00 C ATOM 483 C SER A 33 19.239 2.288 -8.013 1.00 25.00 C ATOM 484 O SER A 33 18.245 2.680 -7.409 1.00 25.00 O ATOM 485 CB SER A 33 19.146 1.407 -10.349 1.00 25.00 C ATOM 486 OG SER A 33 20.361 2.027 -10.749 1.00 25.00 O ATOM 0 H SER A 33 17.197 0.870 -8.176 1.00 25.00 H new ATOM 0 HA SER A 33 20.053 0.414 -8.682 1.00 25.00 H new ATOM 0 HB2 SER A 33 18.977 0.513 -10.949 1.00 25.00 H new ATOM 0 HB3 SER A 33 18.311 2.081 -10.540 1.00 25.00 H new ATOM 0 HG SER A 33 20.315 2.253 -11.701 1.00 25.00 H new ATOM 492 N ARG A 34 20.402 2.930 -8.000 1.00 25.00 N ATOM 493 CA ARG A 34 20.609 4.183 -7.266 1.00 25.00 C ATOM 494 C ARG A 34 19.770 5.313 -7.868 1.00 25.00 C ATOM 495 O ARG A 34 19.520 6.322 -7.225 1.00 25.00 O ATOM 496 CB ARG A 34 22.091 4.547 -7.293 1.00 25.00 C ATOM 497 CG ARG A 34 22.491 5.506 -6.180 1.00 25.00 C ATOM 498 CD ARG A 34 23.998 5.593 -6.059 1.00 25.00 C ATOM 499 NE ARG A 34 24.410 6.460 -4.940 1.00 25.00 N ATOM 500 CZ ARG A 34 25.666 6.702 -4.574 1.00 25.00 C ATOM 501 NH1 ARG A 34 26.693 6.176 -5.199 1.00 25.00 N ATOM 502 NH2 ARG A 34 25.893 7.483 -3.556 1.00 25.00 N ATOM 0 H ARG A 34 21.230 2.601 -8.496 1.00 25.00 H new ATOM 0 HA ARG A 34 20.290 4.044 -6.233 1.00 25.00 H new ATOM 0 HB2 ARG A 34 22.684 3.636 -7.210 1.00 25.00 H new ATOM 0 HB3 ARG A 34 22.331 4.997 -8.256 1.00 25.00 H new ATOM 0 HG2 ARG A 34 22.080 6.495 -6.382 1.00 25.00 H new ATOM 0 HG3 ARG A 34 22.065 5.171 -5.235 1.00 25.00 H new ATOM 0 HD2 ARG A 34 24.409 4.594 -5.915 1.00 25.00 H new ATOM 0 HD3 ARG A 34 24.415 5.978 -6.989 1.00 25.00 H new ATOM 0 HE ARG A 34 23.671 6.912 -4.402 1.00 25.00 H new ATOM 0 HH11 ARG A 34 26.543 5.557 -5.996 1.00 25.00 H new ATOM 0 HH12 ARG A 34 27.641 6.386 -4.888 1.00 25.00 H new ATOM 0 HH21 ARG A 34 25.112 7.901 -3.050 1.00 25.00 H new ATOM 0 HH22 ARG A 34 26.851 7.676 -3.265 1.00 25.00 H new ATOM 516 N VAL A 35 19.323 5.115 -9.100 1.00 25.00 N ATOM 517 CA VAL A 35 18.448 6.069 -9.776 1.00 25.00 C ATOM 518 C VAL A 35 17.110 5.395 -10.100 1.00 25.00 C ATOM 519 O VAL A 35 17.064 4.265 -10.583 1.00 25.00 O ATOM 520 CB VAL A 35 19.115 6.639 -11.071 1.00 25.00 C ATOM 521 CG1 VAL A 35 20.344 7.479 -10.705 1.00 25.00 C ATOM 522 CG2 VAL A 35 19.538 5.516 -12.048 1.00 25.00 C ATOM 0 H VAL A 35 19.554 4.294 -9.659 1.00 25.00 H new ATOM 0 HA VAL A 35 18.271 6.913 -9.109 1.00 25.00 H new ATOM 0 HB VAL A 35 18.371 7.260 -11.570 1.00 25.00 H new ATOM 0 HG11 VAL A 35 20.801 7.871 -11.614 1.00 25.00 H new ATOM 0 HG12 VAL A 35 20.041 8.307 -10.065 1.00 25.00 H new ATOM 0 HG13 VAL A 35 21.066 6.857 -10.176 1.00 25.00 H new ATOM 0 HG21 VAL A 35 19.996 5.957 -12.933 1.00 25.00 H new ATOM 0 HG22 VAL A 35 20.255 4.858 -11.557 1.00 25.00 H new ATOM 0 HG23 VAL A 35 18.660 4.940 -12.343 1.00 25.00 H new ATOM 532 N SER A 36 16.020 6.092 -9.821 1.00 25.00 N ATOM 533 CA SER A 36 14.670 5.559 -10.017 1.00 25.00 C ATOM 534 C SER A 36 14.004 6.163 -11.254 1.00 25.00 C ATOM 535 O SER A 36 12.845 6.574 -11.230 1.00 25.00 O ATOM 536 CB SER A 36 13.836 5.850 -8.776 1.00 25.00 C ATOM 537 OG SER A 36 13.901 7.226 -8.441 1.00 25.00 O ATOM 0 H SER A 36 16.040 7.043 -9.452 1.00 25.00 H new ATOM 0 HA SER A 36 14.739 4.483 -10.175 1.00 25.00 H new ATOM 0 HB2 SER A 36 12.800 5.562 -8.952 1.00 25.00 H new ATOM 0 HB3 SER A 36 14.196 5.250 -7.941 1.00 25.00 H new ATOM 0 HG SER A 36 13.131 7.464 -7.884 1.00 25.00 H new ATOM 543 N ARG A 37 14.744 6.204 -12.358 1.00 25.00 N ATOM 544 CA ARG A 37 14.208 6.735 -13.623 1.00 25.00 C ATOM 545 C ARG A 37 13.087 5.847 -14.165 1.00 25.00 C ATOM 546 O ARG A 37 12.318 6.262 -15.026 1.00 25.00 O ATOM 547 CB ARG A 37 15.310 6.866 -14.682 1.00 25.00 C ATOM 548 CG ARG A 37 16.398 7.882 -14.330 1.00 25.00 C ATOM 549 CD ARG A 37 17.267 8.184 -15.555 1.00 25.00 C ATOM 550 NE ARG A 37 18.319 9.178 -15.260 1.00 25.00 N ATOM 551 CZ ARG A 37 19.623 8.927 -15.165 1.00 25.00 C ATOM 552 NH1 ARG A 37 20.127 7.726 -15.317 1.00 25.00 N ATOM 553 NH2 ARG A 37 20.440 9.912 -14.910 1.00 