USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 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 6 CYS SG : rot 7:sc= -3.11! USER MOD Single : A 8 THR OG1 : rot 150:sc= 1.24 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 0:sc= -0.381 USER MOD Single : A 17 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.027) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00384 X(o=-0.0038,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= -0.0062 (180deg=-0.407) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00202 K(o=-0.002,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -1.587 10.594 9.471 1.00 0.00 N ATOM 32 CA GLY A 3 -1.427 9.200 9.050 1.00 0.00 C ATOM 33 C GLY A 3 -1.464 9.045 7.531 1.00 0.00 C ATOM 34 O GLY A 3 -2.553 8.895 6.951 1.00 0.00 O ATOM 0 HA2 GLY A 3 -0.481 8.815 9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.218 8.596 9.494 1.00 0.00 H new ATOM 38 N ALA A 4 -0.268 9.112 6.896 1.00 0.00 N ATOM 39 CA ALA A 4 -0.090 9.019 5.431 1.00 0.00 C ATOM 40 C ALA A 4 -0.641 7.687 4.900 1.00 0.00 C ATOM 41 O ALA A 4 -0.354 6.624 5.457 1.00 0.00 O ATOM 42 CB ALA A 4 1.403 9.187 5.065 1.00 0.00 C ATOM 0 H ALA A 4 0.612 9.234 7.398 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.653 9.824 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.523 9.117 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.754 10.161 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.986 8.402 5.546 1.00 0.00 H new ATOM 48 N ARG A 5 -1.431 7.769 3.820 1.00 0.00 N ATOM 49 CA ARG A 5 -2.177 6.630 3.275 1.00 0.00 C ATOM 50 C ARG A 5 -2.198 6.671 1.737 1.00 0.00 C ATOM 51 O ARG A 5 -2.080 7.741 1.121 1.00 0.00 O ATOM 52 CB ARG A 5 -3.627 6.632 3.840 1.00 0.00 C ATOM 53 CG ARG A 5 -4.433 7.920 3.526 1.00 0.00 C ATOM 54 CD ARG A 5 -5.838 7.928 4.145 1.00 0.00 C ATOM 55 NE ARG A 5 -5.797 7.889 5.617 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.679 8.469 6.443 1.00 0.00 C ATOM 57 NH1 ARG A 5 -7.681 9.203 5.968 1.00 0.00 N ATOM 58 NH2 ARG A 5 -6.546 8.305 7.747 1.00 0.00 N ATOM 0 H ARG A 5 -1.570 8.634 3.298 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.677 5.710 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.163 5.774 3.435 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.583 6.499 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -3.879 8.784 3.891 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.520 8.031 2.445 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.371 8.822 3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.401 7.071 3.776 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.028 7.374 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.787 9.331 4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.344 9.638 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.779 7.742 8.115 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.211 8.741 8.386 1.00 0.00 H new ATOM 72 N CYS A 6 -2.334 5.482 1.141 1.00 0.00 N ATOM 73 CA CYS A 6 -2.480 5.280 -0.306 1.00 0.00 C ATOM 74 C CYS A 6 -3.533 4.191 -0.554 1.00 0.00 C ATOM 75 O CYS A 6 -3.701 3.280 0.261 1.00 0.00 O ATOM 76 CB CYS A 6 -1.128 4.888 -0.947 1.00 0.00 C ATOM 77 SG CYS A 6 0.145 6.170 -0.839 1.00 0.00 S ATOM 0 H CYS A 6 -2.346 4.608 1.666 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.805 6.212 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.759 3.984 -0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.294 4.644 -1.996 1.00 0.00 H new ATOM 0 HG CYS A 6 -0.289 7.152 -0.105 1.00 0.00 H new ATOM 83 N ARG A 7 -4.248 4.302 -1.675 1.00 0.00 N ATOM 84 CA ARG A 7 -5.318 3.369 -2.048 1.00 0.00 C ATOM 85 C ARG A 7 -4.856 2.490 -3.216 1.00 0.00 C ATOM 86 O ARG A 7 -3.994 2.891 -3.997 1.00 0.00 O ATOM 87 CB ARG A 7 -6.594 4.162 -2.427 1.00 0.00 C ATOM 88 CG ARG A 7 -7.844 3.288 -2.670 1.00 0.00 C ATOM 89 CD ARG A 7 -9.094 4.121 -2.989 1.00 0.00 C ATOM 90 NE ARG A 7 -10.293 3.285 -3.168 1.00 0.00 N ATOM 91 CZ ARG A 7 -10.587 2.572 -4.266 1.00 0.00 C ATOM 92 NH1 ARG A 7 -9.791 2.605 -5.333 1.00 0.00 N ATOM 93 NH2 ARG A 7 -11.684 1.834 -4.296 1.00 0.00 N ATOM 0 H ARG A 7 -4.101 5.047 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.551 2.723 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.813 4.874 -1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.392 4.742 -3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.649 2.602 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.034 2.678 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.268 4.834 -2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.920 4.701 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.955 3.245 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.947 3.177 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.026 2.058 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -12.304 1.808 -3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.911 1.291 -5.129 1.00 0.00 H new ATOM 107 N THR A 8 -5.416 1.282 -3.299 1.00 0.00 N ATOM 108 CA THR A 8 -5.204 0.368 -4.426 1.00 0.00 C ATOM 109 C THR A 8 -6.229 0.641 -5.540 1.00 0.00 C ATOM 110 O THR A 8 -7.442 0.730 -5.286 1.00 0.00 O ATOM 111 CB THR A 8 -5.321 -1.102 -3.937 1.00 0.00 C ATOM 112 OG1 THR A 8 -6.529 -1.242 -3.189 1.00 0.00 O ATOM 113 CG2 THR A 8 -4.130 -1.513 -3.062 1.00 0.00 C ATOM 0 H THR A 8 -6.035 0.906 -2.581 1.00 0.00 H new ATOM 0 HA THR A 8 -4.205 0.532 -4.831 1.00 0.00 H new ATOM 0 HB THR A 8 -5.327 -1.753 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.866 -2.158 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.253 -2.548 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.208 -1.418 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.082 -0.866 -2.186 1.00 0.00 H new ATOM 121 N LEU A 9 -5.714 0.779 -6.764 1.00 0.00 N ATOM 122 CA LEU A 9 -6.511 1.007 -7.974 1.00 0.00 C ATOM 123 C LEU A 9 -7.117 -0.315 -8.460 1.00 0.00 C ATOM 124 O LEU A 9 -8.328 -0.422 -8.659 1.00 0.00 O ATOM 125 CB LEU A 9 -5.596 1.606 -9.074 1.00 0.00 C ATOM 126 CG LEU A 9 -4.934 2.974 -8.732 1.00 0.00 C ATOM 127 CD1 LEU A 9 -3.881 3.374 -9.790 1.00 0.00 C ATOM 128 CD2 LEU A 9 -6.011 4.065 -8.563 1.00 0.00 C ATOM 0 H LEU A 9 -4.711 0.735 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.322 1.701 -7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.807 0.887 -9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.184 1.725 -9.984 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.407 2.869 -7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.440 4.333 -9.520 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.100 2.614 -9.832 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.359 3.457 -10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.532 