USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 639 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 72 TYR OH : rot -135:sc= 0.178 USER MOD Set 1.2: A 89 GLN : amide:sc= -1.76! C(o=-0.67!,f=-1.1!) USER MOD Set 1.3: A 92 SER OG : rot 129:sc= 0.91 USER MOD Set 2.1: A 46 SER OG : rot 39:sc= 0.083 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.269 USER MOD Single : A 14 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc=-0.00322 X(o=-0.0032,f=-0.0041) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0551) USER MOD Single : A 28 SER OG : rot 22:sc= -0.63 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 45 TYR OH : rot -88:sc= 0.269 USER MOD Single : A 51 LYS NZ :NH3+ -112:sc= -0.274 (180deg=-1.78!) USER MOD Single : A 52 GLN : amide:sc= -0.0908 K(o=-0.091,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -2.48! (180deg=-6.3!) USER MOD Single : A 59 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.0965 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -11.2! C(o=-11!,f=-16!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 86 TYR OH : rot 120:sc= -0.248 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.395 -12.430 0.023 1.00 0.00 N ATOM 137 CA TRP A 13 -6.112 -11.229 -0.754 1.00 0.00 C ATOM 138 C TRP A 13 -4.640 -10.846 -0.650 1.00 0.00 C ATOM 139 O TRP A 13 -4.127 -10.607 0.444 1.00 0.00 O ATOM 140 CB TRP A 13 -6.988 -10.069 -0.276 1.00 0.00 C ATOM 141 CG TRP A 13 -6.761 -8.800 -1.039 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.615 -8.058 -1.073 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.705 -8.122 -1.876 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.789 -6.960 -1.881 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.063 -6.977 -2.386 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.029 -8.372 -2.245 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.701 -6.086 -3.244 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.662 -7.487 -3.097 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.998 -6.355 -3.589 1.00 0.00 C ATOM 0 HA TRP A 13 -6.340 -11.441 -1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.036 -10.355 -0.364 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -6.794 -9.888 0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.705 -8.299 -0.543 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.084 -6.248 -2.074 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.549 -9.242 -1.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.191 -5.213 -3.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.686 -7.671 -3.389 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.520 -5.682 -4.253 1.00 0.00 H new ATOM 160 N HIS A 14 -3.965 -10.791 -1.793 1.00 0.00 N ATOM 161 CA HIS A 14 -2.550 -10.436 -1.830 1.00 0.00 C ATOM 162 C HIS A 14 -2.291 -9.341 -2.859 1.00 0.00 C ATOM 163 O HIS A 14 -2.974 -9.261 -3.882 1.00 0.00 O ATOM 164 CB HIS A 14 -1.703 -11.667 -2.153 1.00 0.00 C ATOM 165 CG HIS A 14 -1.605 -11.960 -3.618 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.503 -12.766 -4.286 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.710 -11.547 -4.546 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.163 -12.838 -5.560 1.00 0.00 C ATOM 169 NE2 HIS A 14 -1.079 -12.106 -5.745 1.00 0.00 N ATOM 0 H HIS A 14 -4.374 -10.988 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.269 -10.059 -0.847 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.700 -11.523 -1.752 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.128 -12.533 -1.645 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.137 -10.899 -4.375 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.683 -13.400 -6.322 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.595 -11.977 -6.634 1.00 0.00 H new ATOM 178 N LEU A 15 -1.302 -8.498 -2.583 1.00 0.00 N ATOM 179 CA LEU A 15 -0.953 -7.407 -3.486 1.00 0.00 C ATOM 180 C LEU A 15 0.561 -7.237 -3.575 1.00 0.00 C ATOM 181 O LEU A 15 1.290 -7.587 -2.648 1.00 0.00 O ATOM 182 CB LEU A 15 -1.596 -6.102 -3.012 1.00 0.00 C ATOM 183 CG LEU A 15 -1.807 -5.031 -4.082 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.934 -5.429 -5.022 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.099 -3.683 -3.438 1.00 0.00 C ATOM 0 H LEU A 15 -0.728 -8.549 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.332 -7.653 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.563 -6.337 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.975 -5.680 -2.222 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.890 -4.942 -4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.069 -4.654 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.685 -6.371 -5.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.857 -5.547 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.246 -2.933 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.001 -3.758 -2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.259 -3.392 -2.807 1.00 0.00 H new ATOM 197 N ALA A 16 1.025 -6.696 -4.697 1.00 0.00 N ATOM 198 CA ALA A 16 2.451 -6.477 -4.906 1.00 0.00 C ATOM 199 C ALA A 16 2.826 -5.022 -4.642 1.00 0.00 C ATOM 200 O ALA A 16 2.089 -4.105 -5.003 1.00 0.00 O ATOM 201 CB ALA A 16 2.845 -6.878 -6.320 1.00 0.00 C ATOM 0 H ALA A 16 0.434 -6.402 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 16 2.998 -7.100 -4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.912 -6.709 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.621 -7.933 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.284 -6.279 -7.038 1.00 0.00 H new ATOM 207 N VAL A 17 3.978 -4.819 -4.010 1.00 0.00 N ATOM 208 CA VAL A 17 4.452 -3.476 -3.698 1.00 0.00 C ATOM 209 C VAL A 17 5.814 -3.213 -4.330 1.00 0.00 C ATOM 210 O VAL A 17 6.764 -3.967 -4.119 1.00 0.00 O ATOM 211 CB VAL A 17 4.552 -3.255 -2.177 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.098 -1.868 -1.874 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.196 -3.458 -1.519 1.00 0.00 C ATOM 0 H VAL A 17 4.600 -5.567 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 17 3.723 -2.779 -4.111 1.00 0.00 H new ATOM 0 HB VAL A 17 5.244 -3.990 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.162 -1.730 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.091 -1.764 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.434 -1.115 -2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.285 -3.298 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.481 -2.748 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.849 -4.474 -1.707 1.00 0.00 H new ATOM 223 N LYS A 18 5.903 -2.138 -5.106 1.00 0.00 N ATOM 224 CA LYS A 18 7.150 -1.773 -5.768 1.00 0.00 C ATOM 225 C LYS A 18 7.612 -0.386 -5.332 1.00 0.00 C ATOM 226 O LYS A 18 6.805 0.536 -5.205 1.00 0.00 O ATOM 227 CB LYS A 18 6.973 -1.810 -7.288 1.00 0.00 C ATOM 228 CG LYS A 18 7.266 -3.168 -7.902 1.00 0.00 C ATOM 229 CD LYS A 18 8.755 -3.470 -7.904 1.00 0.00 C ATOM 230 CE LYS A 18 9.473 -2.722 -9.017 1.00 0.00 C ATOM 231 NZ LYS A 18 9.355 -3.426 -10.324 1.00 0.00 N ATOM 0 H LYS A 18 5.126 -1.504 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 18 7.912 -2.497 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.951 -1.523 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.630 -1.067 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.738 -3.942 -7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.887 -3.196 -8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.185 -3.193 -6.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.910 -4.542 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.058 -1.718 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.526 -2.610 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.857 -2.885 -11.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.774 -4.375 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.351 -3.511 -10.583 1.00 0.00 H new ATOM 245 N LEU A 19 8.913 -0.245 -5.106 1.00 0.00 N ATOM 246 CA LEU A 19 9.483 1.030 -4.686 1.00 0.00 C ATOM 247 C LEU A 19 9.917 1.856 -5.892 1.00 0.00 C ATOM 248 O LEU A 19 10.965 1.602 -6.486 1.00 0.00 O ATOM 249 CB LEU A 19 10.675 0.797 -3.757 1.00 0.00 C ATOM 250 CG LEU A 19 11.060 1.968 -2.852 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.237 1.947 -1.573 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.547 1.929 -2.532 1.00 0.00 C ATOM 0 H LEU A 19 9.593 -0.998 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 19 8.714 1.584 -4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.456 -0.066 -3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.540 0.536 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 19 10.847 2.897 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.525 2.787 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.178 2.025 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.417 1.014 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.803 2.770 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.785 0.995 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.120 1.994 -3.457 1.00 0.00 H new ATOM 264 N ALA A 20 9.106 2.847 -6.248 1.00 0.00 N ATOM 265 CA ALA A 20 9.408 3.713 -7.380 1.00 0.00 C ATOM 266 C ALA A 20 10.821 4.277 -7.278 1.00 0.00 C ATOM 267 O ALA A 20 11.530 4.388 -8.278 1.00 0.00 O ATOM 268 CB ALA A 20 8.392 4.843 -7.467 1.00 0.00 C ATOM 0 H ALA A 20 8.234 3.070 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 20 9.348 3.115 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.630 5.482 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.393 4.425 -7.595 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.424 5.432 -6.550 1.00 0.00 H new ATOM 274 N ASP A 21 11.224 4.634 -6.063 1.00 0.00 N ATOM 275 CA ASP A 21 12.554 5.186 -5.830 1.00 0.00 C ATOM 276 C ASP A 21 13.635 4.215 -6.293 1.00 0.00 C ATOM 277 O ASP