25.00 N ATOM 0 H ARG A 37 15.710 5.880 -12.410 1.00 25.00 H new ATOM 0 HA ARG A 37 13.804 7.724 -13.408 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.773 5.891 -14.831 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.855 7.151 -15.631 1.00 25.00 H new ATOM 0 HG2 ARG A 37 15.941 8.802 -13.966 1.00 25.00 H new ATOM 0 HG3 ARG A 37 17.019 7.493 -13.523 1.00 25.00 H new ATOM 0 HD2 ARG A 37 17.729 7.262 -15.907 1.00 25.00 H new ATOM 0 HD3 ARG A 37 16.637 8.554 -16.364 1.00 25.00 H new ATOM 0 HE ARG A 37 18.020 10.142 -15.116 1.00 25.00 H new ATOM 0 HH11 ARG A 37 19.513 6.937 -15.517 1.00 25.00 H new ATOM 0 HH12 ARG A 37 21.133 7.581 -15.235 1.00 25.00 H new ATOM 0 HH21 ARG A 37 20.077 10.857 -14.787 1.00 25.00 H new ATOM 0 HH22 ARG A 37 21.442 9.737 -14.834 1.00 25.00 H new ATOM 567 N ARG A 38 13.012 4.628 -13.649 1.00 25.00 N ATOM 568 CA ARG A 38 11.968 3.653 -13.974 1.00 25.00 C ATOM 569 C ARG A 38 11.842 2.844 -12.691 1.00 25.00 C ATOM 570 O ARG A 38 12.603 3.088 -11.761 1.00 25.00 O ATOM 571 CB ARG A 38 12.369 2.749 -15.159 1.00 25.00 C ATOM 572 CG ARG A 38 12.340 3.457 -16.517 1.00 25.00 C ATOM 573 CD ARG A 38 12.466 2.475 -17.675 1.00 25.00 C ATOM 574 NE ARG A 38 12.378 3.170 -18.973 1.00 25.00 N ATOM 575 CZ ARG A 38 12.343 2.579 -20.164 1.00 25.00 C ATOM 576 NH1 ARG A 38 12.385 1.276 -20.304 1.00 25.00 N ATOM 577 NH2 ARG A 38 12.255 3.316 -21.237 1.00 25.00 N ATOM 0 H ARG A 38 13.691 4.276 -12.974 1.00 25.00 H new ATOM 0 HA ARG A 38 11.037 4.126 -14.285 1.00 25.00 H new ATOM 0 HB2 ARG A 38 13.372 2.361 -14.984 1.00 25.00 H new ATOM 0 HB3 ARG A 38 11.697 1.891 -15.193 1.00 25.00 H new ATOM 0 HG2 ARG A 38 11.409 4.016 -16.615 1.00 25.00 H new ATOM 0 HG3 ARG A 38 13.153 4.181 -16.566 1.00 25.00 H new ATOM 0 HD2 ARG A 38 13.417 1.946 -17.606 1.00 25.00 H new ATOM 0 HD3 ARG A 38 11.678 1.725 -17.607 1.00 25.00 H new ATOM 0 HE ARG A 38 12.341 4.189 -18.956 1.00 25.00 H new ATOM 0 HH11 ARG A 38 12.447 0.676 -19.481 1.00 25.00 H new ATOM 0 HH12 ARG A 38 12.356 0.862 -21.236 1.00 25.00 H new ATOM 0 HH21 ARG A 38 12.214 4.332 -21.156 1.00 25.00 H new ATOM 0 HH22 ARG A 38 12.227 2.876 -22.157 1.00 25.00 H new ATOM 591 N SER A 39 10.926 1.881 -12.670 1.00 25.00 N ATOM 592 CA SER A 39 10.723 0.979 -11.523 1.00 25.00 C ATOM 593 C SER A 39 10.415 1.690 -10.212 1.00 25.00 C ATOM 594 O SER A 39 11.082 1.512 -9.197 1.00 25.00 O ATOM 595 CB SER A 39 11.932 0.095 -11.318 1.00 25.00 C ATOM 596 OG SER A 39 12.308 -0.544 -12.530 1.00 25.00 O ATOM 0 H SER A 39 10.295 1.697 -13.450 1.00 25.00 H new ATOM 0 HA SER A 39 9.845 0.388 -11.783 1.00 25.00 H new ATOM 0 HB2 SER A 39 12.764 0.692 -10.944 1.00 25.00 H new ATOM 0 HB3 SER A 39 11.713 -0.656 -10.559 1.00 25.00 H new ATOM 0 HG SER A 39 13.093 -1.109 -12.372 1.00 25.00 H new ATOM 602 N ARG A 40 9.346 2.458 -10.259 1.00 25.00 N ATOM 603 CA ARG A 40 8.808 3.147 -9.085 1.00 25.00 C ATOM 604 C ARG A 40 8.346 2.099 -8.085 1.00 25.00 C ATOM 605 O ARG A 40 7.758 1.087 -8.459 1.00 25.00 O ATOM 606 CB ARG A 40 7.621 4.028 -9.494 1.00 25.00 C ATOM 607 CG ARG A 40 6.916 4.768 -8.344 1.00 25.00 C ATOM 608 CD ARG A 40 7.727 5.943 -7.813 1.00 25.00 C ATOM 609 NE ARG A 40 7.601 7.122 -8.682 1.00 25.00 N ATOM 610 CZ ARG A 40 8.588 7.691 -9.364 1.00 25.00 C ATOM 611 NH1 ARG A 40 9.827 7.261 -9.318 1.00 25.00 N ATOM 612 NH2 ARG A 40 8.316 8.722 -10.114 1.00 25.00 N ATOM 0 H ARG A 40 8.817 2.628 -11.114 1.00 25.00 H new ATOM 0 HA ARG A 40 9.576 3.780 -8.641 1.00 25.00 H new ATOM 0 HB2 ARG A 40 7.971 4.765 -10.217 1.00 25.00 H new ATOM 0 HB3 ARG A 40 6.887 3.404 -10.005 1.00 25.00 H new ATOM 0 HG2 ARG A 40 5.947 5.128 -8.690 1.00 25.00 H new ATOM 0 HG3 ARG A 40 6.724 4.068 -7.531 1.00 25.00 H new ATOM 0 HD2 ARG A 40 7.390 6.194 -6.807 1.00 25.00 H new ATOM 0 HD3 ARG A 40 8.776 5.657 -7.736 1.00 25.00 H new ATOM 0 HE ARG A 40 6.674 7.539 -8.769 1.00 25.00 H new ATOM 0 HH11 ARG A 40 10.066 6.456 -8.740 1.00 25.00 H new ATOM 0 HH12 ARG A 40 10.551 7.732 -9.861 1.00 25.00 H new ATOM 0 HH21 ARG A 40 7.361 9.076 -10.168 1.00 25.00 H new ATOM 0 HH22 ARG A 40 9.058 9.175 -10.647 1.00 25.00 H new ATOM 626 N GLY A 41 8.589 2.369 -6.816 1.00 25.00 N ATOM 627 CA GLY A 41 8.170 1.469 -5.757 1.00 25.00 C ATOM 628 C GLY A 41 7.181 2.107 -4.808 1.00 25.00 C ATOM 629 O GLY A 41 7.052 3.327 -4.779 1.00 25.00 O ATOM 0 H GLY A 41 9.075 3.205 -6.493 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.722 0.579 -6.198 1.00 25.00 H new ATOM 0 HA3 GLY A 41 9.046 1.141 -5.197 1.00 25.00 H new ATOM 633 N ILE A 42 6.517 1.294 -3.996 1.00 25.00 N ATOM 634 CA ILE A 42 5.567 1.804 -3.003 1.00 25.00 C ATOM 635 C ILE A 42 6.340 2.595 -1.944 1.00 25.00 C ATOM 636 O ILE A 42 5.883 3.631 -1.481 1.00 25.00 O ATOM 637 CB ILE A 42 4.715 0.641 -2.348 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.631 1.203 -1.411 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.587 -0.327 -1.514 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.448 1.846 -2.098 1.00 25.00 C ATOM 0 H ILE A 42 6.615 0.279 -4.002 1.00 25.00 H new ATOM 0 HA ILE A 42 4.853 2.461 -3.500 1.00 25.00 H new ATOM 0 HB ILE A 42 4.264 0.103 -3.182 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.266 0.393 -0.779 1.00 25.00 H new ATOM 0 HG13 ILE A 42 4.091 1.939 -0.752 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.957 -1.107 -1.086 1.00 25.00 H new ATOM 0 HG22 ILE A 42 6.341 -0.782 -2.156 1.00 25.00 H new ATOM 0 HG23 ILE A 42 6.078 0.225 -0.712 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.745 2.208 -1.348 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.791 2.682 -2.707 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.954 1.112 -2.735 1.00 25.00 H new ATOM 652 N VAL A 43 7.549 2.155 -1.623 1.00 25.00 N ATOM 653 CA VAL A 43 8.374 2.872 -0.654 1.00 25.00 C ATOM 654 C VAL A 43 8.771 4.231 -1.234 1.00 25.00 C ATOM 655 O VAL A 43 8.872 5.216 -0.522 1.00 25.00 O ATOM 656 CB VAL A 43 9.625 2.020 -0.233 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.601 1.804 -1.408 1.00 25.00 C ATOM 658 CG2 VAL A 43 10.352 2.664 0.950 1.00 25.00 C ATOM 0 H VAL A 43 7.978 1.316 -2.012 1.00 25.00 H new ATOM 0 HA VAL A 43 7.798 3.042 0.255 1.00 25.00 H new ATOM 0 HB VAL A 43 9.255 1.041 0.072 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.451 1.210 -1.071 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.089 1.279 -2.215 1.00 25.00 H new ATOM 0 HG13 VAL A 43 10.954 2.770 -1.770 1.00 25.00 H new ATOM 0 HG21 VAL A 43 11.214 2.055 1.222 1.00 25.00 H new ATOM 0 HG22 VAL A 43 10.687 3.663 0.671 1.00 25.00 H new ATOM 0 HG23 VAL A 43 9.673 2.733 1.800 1.00 25.00 H new ATOM 668 N GLU A 44 8.937 4.308 -2.543 1.00 25.00 N ATOM 669 CA GLU A 44 9.297 5.568 -3.173 1.00 25.00 C ATOM 670 C GLU A 44 8.109 6.519 -3.172 1.00 25.00 C ATOM 671 O GLU A 44 8.259 7.718 -2.980 1.00 25.00 O ATOM 672 CB GLU A 44 9.759 5.330 -4.598 1.00 25.00 C ATOM 673 CG GLU A 44 11.051 6.030 -4.914 1.00 25.00 C ATOM 674 CD GLU A 44 11.251 6.158 -6.409 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.939 5.183 -7.134 1.00 25.00 O ATOM 676 OE2 GLU A 44 11.659 7.238 -6.882 1.00 25.00 O ATOM 0 H GLU A 44 8.830 3.523 -3.185 1.00 25.00 H new ATOM 0 HA GLU A 44 10.111 6.017 -2.604 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.881 4.259 -4.762 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.987 5.672 -5.288 1.00 25.00 H new ATOM 0 HG2 GLU A 44 11.053 7.020 -4.458 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.883 5.477 -4.479 1.00 25.00 H new ATOM 683 N GLU A 45 6.923 5.969 -3.366 1.00 25.00 N ATOM 684 CA GLU A 45 5.715 6.776 -3.373 1.00 25.00 C ATOM 685 C GLU A 45 5.319 7.260 -1.985 1.00 25.00 C ATOM 686 O GLU A 45 4.820 8.364 -1.862 1.00 25.00 O ATOM 687 CB GLU A 45 4.542 5.978 -3.954 1.00 25.00 C ATOM 688 CG GLU A 45 4.553 5.841 -5.478 1.00 25.00 C ATOM 689 CD GLU A 45 4.453 7.170 -6.197 1.00 25.00 C ATOM 690 OE1 GLU A 45 4.918 7.368 -7.292 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.819 