USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 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 157:sc= 0.748 USER MOD Single : A 16 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 18 GLN : amide:sc= -0.757 K(o=-0.76,f=-0.21) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -124:sc= 1.64 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -160:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.23 USER MOD Single : A 59 TYR OH : rot 20:sc= 1.05 USER MOD Single : A 62 THR OG1 : rot -33:sc= 0.47 USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 0.782 (180deg=0.752) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.547 16.057 21.264 1.00 25.00 N ATOM 2 CA ALA A 1 11.971 15.319 20.121 1.00 25.00 C ATOM 3 C ALA A 1 12.874 15.265 18.888 1.00 25.00 C ATOM 4 O ALA A 1 13.578 16.192 18.535 1.00 25.00 O ATOM 5 CB ALA A 1 10.623 15.964 19.764 1.00 25.00 C ATOM 0 H1 ALA A 1 11.875 16.047 22.058 1.00 25.00 H new ATOM 0 H2 ALA A 1 13.436 15.604 21.558 1.00 25.00 H new ATOM 0 H3 ALA A 1 12.736 17.040 20.983 1.00 25.00 H new ATOM 0 HA ALA A 1 11.850 14.281 20.432 1.00 25.00 H new ATOM 0 HB1 ALA A 1 10.178 15.435 18.921 1.00 25.00 H new ATOM 0 HB2 ALA A 1 9.954 15.907 20.622 1.00 25.00 H new ATOM 0 HB3 ALA A 1 10.779 17.009 19.495 1.00 25.00 H new ATOM 10 N TYR A 2 12.837 14.123 18.198 1.00 25.00 N ATOM 11 CA TYR A 2 13.593 13.951 16.960 1.00 25.00 C ATOM 12 C TYR A 2 12.754 14.482 15.794 1.00 25.00 C ATOM 13 O TYR A 2 11.576 14.798 15.960 1.00 25.00 O ATOM 14 CB TYR A 2 13.955 12.473 16.756 1.00 25.00 C ATOM 15 CG TYR A 2 14.935 12.255 15.617 1.00 25.00 C ATOM 16 CD1 TYR A 2 16.262 12.718 15.710 1.00 25.00 C ATOM 17 CD2 TYR A 2 14.529 11.613 14.425 1.00 25.00 C ATOM 18 CE1 TYR A 2 17.168 12.557 14.629 1.00 25.00 C ATOM 19 CE2 TYR A 2 15.434 11.449 13.343 1.00 25.00 C ATOM 20 CZ TYR A 2 16.742 11.926 13.456 1.00 25.00 C ATOM 21 OH TYR A 2 17.612 11.785 12.407 1.00 25.00 O ATOM 0 H TYR A 2 12.292 13.307 18.476 1.00 25.00 H new ATOM 0 HA TYR A 2 14.526 14.512 17.013 1.00 25.00 H new ATOM 0 HB2 TYR A 2 14.384 12.079 17.677 1.00 25.00 H new ATOM 0 HB3 TYR A 2 13.045 11.905 16.559 1.00 25.00 H new ATOM 0 HD1 TYR A 2 16.595 13.202 16.616 1.00 25.00 H new ATOM 0 HD2 TYR A 2 13.518 11.243 14.336 1.00 25.00 H new ATOM 0 HE1 TYR A 2 18.182 12.920 14.712 1.00 25.00 H new ATOM 0 HE2 TYR A 2 15.112 10.958 12.437 1.00 25.00 H new ATOM 0 HH TYR A 2 17.162 11.325 11.668 1.00 25.00 H new ATOM 31 N ARG A 3 13.352 14.562 14.610 1.00 25.00 N ATOM 32 CA ARG A 3 12.643 15.011 13.410 1.00 25.00 C ATOM 33 C ARG A 3 11.444 14.092 13.155 1.00 25.00 C ATOM 34 O ARG A 3 11.522 12.885 13.390 1.00 25.00 O ATOM 35 CB ARG A 3 13.564 14.969 12.191 1.00 25.00 C ATOM 36 CG ARG A 3 14.822 15.819 12.319 1.00 25.00 C ATOM 37 CD ARG A 3 15.632 15.766 11.026 1.00 25.00 C ATOM 38 NE ARG A 3 16.848 16.596 11.107 1.00 25.00 N ATOM 39 CZ ARG A 3 18.048 16.178 11.498 1.00 25.00 C ATOM 40 NH1 ARG A 3 18.285 14.941 11.866 1.00 25.00 N ATOM 41 NH2 ARG A 3 19.039 17.026 11.511 1.00 25.00 N ATOM 0 H ARG A 3 14.331 14.321 14.452 1.00 25.00 H new ATOM 0 HA ARG A 3 12.309 16.036 13.569 1.00 25.00 H new ATOM 0 HB2 ARG A 3 13.857 13.935 12.008 1.00 25.00 H new ATOM 0 HB3 ARG A 3 13.004 15.301 11.317 1.00 25.00 H new ATOM 0 HG2 ARG A 3 14.551 16.850 12.544 1.00 25.00 H new ATOM 0 HG3 ARG A 3 15.428 15.460 13.151 1.00 25.00 H new ATOM 0 HD2 ARG A 3 15.910 14.734 10.813 1.00 25.00 H new ATOM 0 HD3 ARG A 3 15.014 16.107 10.196 1.00 25.00 H new ATOM 0 HE ARG A 3 16.761 17.576 10.840 1.00 25.00 H new ATOM 0 HH11 ARG A 3 17.531 14.254 11.860 1.00 25.00 H new ATOM 0 HH12 ARG A 3 19.223 14.667 12.158 1.00 25.00 H new ATOM 0 HH21 ARG A 3 18.887 17.993 11.224 1.00 25.00 H new ATOM 0 HH22 ARG A 3 19.966 16.722 11.808 1.00 25.00 H new ATOM 55 N PRO A 4 10.323 14.653 12.666 1.00 25.00 N ATOM 56 CA PRO A 4 9.129 13.824 12.467 1.00 25.00 C ATOM 57 C PRO A 4 9.194 12.967 11.204 1.00 25.00 C ATOM 58 O PRO A 4 9.966 13.240 10.287 1.00 25.00 O ATOM 59 CB PRO A 4 8.016 14.868 12.360 1.00 25.00 C ATOM 60 CG PRO A 4 8.674 16.031 11.716 1.00 25.00 C ATOM 61 CD PRO A 4 10.070 16.059 12.297 1.00 25.00 C ATOM 0 HA PRO A 4 8.993 13.100 13.270 1.00 25.00 H new ATOM 0 HB2 PRO A 4 7.181 14.501 11.763 1.00 25.00 H new ATOM 0 HB3 PRO A 4 7.617 15.128 13.341 1.00 25.00 H new ATOM 0 HG2 PRO A 4 8.699 15.920 10.632 1.00 25.00 H new ATOM 0 HG3 PRO A 4 8.139 16.956 11.929 1.00 25.00 H new ATOM 0 HD2 PRO A 4 10.799 16.420 11.571 1.00 25.00 H new ATOM 0 HD3 PRO A 4 10.130 16.718 13.163 1.00 25.00 H new ATOM 69 N SER A 5 8.330 11.962 11.146 1.00 25.00 N ATOM 70 CA SER A 5 8.205 11.096 9.973 1.00 25.00 C ATOM 71 C SER A 5 6.772 11.190 9.478 1.00 25.00 C ATOM 72 O SER A 5 5.924 10.395 9.847 1.00 25.00 O ATOM 73 CB SER A 5 8.551 9.643 10.322 1.00 25.00 C ATOM 74 OG SER A 5 8.446 8.811 9.177 1.00 25.00 O ATOM 0 H SER A 5 7.696 11.722 11.908 1.00 25.00 H new ATOM 0 HA SER A 5 8.901 11.419 9.199 1.00 25.00 H new ATOM 0 HB2 SER A 5 9.563 9.592 10.723 1.00 25.00 H new ATOM 0 HB3 SER A 5 7.881 9.282 11.102 1.00 25.00 H new ATOM 0 HG SER A 5 8.672 7.889 9.421 1.00 25.00 H new ATOM 80 N GLU A 6 6.493 12.208 8.677 1.00 25.00 N ATOM 81 CA GLU A 6 5.133 12.438 8.179 1.00 25.00 C ATOM 82 C GLU A 6 4.780 11.502 7.024 1.00 25.00 C ATOM 83 O GLU A 6 3.637 11.438 6.592 1.00 25.00 O ATOM 84 CB GLU A 6 4.980 13.893 7.725 1.00 25.00 C ATOM 85 CG GLU A 6 5.741 14.254 6.446 1.00 25.00 C ATOM 86 CD GLU A 6 5.565 15.696 6.063 1.00 25.00 C ATOM 87 OE1 GLU A 6 5.477 16.587 6.858 1.00 25.00 O ATOM 88 OE2 GLU A 6 5.531 15.885 4.781 1.00 25.00 O ATOM 0 H GLU A 6 7.182 12.888 8.356 1.00 25.00 H new ATOM 0 HA GLU A 6 4.446 12.230 9.000 1.00 25.00 H new ATOM 0 HB2 GLU A 6 3.921 14.101 7.571 1.00 25.00 H new ATOM 0 HB3 GLU A 6 5.319 14.546 8.529 1.00 25.00 H new ATOM 0 HG2 GLU A 6 6.802 14.045 6.586 1.00 25.00 H new ATOM 0 HG3 GLU A 6 5.396 13.619 5.630 1.00 25.00 H new ATOM 96 N THR A 7 5.783 10.817 6.504 1.00 25.00 N ATOM 97 CA THR A 7 5.585 9.892 5.395 1.00 25.00 C ATOM 98 C THR A 7 5.376 8.491 5.954 1.00 25.00 C ATOM 99 O THR A 7 5.855 8.157 7.041 1.00 25.00 O ATOM 100 CB THR A 7 6.791 9.906 4.441 1.00 25.00 C ATOM 101 OG1 THR A 7 7.989 9.660 5.177 1.00 25.00 O ATOM 102 CG2 THR A 7 6.936 11.262 3.768 1.00 25.00 C ATOM 0 H THR A 7 6.747 10.882 6.831 1.00 25.00 H new ATOM 0 HA THR A 7 4.708 10.202 4.826 1.00 25.00 H new ATOM 0 HB THR A 7 6.628 9.135 3.688 1.00 25.00 H new ATOM 0 HG1 THR A 7 8.675 9.303 4.575 1.00 25.00 H new ATOM 0 HG21 THR A 7 7.796 11.246 3.099 1.00 25.00 H new ATOM 0 HG22 THR A 7 6.035 11.482 3.196 1.00 25.00 H new ATOM 0 HG23 THR A 7 7.081 12.031 4.527 1.00 25.00 H new ATOM 110 N LEU A 8 4.625 7.682 5.223 1.00 25.00 N ATOM 111 CA LEU A 8 4.263 6.342 5.668 1.00 25.00 C ATOM 112 C LEU A 8 5.392 5.347 5.410 1.00 25.00 C ATOM 113 O LEU A 8 5.653 4.926 4.279 1.00 25.00 O ATOM 114 CB LEU A 8 2.997 5.905 4.948 1.00 25.00 C ATOM 115 CG LEU A 8 2.377 4.593 5.408 1.00 25.00 C ATOM 116 CD1 LEU A 8 1.820 4.701 6.825 1.00 25.00 C ATOM 117 CD2 LEU A 8 1.272 4.235 4.444 1.00 25.00 C ATOM 0 H LEU A 8 4.250 7.933 4.308 1.00 25.00 H new ATOM 0 HA LEU A 8 4.087 6.364 6.743 1.00 25.00 H new ATOM 0 HB2 LEU A 8 2.252 6.693 5.058 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.219 5.824 3.884 1.00 25.00 H new ATOM 0 HG LEU A 8 3.144 3.819 5.422 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.386 3.746 7.119 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.624 4.961 7.513 1.00 25.00 H new ATOM 0 HD13 LEU A 8 1.052 5.474 6.856 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.810 