USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 550 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 Set 1.1: A 26 TYR OH : rot 151:sc= 0.936 USER MOD Set 1.2: A 65 SER OG : rot 58:sc= 1.4 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -37:sc= 0.0998 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.17) USER MOD Single : A 63 SER OG : rot -120:sc= -0.104 USER MOD Single : A 70 GLN : amide:sc= -0.874 K(o=-0.87,f=-0.09) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N LEU A 3 3.672 0.369 5.445 1.00 0.00 N ATOM 71 CA LEU A 3 3.602 -0.775 6.379 1.00 0.00 C ATOM 72 C LEU A 3 3.888 -2.112 5.665 1.00 0.00 C ATOM 73 O LEU A 3 3.753 -2.202 4.448 1.00 0.00 O ATOM 74 CB LEU A 3 2.212 -0.824 7.060 1.00 0.00 C ATOM 75 CG LEU A 3 1.933 0.134 8.239 1.00 0.00 C ATOM 76 CD1 LEU A 3 2.910 -0.069 9.399 1.00 0.00 C ATOM 77 CD2 LEU A 3 1.907 1.619 7.871 1.00 0.00 C ATOM 0 HA LEU A 3 4.372 -0.631 7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.461 -0.633 6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.053 -1.842 7.416 1.00 0.00 H new ATOM 0 HG LEU A 3 0.924 -0.140 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.671 0.628 10.202 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.828 -1.091 9.769 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.928 0.111 9.053 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.704 2.211 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.872 1.908 7.455 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.126 1.797 7.132 1.00 0.00 H new ATOM 89 N ARG A 4 4.284 -3.162 6.405 1.00 0.00 N ATOM 90 CA ARG A 4 4.631 -4.484 5.844 1.00 0.00 C ATOM 91 C ARG A 4 3.421 -5.419 5.694 1.00 0.00 C ATOM 92 O ARG A 4 2.459 -5.311 6.453 1.00 0.00 O ATOM 93 CB ARG A 4 5.744 -5.150 6.678 1.00 0.00 C ATOM 94 CG ARG A 4 5.398 -5.267 8.176 1.00 0.00 C ATOM 95 CD ARG A 4 6.087 -6.448 8.875 1.00 0.00 C ATOM 96 NE ARG A 4 7.069 -6.037 9.892 1.00 0.00 N ATOM 97 CZ ARG A 4 7.983 -6.815 10.463 1.00 0.00 C ATOM 98 NH1 ARG A 4 8.182 -8.054 10.071 1.00 0.00 N ATOM 99 NH2 ARG A 4 8.720 -6.369 11.452 1.00 0.00 N ATOM 0 H ARG A 4 4.374 -3.119 7.420 1.00 0.00 H new ATOM 0 HA ARG A 4 5.000 -4.305 4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.941 -6.145 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.664 -4.575 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.681 -4.342 8.679 1.00 0.00 H new ATOM 0 HG3 ARG A 4 4.318 -5.371 8.284 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.329 -7.074 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.587 -7.062 8.126 1.00 0.00 H new ATOM 0 HE ARG A 4 7.046 -5.061 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.627 -8.443 9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.891 -8.626 10.529 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.595 -5.415 11.791 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.418 -6.976 11.882 1.00 0.00 H new ATOM 113 N ILE A 5 3.509 -6.417 4.799 1.00 0.00 N ATOM 114 CA ILE A 5 2.421 -7.394 4.551 1.00 0.00 C ATOM 115 C ILE A 5 1.950 -8.102 5.832 1.00 0.00 C ATOM 116 O ILE A 5 0.751 -8.256 6.054 1.00 0.00 O ATOM 117 CB ILE A 5 2.799 -8.401 3.433 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.600 -8.790 2.544 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.578 -9.644 3.901 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.436 -9.470 3.260 1.00 0.00 C ATOM 0 H ILE A 5 4.336 -6.574 4.223 1.00 0.00 H new ATOM 0 HA ILE A 5 1.566 -6.819 4.195 1.00 0.00 H new ATOM 0 HB ILE A 5 3.504 -7.840 2.820 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.226 -7.890 2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.956 -9.455 1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.793 -10.283 3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.514 -9.333 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.980 -10.197 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.350 -9.699 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.783 -10.393 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.042 -8.804 4.028 1.00 0.00 H new ATOM 132 N ARG A 6 2.882 -8.463 6.725 1.00 0.00 N ATOM 133 CA ARG A 6 2.577 -9.055 8.035 1.00 0.00 C ATOM 134 C ARG A 6 1.639 -8.157 8.858 1.00 0.00 C ATOM 135 O ARG A 6 0.722 -8.666 9.496 1.00 0.00 O ATOM 136 CB ARG A 6 3.881 -9.393 8.793 1.00 0.00 C ATOM 137 CG ARG A 6 4.057 -10.903 9.015 1.00 0.00 C ATOM 138 CD ARG A 6 5.367 -11.224 9.762 1.00 0.00 C ATOM 139 NE ARG A 6 5.144 -12.120 10.913 1.00 0.00 N ATOM 140 CZ ARG A 6 6.064 -12.688 11.687 1.00 0.00 C ATOM 141 NH1 ARG A 6 7.350 -12.577 11.440 1.00 0.00 N ATOM 142 NH2 ARG A 6 5.703 -13.386 12.738 1.00 0.00 N ATOM 0 H ARG A 6 3.882 -8.351 6.556 1.00 0.00 H new ATOM 0 HA ARG A 6 2.040 -9.990 7.872 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.733 -9.010 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.879 -8.885 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.211 -11.288 9.584 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.053 -11.415 8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.072 -11.688 9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.823 -10.297 10.108 1.00 0.00 H new ATOM 0 HE ARG A 6 4.172 -12.328 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.670 -12.042 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.028 -13.026 12.055 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.714 -13.494 12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.411 -13.820 13.330 1.00 0.00 H new ATOM 156 N THR A 7 1.831 -6.833 8.803 1.00 0.00 N ATOM 157 CA THR A 7 0.981 -5.828 9.462 1.00 0.00 C ATOM 158 C THR A 7 -0.373 -5.668 8.758 1.00 0.00 C ATOM 159 O THR A 7 -1.376 -5.468 9.438 1.00 0.00 O ATOM 160 CB THR A 7 1.710 -4.479 9.589 1.00 0.00 C ATOM 161 OG1 THR A 7 2.879 -4.666 10.354 1.00 0.00 O ATOM 162 CG2 THR A 7 0.875 -3.429 10.296 1.00 0.00 C ATOM 0 H THR A 7 2.604 -6.417 8.284 1.00 0.00 H new ATOM 0 HA THR A 7 0.775 -6.192 10.468 1.00 0.00 H new ATOM 0 HB THR A 7 1.923 -4.133 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.353 -3.813 10.440 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.438 -2.498 10.358 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.046 -3.260 9.738 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.632 -3.774 11.301 1.00 0.00 H new ATOM 170 N ILE A 8 -0.435 -5.816 7.425 1.00 0.00 N ATOM 171 CA ILE A 8 -1.707 -5.900 6.685 1.00 0.00 C ATOM 172 C ILE A 8 -2.501 -7.127 7.159 1.00 0.00 C ATOM 173 O ILE A 8 -3.643 -7.001 7.600 1.00 0.00 O ATOM 174 CB ILE A 8 -1.500 -5.927 5.148 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.602 -4.765 4.674 1.00 0.00 C ATOM 176 CG2 ILE A 8 -2.868 -5.886 4.435 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.388 -4.686 3.161 1.00 0.00 C ATOM 0 H ILE A 8 0.391 -5.881 6.831 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.278 -4.997 6.900 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.990 -6.855 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.040 -3.826 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.370 -4.856 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.717 -5.905 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.460 -6.751 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.395 -4.973 4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.256 -3.838 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.082 -5.605 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.350 -4.559 2.664 1.00 0.00 H new ATOM 189 N ALA A 9 -1.894 -8.319 7.093 1.00 0.00 N ATOM 190 CA ALA A 9 -2.526 -9.578 7.477 1.00 0.00 C ATOM 191 C ALA A 9 -2.971 -9.594 8.951 1.00 0.00 C ATOM 192 O ALA A 9 -4.074 -10.057 9.258 1.00 0.00 O ATOM 193 CB ALA A 9 -1.554 -10.713 7.176 1.00 0.00 C ATOM 0 H ALA A 9 -0.935 -8.432 6.765 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.440 -9.703 6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.007 -11.664 7.456 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.322 -10.721 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.636 -10.567 7.746 1.00 0.00 H new ATOM 199 N ARG A 10 -2.158 -9.011 9.850 1.00 0.00 N ATOM 200 CA ARG A 10 -2.435 -8.793 11.284 1.00 0.00 C ATOM 201 C ARG A 10 -3.758 -8.090 11.599 1.00 0.00 C ATOM 202 O ARG A 10 -4.199 -8.184 12.740 1.00 0.00 O ATOM 203 CB ARG A 10 -1.274 -8.002 11.914 