5.015 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.575 4.166 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.687 3.786 -7.755 1.00 0.00 H new ATOM 140 N TYR A 10 -6.246 -1.321 -8.644 1.00 0.00 N ATOM 141 CA TYR A 10 -6.615 -2.624 -9.233 1.00 0.00 C ATOM 142 C TYR A 10 -5.994 -3.765 -8.396 1.00 0.00 C ATOM 143 O TYR A 10 -4.978 -3.539 -7.720 1.00 0.00 O ATOM 144 CB TYR A 10 -6.115 -2.707 -10.710 1.00 0.00 C ATOM 145 CG TYR A 10 -6.700 -1.631 -11.644 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.974 -1.772 -12.202 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.972 -0.485 -11.972 1.00 0.00 C ATOM 148 CE1 TYR A 10 -8.502 -0.801 -13.035 1.00 0.00 C ATOM 149 CE2 TYR A 10 -6.498 0.486 -12.801 1.00 0.00 C ATOM 150 CZ TYR A 10 -7.756 0.320 -13.337 1.00 0.00 C ATOM 151 OH TYR A 10 -8.273 1.280 -14.176 1.00 0.00 O ATOM 0 H TYR A 10 -5.261 -1.255 -8.388 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.700 -2.725 -9.227 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.028 -2.625 -10.717 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.363 -3.690 -11.109 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -8.556 -2.654 -11.979 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.978 -0.356 -11.569 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.493 -0.920 -13.447 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.925 1.373 -13.028 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.622 2.004 -14.285 1.00 0.00 H new ATOM 161 N PRO A 11 -6.586 -5.007 -8.417 1.00 0.00 N ATOM 162 CA PRO A 11 -5.948 -6.180 -7.808 1.00 0.00 C ATOM 163 C PRO A 11 -4.848 -6.741 -8.731 1.00 0.00 C ATOM 164 O PRO A 11 -5.092 -7.633 -9.561 1.00 0.00 O ATOM 165 CB PRO A 11 -7.125 -7.162 -7.597 1.00 0.00 C ATOM 166 CG PRO A 11 -8.127 -6.810 -8.666 1.00 0.00 C ATOM 167 CD PRO A 11 -7.902 -5.351 -9.035 1.00 0.00 C ATOM 0 HA PRO A 11 -5.433 -5.967 -6.871 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.796 -8.197 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.556 -7.053 -6.602 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.999 -7.451 -9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.144 -6.962 -8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.881 -5.214 -10.116 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.700 -4.716 -8.649 1.00 0.00 H new ATOM 175 N PHE A 12 -3.640 -6.166 -8.614 1.00 0.00 N ATOM 176 CA PHE A 12 -2.511 -6.518 -9.488 1.00 0.00 C ATOM 177 C PHE A 12 -1.665 -7.630 -8.838 1.00 0.00 C ATOM 178 O PHE A 12 -0.862 -7.379 -7.931 1.00 0.00 O ATOM 179 CB PHE A 12 -1.660 -5.256 -9.816 1.00 0.00 C ATOM 180 CG PHE A 12 -0.471 -5.516 -10.734 1.00 0.00 C ATOM 181 CD1 PHE A 12 -0.651 -6.115 -11.981 1.00 0.00 C ATOM 182 CD2 PHE A 12 0.834 -5.175 -10.351 1.00 0.00 C ATOM 183 CE1 PHE A 12 0.425 -6.364 -12.815 1.00 0.00 C ATOM 184 CE2 PHE A 12 1.908 -5.425 -11.188 1.00 0.00 C ATOM 185 CZ PHE A 12 1.702 -6.020 -12.419 1.00 0.00 C ATOM 0 H PHE A 12 -3.421 -5.452 -7.919 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.895 -6.903 -10.433 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.304 -4.509 -10.280 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.295 -4.827 -8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.646 -6.389 -12.301 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.004 -4.711 -9.390 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.265 -6.828 -13.777 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.907 -5.155 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.540 -6.216 -13.071 1.00 0.00 H new ATOM 195 N SER A 13 -1.884 -8.867 -9.325 1.00 0.00 N ATOM 196 CA SER A 13 -1.118 -10.060 -8.954 1.00 0.00 C ATOM 197 C SER A 13 -1.196 -11.057 -10.127 1.00 0.00 C ATOM 198 O SER A 13 -1.781 -12.140 -10.006 1.00 0.00 O ATOM 199 CB SER A 13 -1.648 -10.688 -7.624 1.00 0.00 C ATOM 200 OG SER A 13 -1.558 -9.780 -6.537 1.00 0.00 O ATOM 0 H SER A 13 -2.619 -9.063 -10.005 1.00 0.00 H new ATOM 0 HA SER A 13 -0.078 -9.793 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.686 -10.995 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.076 -11.587 -7.394 1.00 0.00 H new ATOM 0 HG SER A 13 -1.181 -8.931 -6.850 1.00 0.00 H new ATOM 206 N GLY A 14 -0.636 -10.635 -11.289 1.00 0.00 N ATOM 207 CA GLY A 14 -0.609 -11.462 -12.509 1.00 0.00 C ATOM 208 C GLY A 14 0.202 -12.739 -12.327 1.00 0.00 C ATOM 209 O GLY A 14 -0.097 -13.785 -12.919 1.00 0.00 O ATOM 0 H GLY A 14 -0.197 -9.721 -11.400 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.629 -11.720 -12.792 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.188 -10.881 -13.329 1.00 0.00 H new ATOM 213 N GLU A 15 1.250 -12.626 -11.506 1.00 0.00 N ATOM 214 CA GLU A 15 2.058 -13.752 -11.030 1.00 0.00 C ATOM 215 C GLU A 15 2.132 -13.687 -9.498 1.00 0.00 C ATOM 216 O GLU A 15 2.264 -12.591 -8.930 1.00 0.00 O ATOM 217 CB GLU A 15 3.478 -13.700 -11.663 1.00 0.00 C ATOM 218 CG GLU A 15 4.510 -14.695 -11.087 1.00 0.00 C ATOM 219 CD GLU A 15 4.137 -16.176 -11.292 1.00 0.00 C ATOM 220 OE1 GLU A 15 4.344 -16.697 -12.410 1.00 0.00 O ATOM 221 OE2 GLU A 15 3.649 -16.828 -10.337 1.00 0.00 O ATOM 0 H GLU A 15 1.568 -11.726 -11.145 1.00 0.00 H new ATOM 0 HA GLU A 15 1.600 -14.695 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.384 -13.882 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.871 -12.690 -11.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.478 -14.507 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.626 -14.505 -10.020 1.00 0.00 H new ATOM 228 N ARG A 16 2.009 -14.854 -8.848 1.00 0.00 N ATOM 229 CA ARG A 16 2.123 -14.983 -7.387 1.00 0.00 C ATOM 230 C ARG A 16 3.575 -14.663 -6.948 1.00 0.00 C ATOM 231 O ARG A 16 3.799 -13.825 -6.061 1.00 0.00 O ATOM 232 CB ARG A 16 1.735 -16.423 -6.941 1.00 0.00 C ATOM 233 CG ARG A 16 1.714 -16.640 -5.402 1.00 0.00 C ATOM 234 CD ARG A 16 1.517 -18.119 -5.010 1.00 0.00 C ATOM 235 NE ARG A 16 0.322 -18.719 -5.636 1.00 0.00 N ATOM 236 CZ ARG A 16 0.009 -20.024 -5.613 1.00 0.00 C ATOM 237 NH1 ARG A 16 0.748 -20.894 -4.921 1.00 0.00 N ATOM 238 NH2 ARG A 16 -1.055 -20.449 -6.268 1.00 0.00 N ATOM 0 H ARG A 16 1.827 -15.738 -9.323 1.00 0.00 H new ATOM 0 HA ARG A 16 1.441 -14.277 -6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.749 -16.660 -7.342 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.438 -17.128 -7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.649 -16.277 -4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.913 -16.043 -4.966 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.400 -18.689 -5.301 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.432 -18.195 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.317 -18.092 -6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.563 -20.570 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.498 -21.883 -4.913 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.633 -19.787 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.300 -21.439 -6.256 1.00 0.00 H new ATOM 252 N HIS A 17 4.535 -15.351 -7.609 1.00 0.00 N ATOM 253 CA HIS A 17 5.989 -15.238 -7.369 1.00 0.00 C ATOM 254 C HIS A 17 6.377 -15.724 -5.951 1.00 0.00 C ATOM 255 O HIS A 17 6.874 -16.843 -5.780 1.00 0.00 O ATOM 256 CB HIS A 17 6.513 -13.795 -7.668 1.00 0.00 C ATOM 257 CG HIS A 17 7.998 -13.598 -7.446 1.00 0.00 C ATOM 258 ND1 HIS A 17 8.932 -14.146 -8.296 1.00 0.00 N ATOM 259 CD2 HIS A 17 8.649 -12.931 -6.457 1.00 0.00 C ATOM 260 CE1 HIS A 17 10.114 -13.803 -7.807 1.00 0.00 C ATOM 261 NE2 HIS A 17 9.988 -13.070 -6.693 1.00 0.00 N ATOM 0 H HIS A 17 4.310 -16.020 -8.346 1.00 0.00 H new ATOM 0 HA HIS A 17 6.487 -15.904 -8.073 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.279 -13.546 -8.703 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.970 -13.089 -7.040 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.194 -12.393 -5.639 1.00 0.00 H new ATOM 0 HE1 HIS A 17 11.059 -14.079 -8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.747 -12.688 -6.128 1.00 0.00 H new ATOM 269 N GLY A 18 6.124 -14.878 -4.943 1.00 0.00 N ATOM 270 CA GLY A 18 6.472 -15.161 -3.557 1.00 0.00 C ATOM 271 C GLY A 18 6.881 -13.895 -2.824 1.00 0.00 C ATOM 272 O GLY A 18 6.175 -13.424 -1.920 1.00 0.00 O ATOM 0 H GLY A 18 5.669 -13.975 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.621 -15.618 -3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 18 7.288 -15.883 -3.524 1.00 0.00 H new ATOM 276 N GLN A 19 8.023 -13.322 -3.249 1.00 0.00 N ATOM 277 CA GLN A 19 8.591 -12.102 -2.642 1.00 0.00 C ATOM 278 C GLN A 19 7.804 -10.864 -3.121 1.00 0.00 C ATOM 279 O GLN A 19 7.941 -10.431 -4.272 1.00 0.00 O ATOM 280 CB GLN A 19 10.108 -11.966 -2.986 1.00 0.00 C ATOM 281 CG GLN A 19 10.969 -13.206 -2.660 1.00 0.00 C ATOM 282 CD GLN A 19 10.823 -13.709 -1.221 1.00 0.00 C ATOM 283 OE1 GLN A 19 9.987 -14.564 -0.935 1.00 0.00 O ATOM 284 NE2 GLN A 19 11.608 -13.166 -0.304 1.00 0.00 N ATOM 0 H GLN A 19 8.578 -13.691 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 19 8.503 -12.174 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.205 -11.745 -4.049 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.512 -11.110 -2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.700 -14.011 -3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.016 -12.967 -2.845 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.292 -12.459 -0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.529 -13.455 0.671 1.00 0.00 H new ATOM 293 N GLY A 20 6.948 -10.335 -2.235 1.00 0.00 N ATOM 294 CA GLY A 20 6.094 -9.193 -2.546 1.00 0.00 C ATOM 295 C GLY A 20 4.948 -9.097 -1.559 1.00 0.00 C ATOM 296 O GLY A 20 5.002 -9.700 -0.479 1.00 0.00 O ATOM 0 H GLY A 20 6.833 -10.690 -1.286 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.681 -8.275 -2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.702 -9.291 -3.558 1.00 0.00 H new ATOM 300 N LEU A 21 3.907 -8.338 -1.924 1.00 0.00 N ATOM 301 CA LEU A 21 2.689 -8.194 -1.111 1.00 0.00 C ATOM 302 C LEU A 21 1.476 -8.113 -2.057 1.00 0.00 C ATOM 303 O LEU A 21 1.421 -7.225 -2.915 1.00 0.00 O ATOM 304 CB LEU A 21 2.775 -6.930 -0.202 1.00 0.00 C ATOM 305 CG LEU A 21 1.714 -6.845 0.940 1.00 0.00 C ATOM 306 CD1 LEU A 21 1.922 -7.978 1.972 1.00 0.00 C ATOM 307 CD2 LEU A 21 1.716 -5.459 1.627 1.00 0.00 C ATOM 0 H LEU A 21 3.884 -7.805 -2.793 1.00 0.00 H new ATOM 0 HA LEU A 21 2.581 -9.056 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.768 -6.894 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.677 -6.045 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 21 0.733 -6.976 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.171 -7.897 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.826 -8.944 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.916 -7.893 2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.963 -5.443 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.698 -5.269 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.488 -4.688 0.891 1.00 0.00 H new ATOM 319 N ARG A 22 0.530 -9.064 -1.922 1.00 0.00 N ATOM 320 CA ARG A 22 -0.683 -9.115 -2.761 1.00 0.00 C ATOM 321 C ARG A 22 -1.690 -8.064 -2.269 1.00 0.00 C ATOM 322 O ARG A 22 -2.098 -8.079 -1.101 1.00 0.00 O ATOM 323 CB ARG A 22 -1.313 -10.536 -2.740 1.00 0.00 C ATOM 324 CG ARG A 22 -2.654 -10.663 -3.517 1.00 0.00 C ATOM 325 CD ARG A 22 -3.195 -12.106 -3.570 1.00 0.00 C ATOM 326 NE ARG A 22 -3.325 -12.707 -2.222 1.00 0.00 N ATOM 327 CZ ARG A 22 -4.395 -12.624 -1.416 1.00 0.00 C ATOM 328 NH1 ARG A 22 -5.462 -11.937 -1.771 1.00 0.00 N ATOM 329 NH2 ARG A 22 -4.369 -13.228 -0.239 1.00 0.00 N ATOM 0 H ARG A 22 0.585 -9.814 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.410 -8.892 -3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.597 -11.242 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.480 -10.829 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.399 -10.020 -3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.512 -10.298 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.167 -12.109 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.529 -12.720 -4.176 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.525 -13.234 -1.873 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.484 -11.458 -2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.266 -11.885 -1.146 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.541 -13.750 0.048 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.177 -13.171 0.381 1.00 0.00 H new ATOM 343 N PHE A 23 -2.054 -7.139 -3.172 1.00 0.00 N ATOM 344 CA PHE A 23 -2.981 -6.032 -2.893 1.00 0.00 C ATOM 345 C PHE A 23 -4.199 -6.110 -3.836 1.00 0.00 C ATOM 346 O PHE A 23 -4.043 -6.278 -5.055 1.00 0.00 O ATOM 347 CB PHE A 23 -2.244 -4.665 -3.012 1.00 0.00 C ATOM 348 CG PHE A 23 -1.541 -4.393 -4.352 1.00 0.00 C ATOM 349 CD1 PHE A 23 -0.272 -4.917 -4.618 1.00 0.00 C ATOM 350 CD2 PHE A 23 -2.134 -3.596 -5.339 1.00 0.00 C ATOM 351 CE1 PHE A 23 0.375 -4.656 -5.814 1.00 0.00 C ATOM 352 CE2 PHE A 23 -1.481 -3.334 -6.534 1.00 0.00 C ATOM 353 CZ PHE A 23 -0.227 -3.863 -6.767 1.00 0.00 C ATOM 0 H PHE A 23 -1.707 -7.140 -4.131 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.347 -6.119 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.967 -3.868 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.502 -4.604 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.212 -5.536 -3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.115 -3.179 -5.167 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.353 -5.075 -6.000 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.954 -2.716 -7.283 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.282 -3.655 -7.696 1.00 0.00 H new ATOM 363 N ALA A 24 -5.405 -6.030 -3.249 1.00 0.00 N ATOM 364 CA ALA A 24 -6.689 -6.052 -3.986 1.00 0.00 C ATOM 365 C ALA A 24 -7.295 -4.637 -4.056 1.00 0.00 C ATOM 366 O ALA A 24 -7.030 -3.818 -3.185 1.00 0.00 O ATOM 367 CB ALA A 24 -7.660 -7.030 -3.306 1.00 0.00 C ATOM 0 H ALA A 24 -5.522 -5.947 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.509 -6.390 -5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.604 -7.044 -3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.227 -8.030 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.839 -6.711 -2.279 1.00 0.00 H new ATOM 373 N ALA A 25 -8.120 -4.378 -5.094 1.00 0.00 N ATOM 374 CA ALA A 25 -8.767 -3.057 -5.334 1.00 0.00 C ATOM 375 C ALA A 25 -9.643 -2.617 -4.141 1.00 0.00 C ATOM 376 O ALA A 25 -10.577 -3.334 -3.755 1.00 0.00 O ATOM 377 CB ALA A 25 -9.620 -3.116 -6.611 1.00 0.00 C ATOM 0 H ALA A 25 -8.361 -5.078 -5.795 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.973 -2.319 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.090 -2.147 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.985 -3.365 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.391 -3.878 -6.499 1.00 0.00 H new ATOM 383 N GLY A 26 -9.322 -1.442 -3.566 1.00 0.00 N ATOM 384 CA GLY A 26 -10.070 -0.862 -2.438 1.00 0.00 C ATOM 385 C GLY A 26 -9.285 -0.839 -1.130 1.00 0.00 C ATOM 386 O GLY A 26 -9.579 -0.023 -0.243 1.00 0.00 O ATOM 0 H GLY A 26 -8.536 -0.869 -3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.364 0.156 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -10.988 -1.431 -2.291 1.00 0.00 H new ATOM 390 N GLU A 27 -8.292 -1.741 -1.014 1.00 0.00 N ATOM 391 CA GLU A 27 -7.414 -1.840 0.168 1.00 0.00 C ATOM 392 C GLU A 27 -6.620 -0.535 0.395 1.00 0.00 C ATOM 393 O GLU A 27 -5.977 -0.015 -0.531 1.00 0.00 O ATOM 394 CB GLU A 27 -6.429 -3.036 0.017 1.00 0.00 C ATOM 395 CG GLU A 27 -7.094 -4.428 -0.042 1.00 0.00 C ATOM 396 CD GLU A 27 -7.841 -4.799 1.250 1.00 0.00 C ATOM 397 OE1 GLU A 27 -7.177 -5.174 2.242 1.00 0.00 O ATOM 398 OE2 GLU A 27 -9.089 -4.702 1.293 1.00 0.00 O ATOM 0 H GLU A 27 -8.075 -2.424 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.052 -2.006 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.843 -2.892 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.730 -3.019 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.793 -4.454 -0.878 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.330 -5.180 -0.241 1.00 0.00 H new ATOM 405 N LEU A 28 -6.687 -0.013 1.630 1.00 0.00 N ATOM 406 CA LEU A 28 -5.915 1.161 2.056 1.00 0.00 C ATOM 407 C LEU A 28 -4.642 0.686 2.766 1.00 0.00 C ATOM 408 O LEU A 28 -4.711 -0.141 3.683 1.00 0.00 O ATOM 409 CB LEU A 28 -6.760 2.081 2.983 1.00 0.00 C ATOM 410 CG LEU A 28 -8.047 2.696 2.335 1.00 0.00 C ATOM 411 CD1 LEU A 28 -8.818 3.590 3.328 1.00 0.00 C ATOM 412 CD2 LEU A 28 -7.711 3.477 1.043 1.00 0.00 C ATOM 0 H LEU A 28 -7.282 -0.397 2.364 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.643 1.751 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.056 1.508 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.126 2.896 3.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.696 1.862 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.703 3.997 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.120 2.998 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.176 4.408 3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.626 3.890 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.021 4.288 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.249 2.804 0.321 1.00 0.00 H new ATOM 424 N ILE A 29 -3.486 1.162 2.278 1.00 0.00 N ATOM 425 CA ILE A 29 -2.162 0.904 2.872 1.00 0.00 C ATOM 426 C ILE A 29 -1.713 2.183 3.598 1.00 0.00 C ATOM 427 O ILE A 29 -1.573 3.237 2.960 1.00 0.00 O ATOM 428 CB ILE A 29 -1.092 0.485 1.761 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.400 -0.933 1.139 1.00 0.00 C ATOM 430 CG2 ILE A 29 0.353 0.514 2.321 1.00 0.00 C ATOM 431 CD1 ILE A 29 -2.603 -1.006 0.214 1.00 0.00 C ATOM 0 H ILE A 29 -3.443 1.748 1.444 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.233 0.071 3.572 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.173 1.226 0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.521 -1.264 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.550 -1.641 1.954 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.053 0.223 1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.590 1.521 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.434 -0.182 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.718 -2.026 -0.153 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.500 -0.713 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.455 -0.331 -0.629 1.00 0.00 H new ATOM 443 N THR A 30 -1.553 2.109 4.925 1.00 0.00 N ATOM 444 CA THR A 30 -1.060 3.238 5.731 1.00 0.00 C ATOM 445 C THR A 30 0.475 3.213 5.758 1.00 0.00 C ATOM 446 O THR A 30 1.081 2.290 6.319 1.00 0.00 O ATOM 447 CB THR A 30 -1.639 3.205 7.188 1.00 0.00 C ATOM 448 OG1 THR A 30 -3.076 3.220 7.118 1.00 0.00 O ATOM 449 CG2 THR A 30 -1.159 4.396 8.047 1.00 0.00 C ATOM 0 H THR A 30 -1.759 1.272 5.470 1.00 0.00 H new ATOM 0 HA THR A 30 -1.401 4.165 5.271 1.00 0.00 H new ATOM 0 HB THR A 30 -1.277 2.295 7.666 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.448 3.198 8.024 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.591 4.322 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.072 4.377 8.120 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.476 5.330 7.583 1.00 0.00 H new ATOM 457 N LEU A 31 1.088 4.212 5.102 1.00 0.00 N ATOM 458 CA LEU A 31 2.547 4.354 4.997 1.00 0.00 C ATOM 459 C LEU A 31 3.167 4.629 6.377 1.00 0.00 C ATOM 460 O LEU A 31 2.888 5.656 7.009 1.00 0.00 O ATOM 461 CB LEU A 31 2.921 5.486 3.993 1.00 0.00 C ATOM 462 CG LEU A 31 2.643 5.190 2.478 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.136 5.050 2.169 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.286 6.272 1.587 1.00 0.00 C ATOM 0 H LEU A 31 0.576 4.953 4.624 1.00 0.00 H new ATOM 0 HA LEU A 31 2.953 3.415 4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.373 6.386 4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.981 5.710 4.109 1.00 0.00 H new ATOM 0 HG LEU A 31 3.102 4.228 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.000 4.846 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.720 4.229 