3.297 4.752 1.00 25.00 H new ATOM 0 HD22 LEU A 8 0.521 5.025 4.442 1.00 25.00 H new ATOM 0 HD23 LEU A 8 1.685 4.124 3.442 1.00 25.00 H new ATOM 129 N CYS A 9 6.082 5.002 6.476 1.00 25.00 N ATOM 130 CA CYS A 9 7.276 4.177 6.387 1.00 25.00 C ATOM 131 C CYS A 9 7.482 3.410 7.694 1.00 25.00 C ATOM 132 O CYS A 9 6.568 3.304 8.494 1.00 25.00 O ATOM 133 CB CYS A 9 8.481 5.078 6.100 1.00 25.00 C ATOM 134 SG CYS A 9 9.772 4.265 5.107 1.00 25.00 S ATOM 0 H CYS A 9 5.836 5.282 7.426 1.00 25.00 H new ATOM 0 HA CYS A 9 7.165 3.453 5.580 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.140 5.972 5.578 1.00 25.00 H new ATOM 0 HB3 CYS A 9 8.913 5.406 7.045 1.00 25.00 H new ATOM 139 N GLY A 10 8.679 2.874 7.899 1.00 25.00 N ATOM 140 CA GLY A 10 9.010 2.219 9.159 1.00 25.00 C ATOM 141 C GLY A 10 8.177 0.997 9.503 1.00 25.00 C ATOM 142 O GLY A 10 8.049 0.641 10.657 1.00 25.00 O ATOM 0 H GLY A 10 9.434 2.880 7.213 1.00 25.00 H new ATOM 0 HA2 GLY A 10 10.059 1.925 9.130 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.905 2.946 9.964 1.00 25.00 H new ATOM 146 N GLY A 11 7.592 0.368 8.492 1.00 25.00 N ATOM 147 CA GLY A 11 6.739 -0.794 8.715 1.00 25.00 C ATOM 148 C GLY A 11 5.264 -0.451 8.699 1.00 25.00 C ATOM 149 O GLY A 11 4.460 -1.272 8.294 1.00 25.00 O ATOM 0 H GLY A 11 7.691 0.640 7.514 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.942 -1.541 7.947 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.992 -1.246 9.674 1.00 25.00 H new ATOM 153 N GLU A 12 4.915 0.788 9.030 1.00 25.00 N ATOM 154 CA GLU A 12 3.514 1.242 9.009 1.00 25.00 C ATOM 155 C GLU A 12 2.933 1.109 7.605 1.00 25.00 C ATOM 156 O GLU A 12 1.741 0.893 7.417 1.00 25.00 O ATOM 157 CB GLU A 12 3.426 2.708 9.439 1.00 25.00 C ATOM 158 CG GLU A 12 3.984 2.996 10.826 1.00 25.00 C ATOM 159 CD GLU A 12 4.060 4.468 11.110 1.00 25.00 C ATOM 160 OE1 GLU A 12 4.717 5.233 10.462 1.00 25.00 O ATOM 161 OE2 GLU A 12 3.331 4.837 12.116 1.00 25.00 O ATOM 0 H GLU A 12 5.581 1.505 9.318 1.00 25.00 H new ATOM 0 HA GLU A 12 2.947 0.620 9.701 1.00 25.00 H new ATOM 0 HB2 GLU A 12 3.961 3.319 8.712 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.382 3.020 9.410 1.00 25.00 H new ATOM 0 HG2 GLU A 12 3.356 2.515 11.576 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.978 2.558 10.914 1.00 25.00 H new ATOM 168 N LEU A 13 3.805 1.212 6.615 1.00 25.00 N ATOM 169 CA LEU A 13 3.424 1.039 5.217 1.00 25.00 C ATOM 170 C LEU A 13 2.865 -0.364 4.964 1.00 25.00 C ATOM 171 O LEU A 13 1.897 -0.533 4.236 1.00 25.00 O ATOM 172 CB LEU A 13 4.655 1.277 4.333 1.00 25.00 C ATOM 173 CG LEU A 13 4.477 1.127 2.812 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.328 1.963 2.285 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.777 1.544 2.122 1.00 25.00 C ATOM 0 H LEU A 13 4.794 1.417 6.754 1.00 25.00 H new ATOM 0 HA LEU A 13 2.642 1.758 4.975 1.00 25.00 H new ATOM 0 HB2 LEU A 13 5.022 2.284 4.531 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.436 0.586 4.650 1.00 25.00 H new ATOM 0 HG LEU A 13 4.242 0.084 2.597 1.00 25.00 H new ATOM 0 HD11 LEU A 13 3.242 1.824 1.207 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.401 1.652 2.766 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.514 3.015 2.502 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.665 1.442 1.043 1.00 25.00 H new ATOM 0 HD22 LEU A 13 6.002 2.582 2.367 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.591 0.905 2.464 1.00 25.00 H new ATOM 187 N VAL A 14 3.479 -1.364 5.579 1.00 25.00 N ATOM 188 CA VAL A 14 3.062 -2.758 5.418 1.00 25.00 C ATOM 189 C VAL A 14 1.715 -2.955 6.101 1.00 25.00 C ATOM 190 O VAL A 14 0.830 -3.613 5.564 1.00 25.00 O ATOM 191 CB VAL A 14 4.111 -3.731 6.057 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.688 -5.189 5.923 1.00 25.00 C ATOM 193 CG2 VAL A 14 5.482 -3.550 5.387 1.00 25.00 C ATOM 0 H VAL A 14 4.277 -1.238 6.202 1.00 25.00 H new ATOM 0 HA VAL A 14 2.985 -2.980 4.354 1.00 25.00 H new ATOM 0 HB VAL A 14 4.173 -3.483 7.117 1.00 25.00 H new ATOM 0 HG11 VAL A 14 4.443 -5.830 6.379 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.733 -5.338 6.426 1.00 25.00 H new ATOM 0 HG13 VAL A 14 3.586 -5.443 4.868 1.00 25.00 H new ATOM 0 HG21 VAL A 14 6.201 -4.232 5.840 1.00 25.00 H new ATOM 0 HG22 VAL A 14 5.398 -3.767 4.322 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.820 -2.523 5.523 1.00 25.00 H new ATOM 203 N ASP A 15 1.559 -2.359 7.271 1.00 25.00 N ATOM 204 CA ASP A 15 0.318 -2.482 8.037 1.00 25.00 C ATOM 205 C ASP A 15 -0.837 -1.847 7.263 1.00 25.00 C ATOM 206 O ASP A 15 -1.939 -2.388 7.179 1.00 25.00 O ATOM 207 CB ASP A 15 0.478 -1.781 9.390 1.00 25.00 C ATOM 208 CG ASP A 15 1.672 -2.299 10.180 1.00 25.00 C ATOM 209 OD1 ASP A 15 2.390 -1.459 10.769 1.00 25.00 O ATOM 210 OD2 ASP A 15 1.934 -3.520 10.159 1.00 25.00 O ATOM 0 H ASP A 15 2.274 -1.783 7.716 1.00 25.00 H new ATOM 0 HA ASP A 15 0.101 -3.538 8.199 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.591 -0.709 9.228 1.00 25.00 H new ATOM 0 HB3 ASP A 15 -0.430 -1.921 9.977 1.00 25.00 H new ATOM 215 N THR A 16 -0.560 -0.710 6.650 1.00 25.00 N ATOM 216 CA THR A 16 -1.554 -0.013 5.843 1.00 25.00 C ATOM 217 C THR A 16 -1.899 -0.827 4.604 1.00 25.00 C ATOM 218 O THR A 16 -3.060 -0.930 4.230 1.00 25.00 O ATOM 219 CB THR A 16 -1.038 1.367 5.410 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.638 2.102 6.567 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.110 2.170 4.688 1.00 25.00 C ATOM 0 H THR A 16 0.347 -0.246 6.694 1.00 25.00 H new ATOM 0 HA THR A 16 -2.447 0.116 6.455 1.00 25.00 H new ATOM 0 HB THR A 16 -0.201 1.209 4.730 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.204 1.737 6.911 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.705 3.140 4.398 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.431 1.630 3.797 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.963 2.316 5.351 1.00 25.00 H new ATOM 229 N LEU A 17 -0.904 -1.443 3.987 1.00 25.00 N ATOM 230 CA LEU A 17 -1.143 -2.283 2.816 1.00 25.00 C ATOM 231 C LEU A 17 -2.033 -3.473 3.185 1.00 25.00 C ATOM 232 O LEU A 17 -2.930 -3.826 2.428 1.00 25.00 O ATOM 233 CB LEU A 17 0.188 -2.765 2.230 1.00 25.00 C ATOM 234 CG LEU A 17 0.872 -1.781 1.267 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.369 -2.023 1.212 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.295 -1.909 -0.145 1.00 25.00 C ATOM 0 H LEU A 17 0.073 -1.380 4.272 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.659 -1.691 2.060 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.872 -2.980 3.051 1.00 25.00 H new ATOM 0 HB3 LEU A 17 0.017 -3.704 1.704 1.00 25.00 H new ATOM 0 HG LEU A 17 0.685 -0.776 1.645 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.827 -1.313 0.523 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.796 -1.891 2.206 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.561 -3.039 0.867 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.795 -1.203 -0.808 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.451 -2.924 -0.511 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.773 -1.692 -0.123 1.00 25.00 H new ATOM 248 N GLN A 18 -1.850 -4.045 4.367 1.00 25.00 N ATOM 249 CA GLN A 18 -2.732 -5.124 4.828 1.00 25.00 C ATOM 250 C GLN A 18 -4.165 -4.611 4.960 1.00 25.00 C ATOM 251 O GLN A 18 -5.108 -5.266 4.529 1.00 25.00 O ATOM 252 CB GLN A 18 -2.291 -5.659 6.198 1.00 25.00 C ATOM 253 CG GLN A 18 -1.005 -6.449 6.184 1.00 25.00 C ATOM 254 CD GLN A 18 -0.523 -6.769 7.578 1.00 25.00 C ATOM 255 OE1 GLN A 18 -1.303 -7.057 8.469 