1.00 0.00 C ATOM 204 CG ARG A 10 -0.189 -8.899 12.526 1.00 0.00 C ATOM 205 CD ARG A 10 -0.563 -9.357 13.947 1.00 0.00 C ATOM 206 NE ARG A 10 0.451 -8.940 14.934 1.00 0.00 N ATOM 207 CZ ARG A 10 0.400 -9.101 16.251 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.613 -9.691 16.840 1.00 0.00 N ATOM 209 NH2 ARG A 10 1.382 -8.665 17.006 1.00 0.00 N ATOM 0 H ARG A 10 -1.239 -8.659 9.582 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.529 -9.790 11.714 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.823 -7.365 11.153 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.670 -7.343 12.687 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.037 -9.772 11.891 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.757 -8.358 12.555 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.532 -8.940 14.221 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.666 -10.442 13.965 1.00 0.00 H new ATOM 0 HE ARG A 10 1.282 -8.478 14.564 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.393 -10.042 16.284 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.621 -9.799 17.854 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.185 -8.202 16.581 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.341 -8.789 18.018 1.00 0.00 H new ATOM 223 N MET A 11 -4.423 -7.459 10.622 1.00 0.00 N ATOM 224 CA MET A 11 -5.803 -6.981 10.767 1.00 0.00 C ATOM 225 C MET A 11 -6.783 -8.087 11.199 1.00 0.00 C ATOM 226 O MET A 11 -7.772 -7.784 11.860 1.00 0.00 O ATOM 227 CB MET A 11 -6.283 -6.384 9.436 1.00 0.00 C ATOM 228 CG MET A 11 -5.643 -5.035 9.085 1.00 0.00 C ATOM 229 SD MET A 11 -6.633 -3.587 9.561 1.00 0.00 S ATOM 230 CE MET A 11 -5.452 -2.693 10.596 1.00 0.00 C ATOM 0 H MET A 11 -4.017 -7.266 9.706 1.00 0.00 H new ATOM 0 HA MET A 11 -5.793 -6.227 11.555 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.072 -7.093 8.635 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.365 -6.261 9.475 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.670 -4.971 9.572 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.464 -5.000 8.010 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.913 -1.777 10.966 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.161 -3.319 11.440 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.569 -2.443 10.008 1.00 0.00 H new ATOM 240 N THR A 12 -6.548 -9.354 10.815 1.00 0.00 N ATOM 241 CA THR A 12 -7.423 -10.482 11.205 1.00 0.00 C ATOM 242 C THR A 12 -6.786 -11.882 11.098 1.00 0.00 C ATOM 243 O THR A 12 -7.371 -12.856 11.565 1.00 0.00 O ATOM 244 CB THR A 12 -8.728 -10.416 10.379 1.00 0.00 C ATOM 245 OG1 THR A 12 -9.759 -11.200 10.929 1.00 0.00 O ATOM 246 CG2 THR A 12 -8.530 -10.881 8.943 1.00 0.00 C ATOM 0 H THR A 12 -5.757 -9.627 10.232 1.00 0.00 H new ATOM 0 HA THR A 12 -7.620 -10.355 12.270 1.00 0.00 H new ATOM 0 HB THR A 12 -9.009 -9.363 10.400 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.381 -12.024 11.300 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.476 -10.815 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.790 -10.247 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.182 -11.914 8.940 1.00 0.00 H new ATOM 254 N GLY A 13 -5.614 -12.034 10.465 1.00 0.00 N ATOM 255 CA GLY A 13 -4.975 -13.328 10.224 1.00 0.00 C ATOM 256 C GLY A 13 -5.599 -14.082 9.053 1.00 0.00 C ATOM 257 O GLY A 13 -4.882 -14.470 8.133 1.00 0.00 O ATOM 0 H GLY A 13 -5.078 -11.246 10.102 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.914 -13.174 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.048 -13.938 11.124 1.00 0.00 H new ATOM 261 N ILE A 14 -6.930 -14.250 9.047 1.00 0.00 N ATOM 262 CA ILE A 14 -7.661 -15.040 8.032 1.00 0.00 C ATOM 263 C ILE A 14 -7.345 -14.561 6.608 1.00 0.00 C ATOM 264 O ILE A 14 -7.212 -15.362 5.682 1.00 0.00 O ATOM 265 CB ILE A 14 -9.194 -15.144 8.316 1.00 0.00 C ATOM 266 CG1 ILE A 14 -10.152 -14.188 7.554 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.505 -15.005 9.821 1.00 0.00 C ATOM 268 CD1 ILE A 14 -10.522 -14.638 6.131 1.00 0.00 C ATOM 0 H ILE A 14 -7.540 -13.838 9.753 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.292 -16.063 8.110 1.00 0.00 H new ATOM 0 HB ILE A 14 -9.404 -16.140 7.925 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.068 -14.078 8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.689 -13.203 7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.581 -15.083 9.979 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.999 -15.798 10.372 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.155 -14.036 10.177 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.194 -13.907 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.617 -14.719 5.528 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.018 -15.608 6.173 1.00 0.00 H new ATOM 280 N ARG A 15 -7.142 -13.245 6.457 1.00 0.00 N ATOM 281 CA ARG A 15 -6.749 -12.597 5.208 1.00 0.00 C ATOM 282 C ARG A 15 -5.396 -13.071 4.684 1.00 0.00 C ATOM 283 O ARG A 15 -5.208 -13.013 3.473 1.00 0.00 O ATOM 284 CB ARG A 15 -6.746 -11.069 5.381 1.00 0.00 C ATOM 285 CG ARG A 15 -8.175 -10.528 5.522 1.00 0.00 C ATOM 286 CD ARG A 15 -8.195 -9.054 5.960 1.00 0.00 C ATOM 287 NE ARG A 15 -9.520 -8.680 6.498 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.827 -7.603 7.210 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.968 -6.630 7.395 1.00 0.00 N ATOM 290 NH2 ARG A 15 -11.012 -7.496 7.765 1.00 0.00 N ATOM 0 H ARG A 15 -7.251 -12.586 7.228 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.490 -12.884 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.163 -10.800 6.262 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.260 -10.603 4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.696 -10.630 4.570 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.720 -11.129 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.430 -8.886 6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.949 -8.415 5.112 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.286 -9.323 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.035 -6.689 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.233 -5.814 7.947 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.699 -8.241 7.649 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.246 -6.667 8.312 1.00 0.00 H new ATOM 304 N GLU A 16 -4.469 -13.559 5.520 1.00 0.00 N ATOM 305 CA GLU A 16 -3.125 -13.943 5.066 1.00 0.00 C ATOM 306 C GLU A 16 -3.186 -15.009 3.965 1.00 0.00 C ATOM 307 O GLU A 16 -2.494 -14.888 2.954 1.00 0.00 O ATOM 308 CB GLU A 16 -2.255 -14.417 6.243 1.00 0.00 C ATOM 309 CG GLU A 16 -0.765 -14.301 5.887 1.00 0.00 C ATOM 310 CD GLU A 16 0.170 -14.727 7.026 1.00 0.00 C ATOM 311 OE1 GLU A 16 -0.149 -14.418 8.197 1.00 0.00 O ATOM 312 OE2 GLU A 16 1.238 -15.302 6.708 1.00 0.00 O ATOM 0 H GLU A 16 -4.626 -13.698 6.518 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.659 -13.055 4.640 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.472 -13.819 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.497 -15.451 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.560 -14.915 5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.544 -13.270 5.613 1.00 0.00 H new ATOM 319 N ALA A 17 -4.079 -15.995 4.123 1.00 0.00 N ATOM 320 CA ALA A 17 -4.324 -17.058 3.154 1.00 0.00 C ATOM 321 C ALA A 17 -4.793 -16.518 1.790 1.00 0.00 C ATOM 322 O ALA A 17 -4.431 -17.052 0.744 1.00 0.00 O ATOM 323 CB ALA A 17 -5.359 -17.997 3.766 1.00 0.00 C ATOM 0 H ALA A 17 -4.665 -16.072 4.954 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.394 -17.587 2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.571 -18.809 3.070 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.970 -18.409 4.697 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.277 -17.445 3.969 1.00 0.00 H new ATOM 329 N THR A 18 -5.567 -15.427 1.800 1.00 0.00 N ATOM 330 CA THR A 18 -6.044 -14.709 0.614 1.00 0.00 C ATOM 331 C THR A 18 -4.945 -13.814 0.027 1.00 0.00 C ATOM 332 O THR A 18 -4.709 -13.855 -1.176 1.00 0.00 O ATOM 333 CB THR A 18 -7.307 -13.923 1.000 1.00 0.00 C ATOM 334 OG1 THR A 18 -8.372 -14.833 1.146 1.00 0.00 O ATOM 335 CG2 THR A 18 -7.745 -12.886 -0.021 1.00 0.00 C ATOM 0 H THR A 18 -5.891 -15.004 2.670 1.00 0.00 H new ATOM 0 HA THR A 18 -6.300 -15.415 -0.176 1.00 0.00 H new ATOM 0 HB THR A 18 -7.058 -13.391 1.918 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.186 -14.347 1.394 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.643 -12.381 0.335 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.949 -12.155 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.957 -13.377 -0.970 1.00 0.00 H new ATOM 343 N LEU A 19 -4.229 -13.052 0.860 1.00 0.00 N ATOM 344 CA LEU A 19 -3.117 -12.186 0.457 1.00 0.00 C ATOM 345 C LEU A 19 -1.984 -12.983 -0.220 1.00 0.00 C ATOM 346 O LEU A 19 -1.532 -12.631 -1.310 1.00 0.00 O ATOM 347 CB LEU A 19 -2.592 -11.440 1.698 1.00 0.00 C ATOM 348 CG LEU A 19 -3.566 -10.427 2.338 1.00 0.00 C ATOM 349 CD1 LEU A 19 -3.222 -10.185 3.806 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.505 -9.077 1.635 1.00 0.00 C ATOM 0 H LEU A 19 -4.413 -13.020 1.863 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.481 -11.470 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.318 -12.177 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.679 -10.912 1.422 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.562 -10.859 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.924 -9.468 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.287 -11.125 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.209 -9.790 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.203 -8.387 2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.494 -8.676 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.775 -9.200 0.586 1.00 0.00 H new ATOM 362 N ARG A 20 -1.533 -14.075 0.415 1.00 0.00 N ATOM 363 CA ARG A 20 -0.481 -14.963 -0.108 1.00 0.00 C ATOM 364 C ARG A 20 -0.949 -15.793 -1.304 1.00 0.00 C ATOM 365 O ARG A 20 -0.129 -16.116 -2.159 1.00 0.00 O ATOM 366 CB ARG A 20 0.018 -15.886 1.010 1.00 0.00 C ATOM 367 CG ARG A 20 0.797 -15.112 2.083 1.00 0.00 C ATOM 368 CD ARG A 20 2.300 -14.964 1.760 1.00 0.00 C ATOM 369 NE ARG A 20 3.120 -15.925 2.532 1.00 0.00 N ATOM 370 CZ ARG A 20 3.210 -15.965 3.858 1.00 0.00 C ATOM 371 NH1 ARG A 20 2.748 -14.982 4.589 1.00 0.00 N ATOM 372 NH2 ARG A 20 3.724 -16.999 4.477 1.00 0.00 N ATOM 0 H ARG A 20 -1.894 -14.372 1.322 1.00 0.00 H new ATOM 0 HA ARG A 20 0.332 -14.329 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.831 -16.391 1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.657 -16.660 0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.358 -14.121 2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.687 -15.621 3.040 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.461 -15.122 0.694 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.623 -13.947 1.984 1.00 0.00 H new ATOM 0 HE ARG A 20 3.659 -16.611 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.314 -14.175 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.823 -15.024 5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.066 -17.796 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.782 -17.007 5.495 1.00 0.00 H new ATOM 386 N ALA A 21 -2.250 -16.092 -1.413 1.00 0.00 N ATOM 387 CA ALA A 21 -2.825 -16.556 -2.669 1.00 0.00 C ATOM 388 C ALA A 21 -2.679 -15.476 -3.748 1.00 0.00 C ATOM 389 O ALA A 21 -2.081 -15.745 -4.792 1.00 0.00 O ATOM 390 CB ALA A 21 -4.271 -16.992 -2.466 1.00 0.00 C ATOM 0 H ALA A 21 -2.918 -16.019 -0.645 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.278 -17.433 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.684 -17.335 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.308 -17.804 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.857 -16.149 -2.099 1.00 0.00 H new ATOM 396 N TRP A 22 -3.172 -14.251 -3.506 1.00 0.00 N ATOM 397 CA TRP A 22 -3.112 -13.159 -4.478 1.00 0.00 C ATOM 398 C TRP A 22 -1.712 -12.871 -5.006 1.00 0.00 C ATOM 399 O TRP A 22 -1.598 -12.608 -6.201 1.00 0.00 O ATOM 400 CB TRP A 22 -3.670 -11.857 -3.926 1.00 0.00 C ATOM 401 CG TRP A 22 -5.099 -11.781 -3.514 1.00 0.00 C ATOM 402 CD1 TRP A 22 -6.119 -12.531 -3.974 1.00 0.00 C ATOM 403 CD2 TRP A 22 -5.682 -10.813 -2.588 1.00 0.00 C ATOM 404 NE1 TRP A 22 -7.300 -12.069 -3.425 1.00 0.00 N ATOM 405 CE2 TRP A 22 -7.088 -10.992 -2.602 1.00 0.00 C ATOM 406 CE3 TRP A 22 -5.170 -9.795 -1.771 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.945 -10.167 -1.854 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -6.018 -8.974 -0.999 1.00 0.00 C ATOM 409 CH2 TRP A 22 -7.408 -9.163 -1.040 1.00 0.00 C ATOM 0 H TRP A 22 -3.623 -13.994 -2.628 1.00 0.00 H new ATOM 0 HA TRP A 22 -3.729 -13.520 -5.301 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.067 -11.586 -3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.508 -11.088 -4.681 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.028 -13.359 -4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.216 -12.478 -3.609 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.102 -9.636 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -9.015 -10.307 -1.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.597 -8.199 -0.376 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.059 -8.538 -0.447 1.00 0.00 H new ATOM 420 N GLU A 23 -0.669 -12.980 -4.174 1.00 0.00 N ATOM 421 CA GLU A 23 0.742 -12.868 -4.576 1.00 0.00 C ATOM 422 C GLU A 23 1.064 -13.686 -5.843 1.00 0.00 C ATOM 423 O GLU A 23 1.795 -13.208 -6.708 1.00 0.00 O ATOM 424 CB GLU A 23 1.620 -13.305 -3.391 1.00 0.00 C ATOM 425 CG GLU A 23 3.105 -12.944 -3.532 1.00 0.00 C ATOM 426 CD GLU A 23 3.982 -14.162 -3.243 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.146 -14.487 -2.047 1.00 0.00 O ATOM 428 OE2 GLU A 23 4.450 -14.794 -4.219 1.00 0.00 O ATOM 0 H GLU A 23 -0.784 -13.153 -3.175 1.00 0.00 H new ATOM 0 HA GLU A 23 0.951 -11.830 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.233 -12.848 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.532 -14.384 -3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.302 -12.577 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.356 -12.136 -2.844 1.00 0.00 H new ATOM 435 N ARG A 24 0.451 -14.874 -5.993 1.00 0.00 N ATOM 436 CA ARG A 24 0.589 -15.757 -7.163 1.00 0.00 C ATOM 437 C ARG A 24 -0.643 -15.760 -8.086 1.00 0.00 C ATOM 438 O ARG A 24 -0.559 -16.278 -9.196 1.00 0.00 O ATOM 439 CB ARG A 24 0.919 -17.182 -6.684 1.00 0.00 C ATOM 440 CG ARG A 24 2.228 -17.250 -5.874 1.00 0.00 C ATOM 441 CD ARG A 24 2.510 -18.667 -5.357 1.00 0.00 C ATOM 442 NE ARG A 24 3.122 -19.534 -6.383 1.00 0.00 N ATOM 443 CZ ARG A 24 3.255 -20.855 -6.334 1.00 0.00 C ATOM 444 NH1 ARG A 24 2.711 -21.570 -5.376 1.00 0.00 N ATOM 445 NH2 ARG A 24 3.948 -21.489 -7.251 1.00 0.00 N ATOM 0 H ARG A 24 -0.172 -15.256 -5.282 1.00 0.00 H new ATOM 0 HA ARG A 24 1.404 -15.364 -7.770 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.098 -17.554 -6.071 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.997 -17.842 -7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.058 -16.920 -6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.169 -16.561 -5.031 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.172 -18.610 -4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.578 -19.117 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 24 3.481 -19.070 -7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.169 -21.112 -4.643 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.830 -22.583 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.389 -20.967 -8.008 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.045 -22.503 -7.206 1.00 0.00 H new ATOM 459 N ARG A 25 -1.780 -15.199 -7.644 1.00 0.00 N ATOM 460 CA ARG A 25 -3.075 -15.183 -8.353 1.00 0.00 C ATOM 461 C ARG A 25 -3.303 -13.916 -9.192 1.00 0.00 C ATOM 462 O ARG A 25 -3.906 -14.015 -10.256 1.00 0.00 O ATOM 463 CB ARG A 25 -4.200 -15.393 -7.319 1.00 0.00 C ATOM 464 CG ARG A 25 -5.412 -16.190 -7.808 1.00 0.00 C ATOM 465 CD ARG A 25 -6.335 -16.487 -6.607 1.00 0.00 C ATOM 466 NE ARG A 25 -7.062 -17.763 -6.746 1.00 0.00 N ATOM 467 CZ ARG A 25 -6.562 -18.982 -6.568 1.00 0.00 C ATOM 468 NH1 ARG A 25 -5.293 -19.177 -6.293 1.00 0.00 N ATOM 469 NH2 ARG A 25 -7.334 -20.039 -6.667 1.00 0.00 N ATOM 0 H ARG A 25 -1.826 -14.723 -6.743 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.074 -15.996 -9.079 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.780 -15.902 -6.451 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.544 -14.416 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.952 -15.625 -8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.088 -17.121 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.740 -16.511 -5.694 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.054 -15.675 -6.497 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.047 -17.704 -7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.661 -18.381 -6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.939 -20.125 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.325 -19.928 -6.882 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.943 -20.971 -6.529 1.00 0.00 H new ATOM 483 N TYR A 26 -2.823 -12.750 -8.733 1.00 0.00 N ATOM 484 CA TYR A 26 -2.967 -11.444 -9.411 1.00 0.00 C ATOM 485 C TYR A 26 -1.810 -10.462 -9.162 1.00 0.00 C ATOM 486 O TYR A 26 -1.538 -9.607 -10.003 1.00 0.00 O ATOM 487 CB TYR A 26 -4.243 -10.728 -8.933 1.00 0.00 C ATOM 488 CG TYR A 26 -5.511 -11.555 -8.944 1.00 0.00 C ATOM 489 CD1 TYR A 26 -6.266 -11.690 -10.125 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.922 -12.205 -7.767 1.00 0.00 C ATOM 491 CE1 TYR A 26 -7.433 -12.478 -10.132 1.00 0.00 C ATOM 492 CE2 TYR A 26 -7.071 -13.013 -7.779 1.00 0.00 C ATOM 493 CZ TYR A 26 -7.837 -13.145 -8.956 1.00 0.00 C ATOM 494 OH TYR A 26 -8.969 -13.900 -8.952 1.00 0.00 O ATOM 0 H TYR A 26 -2.308 -12.683 -7.855 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.991 -11.695 -10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -4.076 -10.369 -7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.400 -9.850 -9.560 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.949 -11.188 -11.027 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.356 -12.083 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.017 -12.572 -11.035 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.369 -13.536 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.877 -14.624 -8.298 1.00 0.00 H new ATOM 504 N GLY A 27 -1.179 -10.526 -7.983 1.00 0.00 N ATOM 505 CA GLY A 27 -0.136 -9.621 -7.510 1.00 0.00 C ATOM 506 C GLY A 27 -0.617 -8.537 -6.538 1.00 0.00 C ATOM 507 O GLY A 27 0.223 -7.913 -5.907 1.00 0.00 O ATOM 0 H GLY A 27 -1.398 -11.251 -7.300 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.641 -10.209 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.325 -9.138 -8.372 1.00 0.00 H new ATOM 511 N PHE A 28 -1.927 -8.286 -6.399 1.00 0.00 N ATOM 512 CA PHE A 28 -2.479 -7.295 -5.462 1.00 0.00 C ATOM 513 C PHE A 28 -2.555 -7.843 -4.018 1.00 0.00 C ATOM 514 O PHE A 28 -2.938 -8.994 -3.850 1.00 0.00 O ATOM 515 CB PHE A 28 -3.878 -6.892 -5.952 1.00 0.00 C ATOM 516 CG PHE A 28 -4.747 -6.128 -4.964 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.583 -6.828 -4.069 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.758 -4.720 -4.957 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.489 -6.135 -3.248 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.642 -4.025 -4.112 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.535 -4.733 -3.291 1.00 0.00 C ATOM 0 H PHE A 28 -2.642 -8.771 -6.941 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.818 -6.429 -5.437 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.764 -6.283 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.410 -7.796 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.526 -7.905 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.086 -4.173 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.147 -6.679 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.634 -2.945 -4.094 1.00 0.00 H new ATOM 0 HZ PHE A 28 -7.258 -4.198 -2.692 1.00 0.00 H new ATOM 531 N PRO A 29 -2.279 -7.044 -2.970 1.00 0.00 N ATOM 532 CA PRO A 29 -1.587 -5.770 -3.057 1.00 0.00 C ATOM 533 C PRO A 29 -0.143 -6.014 -3.501 1.00 0.00 C ATOM 534 O PRO A 29 0.472 -7.019 -3.130 1.00 0.00 O ATOM 535 CB PRO A 29 -1.647 -5.175 -1.655 1.00 0.00 C ATOM 536 CG PRO A 29 -1.656 -6.411 -0.753 1.00 0.00 C ATOM 537 CD PRO A 29 -2.437 -7.435 -1.577 1.00 0.00 C ATOM 0 HA PRO A 29 -2.036 -5.091 -3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.789 -4.534 -1.452 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.540 -4.566 -1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.646 -6.757 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.140 -6.209 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.054 -8.442 -1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.489 -7.442 -1.292 1.00 0.00 H new ATOM 545 N ARG A 30 0.399 -5.080 -4.279 1.00 0.00 N ATOM 546 CA ARG A 30 1.759 -5.160 -4.808 1.00 0.00 C ATOM 547 C ARG A 30 2.740 -4.521 -3.812 1.00 0.00 C ATOM 548 O ARG A 30 2.481 -3.410 -3.347 1.00 0.00 O ATOM 549 CB ARG A 30 1.809 -4.489 -6.195 1.00 0.00 C ATOM 550 CG ARG A 30 2.189 -5.497 -7.295 1.00 0.00 C ATOM 551 CD ARG A 30 1.853 -4.997 -8.701 1.00 0.00 C ATOM 552 NE ARG A 30 2.592 -3.772 -9.041 1.00 0.00 N ATOM 553 CZ ARG A 30 2.403 -3.005 -10.106 1.00 0.00 C ATOM 554 NH1 ARG A 30 1.529 -3.318 -11.035 1.00 0.00 N ATOM 555 NH2 ARG A 30 3.098 -1.903 -10.254 1.00 0.00 N ATOM 0 H ARG A 30 -0.099 -4.237 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 30 2.058 -6.201 -4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.838 -4.049 -6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.533 -3.674 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.257 -5.707 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.668 -6.437 -7.115 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.087 -5.775 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.782 -4.806 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 30 3.324 -3.483 -8.392 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.975 -4.170 -10.948 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.404 -2.709 -11.844 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.785 -1.635 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.952 -1.314 -11.074 1.00 0.00 H new ATOM 569 N PRO A 31 3.862 -5.188 -3.471 1.00 0.00 N ATOM 570 CA PRO A 31 4.908 -4.578 -2.652 1.00 0.00 C ATOM 571 C PRO A 31 5.569 -3.416 -3.411 1.00 0.00 C ATOM 572 O PRO A 31 5.597 -3.412 -4.642 1.00 0.00 O ATOM 573 CB PRO A 31 5.888 -5.712 -2.338 1.00 0.00 C ATOM 574 CG PRO A 31 5.736 -6.657 -3.530 1.00 0.00 C ATOM 575 CD PRO A 31 4.264 -6.515 -3.914 1.00 0.00 C ATOM 0 HA PRO A 31 4.523 -4.142 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 31 6.910 -5.345 -2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.641 -6.207 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.394 -6.375 -4.352 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.983 -7.684 -3.262 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.129 -6.625 -4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.660 -7.286 -3.436 1.00 0.00 H new ATOM 583 N LEU A 32 6.081 -2.425 -2.671 1.00 0.00 N ATOM 584 CA LEU A 32 6.564 -1.153 -3.222 1.00 0.00 C ATOM 585 C LEU A 32 7.873 -1.288 -4.020 1.00 0.00 C ATOM 586 O LEU A 32 7.847 -1.306 -5.250 1.00 0.00 O ATOM 587 CB LEU A 32 6.686 -0.122 -2.084 1.00 0.00 C ATOM 588 CG LEU A 32 5.324 0.354 -1.546 1.00 0.00 C ATOM 589 CD1 LEU A 32 5.528 1.153 -0.259 1.00 0.00 C ATOM 590 CD2 LEU A 32 4.592 1.248 -2.547 1.00 0.00 C ATOM 0 H LEU A 32 6.173 -2.485 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 32 5.830 -0.805 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.259 -0.559 -1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.249 0.740 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 32 4.722 -0.537 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.562 1.488 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.011 0.523 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.157 2.019 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.637 1.560 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.199 2.128 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.418 0.694 -3.470 1.00 0.00 H new ATOM 732 N VAL A 41 7.215 -3.734 2.082 1.00 0.00 N ATOM 733 CA VAL A 41 6.288 -2.668 2.488 1.00 0.00 C ATOM 734 C VAL A 41 5.338 -2.228 1.369 1.00 0.00 C ATOM 735 O VAL A 41 5.560 -2.481 0.183 1.00 0.00 O ATOM 736 CB VAL A 41 7.008 -1.448 3.102 1.00 0.00 C ATOM 737 CG1 VAL A 41 7.590 -1.774 4.482 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.083 -0.858 2.185 1.00 0.00 C ATOM 0 HA VAL A 41 5.676 -3.120 3.269 1.00 0.00 H new ATOM 0 HB VAL A 41 6.243 -0.681 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.089 -0.892 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.786 -2.074 5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.309 -2.588 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.551 -0.004 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.839 -1.615 1.976 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.626 -0.534 1.250 1.00 0.00 H new ATOM 748 N TYR A 42 4.268 -1.560 1.809 1.00 0.00 N ATOM 749 CA TYR A 42 3.028 -1.239 1.115 1.00 0.00 C ATOM 750 C TYR A 42 2.514 0.139 1.551 1.00 0.00 C ATOM 751 O TYR A 42 2.728 0.554 2.695 1.00 0.00 O ATOM 752 CB TYR A 42 1.986 -2.290 1.514 1.00 0.00 C ATOM 753 CG TYR A 42 2.307 -3.687 1.034 1.00 0.00 C ATOM 754 CD1 TYR A 42 3.219 -4.505 1.729 1.00 0.00 C ATOM 755 CD2 TYR A 42 1.709 -4.153 -0.146 1.00 0.00 C ATOM 756 CE1 TYR A 42 3.573 -5.762 1.211 1.00 0.00 C ATOM 757 CE2 TYR A 42 2.002 -5.442 -0.612 1.00 0.00 C ATOM 758 CZ TYR A 42 2.946 -6.248 0.049 1.00 0.00 C ATOM 759 OH TYR A 42 3.257 -7.478 -0.441 1.00 0.00 O ATOM 0 H TYR A 42 4.253 -1.195 2.761 1.00 0.00 H new ATOM 0 HA TYR A 42 3.201 -1.231 0.039 1.00 0.00 H new ATOM 0 HB2 TYR A 42 1.895 -2.302 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.015 -1.994 1.116 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.647 -4.166 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.025 -3.521 -0.693 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.327 -6.356 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.497 -5.820 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 42 2.729 -7.652 -1.248 1.00 0.00 H new ATOM 769 N SER A 43 1.791 0.820 0.656 1.00 0.00 N ATOM 770 CA SER A 43 1.152 2.114 0.924 1.00 0.00 C ATOM 771 C SER A 43 -0.248 1.961 1.536 1.00 0.00 C ATOM 772 O SER A 43 -0.901 0.923 1.400 1.00 0.00 O ATOM 773 CB SER A 43 1.036 2.918 -0.374 1.00 0.00 C ATOM 774 OG SER A 43 2.312 3.342 -0.797 1.00 0.00 O ATOM 0 H SER A 43 1.630 0.482 -0.293 1.00 0.00 H new ATOM 0 HA SER A 43 1.782 2.635 1.645 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.572 2.308 -1.149 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.390 3.782 -0.219 1.00 0.00 H new ATOM 0 HG SER A 43 2.228 3.854 -1.629 1.00 0.00 H new ATOM 780 N ARG A 44 -0.745 3.044 2.158 1.00 0.00 N ATOM 781 CA ARG A 44 -2.095 3.100 2.741 1.00 0.00 C ATOM 782 C ARG A 44 -3.200 2.902 1.693 1.00 0.00 C ATOM 783 O ARG A 44 -4.206 2.280 2.004 1.00 0.00 O ATOM 784 CB ARG A 44 -2.300 4.419 3.512 1.00 0.00 C ATOM 785 CG ARG A 44 -3.433 4.306 4.555 1.00 0.00 C ATOM 786 CD ARG A 44 -2.917 4.067 5.984 1.00 0.00 C ATOM 787 NE ARG A 44 -2.785 5.334 6.730 1.00 0.00 N ATOM 788 CZ ARG A 44 -2.420 5.486 7.997 1.00 0.00 C ATOM 789 NH1 ARG A 44 -1.975 4.482 8.716 1.00 0.00 N ATOM 790 NH2 ARG A 44 -2.504 6.665 8.572 1.00 0.00 N ATOM 0 H ARG A 44 -0.218 3.910 2.271 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.173 2.268 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.372 4.695 4.013 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.533 5.218 2.808 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.027 5.220 4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.097 3.489 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.600 3.402 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.950 3.565 5.944 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.998 6.188 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.902 3.552 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.702 4.632 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.850 7.466 8.044 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.223 6.779 9.546 1.00 0.00 H new ATOM 804 N GLU A 45 -3.011 3.385 0.461 1.00 0.00 N ATOM 805 CA GLU A 45 -3.931 3.202 -0.675 1.00 0.00 C ATOM 806 C GLU A 45 -4.199 1.722 -1.010 1.00 0.00 C ATOM 807 O GLU A 45 -5.357 1.322 -1.142 1.00 0.00 O ATOM 808 CB GLU A 45 -3.408 3.962 -1.910 1.00 0.00 C ATOM 809 CG GLU A 45 -1.901 3.772 -2.155 1.00 0.00 C ATOM 810 CD GLU A 45 -1.486 4.119 -3.583 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.844 3.337 -4.488 1.00 0.00 O ATOM 812 OE2 GLU A 45 -0.762 5.127 -3.733 1.00 0.00 O ATOM 0 H GLU A 45 -2.187 3.933 0.215 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.892 3.620 -0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.956 3.628 -2.791 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.617 5.025 -1.788 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.342 4.396 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.631 2.737 -1.944 1.00 0.00 H new ATOM 819 N GLU A 46 -3.149 0.895 -1.094 1.00 0.00 N ATOM 820 CA GLU A 46 -3.286 -0.550 -1.280 1.00 0.00 C ATOM 821 C GLU A 46 -4.035 -1.158 -0.091 1.00 0.00 C ATOM 822 O GLU A 46 -4.993 -1.896 -0.298 1.00 0.00 O ATOM 823 CB GLU A 46 -1.911 -1.220 -1.474 1.00 0.00 C ATOM 824 CG GLU A 46 -1.331 -1.071 -2.892 1.00 0.00 C ATOM 825 CD GLU A 46 -1.957 -2.040 -3.913 1.00 0.00 C ATOM 826 OE1 GLU A 46 -3.184 -1.961 -4.134 1.00 0.00 O ATOM 827 OE2 GLU A 46 -1.210 -2.886 -4.465 1.00 0.00 O ATOM 0 H GLU A 46 -2.181 1.212 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.864 -0.732 -2.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.207 -0.793 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.000 -2.281 -1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.483 -0.047 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.255 -1.238 -2.856 1.00 0.00 H new ATOM 834 N VAL A 47 -3.659 -0.810 1.150 1.00 0.00 N ATOM 835 CA VAL A 47 -4.376 -1.253 2.359 1.00 0.00 C ATOM 836 C VAL A 47 -5.853 -0.843 2.340 1.00 0.00 C ATOM 837 O VAL A 47 -6.687 -1.680 2.662 1.00 0.00 O ATOM 838 CB VAL A 47 -3.667 -0.783 3.643 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.524 -0.996 4.905 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.347 -1.544 3.825 1.00 0.00 C ATOM 0 H VAL A 47 -2.853 -0.216 1.344 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.355 -2.343 2.358 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.489 0.286 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.976 -0.647 5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.454 -0.435 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.750 -2.057 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.854 -1.204 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.550 -2.612 3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.698 -1.357 2.969 1.00 0.00 H new ATOM 850 N GLU A 48 -6.194 0.393 1.959 1.00 0.00 N ATOM 851 CA GLU A 48 -7.570 0.886 1.835 1.00 0.00 C ATOM 852 C GLU A 48 -8.388 -0.048 0.937 1.00 0.00 C ATOM 853 O GLU A 48 -9.387 -0.625 1.378 1.00 0.00 O ATOM 854 CB GLU A 48 -7.556 2.336 1.306 1.00 0.00 C ATOM 855 CG GLU A 48 -8.933 3.013 1.326 1.00 0.00 C ATOM 856 CD GLU A 48 -9.423 3.245 2.759 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.059 4.289 3.333 1.00 0.00 O ATOM 858 OE2 GLU A 48 -10.136 2.351 3.288 1.00 0.00 O ATOM 0 H GLU A 48 -5.498 1.100 1.721 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.049 0.893 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.862 2.925 1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.175 2.337 0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.879 3.966 0.800 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.652 2.394 0.790 1.00 0.00 H new ATOM 865 N ALA A 49 -7.912 -0.264 -0.297 1.00 0.00 N ATOM 866 CA ALA A 49 -8.503 -1.222 -1.220 1.00 0.00 C ATOM 867 C ALA A 49 -8.574 -2.629 -0.606 1.00 0.00 C ATOM 868 O ALA A 49 -9.666 -3.179 -0.494 1.00 0.00 O ATOM 869 CB ALA A 49 -7.728 -1.198 -2.539 1.00 0.00 C ATOM 0 H ALA A 49 -7.103 0.227 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.534 -0.934 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.168 -1.914 -3.233 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.776 -0.198 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.687 -1.464 -2.354 1.00 0.00 H new ATOM 875 N VAL A 50 -7.445 -3.206 -0.176 1.00 0.00 N ATOM 876 CA VAL A 50 -7.323 -4.560 0.399 1.00 0.00 C ATOM 877 C VAL A 50 -8.300 -4.791 1.544 1.00 0.00 C ATOM 878 O VAL A 50 -9.000 -5.801 1.558 1.00 0.00 O ATOM 879 CB VAL A 50 -5.887 -4.795 0.894 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.730 -6.011 1.815 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.943 -5.001 -0.282 1.00 0.00 C ATOM 0 H VAL A 50 -6.548 -2.723 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.566 -5.269 -0.393 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.642 -3.899 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.687 -6.105 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.355 -5.881 2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.036 -6.912 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.931 -5.166 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.264 -5.868 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.957 -4.117 -0.919 1.00 0.00 H new ATOM 891 N ARG A 51 -8.337 -3.875 2.514 1.00 0.00 N ATOM 892 CA ARG A 51 -9.198 -3.927 3.692 1.00 0.00 C ATOM 893 C ARG A 51 -10.673 -3.923 3.284 1.00 0.00 C ATOM 894 O ARG A 51 -11.455 -4.670 3.872 1.00 0.00 O ATOM 895 CB ARG A 51 -8.794 -2.760 4.607 1.00 0.00 C ATOM 896 CG ARG A 51 -9.509 -2.698 5.964 1.00 0.00 C ATOM 897 CD ARG A 51 -10.665 -1.692 5.953 1.00 0.00 C ATOM 898 NE ARG A 51 -11.144 -1.432 7.322 1.00 0.00 N ATOM 899 CZ ARG A 51 -11.739 -0.330 7.765 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.030 0.677 6.973 1.00 0.00 N ATOM 901 NH2 ARG A 51 -12.053 -0.223 9.036 1.00 0.00 N ATOM 0 H ARG A 51 -7.744 -3.045 2.497 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.069 -4.855 4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.720 -2.818 4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.979 -1.826 4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.890 -3.687 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.794 -2.422 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.337 -0.759 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.483 -2.077 5.344 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.004 -2.178 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.799 0.629 5.981 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.487 1.507 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.840 -0.985 9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.510 0.622 9.379 1.00 0.00 H new ATOM 915 N ARG A 52 -11.036 -3.153 2.248 1.00 0.00 N ATOM 916 CA ARG A 52 -12.354 -3.204 1.605 1.00 0.00 C ATOM 917 C ARG A 52 -12.601 -4.549 0.917 1.00 0.00 C ATOM 918 O ARG A 52 -13.562 -5.226 1.274 1.00 0.00 O ATOM 919 CB ARG A 52 -12.515 -2.025 0.630 1.00 0.00 C ATOM 920 CG ARG A 52 -13.959 -1.516 0.636 1.00 0.00 C ATOM 921 CD ARG A 52 -14.143 -0.438 -0.434 1.00 0.00 C ATOM 922 NE ARG A 52 -15.383 0.325 -0.210 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.774 1.406 -0.873 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.112 1.858 -1.912 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.847 2.058 -0.490 1.00 0.00 N ATOM 0 H ARG A 52 -10.410 -2.466 1.827 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.114 -3.111 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.838 -1.218 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.238 -2.338 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.645 -2.343 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.205 -1.111 1.617 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -13.289 0.239 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -14.170 -0.901 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 52 -16.002 -0.011 0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.272 1.376 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.438 2.692 -2.401 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -17.380 1.734 0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.148 2.889 -0.999 1.00 0.00 H new ATOM 939 N VAL A 53 -11.723 -4.951 -0.014 1.00 0.00 N ATOM 940 CA VAL A 53 -11.759 -6.217 -0.768 1.00 0.00 C ATOM 941 C VAL A 53 -11.966 -7.401 0.177 1.00 0.00 C ATOM 942 O VAL A 53 -12.900 -8.176 -0.005 1.00 0.00 O ATOM 943 CB VAL A 53 -10.482 -6.394 -1.633 1.00 0.00 C ATOM 944 CG1 VAL A 53 -10.438 -7.784 -2.273 1.00 0.00 C ATOM 945 CG2 VAL A 53 -10.353 -5.330 -2.737 1.00 0.00 C ATOM 0 H VAL A 53 -10.925 -4.372 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.608 -6.182 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.642 -6.273 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.533 -7.880 -2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -10.438 -8.544 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.312 -7.919 -2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.441 -5.506 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.215 -5.389 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.312 -4.339 -2.284 1.00 0.00 H new ATOM 955 N ALA A 54 -11.131 -7.523 1.211 1.00 0.00 N ATOM 956 CA ALA A 54 -11.200 -8.559 2.231 1.00 0.00 C ATOM 957 C ALA A 54 -12.514 -8.562 3.027 1.00 0.00 C ATOM 958 O ALA A 54 -13.034 -9.631 3.348 1.00 0.00 O ATOM 959 CB ALA A 54 -10.019 -8.366 3.171 1.00 0.00 C ATOM 0 H ALA A 54 -10.359 -6.874 1.362 1.00 0.00 H new ATOM 0 HA ALA A 54 -11.163 -9.526 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -10.044 -9.130 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -9.089 -8.450 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -10.077 -7.379 3.630 1.00 0.00 H new ATOM 965 N ARG A 55 -13.065 -7.384 3.355 1.00 0.00 N ATOM 966 CA ARG A 55 -14.370 -7.300 4.014 1.00 0.00 C ATOM 967 C ARG A 55 -15.506 -7.702 3.064 1.00 0.00 C ATOM 968 O ARG A 55 -16.406 -8.423 3.476 1.00 0.00 O ATOM 969 CB ARG A 55 -14.578 -5.894 4.594 1.00 0.00 C ATOM 970 CG ARG A 55 -15.669 -5.941 5.672 1.00 0.00 C ATOM 971 CD ARG A 55 -16.302 -4.570 5.934 1.00 0.00 C ATOM 972 NE ARG A 55 -17.768 -4.700 6.004 1.00 0.00 N ATOM 973 CZ ARG A 55 -18.645 -3.830 6.477 1.00 0.00 C ATOM 974 NH1 ARG A 55 -18.266 -2.683 6.995 1.00 0.00 N ATOM 975 NH2 ARG A 55 -19.926 -4.107 6.432 1.00 0.00 N ATOM 0 H ARG A 55 -12.626 -6.481 3.174 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.388 -8.012 4.839 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.646 -5.524 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.864 -5.201 3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.445 -6.643 5.367 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.241 -6.322 6.599 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -15.920 -4.156 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.027 -3.875 5.140 1.00 0.00 H new ATOM 0 HE ARG A 55 -18.156 -5.571 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -17.275 -2.446 7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -18.963 -2.030 7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -20.243 -4.991 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -20.605 -3.439 6.796 1.00 0.00 H new ATOM 989 N LEU A 56 -15.442 -7.299 1.793 1.00 0.00 N ATOM 990 CA LEU A 56 -16.357 -7.734 0.730 1.00 0.00 C ATOM 991 C LEU A 56 -16.251 -9.251 0.460 1.00 0.00 C ATOM 992 O LEU A 56 -17.254 -9.927 0.242 1.00 0.00 O ATOM 993 CB LEU A 56 -16.077 -6.874 -0.521 1.00 0.00 C ATOM 994 CG LEU A 56 -17.251 -5.947 -0.892 1.00 0.00 C ATOM 995 CD1 LEU A 56 -16.740 -4.661 -1.544 1.00 0.00 C ATOM 996 CD2 LEU A 56 -18.213 -6.643 -1.853 1.00 0.00 C ATOM 0 H LEU A 56 -14.734 -6.643 1.464 1.00 0.00 H new ATOM 0 HA LEU A 56 -17.391 -7.581 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.186 -6.271 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.859 -7.530 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.778 -5.702 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -17.585 -4.021 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.084 -4.137 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.187 -4.908 -2.450 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -19.033 -5.968 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.682 -6.917 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.612 -7.541 -1.382 1.00 0.00 H new ATOM 1008 N ILE A 57 -15.049 -9.827 0.561 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.807 -11.277 0.528 1.00 0.00 C ATOM 1010 C ILE A 57 -15.521 -12.019 1.660 1.00 0.00 C ATOM 1011 O ILE A 57 -15.987 -13.131 1.431 1.00 0.00 O ATOM 1012 CB ILE A 57 -13.288 -11.545 0.518 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.800 -11.317 -0.920 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.867 -12.934 1.036 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -11.298 -11.091 -0.991 1.00 0.00 C ATOM 0 H ILE A 57 -14.192 -9.284 0.671 1.00 0.00 H new ATOM 0 HA ILE A 57 -15.237 -11.675 -0.391 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.821 -10.858 1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -13.065 -12.179 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.315 -10.455 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.782 -13.026 0.989 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.197 -13.053 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.324 -13.707 0.417 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.002 -10.935 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.034 -10.213 -0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -10.780 -11.964 -0.593 1.00 0.00 H new ATOM 1027 N GLN A 58 -15.673 -11.411 2.843 1.00 0.00 N ATOM 1028 CA GLN A 58 -16.509 -11.971 3.910 1.00 0.00 C ATOM 1029 C GLN A 58 -18.001 -12.071 3.530 1.00 0.00 C ATOM 1030 O GLN A 58 -18.734 -12.780 4.216 1.00 0.00 O ATOM 1031 CB GLN A 58 -16.311 -11.190 5.231 1.00 0.00 C ATOM 1032 CG GLN A 58 -15.416 -11.917 6.245 1.00 0.00 C ATOM 1033 CD GLN A 58 -16.003 -13.245 6.708 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -16.933 -13.301 7.494 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -15.472 -14.365 6.258 1.00 0.00 N ATOM 0 H GLN A 58 -15.225 -10.527 3.085 1.00 0.00 H new ATOM 0 HA GLN A 58 -16.173 -12.997 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.875 -10.217 5.006 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -17.285 -11.006 5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -14.438 -12.094 5.798 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -15.259 -11.273 7.111 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -14.693 -14.332 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.840 -15.264 6.568 1.00 0.00 H new ATOM 1044 N GLU A 59 -18.458 -11.421 2.449 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.852 -11.483 1.986 1.00 0.00 C ATOM 1046 C GLU A 59 -20.069 -12.602 0.949 1.00 0.00 C ATOM 1047 O GLU A 59 -21.094 -13.278 1.007 1.00 0.00 O ATOM 1048 CB GLU A 59 -20.314 -10.103 1.465 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.961 -8.970 2.453 1.00 0.00 C ATOM 1050 CD GLU A 59 -20.569 -7.603 2.116 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.648 -7.266 0.920 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -20.898 -6.871 3.089 1.00 0.00 O ATOM 0 H GLU A 59 -17.864 -10.832 1.866 1.00 0.00 H new ATOM 0 HA GLU A 59 -20.477 -11.740 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.847 -9.903 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.391 -10.119 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -20.291 -9.262 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.876 -8.868 2.493 1.00 0.00 H new ATOM 1059 N GLU A 60 -19.105 -12.845 0.045 1.00 0.00 N ATOM 1060 CA GLU A 60 -19.162 -13.948 -0.942 1.00 0.00 C ATOM 1061 C GLU A 60 -17.812 -14.593 -1.298 1.00 0.00 C ATOM 1062 O GLU A 60 -17.760 -15.795 -1.548 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.799 -13.467 -2.261 1.00 0.00 C ATOM 1064 CG GLU A 60 -21.322 -13.634 -2.290 1.00 0.00 C ATOM 1065 CD GLU A 60 -21.862 -13.430 -3.710 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -21.551 -14.286 -4.570 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -22.563 -12.416 -3.927 1.00 0.00 O ATOM 0 H GLU A 60 -18.258 -12.281 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.762 -14.708 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.552 -12.417 -2.415 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -19.363 -14.022 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -21.591 -14.628 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.785 -12.916 -1.613 1.00 0.00 H new ATOM 1074 N GLY A 61 -16.736 -13.810 -1.406 1.00 0.00 N ATOM 1075 CA GLY A 61 -15.418 -14.281 -1.844 1.00 0.00 C ATOM 1076 C GLY A 61 -15.111 -14.005 -3.318 1.00 0.00 C ATOM 1077 O GLY A 61 -13.944 -13.824 -3.658 1.00 0.00 O ATOM 0 H GLY A 61 -16.756 -12.814 -1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.653 -13.806 -1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.350 -15.354 -1.665 1.00 0.00 H new ATOM 1081 N LEU A 62 -16.136 -13.855 -4.170 1.00 0.00 N ATOM 1082 CA LEU A 62 -16.033 -13.376 -5.561 1.00 0.00 C ATOM 1083 C LEU A 62 -15.170 -12.105 -5.669 1.00 0.00 C ATOM 1084 O LEU A 62 -14.372 -11.968 -6.599 1.00 0.00 O ATOM 1085 CB LEU A 62 -17.468 -13.184 -6.103 1.00 0.00 C ATOM 1086 CG LEU A 62 -17.641 -12.256 -7.324 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -16.928 -12.757 -8.586 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -19.123 -12.093 -7.652 1.00 0.00 C ATOM 0 H LEU A 62 -17.096 -14.071 -3.902 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.517 -14.112 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -17.864 -14.165 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -18.086 -12.796 -5.293 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.186 -11.307 -7.039 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.095 -12.053 -9.402 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -15.859 -12.840 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -17.323 -13.734 -8.863 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -19.235 -11.436 -8.515 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -19.555 -13.068 -7.879 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -19.639 -11.658 -6.796 1.00 0.00 H new ATOM 1100 N SER A 63 -15.263 -11.217 -4.671 1.00 0.00 N ATOM 1101 CA SER A 63 -14.433 -10.017 -4.545 1.00 0.00 C ATOM 1102 C SER A 63 -12.921 -10.260 -4.541 1.00 0.00 C ATOM 1103 O SER A 63 -12.201 -9.309 -4.833 1.00 0.00 O ATOM 1104 CB SER A 63 -14.876 -9.182 -3.348 1.00 0.00 C ATOM 1105 OG SER A 63 -15.944 -8.360 -3.763 1.00 0.00 O ATOM 0 H SER A 63 -15.935 -11.318 -3.911 1.00 0.00 H new ATOM 0 HA SER A 63 -14.603 -9.454 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.188 -9.828 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.049 -8.575 -2.979 1.00 0.00 H new ATOM 0 HG SER A 63 -15.700 -7.419 -3.639 1.00 0.00 H new ATOM 1111 N VAL A 64 -12.429 -11.497 -4.353 1.00 0.00 N ATOM 1112 CA VAL A 64 -11.052 -11.867 -4.713 1.00 0.00 C ATOM 1113 C VAL A 64 -10.748 -11.434 -6.143 1.00 0.00 C ATOM 1114 O VAL A 64 -9.808 -10.680 -6.348 1.00 0.00 O ATOM 1115 CB VAL A 64 -10.784 -13.378 -4.521 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -9.545 -13.858 -5.291 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -10.580 -13.711 -3.040 1.00 0.00 C ATOM 0 H VAL A 64 -12.971 -12.262 -3.950 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.380 -11.341 -4.035 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.663 -13.890 -4.912 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.402 -14.925 -5.122 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.685 -13.675 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.667 -13.315 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.393 -14.779 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.727 -13.152 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.474 -13.439 -2.479 1.00 0.00 H new ATOM 1127 N SER A 65 -11.527 -11.889 -7.126 1.00 0.00 N ATOM 1128 CA SER A 65 -11.310 -11.483 -8.513 1.00 0.00 C ATOM 1129 C SER A 65 -12.008 -10.157 -8.812 1.00 0.00 C ATOM 1130 O SER A 65 -11.417 -9.294 -9.458 1.00 0.00 O ATOM 1131 CB SER A 65 -11.776 -12.580 -9.475 1.00 0.00 C ATOM 1132 OG SER A 65 -10.820 -12.732 -10.511 1.00 0.00 O ATOM 0 H SER A 65 -12.306 -12.533 -6.988 1.00 0.00 H new ATOM 0 HA SER A 65 -10.240 -11.335 -8.660 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.901 -13.521 -8.939 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.748 -12.322 -9.896 1.00 0.00 H new ATOM 0 HG SER A 65 -9.947 -12.947 -10.121 1.00 0.00 H new ATOM 1138 N GLU A 66 -13.247 -9.986 -8.334 1.00 0.00 N ATOM 1139 CA GLU A 66 -14.096 -8.853 -8.699 1.00 0.00 C ATOM 1140 C GLU A 66 -13.543 -7.524 -8.181 1.00 0.00 C ATOM 1141 O GLU A 66 -13.411 -6.586 -8.959 1.00 0.00 O ATOM 1142 CB GLU A 66 -15.526 -9.069 -8.183 1.00 0.00 C ATOM 1143 CG GLU A 66 -16.571 -8.256 -8.955 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.057 -9.014 -10.192 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -16.198 -9.332 -11.040 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -18.279 -9.279 -10.261 1.00 0.00 O ATOM 0 H GLU A 66 -13.687 -10.634 -7.681 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.109 -8.798 