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 172:sc= 0 USER MOD Set 1.2: A 65 SER OG : rot 61:sc= 0.167 USER MOD Single : A 7 THR OG1 : rot -120:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 68:sc= 0.408 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -20:sc= 0.502 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 63 SER OG : rot -100:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.485 K(o=0.48,f=-0.78) 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 4.119 0.315 5.753 1.00 0.00 N ATOM 71 CA LEU A 3 4.161 -0.885 6.598 1.00 0.00 C ATOM 72 C LEU A 3 4.289 -2.161 5.742 1.00 0.00 C ATOM 73 O LEU A 3 4.421 -2.080 4.524 1.00 0.00 O ATOM 74 CB LEU A 3 2.930 -0.903 7.534 1.00 0.00 C ATOM 75 CG LEU A 3 3.085 -0.196 8.898 1.00 0.00 C ATOM 76 CD1 LEU A 3 4.287 -0.711 9.701 1.00 0.00 C ATOM 77 CD2 LEU A 3 3.130 1.328 8.806 1.00 0.00 C ATOM 0 HA LEU A 3 5.050 -0.859 7.228 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.094 -0.444 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.658 -1.942 7.718 1.00 0.00 H new ATOM 0 HG LEU A 3 2.174 -0.457 9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.346 -0.178 10.650 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.168 -1.778 9.891 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.202 -0.544 9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.240 1.750 9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.976 1.630 8.189 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.206 1.693 8.358 1.00 0.00 H new ATOM 89 N ARG A 4 4.310 -3.345 6.374 1.00 0.00 N ATOM 90 CA ARG A 4 4.542 -4.635 5.703 1.00 0.00 C ATOM 91 C ARG A 4 3.263 -5.465 5.626 1.00 0.00 C ATOM 92 O ARG A 4 2.319 -5.214 6.376 1.00 0.00 O ATOM 93 CB ARG A 4 5.648 -5.422 6.432 1.00 0.00 C ATOM 94 CG ARG A 4 6.997 -4.679 6.508 1.00 0.00 C ATOM 95 CD ARG A 4 7.800 -5.072 7.760 1.00 0.00 C ATOM 96 NE ARG A 4 8.471 -3.897 8.346 1.00 0.00 N ATOM 97 CZ ARG A 4 9.322 -3.879 9.363 1.00 0.00 C ATOM 98 NH1 ARG A 4 9.769 -4.984 9.914 1.00 0.00 N ATOM 99 NH2 ARG A 4 9.735 -2.733 9.852 1.00 0.00 N ATOM 0 H ARG A 4 4.164 -3.435 7.380 1.00 0.00 H new ATOM 0 HA ARG A 4 4.864 -4.428 4.683 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.312 -5.649 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 4 5.797 -6.375 5.924 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.584 -4.900 5.616 1.00 0.00 H new ATOM 0 HG3 ARG A 4 6.819 -3.604 6.514 1.00 0.00 H new ATOM 0 HD2 ARG A 4 7.135 -5.521 8.497 1.00 0.00 H new ATOM 0 HD3 ARG A 4 8.542 -5.827 7.499 1.00 0.00 H new ATOM 0 HE ARG A 4 8.256 -2.995 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.462 -5.890 9.561 1.00 0.00 H new ATOM 0 HH12 ARG A 4 10.423 -4.936 10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.401 -1.857 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 4 10.389 -2.718 10.634 1.00 0.00 H new ATOM 113 N ILE A 5 3.265 -6.527 4.804 1.00 0.00 N ATOM 114 CA ILE A 5 2.127 -7.460 4.713 1.00 0.00 C ATOM 115 C ILE A 5 1.733 -8.035 6.080 1.00 0.00 C ATOM 116 O ILE A 5 0.558 -8.281 6.319 1.00 0.00 O ATOM 117 CB ILE A 5 2.369 -8.586 3.674 1.00 0.00 C ATOM 118 CG1 ILE A 5 1.035 -9.053 3.059 1.00 0.00 C ATOM 119 CG2 ILE A 5 3.114 -9.804 4.249 1.00 0.00 C ATOM 120 CD1 ILE A 5 0.407 -8.017 2.115 1.00 0.00 C ATOM 0 H ILE A 5 4.045 -6.763 4.190 1.00 0.00 H new ATOM 0 HA ILE A 5 1.282 -6.871 4.357 1.00 0.00 H new ATOM 0 HB ILE A 5 3.008 -8.148 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.200 -9.981 2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.332 -9.277 3.861 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.248 -10.551 3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.089 -9.491 4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.533 -10.234 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.529 -8.408 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 5 0.211 -7.096 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.093 -7.810 1.293 1.00 0.00 H new ATOM 132 N ARG A 6 2.701 -8.174 6.999 1.00 0.00 N ATOM 133 CA ARG A 6 2.511 -8.566 8.400 1.00 0.00 C ATOM 134 C ARG A 6 1.487 -7.665 9.107 1.00 0.00 C ATOM 135 O ARG A 6 0.624 -8.168 9.820 1.00 0.00 O ATOM 136 CB ARG A 6 3.890 -8.561 9.102 1.00 0.00 C ATOM 137 CG ARG A 6 4.211 -9.842 9.902 1.00 0.00 C ATOM 138 CD ARG A 6 4.319 -9.632 11.422 1.00 0.00 C ATOM 139 NE ARG A 6 3.212 -10.269 12.155 1.00 0.00 N ATOM 140 CZ ARG A 6 2.982 -10.196 13.461 1.00 0.00 C ATOM 141 NH1 ARG A 6 3.709 -9.440 14.253 1.00 0.00 N ATOM 142 NH2 ARG A 6 2.014 -10.896 14.002 1.00 0.00 N ATOM 0 H ARG A 6 3.682 -8.008 6.773 1.00 0.00 H new ATOM 0 HA ARG A 6 2.095 -9.572 8.448 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.665 -8.415 8.350 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.936 -7.706 9.777 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.436 -10.583 9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.150 -10.258 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.267 -10.037 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.328 -8.564 11.639 1.00 0.00 H new ATOM 0 HE ARG A 6 2.556 -10.822 11.604 1.00 0.00 H new ATOM 0 HH11 ARG A 6 4.475 -8.888 13.868 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.507 -9.406 15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.434 -11.500 13.419 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.841 -10.837 15.005 1.00 0.00 H new ATOM 156 N THR A 7 1.543 -6.349 8.860 1.00 0.00 N ATOM 157 CA THR A 7 0.585 -5.351 9.353 1.00 0.00 C ATOM 158 C THR A 7 -0.760 -5.457 8.634 1.00 0.00 C ATOM 159 O THR A 7 -1.803 -5.358 9.273 1.00 0.00 O ATOM 160 CB THR A 7 1.120 -3.920 9.156 1.00 0.00 C ATOM 161 OG1 THR A 7 2.434 -3.803 9.655 1.00 0.00 O ATOM 162 CG2 THR A 7 0.279 -2.872 9.889 1.00 0.00 C ATOM 0 H THR A 7 2.283 -5.936 8.292 1.00 0.00 H new ATOM 0 HA THR A 7 0.449 -5.556 10.415 1.00 0.00 H new ATOM 0 HB THR A 7 1.081 -3.740 8.082 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.457 -3.123 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.700 -1.882 9.716 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.745 -2.901 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.282 -3.086 10.958 1.00 0.00 H new ATOM 170 N ILE A 8 -0.749 -5.646 7.309 1.00 0.00 N ATOM 171 CA ILE A 8 -1.974 -5.765 6.503 1.00 0.00 C ATOM 172 C ILE A 8 -2.770 -7.019 6.908 1.00 0.00 C ATOM 173 O ILE A 8 -3.987 -6.965 7.081 1.00 0.00 O ATOM 174 CB ILE A 8 -1.648 -5.751 4.992 1.00 0.00 C ATOM 175 CG1 ILE A 8 -0.705 -4.575 4.638 1.00 0.00 C ATOM 176 CG2 ILE A 8 -2.962 -5.670 4.202 1.00 0.00 C ATOM 177 CD1 ILE A 8 -0.547 -4.255 3.147 1.00 0.00 C ATOM 0 H ILE A 8 0.109 -5.721 6.763 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.604 -4.898 6.702 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.125 -6.669 4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.070 -3.680 5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.281 -4.793 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.744 -5.659 3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.582 -6.535 4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.494 -4.758 4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.136 -3.414 3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.146 -5.126 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.518 -3.997 2.725 1.00 0.00 H new ATOM 189 N ALA A 9 -2.070 -8.139 7.110 1.00 0.00 N ATOM 190 CA ALA A 9 -2.605 -9.392 7.620 1.00 0.00 C ATOM 191 C ALA A 9 -3.162 -9.246 9.041 1.00 0.00 C ATOM 192 O ALA A 9 -4.256 -9.755 9.298 1.00 0.00 O ATOM 193 CB ALA A 9 -1.499 -10.447 7.574 1.00 0.00 C ATOM 0 H ALA A 9 -1.071 -8.193 6.912 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.442 -9.699 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.883 -11.394 7.953 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.163 -10.578 6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.661 -10.123 8.191 1.00 0.00 H new ATOM 199 N ARG A 10 -2.461 -8.517 9.936 1.00 0.00 N ATOM 200 CA ARG A 10 -2.815 -8.314 11.360 1.00 0.00 C ATOM 201 C ARG A 10 -4.283 -7.943 11.591 1.00 0.00 C ATOM 202 O ARG A 10 -4.818 -8.244 12.650 1.00 0.00 O