A 21 14.666 4.627 -6.824 1.00 0.00 O ATOM 278 CB ASP A 21 12.742 5.510 -4.347 1.00 0.00 C ATOM 279 CG ASP A 21 13.962 6.372 -4.093 1.00 0.00 C ATOM 280 OD1 ASP A 21 15.090 5.837 -4.145 1.00 0.00 O ATOM 281 OD2 ASP A 21 13.791 7.584 -3.843 1.00 0.00 O ATOM 0 H ASP A 21 10.649 4.551 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 21 12.646 6.105 -6.409 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.855 6.022 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.833 4.581 -3.784 1.00 0.00 H new ATOM 286 N GLN A 22 13.392 2.925 -6.087 1.00 0.00 N ATOM 287 CA GLN A 22 14.346 1.895 -6.482 1.00 0.00 C ATOM 288 C GLN A 22 13.726 0.937 -7.494 1.00 0.00 C ATOM 289 O GLN A 22 13.071 -0.042 -7.137 1.00 0.00 O ATOM 290 CB GLN A 22 14.827 1.119 -5.255 1.00 0.00 C ATOM 291 CG GLN A 22 15.484 1.994 -4.200 1.00 0.00 C ATOM 292 CD GLN A 22 16.268 1.190 -3.181 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.211 0.479 -3.526 1.00 0.00 O ATOM 294 NE2 GLN A 22 15.880 1.300 -1.915 1.00 0.00 N ATOM 0 H GLN A 22 12.543 2.568 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 22 15.199 2.386 -6.950 1.00 0.00 H new ATOM 0 HB2 GLN A 22 13.979 0.601 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.536 0.355 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.151 2.705 -4.687 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.718 2.575 -3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.092 1.901 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.370 0.783 -1.185 1.00 0.00 H new ATOM 303 N PRO A 23 13.935 1.225 -8.787 1.00 0.00 N ATOM 304 CA PRO A 23 13.405 0.401 -9.877 1.00 0.00 C ATOM 305 C PRO A 23 14.095 -0.956 -9.966 1.00 0.00 C ATOM 306 O PRO A 23 13.667 -1.833 -10.718 1.00 0.00 O ATOM 307 CB PRO A 23 13.700 1.234 -11.127 1.00 0.00 C ATOM 308 CG PRO A 23 14.865 2.082 -10.751 1.00 0.00 C ATOM 309 CD PRO A 23 14.706 2.377 -9.284 1.00 0.00 C ATOM 0 HA PRO A 23 12.348 0.174 -9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.933 0.598 -11.981 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.841 1.843 -11.408 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.804 1.564 -10.945 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.882 3.002 -11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.671 2.461 -8.784 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.178 3.316 -9.118 1.00 0.00 H new ATOM 317 N LEU A 24 15.163 -1.123 -9.194 1.00 0.00 N ATOM 318 CA LEU A 24 15.912 -2.375 -9.185 1.00 0.00 C ATOM 319 C LEU A 24 15.508 -3.243 -7.998 1.00 0.00 C ATOM 320 O LEU A 24 15.480 -4.470 -8.094 1.00 0.00 O ATOM 321 CB LEU A 24 17.414 -2.093 -9.138 1.00 0.00 C ATOM 322 CG LEU A 24 17.949 -1.123 -10.192 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.258 -0.501 -9.731 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.135 -1.833 -11.525 1.00 0.00 C ATOM 0 H LEU A 24 15.530 -0.408 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 24 15.679 -2.916 -10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.658 -1.697 -8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.944 -3.040 -9.242 1.00 0.00 H new ATOM 0 HG LEU A 24 17.219 -0.325 -10.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.623 0.186 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.095 0.043 -8.801 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.996 -1.286 -9.567 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.516 -1.127 -12.263 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.845 -2.652 -11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.177 -2.229 -11.863 1.00 0.00 H new ATOM 336 N ALA A 25 15.195 -2.598 -6.879 1.00 0.00 N ATOM 337 CA ALA A 25 14.788 -3.310 -5.674 1.00 0.00 C ATOM 338 C ALA A 25 13.749 -4.380 -5.993 1.00 0.00 C ATOM 339 O ALA A 25 12.983 -4.269 -6.950 1.00 0.00 O ATOM 340 CB ALA A 25 14.244 -2.334 -4.642 1.00 0.00 C ATOM 0 H ALA A 25 15.216 -1.583 -6.782 1.00 0.00 H new ATOM 0 HA ALA A 25 15.666 -3.806 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.944 -2.880 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.017 -1.610 -4.383 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.381 -1.812 -5.055 1.00 0.00 H new ATOM 346 N PRO A 26 13.721 -5.441 -5.174 1.00 0.00 N ATOM 347 CA PRO A 26 12.781 -6.552 -5.349 1.00 0.00 C ATOM 348 C PRO A 26 11.344 -6.149 -5.036 1.00 0.00 C ATOM 349 O PRO A 26 11.090 -5.052 -4.538 1.00 0.00 O ATOM 350 CB PRO A 26 13.274 -7.597 -4.345 1.00 0.00 C ATOM 351 CG PRO A 26 13.988 -6.810 -3.300 1.00 0.00 C ATOM 352 CD PRO A 26 14.606 -5.639 -4.013 1.00 0.00 C ATOM 0 HA PRO A 26 12.759 -6.909 -6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.443 -8.159 -3.919 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.938 -8.320 -4.819 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.299 -6.475 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.751 -7.415 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.640 -4.754 -3.378 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.630 -5.850 -4.320 1.00 0.00 H new ATOM 360 N LYS A 27 10.406 -7.043 -5.331 1.00 0.00 N ATOM 361 CA LYS A 27 8.993 -6.782 -5.079 1.00 0.00 C ATOM 362 C LYS A 27 8.625 -7.126 -3.640 1.00 0.00 C ATOM 363 O LYS A 27 9.245 -7.990 -3.019 1.00 0.00 O ATOM 364 CB LYS A 27 8.125 -7.590 -6.046 1.00 0.00 C ATOM 365 CG LYS A 27 6.663 -7.176 -6.042 1.00 0.00 C ATOM 366 CD LYS A 27 5.750 -8.350 -6.351 1.00 0.00 C ATOM 367 CE LYS A 27 5.492 -8.477 -7.845 1.00 0.00 C ATOM 368 NZ LYS A 27 4.499 -9.545 -8.147 1.00 0.00 N ATOM 0 H LYS A 27 10.599 -7.955 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 27 8.811 -5.719 -5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.522 -7.481 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.195 -8.647 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.405 -6.759 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.505 -6.388 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.200 -9.270 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.803 -8.224 -5.826 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.131 -7.525 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.428 -8.696 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.605 -9.848 -9.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.660 -10.357 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.538 -9.177 -7.999 1.00 0.00 H new ATOM 382 N SER A 28 7.610 -6.446 -3.115 1.00 0.00 N ATOM 383 CA SER A 28 7.160 -6.679 -1.747 1.00 0.00 C ATOM 384 C SER A 28 5.671 -7.007 -1.714 1.00 0.00 C ATOM 385 O SER A 28 4.827 -6.132 -1.909 1.00 0.00 O ATOM 386 CB SER A 28 7.443 -5.451 -0.880 1.00 0.00 C ATOM 387 OG SER A 28 7.453 -4.267 -1.658 1.00 0.00 O ATOM 0 H SER A 28 7.084 -5.730 -3.616 1.00 0.00 H new ATOM 0 HA SER A 28 7.711 -7.531 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.686 -5.371 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.404 -5.569 -0.380 1.00 0.00 H new ATOM 0 HG SER A 28 6.949 -4.415 -2.486 1.00 0.00 H new ATOM 393 N ILE A 29 5.356 -8.274 -1.466 1.00 0.00 N ATOM 394 CA ILE A 29 3.969 -8.719 -1.406 1.00 0.00 C ATOM 395 C ILE A 29 3.332 -8.353 -0.069 1.00 0.00 C ATOM 396 O ILE A 29 3.804 -8.768 0.990 1.00 0.00 O ATOM 397 CB ILE A 29 3.856 -10.240 -1.616 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.592 -10.656 -2.892 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.395 -10.659 -1.680 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.943 -10.144 -4.158 1.00 0.00 C ATOM 0 H ILE A 29 6.043 -9.011 -1.303 1.00 0.00 H new ATOM 0 HA ILE A 29 3.439 -8.209 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 29 4.321 -10.745 -0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.618 -10.290 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.643 -11.744 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.332 -11.737 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.899 -10.392 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.906 -10.149 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.518 -10.477 -5.022 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.926 -10.531 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.916 -9.055 -4.138 1.00 0.00 H new ATOM 412 N LEU A 30 2.257 -7.574 -0.126 1.00 0.00 N ATOM 413 CA LEU A 30 1.553 -7.154 1.080 1.00 0.00 C ATOM 414 C LEU A 30 0.257 -7.938 1.256 1.00 0.00 C ATOM 415 O LEU A 30 -0.439 -8.229 0.284 1.00 0.00 O ATOM 416 CB LEU A 30 1.251 -5.655 1.022 1.00 0.00 C ATOM 417 CG LEU A 30 0.527 -5.069 2.234 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.516 -4.749 3.344 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.253 -3.823 1.838 1.00 0.00 C ATOM 0 H LEU A 30 1.854 -7.221 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 30 2.197 -7.357 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.192 -5.120 0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.648 -5.460 0.135 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.178 -5.813 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.982 -4.333 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.031 -5.661 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.245 -4.024 2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.762 -3.419 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.433 -3.075 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.989 -4.081 1.077 1.00 0.00 H new ATOM 431 N GLN A 31 -0.060 -8.276 2.502 1.00 0.00 N ATOM 432 CA GLN A 31 -1.274 -9.025 2.804 1.00 0.00 C ATOM 433 C GLN A 31 -2.159 -8.258 3.780 1.00 0.00 C ATOM 434 O GLN A 31 -1.958 -8.316 4.994 1.00 0.00 O ATOM 435 CB GLN A 31 -0.921 -10.395 3.385 1.00 0.00 C ATOM 436 CG GLN A 31 -0.266 -11.331 2.383 1.00 0.00 C ATOM 437 CD GLN A 31 0.002 -12.708 2.958 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.169 -12.866 4.168 1.00 0.00 