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.762 -6.720 7.767 1.00 25.00 N ATOM 0 H GLN A 18 -1.111 -3.789 5.021 1.00 25.00 H new ATOM 0 HA GLN A 18 -2.677 -5.925 4.091 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.177 -4.818 6.882 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.084 -6.290 6.599 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.155 -7.376 5.631 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.238 -5.883 5.656 1.00 25.00 H new ATOM 0 HE21 GLN A 18 1.382 -6.475 6.995 1.00 25.00 H new ATOM 0 HE22 GLN A 18 1.150 -6.927 8.687 1.00 25.00 H new ATOM 265 N PHE A 19 -4.329 -3.444 5.564 1.00 25.00 N ATOM 266 CA PHE A 19 -5.658 -2.893 5.804 1.00 25.00 C ATOM 267 C PHE A 19 -6.392 -2.509 4.515 1.00 25.00 C ATOM 268 O PHE A 19 -7.569 -2.812 4.345 1.00 25.00 O ATOM 269 CB PHE A 19 -5.539 -1.668 6.715 1.00 25.00 C ATOM 270 CG PHE A 19 -6.858 -1.200 7.267 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.604 -0.206 6.604 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.361 -1.752 8.461 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.851 0.227 7.121 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.607 -1.328 8.987 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.353 -0.336 8.314 1.00 25.00 C ATOM 0 H PHE A 19 -3.562 -2.860 5.897 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.250 -3.674 6.281 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -4.871 -1.905 7.543 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -5.078 -0.853 6.157 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.222 0.231 5.693 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.791 -2.507 8.982 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.416 0.987 6.602 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -8.985 -1.763 9.901 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.303 -0.010 8.710 1.00 25.00 H new ATOM 285 N VAL A 20 -5.700 -1.829 3.609 1.00 25.00 N ATOM 286 CA VAL A 20 -6.311 -1.355 2.362 1.00 25.00 C ATOM 287 C VAL A 20 -6.647 -2.522 1.426 1.00 25.00 C ATOM 288 O VAL A 20 -7.673 -2.509 0.741 1.00 25.00 O ATOM 289 CB VAL A 20 -5.357 -0.343 1.631 1.00 25.00 C ATOM 290 CG1 VAL A 20 -5.900 0.062 0.257 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.179 0.931 2.476 1.00 25.00 C ATOM 0 H VAL A 20 -4.713 -1.590 3.710 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.240 -0.847 2.623 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.401 -0.849 1.498 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.211 0.762 -0.215 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.002 -0.824 -0.369 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -6.874 0.536 0.376 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.516 1.622 1.957 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.149 1.405 2.629 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -4.746 0.670 3.442 1.00 25.00 H new ATOM 301 N CYS A 21 -5.786 -3.523 1.370 1.00 25.00 N ATOM 302 CA CYS A 21 -5.986 -4.627 0.435 1.00 25.00 C ATOM 303 C CYS A 21 -6.846 -5.756 0.998 1.00 25.00 C ATOM 304 O CYS A 21 -7.491 -6.491 0.237 1.00 25.00 O ATOM 305 CB CYS A 21 -4.633 -5.151 -0.010 1.00 25.00 C ATOM 306 SG CYS A 21 -3.566 -3.816 -0.652 1.00 25.00 S ATOM 0 H CYS A 21 -4.951 -3.599 1.951 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.540 -4.235 -0.418 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -4.138 -5.639 0.830 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.772 -5.908 -0.782 1.00 25.00 H new ATOM 311 N GLY A 22 -6.886 -5.876 2.317 1.00 25.00 N ATOM 312 CA GLY A 22 -7.716 -6.878 2.960 1.00 25.00 C ATOM 313 C GLY A 22 -7.215 -8.295 2.773 1.00 25.00 C ATOM 314 O GLY A 22 -6.012 -8.554 2.717 1.00 25.00 O ATOM 0 H GLY A 22 -6.353 -5.291 2.961 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.773 -6.660 4.026 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.729 -6.805 2.565 1.00 25.00 H new ATOM 318 N ASP A 23 -8.159 -9.218 2.646 1.00 25.00 N ATOM 319 CA ASP A 23 -7.878 -10.653 2.497 1.00 25.00 C ATOM 320 C ASP A 23 -7.153 -10.990 1.198 1.00 25.00 C ATOM 321 O ASP A 23 -6.690 -12.104 0.998 1.00 25.00 O ATOM 322 CB ASP A 23 -9.205 -11.426 2.499 1.00 25.00 C ATOM 323 CG ASP A 23 -10.039 -11.175 1.237 1.00 25.00 C ATOM 324 OD1 ASP A 23 -10.315 -12.138 0.495 1.00 25.00 O ATOM 325 OD2 ASP A 23 -10.442 -10.010 0.992 1.00 25.00 O ATOM 0 H ASP A 23 -9.155 -8.996 2.643 1.00 25.00 H new ATOM 0 HA ASP A 23 -7.233 -10.933 3.330 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -8.999 -12.493 2.587 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -9.786 -11.140 3.376 1.00 25.00 H new ATOM 330 N ARG A 24 -7.105 -10.021 0.299 1.00 25.00 N ATOM 331 CA ARG A 24 -6.572 -10.231 -1.040 1.00 25.00 C ATOM 332 C ARG A 24 -5.053 -10.203 -1.096 1.00 25.00 C ATOM 333 O ARG A 24 -4.451 -10.751 -2.016 1.00 25.00 O ATOM 334 CB ARG A 24 -7.140 -9.158 -1.955 1.00 25.00 C ATOM 335 CG ARG A 24 -8.670 -9.089 -1.892 1.00 25.00 C ATOM 336 CD ARG A 24 -9.240 -8.131 -2.911 1.00 25.00 C ATOM 337 NE ARG A 24 -8.671 -6.784 -2.764 1.00 25.00 N ATOM 338 CZ ARG A 24 -8.210 -6.037 -3.761 1.00 25.00 C ATOM 339 NH1 ARG A 24 -8.215 -6.439 -5.011 1.00 25.00 N ATOM 340 NH2 ARG A 24 -7.735 -4.856 -3.486 1.00 25.00 N ATOM 0 H ARG A 24 -7.432 -9.071 0.474 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.870 -11.229 -1.362 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.723 -8.190 -1.678 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -6.830 -9.357 -2.981 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -9.084 -10.083 -2.059 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.977 -8.780 -0.893 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -9.038 -8.504 -3.915 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.323 -8.083 -2.800 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.627 -6.392 -1.823 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -8.584 -7.360 -5.249 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -7.850 -5.830 -5.744 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -7.723 -4.523 -2.522 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -7.375 -4.264 -4.235 1.00 25.00 H new ATOM 354 N GLY A 25 -4.430 -9.561 -0.123 1.00 25.00 N ATOM 355 CA GLY A 25 -2.986 -9.477 -0.102 1.00 25.00 C ATOM 356 C GLY A 25 -2.479 -8.374 -1.004 1.00 25.00 C ATOM 357 O GLY A 25 -3.244 -7.642 -1.637 1.00 25.00 O ATOM 0 H GLY A 25 -4.899 -9.096 0.654 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -2.646 -9.298 0.918 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -2.561 -10.430 -0.417 1.00 25.00 H new ATOM 361 N PHE A 26 -1.168 -8.229 -1.023 1.00 25.00 N ATOM 362 CA PHE A 26 -0.499 -7.158 -1.753 1.00 25.00 C ATOM 363 C PHE A 26 0.942 -7.583 -1.950 1.00 25.00 C ATOM 364 O PHE A 26 1.372 -8.576 -1.363 1.00 25.00 O ATOM 365 CB PHE A 26 -0.542 -5.882 -0.909 1.00 25.00 C ATOM 366 CG PHE A 26 0.228 -5.992 0.379 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.600 -5.669 0.427 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.409 -6.425 1.560 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.329 -5.792 1.630 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.319 -6.546 2.767 1.00 25.00 C ATOM 371 CZ PHE A 26 1.686 -6.229 2.801 1.00 25.00 C ATOM 0 H PHE A 26 -0.529 -8.853 -0.530 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.982 -6.970 -2.712 1.00 25.00 H new ATOM 0 HB2 PHE A 26 -0.141 -5.054 -1.494 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.580 -5.639 -0.683 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.099 -5.324 -0.467 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.462 -6.666 1.543 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.381 -5.550 1.650 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.178 -6.883 3.664 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.241 -6.320 3.723 1.00 25.00 H new ATOM 381 N TYR A 27 1.706 -6.814 -2.707 1.00 25.00 N ATOM 382 CA TYR A 27 3.137 -7.069 -2.847 1.00 25.00 C ATOM 383 C TYR A 27 3.880 -5.751 -3.003 1.00 25.00 C ATOM 384 O TYR A 27 3.292 -4.723 -3.327 1.00 25.00 O ATOM 385 CB TYR A 27 3.412 -7.995 -4.038 1.00 25.00 C ATOM 386 CG TYR A 27 2.932 -7.454 -5.367 1.00 25.00 C ATOM 387 CD1 TYR A 27 3.803 -6.733 -6.210 1.00 25.00 C ATOM 388 CD2 TYR A 27 1.609 -7.680 -5.802 1.00 25.00 C ATOM 389 CE1 TYR A 27 3.355 -6.235 -7.461 1.00 25.00 C ATOM 390 CE2 TYR A 27 1.159 -7.181 -7.050 1.00 25.00 C ATOM 391 CZ TYR A 27 2.036 -6.469 -7.869 1.00 25.00 C ATOM 392 OH TYR A 27 1.600 -6.000 -9.080 1.00 25.00 O ATOM 0 H TYR A 27 1.365 -6.010 -3.234 1.00 25.00 H new ATOM 0 HA TYR A 27 3.495 -7.571 -1.948 1.00 25.00 H new ATOM 0 HB2 TYR A 27 4.484 -8.181 -4.100 1.00 25.00 H new ATOM 0 HB3 TYR A 27 2.932 -8.956 -3.855 1.00 25.00 H new ATOM 0 HD1 TYR A 27 4.823 -6.558 -5.900 1.00 25.00 H new ATOM 0 HD2 TYR A 27 0.930 -8.240 -5.176 1.00 25.00 H new ATOM 0 HE1 TYR A 27 4.028 -5.678 -8.096 1.00 25.00 H new ATOM 0 HE2 TYR A 27 0.140 -7.351 -7.366 1.00 25.00 H new ATOM 0 HH TYR A 27 0.661 -6.250 -9.209 1.00 25.00 H new ATOM 402 N PHE A 28 5.179 -5.776 -2.754 1.00 25.00 N ATOM 403 CA PHE A 28 6.007 -4.583 -2.882 1.00 25.00 C ATOM 404 C PHE A 28 6.651 -4.574 -4.256 1.00 25.00 C ATOM 405 O PHE A 28 7.118 -5.598 -4.731 1.00 25.00 O ATOM 406 CB PHE A 28 7.101 -4.575 -1.818 1.00 25.00 C ATOM 407 CG PHE A 28 6.729 -3.824 -0.569 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.736 -4.312 0.302 1.00 25.00 C ATOM 409 CD2 PHE A 28 7.376 -2.616 -0.250 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.401 -3.603 1.484 1.00 25.00 C ATOM 411 CE2 PHE A 28 7.042 -1.901 0.926 1.00 25.00 C ATOM 412 CZ PHE A 28 6.054 -2.397 1.789 1.00 25.00 C ATOM 0 H PHE A 28 5.686 -6.611 -2.461 1.00 25.00 H new ATOM 0 HA PHE A 28 5.380 -3.701 -2.750 1.00 25.00 H new ATOM 0 HB2 PHE A 28 7.344 -5.604 -1.553 1.00 25.00 H new ATOM 0 HB3 PHE A 28 8.003 -4.133 -2.241 1.00 25.00 H new ATOM 0 HD1 PHE A 28 5.225 -5.234 0.068 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.138 -2.229 -0.911 1.00 25.00 H new ATOM 0 HE1 PHE A 28 4.644 -3.990 2.150 1.00 25.00 H new ATOM 0 HE2 PHE A 28 7.547 -0.975 1.158 1.00 25.00 H new ATOM 0 HZ PHE A 28 5.796 -1.853 2.686 1.00 25.00 H new ATOM 422 N SER A 29 6.701 -3.401 -4.869 1.00 25.00 N ATOM 423 CA SER A 29 7.309 -3.241 -6.190 1.00 25.00 C ATOM 424 C SER A 29 8.832 -3.405 -6.168 1.00 25.00 C ATOM 425 O SER A 29 9.449 -3.707 -7.182 1.00 25.00 O ATOM 426 CB SER A 29 6.968 -1.851 -6.714 1.00 25.00 C ATOM 427 OG SER A 29 6.090 -1.194 -5.803 1.00 25.00 O ATOM 0 H SER A 29 6.327 -2.539 -4.473 1.00 25.00 H new ATOM 0 HA SER A 29 6.910 -4.024 -6.835 1.00 25.00 H new ATOM 0 HB2 SER A 29 7.879 -1.266 -6.841 1.00 25.00 H new ATOM 0 HB3 SER A 29 6.499 -1.927 -7.695 1.00 25.00 H new ATOM 0 HG SER A 29 5.279 -0.913 -6.276 1.00 25.00 H new ATOM 433 N ARG A 30 9.435 -3.188 -5.005 1.00 25.00 N ATOM 434 CA ARG A 30 10.888 -3.326 -4.852 1.00 25.00 C ATOM 435 C ARG A 30 11.196 -4.743 -4.354 1.00 25.00 C ATOM 436 O ARG A 30 10.391 -5.329 -3.620 1.00 25.00 O ATOM 437 CB ARG A 30 11.443 -2.248 -3.897 1.00 25.00 C ATOM 438 CG ARG A 30 10.936 -2.314 -2.450 1.00 25.00 C ATOM 439 CD ARG A 30 11.800 -3.213 -1.573 1.00 25.00 C ATOM 440 NE ARG A 30 11.252 -3.361 -0.215 1.00 25.00 N ATOM 441 CZ ARG A 30 10.495 -4.371 0.199 1.00 25.00 C ATOM 442 NH1 ARG A 30 10.143 -5.361 -0.585 1.00 25.00 N ATOM 443 NH2 ARG A 30 10.083 -4.388 1.435 1.00 25.00 N ATOM 0 H ARG A 30 8.946 -2.916 -4.152 1.00 25.00 H new ATOM 0 HA ARG A 30 11.380 -3.175 -5.813 1.00 25.00 H new ATOM 0 HB2 ARG A 30 12.530 -2.325 -3.885 1.00 25.00 H new ATOM 0 HB3 ARG A 30 11.197 -1.267 -4.304 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.917 -1.309 -2.028 1.00 25.00 H new ATOM 0 HG3 ARG A 30 9.910 -2.682 -2.444 1.00 25.00 H new ATOM 0 HD2 ARG A 30 11.886 -4.196 -2.037 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.807 -2.800 -1.513 1.00 25.00 H new ATOM 0 HE ARG A 30 11.471 -2.630 0.462 1.00 25.00 H new ATOM 0 HH11 ARG A 30 10.452 -5.377 -1.557 1.00 25.00 H new ATOM 0 HH12 ARG A 30 9.560 -6.116 -0.223 1.00 25.00 H new ATOM 0 HH21 ARG A 30 10.342 -3.633 2.069 1.00 25.00 H new ATOM 0 HH22 ARG A 30 9.501 -5.157 1.768 1.00 25.00 H new ATOM 457 N PRO A 31 12.364 -5.301 -4.718 1.00 25.00 N ATOM 458 CA PRO A 31 12.629 -6.672 -4.267 1.00 25.00 C ATOM 459 C PRO A 31 12.876 -6.797 -2.768 1.00 25.00 C ATOM 460 O PRO A 31 13.454 -5.910 -2.143 1.00 25.00 O ATOM 461 CB PRO A 31 13.880 -7.057 -5.066 1.00 25.00 C ATOM 462 CG PRO A 31 14.585 -5.758 -5.278 1.00 25.00 C ATOM 463 CD PRO A 31 13.472 -4.780 -5.545 1.00 25.00 C ATOM 0 HA PRO A 31 11.769 -7.321 -4.434 1.00 25.00 H new ATOM 0 HB2 PRO A 31 14.502 -7.764 -4.518 1.00 25.00 H new ATOM 0 HB3 PRO A 31 13.619 -7.529 -6.013 1.00 25.00 H new ATOM 0 HG2 PRO A 31 15.167 -5.472 -4.402 1.00 25.00 H new ATOM 0 HG3 PRO A 31 15.279 -5.812 -6.117 1.00 25.00 H new ATOM 0 HD2 PRO A 31 13.748 -3.766 -5.256 1.00 25.00 H new ATOM 0 HD3 PRO A 31 13.207 -4.750 -6.602 1.00 25.00 H new ATOM 471 N ALA A 32 12.423 -7.899 -2.189 1.00 25.00 N ATOM 472 CA ALA A 32 12.604 -8.145 -0.763 1.00 25.00 C ATOM 473 C ALA A 32 14.053 -8.570 -0.497 1.00 25.00 C ATOM 474 O ALA A 32 14.452 -9.676 -0.840 1.00 25.00 O ATOM 475 CB ALA A 32 11.629 -9.235 -0.291 1.00 25.00 C ATOM 0 H ALA A 32 11.926 -8.639 -2.684 1.00 25.00 H new ATOM 0 HA ALA A 32 12.396 -7.231 -0.207 1.00 25.00 H new ATOM 0 HB1 ALA A 32 11.770 -9.413 0.775 1.00 25.00 H new ATOM 0 HB2 ALA A 32 10.604 -8.910 -0.472 1.00 25.00 H new ATOM 0 HB3 ALA A 32 11.820 -10.157 -0.841 1.00 25.00 H new ATOM 481 N SER A 33 14.833 -7.685 0.103 1.00 25.00 N ATOM 482 CA SER A 33 16.226 -7.978 0.421 1.00 25.00 C ATOM 483 C SER A 33 16.654 -7.136 1.612 1.00 25.00 C ATOM 484 O SER A 33 16.031 -6.123 1.916 1.00 25.00 O ATOM 485 CB SER A 33 17.115 -7.662 -0.784 1.00 25.00 C ATOM 486 OG SER A 33 18.432 -8.153 -0.585 1.00 25.00 O ATOM 0 H SER A 33 14.526 -6.753 0.382 1.00 25.00 H new ATOM 0 HA SER A 33 16.328 -9.035 0.665 1.00 25.00 H new ATOM 0 HB2 SER A 33 16.688 -8.108 -1.682 1.00 25.00 H new ATOM 0 HB3 SER A 33 17.145 -6.585 -0.946 1.00 25.00 H new ATOM 0 HG SER A 33 18.982 -7.941 -1.368 1.00 25.00 H new ATOM 492 N ARG A 34 17.737 -7.548 2.263 1.00 25.00 N ATOM 493 CA ARG A 34 18.315 -6.803 3.388 1.00 25.00 C ATOM 494 C ARG A 34 18.937 -5.497 2.907 1.00 25.00 C ATOM 495 O ARG A 34 19.115 -4.556 3.674 1.00 25.00 O ATOM 496 CB ARG A 34 19.392 -7.657 4.066 1.00 25.00 C ATOM 497 CG ARG A 34 19.317 -7.664 5.587 1.00 25.00 C ATOM 498 CD ARG A 34 19.906 -6.398 6.216 1.00 25.00 C ATOM 499 NE ARG A 34 19.958 -6.491 7.687 1.00 25.00 N ATOM 500 CZ ARG A 34 20.443 -5.555 8.499 1.00 25.00 C ATOM 501 NH1 ARG A 34 20.932 -4.424 8.050 1.00 25.00 N ATOM 502 NH2 ARG A 34 20.437 -5.765 9.786 1.00 25.00 N ATOM 0 H ARG A 34 18.241 -8.404 2.031 1.00 25.00 H new ATOM 0 HA ARG A 34 17.520 -6.572 4.097 1.00 25.00 H new ATOM 0 HB2 ARG A 34 19.308 -8.682 3.705 1.00 25.00 H new ATOM 0 HB3 ARG A 34 20.373 -7.292 3.763 1.00 25.00 H new ATOM 0 HG2 ARG A 34 18.276 -7.767 5.894 1.00 25.00 H new ATOM 0 HG3 ARG A 34 19.849 -8.535 5.968 1.00 25.00 H new ATOM 0 HD2 ARG A 34 20.910 -6.232 5.826 1.00 25.00 H new ATOM 0 HD3 ARG A 34 19.306 -5.535 5.927 1.00 25.00 H new ATOM 0 HE ARG A 34 19.593 -7.341 8.116 1.00 25.00 H new ATOM 0 HH11 ARG A 34 20.949 -4.238 7.047 1.00 25.00 H new ATOM 0 HH12 ARG A 34 21.295 -3.730 8.704 1.00 25.00 H new ATOM 0 HH21 ARG A 34 20.064 -6.638 10.159 1.00 25.00 H new ATOM 0 HH22 ARG A 34 20.806 -5.056 10.420 1.00 25.00 H new ATOM 516 N VAL A 35 19.277 -5.465 1.631 1.00 25.00 N ATOM 517 CA VAL A 35 19.891 -4.289 1.017 1.00 25.00 C ATOM 518 C VAL A 35 18.907 -3.610 0.068 1.00 25.00 C ATOM 519 O VAL A 35 17.954 -4.222 -0.407 1.00 25.00 O ATOM 520 CB VAL A 35 21.200 -4.658 0.246 1.00 25.00 C ATOM 521 CG1 VAL A 35 22.245 -5.223 1.215 1.00 25.00 C ATOM 522 CG2 VAL A 35 20.925 -5.679 -0.879 1.00 25.00 C ATOM 0 H VAL A 35 19.139 -6.246 0.990 1.00 25.00 H new ATOM 0 HA VAL A 35 20.154 -3.601 1.820 1.00 25.00 H new ATOM 0 HB VAL A 35 21.584 -3.745 -0.210 1.00 25.00 H new ATOM 0 HG11 VAL A 35 23.152 -5.476 0.665 1.00 25.00 H new ATOM 0 HG12 VAL A 35 22.478 -4.477 1.975 1.00 25.00 H new ATOM 0 HG13 VAL A 35 21.850 -6.118 1.695 1.00 25.00 H new ATOM 0 HG21 VAL A 35 21.857 -5.913 -1.394 1.00 25.00 H new ATOM 0 HG22 VAL A 35 20.509 -6.590 -0.449 1.00 25.00 H new ATOM 0 HG23 VAL A 35 20.214 -5.256 -1.589 1.00 25.00 H new ATOM 532 N SER A 36 19.162 -2.343 -0.212 1.00 25.00 N ATOM 533 CA SER A 36 18.334 -1.571 -1.125 1.00 25.00 C ATOM 534 C SER A 36 19.041 -1.547 -2.460 1.00 25.00 C ATOM 535 O SER A 36 20.267 -1.556 -2.523 1.00 25.00 O ATOM 536 CB SER A 36 18.154 -0.138 -0.615 1.00 25.00 C ATOM 537 OG SER A 36 17.403 0.636 -1.544 1.00 25.00 O ATOM 0 H SER A 36 19.944 -1.822 0.184 1.00 25.00 H new ATOM 0 HA SER A 36 17.346 -2.023 -1.208 1.00 25.00 H new ATOM 0 HB2 SER A 36 17.646 -0.151 0.349 1.00 25.00 H new ATOM 0 HB3 SER A 36 19.129 0.322 -0.456 1.00 25.00 H new ATOM 0 HG SER A 36 17.297 1.548 -1.200 1.00 25.00 H new ATOM 543 N ARG A 37 18.264 -1.514 -3.527 1.00 25.00 N ATOM 544 CA ARG A 37 18.803 -1.486 -4.886 1.00 25.00 C ATOM 545 C ARG A 37 18.208 -0.299 -5.638 1.00 25.00 C ATOM 546 O ARG A 37 17.966 -0.371 -6.836 1.00 25.00 O ATOM 547 CB ARG A 37 18.499 -2.816 -5.589 1.00 25.00 C ATOM 548 CG ARG A 37 19.238 -4.025 -4.978 1.00 25.00 C ATOM 549 CD ARG A 37 20.727 -4.017 -5.353 1.00 25.00 C ATOM 550 NE ARG A 37 21.386 -5.298 -5.035 1.00 25.00 N ATOM 551 CZ ARG A 37 22.655 -5.596 -5.301 1.00 25.00 C ATOM 552 NH1 ARG A 37 23.470 -4.743 -5.875 1.00 25.00 N ATOM 553 NH2 ARG A 37 23.111 -6.778 -4.992 1.00 25.00 N ATOM 0 H ARG A 37 17.245 -1.506 -3.483 1.00 25.00 H new ATOM 0 HA ARG A 37 19.886 -1.364 -4.862 1.00 25.00 H new ATOM 0 HB2 ARG A 37 17.425 -3.000 -5.550 1.00 25.00 H new ATOM 0 HB3 ARG A 37 18.769 -2.730 -6.641 1.00 25.00 H new ATOM 0 HG2 ARG A 37 19.134 -4.007 -3.893 1.00 25.00 H new ATOM 0 HG3 ARG A 37 18.778 -4.949 -5.327 1.00 25.00 H new ATOM 0 HD2 ARG A 37 20.831 -3.811 -6.418 1.00 25.00 H new ATOM 0 HD3 ARG A 37 21.230 -3.209 -4.821 1.00 25.00 H new ATOM 0 HE ARG A 37 20.823 -6.013 -4.574 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.137 -3.814 -6.133 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.437 -5.009 -6.063 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.496 -7.463 -4.551 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.082 -7.018 -5.191 1.00 25.00 H new ATOM 567 N ARG A 38 17.973 0.783 -4.884 1.00 25.00 N ATOM 568 CA ARG A 38 17.408 2.061 -5.385 1.00 25.00 C ATOM 569 C ARG A 38 16.317 1.890 -6.443 1.00 25.00 C ATOM 570 O ARG A 38 16.301 2.525 -7.493 1.00 25.00 O ATOM 571 CB ARG A 38 18.520 2.999 -5.864 1.00 25.00 C ATOM 572 CG ARG A 38 19.426 2.468 -6.965 1.00 25.00 C ATOM 573 CD ARG A 38 20.234 3.611 -7.489 1.00 25.00 C ATOM 574 NE ARG A 38 21.248 3.198 -8.475 1.00 25.00 N ATOM 575 CZ ARG A 38 21.048 3.077 -9.785 1.00 25.00 C ATOM 576 NH1 ARG A 38 19.883 3.301 -10.342 1.00 25.00 N ATOM 577 NH2 ARG A 38 22.046 2.722 -10.549 1.00 25.00 N ATOM 0 H ARG A 38 18.172 0.803 -3.884 1.00 25.00 H new ATOM 0 HA ARG A 38 16.906 2.521 -4.534 1.00 25.00 H new ATOM 0 HB2 ARG A 38 18.060 3.922 -6.216 1.00 25.00 H new ATOM 0 HB3 ARG A 38 19.141 3.259 -5.006 1.00 25.00 H new ATOM 0 HG2 ARG A 38 20.079 1.686 -6.577 1.00 25.00 H new ATOM 0 HG3 ARG A 38 18.834 2.022 -7.764 1.00 25.00 H new ATOM 0 HD2 ARG A 38 19.566 4.340 -7.947 1.00 25.00 H new ATOM 0 HD3 ARG A 38 20.728 4.111 -6.656 1.00 25.00 H new ATOM 0 HE ARG A 38 22.182 2.987 -8.124 1.00 25.00 H new ATOM 0 HH11 ARG A 38 19.088 3.579 -9.767 1.00 25.00 H new ATOM 0 HH12 ARG A 38 19.771 3.197 -11.351 1.00 25.00 H new ATOM 0 HH21 ARG A 38 22.963 2.542 -10.140 1.00 25.00 H new ATOM 0 HH22 ARG A 38 21.909 2.625 -11.555 1.00 25.00 H new ATOM 591 N SER A 39 15.413 0.988 -6.126 1.00 25.00 N ATOM 592 CA SER A 39 14.305 0.626 -6.997 1.00 25.00 C ATOM 593 C SER A 39 13.070 1.470 -6.691 1.00 25.00 C ATOM 594 O SER A 39 12.657 1.569 -5.533 1.00 25.00 O ATOM 595 CB SER A 39 13.988 -0.846 -6.774 1.00 25.00 C ATOM 596 OG SER A 39 15.187 -1.552 -6.467 1.00 25.00 O ATOM 0 H SER A 39 15.423 0.476 -5.244 1.00 25.00 H new ATOM 0 HA SER A 39 14.586 0.808 -8.035 1.00 25.00 H new ATOM 0 HB2 SER A 39 13.271 -0.955 -5.960 1.00 25.00 H new ATOM 0 HB3 SER A 39 13.524 -1.268 -7.666 1.00 25.00 H new ATOM 0 HG SER A 39 15.055 -2.509 -6.634 1.00 25.00 H new ATOM 602 N ARG A 40 12.482 2.058 -7.727 1.00 25.00 N ATOM 603 CA ARG A 40 11.265 2.866 -7.578 1.00 25.00 C ATOM 604 C ARG A 40 10.073 1.989 -7.210 1.00 25.00 C ATOM 605 O ARG A 40 10.112 0.772 -7.390 1.00 25.00 O ATOM 606 CB ARG A 40 10.959 3.623 -8.884 1.00 25.00 C ATOM 607 CG ARG A 40 10.539 2.742 -10.062 1.00 25.00 C ATOM 608 CD ARG A 40 10.174 3.604 -11.266 1.00 25.00 C ATOM 609 NE ARG A 40 9.650 2.795 -12.380 1.00 25.00 N ATOM 610 CZ ARG A 40 9.216 3.276 -13.540 1.00 25.00 C ATOM 611 NH1 ARG A 40 9.217 4.557 -13.811 1.00 25.00 N ATOM 612 NH2 ARG A 40 8.767 2.450 -14.446 1.00 25.00 N ATOM 0 H ARG A 40 12.826 1.993 -8.685 1.00 25.00 H new ATOM 0 HA ARG A 40 11.437 3.584 -6.776 1.00 25.00 H new ATOM 0 HB2 ARG A 40 10.166 4.345 -8.690 1.00 25.00 H new ATOM 0 HB3 ARG A 40 11.844 4.191 -9.172 1.00 25.00 H new ATOM 0 HG2 ARG A 40 11.351 2.064 -10.325 1.00 25.00 H new ATOM 0 HG3 ARG A 40 9.687 2.124 -9.777 1.00 25.00 H new ATOM 0 HD2 ARG A 40 9.429 4.343 -10.971 1.00 25.00 H new ATOM 0 HD3 ARG A 40 11.054 4.154 -11.599 1.00 25.00 H new ATOM 0 HE ARG A 40 9.618 1.784 -12.250 1.00 25.00 H new ATOM 0 HH11 ARG A 40 9.559 5.224 -13.120 1.00 25.00 H new ATOM 0 HH12 ARG A 40 8.876 4.888 -14.713 1.00 25.00 H new ATOM 0 HH21 ARG A 40 8.752 1.447 -14.259 1.00 25.00 H new ATOM 0 HH22 ARG A 40 8.431 2.807 -15.340 1.00 25.00 H new ATOM 626 N GLY A 41 8.998 2.602 -6.736 1.00 25.00 N ATOM 627 CA GLY A 41 7.791 1.856 -6.414 1.00 25.00 C ATOM 628 C GLY A 41 7.044 2.413 -5.225 1.00 25.00 C ATOM 629 O GLY A 41 7.228 3.565 -4.855 1.00 25.00 O ATOM 0 H GLY A 41 8.937 3.606 -6.567 1.00 25.00 H new ATOM 0 HA2 GLY A 41 7.131 1.855 -7.281 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.056 0.818 -6.214 1.00 25.00 H new ATOM 633 N ILE A 42 6.234 1.567 -4.600 1.00 25.00 N ATOM 634 CA ILE A 42 5.420 1.944 -3.434 1.00 25.00 C ATOM 635 C ILE A 42 6.236 2.649 -2.331 1.00 25.00 C ATOM 636 O ILE A 42 5.748 3.578 -1.704 1.00 25.00 O ATOM 637 CB ILE A 42 4.671 0.667 -2.873 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.735 1.017 -1.700 1.00 25.00 C ATOM 639 CG2 ILE A 42 5.673 -0.419 -2.404 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.445 1.709 -2.102 1.00 25.00 C ATOM 0 H ILE A 42 6.118 0.594 -4.883 1.00 25.00 H new ATOM 0 HA ILE A 42 4.684 2.676 -3.768 1.00 25.00 H new ATOM 0 HB ILE A 42 4.075 0.279 -3.699 1.00 25.00 H new ATOM 0 HG12 ILE A 42 3.488 0.100 -1.164 1.00 25.00 H new ATOM 0 HG13 ILE A 42 4.273 1.659 -1.002 1.00 25.00 H new ATOM 0 HG21 ILE A 42 5.124 -1.281 -2.025 1.00 25.00 H new ATOM 0 HG22 ILE A 42 6.296 -0.726 -3.244 1.00 25.00 H new ATOM 0 HG23 ILE A 42 6.304 -0.014 -1.613 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.851 1.916 -1.212 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.677 2.645 -2.609 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.880 1.063 -2.774 1.00 25.00 H new ATOM 652 N VAL A 43 7.492 2.266 -2.130 1.00 25.00 N ATOM 653 CA VAL A 43 8.319 2.907 -1.108 1.00 25.00 C ATOM 654 C VAL A 43 8.628 4.350 -1.495 1.00 25.00 C ATOM 655 O VAL A 43 8.547 5.244 -0.675 1.00 25.00 O ATOM 656 CB VAL A 43 9.654 2.144 -0.890 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.527 2.848 0.164 1.00 25.00 C ATOM 658 CG2 VAL A 43 9.372 0.711 -0.433 1.00 25.00 C ATOM 0 H VAL A 43 7.958 1.524 -2.653 1.00 25.00 H new ATOM 0 HA VAL A 43 7.750 2.888 -0.178 1.00 25.00 H new ATOM 0 HB VAL A 43 10.190 2.130 -1.839 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.456 2.293 0.297 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.754 3.861 -0.169 1.00 25.00 H new ATOM 0 HG13 VAL A 43 9.990 2.890 1.112 1.00 25.00 H new ATOM 0 HG21 VAL A 43 10.315 0.185 -0.283 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.815 0.731 0.503 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.786 0.195 -1.193 1.00 25.00 H new ATOM 668 N GLU A 44 8.955 4.593 -2.747 1.00 25.00 N ATOM 669 CA GLU A 44 9.263 5.950 -3.180 1.00 25.00 C ATOM 670 C GLU A 44 8.031 6.825 -3.078 1.00 25.00 C ATOM 671 O GLU A 44 8.100 7.996 -2.727 1.00 25.00 O ATOM 672 CB GLU A 44 9.754 5.943 -4.612 1.00 25.00 C ATOM 673 CG GLU A 44 11.180 6.397 -4.726 1.00 25.00 C ATOM 674 CD GLU A 44 11.648 6.416 -6.173 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.786 6.293 -7.075 1.00 25.00 O ATOM 676 OE2 GLU A 44 12.871 6.456 -6.411 1.00 25.00 O ATOM 0 H GLU A 44 9.015 3.884 -3.477 1.00 25.00 H new ATOM 0 HA GLU A 44 10.043 6.349 -2.532 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.661 4.937 -5.021 1.00 25.00 H new ATOM 0 HB3 GLU A 44 9.119 6.592 -5.215 1.00 25.00 H new ATOM 0 HG2 GLU A 44 11.280 7.394 -4.298 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.821 5.734 -4.144 1.00 25.00 H new ATOM 683 N GLU A 45 6.890 6.238 -3.375 1.00 25.00 N ATOM 684 CA GLU A 45 5.649 6.971 -3.336 1.00 25.00 C ATOM 685 C GLU A 45 5.158 7.266 -1.921 1.00 25.00 C ATOM 686 O GLU A 45 4.617 8.338 -1.693 1.00 25.00 O ATOM 687 CB GLU A 45 4.594 6.199 -4.113 1.00 25.00 C ATOM 688 CG GLU A 45 4.776 6.320 -5.630 1.00 25.00 C ATOM 689 CD GLU A 45 4.755 4.994 -6.326 1.00 25.00 C ATOM 690 OE1 GLU A 45 5.588 4.635 -7.111 1.00 25.00 O ATOM 691 OE2 GLU A 45 3.742 4.274 -6.020 1.00 25.00 O ATOM 0 H GLU A 45 6.800 5.258 -3.645 1.00 25.00 H new ATOM 0 HA GLU A 45 5.832 7.943 -3.795 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.635 5.148 -3.828 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.605 6.566 -3.839 1.00 25.00 H new ATOM 0 HG2 GLU A 45 3.986 6.951 -6.037 1.00 25.00 H new ATOM 0 HG3 GLU A 45 5.722 6.820 -5.839 1.00 25.00 H new ATOM 698 N CYS A 46 5.321 6.325 -0.992 1.00 25.00 N ATOM 699 CA CYS A 46 4.766 6.479 0.365 1.00 25.00 C ATOM 700 C CYS A 46 5.759 6.807 1.481 1.00 25.00 C ATOM 701 O CYS A 46 5.354 7.308 2.515 1.00 25.00 O ATOM 702 CB CYS A 46 4.030 5.204 0.784 1.00 25.00 C ATOM 703 SG CYS A 46 2.578 4.665 -0.196 1.00 25.00 S ATOM 0 H CYS A 46 5.827 5.453 -1.145 1.00 25.00 H new ATOM 0 HA CYS A 46 4.113 7.346 0.266 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.753 4.388 0.780 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.703 5.335 1.815 1.00 25.00 H new ATOM 708 N CYS A 47 7.035 6.504 1.290 1.00 25.00 N ATOM 709 CA CYS A 47 8.052 6.753 2.320 1.00 25.00 C ATOM 710 C CYS A 47 8.904 7.975 1.970 1.00 25.00 C ATOM 711 O CYS A 47 9.295 8.736 2.846 1.00 25.00 O ATOM 712 CB CYS A 47 8.952 5.523 2.469 1.00 25.00 C ATOM 713 SG CYS A 47 10.255 5.678 3.735 1.00 25.00 S ATOM 0 H CYS A 47 7.398 6.085 0.434 1.00 25.00 H new ATOM 0 HA CYS A 47 7.541 6.950 3.262 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.329 4.662 2.712 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.422 5.315 1.508 1.00 25.00 H new ATOM 718 N PHE A 48 9.187 8.157 0.689 1.00 25.00 N ATOM 719 CA PHE A 48 9.970 9.313 0.243 1.00 25.00 C ATOM 720 C PHE A 48 9.037 10.474 -0.113 1.00 25.00 C ATOM 721 O PHE A 48 9.407 11.638 0.003 1.00 25.00 O ATOM 722 CB PHE A 48 10.862 8.922 -0.933 1.00 25.00 C ATOM 723 CG PHE A 48 12.016 8.041 -0.545 1.00 25.00 C ATOM 724 CD1 PHE A 48 13.253 8.613 -0.196 1.00 25.00 C ATOM 725 CD2 PHE A 48 11.885 6.636 -0.522 1.00 25.00 C ATOM 726 CE1 PHE A 48 14.354 7.797 0.169 1.00 25.00 C ATOM 727 CE2 PHE A 48 12.981 5.813 -0.170 1.00 25.00 C ATOM 728 CZ PHE A 48 14.216 6.395 0.178 1.00 25.00 C ATOM 0 H PHE A 48 8.892 7.529 -0.058 1.00 25.00 H new ATOM 0 HA PHE A 48 10.619 9.646 1.053 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.258 8.408 -1.681 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.248 9.827 -1.402 1.00 25.00 H new ATOM 0 HD1 PHE A 48 13.366 9.687 -0.206 1.00 25.00 H new ATOM 0 HD2 PHE A 48 10.938 6.184 -0.776 1.00 25.00 H new ATOM 0 HE1 PHE A 48 15.297 8.250 0.440 1.00 25.00 H new ATOM 0 HE2 PHE A 48 12.871 4.739 -0.168 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.053 5.769 0.450 1.00 25.00 H new ATOM 738 N ARG A 49 7.800 10.144 -0.457 1.00 25.00 N ATOM 739 CA ARG A 49 6.718 11.134 -0.584 1.00 25.00 C ATOM 740 C ARG A 49 5.588 10.660 0.313 1.00 25.00 C ATOM 741 O ARG A 49 5.679 9.593 0.873 1.00 25.00 O ATOM 742 CB ARG A 49 6.247 11.275 -2.030 1.00 25.00 C ATOM 743 CG ARG A 49 7.273 11.938 -2.913 1.00 25.00 C ATOM 744 CD ARG A 49 6.672 12.397 -4.242 1.00 25.00 C ATOM 745 NE ARG A 49 6.079 11.282 -5.009 1.00 25.00 N ATOM 746 CZ ARG A 49 4.779 11.098 -5.233 1.00 25.00 C ATOM 747 NH1 ARG A 49 3.862 11.919 -4.786 1.00 25.00 N ATOM 748 NH2 ARG A 49 4.396 10.068 -5.933 1.00 25.00 N ATOM 0 H ARG A 49 7.510 9.187 -0.657 1.00 25.00 H new ATOM 0 HA ARG A 49 7.069 12.122 -0.285 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.013 10.288 -2.430 1.00 25.00 H new ATOM 0 HB3 ARG A 49 5.325 11.855 -2.053 1.00 25.00 H new ATOM 0 HG2 ARG A 49 7.700 12.795 -2.393 1.00 25.00 H new ATOM 0 HG3 ARG A 49 8.090 11.243 -3.105 1.00 25.00 H new ATOM 0 HD2 ARG A 49 5.907 13.150 -4.051 1.00 25.00 H new ATOM 0 HD3 ARG A 49 7.447 12.875 -4.842 1.00 25.00 H new ATOM 0 HE ARG A 49 6.721 10.593 -5.401 1.00 25.00 H new ATOM 0 HH11 ARG A 49 4.132 12.739 -4.242 1.00 25.00 H new ATOM 0 HH12 ARG A 49 2.877 11.739 -4.982 1.00 25.00 H new ATOM 0 HH21 ARG A 49 5.088 9.416 -6.301 1.00 25.00 H new ATOM 0 HH22 ARG A 49 3.404 9.914 -6.113 1.00 25.00 H new ATOM 762 N SER A 50 4.554 11.469 0.480 1.00 25.00 N ATOM 763 CA SER A 50 3.466 11.161 1.427 1.00 25.00 C ATOM 764 C SER A 50 2.402 10.148 0.964 1.00 25.00 C ATOM 765 O SER A 50 1.583 9.719 1.770 1.00 25.00 O ATOM 766 CB SER A 50 2.750 12.462 1.785 1.00 25.00 C ATOM 767 OG SER A 50 3.696 13.484 2.076 1.00 25.00 O ATOM 0 H SER A 50 4.435 12.348 -0.023 1.00 25.00 H new ATOM 0 HA SER A 50 3.967 10.682 2.268 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.112 12.773 0.958 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.101 12.302 2.646 1.00 25.00 H new ATOM 0 HG SER A 50 3.224 14.312 2.302 1.00 25.00 H new ATOM 773 N CYS A 51 2.417 9.794 -0.318 1.00 25.00 N ATOM 774 CA CYS