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.775 -10.128 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.570 -8.799 -7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.417 -8.035 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.142 -7.300 -9.256 1.00 0.00 H new ATOM 1153 N ALA A 67 -13.210 -7.416 -6.888 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.770 -6.147 -6.321 1.00 0.00 C ATOM 1155 C ALA A 67 -11.317 -5.810 -6.710 1.00 0.00 C ATOM 1156 O ALA A 67 -10.974 -4.631 -6.804 1.00 0.00 O ATOM 1157 CB ALA A 67 -13.001 -6.138 -4.813 1.00 0.00 C ATOM 0 H ALA A 67 -13.238 -8.190 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.375 -5.348 -6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.669 -5.186 -4.400 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.063 -6.273 -4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -12.437 -6.949 -4.354 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.483 -6.820 -7.021 1.00 0.00 N ATOM 1164 CA ILE A 68 -9.190 -6.618 -7.699 1.00 0.00 C ATOM 1165 C ILE A 68 -9.425 -6.059 -9.109 1.00 0.00 C ATOM 1166 O ILE A 68 -8.840 -5.034 -9.455 1.00 0.00 O ATOM 1167 CB ILE A 68 -8.313 -7.895 -7.693 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.882 -8.164 -6.235 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -7.083 -7.709 -8.592 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.992 -9.398 -6.028 1.00 0.00 C ATOM 0 H ILE A 68 -10.687 -7.797 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.617 -5.880 -7.137 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.878 -8.742 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.351 -7.288 -5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.778 -8.277 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.479 -8.616 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.406 -7.507 -9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.489 -6.871 -8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.746 -9.496 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.523 -10.290 -6.362 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.074 -9.285 -6.605 1.00 0.00 H new ATOM 1182 N ALA A 69 -10.289 -6.691 -9.914 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.664 -6.181 -11.234 1.00 0.00 C ATOM 1184 C ALA A 69 -11.237 -4.756 -11.150 1.00 0.00 C ATOM 1185 O ALA A 69 -10.822 -3.902 -11.929 1.00 0.00 O ATOM 1186 CB ALA A 69 -11.631 -7.159 -11.913 1.00 0.00 C ATOM 0 H ALA A 69 -10.746 -7.569 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.768 -6.110 -11.850 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.907 -6.775 -12.895 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.148 -8.129 -12.026 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -12.527 -7.269 -11.301 1.00 0.00 H new ATOM 1192 N GLN A 70 -12.114 -4.475 -10.176 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.605 -3.131 -9.863 1.00 0.00 C ATOM 1194 C GLN A 70 -11.445 -2.173 -9.581 1.00 0.00 C ATOM 1195 O GLN A 70 -11.239 -1.267 -10.379 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.625 -3.138 -8.716 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.987 -3.709 -9.143 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.911 -3.975 -7.955 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.929 -3.265 -6.961 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.724 -5.011 -8.010 1.00 0.00 N ATOM 0 H GLN A 70 -12.509 -5.195 -9.571 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.132 -2.767 -10.745 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.231 -3.727 -7.888 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.760 -2.121 -8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.471 -3.011 -9.826 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.832 -4.637 -9.693 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.724 -5.616 -8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -17.353 -5.208 -7.231 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.637 -2.372 -8.529 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.567 -1.410 -8.205 1.00 0.00 C ATOM 1211 C VAL A 71 -8.515 -1.262 -9.324 1.00 0.00 C ATOM 1212 O VAL A 71 -7.897 -0.208 -9.442 1.00 0.00 O ATOM 1213 CB VAL A 71 -8.938 -1.716 -6.830 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.898 -2.841 -6.869 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.295 -0.462 -6.230 1.00 0.00 C ATOM 0 H VAL A 71 -10.699 -3.172 -7.899 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.040 -0.430 -8.135 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.763 -2.054 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.498 -3.002 -5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.368 -3.758 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.088 -2.564 -7.543 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.859 -0.705 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.514 -0.098 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.053 0.311 -6.103 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.329 -2.282 -10.180 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.498 -2.208 -11.394 1.00 0.00 C ATOM 1227 C LYS A 72 -8.167 -1.454 -12.558 1.00 0.00 C ATOM 1228 O LYS A 72 -7.448 -0.838 -13.342 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.135 -3.632 -11.851 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.156 -4.391 -10.928 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.702 -4.431 -11.438 1.00 0.00 C ATOM 1232 CE LYS A 72 -3.773 -3.439 -10.731 1.00 0.00 C ATOM 1233 NZ LYS A 72 -3.307 -3.952 -9.421 1.00 0.00 N ATOM 0 H LYS A 72 -8.760 -3.197 -10.045 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.607 -1.640 -11.127 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.053 -4.214 -11.937 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.699 -3.576 -12.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.170 -3.925 -9.943 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.513 -5.413 -10.803 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.309 -5.439 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.696 -4.222 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.912 -3.232 -11.367 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.296 -2.494 -10.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.681 -3.251 -8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.127 -4.125 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.786 -4.841 -9.562 1.00 0.00 H new ATOM 1247 N THR A 73 -9.497 -1.518 -12.711 1.00 0.00 N ATOM 1248 CA THR A 73 -10.253 -0.857 -13.798 1.00 0.00 C ATOM 1249 C THR A 73 -10.762 0.544 -13.413 1.00 0.00 C ATOM 1250 O THR A 73 -10.981 1.383 -14.285 1.00 0.00 O ATOM 1251 CB THR A 73 -11.385 -1.784 -14.303 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.664 -1.545 -15.664 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.709 -1.666 -13.555 1.00 0.00 C ATOM 0 H THR A 73 -10.095 -2.041 -12.071 1.00 0.00 H new ATOM 0 HA THR A 73 -9.562 -0.687 -14.624 1.00 0.00 H new ATOM 0 HB THR A 73 -10.989 -2.784 -14.127 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.381 -2.143 -15.961 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.434 -2.357 -13.987 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.556 -1.911 -12.504 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.085 -0.646 -13.639 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.911 0.819 -12.114 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.188 2.133 -11.532 1.00 0.00 C ATOM 1263 C GLU A 74 -10.015 3.115 -11.733 1.00 0.00 C ATOM 1264 O GLU A 74 -8.869 2.699 -11.921 1.00 0.00 O ATOM 1265 CB GLU A 74 -11.471 1.967 -10.025 1.00 0.00 C ATOM 1266 CG GLU A 74 -12.911 1.522 -9.749 1.00 0.00 C ATOM 1267 CD GLU A 74 -13.163 1.434 -8.245 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -12.872 0.360 -7.665 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -13.630 2.444 -7.675 1.00 0.00 O ATOM 0 H GLU A 74 -10.837 0.091 -11.403 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.056 2.551 -12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.780 1.235 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.281 2.912 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.609 2.227 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.094 0.552 -10.212 1.00 0.00 H new