O ATOM 439 NE2 GLN A 31 0.044 -13.714 2.093 1.00 0.00 N ATOM 0 H GLN A 31 0.506 -8.043 3.318 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.826 -9.163 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.251 -10.259 4.234 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.828 -10.863 3.767 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.908 -11.426 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.673 -10.894 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.100 -13.538 1.099 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.220 -14.663 2.423 1.00 0.00 H new ATOM 448 N LEU A 32 -3.139 -7.539 3.244 1.00 0.00 N ATOM 449 CA LEU A 32 -4.056 -6.759 4.068 1.00 0.00 C ATOM 450 C LEU A 32 -4.872 -7.666 4.983 1.00 0.00 C ATOM 451 O LEU A 32 -5.136 -8.828 4.671 1.00 0.00 O ATOM 452 CB LEU A 32 -4.991 -5.933 3.183 1.00 0.00 C ATOM 453 CG LEU A 32 -5.740 -6.704 2.096 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.067 -7.223 2.627 1.00 0.00 C ATOM 455 CD2 LEU A 32 -5.961 -5.824 0.874 1.00 0.00 C ATOM 0 H LEU A 32 -3.319 -7.480 2.242 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.465 -6.086 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.724 -5.441 3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.406 -5.147 2.706 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.132 -7.558 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.586 -7.769 1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.886 -7.889 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.682 -6.384 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.495 -6.389 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.548 -4.950 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.998 -5.502 0.479 1.00 0.00 H new ATOM 467 N PRO A 33 -5.283 -7.125 6.139 1.00 0.00 N ATOM 468 CA PRO A 33 -6.078 -7.868 7.122 1.00 0.00 C ATOM 469 C PRO A 33 -7.496 -8.142 6.633 1.00 0.00 C ATOM 470 O PRO A 33 -7.958 -7.533 5.669 1.00 0.00 O ATOM 471 CB PRO A 33 -6.102 -6.936 8.336 1.00 0.00 C ATOM 472 CG PRO A 33 -5.901 -5.572 7.770 1.00 0.00 C ATOM 473 CD PRO A 33 -5.004 -5.747 6.576 1.00 0.00 C ATOM 0 HA PRO A 33 -5.654 -8.851 7.330 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.049 -7.007 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.315 -7.190 9.046 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.852 -5.125 7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.447 -4.907 8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.231 -5.023 5.793 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.955 -5.613 6.839 1.00 0.00 H new ATOM 598 N LEU A 42 -13.279 -7.231 -1.939 1.00 0.00 N ATOM 599 CA LEU A 42 -13.339 -6.161 -0.950 1.00 0.00 C ATOM 600 C LEU A 42 -14.073 -4.945 -1.507 1.00 0.00 C ATOM 601 O LEU A 42 -15.146 -4.582 -1.028 1.00 0.00 O ATOM 602 CB LEU A 42 -11.927 -5.763 -0.514 1.00 0.00 C ATOM 603 CG LEU A 42 -11.017 -6.906 -0.065 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.607 -6.396 0.192 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.578 -7.578 1.179 1.00 0.00 C ATOM 0 HA LEU A 42 -13.890 -6.530 -0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.445 -5.245 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.009 -5.047 0.304 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.974 -7.646 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.973 -7.224 0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.204 -5.962 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.632 -5.636 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.917 -8.389 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.652 -6.848 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.568 -7.979 0.961 1.00 0.00 H new ATOM 617 N GLY A 43 -13.487 -4.321 -2.524 1.00 0.00 N ATOM 618 CA GLY A 43 -14.100 -3.154 -3.131 1.00 0.00 C ATOM 619 C GLY A 43 -14.696 -2.212 -2.104 1.00 0.00 C ATOM 620 O GLY A 43 -15.915 -2.140 -1.950 1.00 0.00 O ATOM 0 H GLY A 43 -12.599 -4.603 -2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.354 -2.620 -3.719 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.880 -3.475 -3.821 1.00 0.00 H new ATOM 624 N GLY A 44 -13.834 -1.487 -1.397 1.00 0.00 N ATOM 625 CA GLY A 44 -14.301 -0.556 -0.386 1.00 0.00 C ATOM 626 C GLY A 44 -13.163 0.087 0.381 1.00 0.00 C ATOM 627 O GLY A 44 -13.266 1.236 0.811 1.00 0.00 O ATOM 0 H GLY A 44 -12.821 -1.528 -1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.899 0.221 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.955 -1.080 0.311 1.00 0.00 H new ATOM 631 N TYR A 45 -12.075 -0.655 0.553 1.00 0.00 N ATOM 632 CA TYR A 45 -10.913 -0.152 1.277 1.00 0.00 C ATOM 633 C TYR A 45 -10.512 1.230 0.771 1.00 0.00 C ATOM 634 O TYR A 45 -10.526 1.491 -0.432 1.00 0.00 O ATOM 635 CB TYR A 45 -9.738 -1.121 1.134 1.00 0.00 C ATOM 636 CG TYR A 45 -9.745 -2.237 2.154 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.172 -2.061 3.408 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.324 -3.466 1.865 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.175 -3.078 4.343 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.333 -4.488 2.795 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.757 -4.289 4.032 1.00 0.00 C ATOM 642 OH TYR A 45 -9.763 -5.304 4.961 1.00 0.00 O ATOM 0 H TYR A 45 -11.973 -1.607 0.201 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.181 -0.069 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.755 -1.554 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.806 -0.564 1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.717 -1.113 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.775 -3.626 0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.724 -2.926 5.312 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.789 -5.437 2.554 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.945 -5.836 4.870 1.00 0.00 H new ATOM 652 N SER A 46 -10.154 2.112 1.698 1.00 0.00 N ATOM 653 CA SER A 46 -9.752 3.469 1.348 1.00 0.00 C ATOM 654 C SER A 46 -8.250 3.541 1.093 1.00 0.00 C ATOM 655 O SER A 46 -7.446 3.129 1.930 1.00 0.00 O ATOM 656 CB SER A 46 -10.139 4.442 2.463 1.00 0.00 C ATOM 657 OG SER A 46 -9.685 3.979 3.724 1.00 0.00 O ATOM 0 H SER A 46 -10.134 1.911 2.698 1.00 0.00 H new ATOM 0 HA SER A 46 -10.272 3.751 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.713 5.424 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.222 4.563 2.485 1.00 0.00 H new ATOM 0 HG SER A 46 -8.800 3.569 3.623 1.00 0.00 H new ATOM 663 N ILE A 47 -7.878 4.068 -0.069 1.00 0.00 N ATOM 664 CA ILE A 47 -6.473 4.195 -0.435 1.00 0.00 C ATOM 665 C ILE A 47 -5.619 4.546 0.778 1.00 0.00 C ATOM 666 O ILE A 47 -4.544 3.980 0.977 1.00 0.00 O ATOM 667 CB ILE A 47 -6.269 5.270 -1.520 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.068 4.916 -2.776 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.791 5.416 -1.849 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.612 3.636 -3.441 1.00 0.00 C ATOM 0 H ILE A 47 -8.530 4.414 -0.773 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.161 3.228 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.632 6.224 -1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.122 4.824 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.989 5.735 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.663 6.179 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.246 5.709 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.404 4.465 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.222 3.447 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.567 3.731 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.718 2.806 -2.743 1.00 0.00 H new ATOM 682 N SER A 48 -6.105 5.481 1.588 1.00 0.00 N ATOM 683 CA SER A 48 -5.385 5.908 2.782 1.00 0.00 C ATOM 684 C SER A 48 -4.939 4.705 3.607 1.00 0.00 C ATOM 685 O SER A 48 -3.783 4.617 4.022 1.00 0.00 O ATOM 686 CB SER A 48 -6.265 6.826 3.632 1.00 0.00 C ATOM 687 OG SER A 48 -7.236 6.082 4.348 1.00 0.00 O ATOM 0 H SER A 48 -6.995 5.957 1.439 1.00 0.00 H new ATOM 0 HA SER A 48 -4.499 6.457 2.465 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.643 7.386 4.331 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.761 7.555 2.991 1.00 0.00 H new ATOM 0 HG SER A 48 -7.785 6.691 4.885 1.00 0.00 H new ATOM 693 N PHE A 49 -5.863 3.780 3.840 1.00 0.00 N ATOM 694 CA PHE A 49 -5.567 2.581 4.616 1.00 0.00 C ATOM 695 C PHE A 49 -4.265 1.938 4.147 1.00 0.00 C ATOM 696 O PHE A 49 -3.281 1.891 4.886 1.00 0.00 O ATOM 697 CB PHE A 49 -6.716 1.577 4.502 1.00 0.00 C ATOM 698 CG PHE A 49 -6.536 0.361 5.365 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.355 0.486 6.733 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.549 -0.908 4.808 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.189 -0.632 7.529 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.384 -2.030 5.599 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.205 -1.891 6.961 1.00 0.00 C ATOM 0 H PHE A 49 -6.824 3.837 3.503 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.452 2.873 5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.648 2.071 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.813 1.264 3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.343 1.468 7.183 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.690 -1.022 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.047 -0.521 8.594 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.395 -3.013 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.078 -2.766 7.582 1.00 0.00 H new ATOM 713 N LEU A 50 -4.268 1.442 2.914 1.00 0.00 N ATOM 714 CA LEU A 50 -3.088 0.800 2.345 1.00 0.00 C ATOM 715 C LEU A 50 -1.828 1.598 2.662 1.00 0.00 C ATOM 716 O LEU A 50 -0.912 1.100 3.316 1.00 0.00 O ATOM 717 CB LEU A 50 -3.245 0.652 0.831 1.00 0.00 