ATOM 203 CB ARG A 10 -1.867 -7.289 12.037 1.00 0.00 C ATOM 204 CG ARG A 10 -2.507 -5.909 12.300 1.00 0.00 C ATOM 205 CD ARG A 10 -1.522 -4.819 12.722 1.00 0.00 C ATOM 206 NE ARG A 10 -2.070 -3.498 12.365 1.00 0.00 N ATOM 207 CZ ARG A 10 -1.802 -2.318 12.904 1.00 0.00 C ATOM 208 NH1 ARG A 10 -0.949 -2.181 13.892 1.00 0.00 N ATOM 209 NH2 ARG A 10 -2.395 -1.241 12.444 1.00 0.00 N ATOM 0 H ARG A 10 -1.600 -8.035 9.678 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.677 -9.285 11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.521 -7.702 12.984 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.987 -7.154 11.408 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.022 -5.584 11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.264 -6.017 13.077 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.342 -4.872 13.796 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.561 -4.971 12.230 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.746 -3.492 11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.469 -2.998 14.268 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.766 -1.257 14.284 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.060 -1.314 11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.191 -0.331 12.857 1.00 0.00 H new ATOM 223 N MET A 11 -4.910 -7.296 10.599 1.00 0.00 N ATOM 224 CA MET A 11 -6.317 -6.899 10.573 1.00 0.00 C ATOM 225 C MET A 11 -7.249 -8.028 11.034 1.00 0.00 C ATOM 226 O MET A 11 -8.186 -7.765 11.780 1.00 0.00 O ATOM 227 CB MET A 11 -6.685 -6.479 9.144 1.00 0.00 C ATOM 228 CG MET A 11 -5.986 -5.197 8.678 1.00 0.00 C ATOM 229 SD MET A 11 -6.817 -3.670 9.182 1.00 0.00 S ATOM 230 CE MET A 11 -5.382 -2.581 9.363 1.00 0.00 C ATOM 0 H MET A 11 -4.418 -7.022 9.748 1.00 0.00 H new ATOM 0 HA MET A 11 -6.447 -6.069 11.267 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.432 -7.289 8.460 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.764 -6.336 9.083 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.969 -5.189 9.069 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.910 -5.213 7.591 1.00 0.00 H new ATOM 0 HE1 MET A 11 -5.714 -1.590 9.672 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.708 -2.989 10.116 1.00 0.00 H new ATOM 0 HE3 MET A 11 -4.858 -2.507 8.410 1.00 0.00 H new ATOM 240 N THR A 12 -6.991 -9.265 10.586 1.00 0.00 N ATOM 241 CA THR A 12 -7.754 -10.470 10.976 1.00 0.00 C ATOM 242 C THR A 12 -6.951 -11.780 10.936 1.00 0.00 C ATOM 243 O THR A 12 -7.492 -12.829 11.270 1.00 0.00 O ATOM 244 CB THR A 12 -8.995 -10.661 10.077 1.00 0.00 C ATOM 245 OG1 THR A 12 -8.602 -10.617 8.728 1.00 0.00 O ATOM 246 CG2 THR A 12 -10.099 -9.621 10.240 1.00 0.00 C ATOM 0 H THR A 12 -6.235 -9.465 9.931 1.00 0.00 H new ATOM 0 HA THR A 12 -8.033 -10.279 12.012 1.00 0.00 H new ATOM 0 HB THR A 12 -9.407 -11.621 10.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.056 -11.404 8.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.920 -9.853 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.463 -9.634 11.267 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.704 -8.632 10.008 1.00 0.00 H new ATOM 254 N GLY A 13 -5.707 -11.786 10.447 1.00 0.00 N ATOM 255 CA GLY A 13 -4.906 -12.990 10.208 1.00 0.00 C ATOM 256 C GLY A 13 -5.338 -13.785 8.981 1.00 0.00 C ATOM 257 O GLY A 13 -4.495 -14.041 8.126 1.00 0.00 O ATOM 0 H GLY A 13 -5.215 -10.927 10.199 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.861 -12.702 10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.965 -13.634 11.085 1.00 0.00 H new ATOM 261 N ILE A 14 -6.628 -14.142 8.861 1.00 0.00 N ATOM 262 CA ILE A 14 -7.178 -15.037 7.814 1.00 0.00 C ATOM 263 C ILE A 14 -6.841 -14.569 6.385 1.00 0.00 C ATOM 264 O ILE A 14 -6.729 -15.375 5.464 1.00 0.00 O ATOM 265 CB ILE A 14 -8.695 -15.368 8.017 1.00 0.00 C ATOM 266 CG1 ILE A 14 -9.708 -14.727 7.033 1.00 0.00 C ATOM 267 CG2 ILE A 14 -9.185 -15.171 9.467 1.00 0.00 C ATOM 268 CD1 ILE A 14 -9.943 -13.223 7.204 1.00 0.00 C ATOM 0 H ILE A 14 -7.343 -13.808 9.507 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.660 -15.988 7.939 1.00 0.00 H new ATOM 0 HB ILE A 14 -8.692 -16.429 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -9.362 -14.908 6.015 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.664 -15.239 7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -10.244 -15.419 9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -8.619 -15.822 10.134 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.038 -14.132 9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.668 -12.882 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.325 -13.026 8.206 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.003 -12.690 7.063 1.00 0.00 H new ATOM 280 N ARG A 15 -6.619 -13.258 6.225 1.00 0.00 N ATOM 281 CA ARG A 15 -6.211 -12.585 4.994 1.00 0.00 C ATOM 282 C ARG A 15 -4.850 -13.047 4.500 1.00 0.00 C ATOM 283 O ARG A 15 -4.632 -12.993 3.299 1.00 0.00 O ATOM 284 CB ARG A 15 -6.146 -11.065 5.215 1.00 0.00 C ATOM 285 CG ARG A 15 -7.505 -10.476 5.578 1.00 0.00 C ATOM 286 CD ARG A 15 -7.376 -9.032 6.075 1.00 0.00 C ATOM 287 NE ARG A 15 -8.599 -8.637 6.793 1.00 0.00 N ATOM 288 CZ ARG A 15 -9.149 -7.441 6.882 1.00 0.00 C ATOM 289 NH1 ARG A 15 -8.534 -6.380 6.425 1.00 0.00 N ATOM 290 NH2 ARG A 15 -10.318 -7.289 7.457 1.00 0.00 N ATOM 0 H ARG A 15 -6.727 -12.604 7.000 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.959 -12.840 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.433 -10.845 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.773 -10.584 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.160 -10.505 4.707 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.973 -11.087 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.512 -8.941 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.207 -8.362 5.232 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.085 -9.386 7.286 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.615 -6.470 5.992 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.974 -5.463 6.502 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.808 -8.098 7.839 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.737 -6.362 7.522 1.00 0.00 H new ATOM 304 N GLU A 16 -3.928 -13.470 5.372 1.00 0.00 N ATOM 305 CA GLU A 16 -2.537 -13.735 4.987 1.00 0.00 C ATOM 306 C GLU A 16 -2.429 -14.824 3.908 1.00 0.00 C ATOM 307 O GLU A 16 -1.656 -14.671 2.962 1.00 0.00 O ATOM 308 CB GLU A 16 -1.664 -14.034 6.221 1.00 0.00 C ATOM 309 CG GLU A 16 -0.217 -13.607 5.937 1.00 0.00 C ATOM 310 CD GLU A 16 0.710 -13.590 7.164 1.00 0.00 C ATOM 311 OE1 GLU A 16 0.224 -13.326 8.289 1.00 0.00 O ATOM 312 OE2 GLU A 16 1.932 -13.767 6.936 1.00 0.00 O ATOM 0 H GLU A 16 -4.123 -13.638 6.359 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.145 -12.825 4.532 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.048 -13.500 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.701 -15.097 6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.205 -14.281 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.228 -12.610 5.496 1.00 0.00 H new ATOM 319 N ALA A 17 -3.296 -15.844 3.984 1.00 0.00 N ATOM 320 CA ALA A 17 -3.484 -16.885 2.973 1.00 0.00 C ATOM 321 C ALA A 17 -3.885 -16.319 1.597 1.00 0.00 C ATOM 322 O ALA A 17 -3.465 -16.831 0.562 1.00 0.00 O ATOM 323 CB ALA A 17 -4.563 -17.845 3.497 1.00 0.00 C ATOM 0 H ALA A 17 -3.910 -15.968 4.789 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.537 -17.401 2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.731 -18.637 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -4.234 -18.283 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.491 -17.297 3.657 1.00 0.00 H new ATOM 329 N THR A 18 -4.670 -15.239 1.594 1.00 0.00 N ATOM 330 CA THR A 18 -5.148 -14.498 0.425 1.00 0.00 C ATOM 331 C THR A 18 -4.098 -13.488 -0.068 1.00 0.00 C ATOM 332 O THR A 18 -3.838 -13.428 -1.264 1.00 0.00 O ATOM 333 CB THR A 18 -6.497 -13.847 0.789 1.00 0.00 C ATOM 334 OG1 THR A 18 -7.517 -14.809 0.670 1.00 0.00 O ATOM 335 CG2 THR A 18 -6.902 -12.677 -0.087 1.00 0.00 C ATOM 0 H THR A 18 -5.011 -14.833 2.465 1.00 0.00 H new ATOM 0 HA THR A 18 -5.306 -15.173 -0.416 1.00 0.00 H new ATOM 0 HB THR A 18 -6.365 -13.469 1.803 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.378 -14.403 0.902 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.863 -12.288 0.248 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.149 -11.892 -0.017 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.985 -13.009 -1.122 1.00 0.00 H new ATOM 343 N LEU A 19 -3.449 -12.741 0.832 1.00 0.00 N ATOM 344 CA LEU A 19 -2.363 -11.797 0.543 1.00 0.00 C ATOM 345 C LEU A 19 -1.163 -12.505 -0.114 1.00 0.00 C ATOM 346 O LEU A 19 -0.678 -12.068 -1.158 1.00 0.00 O ATOM 347 CB LEU A 19 -1.932 -11.096 1.851 1.00 0.00 C ATOM 348 CG LEU A 19 -3.016 -10.240 2.546 1.00 0.00 C ATOM 349 CD1 LEU A 19 -2.673 -10.015 4.030 1.00 0.00 C ATOM 350 CD2 LEU A 19 -3.268 -8.907 1.840 1.00 0.00 C ATOM 0 H LEU A 19 -3.676 -12.779 1.826 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.728 -11.052 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.592 -11.857 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.076 -10.457 1.633 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.944 -10.808 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.451 -9.410 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.608 -10.977 4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.716 -9.498 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.039 -8.352 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.347 -8.324 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.598 -9.093 0.818 1.00 0.00 H new ATOM 362 N ARG A 20 -0.692 -13.613 0.484 1.00 0.00 N ATOM 363 CA ARG A 20 0.376 -14.462 -0.075 1.00 0.00 C ATOM 364 C ARG A 20 -0.049 -15.135 -1.380 1.00 0.00 C ATOM 365 O ARG A 20 0.775 -15.249 -2.282 1.00 0.00 O ATOM 366 CB ARG A 20 0.785 -15.545 0.932 1.00 0.00 C ATOM 367 CG ARG A 20 1.533 -15.024 2.165 1.00 0.00 C ATOM 368 CD ARG A 20 2.995 -14.603 1.875 1.00 0.00 C ATOM 369 NE ARG A 20 3.854 -14.759 3.072 1.00 0.00 N ATOM 370 CZ ARG A 20 3.568 -14.286 4.281 1.00 0.00 C ATOM 371 NH1 ARG A 20 2.698 -13.329 4.467 1.00 0.00 N ATOM 372 NH2 ARG A 20 4.125 -14.769 5.364 1.00 0.00 N ATOM 0 H ARG A 20 -1.046 -13.949 1.380 1.00 0.00 H new ATOM 0 HA ARG A 20 1.222 -13.807 -0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.110 -16.071 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.415 -16.275 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.992 -14.170 2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.533 -15.798 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.393 -15.206 1.059 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.017 -13.565 1.543 1.00 0.00 H new ATOM 0 HE ARG A 20 4.731 -15.268 2.960 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.212 -12.919 3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.505 -12.992 5.410 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.800 -15.530 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.884 -14.384 6.277 1.00 0.00 H new ATOM 386 N ALA A 21 -1.318 -15.541 -1.503 1.00 0.00 N ATOM 387 CA ALA A 21 -1.870 -15.987 -2.778 1.00 0.00 C ATOM 388 C ALA A 21 -1.736 -14.886 -3.832 1.00 0.00 C ATOM 389 O ALA A 21 -1.090 -15.113 -4.853 1.00 0.00 O ATOM 390 CB ALA A 21 -3.324 -16.440 -2.610 1.00 0.00 C ATOM 0 H ALA A 21 -1.981 -15.568 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.300 -16.848 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.716 -16.768 -3.572 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.368 -17.265 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.923 -15.609 -2.238 1.00 0.00 H new ATOM 396 N TRP A 22 -2.312 -13.701 -3.592 1.00 0.00 N ATOM 397 CA TRP A 22 -2.309 -12.600 -4.550 1.00 0.00 C ATOM 398 C TRP A 22 -0.930 -12.224 -5.062 1.00 0.00 C ATOM 399 O TRP A 22 -0.825 -11.918 -6.245 1.00 0.00 O ATOM 400 CB TRP A 22 -2.936 -11.347 -3.977 1.00 0.00 C ATOM 401 CG TRP A 22 -4.362 -11.373 -3.570 1.00 0.00 C ATOM 402 CD1 TRP A 22 -5.336 -12.156 -4.081 1.00 0.00 C ATOM 403 CD2 TRP A 22 -4.999 -10.498 -2.603 1.00 0.00 C ATOM 404 NE1 TRP A 22 -6.541 -11.790 -3.522 1.00 0.00 N ATOM 405 CE2 TRP A 22 -6.394 -10.758 -2.624 1.00 0.00 C ATOM 406 CE3 TRP A 22 -4.544 -9.491 -1.730 1.00 0.00 C ATOM 407 CZ2 TRP A 22 -7.295 -10.048 -1.828 1.00 0.00 C ATOM 408 CZ3 TRP A 22 -5.442 -8.776 -0.920 1.00 0.00 C ATOM 409 CH2 TRP A 22 -6.819 -9.054 -0.958 1.00 0.00 C ATOM 0 H TRP A 22 -2.795 -13.483 -2.720 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.897 -12.984 -5.384 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.351 -11.057 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.820 -10.554 -4.716 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -5.194 -12.941 -4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.433 -12.230 -3.747 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.489 -9.265 -1.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.352 -10.262 -1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.070 -8.005 -0.261 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.504 -8.509 -0.325 1.00 0.00 H new ATOM 420 N GLU A 23 0.105 -12.302 -4.223 1.00 0.00 N ATOM 421 CA GLU A 23 1.503 -12.100 -4.610 1.00 0.00 C ATOM 422 C GLU A 23 1.870 -12.880 -5.890 1.00 0.00 C ATOM 423 O GLU A 23 2.446 -12.291 -6.806 1.00 0.00 O ATOM 424 CB GLU A 23 2.383 -12.455 -3.400 1.00 0.00 C ATOM 425 CG GLU A 23 3.784 -11.828 -3.442 1.00 0.00 C ATOM 426 CD GLU A 23 4.876 -12.869 -3.704 1.00 0.00 C ATOM 427 OE1 GLU A 23 4.799 -13.541 -4.757 1.00 0.00 O ATOM 428 OE2 GLU A 23 5.760 -12.986 -2.827 1.00 0.00 O ATOM 0 H GLU A 23 -0.008 -12.513 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 23 1.675 -11.057 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.879 -12.132 -2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.483 -13.539 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.816 -11.066 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.984 -11.325 -2.496 1.00 0.00 H new ATOM 435 N ARG A 24 1.415 -14.141 -6.012 1.00 0.00 N ATOM 436 CA ARG A 24 1.561 -14.971 -7.220 1.00 0.00 C ATOM 437 C ARG A 24 0.300 -15.023 -8.109 1.00 0.00 C ATOM 438 O ARG A 24 0.397 -15.415 -9.269 1.00 0.00 O ATOM 439 CB ARG A 24 2.017 -16.385 -6.805 1.00 0.00 C ATOM 440 CG ARG A 24 2.686 -17.151 -7.967 1.00 0.00 C ATOM 441 CD ARG A 24 2.053 -18.519 -8.272 1.00 0.00 C ATOM 442 NE ARG A 24 2.797 -19.630 -7.647 1.00 0.00 N ATOM 443 CZ ARG A 24 2.672 -20.922 -7.931 1.00 0.00 C ATOM 444 NH1 ARG A 24 1.737 -21.363 -8.742 1.00 0.00 N ATOM 445 NH2 ARG A 24 3.492 -21.803 -7.408 1.00 0.00 N ATOM 0 H ARG A 24 0.925 -14.620 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 24 2.318 -14.499 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.717 -16.309 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.157 -16.951 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.642 -16.535 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.740 -17.296 -7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.023 -18.528 -7.916 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.018 -18.669 -9.351 1.00 0.00 H new ATOM 0 HE ARG A 24 3.474 -19.381 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.084 -20.708 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.664 -22.361 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.233 -21.498 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.388 -22.793 -7.632 1.00 0.00 H new ATOM 459 N ARG A 25 -0.879 -14.651 -7.591 1.00 0.00 N ATOM 460 CA ARG A 25 -2.183 -14.744 -8.280 1.00 0.00 C ATOM 461 C ARG A 25 -2.531 -13.496 -9.117 1.00 0.00 C ATOM 462 O ARG A 25 -3.193 -13.655 -10.135 1.00 0.00 O ATOM 463 CB ARG A 25 -3.272 -15.088 -7.238 1.00 0.00 C ATOM 464 CG ARG A 25 -4.517 -15.812 -7.769 1.00 0.00 C ATOM 465 CD ARG A 25 -5.536 -16.055 -6.635 1.00 0.00 C ATOM 466 NE ARG A 25 -5.211 -17.236 -5.809 1.00 0.00 N ATOM 467 CZ ARG A 25 -5.897 -17.695 -4.764 1.00 0.00 C ATOM 468 NH1 ARG A 25 -6.959 -17.077 -4.302 1.00 0.00 N ATOM 469 NH2 ARG A 25 -5.521 -18.793 -4.150 1.00 0.00 N ATOM 0 H ARG A 25 -0.959 -14.264 -6.651 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.124 -15.545 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.820 -15.707 -6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.592 -14.162 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.979 -15.219 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.227 -16.764 -8.214 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.578 -15.173 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.528 -16.183 -7.067 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.372 -17.755 -6.067 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.282 -16.217 -4.746 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.461 -17.457 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.698 -19.301 -4.473 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.052 -19.138 -3.350 1.00 0.00 H new ATOM 483 N TYR A 26 -2.077 -12.291 -8.726 1.00 0.00 N ATOM 484 CA TYR A 26 -2.307 -11.010 -9.442 1.00 0.00 C ATOM 485 C TYR A 26 -1.194 -9.962 -9.260 1.00 0.00 C ATOM 486 O TYR A 26 -0.940 -9.172 -10.166 1.00 0.00 O ATOM 487 CB TYR A 26 -3.604 -10.326 -8.965 1.00 0.00 C ATOM 488 CG TYR A 26 -4.818 -11.220 -8.927 1.00 0.00 C ATOM 489 CD1 TYR A 26 -5.540 -11.496 -10.104 1.00 0.00 C ATOM 490 CD2 TYR A 26 -5.160 -11.848 -7.718 1.00 0.00 C ATOM 491 CE1 TYR A 26 -6.574 -12.449 -10.086 1.00 0.00 C ATOM 492 CE2 TYR A 26 -6.187 -12.801 -7.701 1.00 0.00 C ATOM 493 CZ TYR A 26 -6.879 -13.125 -8.884 1.00 0.00 C ATOM 494 OH TYR A 26 -7.793 -14.131 -8.868 1.00 0.00 O ATOM 0 H TYR A 26 -1.523 -12.172 -7.878 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.349 -11.311 -10.489 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -3.438 -9.921 -7.967 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.814 -9.481 -9.621 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.300 -10.976 -11.020 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.635 -11.598 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.132 -12.663 -10.986 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.450 -13.290 -6.775 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.781 -14.570 -7.992 1.00 0.00 H new ATOM 504 N GLY A 27 -0.592 -9.898 -8.068 1.00 0.00 N ATOM 505 CA GLY A 27 0.402 -8.912 -7.647 1.00 0.00 C ATOM 506 C GLY A 27 -0.132 -7.819 -6.711 1.00 0.00 C ATOM 507 O GLY A 27 0.659 -6.991 -6.280 1.00 0.00 O ATOM 0 H GLY A 27 -0.799 -10.572 -7.331 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.219 -9.432 -7.147 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.821 -8.438 -8.534 1.00 0.00 H new ATOM 511 N PHE A 28 -1.435 -7.776 -6.399 1.00 0.00 N ATOM 512 CA PHE A 28 -2.035 -6.823 -5.450 1.00 0.00 C ATOM 513 C PHE A 28 -1.987 -7.359 -3.999 1.00 0.00 C ATOM 514 O PHE A 28 -2.285 -8.526 -3.796 1.00 0.00 O ATOM 515 CB PHE A 28 -3.487 -6.559 -5.879 1.00 0.00 C ATOM 516 CG PHE A 28 -4.381 -5.860 -4.865 1.00 0.00 C ATOM 517 CD1 PHE A 28 -5.087 -6.620 -3.910 1.00 0.00 C ATOM 518 CD2 PHE A 28 -4.572 -4.465 -4.918 1.00 0.00 C ATOM 519 CE1 PHE A 28 -6.028 -6.006 -3.068 1.00 0.00 C ATOM 520 CE2 PHE A 28 -5.486 -3.845 -4.047 1.00 0.00 C ATOM 521 CZ PHE A 28 -6.231 -4.619 -3.142 1.00 0.00 C ATOM 0 H PHE A 28 -2.117 -8.416 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 28 -1.463 -5.895 -5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.470 -5.959 -6.789 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.945 -7.514 -6.136 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.903 -7.681 -3.826 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.016 -3.871 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.594 -6.599 -2.365 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.615 -2.773 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.961 -4.146 -2.502 1.00 0.00 H new ATOM 531 N PRO A 29 -1.693 -6.543 -2.971 1.00 0.00 N ATOM 532 CA PRO A 29 -1.110 -5.218 -3.087 1.00 0.00 C ATOM 533 C PRO A 29 0.310 -5.315 -3.659 1.00 0.00 C ATOM 534 O PRO A 29 1.073 -6.235 -3.335 1.00 0.00 O ATOM 535 CB PRO A 29 -1.143 -4.648 -1.672 1.00 0.00 C ATOM 536 CG PRO A 29 -1.064 -5.874 -0.765 1.00 0.00 C ATOM 537 CD PRO A 29 -1.794 -6.944 -1.571 1.00 0.00 C ATOM 0 HA PRO A 29 -1.653 -4.567 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.307 -3.970 -1.497 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.056 -4.080 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.032 -6.158 -0.559 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.544 -5.696 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.343 -7.924 -1.414 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.837 -7.019 -1.262 1.00 0.00 H new ATOM 545 N ARG A 30 0.644 -4.338 -4.512 1.00 0.00 N ATOM 546 CA ARG A 30 1.901 -4.247 -5.262 1.00 0.00 C ATOM 547 C ARG A 30 3.040 -3.815 -4.329 1.00 0.00 C ATOM 548 O ARG A 30 2.933 -2.748 -3.728 1.00 0.00 O ATOM 549 CB ARG A 30 1.726 -3.268 -6.439 1.00 0.00 C ATOM 550 CG ARG A 30 1.743 -3.948 -7.821 1.00 0.00 C ATOM 551 CD ARG A 30 3.137 -3.950 -8.472 1.00 0.00 C ATOM 552 NE ARG A 30 3.023 -4.019 -9.942 1.00 0.00 N ATOM 553 CZ ARG A 30 3.870 -3.523 -10.838 1.00 0.00 C ATOM 554 NH1 ARG A 30 5.057 -3.075 -10.500 1.00 0.00 N ATOM 555 NH2 ARG A 30 3.526 -3.457 -12.103 1.00 0.00 N ATOM 0 H ARG A 30 0.018 -3.556 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 30 2.162 -5.224 -5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.783 -2.734 -6.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.521 -2.523 -6.401 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.394 -4.976 -7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.041 -3.437 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.679 -3.049 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.714 -4.799 -8.106 1.00 0.00 H new ATOM 0 HE ARG A 30 2.203 -4.501 -10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.353 -3.101 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.683 -2.701 -11.213 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.607 -3.787 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.177 -3.076 -12.789 1.00 0.00 H new ATOM 569 N PRO A 31 4.095 -4.631 -4.147 1.00 0.00 N ATOM 570 CA PRO A 31 5.166 -4.334 -3.201 1.00 0.00 C ATOM 571 C PRO A 31 5.955 -3.101 -3.656 1.00 0.00 C ATOM 572 O PRO A 31 6.453 -3.062 -4.783 1.00 0.00 O ATOM 573 CB PRO A 31 6.004 -5.612 -3.148 1.00 0.00 C ATOM 574 CG PRO A 31 5.806 -6.244 -4.522 1.00 0.00 C ATOM 575 CD PRO A 31 4.355 -5.890 -4.835 1.00 0.00 C ATOM 0 HA PRO A 31 4.806 -4.077 -2.205 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.055 -5.392 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.668 -6.276 -2.352 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.494 -5.834 -5.262 1.00 0.00 H new ATOM 0 HG3 PRO A 31 5.966 -7.322 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.201 -5.788 -5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.679 -6.672 -4.489 1.00 0.00 H new ATOM 583 N LEU A 32 6.029 -2.076 -2.799 1.00 0.00 N ATOM 584 CA LEU A 32 6.711 -0.824 -3.128 1.00 0.00 C ATOM 585 C LEU A 32 8.229 -1.063 -3.269 1.00 0.00 C ATOM 586 O LEU A 32 8.827 -1.893 -2.582 1.00 0.00 O ATOM 587 CB LEU A 32 6.361 0.285 -2.108 1.00 0.00 C ATOM 588 CG LEU A 32 5.072 1.064 -2.446 1.00 0.00 C ATOM 589 CD1 LEU A 32 3.770 0.302 -2.169 1.00 0.00 C ATOM 590 CD2 LEU A 32 5.036 2.363 -1.634 1.00 0.00 C ATOM 0 H LEU A 32 5.620 -2.093 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 32 6.356 -0.466 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.254 -0.164 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.193 0.987 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 32 5.115 1.242 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.918 0.928 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.750 -0.612 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.715 0.048 -1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.127 2.915 -1.871 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.051 2.127 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.905 2.972 -1.883 1.00 0.00 H new ATOM 732 N VAL A 41 7.184 -3.772 1.464 1.00 0.00 N ATOM 733 CA VAL A 41 6.629 -2.501 1.951 1.00 0.00 C ATOM 734 C VAL A 41 5.389 -2.081 1.153 1.00 0.00 C ATOM 735 O VAL A 41 5.284 -2.339 -0.048 1.00 