A 51 1.427 8.885 -0.940 1.00 25.00 C ATOM 775 C CYS A 51 -0.005 9.424 -0.953 1.00 25.00 C ATOM 776 O CYS A 51 -0.256 10.574 -0.618 1.00 25.00 O ATOM 777 CB CYS A 51 1.446 7.496 -0.282 1.00 25.00 C ATOM 778 SG CYS A 51 2.058 6.206 -1.405 1.00 25.00 S ATOM 0 H CYS A 51 3.123 10.129 -0.974 1.00 25.00 H new ATOM 0 HA CYS A 51 1.743 8.808 -1.980 1.00 25.00 H new ATOM 0 HB2 CYS A 51 2.075 7.527 0.608 1.00 25.00 H new ATOM 0 HB3 CYS A 51 0.439 7.239 0.048 1.00 25.00 H new ATOM 783 N ASP A 52 -0.924 8.567 -1.376 1.00 25.00 N ATOM 784 CA ASP A 52 -2.352 8.871 -1.428 1.00 25.00 C ATOM 785 C ASP A 52 -3.049 7.552 -1.186 1.00 25.00 C ATOM 786 O ASP A 52 -2.503 6.503 -1.529 1.00 25.00 O ATOM 787 CB ASP A 52 -2.750 9.390 -2.805 1.00 25.00 C ATOM 788 CG ASP A 52 -3.413 10.738 -2.744 1.00 25.00 C ATOM 789 OD1 ASP A 52 -3.023 11.636 -3.518 1.00 25.00 O ATOM 790 OD2 ASP A 52 -4.369 10.876 -1.952 1.00 25.00 O ATOM 0 H ASP A 52 -0.698 7.626 -1.698 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.616 9.636 -0.697 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -1.863 9.453 -3.436 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.427 8.677 -3.277 1.00 25.00 H new ATOM 795 N LEU A 53 -4.246 7.577 -0.623 1.00 25.00 N ATOM 796 CA LEU A 53 -4.982 6.338 -0.348 1.00 25.00 C ATOM 797 C LEU A 53 -5.341 5.605 -1.643 1.00 25.00 C ATOM 798 O LEU A 53 -5.237 4.380 -1.733 1.00 25.00 O ATOM 799 CB LEU A 53 -6.265 6.654 0.433 1.00 25.00 C ATOM 800 CG LEU A 53 -7.156 5.449 0.797 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.443 4.453 1.717 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.429 5.947 1.471 1.00 25.00 C ATOM 0 H LEU A 53 -4.732 8.430 -0.347 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.338 5.690 0.246 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -5.988 7.165 1.355 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -6.859 7.354 -0.154 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.394 4.924 -0.128 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.113 3.623 1.944 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -5.550 4.073 1.220 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.158 4.953 2.643 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.060 5.097 1.729 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.170 6.495 2.377 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -8.968 6.605 0.790 1.00 25.00 H new ATOM 814 N ALA A 54 -5.750 6.365 -2.652 1.00 25.00 N ATOM 815 CA ALA A 54 -6.166 5.775 -3.923 1.00 25.00 C ATOM 816 C ALA A 54 -4.961 5.142 -4.604 1.00 25.00 C ATOM 817 O ALA A 54 -5.043 4.059 -5.164 1.00 25.00 O ATOM 818 CB ALA A 54 -6.794 6.855 -4.818 1.00 25.00 C ATOM 0 H ALA A 54 -5.803 7.383 -2.618 1.00 25.00 H new ATOM 0 HA ALA A 54 -6.913 5.002 -3.744 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.102 6.410 -5.764 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.663 7.282 -4.318 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.063 7.641 -5.008 1.00 25.00 H new ATOM 824 N LEU A 55 -3.831 5.825 -4.507 1.00 25.00 N ATOM 825 CA LEU A 55 -2.581 5.344 -5.070 1.00 25.00 C ATOM 826 C LEU A 55 -2.149 4.056 -4.383 1.00 25.00 C ATOM 827 O LEU A 55 -1.754 3.099 -5.034 1.00 25.00 O ATOM 828 CB LEU A 55 -1.528 6.435 -4.867 1.00 25.00 C ATOM 829 CG LEU A 55 -0.046 6.041 -4.885 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.382 5.427 -6.205 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.756 7.293 -4.587 1.00 25.00 C ATOM 0 H LEU A 55 -3.756 6.727 -4.036 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.703 5.128 -6.131 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.679 7.188 -5.640 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.731 6.916 -3.910 1.00 25.00 H new ATOM 0 HG LEU A 55 0.130 5.271 -4.134 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.440 5.168 -6.160 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.204 4.528 -6.395 1.00 25.00 H new ATOM 0 HD13 LEU A 55 0.218 6.144 -7.010 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.819 7.053 -4.591 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.551 8.046 -5.348 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.475 7.681 -3.608 1.00 25.00 H new ATOM 843 N LEU A 56 -2.231 4.029 -3.064 1.00 25.00 N ATOM 844 CA LEU A 56 -1.782 2.871 -2.304 1.00 25.00 C ATOM 845 C LEU A 56 -2.584 1.622 -2.676 1.00 25.00 C ATOM 846 O LEU A 56 -2.037 0.523 -2.789 1.00 25.00 O ATOM 847 CB LEU A 56 -1.892 3.191 -0.810 1.00 25.00 C ATOM 848 CG LEU A 56 -1.018 2.347 0.124 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.658 3.184 1.340 1.00 25.00 C ATOM 850 CD2 LEU A 56 -1.708 1.070 0.573 1.00 25.00 C ATOM 0 H LEU A 56 -2.602 4.791 -2.497 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.741 2.655 -2.546 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.637 4.241 -0.664 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -2.933 3.071 -0.509 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.125 2.051 -0.427 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.036 2.596 2.015 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.111 4.071 1.022 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.569 3.485 1.857 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.045 0.510 1.232 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.624 1.320 1.107 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -1.951 0.462 -0.298 1.00 25.00 H new ATOM 862 N GLU A 57 -3.868 1.815 -2.935 1.00 25.00 N ATOM 863 CA GLU A 57 -4.773 0.728 -3.311 1.00 25.00 C ATOM 864 C GLU A 57 -4.386 0.023 -4.619 1.00 25.00 C ATOM 865 O GLU A 57 -4.738 -1.134 -4.836 1.00 25.00 O ATOM 866 CB GLU A 57 -6.187 1.301 -3.435 1.00 25.00 C ATOM 867 CG GLU A 57 -7.281 0.258 -3.435 1.00 25.00 C ATOM 868 CD GLU A 57 -8.641 0.861 -3.260 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.151 1.604 -4.046 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.221 0.513 -2.167 1.00 25.00 O ATOM 0 H GLU A 57 -4.317 2.730 -2.892 1.00 25.00 H new ATOM 0 HA GLU A 57 -4.711 -0.031 -2.531 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.360 1.993 -2.611 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.253 1.880 -4.356 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.250 -0.298 -4.372 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.098 -0.458 -2.634 1.00 25.00 H new ATOM 878 N THR A 58 -3.646 0.703 -5.484 1.00 25.00 N ATOM 879 CA THR A 58 -3.258 0.124 -6.774 1.00 25.00 C ATOM 880 C THR A 58 -2.197 -0.975 -6.644 1.00 25.00 C ATOM 881 O THR A 58 -1.958 -1.722 -7.589 1.00 25.00 O ATOM 882 CB THR A 58 -2.751 1.204 -7.755 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.501 1.736 -7.299 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.759 2.349 -7.854 1.00 25.00 C ATOM 0 H THR A 58 -3.302 1.650 -5.323 1.00 25.00 H new ATOM 0 HA THR A 58 -4.167 -0.330 -7.170 1.00 25.00 H new ATOM 0 HB THR A 58 -2.624 0.740 -8.733 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.643 2.244 -6.473 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.387 3.102 -8.549 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.713 1.964 -8.213 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.896 2.799 -6.871 1.00 25.00 H new ATOM 892 N TYR A 59 -1.556 -1.071 -5.485 1.00 25.00 N ATOM 893 CA TYR A 59 -0.524 -2.087 -5.248 1.00 25.00 C ATOM 894 C TYR A 59 -1.082 -3.333 -4.553 1.00 25.00 C ATOM 895 O TYR A 59 -0.333 -4.243 -4.170 1.00 25.00 O ATOM 896 CB TYR A 59 0.622 -1.485 -4.431 1.00 25.00 C ATOM 897 CG TYR A 59 1.464 -0.535 -5.251 