C ATOM 718 CG LEU A 50 -4.005 -0.586 0.352 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.321 -0.478 -1.131 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.203 -1.847 0.638 1.00 0.00 C ATOM 0 H LEU A 50 -5.074 1.472 2.290 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.991 -0.189 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.756 1.537 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.252 0.640 0.382 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.946 -0.646 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.862 -1.368 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.936 0.404 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.393 -0.393 -1.696 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.759 -2.718 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.246 -1.796 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.029 -1.932 1.711 1.00 0.00 H new ATOM 732 N LYS A 51 -1.789 2.842 2.196 1.00 0.00 N ATOM 733 CA LYS A 51 -0.643 3.712 2.431 1.00 0.00 C ATOM 734 C LYS A 51 -0.055 3.474 3.819 1.00 0.00 C ATOM 735 O LYS A 51 1.146 3.639 4.030 1.00 0.00 O ATOM 736 CB LYS A 51 -1.052 5.180 2.284 1.00 0.00 C ATOM 737 CG LYS A 51 -1.030 5.676 0.848 1.00 0.00 C ATOM 738 CD LYS A 51 -1.709 7.028 0.715 1.00 0.00 C ATOM 739 CE LYS A 51 -1.747 7.493 -0.732 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.335 8.855 -0.863 1.00 0.00 N ATOM 0 H LYS A 51 -2.539 3.270 1.653 1.00 0.00 H new ATOM 0 HA LYS A 51 0.118 3.477 1.687 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.055 5.312 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.382 5.797 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.001 5.750 0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.530 4.952 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.725 6.966 1.105 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.179 7.763 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.736 7.493 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.330 6.788 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.250 8.792 -1.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.476 9.265 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.690 9.460 -1.410 1.00 0.00 H new ATOM 754 N GLN A 52 -0.910 3.085 4.759 1.00 0.00 N ATOM 755 CA GLN A 52 -0.473 2.824 6.126 1.00 0.00 C ATOM 756 C GLN A 52 0.185 1.453 6.235 1.00 0.00 C ATOM 757 O GLN A 52 1.237 1.305 6.859 1.00 0.00 O ATOM 758 CB GLN A 52 -1.660 2.911 7.088 1.00 0.00 C ATOM 759 CG GLN A 52 -2.416 4.227 7.003 1.00 0.00 C ATOM 760 CD GLN A 52 -3.051 4.621 8.323 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.042 3.851 9.284 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.607 5.826 8.376 1.00 0.00 N ATOM 0 H GLN A 52 -1.908 2.944 4.600 1.00 0.00 H new ATOM 0 HA GLN A 52 0.262 3.582 6.397 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.348 2.092 6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.301 2.773 8.108 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.733 5.014 6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.191 4.148 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.591 6.431 7.555 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.050 6.146 9.237 1.00 0.00 H new ATOM 771 N LEU A 53 -0.440 0.452 5.624 1.00 0.00 N ATOM 772 CA LEU A 53 0.085 -0.909 5.652 1.00 0.00 C ATOM 773 C LEU A 53 1.454 -0.978 4.983 1.00 0.00 C ATOM 774 O LEU A 53 2.412 -1.495 5.559 1.00 0.00 O ATOM 775 CB LEU A 53 -0.885 -1.865 4.956 1.00 0.00 C ATOM 776 CG LEU A 53 -2.172 -2.186 5.716 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.281 -1.224 5.318 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.596 -3.626 5.464 1.00 0.00 C ATOM 0 H LEU A 53 -1.311 0.557 5.103 1.00 0.00 H new ATOM 0 HA LEU A 53 0.195 -1.209 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.154 -1.438 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.362 -2.800 4.756 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.981 -2.066 6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.189 -1.468 5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.978 -0.203 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.471 -1.311 4.248 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.514 -3.836 6.013 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.769 -3.773 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.809 -4.301 5.800 1.00 0.00 H new ATOM 790 N ILE A 54 1.538 -0.453 3.765 1.00 0.00 N ATOM 791 CA ILE A 54 2.791 -0.453 3.019 1.00 0.00 C ATOM 792 C ILE A 54 3.894 0.255 3.798 1.00 0.00 C ATOM 793 O ILE A 54 4.946 -0.324 4.070 1.00 0.00 O ATOM 794 CB ILE A 54 2.629 0.228 1.647 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.653 -0.563 0.773 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.979 0.359 0.959 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.214 -0.120 0.921 1.00 0.00 C ATOM 0 H ILE A 54 0.754 -0.023 3.274 1.00 0.00 H new ATOM 0 HA ILE A 54 3.068 -1.496 2.867 1.00 0.00 H new ATOM 0 HB ILE A 54 2.222 1.228 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.950 -0.463 -0.271 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.727 -1.621 1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.849 0.842 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.646 0.960 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.412 -0.631 0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.421 -0.724 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.101 -0.246 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.126 0.929 0.640 1.00 0.00 H new ATOM 809 N ALA A 55 3.646 1.510 4.157 1.00 0.00 N ATOM 810 CA ALA A 55 4.617 2.296 4.908 1.00 0.00 C ATOM 811 C ALA A 55 5.129 1.524 6.120 1.00 0.00 C ATOM 812 O ALA A 55 6.306 1.606 6.468 1.00 0.00 O ATOM 813 CB ALA A 55 4.002 3.618 5.343 1.00 0.00 C ATOM 0 H ALA A 55 2.781 2.004 3.940 1.00 0.00 H new ATOM 0 HA ALA A 55 5.466 2.500 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.738 4.195 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.692 4.182 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.135 3.425 5.975 1.00 0.00 H new ATOM 819 N GLY A 56 4.235 0.775 6.759 1.00 0.00 N ATOM 820 CA GLY A 56 4.616 0.000 7.925 1.00 0.00 C ATOM 821 C GLY A 56 5.479 -1.195 7.571 1.00 0.00 C ATOM 822 O GLY A 56 6.339 -1.603 8.353 1.00 0.00 O ATOM 0 H GLY A 56 3.255 0.691 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.156 0.640 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.718 -0.344 8.438 1.00 0.00 H new ATOM 826 N LYS A 57 5.251 -1.759 6.390 1.00 0.00 N ATOM 827 CA LYS A 57 6.014 -2.914 5.933 1.00 0.00 C ATOM 828 C LYS A 57 7.350 -2.483 5.338 1.00 0.00 C ATOM 829 O LYS A 57 8.336 -3.218 5.402 1.00 0.00 O ATOM 830 CB LYS A 57 5.212 -3.702 4.894 1.00 0.00 C ATOM 831 CG LYS A 57 4.244 -4.702 5.503 1.00 0.00 C ATOM 832 CD LYS A 57 4.904 -6.053 5.724 1.00 0.00 C ATOM 833 CE LYS A 57 3.894 -7.187 5.638 1.00 0.00 C ATOM 834 NZ LYS A 57 3.360 -7.351 4.258 1.00 0.00 N ATOM 0 H LYS A 57 4.543 -1.434 5.731 1.00 0.00 H new ATOM 0 HA LYS A 57 6.209 -3.553 6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.655 -3.003 4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.904 -4.231 4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.872 -4.318 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.381 -4.820 4.847 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.686 -6.203 4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.387 -6.068 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.364 -8.117 5.958 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.071 -6.993 6.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.326 -7.454 4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.604 -6.515 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.776 -8.199 3.823 1.00 0.00 H new ATOM 848 N LEU A 58 7.378 -1.286 4.761 1.00 0.00 N ATOM 849 CA LEU A 58 8.595 -0.756 4.156 1.00 0.00 C ATOM 850 C LEU A 58 9.253 0.272 5.070 1.00 0.00 C ATOM 851 O LEU A 58 9.971 1.158 4.606 1.00 0.00 O ATOM 852 CB LEU A 58 8.280 -0.123 2.800 1.00 0.00 C ATOM 853 CG LEU A 58 7.393 -0.947 1.864 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.201 -0.226 0.539 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.992 -2.328 1.641 1.00 0.00 C ATOM 0 H LEU A 58 6.572 -0.664 4.700 1.00 0.00 H new ATOM 0 HA LEU A 58 9.290 -1.583 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.796 0.838 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.221 0.082 2.290 1.00 0.00 H new ATOM 0 HG LEU A 58 6.416 -1.068 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.568 -0.827 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.727 0.740 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.170 -0.073 0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.348 -2.900 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.981 -2.228 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.076 -2.847 2.596 1.00 0.00 H new ATOM 867 N GLN A 59 9.005 0.147 6.369 1.00 0.00 N ATOM 868 CA GLN A 59 9.576 1.065 7.348 1.00 0.00 C ATOM 869 C GLN A 59 11.086 1.180 7.170 1.00 0.00 C ATOM 870 O GLN A 59 11.707 2.125 7.656 1.00 0.00 O ATOM 871 CB GLN A 59 9.251 0.598 8.767 1.00 0.00 C ATOM 872 CG GLN A 59 7.898 1.074 9.270 1.00 0.00 C ATOM 873 CD GLN A 59 7.867 1.264 10.773 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.126 0.582 11.482 1.00 0.00 O ATOM 875 NE2 GLN A 59 8.675 2.194 11.269 1.00 0.00 N ATOM 0 H GLN A 59 8.413 -0.581 6.769 1.00 0.00 H new ATOM 0 HA GLN A 59 9.134 2.048 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.278 -0.491 8.797 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.027 0.955 9.444 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.645 2.016 8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.134 