8.091 -5.539 1.00 25.00 O ATOM 0 H GLU A 45 6.771 4.972 -3.520 1.00 25.00 H new ATOM 0 HA GLU A 45 5.937 7.646 -3.990 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.545 4.981 -3.513 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.610 6.457 -3.653 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.470 5.337 -5.784 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.722 5.206 -5.785 1.00 25.00 H new ATOM 698 N CYS A 46 5.465 6.415 -0.968 1.00 25.00 N ATOM 699 CA CYS A 46 4.941 6.732 0.365 1.00 25.00 C ATOM 700 C CYS A 46 5.964 7.155 1.418 1.00 25.00 C ATOM 701 O CYS A 46 5.592 7.786 2.399 1.00 25.00 O ATOM 702 CB CYS A 46 4.168 5.535 0.921 1.00 25.00 C ATOM 703 SG CYS A 46 2.853 4.853 -0.151 1.00 25.00 S ATOM 0 H CYS A 46 5.936 5.513 -1.036 1.00 25.00 H new ATOM 0 HA CYS A 46 4.311 7.604 0.191 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.880 4.739 1.138 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.719 5.828 1.870 1.00 25.00 H new ATOM 708 N CYS A 47 7.229 6.794 1.249 1.00 25.00 N ATOM 709 CA CYS A 47 8.254 7.128 2.246 1.00 25.00 C ATOM 710 C CYS A 47 9.134 8.275 1.752 1.00 25.00 C ATOM 711 O CYS A 47 9.413 9.211 2.487 1.00 25.00 O ATOM 712 CB CYS A 47 9.104 5.890 2.559 1.00 25.00 C ATOM 713 SG CYS A 47 10.236 6.083 3.969 1.00 25.00 S ATOM 0 H CYS A 47 7.574 6.275 0.442 1.00 25.00 H new ATOM 0 HA CYS A 47 7.759 7.453 3.161 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.439 5.050 2.757 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.687 5.633 1.675 1.00 25.00 H new ATOM 718 N PHE A 48 9.550 8.212 0.494 1.00 25.00 N ATOM 719 CA PHE A 48 10.368 9.284 -0.086 1.00 25.00 C ATOM 720 C PHE A 48 9.487 10.460 -0.522 1.00 25.00 C ATOM 721 O PHE A 48 9.969 11.581 -0.695 1.00 25.00 O ATOM 722 CB PHE A 48 11.177 8.760 -1.275 1.00 25.00 C ATOM 723 CG PHE A 48 12.290 7.820 -0.885 1.00 25.00 C ATOM 724 CD1 PHE A 48 13.580 8.314 -0.625 1.00 25.00 C ATOM 725 CD2 PHE A 48 12.061 6.436 -0.789 1.00 25.00 C ATOM 726 CE1 PHE A 48 14.635 7.434 -0.273 1.00 25.00 C ATOM 727 CE2 PHE A 48 13.103 5.546 -0.452 1.00 25.00 C ATOM 728 CZ PHE A 48 14.395 6.044 -0.193 1.00 25.00 C ATOM 0 H PHE A 48 9.341 7.443 -0.142 1.00 25.00 H new ATOM 0 HA PHE A 48 11.061 9.635 0.679 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.505 8.247 -1.963 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.601 9.606 -1.816 1.00 25.00 H new ATOM 0 HD1 PHE A 48 13.770 9.375 -0.694 1.00 25.00 H new ATOM 0 HD2 PHE A 48 11.071 6.048 -0.976 1.00 25.00 H new ATOM 0 HE1 PHE A 48 15.620 7.826 -0.066 1.00 25.00 H new ATOM 0 HE2 PHE A 48 12.910 4.485 -0.393 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.197 5.368 0.065 1.00 25.00 H new ATOM 738 N ARG A 49 8.196 10.201 -0.678 1.00 25.00 N ATOM 739 CA ARG A 49 7.192 11.232 -0.974 1.00 25.00 C ATOM 740 C ARG A 49 5.955 10.856 -0.178 1.00 25.00 C ATOM 741 O ARG A 49 5.937 9.807 0.419 1.00 25.00 O ATOM 742 CB ARG A 49 6.879 11.286 -2.475 1.00 25.00 C ATOM 743 CG ARG A 49 7.970 11.982 -3.267 1.00 25.00 C ATOM 744 CD ARG A 49 7.486 12.418 -4.640 1.00 25.00 C ATOM 745 NE ARG A 49 8.348 13.486 -5.181 1.00 25.00 N ATOM 746 CZ ARG A 49 8.209 14.787 -4.932 1.00 25.00 C ATOM 747 NH1 ARG A 49 7.252 15.261 -4.172 1.00 25.00 N ATOM 748 NH2 ARG A 49 9.054 15.630 -5.457 1.00 25.00 N ATOM 0 H ARG A 49 7.805 9.262 -0.603 1.00 25.00 H new ATOM 0 HA ARG A 49 7.555 12.223 -0.700 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.749 10.272 -2.853 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.934 11.807 -2.628 1.00 25.00 H new ATOM 0 HG2 ARG A 49 8.321 12.853 -2.713 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.821 11.311 -3.379 1.00 25.00 H new ATOM 0 HD2 ARG A 49 7.486 11.565 -5.319 1.00 25.00 H new ATOM 0 HD3 ARG A 49 6.457 12.773 -4.573 1.00 25.00 H new ATOM 0 HE ARG A 49 9.112 13.205 -5.795 1.00 25.00 H new ATOM 0 HH11 ARG A 49 6.578 14.626 -3.745 1.00 25.00 H new ATOM 0 HH12 ARG A 49 7.182 16.265 -4.007 1.00 25.00 