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.187 0.849 -5.279 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.531 -1.022 -6.036 1.00 25.00 C ATOM 900 CE1 TYR A 59 1.969 1.727 -6.065 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.310 -0.143 -6.831 1.00 25.00 C ATOM 902 CZ TYR A 59 3.021 1.222 -6.835 1.00 25.00 C ATOM 903 OH TYR A 59 3.780 2.069 -7.603 1.00 25.00 O ATOM 0 H TYR A 59 -1.730 -0.458 -4.689 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.149 -2.407 -6.220 1.00 25.00 H new ATOM 0 HB2 TYR A 59 0.214 -0.956 -3.569 1.00 25.00 H new ATOM 0 HB3 TYR A 59 1.252 -2.286 -4.045 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.369 1.242 -4.694 1.00 25.00 H new ATOM 0 HD2 TYR A 59 2.757 -2.078 -6.031 1.00 25.00 H new ATOM 0 HE1 TYR A 59 1.754 2.785 -6.070 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.122 -0.528 -7.430 1.00 25.00 H new ATOM 0 HH TYR A 59 3.681 2.987 -7.273 1.00 25.00 H new ATOM 913 N CYS A 60 -2.400 -3.397 -4.423 1.00 25.00 N ATOM 914 CA CYS A 60 -3.053 -4.579 -3.883 1.00 25.00 C ATOM 915 C CYS A 60 -3.062 -5.699 -4.921 1.00 25.00 C ATOM 916 O CYS A 60 -3.015 -5.446 -6.123 1.00 25.00 O ATOM 917 CB CYS A 60 -4.490 -4.251 -3.500 1.00 25.00 C ATOM 918 SG CYS A 60 -4.629 -3.007 -2.180 1.00 25.00 S ATOM 0 H CYS A 60 -3.037 -2.644 -4.684 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.501 -4.904 -3.001 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.019 -3.892 -4.383 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -4.989 -5.165 -3.179 1.00 25.00 H new ATOM 923 N ALA A 61 -3.144 -6.938 -4.455 1.00 25.00 N ATOM 924 CA ALA A 61 -3.176 -8.091 -5.340 1.00 25.00 C ATOM 925 C ALA A 61 -4.627 -8.482 -5.650 1.00 25.00 C ATOM 926 O ALA A 61 -5.552 -8.044 -4.965 1.00 25.00 O ATOM 927 CB ALA A 61 -2.431 -9.263 -4.694 1.00 25.00 C ATOM 0 H ALA A 61 -3.190 -7.169 -3.463 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.682 -7.834 -6.277 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.458 -10.124 -5.362 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.395 -8.979 -4.511 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -2.909 -9.521 -3.749 1.00 25.00 H new ATOM 933 N THR A 62 -4.765 -9.352 -6.653 1.00 25.00 N ATOM 934 CA THR A 62 -6.044 -9.923 -7.139 1.00 25.00 C ATOM 935 C THR A 62 -6.971 -8.887 -7.806 1.00 25.00 C ATOM 936 O THR A 62 -6.860 -7.680 -7.566 1.00 25.00 O ATOM 937 CB THR A 62 -6.849 -10.686 -6.031 1.00 25.00 C ATOM 938 OG1 THR A 62 -7.555 -9.749 -5.225 1.00 25.00 O ATOM 939 CG2 THR A 62 -5.943 -11.525 -5.139 1.00 25.00 C ATOM 0 H THR A 62 -3.961 -9.699 -7.177 1.00 25.00 H new ATOM 0 HA THR A 62 -5.727 -10.640 -7.896 1.00 25.00 H new ATOM 0 HB THR A 62 -7.542 -11.359 -6.535 1.00 25.00 H new ATOM 0 HG1 THR A 62 -7.039 -8.918 -5.161 1.00 25.00 H new ATOM 0 HG21 THR A 62 -6.544 -12.035 -4.387 1.00 25.00 H new ATOM 0 HG22 THR A 62 -5.418 -12.263 -5.745 1.00 25.00 H new ATOM 0 HG23 THR A 62 -5.218 -10.878 -4.646 1.00 25.00 H new ATOM 947 N PRO A 63 -7.885 -9.344 -8.689 1.00 25.00 N ATOM 948 CA PRO A 63 -8.762 -8.354 -9.322 1.00 25.00 C ATOM 949 C PRO A 63 -9.820 -7.796 -8.371 1.00 25.00 C ATOM 950 O PRO A 63 -10.039 -8.323 -7.274 1.00 25.00 O ATOM 951 CB PRO A 63 -9.418 -9.159 -10.448 1.00 25.00 C ATOM 952 CG PRO A 63 -9.486 -10.531 -9.911 1.00 25.00 C ATOM 953 CD PRO A 63 -8.180 -10.706 -9.178 1.00 25.00 C ATOM 0 HA PRO A 63 -8.212 -7.475 -9.658 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -10.409 -8.775 -10.689 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -8.829 -9.117 -11.364 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -10.338 -10.655 -9.242 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -9.597 -11.266 -10.708 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -8.270 -11.418 -8.358 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -7.395 -11.077 -9.837 1.00 25.00 H new ATOM 961 N ALA A 64 -10.485 -6.735 -8.803 1.00 25.00 N ATOM 962 CA ALA A 64 -11.565 -6.146 -8.024 1.00 25.00 C ATOM 963 C ALA A 64 -12.714 -7.155 -7.926 1.00 25.00 C ATOM 964 O ALA A 64 -13.035 -7.844 -8.888 1.00 25.00 O ATOM 965 CB ALA A 64 -12.041 -4.846 -8.688 1.00 25.00 C ATOM 0 H ALA A 64 -10.296 -6.264 -9.688 1.00 25.00 H new ATOM 0 HA ALA A 64 -11.212 -5.906 -7.021 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -12.849 -4.411 -8.099 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -11.212 -4.141 -8.743 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -12.401 -5.062 -9.694 1.00 25.00 H new ATOM 971 N LYS A 65 -13.339 -7.223 -6.758 1.00 25.00 N ATOM 972 CA LYS A 65 -14.447 -8.155 -6.518 1.00 25.00 C ATOM 973 C LYS A 65 -15.786 -7.513 -6.876 1.00 25.00 C ATOM 974 O LYS A 65 -16.841 -8.061 -6.588 1.00 25.00 O ATOM 975 CB LYS A 65 -14.446 -8.583 -5.042 1.00 25.00 C ATOM 976 CG LYS A 65 -13.221 -9.410 -4.643 1.00 25.00 C ATOM 977 CD LYS A 65 -13.271 -9.783 -3.165 1.00 25.00 C ATOM 978 CE LYS A 65 -12.093 -10.677 -2.777 1.00 25.00 C ATOM 979 NZ LYS A 65 -12.081 -10.939 -1.295 1.00 25.00 N ATOM 0 H LYS A 65 -13.100 -6.643 -5.954 1.00 25.00 H new ATOM 0 HA LYS A 65 -14.311 -9.031 -7.152 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -14.493 -7.693 -4.415 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -15.347 -9.163 -4.840 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -13.176 -10.315 -5.249 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -12.313 -8.843 -4.848 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -13.258 -8.877 -2.559 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -14.207 -10.298 -2.949 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -12.156 -11.622 -3.317 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -11.158 -10.202 -3.074 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -11.210 -11.447 -1.039 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -12.118 -10.035 -0.782 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -12.907 -11.516 -1.038 1.00 25.00 H new ATOM 993 N SER A 66 -15.734 -6.337 -7.481 1.00 25.00 N ATOM 994 CA SER A 66 -16.926 -5.588 -7.843 1.00 25.00 C ATOM 995 C SER A 66 -16.565 -4.642 -8.975 1.00 25.00 C ATOM 996 O SER A 66 -15.403 -4.283 -9.152 1.00 25.00 O ATOM 997 CB SER A 66 -17.417 -4.777 -6.643 1.00 25.00 C ATOM 998 OG SER A 66 -16.399 -3.900 -6.179 1.00 25.00 O ATOM 0 H SER A 66 -14.861 -5.874 -7.735 1.00 25.00 H new ATOM 0 HA SER A 66 -17.716 -6.272 -8.152 1.00 25.00 H new ATOM 0 HB2 SER A 66 -18.300 -4.202 -6.923 1.00 25.00 H new ATOM 0 HB3 SER A 66 -17.717 -5.451 -5.841 1.00 25.00 H new ATOM 0 HG SER A 66 -16.732 -3.389 -5.412 1.00 25.00 H new ATOM 1004 N GLU A 67 -17.576 -4.210 -9.721 1.00 25.00 N ATOM 1005 CA GLU A 67 -17.405 -3.216 -10.790 1.00 25.00 C ATOM 1006 C GLU A 67 -17.141 -1.824 -10.217 1.00 25.00 C ATOM 1007 O GLU A 67 -16.348 -1.102 -10.939 1.00 25.00 O ATOM 1008 CB GLU A 67 -18.635 -3.184 -11.725 1.00 25.00 C ATOM 1009 CG GLU A 67 -18.315 -3.855 -13.076 1.00 25.00 C ATOM 1010 CD GLU A 67 -18.098 -5.337 -12.922 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -17.062 -5.899 -13.169 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -19.128 -5.981 -12.494 1.00 25.00 O ATOM 0 H GLU A 67 -18.537 -4.534 -9.607 1.00 25.00 H new ATOM 0 HA GLU A 67 -16.535 -3.516 -11.375 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -19.472 -3.695 -11.249 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -18.944 -2.152 -11.891 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -19.133 -3.677 -13.774 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -17.424 -3.399 -13.507 1.00 25.00 H new TER 1019 GLU A 67