0.352 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.272 2.736 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.698 2.366 12.274 1.00 0.00 H new ATOM 884 N GLU A 60 11.671 0.211 6.472 1.00 0.00 N ATOM 885 CA GLU A 60 13.109 0.204 6.232 1.00 0.00 C ATOM 886 C GLU A 60 13.532 1.426 5.422 1.00 0.00 C ATOM 887 O GLU A 60 14.575 2.026 5.682 1.00 0.00 O ATOM 888 CB GLU A 60 13.520 -1.075 5.499 1.00 0.00 C ATOM 889 CG GLU A 60 12.842 -1.248 4.151 1.00 0.00 C ATOM 890 CD GLU A 60 13.472 -2.347 3.318 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.718 -2.413 3.266 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.718 -3.142 2.718 1.00 0.00 O ATOM 0 H GLU A 60 11.171 -0.579 6.063 1.00 0.00 H new ATOM 0 HA GLU A 60 13.613 0.238 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.600 -1.070 5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.286 -1.935 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.787 -1.474 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.890 -0.308 3.601 1.00 0.00 H new ATOM 899 N SER A 61 12.714 1.788 4.438 1.00 0.00 N ATOM 900 CA SER A 61 13.005 2.935 3.586 1.00 0.00 C ATOM 901 C SER A 61 11.978 4.044 3.799 1.00 0.00 C ATOM 902 O SER A 61 12.328 5.221 3.888 1.00 0.00 O ATOM 903 CB SER A 61 13.020 2.514 2.115 1.00 0.00 C ATOM 904 OG SER A 61 14.287 1.998 1.746 1.00 0.00 O ATOM 0 H SER A 61 11.845 1.304 4.212 1.00 0.00 H new ATOM 0 HA SER A 61 13.989 3.317 3.857 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.252 1.760 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.775 3.370 1.486 1.00 0.00 H new ATOM 0 HG SER A 61 14.271 1.734 0.802 1.00 0.00 H new ATOM 910 N VAL A 62 10.709 3.658 3.880 1.00 0.00 N ATOM 911 CA VAL A 62 9.630 4.618 4.084 1.00 0.00 C ATOM 912 C VAL A 62 9.665 5.193 5.495 1.00 0.00 C ATOM 913 O VAL A 62 9.542 4.475 6.488 1.00 0.00 O ATOM 914 CB VAL A 62 8.252 3.974 3.838 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.140 4.891 4.324 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.076 3.643 2.364 1.00 0.00 C ATOM 0 H VAL A 62 10.403 2.688 3.808 1.00 0.00 H new ATOM 0 HA VAL A 62 9.781 5.422 3.364 1.00 0.00 H new ATOM 0 HB VAL A 62 8.197 3.045 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.174 4.420 4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.259 5.073 5.392 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.188 5.838 3.787 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.098 3.189 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.150 4.557 1.774 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.854 2.946 2.052 1.00 0.00 H new ATOM 926 N PRO A 63 9.837 6.520 5.590 1.00 0.00 N ATOM 927 CA PRO A 63 9.892 7.222 6.875 1.00 0.00 C ATOM 928 C PRO A 63 8.539 7.249 7.579 1.00 0.00 C ATOM 929 O PRO A 63 8.432 6.893 8.752 1.00 0.00 O ATOM 930 CB PRO A 63 10.322 8.639 6.488 1.00 0.00 C ATOM 931 CG PRO A 63 9.873 8.798 5.076 1.00 0.00 C ATOM 932 CD PRO A 63 9.992 7.437 4.448 1.00 0.00 C ATOM 0 HA PRO A 63 10.568 6.734 7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.861 9.384 7.136 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.401 8.764 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.846 9.160 5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.490 9.526 4.550 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.222 7.274 3.694 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.955 7.305 3.954 1.00 0.00 H new ATOM 940 N ASP A 64 7.510 7.673 6.855 1.00 0.00 N ATOM 941 CA ASP A 64 6.163 7.745 7.409 1.00 0.00 C ATOM 942 C ASP A 64 5.114 7.567 6.315 1.00 0.00 C ATOM 943 O ASP A 64 5.335 7.897 5.150 1.00 0.00 O ATOM 944 CB ASP A 64 5.952 9.082 8.122 1.00 0.00 C ATOM 945 CG ASP A 64 6.324 9.020 9.590 1.00 0.00 C ATOM 946 OD1 ASP A 64 5.914 8.053 10.265 1.00 0.00 O ATOM 947 OD2 ASP A 64 7.024 9.939 10.065 1.00 0.00 O ATOM 0 H ASP A 64 7.582 7.972 5.883 1.00 0.00 H new ATOM 0 HA ASP A 64 6.050 6.936 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.549 9.850 7.631 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.908 9.380 8.027 1.00 0.00 H new ATOM 952 N PRO A 65 3.946 7.031 6.697 1.00 0.00 N ATOM 953 CA PRO A 65 2.840 6.796 5.764 1.00 0.00 C ATOM 954 C PRO A 65 2.200 8.095 5.284 1.00 0.00 C ATOM 955 O PRO A 65 1.498 8.115 4.274 1.00 0.00 O ATOM 956 CB PRO A 65 1.843 5.983 6.593 1.00 0.00 C ATOM 957 CG PRO A 65 2.133 6.354 8.006 1.00 0.00 C ATOM 958 CD PRO A 65 3.613 6.614 8.070 1.00 0.00 C ATOM 0 HA PRO A 65 3.172 6.291 4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.815 6.224 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.973 4.913 6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.568 7.238 8.301 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.848 5.552 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.853 7.391 8.795 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.165 5.722 8.364 1.00 0.00 H new ATOM 966 N GLU A 66 2.448 9.177 6.016 1.00 0.00 N ATOM 967 CA GLU A 66 1.895 10.479 5.665 1.00 0.00 C ATOM 968 C GLU A 66 2.805 11.209 4.681 1.00 0.00 C ATOM 969 O GLU A 66 2.341 11.990 3.849 1.00 0.00 O ATOM 970 CB GLU A 66 1.696 11.330 6.921 1.00 0.00 C ATOM 971 CG GLU A 66 0.824 10.667 7.973 1.00 0.00 C ATOM 972 CD GLU A 66 0.051 11.670 8.807 1.00 0.00 C ATOM 973 OE1 GLU A 66 0.684 12.392 9.605 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.188 11.733 8.660 1.00 0.00 O ATOM 0 H GLU A 66 3.028 9.177 6.855 1.00 0.00 H new ATOM 0 HA GLU A 66 0.928 10.318 5.188 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.670 11.553 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.248 12.282 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.123 9.990 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.449 10.061 8.628 1.00 0.00 H new ATOM 981 N LEU A 67 4.104 10.951 4.783 1.00 0.00 N ATOM 982 CA LEU A 67 5.082 11.583 3.904 1.00 0.00 C ATOM 983 C LEU A 67 5.301 10.750 2.645 1.00 0.00 C ATOM 984 O LEU A 67 6.369 10.799 2.034 1.00 0.00 O ATOM 985 CB LEU A 67 6.409 11.775 4.639 1.00 0.00 C ATOM 986 CG LEU A 67 6.314 12.314 6.067 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.683 12.317 6.729 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.714 13.712 6.071 1.00 0.00 C ATOM 0 H LEU A 67 4.505 10.308 5.466 1.00 0.00 H new ATOM 0 HA LEU A 67 4.693 12.558 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.927 10.817 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.029 12.456 4.056 1.00 0.00 H new ATOM 0 HG LEU A 67 5.658 11.658 6.639 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.595 12.704 7.744 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.074 11.300 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.362 12.949 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.654 14.079 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.343 14.380 5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.714 13.680 5.638 1.00 0.00 H new ATOM 1000 N ILE A 68 4.283 9.987 2.262 1.00 0.00 N ATOM 1001 CA ILE A 68 4.363 9.146 1.074 1.00 0.00 C ATOM 1002 C ILE A 68 3.039 9.134 0.318 1.00 0.00 C ATOM 1003 O ILE A 68 2.030 9.644 0.805 1.00 0.00 O ATOM 1004 CB ILE A 68 4.749 7.699 1.434 1.00 0.00 C ATOM 1005 CG1 ILE A 68 3.719 7.096 2.391 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.140 7.660 2.049 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.579 6.394 1.688 1.00 0.00 C ATOM 0 H ILE A 68 3.393 9.934 2.757 1.00 0.00 H new ATOM 0 HA ILE A 68 5.138 9.573 0.437 1.00 0.00 H new ATOM 0 HB ILE A 68 4.760 7.103 0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.219 6.387 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.314 7.887 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.399 6.631 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.864 8.054 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.155 8.267 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.888 5.991 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.053 7.104 1.049 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.973 5.580 1.079 1.00 0.00 H new ATOM 1019 N ASP A 69 3.049 8.547 -0.873 1.00 0.00 N ATOM 1020 CA ASP A 69 1.848 8.465 -1.696 1.00 0.00 C ATOM 1021 C ASP A 69 1.771 7.121 -2.414 1.00 0.00 C ATOM 1022 O ASP A 69 2.724 6.341 -2.396 1.00 0.00 O ATOM 1023 CB ASP A 69 1.825 9.604 -2.717 1.00 0.00 C ATOM 1024 CG ASP A 69 1.343 10.910 -2.116 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.152 10.990 -1.750 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.156 11.852 -2.013 1.00 0.00 O ATOM 0 H ASP A 69 3.876 8.120 -1.291 1.00 0.00 H new ATOM 0 HA ASP A 69 0.982 8.557 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.826 9.743 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.177 9.329 -3.549 1.00 0.00 H new ATOM 1031 N LEU A 70 0.632 6.857 -3.043 1.00 0.00 N ATOM 1032 CA LEU A 70 0.430 5.606 -3.766 1.00 0.00 C ATOM 1033 C LEU A 70 0.230 5.865 -5.256 1.00 0.00 C ATOM 1034 O LEU A 70 -0.543 6.740 -5.646 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.778 4.857 -3.201 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.841 3.359 -3.504 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.420 2.663 -3.017 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -2.076 2.738 -2.868 1.00 0.00 C ATOM 0 H LEU A 70 -0.166 7.492 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 70 1.322 4.993 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.789 4.989 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.684 5.324 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.909 3.228 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.357 1.598 -3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.288 3.089 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.520 2.802 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.105 