H new ATOM 0 HH21 ARG A 49 9.811 15.291 -6.051 1.00 25.00 H new ATOM 0 HH22 ARG A 49 8.958 16.629 -5.274 1.00 25.00 H new ATOM 762 N SER A 50 4.948 11.716 -0.153 1.00 25.00 N ATOM 763 CA SER A 50 3.703 11.418 0.569 1.00 25.00 C ATOM 764 C SER A 50 2.773 10.590 -0.326 1.00 25.00 C ATOM 765 O SER A 50 2.810 10.723 -1.552 1.00 25.00 O ATOM 766 CB SER A 50 3.011 12.723 0.973 1.00 25.00 C ATOM 767 OG SER A 50 1.844 12.468 1.729 1.00 25.00 O ATOM 0 H SER A 50 4.960 12.623 -0.619 1.00 25.00 H new ATOM 0 HA SER A 50 3.937 10.847 1.468 1.00 25.00 H new ATOM 0 HB2 SER A 50 3.698 13.337 1.555 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.752 13.292 0.080 1.00 25.00 H new ATOM 0 HG SER A 50 2.095 12.181 2.632 1.00 25.00 H new ATOM 773 N CYS A 51 1.941 9.755 0.286 1.00 25.00 N ATOM 774 CA CYS A 51 1.027 8.876 -0.448 1.00 25.00 C ATOM 775 C CYS A 51 -0.437 9.243 -0.240 1.00 25.00 C ATOM 776 O CYS A 51 -0.787 9.974 0.673 1.00 25.00 O ATOM 777 CB CYS A 51 1.227 7.427 0.001 1.00 25.00 C ATOM 778 SG CYS A 51 2.118 6.417 -1.217 1.00 25.00 S ATOM 0 H CYS A 51 1.878 9.665 1.300 1.00 25.00 H new ATOM 0 HA CYS A 51 1.261 8.997 -1.506 1.00 25.00 H new ATOM 0 HB2 CYS A 51 1.776 7.418 0.942 1.00 25.00 H new ATOM 0 HB3 CYS A 51 0.254 6.976 0.195 1.00 25.00 H new ATOM 783 N ASP A 52 -1.290 8.664 -1.073 1.00 25.00 N ATOM 784 CA ASP A 52 -2.740 8.820 -0.972 1.00 25.00 C ATOM 785 C ASP A 52 -3.314 7.417 -0.928 1.00 25.00 C ATOM 786 O ASP A 52 -2.714 6.502 -1.482 1.00 25.00 O ATOM 787 CB ASP A 52 -3.284 9.569 -2.190 1.00 25.00 C ATOM 788 CG ASP A 52 -2.961 11.030 -2.152 1.00 25.00 C ATOM 789 OD1 ASP A 52 -3.397 11.783 -1.338 1.00 25.00 O ATOM 790 OD2 ASP A 52 -2.171 11.409 -3.092 1.00 25.00 O ATOM 0 H ASP A 52 -0.996 8.067 -1.846 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.013 9.394 -0.087 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -2.869 9.131 -3.098 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -4.365 9.440 -2.240 1.00 25.00 H new ATOM 795 N LEU A 53 -4.466 7.237 -0.293 1.00 25.00 N ATOM 796 CA LEU A 53 -5.059 5.901 -0.152 1.00 25.00 C ATOM 797 C LEU A 53 -5.352 5.239 -1.501 1.00 25.00 C ATOM 798 O LEU A 53 -5.043 4.074 -1.697 1.00 25.00 O ATOM 799 CB LEU A 53 -6.358 5.989 0.658 1.00 25.00 C ATOM 800 CG LEU A 53 -7.005 4.639 1.018 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.145 3.852 2.009 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.387 4.879 1.606 1.00 25.00 C ATOM 0 H LEU A 53 -5.009 7.989 0.131 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.326 5.283 0.367 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.155 6.533 1.581 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.079 6.579 0.093 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.089 4.047 0.107 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -6.632 2.905 2.241 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.167 3.659 1.569 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.023 4.431 2.924 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -8.845 3.923 1.861 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.299 5.490 2.504 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.009 5.396 0.875 1.00 25.00 H new ATOM 814 N ALA A 54 -5.919 5.992 -2.434 1.00 25.00 N ATOM 815 CA ALA A 54 -6.245 5.450 -3.753 1.00 25.00 C ATOM 816 C ALA A 54 -4.983 4.994 -4.491 1.00 25.00 C ATOM 817 O ALA A 54 -4.978 3.974 -5.154 1.00 25.00 O ATOM 818 CB ALA A 54 -6.992 6.508 -4.579 1.00 25.00 C ATOM 0 H ALA A 54 -6.163 6.974 -2.307 1.00 25.00 H new ATOM 0 HA ALA A 54 -6.886 4.579 -3.618 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.233 6.100 -5.561 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.913 6.787 -4.066 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.361 7.389 -4.697 1.00 25.00 H new ATOM 824 N LEU A 55 -3.906 5.750 -4.340 1.00 25.00 N ATOM 825 CA LEU A 55 -2.624 5.391 -4.940 1.00 25.00 C ATOM 826 C LEU A 55 -2.114 4.099 -4.306 1.00 25.00 C ATOM 