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.624 5.976 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.082 6.049 0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.868 7.247 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.363 6.286 1.752 1.00 0.00 H new ATOM 476 N LEU A 32 3.997 3.680 6.835 1.00 0.00 N ATOM 477 CA LEU A 32 4.716 3.780 8.116 1.00 0.00 C ATOM 478 C LEU A 32 6.009 4.575 7.906 1.00 0.00 C ATOM 479 O LEU A 32 6.434 5.343 8.776 1.00 0.00 O ATOM 480 CB LEU A 32 5.044 2.365 8.662 1.00 0.00 C ATOM 481 CG LEU A 32 3.832 1.382 8.793 1.00 0.00 C ATOM 482 CD1 LEU A 32 4.280 0.026 9.379 1.00 0.00 C ATOM 483 CD2 LEU A 32 2.674 1.998 9.620 1.00 0.00 C ATOM 0 H LEU A 32 4.190 2.818 6.326 1.00 0.00 H new ATOM 0 HA LEU A 32 4.086 4.292 8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.788 1.908 8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.506 2.474 9.643 1.00 0.00 H new ATOM 0 HG LEU A 32 3.448 1.205 7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.419 -0.638 9.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.026 -0.425 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.712 0.182 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.854 1.283 9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.029 2.236 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.324 2.908 9.133 1.00 0.00 H new ATOM 495 N GLN A 33 6.623 4.367 6.726 1.00 0.00 N ATOM 496 CA GLN A 33 7.877 5.017 6.326 1.00 0.00 C ATOM 497 C GLN A 33 7.620 5.905 5.100 1.00 0.00 C ATOM 498 O GLN A 33 6.951 5.468 4.155 1.00 0.00 O ATOM 499 CB GLN A 33 8.943 3.936 5.991 1.00 0.00 C ATOM 500 CG GLN A 33 9.221 2.927 7.127 1.00 0.00 C ATOM 501 CD GLN A 33 9.737 3.581 8.413 1.00 0.00 C ATOM 502 OE1 GLN A 33 10.426 4.605 8.386 1.00 0.00 O ATOM 503 NE2 GLN A 33 9.421 2.991 9.557 1.00 0.00 N ATOM 0 H GLN A 33 6.254 3.733 6.017 1.00 0.00 H new ATOM 0 HA GLN A 33 8.248 5.635 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.618 3.387 5.108 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.877 4.435 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.304 2.381 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.952 2.196 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.850 2.146 9.554 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.748 3.382 10.440 1.00 0.00 H new ATOM 512 N VAL A 34 8.175 7.134 5.118 1.00 0.00 N ATOM 513 CA VAL A 34 8.052 8.113 4.019 1.00 0.00 C ATOM 514 C VAL A 34 9.376 8.924 3.861 1.00 0.00 C ATOM 515 O VAL A 34 9.416 10.126 4.148 1.00 0.00 O ATOM 516 CB VAL A 34 6.798 9.085 4.216 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.466 8.412 3.787 1.00 0.00 C ATOM 518 CG2 VAL A 34 6.691 9.595 5.687 1.00 0.00 C ATOM 0 H VAL A 34 8.727 7.478 5.904 1.00 0.00 H new ATOM 0 HA VAL A 34 7.875 7.555 3.099 1.00 0.00 H new ATOM 0 HB VAL A 34 6.968 9.942 3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.641 9.109 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.520 8.137 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.300 7.518 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.827 10.253 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.576 8.745 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.596 10.144 5.948 1.00 0.00 H new ATOM 528 N PRO A 35 10.516 8.260 3.442 1.00 0.00 N ATOM 529 CA PRO A 35 11.802 8.951 3.153 1.00 0.00 C ATOM 530 C PRO A 35 11.796 9.681 1.783 1.00 0.00 C ATOM 531 O PRO A 35 10.765 9.753 1.097 1.00 0.00 O ATOM 532 CB PRO A 35 12.853 7.791 3.183 1.00 0.00 C ATOM 533 CG PRO A 35 12.110 6.593 3.699 1.00 0.00 C ATOM 534 CD PRO A 35 10.684 6.798 3.263 1.00 0.00 C ATOM 0 HA PRO A 35 12.014 9.742 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.259 7.603 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.694 8.040 3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.519 5.669 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.184 6.521 4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.525 6.492 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.984 6.229 3.875 1.00 0.00 H new ATOM 542 N ASP A 36 12.973 10.204 1.395 1.00 0.00 N ATOM 543 CA ASP A 36 13.168 10.917 0.116 1.00 0.00 C ATOM 544 C ASP A 36 13.269 9.918 -1.049 1.00 0.00 C ATOM 545 O ASP A 36 14.312 9.276 -1.235 1.00 0.00 O ATOM 546 CB ASP A 36 14.451 11.796 0.177 1.00 0.00 C ATOM 547 CG ASP A 36 14.359 12.932 1.202 1.00 0.00 C ATOM 548 OD1 ASP A 36 13.627 13.915 0.950 1.00 0.00 O ATOM 549 OD2 ASP A 36 15.006 12.852 2.268 1.00 0.00 O ATOM 0 H ASP A 36 13.820 10.145 1.961 1.00 0.00 H new ATOM 0 HA ASP A 36 12.306 11.562 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.305 11.164 0.421 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.640 12.220 -0.809 1.00 0.00 H new ATOM 554 N GLY A 37 12.166 9.762 -1.798 1.00 0.00 N ATOM 555 CA GLY A 37 12.147 8.903 -2.985 1.00 0.00 C ATOM 556 C GLY A 37 10.736 8.564 -3.440 1.00 0.00 C ATOM 557 O GLY A 37 9.806 9.334 -3.195 1.00 0.00 O ATOM 0 H GLY A 37 11.277 10.221 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 37 12.677 9.401 -3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.687 7.981 -2.770 1.00 0.00 H new ATOM 561 N GLY A 38 10.594 7.424 -4.142 1.00 0.00 N ATOM 562 CA GLY A 38 9.285 6.919 -4.585 1.00 0.00 C ATOM 563 C GLY A 38 8.867 5.662 -3.832 1.00 0.00 C ATOM 564 O GLY A 38 7.668 5.395 -3.672 1.00 0.00 O ATOM 0 H GLY A 38 11.379 6.832 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.532 7.693 -4.442 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.323 6.705 -5.653 1.00 0.00 H new ATOM 568 N TRP A 39 9.865 4.882 -3.381 1.00 0.00 N ATOM 569 CA TRP A 39 9.647 3.623 -2.638 1.00 0.00 C ATOM 570 C TRP A 39 9.359 3.941 -1.163 1.00 0.00 C ATOM 571 O TRP A 39 10.248 4.404 -0.435 1.00 0.00 O ATOM 572 CB TRP A 39 10.891 2.698 -2.738 1.00 0.00 C ATOM 573 CG TRP A 39 11.182 2.152 -4.126 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.649 2.843 -5.212 1.00 0.00 C ATOM 575 CD2 TRP A 39 11.049 0.787 -4.557 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.800 1.996 -6.279 1.00 0.00 N ATOM 577 CE2 TRP A 39 11.434 0.734 -5.907 1.00 0.00 C ATOM 578 CE3 TRP A 39 10.626 -0.395 -3.931 1.00 0.00 C ATOM 579 CZ2 TRP A 39 11.418 -0.450 -6.643 1.00 0.00 C ATOM 580 CZ3 TRP A 39 10.616 -1.568 -4.665 1.00 0.00 C ATOM 581 CH2 TRP A 39 11.003 -1.589 -6.009 1.00 0.00 C ATOM 0 H TRP A 39 10.850 5.106 -3.521 1.00 0.00 H new ATOM 0 HA TRP A 39 8.795 3.104 -3.078 1.00 0.00 H new ATOM 0 HB2 TRP A 39 11.764 3.252 -2.392 1.00 0.00 H new ATOM 0 HB3 TRP A 39 10.755 1.859 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.867 3.901 -5.226 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.133 2.266 -7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 39 10.314 -0.390 -2.