1.672 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.039 2.879 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.970 3.217 -3.266 1.00 0.00 H new ATOM 1050 N ILE A 71 0.931 5.097 -6.084 1.00 0.00 N ATOM 1051 CA ILE A 71 0.828 5.241 -7.530 1.00 0.00 C ATOM 1052 C ILE A 71 0.401 3.931 -8.184 1.00 0.00 C ATOM 1053 O ILE A 71 0.991 2.879 -7.934 1.00 0.00 O ATOM 1054 CB ILE A 71 2.163 5.699 -8.147 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.673 6.955 -7.438 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.997 5.956 -9.637 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.717 8.125 -7.519 1.00 0.00 C ATOM 0 H ILE A 71 1.576 4.369 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 71 0.071 6.002 -7.718 1.00 0.00 H new ATOM 0 HB ILE A 71 2.899 4.906 -8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.859 6.720 -6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.629 7.246 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.949 6.279 -10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.674 5.039 -10.131 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.249 6.734 -9.791 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.144 8.980 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.549 8.386 -8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.768 7.852 -7.056 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.625 4.002 -9.024 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.132 2.822 -9.714 1.00 0.00 C ATOM 1071 C TYR A 72 -1.566 3.166 -11.136 1.00 0.00 C ATOM 1072 O TYR A 72 -2.150 4.223 -11.379 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.306 2.218 -8.942 1.00 0.00 C ATOM 1074 CG TYR A 72 -2.901 0.996 -9.604 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -3.808 1.119 -10.649 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.555 -0.283 -9.184 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.355 0.005 -11.255 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.096 -1.403 -9.786 1.00 0.00 C ATOM 1079 CZ TYR A 72 -3.996 -1.254 -10.821 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.537 -2.366 -11.423 1.00 0.00 O ATOM 0 H TYR A 72 -1.122 4.865 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.326 2.090 -9.767 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.972 1.951 -7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.083 2.974 -8.829 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.090 2.103 -10.994 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.851 -0.403 -8.373 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.060 0.119 -12.065 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.816 -2.390 -9.448 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.811 -3.009 -10.736 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.278 2.267 -12.070 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.638 2.474 -13.468 1.00 0.00 C ATOM 1092 C CYS A 73 -1.073 3.794 -13.985 1.00 0.00 C ATOM 1093 O CYS A 73 -1.721 4.497 -14.759 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.158 2.457 -13.632 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.713 2.198 -15.334 1.00 0.00 S ATOM 0 H CYS A 73 -0.796 1.387 -11.885 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.208 1.661 -14.053 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.572 1.670 -13.002 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.563 3.402 -13.269 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.012 2.197 -15.371 1.00 0.00 H new ATOM 1101 N GLY A 74 0.139 4.124 -13.549 1.00 0.00 N ATOM 1102 CA GLY A 74 0.769 5.359 -13.977 1.00 0.00 C ATOM 1103 C GLY A 74 0.000 6.587 -13.532 1.00 0.00 C ATOM 1104 O GLY A 74 -0.003 7.609 -14.219 1.00 0.00 O ATOM 0 H GLY A 74 0.695 3.559 -12.908 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.782 5.404 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.855 5.362 -15.064 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.654 6.488 -12.379 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.433 7.599 -11.845 1.00 0.00 C ATOM 1110 C ARG A 75 -1.621 7.455 -10.337 1.00 0.00 C ATOM 1111 O ARG A 75 -1.935 6.373 -9.840 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.796 7.673 -12.535 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.727 6.530 -12.168 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.134 6.766 -12.696 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.269 6.367 -14.094 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.197 6.852 -14.911 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.068 7.750 -14.471 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -6.256 6.439 -16.170 1.00 0.00 N ATOM 0 H ARG A 75 -0.660 5.650 -11.797 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.885 8.521 -12.040 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.274 8.618 -12.276 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.647 7.677 -13.615 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.337 5.597 -12.574 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.758 6.418 -11.084 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.847 6.208 -12.089 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.387 7.821 -12.594 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.614 5.678 -14.464 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.026 8.070 -13.503 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.780 8.121 -15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.588 5.748 -16.512 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.969 6.812 -16.796 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.427 8.553 -9.614 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.577 8.550 -8.164 1.00 0.00 C ATOM 1134 C LYS A 76 -3.040 8.382 -7.768 1.00 0.00 C ATOM 1135 O LYS A 76 -3.941 8.837 -8.473 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.023 9.848 -7.572 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.321 10.018 -6.092 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.228 10.805 -5.389 1.00 0.00 C ATOM 1139 CE LYS A 76 -0.092 12.206 -5.966 1.00 0.00 C ATOM 1140 NZ LYS A 76 -0.956 13.187 -5.251 1.00 0.00 N ATOM 0 H LYS A 76 -1.166 9.456 -10.009 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.013 7.706 -7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.056 9.874 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.441 10.694 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.275 10.530 -5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.422 9.038 -5.626 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.452 10.869 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.721 10.277 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.948 12.525 -5.903 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.358 12.191 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.835 14.129 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.951 12.897 -5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.686 13.221 -4.247 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.270 7.728 -6.635 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.624 7.501 -6.143 1.00 0.00 C ATOM 1156 C LEU A 77 -4.892 8.321 -4.886 1.00 0.00 C ATOM 1157 O LEU A 77 -4.134 8.259 -3.917 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.840 6.015 -5.852 1.00 0.00 C ATOM 1159 CG LEU A 77 -4.222 5.038 -6.854 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -4.270 3.617 -6.313 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.938 5.125 -8.194 1.00 0.00 C ATOM 0 H LEU A 77 -2.536 7.345 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.323 7.819 -6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.435 5.796 -4.864 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.913 5.827 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.178 5.313 -7.004 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.826 2.936 -7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.712 3.565 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.306 3.331 -6.134 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.485 4.423 -8.895 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.991 4.876 -8.061 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.851 6.138 -8.588 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.976 9.089 -4.906 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.347 9.920 -3.767 1.00 0.00 C ATOM 1175 C LYS A 78 -6.619 9.063 -2.534 1.00 0.00 C ATOM 1176 O LYS A 78 -6.614 7.834 -2.608 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.584 10.757 -4.101 1.00 0.00 C ATOM 1178 CG LYS A 78 -8.807 9.925 -4.447 1.00 0.00 C ATOM 1179 CD LYS A 78 -10.088 10.727 -4.295 1.00 0.00 C ATOM 1180 CE LYS A 78 -10.506 11.365 -5.611 1.00 0.00 C ATOM 1181 NZ LYS A 78 -11.243 12.642 -5.399 1.00 0.00 N ATOM 0 H LYS A 78 -6.614 9.153 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.513 10.586 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.819 11.397 -3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.352 11.413 -4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.723 9.562 -5.471 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.847 9.048 -3.800 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.885 10.076 -3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.946 11.503 -3.542 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.622 11.553 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.135 10.671 -6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.510 13.045 -6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.100 12.459 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.634 13.314 -4.890 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.857 9.719 -1.404 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.133 