827 O LEU A 55 -1.657 3.194 -4.989 1.00 25.00 O ATOM 828 CB LEU A 55 -1.621 6.529 -4.702 1.00 25.00 C ATOM 829 CG LEU A 55 -0.122 6.181 -4.684 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.377 5.672 -6.025 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.639 7.424 -4.268 1.00 25.00 C ATOM 0 H LEU A 55 -3.892 6.619 -3.806 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.743 5.237 -6.012 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.780 7.281 -5.475 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.867 6.996 -3.748 1.00 25.00 H new ATOM 0 HG LEU A 55 0.042 5.369 -3.976 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.440 5.442 -5.954 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.172 4.771 -6.299 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.221 6.437 -6.785 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.707 7.207 -4.246 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.446 8.225 -4.982 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.312 7.736 -3.276 1.00 25.00 H new ATOM 843 N LEU A 56 -2.201 4.022 -2.991 1.00 25.00 N ATOM 844 CA LEU A 56 -1.695 2.870 -2.261 1.00 25.00 C ATOM 845 C LEU A 56 -2.472 1.600 -2.638 1.00 25.00 C ATOM 846 O LEU A 56 -1.907 0.515 -2.735 1.00 25.00 O ATOM 847 CB LEU A 56 -1.799 3.175 -0.761 1.00 25.00 C ATOM 848 CG LEU A 56 -0.838 2.429 0.169 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.434 3.340 1.309 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.455 1.191 0.729 1.00 25.00 C ATOM 0 H LEU A 56 -2.618 4.744 -2.404 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.653 2.685 -2.522 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.643 4.245 -0.621 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -2.818 2.957 -0.441 1.00 25.00 H new ATOM 0 HG LEU A 56 0.033 2.137 -0.417 1.00 25.00 H new ATOM 0 HD11 LEU A 56 0.250 2.811 1.972 1.00 25.00 H new ATOM 0 HD12 LEU A 56 0.060 4.226 0.909 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.321 3.640 1.867 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -0.740 0.692 1.383 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.346 1.454 1.299 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -1.730 0.521 -0.086 1.00 25.00 H new ATOM 862 N GLU A 57 -3.753 1.771 -2.927 1.00 25.00 N ATOM 863 CA GLU A 57 -4.634 0.678 -3.347 1.00 25.00 C ATOM 864 C GLU A 57 -4.205 0.021 -4.664 1.00 25.00 C ATOM 865 O GLU A 57 -4.522 -1.134 -4.921 1.00 25.00 O ATOM 866 CB GLU A 57 -6.055 1.235 -3.510 1.00 25.00 C ATOM 867 CG GLU A 57 -7.136 0.180 -3.649 1.00 25.00 C ATOM 868 CD GLU A 57 -8.516 0.770 -3.611 1.00 25.00 C ATOM 869 OE1 GLU A 57 -8.845 1.734 -4.250 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.320 0.150 -2.802 1.00 25.00 O ATOM 0 H GLU A 57 -4.219 2.677 -2.878 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.583 -0.093 -2.578 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.286 1.862 -2.649 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.080 1.879 -4.389 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -6.998 -0.357 -4.588 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.033 -0.550 -2.846 1.00 25.00 H new ATOM 878 N THR A 58 -3.483 0.745 -5.506 1.00 25.00 N ATOM 879 CA THR A 58 -3.078 0.205 -6.807 1.00 25.00 C ATOM 880 C THR A 58 -2.049 -0.917 -6.674 1.00 25.00 C ATOM 881 O THR A 58 -1.798 -1.653 -7.621 1.00 25.00 O ATOM 882 CB THR A 58 -2.531 1.304 -7.739 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.298 1.816 -7.231 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.532 2.450 -7.846 1.00 25.00 C ATOM 0 H THR A 58 -3.166 1.697 -5.321 1.00 25.00 H new ATOM 0 HA THR A 58 -3.982 -0.212 -7.252 1.00 25.00 H new ATOM 0 HB THR A 58 -2.367 0.865 -8.723 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.469 2.332 -6.415 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.134 3.220 -8.507 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.472 2.075 -8.250 