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.723 -0.467 -7.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 10.303 -2.486 -4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 39 10.974 -2.520 -6.555 1.00 0.00 H new ATOM 592 N TRP A 40 8.113 3.708 -0.738 1.00 0.00 N ATOM 593 CA TRP A 40 7.670 3.915 0.653 1.00 0.00 C ATOM 594 C TRP A 40 7.039 2.619 1.196 1.00 0.00 C ATOM 595 O TRP A 40 6.291 1.936 0.480 1.00 0.00 O ATOM 596 CB TRP A 40 6.654 5.086 0.727 1.00 0.00 C ATOM 597 CG TRP A 40 7.177 6.413 0.209 1.00 0.00 C ATOM 598 CD1 TRP A 40 8.341 7.033 0.564 1.00 0.00 C ATOM 599 CD2 TRP A 40 6.539 7.288 -0.731 1.00 0.00 C ATOM 600 NE1 TRP A 40 8.464 8.227 -0.093 1.00 0.00 N ATOM 601 CE2 TRP A 40 7.375 8.403 -0.897 1.00 0.00 C ATOM 602 CE3 TRP A 40 5.344 7.227 -1.456 1.00 0.00 C ATOM 603 CZ2 TRP A 40 7.056 9.455 -1.749 1.00 0.00 C ATOM 604 CZ3 TRP A 40 5.031 8.274 -2.301 1.00 0.00 C ATOM 605 CH2 TRP A 40 5.880 9.374 -2.441 1.00 0.00 C ATOM 0 H TRP A 40 7.373 3.367 -1.352 1.00 0.00 H new ATOM 0 HA TRP A 40 8.533 4.172 1.267 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.765 4.814 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.342 5.214 1.764 1.00 0.00 H new ATOM 0 HD1 TRP A 40 9.062 6.637 1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 40 9.242 8.879 0.002 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.681 6.380 -1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.713 10.305 -1.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.111 8.241 -2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.602 10.176 -3.109 1.00 0.00 H new ATOM 616 N GLU A 41 7.344 2.277 2.465 1.00 0.00 N ATOM 617 CA GLU A 41 6.811 1.068 3.112 1.00 0.00 C ATOM 618 C GLU A 41 5.556 1.402 3.920 1.00 0.00 C ATOM 619 O GLU A 41 5.503 2.423 4.618 1.00 0.00 O ATOM 620 CB GLU A 41 7.874 0.399 4.012 1.00 0.00 C ATOM 621 CG GLU A 41 9.147 -0.037 3.264 1.00 0.00 C ATOM 622 CD GLU A 41 9.993 -1.048 4.050 1.00 0.00 C ATOM 623 OE1 GLU A 41 9.691 -2.263 3.989 1.00 0.00 O ATOM 624 OE2 GLU A 41 10.953 -0.646 4.734 1.00 0.00 O ATOM 0 H GLU A 41 7.961 2.828 3.062 1.00 0.00 H new ATOM 0 HA GLU A 41 6.543 0.359 2.329 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.151 1.093 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.431 -0.473 4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.866 -0.475 2.306 1.00 0.00 H new ATOM 0 HG3 GLU A 41 9.753 0.843 3.047 1.00 0.00 H new ATOM 631 N GLY A 42 4.554 0.513 3.822 1.00 0.00 N ATOM 632 CA GLY A 42 3.274 0.669 4.501 1.00 0.00 C ATOM 633 C GLY A 42 2.681 -0.660 4.930 1.00 0.00 C ATOM 634 O GLY A 42 3.158 -1.725 4.512 1.00 0.00 O ATOM 0 H GLY A 42 4.618 -0.338 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.405 1.305 5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.574 1.179 3.839 1.00 0.00 H new ATOM 638 N GLU A 43 1.601 -0.604 5.723 1.00 0.00 N ATOM 639 CA GLU A 43 1.039 -1.784 6.402 1.00 0.00 C ATOM 640 C GLU A 43 -0.476 -1.901 6.103 1.00 0.00 C ATOM 641 O GLU A 43 -1.172 -0.894 5.902 1.00 0.00 O ATOM 642 CB GLU A 43 1.324 -1.670 7.939 1.00 0.00 C ATOM 643 CG GLU A 43 1.674 -2.992 8.666 1.00 0.00 C ATOM 644 CD GLU A 43 0.476 -3.913 8.940 1.00 0.00 C ATOM 645 OE1 GLU A 43 -0.180 -3.752 9.995 1.00 0.00 O ATOM 646 OE2 GLU A 43 0.186 -4.810 8.117 1.00 0.00 O ATOM 0 H GLU A 43 1.092 0.259 5.913 1.00 0.00 H new ATOM 0 HA GLU A 43 1.511 -2.693 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.147 -0.970 8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.447 -1.236 8.419 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.404 -3.537 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.155 -2.752 9.615 1.00 0.00 H new ATOM 653 N LYS A 44 -0.942 -3.153 6.061 1.00 0.00 N ATOM 654 CA LYS A 44 -2.350 -3.537 5.877 1.00 0.00 C ATOM 655 C LYS A 44 -3.067 -3.611 7.244 1.00 0.00 C ATOM 656 O LYS A 44 -2.517 -3.224 8.274 1.00 0.00 O ATOM 657 CB LYS A 44 -2.389 -4.942 5.217 1.00 0.00 C ATOM 658 CG LYS A 44 -1.625 -5.078 3.876 1.00 0.00 C ATOM 659 CD LYS A 44 -1.518 -6.558 3.422 1.00 0.00 C ATOM 660 CE LYS A 44 -0.753 -7.425 4.449 1.00 0.00 C ATOM 661 NZ LYS A 44 -0.785 -8.866 4.123 1.00 0.00 N ATOM 0 H LYS A 44 -0.326 -3.961 6.158 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.851 -2.797 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.979 -5.665 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.431 -5.215 5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.135 -4.498 3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.625 -4.657 3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.518 -6.966 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.011 -6.606 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.284 -7.092 4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.184 -7.272 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.205 -9.392 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.356 -9.016 3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.184 -9.206 3.957 1.00 0.00 H new ATOM 675 N GLU A 45 -4.320 -4.087 7.234 1.00 0.00 N ATOM 676 CA GLU A 45 -5.028 -4.518 8.459 1.00 0.00 C ATOM 677 C GLU A 45 -4.681 -6.001 8.743 1.00 0.00 C ATOM 678 O GLU A 45 -5.562 -6.875 8.741 1.00 0.00 O ATOM 679 CB GLU A 45 -6.559 -4.317 8.272 1.00 0.00 C ATOM 680 CG GLU A 45 -6.978 -2.894 7.858 1.00 0.00 C ATOM 681 CD GLU A 45 -6.566 -1.819 8.877 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.265 -1.662 9.905 1.00 0.00 O ATOM 683 OE2 GLU A 45 -5.557 -1.105 8.655 1.00 0.00 O ATOM 0 H GLU A 45 -4.874 -4.186 6.383 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.713 -3.919 9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.914 -5.019 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.061 -4.571 9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.533 -2.658 6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.060 -2.865 7.727 1.00 0.00 H new ATOM 690 N ASP A 46 -3.388 -6.281 8.984 1.00 0.00 N ATOM 691 CA ASP A 46 -2.877 -7.669 9.012 1.00 0.00 C ATOM 692 C ASP A 46 -1.702 -7.852 9.991 1.00 0.00 C ATOM 693 O ASP A 46 -1.709 -8.775 10.824 1.00 0.00 O ATOM 694 CB ASP A 46 -2.464 -8.065 7.574 1.00 0.00 C ATOM 695 CG ASP A 46 -1.983 -9.520 7.433 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.749 -10.441 7.775 1.00 0.00 O ATOM 697 OD2 ASP A 46 -0.847 -9.749 6.985 1.00 0.00 O ATOM 0 H ASP A 46 -2.678 -5.570 9.162 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.671 -8.323 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.313 -7.909 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.670 -7.398 7.240 1.00 0.00 H new ATOM 702 N GLY A 47 -0.718 -6.949 9.923 1.00 0.00 N ATOM 703 CA