0.00 O ATOM 736 CB VAL A 41 7.687 -1.380 1.941 1.00 0.00 C ATOM 737 CG1 VAL A 41 8.729 -1.582 3.048 1.00 0.00 C ATOM 738 CG2 VAL A 41 8.421 -1.251 0.603 1.00 0.00 C ATOM 0 HA VAL A 41 6.322 -2.665 2.984 1.00 0.00 H new ATOM 0 HB VAL A 41 7.127 -0.461 2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.460 -0.774 3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.233 -1.580 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.236 -2.536 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.151 -0.444 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.933 -2.187 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.702 -1.031 -0.186 1.00 0.00 H new ATOM 748 N TYR A 42 4.461 -1.419 1.849 1.00 0.00 N ATOM 749 CA TYR A 42 3.125 -1.048 1.392 1.00 0.00 C ATOM 750 C TYR A 42 2.642 0.245 2.049 1.00 0.00 C ATOM 751 O TYR A 42 2.977 0.515 3.202 1.00 0.00 O ATOM 752 CB TYR A 42 2.163 -2.167 1.791 1.00 0.00 C ATOM 753 CG TYR A 42 2.411 -3.460 1.054 1.00 0.00 C ATOM 754 CD1 TYR A 42 2.167 -3.482 -0.323 1.00 0.00 C ATOM 755 CD2 TYR A 42 2.916 -4.605 1.704 1.00 0.00 C ATOM 756 CE1 TYR A 42 2.377 -4.662 -1.037 1.00 0.00 C ATOM 757 CE2 TYR A 42 3.121 -5.796 0.974 1.00 0.00 C ATOM 758 CZ TYR A 42 2.814 -5.838 -0.403 1.00 0.00 C ATOM 759 OH TYR A 42 2.894 -6.993 -1.126 1.00 0.00 O ATOM 0 H TYR A 42 4.636 -1.110 2.805 1.00 0.00 H new ATOM 0 HA TYR A 42 3.157 -0.897 0.313 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.249 -2.346 2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.140 -1.841 1.604 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.819 -2.594 -0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 42 3.146 -4.571 2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.200 -4.672 -2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.512 -6.673 1.468 1.00 0.00 H new ATOM 0 HH TYR A 42 2.331 -6.919 -1.924 1.00 0.00 H new ATOM 769 N SER A 43 1.787 0.998 1.358 1.00 0.00 N ATOM 770 CA SER A 43 1.185 2.241 1.833 1.00 0.00 C ATOM 771 C SER A 43 -0.264 2.040 2.300 1.00 0.00 C ATOM 772 O SER A 43 -0.913 1.022 2.042 1.00 0.00 O ATOM 773 CB SER A 43 1.233 3.279 0.704 1.00 0.00 C ATOM 774 OG SER A 43 2.554 3.721 0.490 1.00 0.00 O ATOM 0 H SER A 43 1.484 0.749 0.417 1.00 0.00 H new ATOM 0 HA SER A 43 1.754 2.589 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.836 2.844 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.597 4.127 0.956 1.00 0.00 H new ATOM 0 HG SER A 43 2.565 4.381 -0.234 1.00 0.00 H new ATOM 780 N ARG A 44 -0.803 3.067 2.972 1.00 0.00 N ATOM 781 CA ARG A 44 -2.205 3.118 3.407 1.00 0.00 C ATOM 782 C ARG A 44 -3.185 3.039 2.227 1.00 0.00 C ATOM 783 O ARG A 44 -4.251 2.458 2.384 1.00 0.00 O ATOM 784 CB ARG A 44 -2.430 4.372 4.266 1.00 0.00 C ATOM 785 CG ARG A 44 -3.813 4.455 4.945 1.00 0.00 C ATOM 786 CD ARG A 44 -3.763 4.108 6.440 1.00 0.00 C ATOM 787 NE ARG A 44 -5.095 4.207 7.070 1.00 0.00 N ATOM 788 CZ ARG A 44 -5.772 5.312 7.371 1.00 0.00 C ATOM 789 NH1 ARG A 44 -5.291 6.511 7.138 1.00 0.00 N ATOM 790 NH2 ARG A 44 -6.960 5.232 7.919 1.00 0.00 N ATOM 0 H ARG A 44 -0.270 3.897 3.232 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.410 2.238 4.016 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.660 4.409 5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.296 5.253 3.639 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.213 5.462 4.823 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.501 3.776 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.375 3.097 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.070 4.780 6.946 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.550 3.324 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.370 6.617 6.713 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.838 7.336 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.370 4.319 8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.474 6.083 8.148 1.00 0.00 H new ATOM 804 N GLU A 45 -2.827 3.565 1.051 1.00 0.00 N ATOM 805 CA GLU A 45 -3.637 3.464 -0.172 1.00 0.00 C ATOM 806 C GLU A 45 -3.837 2.015 -0.648 1.00 0.00 C ATOM 807 O GLU A 45 -4.956 1.655 -1.013 1.00 0.00 O ATOM 808 CB GLU A 45 -3.056 4.350 -1.287 1.00 0.00 C ATOM 809 CG GLU A 45 -1.564 4.107 -1.574 1.00 0.00 C ATOM 810 CD GLU A 45 -1.041 4.963 -2.733 1.00 0.00 C ATOM 811 OE1 GLU A 45 -1.692 4.968 -3.802 1.00 0.00 O ATOM 812 OE2 GLU A 45 0.003 5.623 -2.514 1.00 0.00 O ATOM 0 H GLU A 45 -1.956 4.080 0.918 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.631 3.834 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.623 4.180 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.196 5.396 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.985 4.324 -0.676 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.409 3.053 -1.806 1.00 0.00 H new ATOM 819 N GLU A 46 -2.805 1.158 -0.573 1.00 0.00 N ATOM 820 CA GLU A 46 -3.004 -0.279 -0.770 1.00 0.00 C ATOM 821 C GLU A 46 -3.885 -0.838 0.343 1.00 0.00 C ATOM 822 O GLU A 46 -4.869 -1.512 0.045 1.00 0.00 O ATOM 823 CB GLU A 46 -1.687 -1.068 -0.813 1.00 0.00 C ATOM 824 CG GLU A 46 -0.895 -0.917 -2.122 1.00 0.00 C ATOM 825 CD GLU A 46 0.055 0.281 -2.123 1.00 0.00 C ATOM 826 OE1 GLU A 46 0.686 0.510 -1.066 1.00 0.00 O ATOM 827 OE2 GLU A 46 0.168 0.926 -3.184 1.00 0.00 O ATOM 0 H GLU A 46 -1.842 1.433 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.487 -0.397 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.058 -0.745 0.017 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.906 -2.124 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.321 -1.827 -2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.595 -0.817 -2.952 1.00 0.00 H new ATOM 834 N VAL A 47 -3.560 -0.551 1.614 1.00 0.00 N ATOM 835 CA VAL A 47 -4.334 -1.043 2.764 1.00 0.00 C ATOM 836 C VAL A 47 -5.815 -0.691 2.664 1.00 0.00 C ATOM 837 O VAL A 47 -6.624 -1.561 2.949 1.00 0.00 O ATOM 838 CB VAL A 47 -3.741 -0.589 4.111 1.00 0.00 C ATOM 839 CG1 VAL A 47 -4.668 -0.849 5.310 1.00 0.00 C ATOM 840 CG2 VAL A 47 -2.444 -1.358 4.366 1.00 0.00 C ATOM 0 H VAL A 47 -2.759 0.025 1.872 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.259 -2.130 2.730 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.585 0.487 4.031 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.185 -0.504 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.605 -0.310 5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.872 -1.917 5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.016 -1.044 5.318 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.655 -2.427 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.735 -1.152 3.564 1.00 0.00 H new ATOM 850 N GLU A 48 -6.191 0.520 2.245 1.00 0.00 N ATOM 851 CA GLU A 48 -7.579 0.937 2.033 1.00 0.00 C ATOM 852 C GLU A 48 -8.328 -0.062 1.141 1.00 0.00 C ATOM 853 O GLU A 48 -9.319 -0.665 1.569 1.00 0.00 O ATOM 854 CB GLU A 48 -7.594 2.354 1.434 1.00 0.00 C ATOM 855 CG GLU A 48 -9.017 2.879 1.178 1.00 0.00 C ATOM 856 CD GLU A 48 -9.307 4.146 1.983 1.00 0.00 C ATOM 857 OE1 GLU A 48 -9.354 4.023 3.231 1.00 0.00 O ATOM 858 OE2 GLU A 48 -9.495 5.203 1.345 1.00 0.00 O ATOM 0 H GLU A 48 -5.519 1.259 2.038 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.100 0.954 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.077 3.035 2.110 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.038 2.353 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.142 3.087 0.115 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.742 2.108 1.440 1.00 0.00 H new ATOM 865 N ALA A 49 -7.821 -0.269 -0.081 1.00 0.00 N ATOM 866 CA ALA A 49 -8.360 -1.243 -1.017 1.00 0.00 C ATOM 867 C ALA A 49 -8.309 -2.657 -0.429 1.00 0.00 C ATOM 868 O ALA A 49 -9.334 -3.325 -0.363 1.00 0.00 O ATOM 869 CB ALA A 49 -7.598 -1.140 -2.341 1.00 0.00 C ATOM 0 H ALA A 49 -7.017 0.244 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.411 -1.026 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.997 -1.868 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.713 -0.136 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.541 -1.343 -2.169 1.00 0.00 H new ATOM 875 N VAL A 50 -7.139 -3.118 0.027 1.00 0.00 N ATOM 876 CA VAL A 50 -6.913 -4.475 0.542 1.00 0.00 C ATOM 877 C VAL A 50 -7.845 -4.811 1.704 1.00 0.00 C ATOM 878 O VAL A 50 -8.469 -5.869 1.698 1.00 0.00 O ATOM 879 CB VAL A 50 -5.448 -4.647 0.970 1.00 0.00 C ATOM 880 CG1 VAL A 50 -5.233 -5.972 1.708 1.00 0.00 C ATOM 881 CG2 VAL A 50 -4.493 -4.614 -0.225 1.00 0.00 C ATOM 0 H VAL A 50 -6.298 -2.541 0.049 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.136 -5.170 -0.267 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.231 -3.809 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.186 -6.062 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.859 -5.997 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.501 -6.801 1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.468 -4.739 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.743 -5.422 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.587 -3.657 -0.739 1.00 0.00 H new ATOM 891 N ARG A 51 -7.946 -3.925 2.701 1.00 0.00 N ATOM 892 CA ARG A 51 -8.803 -4.073 3.877 1.00 0.00 C ATOM 893 C ARG A 51 -10.280 -4.145 3.495 1.00 0.00 C ATOM 894 O ARG A 51 -11.016 -4.917 4.111 1.00 0.00 O ATOM 895 CB ARG A 51 -8.491 -2.932 4.867 1.00 0.00 C ATOM 896 CG ARG A 51 -9.371 -2.917 6.124 1.00 0.00 C ATOM 897 CD ARG A 51 -10.418 -1.798 6.056 1.00 0.00 C ATOM 898 NE ARG A 51 -11.563 -2.105 6.930 1.00 0.00 N ATOM 899 CZ ARG A 51 -12.336 -1.253 7.590 1.00 0.00 C ATOM 900 NH1 ARG A 51 -12.176 0.048 7.508 1.00 0.00 N ATOM 901 NH2 ARG A 51 -13.298 -1.710 8.356 1.00 0.00 N ATOM 0 H ARG A 51 -7.413 -3.055 2.709 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.589 -5.021 4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.447 -3.008 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.603 -1.979 4.350 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.871 -3.880 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.746 -2.781 7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.967 -0.852 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.761 -1.675 5.029 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.789 -3.093 7.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.437 0.435 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.791 0.671 8.031 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.448 -2.715 8.441 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.896 -1.060 8.866 1.00 0.00 H new ATOM 915 N ARG A 52 -10.690 -3.392 2.466 1.00 0.00 N ATOM 916 CA ARG A 52 -11.980 -3.564 1.792 1.00 0.00 C ATOM 917 C ARG A 52 -12.083 -4.937 1.133 1.00 0.00 C ATOM 918 O ARG A 52 -12.926 -5.709 1.573 1.00 0.00 O ATOM 919 CB ARG A 52 -12.225 -2.423 0.794 1.00 0.00 C ATOM 920 CG ARG A 52 -13.000 -1.289 1.467 1.00 0.00 C ATOM 921 CD ARG A 52 -13.121 -0.097 0.513 1.00 0.00 C ATOM 922 NE ARG A 52 -14.306 0.721 0.826 1.00 0.00 N ATOM 923 CZ ARG A 52 -15.564 0.445 0.494 1.00 0.00 C ATOM 924 NH1 ARG A 52 -15.884 -0.620 -0.208 1.00 0.00 N ATOM 925 NH2 ARG A 52 -16.535 1.237 0.877 1.00 0.00 N ATOM 0 H ARG A 52 -10.127 -2.637 2.075 1.00 0.00 H new ATOM 0 HA ARG A 52 -12.769 -3.517 2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.273 -2.049 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.784 -2.795 -0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.992 -1.637 1.755 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.492 -0.983 2.381 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.224 0.518 0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.185 -0.456 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.146 1.583 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.157 -1.265 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.860 -0.801 -0.445 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.327 2.068 1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -17.499 1.023 0.621 1.00 0.00 H new ATOM 939 N VAL A 53 -11.234 -5.256 0.145 1.00 0.00 N ATOM 940 CA VAL A 53 -11.213 -6.528 -0.604 1.00 0.00 C ATOM 941 C VAL A 53 -11.309 -7.733 0.338 1.00 0.00 C ATOM 942 O VAL A 53 -12.146 -8.607 0.136 1.00 0.00 O ATOM 943 CB VAL A 53 -9.964 -6.641 -1.517 1.00 0.00 C ATOM 944 CG1 VAL A 53 -9.953 -8.001 -2.218 1.00 0.00 C ATOM 945 CG2 VAL A 53 -9.882 -5.534 -2.581 1.00 0.00 C ATOM 0 H VAL A 53 -10.511 -4.609 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 53 -12.092 -6.531 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.098 -6.529 -0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.073 -8.074 -2.858 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.926 -8.795 -1.472 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.852 -8.105 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.985 -5.674 -3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.761 -5.581 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.842 -4.561 -2.091 1.00 0.00 H new ATOM 955 N ALA A 54 -10.493 -7.755 1.391 1.00 0.00 N ATOM 956 CA ALA A 54 -10.482 -8.763 2.443 1.00 0.00 C ATOM 957 C ALA A 54 -11.829 -8.940 3.163 1.00 0.00 C ATOM 958 O ALA A 54 -12.253 -10.070 3.401 1.00 0.00 O ATOM 959 CB ALA A 54 -9.420 -8.345 3.451 1.00 0.00 C ATOM 0 H ALA A 54 -9.788 -7.033 1.538 1.00 0.00 H new ATOM 0 HA ALA A 54 -10.271 -9.727 1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -9.378 -9.075 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.450 -8.294 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.671 -7.366 3.859 1.00 0.00 H new ATOM 965 N ARG A 55 -12.499 -7.841 3.535 1.00 0.00 N ATOM 966 CA ARG A 55 -13.838 -7.912 4.128 1.00 0.00 C ATOM 967 C ARG A 55 -14.888 -8.294 3.080 1.00 0.00 C ATOM 968 O ARG A 55 -15.766 -9.096 3.373 1.00 0.00 O ATOM 969 CB ARG A 55 -14.188 -6.587 4.813 1.00 0.00 C ATOM 970 CG ARG A 55 -15.281 -6.815 5.869 1.00 0.00 C ATOM 971 CD ARG A 55 -15.827 -5.490 6.407 1.00 0.00 C ATOM 972 NE ARG A 55 -17.009 -5.050 5.643 1.00 0.00 N ATOM 973 CZ ARG A 55 -17.631 -3.883 5.732 1.00 0.00 C ATOM 974 NH1 ARG A 55 -17.155 -2.900 6.464 1.00 0.00 N ATOM 975 NH2 ARG A 55 -18.756 -3.692 5.087 1.00 0.00 N ATOM 0 H ARG A 55 -12.135 -6.894 3.435 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.837 -8.696 4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.299 -6.165 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.531 -5.865 4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.095 -7.395 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.876 -7.404 6.692 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -16.092 -5.603 7.458 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.051 -4.726 6.354 1.00 0.00 H new ATOM 0 HE ARG A 55 -17.390 -5.717 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -16.285 -3.025 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.655 -2.013 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -19.151 -4.441 4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -19.236 -2.795 5.154 1.00 0.00 H new ATOM 989 N LEU A 56 -14.754 -7.783 1.854 1.00 0.00 N ATOM 990 CA LEU A 56 -15.564 -8.150 0.692 1.00 0.00 C ATOM 991 C LEU A 56 -15.501 -9.674 0.425 1.00 0.00 C ATOM 992 O LEU A 56 -16.506 -10.322 0.139 1.00 0.00 O ATOM 993 CB LEU A 56 -15.105 -7.316 -0.526 1.00 0.00 C ATOM 994 CG LEU A 56 -16.153 -6.417 -1.215 1.00 0.00 C ATOM 995 CD1 LEU A 56 -17.538 -7.058 -1.355 1.00 0.00 C ATOM 996 CD2 LEU A 56 -16.283 -5.070 -0.497 1.00 0.00 C ATOM 0 H LEU A 56 -14.052 -7.076 1.636 1.00 0.00 H new ATOM 0 HA LEU A 56 -16.612 -7.922 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.278 -6.682 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -14.709 -8.004 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 56 -15.773 -6.268 -2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.214 -6.360 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -17.459 -7.969 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.928 -7.302 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -17.028 -4.458 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.592 -5.236 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.322 -4.556 -0.510 1.00 0.00 H new ATOM 1008 N ILE A 57 -14.316 -10.273 0.594 1.00 0.00 N ATOM 1009 CA ILE A 57 -14.070 -11.719 0.549 1.00 0.00 C ATOM 1010 C ILE A 57 -14.820 -12.490 1.634 1.00 0.00 