9.017 -0.156 1.00 0.00 C ATOM 1197 C ASP A 79 -8.629 9.009 0.143 1.00 0.00 C ATOM 1198 O ASP A 79 -9.047 8.699 1.259 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.373 9.669 1.000 1.00 0.00 C ATOM 1200 CG ASP A 79 -4.872 9.492 0.879 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -4.367 8.421 1.276 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -4.202 10.424 0.387 1.00 0.00 O ATOM 0 H ASP A 79 -6.864 10.736 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.797 7.986 -0.266 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.609 10.733 1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.712 9.239 1.942 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.429 9.353 -0.860 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.879 9.385 -0.704 1.00 0.00 C ATOM 1209 C ASP A 80 -11.546 8.359 -1.614 1.00 0.00 C ATOM 1210 O ASP A 80 -12.744 8.103 -1.502 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.415 10.784 -1.013 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.930 10.832 -1.032 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.551 10.364 -0.054 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -13.495 11.339 -2.023 1.00 0.00 O ATOM 0 H ASP A 80 -9.099 9.613 -1.789 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.115 9.134 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.041 11.486 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.032 11.112 -1.979 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.762 7.775 -2.515 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.278 6.778 -3.445 1.00 0.00 C ATOM 1221 C GLN A 81 -11.207 5.380 -2.839 1.00 0.00 C ATOM 1222 O GLN A 81 -10.792 5.209 -1.692 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.492 6.818 -4.756 1.00 0.00 C ATOM 1224 CG GLN A 81 -11.073 7.775 -5.785 1.00 0.00 C ATOM 1225 CD GLN A 81 -12.578 7.650 -5.913 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -13.151 6.597 -5.633 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -13.228 8.727 -6.338 1.00 0.00 N ATOM 0 H GLN A 81 -9.767 7.975 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.323 7.014 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.463 7.107 -4.544 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.461 5.815 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.819 8.798 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.613 7.584 -6.754 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.713 9.579 -6.559 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.242 8.702 -6.444 1.00 0.00 H new ATOM 1236 N THR A 82 -11.616 4.382 -3.616 1.00 0.00 N ATOM 1237 CA THR A 82 -11.600 2.999 -3.155 1.00 0.00 C ATOM 1238 C THR A 82 -10.891 2.094 -4.156 1.00 0.00 C ATOM 1239 O THR A 82 -10.675 2.474 -5.308 1.00 0.00 O ATOM 1240 CB THR A 82 -13.028 2.469 -2.923 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.806 2.619 -4.115 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.700 3.208 -1.775 1.00 0.00 C ATOM 0 H THR A 82 -11.962 4.506 -4.567 1.00 0.00 H new ATOM 0 HA THR A 82 -11.057 2.986 -2.210 1.00 0.00 H new ATOM 0 HB THR A 82 -12.962 1.412 -2.664 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.712 2.278 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.707 2.817 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.121 3.066 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.754 4.271 -2.009 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.530 0.896 -3.711 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.845 -0.065 -4.568 1.00 0.00 C ATOM 1252 C LEU A 83 -10.654 -0.342 -5.831 1.00 0.00 C ATOM 1253 O LEU A 83 -10.095 -0.511 -6.914 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.598 -1.370 -3.810 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.401 -1.377 -2.858 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.114 -1.647 -3.621 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.311 -0.058 -2.105 1.00 0.00 C ATOM 0 H LEU A 83 -10.700 0.567 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.887 0.365 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.494 -1.609 -3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.462 -2.170 -4.538 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.543 -2.177 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.273 -1.648 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.180 -2.617 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.965 -0.869 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.454 -0.081 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.193 0.760 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.222 0.094 -1.526 1.00 0.00 H new ATOM 1269 N ASP A 84 -11.974 -0.385 -5.683 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.861 -0.639 -6.813 1.00 0.00 C ATOM 1271 C ASP A 84 -12.896 0.560 -7.756 1.00 0.00 C ATOM 1272 O ASP A 84 -12.706 0.417 -8.964 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.274 -0.955 -6.318 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.103 -1.679 -7.359 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -14.633 -2.712 -7.880 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.224 -1.214 -7.653 1.00 0.00 O ATOM 0 H ASP A 84 -12.453 -0.247 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.475 -1.499 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.212 -1.566 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.774 -0.027 -6.040 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.141 1.740 -7.196 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.202 2.963 -7.988 1.00 0.00 C ATOM 1283 C PHE A 85 -12.218 2.908 -9.152 1.00 0.00 C ATOM 1284 O PHE A 85 -12.603 3.054 -10.313 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.903 4.180 -7.110 1.00 0.00 C ATOM 1286 CG PHE A 85 -12.626 5.431 -7.893 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -13.660 6.278 -8.258 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -11.332 5.759 -8.264 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.408 7.431 -8.979 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -11.075 6.910 -8.985 1.00 0.00 C ATOM 1291 CZ PHE A 85 -12.114 7.747 -9.343 1.00 0.00 C ATOM 0 H PHE A 85 -13.300 1.875 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.210 3.054 -8.392 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.750 4.356 -6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.043 3.959 -6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -14.674 6.035 -7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.516 5.109 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.222 8.084 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -10.062 7.155 -9.268 1.00 0.00 H new ATOM 0 HZ PHE A 85 -11.915 8.647 -9.906 1.00 0.00 H new ATOM 1301 N TYR A 86 -10.946 2.697 -8.834 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.904 2.625 -9.852 1.00 0.00 C ATOM 1303 C TYR A 86 -9.938 1.280 -10.571 1.00 0.00 C ATOM 1304 O TYR A 86 -9.596 1.185 -11.749 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.529 2.845 -9.221 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.243 4.289 -8.878 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.049 5.235 -9.876 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.169 4.708 -7.555 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.787 6.556 -9.568 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.909 6.027 -7.237 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.718 6.947 -8.247 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.459 8.262 -7.935 1.00 0.00 O ATOM 0 H TYR A 86 -10.611 2.573 -7.879 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.090 3.412 -10.583 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.454 2.244 -8.315 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.762 2.485 -9.907 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.104 4.933 -10.911 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.317 3.990 -6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.637 7.278 -10.357 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.856 6.336 -6.204 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.206 8.629 -7.417 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.353 0.242 -9.852 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.425 -1.085 -10.437 1.00 0.00 C ATOM 1324 C GLY A 87 -9.199 -1.921 -10.129 1.00 0.00 C ATOM 1325 O GLY A 87 -8.730 -2.682 -10.975 1.00 0.00 O ATOM 0 H GLY A 87 -10.641 0.296 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.313 -1.596 -10.064 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.539 -0.997 -11.517 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.677 -1.779 -8.915 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.498 -2.527 -8.498 1.00 0.00 C ATOM 1331 C ILE A 88 -7.871 -3.934 -8.046 1.00 0.00 C ATOM 1332 O ILE A 88 -8.812 -4.119 -7.274 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.753 -1.813 -7.355 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.157 -0.494 -7.850 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.665 -2.713 -6.788 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.060 0.567 -6.776 1.00 0.00 C ATOM 0 H ILE A 88 -9.052 -1.152 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.841 -2.589 -9.366 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.465 -1.592 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.162 -0.683 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.767 -0.114 -8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.147 -2.194 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.114 -3.628 -6.402 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.953 -2.963 -7.574 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.629 1.474 