GLY A 47 0.516 -7.065 10.719 1.00 0.00 C ATOM 704 C GLY A 47 1.757 -7.352 9.885 1.00 0.00 C ATOM 705 O GLY A 47 2.873 -7.329 10.415 1.00 0.00 O ATOM 0 H GLY A 47 -0.750 -6.125 9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.668 -6.139 11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.391 -7.860 11.454 1.00 0.00 H new ATOM 709 N LEU A 48 1.577 -7.664 8.589 1.00 0.00 N ATOM 710 CA LEU A 48 2.696 -7.813 7.627 1.00 0.00 C ATOM 711 C LEU A 48 2.847 -6.528 6.786 1.00 0.00 C ATOM 712 O LEU A 48 1.870 -6.056 6.193 1.00 0.00 O ATOM 713 CB LEU A 48 2.494 -9.064 6.715 1.00 0.00 C ATOM 714 CG LEU A 48 2.848 -10.462 7.330 1.00 0.00 C ATOM 715 CD1 LEU A 48 4.333 -10.539 7.717 1.00 0.00 C ATOM 716 CD2 LEU A 48 1.942 -10.821 8.527 1.00 0.00 C ATOM 0 H LEU A 48 0.658 -7.820 8.175 1.00 0.00 H new ATOM 0 HA LEU A 48 3.617 -7.967 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.451 -9.088 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.096 -8.928 5.816 1.00 0.00 H new ATOM 0 HG LEU A 48 2.660 -11.205 6.555 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.548 -11.520 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.948 -10.383 6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.557 -9.768 8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.226 -11.798 8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.057 -10.070 9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.902 -10.849 8.201 1.00 0.00 H new ATOM 728 N ARG A 49 4.086 -6.021 6.691 1.00 0.00 N ATOM 729 CA ARG A 49 4.403 -4.752 6.008 1.00 0.00 C ATOM 730 C ARG A 49 5.024 -5.051 4.637 1.00 0.00 C ATOM 731 O ARG A 49 5.795 -6.010 4.494 1.00 0.00 O ATOM 732 CB ARG A 49 5.410 -3.924 6.862 1.00 0.00 C ATOM 733 CG ARG A 49 5.676 -2.480 6.361 1.00 0.00 C ATOM 734 CD ARG A 49 6.859 -1.803 7.078 1.00 0.00 C ATOM 735 NE ARG A 49 8.165 -2.356 6.647 1.00 0.00 N ATOM 736 CZ ARG A 49 9.226 -2.583 7.427 1.00 0.00 C ATOM 737 NH1 ARG A 49 9.166 -2.434 8.738 1.00 0.00 N ATOM 738 NH2 ARG A 49 10.350 -2.990 6.872 1.00 0.00 N ATOM 0 H ARG A 49 4.904 -6.482 7.089 1.00 0.00 H new ATOM 0 HA ARG A 49 3.486 -4.177 5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.037 -3.873 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.359 -4.460 6.895 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.873 -2.504 5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.778 -1.879 6.507 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.837 -0.731 6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.750 -1.930 8.155 1.00 0.00 H new ATOM 0 HE ARG A 49 8.263 -2.586 5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.295 -2.139 9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.991 -2.614 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.400 -3.127 5.862 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.170 -3.168 7.452 1.00 0.00 H new ATOM 752 N GLY A 50 4.690 -4.222 3.637 1.00 0.00 N ATOM 753 CA GLY A 50 5.233 -4.346 2.285 1.00 0.00 C ATOM 754 C GLY A 50 5.673 -3.004 1.735 1.00 0.00 C ATOM 755 O GLY A 50 5.174 -1.953 2.160 1.00 0.00 O ATOM 0 H GLY A 50 4.035 -3.448 3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.080 -5.032 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.479 -4.780 1.628 1.00 0.00 H new ATOM 759 N TRP A 51 6.616 -3.049 0.786 1.00 0.00 N ATOM 760 CA TRP A 51 7.173 -1.859 0.122 1.00 0.00 C ATOM 761 C TRP A 51 6.505 -1.664 -1.246 1.00 0.00 C ATOM 762 O TRP A 51 6.369 -2.619 -2.023 1.00 0.00 O ATOM 763 CB TRP A 51 8.735 -1.949 0.013 1.00 0.00 C ATOM 764 CG TRP A 51 9.321 -3.354 -0.062 1.00 0.00 C ATOM 765 CD1 TRP A 51 9.804 -4.090 0.987 1.00 0.00 C ATOM 766 CD2 TRP A 51 9.485 -4.180 -1.229 1.00 0.00 C ATOM 767 NE1 TRP A 51 10.261 -5.299 0.544 1.00 0.00 N ATOM 768 CE2 TRP A 51 10.080 -5.380 -0.804 1.00 0.00 C ATOM 769 CE3 TRP A 51 9.197 -4.022 -2.588 1.00 0.00 C ATOM 770 CZ2 TRP A 51 10.378 -6.417 -1.680 1.00 0.00 C ATOM 771 CZ3 TRP A 51 9.501 -5.047 -3.462 1.00 0.00 C ATOM 772 CH2 TRP A 51 10.089 -6.234 -3.001 1.00 0.00 C ATOM 0 H TRP A 51 7.021 -3.924 0.452 1.00 0.00 H new ATOM 0 HA TRP A 51 6.956 -0.980 0.729 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.050 -1.398 -0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 51 9.169 -1.442 0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.821 -3.762 2.016 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.672 -6.026 1.130 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.743 -3.111 -2.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.823 -7.336 -1.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 9.283 -4.933 -4.514 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.318 -7.019 -3.706 1.00 0.00 H new ATOM 783 N PHE A 52 6.072 -0.425 -1.519 1.00 0.00 N ATOM 784 CA PHE A 52 5.422 -0.048 -2.786 1.00 0.00 C ATOM 785 C PHE A 52 6.045 1.256 -3.313 1.00 0.00 C ATOM 786 O PHE A 52 6.174 2.212 -2.545 1.00 0.00 O ATOM 787 CB PHE A 52 3.890 0.162 -2.596 1.00 0.00 C ATOM 788 CG PHE A 52 3.132 -1.087 -2.159 1.00 0.00 C ATOM 789 CD1 PHE A 52 2.902 -2.125 -3.062 1.00 0.00 C ATOM 790 CD2 PHE A 52 2.644 -1.222 -0.858 1.00 0.00 C ATOM 791 CE1 PHE A 52 2.212 -3.258 -2.675 1.00 0.00 C ATOM 792 CE2 PHE A 52 1.954 -2.356 -0.476 1.00 0.00 C ATOM 793 CZ PHE A 52 1.739 -3.373 -1.385 1.00 0.00 C ATOM 0 H PHE A 52 6.163 0.351 -0.863 1.00 0.00 H new ATOM 0 HA PHE A 52 5.575 -0.858 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.732 0.946 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.466 0.520 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.267 -2.042 -4.075 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.808 -0.430 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.043 -4.055 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.583 -2.447 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.200 -4.259 -1.085 1.00 0.00 H new ATOM 803 N PRO A 53 6.476 1.294 -4.615 1.00 0.00 N ATOM 804 CA PRO A 53 6.739 2.561 -5.321 1.00 0.00 C ATOM 805 C PRO A 53 5.435 3.375 -5.513 1.00 0.00 C ATOM 806 O PRO A 53 4.341 2.795 -5.629 1.00 0.00 O ATOM 807 CB PRO A 53 7.342 2.120 -6.689 1.00 0.00 C ATOM 808 CG PRO A 53 7.767 0.696 -6.480 1.00 0.00 C ATOM 809 CD PRO A 53 6.793 0.122 -5.475 1.00 0.00 C ATOM 0 HA PRO A 53 7.411 3.216 -4.766 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.607 2.200 -7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.188 2.748 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.739 0.138 -7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.790 0.643 -6.108 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.902 -0.277 -5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.236 -0.692 -4.902 1.00 0.00 H new ATOM 817 N ALA A 54 5.589 