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.706 2.875 -6.857 1.00 25.00 H new ATOM 892 N TYR A 59 -1.458 -1.040 -5.492 1.00 25.00 N ATOM 893 CA TYR A 59 -0.474 -2.086 -5.223 1.00 25.00 C ATOM 894 C TYR A 59 -1.132 -3.341 -4.631 1.00 25.00 C ATOM 895 O TYR A 59 -0.439 -4.292 -4.264 1.00 25.00 O ATOM 896 CB TYR A 59 0.600 -1.548 -4.270 1.00 25.00 C ATOM 897 CG TYR A 59 1.534 -0.549 -4.931 1.00 25.00 C ATOM 898 CD1 TYR A 59 2.790 -0.960 -5.424 1.00 25.00 C ATOM 899 CD2 TYR A 59 1.168 0.809 -5.075 1.00 25.00 C ATOM 900 CE1 TYR A 59 3.669 -0.031 -6.052 1.00 25.00 C ATOM 901 CE2 TYR A 59 2.052 1.743 -5.693 1.00 25.00 C ATOM 902 CZ TYR A 59 3.292 1.311 -6.174 1.00 25.00 C ATOM 903 OH TYR A 59 4.150 2.202 -6.771 1.00 25.00 O ATOM 0 H TYR A 59 -1.643 -0.426 -4.699 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.013 -2.373 -6.168 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.116 -1.074 -3.416 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.185 -2.382 -3.882 1.00 25.00 H new ATOM 0 HD1 TYR A 59 3.089 -1.993 -5.324 1.00 25.00 H new ATOM 0 HD2 TYR A 59 0.207 1.144 -4.713 1.00 25.00 H new ATOM 0 HE1 TYR A 59 4.624 -0.362 -6.433 1.00 25.00 H new ATOM 0 HE2 TYR A 59 1.765 2.780 -5.789 1.00 25.00 H new ATOM 0 HH TYR A 59 3.742 3.093 -6.780 1.00 25.00 H new ATOM 913 N CYS A 60 -2.456 -3.365 -4.557 1.00 25.00 N ATOM 914 CA CYS A 60 -3.166 -4.555 -4.084 1.00 25.00 C ATOM 915 C CYS A 60 -3.103 -5.658 -5.134 1.00 25.00 C ATOM 916 O CYS A 60 -2.943 -5.395 -6.326 1.00 25.00 O ATOM 917 CB CYS A 60 -4.635 -4.244 -3.789 1.00 25.00 C ATOM 918 SG CYS A 60 -4.895 -3.059 -2.429 1.00 25.00 S ATOM 0 H CYS A 60 -3.059 -2.584 -4.815 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.680 -4.883 -3.165 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.099 -3.849 -4.693 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.149 -5.174 -3.548 1.00 25.00 H new ATOM 923 N ALA A 61 -3.261 -6.895 -4.692 1.00 25.00 N ATOM 924 CA ALA A 61 -3.294 -8.028 -5.598 1.00 25.00 C ATOM 925 C ALA A 61 -4.720 -8.183 -6.134 1.00 25.00 C ATOM 926 O ALA A 61 -5.674 -7.640 -5.568 1.00 25.00 O ATOM 927 CB ALA A 61 -2.841 -9.293 -4.866 1.00 25.00 C ATOM 0 H ALA A 61 -3.369 -7.139 -3.707 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.614 -7.865 -6.434 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.868 -10.140 -5.552 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.824 -9.156 -4.498 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -3.508 -9.485 -4.025 1.00 25.00 H new ATOM 933 N THR A 62 -4.867 -8.930 -7.217 1.00 25.00 N ATOM 934 CA THR A 62 -6.178 -9.180 -7.791 1.00 25.00 C ATOM 935 C THR A 62 -6.946 -10.088 -6.831 1.00 25.00 C ATOM 936 O THR A 62 -6.405 -11.088 -6.357 1.00 25.00 O ATOM 937 CB THR A 62 -6.055 -9.880 -9.150 1.00 25.00 C ATOM 938 OG1 THR A 62 -5.153 -10.984 -9.026 1.00 25.00 O ATOM 939 CG2 THR A 62 -5.496 -8.935 -10.203 1.00 25.00 C ATOM 0 H THR A 62 -4.095 -9.373 -7.715 1.00 25.00 H new ATOM 0 HA THR A 62 -6.696 -8.232 -7.939 1.00 25.00 H new ATOM 0 HB THR A 62 -7.048 -10.211 -9.454 1.00 25.00 H new ATOM 0 HG1 THR A 62 -5.270 -11.405 -8.149 1.00 25.00 H new ATOM 0 HG21 THR A 62 -5.419 -9.457 -11.157 1.00 25.00 H new ATOM 0 HG22 THR A 62 -6.160 -8.077 -10.311 1.00 25.00 H new ATOM 0 HG23 THR A 62 -4.508 -8.592 -9.897 1.00 25.00 H new ATOM 947 N PRO A 63 -8.201 -9.738 -6.506 1.00 25.00 N ATOM 948 CA PRO A 63 -8.925 -10.533 -5.508 1.00 25.00 C ATOM 949 C PRO A 63 -9.377 -11.909 -5.978 1.00 25.00 C ATOM 950 O PRO A 63 -9.599 -12.150 -7.166 1.00 25.00 O ATOM 951 CB PRO A 63 -10.133 -9.654 -5.194 1.00 25.00 C ATOM 952 CG PRO A 63 -10.383 -8.916 -6.456 1.00 25.00 C ATOM 953 CD PRO A 63 -9.005 -8.593 -6.968 1.00 25.00 C ATOM 0 HA PRO A 63 -8.281 -10.765 -4.660 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -10.997 -10.253 -4.905 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -9.926 -8.973 -4.368 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -10.942 -9.522 -7.169 