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.055 0.785 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.426 0.207 -5.966 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.127 -4.923 -8.531 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.380 -6.314 -8.175 1.00 0.00 C ATOM 1350 C GLN A 89 -6.239 -6.877 -7.333 1.00 0.00 C ATOM 1351 O GLN A 89 -5.102 -6.409 -7.393 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.564 -7.160 -9.436 1.00 0.00 C ATOM 1353 CG GLN A 89 -6.479 -6.944 -10.478 1.00 0.00 C ATOM 1354 CD GLN A 89 -6.659 -5.651 -11.248 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -5.724 -4.862 -11.387 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -7.866 -5.426 -11.755 1.00 0.00 N ATOM 0 H GLN A 89 -6.345 -4.787 -9.171 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.295 -6.351 -7.585 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.583 -8.213 -9.157 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.533 -6.930 -9.879 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.506 -6.938 -9.988 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.479 -7.781 -11.176 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.613 -6.107 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.046 -4.572 -12.283 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.548 -7.905 -6.529 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.562 -8.554 -5.660 1.00 0.00 C ATOM 1367 C PRO A 90 -4.530 -9.353 -6.449 1.00 0.00 C ATOM 1368 O PRO A 90 -4.628 -10.575 -6.559 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.412 -9.486 -4.793 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.624 -9.764 -5.613 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.883 -8.514 -6.407 1.00 0.00 C ATOM 0 HA PRO A 90 -4.983 -7.829 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.875 -10.405 -4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.674 -9.016 -3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.462 -10.618 -6.271 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.477 -10.007 -4.979 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.312 -8.740 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.582 -7.851 -5.897 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.540 -8.655 -6.997 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.505 -9.317 -7.769 1.00 0.00 C ATOM 1381 C GLY A 91 -1.616 -8.336 -8.509 1.00 0.00 C ATOM 1382 O GLY A 91 -0.469 -8.646 -8.828 1.00 0.00 O ATOM 0 H GLY A 91 -3.436 -7.643 -6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.893 -9.926 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.968 -9.995 -8.486 1.00 0.00 H new ATOM 1386 N SER A 92 -2.148 -7.149 -8.783 1.00 0.00 N ATOM 1387 CA SER A 92 -1.398 -6.121 -9.495 1.00 0.00 C ATOM 1388 C SER A 92 -0.208 -5.646 -8.667 1.00 0.00 C ATOM 1389 O SER A 92 0.070 -6.180 -7.592 1.00 0.00 O ATOM 1390 CB SER A 92 -2.306 -4.936 -9.829 1.00 0.00 C ATOM 1391 OG SER A 92 -2.926 -5.110 -11.092 1.00 0.00 O ATOM 0 H SER A 92 -3.096 -6.876 -8.523 1.00 0.00 H new ATOM 0 HA SER A 92 -1.024 -6.556 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.068 -4.829 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.722 -4.015 -9.830 1.00 0.00 H new ATOM 0 HG SER A 92 -3.892 -4.973 -11.004 1.00 0.00 H new ATOM 1397 N THR A 93 0.494 -4.637 -9.175 1.00 0.00 N ATOM 1398 CA THR A 93 1.655 -4.090 -8.484 1.00 0.00 C ATOM 1399 C THR A 93 1.591 -2.568 -8.423 1.00 0.00 C ATOM 1400 O THR A 93 1.585 -1.895 -9.454 1.00 0.00 O ATOM 1401 CB THR A 93 2.967 -4.510 -9.172 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.884 -5.876 -9.594 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.151 -4.336 -8.233 1.00 0.00 C ATOM 0 H THR A 93 0.278 -4.183 -10.062 1.00 0.00 H new ATOM 0 HA THR A 93 1.639 -4.493 -7.471 1.00 0.00 H new ATOM 0 HB THR A 93 3.116 -3.870 -10.041 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.722 -6.135 -10.032 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.066 -4.639 -8.741 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.230 -3.290 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 93 4.007 -4.954 -7.347 1.00 0.00 H new ATOM 1411 N VAL A 94 1.545 -2.030 -7.209 1.00 0.00 N ATOM 1412 CA VAL A 94 1.484 -0.587 -7.013 1.00 0.00 C ATOM 1413 C VAL A 94 2.853 -0.023 -6.650 1.00 0.00 C ATOM 1414 O VAL A 94 3.636 -0.666 -5.950 1.00 0.00 O ATOM 1415 CB VAL A 94 0.477 -0.212 -5.910 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.883 -0.831 -6.195 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.995 -0.646 -4.547 1.00 0.00 C ATOM 0 H VAL A 94 1.549 -2.573 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 94 1.155 -0.153 -7.957 1.00 0.00 H new ATOM 0 HB VAL A 94 0.361 0.872 -5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.581 -0.555 -5.405 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.255 -0.466 -7.152 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.788 -1.916 -6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.271 -0.373 -3.779 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.141 -1.726 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.944 -0.150 -4.344 1.00 0.00 H new ATOM 1427 N HIS A 95 3.136 1.184 -7.129 1.00 0.00 N ATOM 1428 CA HIS A 95 4.411 1.836 -6.854 1.00 0.00 C ATOM 1429 C HIS A 95 4.257 2.893 -5.764 1.00 0.00 C ATOM 1430 O HIS A 95 3.215 3.541 -5.657 1.00 0.00 O ATOM 1431 CB HIS A 95 4.966 2.477 -8.126 1.00 0.00 C ATOM 1432 CG HIS A 95 5.311 1.485 -9.194 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.555 0.898 -9.304 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.567 0.975 -10.203 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.561 0.073 -10.335 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.366 0.100 -10.897 1.00 0.00 N ATOM 0 H HIS A 95 2.500 1.730 -7.709 1.00 0.00 H new ATOM 0 HA HIS A 95 5.110 1.077 -6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.232 3.181 -8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.857 3.052 -7.874 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.536 1.212 -10.422 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.400 -0.522 -10.663 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.083 -0.441 -11.714 1.00 0.00 H new ATOM 1445 N VAL A 96 5.300 3.062 -4.958 1.00 0.00 N ATOM 1446 CA VAL A 96 5.280 4.040 -3.877 1.00 0.00 C ATOM 1447 C VAL A 96 6.272 5.168 -4.138 1.00 0.00 C ATOM 1448 O VAL A 96 7.408 4.928 -4.550 1.00 0.00 O ATOM 1449 CB VAL A 96 5.610 3.386 -2.522 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.869 4.448 -1.464 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.484 2.457 -2.091 1.00 0.00 C ATOM 0 H VAL A 96 6.170 2.534 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 96 4.270 4.449 -3.839 1.00 0.00 H new ATOM 0 HB VAL A 96 6.517 2.793 -2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.100 3.966 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.711 5.069 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.982 5.071 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.734 2.003 -1.132 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.560 3.026 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.351 1.675 -2.839 1.00 0.00 H new ATOM 1461 N LEU A 97 5.835 6.399 -3.896 1.00 0.00 N ATOM 1462 CA LEU A 97 6.685 7.567 -4.105 1.00 0.00 C ATOM 1463 C LEU A 97 6.715 8.448 -2.860 1.00 0.00 C ATOM 1464 O LEU A 97 5.678 8.926 -2.401 1.00 0.00 O ATOM 1465 CB LEU A 97 6.188 8.376 -5.304 1.00 0.00 C ATOM 1466 CG LEU A 97 7.213 9.299 -5.963 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.526 10.481 -5.059 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.484 8.531 -6.299 1.00 0.00 C ATOM 0 H LEU A 97 4.898 6.615 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 97 7.698 7.218 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.818 7.681 -6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.339 8.980 -4.983 1.00 0.00 H new ATOM 0 HG LEU A 97 6.786 9.680 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.257 11.127 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.613 11.045 -4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.932 10.119 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.202 9.204 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.913 8.121 -5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.247 7.718 -6.985 1.00 0.00 H new ATOM 1480 N ARG A 98 7.911 8.659 -2.321 1.00 0.00 N ATOM 1481 CA ARG A 98 8.077 9.484 -1.130 1.00 0.00 C ATOM 1482 C ARG A 98 7.815 10.954 -1.445 1.00 0.00 C ATOM 1483 O ARG A 98 8.479 11.546 -2.295 1.00 0.00 O ATOM 1484 CB ARG A 98 9.487 9.317 -0.560 1.00 0.00 C ATOM 1485 CG ARG A 98 9.662 8.060 0.275 1.00 0.00 C ATOM 1486 CD ARG A 98 9.701 6.813 -0.595 1.00 0.00 C ATOM 1487 NE ARG A 98 11.035 6.565 -1.135 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.070 6.188 -0.392 1.00 0.00 C ATOM 1489 NH1 ARG A 98 11.925 6.017 0.915 1.00 0.00 N ATOM 1490 NH2 ARG A 98 13.253 5.981 -0.956 1.00 0.00 N ATOM 0 H ARG A 98 8.779 8.270 -2.690 1.00 0.00 H new ATOM 0 HA ARG A 98 7.351 9.155 -0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.202 9.299 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.727 10.186 0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.584 8.131 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.843 7.980 0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.381 5.952 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.992 6.921 -1.416 1.00 0.00 H new ATOM 0 HE ARG A 98 11.180 6.688 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.017 6.175 1.352 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.721 5.728 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.369 6.111 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.047 5.692 -0.385 1.00 0.00 H new