C ATOM 1011 O ILE A 57 -15.303 -13.582 1.348 1.00 0.00 O ATOM 1012 CB ILE A 57 -12.551 -11.979 0.590 1.00 0.00 C ATOM 1013 CG1 ILE A 57 -12.026 -11.763 -0.836 1.00 0.00 C ATOM 1014 CG2 ILE A 57 -12.139 -13.361 1.139 1.00 0.00 C ATOM 1015 CD1 ILE A 57 -10.537 -11.454 -0.842 1.00 0.00 C ATOM 0 H ILE A 57 -13.465 -9.740 0.774 1.00 0.00 H new ATOM 0 HA ILE A 57 -14.470 -12.101 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 57 -12.105 -11.284 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.216 -12.655 -1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.570 -10.943 -1.305 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.053 -13.448 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -12.501 -13.469 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -12.572 -14.144 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.200 -11.307 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.351 -10.548 -0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.991 -12.286 -0.396 1.00 0.00 H new ATOM 1027 N GLN A 58 -14.978 -11.933 2.840 1.00 0.00 N ATOM 1028 CA GLN A 58 -15.862 -12.525 3.848 1.00 0.00 C ATOM 1029 C GLN A 58 -17.343 -12.529 3.421 1.00 0.00 C ATOM 1030 O GLN A 58 -18.119 -13.277 4.010 1.00 0.00 O ATOM 1031 CB GLN A 58 -15.683 -11.832 5.216 1.00 0.00 C ATOM 1032 CG GLN A 58 -14.855 -12.687 6.188 1.00 0.00 C ATOM 1033 CD GLN A 58 -14.824 -12.096 7.596 1.00 0.00 C ATOM 1034 OE1 GLN A 58 -15.824 -11.679 8.156 1.00 0.00 O ATOM 1035 NE2 GLN A 58 -13.677 -12.050 8.246 1.00 0.00 N ATOM 0 H GLN A 58 -14.508 -11.079 3.140 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.565 -13.569 3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -15.194 -10.868 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -16.662 -11.632 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.271 -13.694 6.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.836 -12.778 5.812 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.825 -12.392 7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.642 -11.672 9.193 1.00 0.00 H new ATOM 1044 N GLU A 59 -17.740 -11.749 2.403 1.00 0.00 N ATOM 1045 CA GLU A 59 -19.116 -11.741 1.889 1.00 0.00 C ATOM 1046 C GLU A 59 -19.323 -12.791 0.778 1.00 0.00 C ATOM 1047 O GLU A 59 -20.362 -13.447 0.767 1.00 0.00 O ATOM 1048 CB GLU A 59 -19.556 -10.324 1.448 1.00 0.00 C ATOM 1049 CG GLU A 59 -19.068 -9.195 2.396 1.00 0.00 C ATOM 1050 CD GLU A 59 -19.997 -7.971 2.536 1.00 0.00 C ATOM 1051 OE1 GLU A 59 -20.808 -7.730 1.626 1.00 0.00 O ATOM 1052 OE2 GLU A 59 -19.835 -7.238 3.556 1.00 0.00 O ATOM 0 H GLU A 59 -17.116 -11.107 1.914 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.768 -12.030 2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.178 -10.132 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.644 -10.293 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -18.914 -9.623 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -18.096 -8.849 2.044 1.00 0.00 H new ATOM 1059 N GLU A 60 -18.340 -13.000 -0.120 1.00 0.00 N ATOM 1060 CA GLU A 60 -18.431 -14.016 -1.196 1.00 0.00 C ATOM 1061 C GLU A 60 -17.124 -14.720 -1.606 1.00 0.00 C ATOM 1062 O GLU A 60 -17.168 -15.839 -2.114 1.00 0.00 O ATOM 1063 CB GLU A 60 -19.032 -13.386 -2.470 1.00 0.00 C ATOM 1064 CG GLU A 60 -20.452 -13.887 -2.749 1.00 0.00 C ATOM 1065 CD GLU A 60 -20.870 -13.518 -4.175 1.00 0.00 C ATOM 1066 OE1 GLU A 60 -20.582 -14.332 -5.083 1.00 0.00 O ATOM 1067 OE2 GLU A 60 -21.441 -12.420 -4.347 1.00 0.00 O ATOM 0 H GLU A 60 -17.465 -12.475 -0.123 1.00 0.00 H new ATOM 0 HA GLU A 60 -19.061 -14.787 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -19.045 -12.301 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.393 -13.616 -3.323 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -20.497 -14.968 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.148 -13.449 -2.033 1.00 0.00 H new ATOM 1074 N GLY A 61 -15.962 -14.077 -1.469 1.00 0.00 N ATOM 1075 CA GLY A 61 -14.661 -14.636 -1.860 1.00 0.00 C ATOM 1076 C GLY A 61 -14.248 -14.329 -3.305 1.00 0.00 C ATOM 1077 O GLY A 61 -13.079 -14.026 -3.544 1.00 0.00 O ATOM 0 H GLY A 61 -15.895 -13.138 -1.077 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.896 -14.250 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.688 -15.717 -1.725 1.00 0.00 H new ATOM 1081 N LEU A 62 -15.200 -14.305 -4.252 1.00 0.00 N ATOM 1082 CA LEU A 62 -15.018 -13.832 -5.640 1.00 0.00 C ATOM 1083 C LEU A 62 -14.328 -12.461 -5.699 1.00 0.00 C ATOM 1084 O LEU A 62 -13.485 -12.223 -6.568 1.00 0.00 O ATOM 1085 CB LEU A 62 -16.396 -13.843 -6.338 1.00 0.00 C ATOM 1086 CG LEU A 62 -16.616 -12.885 -7.533 1.00 0.00 C ATOM 1087 CD1 LEU A 62 -15.669 -13.119 -8.722 1.00 0.00 C ATOM 1088 CD2 LEU A 62 -18.054 -13.052 -8.028 1.00 0.00 C ATOM 0 H LEU A 62 -16.151 -14.625 -4.069 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.346 -14.504 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -16.585 -14.859 -6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -17.152 -13.617 -5.586 1.00 0.00 H new ATOM 0 HG LEU A 62 -16.408 -11.881 -7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -15.894 -12.404 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -14.637 -12.987 -8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.803 -14.132 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -18.228 -12.384 -8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -18.213 -14.083 -8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -18.747 -12.808 -7.223 1.00 0.00 H new ATOM 1100 N SER A 63 -14.605 -11.602 -4.712 1.00 0.00 N ATOM 1101 CA SER A 63 -13.932 -10.321 -4.509 1.00 0.00 C ATOM 1102 C SER A 63 -12.401 -10.382 -4.480 1.00 0.00 C ATOM 1103 O SER A 63 -11.799 -9.341 -4.718 1.00 0.00 O ATOM 1104 CB SER A 63 -14.450 -9.646 -3.245 1.00 0.00 C ATOM 1105 OG SER A 63 -15.560 -8.837 -3.570 1.00 0.00 O ATOM 0 H SER A 63 -15.325 -11.787 -4.014 1.00 0.00 H new ATOM 0 HA SER A 63 -14.179 -9.732 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 63 -14.736 -10.397 -2.509 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.664 -9.041 -2.794 1.00 0.00 H new ATOM 0 HG SER A 63 -15.275 -7.902 -3.638 1.00 0.00 H new ATOM 1111 N VAL A 64 -11.763 -11.554 -4.309 1.00 0.00 N ATOM 1112 CA VAL A 64 -10.359 -11.757 -4.699 1.00 0.00 C ATOM 1113 C VAL A 64 -10.109 -11.197 -6.099 1.00 0.00 C ATOM 1114 O VAL A 64 -9.351 -10.247 -6.234 1.00 0.00 O ATOM 1115 CB VAL A 64 -9.936 -13.244 -4.607 1.00 0.00 C ATOM 1116 CG1 VAL A 64 -8.688 -13.547 -5.446 1.00 0.00 C ATOM 1117 CG2 VAL A 64 -9.634 -13.656 -3.164 1.00 0.00 C ATOM 0 H VAL A 64 -12.202 -12.379 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.738 -11.210 -3.989 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.783 -13.811 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.431 -14.602 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.889 -13.317 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.856 -12.937 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.341 -14.706 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.822 -13.043 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.524 -13.513 -2.551 1.00 0.00 H new ATOM 1127 N SER A 65 -10.714 -11.778 -7.137 1.00 0.00 N ATOM 1128 CA SER A 65 -10.482 -11.317 -8.508 1.00 0.00 C ATOM 1129 C SER A 65 -11.318 -10.069 -8.791 1.00 0.00 C ATOM 1130 O SER A 65 -10.820 -9.130 -9.410 1.00 0.00 O ATOM 1131 CB SER A 65 -10.771 -12.447 -9.505 1.00 0.00 C ATOM 1132 OG SER A 65 -10.035 -12.298 -10.704 1.00 0.00 O ATOM 0 H SER A 65 -11.362 -12.561 -7.057 1.00 0.00 H new ATOM 0 HA SER A 65 -9.434 -11.042 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 65 -10.527 -13.406 -9.