4.708 -5.584 1.00 0.00 N ATOM 818 CA ALA A 54 4.477 5.673 -5.747 1.00 0.00 C ATOM 819 C ALA A 54 3.685 5.434 -7.048 1.00 0.00 C ATOM 820 O ALA A 54 2.497 5.757 -7.138 1.00 0.00 O ATOM 821 CB ALA A 54 5.038 7.109 -5.714 1.00 0.00 C ATOM 0 H ALA A 54 6.503 5.157 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 54 3.781 5.528 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.222 7.821 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.535 7.284 -4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.754 7.238 -6.525 1.00 0.00 H new ATOM 827 N SER A 55 4.371 4.850 -8.041 1.00 0.00 N ATOM 828 CA SER A 55 3.812 4.582 -9.376 1.00 0.00 C ATOM 829 C SER A 55 2.795 3.415 -9.386 1.00 0.00 C ATOM 830 O SER A 55 2.037 3.278 -10.350 1.00 0.00 O ATOM 831 CB SER A 55 4.969 4.290 -10.354 1.00 0.00 C ATOM 832 OG SER A 55 5.896 5.364 -10.389 1.00 0.00 O ATOM 0 H SER A 55 5.340 4.547 -7.940 1.00 0.00 H new ATOM 0 HA SER A 55 3.261 5.469 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.480 3.375 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.569 4.119 -11.353 1.00 0.00 H new ATOM 0 HG SER A 55 6.619 5.152 -11.015 1.00 0.00 H new ATOM 838 N TYR A 56 2.783 2.573 -8.333 1.00 0.00 N ATOM 839 CA TYR A 56 1.875 1.396 -8.246 1.00 0.00 C ATOM 840 C TYR A 56 0.612 1.704 -7.433 1.00 0.00 C ATOM 841 O TYR A 56 -0.425 1.046 -7.624 1.00 0.00 O ATOM 842 CB TYR A 56 2.622 0.191 -7.621 1.00 0.00 C ATOM 843 CG TYR A 56 3.677 -0.430 -8.549 1.00 0.00 C ATOM 844 CD1 TYR A 56 4.935 0.152 -8.701 1.00 0.00 C ATOM 845 CD2 TYR A 56 3.419 -1.604 -9.270 1.00 0.00 C ATOM 846 CE1 TYR A 56 5.896 -0.409 -9.529 1.00 0.00 C ATOM 847 CE2 TYR A 56 4.375 -2.163 -10.101 1.00 0.00 C ATOM 848 CZ TYR A 56 5.611 -1.564 -10.221 1.00 0.00 C ATOM 849 OH TYR A 56 6.564 -2.121 -11.042 1.00 0.00 O ATOM 0 H TYR A 56 3.393 2.682 -7.523 1.00 0.00 H new ATOM 0 HA TYR A 56 1.564 1.148 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 56 3.106 0.513 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.895 -0.574 -7.348 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.166 1.059 -8.162 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.455 -2.082 -9.175 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.864 0.059 -9.630 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.153 -3.065 -10.653 1.00 0.00 H new ATOM 0 HH TYR A 56 6.205 -2.933 -11.456 1.00 0.00 H new ATOM 859 N VAL A 57 0.698 2.694 -6.528 1.00 0.00 N ATOM 860 CA VAL A 57 -0.384 3.015 -5.581 1.00 0.00 C ATOM 861 C VAL A 57 -0.927 4.433 -5.826 1.00 0.00 C ATOM 862 O VAL A 57 -0.208 5.317 -6.303 1.00 0.00 O ATOM 863 CB VAL A 57 0.105 2.864 -4.085 1.00 0.00 C ATOM 864 CG1 VAL A 57 0.382 1.374 -3.729 1.00 0.00 C ATOM 865 CG2 VAL A 57 1.366 3.742 -3.806 1.00 0.00 C ATOM 0 H VAL A 57 1.518 3.293 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.192 2.303 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.700 3.221 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.717 1.303 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.532 0.794 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.156 0.980 -4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.676 3.615 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.177 3.435 -4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.127 4.790 -3.987 1.00 0.00 H new ATOM 875 N GLN A 58 -2.210 4.631 -5.489 1.00 0.00 N ATOM 876 CA GLN A 58 -2.883 5.934 -5.567 1.00 0.00 C ATOM 877 C GLN A 58 -2.531 6.760 -4.327 1.00 0.00 C ATOM 878 O GLN A 58 -3.041 6.493 -3.238 1.00 0.00 O ATOM 879 CB GLN A 58 -4.419 5.727 -5.677 1.00 0.00 C ATOM 880 CG GLN A 58 -5.256 7.023 -5.688 1.00 0.00 C ATOM 881 CD GLN A 58 -6.751 6.771 -5.897 1.00 0.00 C ATOM 882 OE1 GLN A 58 -7.491 6.552 -4.945 1.00 0.00 O ATOM 883 NE2 GLN A 58 -7.200 6.796 -7.143 1.00 0.00 N ATOM 0 H GLN A 58 -2.815 3.882 -5.151 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.547 6.472 -6.453 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.630 5.169 -6.589 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.747 5.108 -4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.111 7.550 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.890 7.678 -6.479 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.557 6.981 -7.913 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.188 6.630 -7.332 1.00 0.00 H new ATOM 892 N LEU A 59 -1.634 7.740 -4.501 1.00 0.00 N ATOM 893 CA LEU A 59 -1.232 8.646 -3.420 1.00 0.00 C ATOM 894 C LEU A 59 -2.426 9.539 -3.049 1.00 0.00 C ATOM 895 O LEU A 59 -2.905 10.310 -3.891 1.00 0.00 O ATOM 896 CB LEU A 59 -0.015 9.503 -3.858 1.00 0.00 C ATOM 897 CG LEU A 59 1.197 8.714 -4.451 1.00 0.00 C ATOM 898 CD1 LEU A 59 2.365 9.667 -4.801 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.656 7.568 -3.513 1.00 0.00 C ATOM 0 H LEU A 59 -1.170 7.925 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.932 8.067 -2.547 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.352 10.225 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.333 10.072 -2.996 1.00 0.00 H new ATOM 0 HG LEU A 59 0.861 8.248 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.194 9.091 -5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.031 10.397 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.694 10.185 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.500 7.045 -3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.957 7.984 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.834 6.868 -3.364 1.00 0.00 H new ATOM 911 N LEU A 60 -2.931 9.387 -1.818 1.00 0.00 N ATOM 912 CA LEU A 60 -4.103 10.128 -1.332 1.00 0.00 C ATOM 913 C LEU A 60 -3.630 11.469 -0.730 1.00 0.00 C ATOM 914 O LEU A 60 -3.730 12.515 -1.407 1.00 0.00 O ATOM 915 CB LEU A 60 -4.898 9.268 -0.303 1.00 0.00 C ATOM 916 CG LEU A 60 -5.433 7.901 -0.839 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.240 7.133 0.237 1.00 0.00 C ATOM 918 CD2 LEU A 60 -6.260 8.087 -2.135 1.00 0.00 C ATOM 919 OXT LEU A 60 -3.116 11.468 0.407 1.00 0.00 O ATOM 0 H LEU A 60 -2.538 8.745 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.784 10.343 -2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.256 9.075 0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.744 9.854 0.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.563 7.292 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.593 6.189 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.602 6.935 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.094 7.734 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.617 7.117 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.112 8.736 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.634 8.539 -2.904 1.00 0.00 H new