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -10.966 -8.012 -6.281 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.990 -8.501 -8.054 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.635 -7.651 -6.563 1.00 25.00 H new ATOM 961 N ALA A 64 -9.549 -12.799 -5.012 1.00 25.00 N ATOM 962 CA ALA A 64 -10.052 -14.143 -5.272 1.00 25.00 C ATOM 963 C ALA A 64 -11.561 -14.073 -5.560 1.00 25.00 C ATOM 964 O ALA A 64 -12.221 -13.081 -5.244 1.00 25.00 O ATOM 965 CB ALA A 64 -9.774 -15.042 -4.056 1.00 25.00 C ATOM 0 H ALA A 64 -9.346 -12.613 -4.030 1.00 25.00 H new ATOM 0 HA ALA A 64 -9.547 -14.567 -6.140 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -10.151 -16.046 -4.252 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -8.700 -15.086 -3.874 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -10.274 -14.632 -3.178 1.00 25.00 H new ATOM 971 N LYS A 65 -12.110 -15.142 -6.128 1.00 25.00 N ATOM 972 CA LYS A 65 -13.546 -15.209 -6.442 1.00 25.00 C ATOM 973 C LYS A 65 -14.383 -15.567 -5.215 1.00 25.00 C ATOM 974 O LYS A 65 -15.005 -16.623 -5.160 1.00 25.00 O ATOM 975 CB LYS A 65 -13.816 -16.225 -7.556 1.00 25.00 C ATOM 976 CG LYS A 65 -13.242 -15.825 -8.907 1.00 25.00 C ATOM 977 CD LYS A 65 -13.691 -16.808 -9.981 1.00 25.00 C ATOM 978 CE LYS A 65 -13.174 -16.402 -11.353 1.00 25.00 C ATOM 979 NZ LYS A 65 -13.672 -17.341 -12.418 1.00 25.00 N ATOM 0 H LYS A 65 -11.587 -15.979 -6.383 1.00 25.00 H new ATOM 0 HA LYS A 65 -13.840 -14.215 -6.779 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -13.397 -17.188 -7.265 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -14.893 -16.363 -7.656 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -13.569 -14.818 -9.166 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -12.153 -15.803 -8.856 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -13.331 -17.807 -9.736 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -14.780 -16.857 -10.000 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -13.496 -15.386 -11.580 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -12.084 -16.398 -11.348 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -13.305 -17.042 -13.344 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -13.344 -18.306 -12.211 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -14.712 -17.325 -12.436 1.00 25.00 H new ATOM 993 N SER A 66 -14.409 -14.675 -4.241 1.00 25.00 N ATOM 994 CA SER A 66 -15.179 -14.880 -3.014 1.00 25.00 C ATOM 995 C SER A 66 -16.577 -14.266 -3.132 1.00 25.00 C ATOM 996 O SER A 66 -16.946 -13.355 -2.397 1.00 25.00 O ATOM 997 CB SER A 66 -14.432 -14.254 -1.837 1.00 25.00 C ATOM 998 OG SER A 66 -13.104 -14.753 -1.782 1.00 25.00 O ATOM 0 H SER A 66 -13.902 -13.791 -4.272 1.00 25.00 H new ATOM 0 HA SER A 66 -15.294 -15.951 -2.850 1.00 25.00 H new ATOM 0 HB2 SER A 66 -14.417 -13.169 -1.941 1.00 25.00 H new ATOM 0 HB3 SER A 66 -14.952 -14.478 -0.906 1.00 25.00 H new ATOM 0 HG SER A 66 -12.632 -14.345 -1.026 1.00 25.00 H new ATOM 1004 N GLU A 67 -17.369 -14.766 -4.087 1.00 25.00 N ATOM 1005 CA GLU A 67 -18.742 -14.278 -4.324 1.00 25.00 C ATOM 1006 C GLU A 67 -19.633 -15.369 -4.919 1.00 25.00 C ATOM 1007 O GLU A 67 -20.761 -15.517 -4.308 1.00 25.00 O ATOM 1008 CB GLU A 67 -18.748 -13.014 -5.222 1.00 25.00 C ATOM 1009 CG GLU A 67 -20.142 -12.350 -5.244 1.00 25.00 C ATOM 1010 CD GLU A 67 -20.142 -11.117 -6.111 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -19.860 -11.098 -7.286 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -20.489 -10.046 -5.486 1.00 25.00 O ATOM 0 H GLU A 67 -17.083 -15.516 -4.717 1.00 25.00 H new ATOM 0 HA GLU A 67 -19.155 -14.003 -3.353 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -18.009 -12.301 -4.856 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -18.455 -13.284 -6.237 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -20.881 -13.060 -5.616 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -20.438 -12.085 -4.229 1.00 25.00 H new TER 1019 GLU A 67