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.837 -12.465 -9.734 1.00 0.00 H new ATOM 0 HG SER A 65 -9.076 -12.326 -10.505 1.00 0.00 H new ATOM 1138 N GLU A 66 -12.564 -10.025 -8.294 1.00 0.00 N ATOM 1139 CA GLU A 66 -13.476 -8.913 -8.556 1.00 0.00 C ATOM 1140 C GLU A 66 -12.966 -7.590 -7.995 1.00 0.00 C ATOM 1141 O GLU A 66 -12.776 -6.659 -8.767 1.00 0.00 O ATOM 1142 CB GLU A 66 -14.899 -9.195 -8.042 1.00 0.00 C ATOM 1143 CG GLU A 66 -15.911 -9.231 -9.194 1.00 0.00 C ATOM 1144 CD GLU A 66 -17.282 -8.754 -8.721 1.00 0.00 C ATOM 1145 OE1 GLU A 66 -17.857 -9.428 -7.841 1.00 0.00 O ATOM 1146 OE2 GLU A 66 -17.694 -7.672 -9.209 1.00 0.00 O ATOM 0 H GLU A 66 -12.961 -10.756 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.518 -8.819 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.914 -10.147 -7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.188 -8.426 -7.325 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.562 -8.599 -10.011 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.988 -10.245 -9.586 1.00 0.00 H new ATOM 1153 N ALA A 67 -12.738 -7.474 -6.682 1.00 0.00 N ATOM 1154 CA ALA A 67 -12.381 -6.192 -6.085 1.00 0.00 C ATOM 1155 C ALA A 67 -10.956 -5.749 -6.469 1.00 0.00 C ATOM 1156 O ALA A 67 -10.695 -4.546 -6.531 1.00 0.00 O ATOM 1157 CB ALA A 67 -12.614 -6.244 -4.578 1.00 0.00 C ATOM 0 H ALA A 67 -12.795 -8.249 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 67 -13.033 -5.419 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -12.346 -5.285 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -13.665 -6.455 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -11.998 -7.030 -4.141 1.00 0.00 H new ATOM 1163 N ILE A 68 -10.063 -6.693 -6.819 1.00 0.00 N ATOM 1164 CA ILE A 68 -8.796 -6.391 -7.503 1.00 0.00 C ATOM 1165 C ILE A 68 -9.070 -5.789 -8.887 1.00 0.00 C ATOM 1166 O ILE A 68 -8.623 -4.677 -9.152 1.00 0.00 O ATOM 1167 CB ILE A 68 -7.848 -7.614 -7.565 1.00 0.00 C ATOM 1168 CG1 ILE A 68 -7.358 -7.913 -6.132 1.00 0.00 C ATOM 1169 CG2 ILE A 68 -6.635 -7.333 -8.480 1.00 0.00 C ATOM 1170 CD1 ILE A 68 -6.441 -9.138 -5.997 1.00 0.00 C ATOM 0 H ILE A 68 -10.201 -7.687 -6.635 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.266 -5.644 -6.912 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.386 -8.467 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.827 -7.038 -5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.227 -8.057 -5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.987 -8.209 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.984 -7.112 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.078 -6.480 -8.093 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.152 -9.263 -4.954 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.971 -10.028 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -5.549 -8.993 -6.606 1.00 0.00 H new ATOM 1182 N ALA A 69 -9.792 -6.486 -9.774 1.00 0.00 N ATOM 1183 CA ALA A 69 -10.096 -5.971 -11.110 1.00 0.00 C ATOM 1184 C ALA A 69 -10.859 -4.636 -11.061 1.00 0.00 C ATOM 1185 O ALA A 69 -10.532 -3.727 -11.821 1.00 0.00 O ATOM 1186 CB ALA A 69 -10.850 -7.038 -11.908 1.00 0.00 C ATOM 0 H ALA A 69 -10.177 -7.412 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.157 -5.753 -11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.077 -6.655 -12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.232 -7.932 -11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.779 -7.288 -11.395 1.00 0.00 H new ATOM 1192 N GLN A 70 -11.804 -4.487 -10.122 1.00 0.00 N ATOM 1193 CA GLN A 70 -12.478 -3.235 -9.787 1.00 0.00 C ATOM 1194 C GLN A 70 -11.451 -2.157 -9.423 1.00 0.00 C ATOM 1195 O GLN A 70 -11.359 -1.190 -10.164 1.00 0.00 O ATOM 1196 CB GLN A 70 -13.506 -3.435 -8.665 1.00 0.00 C ATOM 1197 CG GLN A 70 -14.776 -4.225 -9.062 1.00 0.00 C ATOM 1198 CD GLN A 70 -15.565 -4.705 -7.833 1.00 0.00 C ATOM 1199 OE1 GLN A 70 -15.362 -4.254 -6.713 1.00 0.00 O ATOM 1200 NE2 GLN A 70 -16.483 -5.649 -7.930 1.00 0.00 N ATOM 0 H GLN A 70 -12.129 -5.270 -9.555 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.027 -2.897 -10.666 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.020 -3.953 -7.838 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.809 -2.456 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.416 -3.595 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.493 -5.085 -9.669 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.695 -6.063 -8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.980 -5.965 -7.097 1.00 0.00 H new ATOM 1209 N VAL A 71 -10.627 -2.300 -8.367 1.00 0.00 N ATOM 1210 CA VAL A 71 -9.639 -1.252 -8.020 1.00 0.00 C ATOM 1211 C VAL A 71 -8.583 -1.015 -9.119 1.00 0.00 C ATOM 1212 O VAL A 71 -8.047 0.087 -9.222 1.00 0.00 O ATOM 1213 CB VAL A 71 -9.008 -1.482 -6.628 1.00 0.00 C ATOM 1214 CG1 VAL A 71 -7.896 -2.536 -6.608 1.00 0.00 C ATOM 1215 CG2 VAL A 71 -8.444 -0.178 -6.047 1.00 0.00 C ATOM 0 H VAL A 71 -10.622 -3.112 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.203 -0.321 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 71 -9.830 -1.855 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.508 -2.636 -5.594 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.297 -3.494 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.092 -2.229 -7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.008 -0.375 -5.068 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.677 0.215 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.247 0.553 -5.946 1.00 0.00 H new ATOM 1225 N LYS A 72 -8.314 -2.000 -9.995 1.00 0.00 N ATOM 1226 CA LYS A 72 -7.513 -1.798 -11.213 1.00 0.00 C ATOM 1227 C LYS A 72 -8.199 -0.853 -12.213 1.00 0.00 C ATOM 1228 O LYS A 72 -7.509 -0.020 -12.795 1.00 0.00 O ATOM 1229 CB LYS A 72 -7.177 -3.131 -11.907 1.00 0.00 C ATOM 1230 CG LYS A 72 -6.292 -4.090 -11.088 1.00 0.00 C ATOM 1231 CD LYS A 72 -4.958 -4.413 -11.770 1.00 0.00 C ATOM 1232 CE LYS A 72 -4.005 -3.212 -11.713 1.00 0.00 C ATOM 1233 NZ LYS A 72 -2.723 -3.568 -11.063 1.00 0.00 N ATOM 0 H LYS A 72 -8.646 -2.957 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.584 -1.331 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.109 -3.641 -12.151 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.675 -2.915 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.095 -3.648 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.837 -5.018 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.496 -5.272 -11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.135 -4.692 -12.809 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.814 -2.849 -12.723 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.478 -2.396 -11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.102 -2.734 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.904 -3.891 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.261 -4.329 -11.600 1.00 0.00 H new ATOM 1247 N THR A 73 -9.517 -0.978 -12.432 1.00 0.00 N ATOM 1248 CA THR A 73 -10.278 -0.076 -13.321 1.00 0.00 C ATOM 1249 C THR A 73 -10.761 1.215 -12.629 1.00 0.00 C ATOM 1250 O THR A 73 -10.934 2.232 -13.297 1.00 0.00 O ATOM 1251 CB THR A 73 -11.411 -0.832 -14.051 1.00 0.00 C ATOM 1252 OG1 THR A 73 -11.968 -0.022 -15.062 1.00 0.00 O ATOM 1253 CG2 THR A 73 -12.566 -1.336 -13.182 1.00 0.00 C ATOM 0 H THR A 73 -10.088 -1.705 -12.000 1.00 0.00 H new ATOM 0 HA THR A 73 -9.578 0.270 -14.082 1.00 0.00 H new ATOM 0 HB THR A 73 -10.909 -1.718 -14.441 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.683 -0.513 -15.518 1.00 0.00 H new ATOM 0 HG21 THR A 73 -13.296 -1.849 -13.809 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.182 -2.027 -12.432 1.00 0.00 H new ATOM 0 HG23 THR A 73 -13.044 -0.491 -12.686 1.00 0.00 H new ATOM 1261 N GLU A 74 -10.886 1.211 -11.298 1.00 0.00 N ATOM 1262 CA GLU A 74 -11.321 2.308 -10.425 1.00 0.00 C ATOM 1263 C GLU A 74 -10.224 2.623 -9.384 1.00 0.00 C ATOM 1264 O GLU A 74 -10.342 2.230 -8.219 1.00 0.00 O ATOM 1265 CB GLU A 74 -12.655 1.943 -9.739 1.00 0.00 C ATOM 1266 CG GLU A 74 -13.846 1.871 -10.701 1.00 0.00 C ATOM 1267 CD GLU A 74 -15.085 1.322 -9.983 1.00 0.00 C ATOM 1268 OE1 GLU A 74 -15.833 2.150 -9.415 1.00 0.00 O ATOM 1269 OE2 GLU A 74 -15.265 0.083 -10.004 1.00 0.00 O ATOM 0 H GLU A 74 -10.668 0.373 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.484 3.203 -11.026 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.545 0.980 -9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.869 2.681 -8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.059 2.863 -11.100 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.598 1.233 -11.549 1.00 0.00 H new