USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 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 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 14 HIS :FLIP no HD1:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -107:sc= -1.17 (180deg=-3.28!) USER MOD Single : A 22 GLN :FLIP amide:sc= -0.013 F(o=-0.66,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.113 (180deg=-0.869) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 45 TYR OH : rot -107:sc= 1.28 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0.966 (180deg=0.512) USER MOD Single : A 52 GLN : amide:sc= -0.0649 K(o=-0.065,f=-0.9) USER MOD Single : A 57 LYS NZ :NH3+ 147:sc= -0.43 (180deg=-1.22) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 130:sc= 0.274 USER MOD Single : A 73 CYS SG : rot 99:sc= 1 USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0058) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.59) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0172 USER MOD Single : A 86 TYR OH : rot 120:sc= -0.657 USER MOD Single : A 89 GLN : amide:sc= -0.272 K(o=-0.27,f=-1.9) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -1.02 X(o=-1,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.381 -12.408 0.162 1.00 0.00 N ATOM 137 CA TRP A 13 -6.128 -11.265 -0.707 1.00 0.00 C ATOM 138 C TRP A 13 -4.720 -10.720 -0.494 1.00 0.00 C ATOM 139 O TRP A 13 -4.352 -10.341 0.619 1.00 0.00 O ATOM 140 CB TRP A 13 -7.159 -10.164 -0.449 1.00 0.00 C ATOM 141 CG TRP A 13 -6.936 -8.936 -1.279 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.904 -8.048 -1.169 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.766 -8.459 -2.344 1.00 0.00 C ATOM 144 NE1 TRP A 13 -6.042 -7.048 -2.101 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.175 -7.278 -2.835 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.948 -8.916 -2.933 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.730 -6.550 -3.885 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.497 -8.193 -3.974 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.888 -7.021 -4.442 1.00 0.00 C ATOM 0 HA TRP A 13 -6.215 -11.600 -1.741 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.156 -10.555 -0.652 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.132 -9.891 0.606 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.098 -8.121 -0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.404 -6.262 -2.226 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.424 -9.819 -2.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.263 -5.646 -4.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.411 -8.537 -4.435 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.341 -6.479 -5.258 1.00 0.00 H new ATOM 160 N HIS A 14 -3.936 -10.683 -1.567 1.00 0.00 N ATOM 161 CA HIS A 14 -2.567 -10.183 -1.496 1.00 0.00 C ATOM 162 C HIS A 14 -2.299 -9.174 -2.609 1.00 0.00 C ATOM 163 O HIS A 14 -3.058 -9.084 -3.575 1.00 0.00 O ATOM 164 CB HIS A 14 -1.573 -11.341 -1.591 1.00 0.00 C ATOM 165 CG HIS A 14 -1.228 -11.720 -2.998 1.00 0.00 C ATOM 166 ND1 HIS A 14 -0.129 -11.454 -3.742 1.00 0.00 N flip ATOM 167 CD2 HIS A 14 -2.065 -12.462 -3.805 1.00 0.00 C flip ATOM 168 CE1 HIS A 14 -0.320 -12.035 -4.972 1.00 0.00 C flip ATOM 169 NE2 HIS A 14 -1.495 -12.637 -4.983 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.225 -10.993 -2.495 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.439 -9.682 -0.537 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.659 -11.069 -1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.990 -12.210 -1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.035 -12.841 -3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.378 -12.004 -5.796 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -1.895 -13.150 -5.769 1.00 0.00 H new ATOM 178 N LEU A 15 -1.217 -8.417 -2.467 1.00 0.00 N ATOM 179 CA LEU A 15 -0.849 -7.414 -3.460 1.00 0.00 C ATOM 180 C LEU A 15 0.666 -7.249 -3.531 1.00 0.00 C ATOM 181 O LEU A 15 1.386 -7.628 -2.608 1.00 0.00 O ATOM 182 CB LEU A 15 -1.505 -6.073 -3.127 1.00 0.00 C ATOM 183 CG LEU A 15 -1.688 -5.106 -4.297 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.738 -5.632 -5.264 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.071 -3.723 -3.791 1.00 0.00 C ATOM 0 H LEU A 15 -0.579 -8.479 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.205 -7.753 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.483 -6.269 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.906 -5.578 -2.363 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.740 -5.026 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.855 -4.931 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.423 -6.601 -5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.689 -5.742 -4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.197 -3.048 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.006 -3.785 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.285 -3.344 -3.138 1.00 0.00 H new ATOM 197 N ALA A 16 1.142 -6.678 -4.633 1.00 0.00 N ATOM 198 CA ALA A 16 2.571 -6.458 -4.823 1.00 0.00 C ATOM 199 C ALA A 16 2.944 -5.005 -4.549 1.00 0.00 C ATOM 200 O ALA A 16 2.124 -4.101 -4.716 1.00 0.00 O ATOM 201 CB ALA A 16 2.983 -6.854 -6.233 1.00 0.00 C ATOM 0 H ALA A 16 0.559 -6.360 -5.407 1.00 0.00 H new ATOM 0 HA ALA A 16 3.108 -7.084 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.052 -6.685 -6.361 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.761 -7.909 -6.394 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.431 -6.253 -6.956 1.00 0.00 H new ATOM 207 N VAL A 17 4.185 -4.787 -4.127 1.00 0.00 N ATOM 208 CA VAL A 17 4.667 -3.443 -3.831 1.00 0.00 C ATOM 209 C VAL A 17 6.050 -3.211 -4.428 1.00 0.00 C ATOM 210 O VAL A 17 6.945 -4.044 -4.293 1.00 0.00 O ATOM 211 CB VAL A 17 4.726 -3.191 -2.313 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.322 -1.822 -2.022 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.342 -3.321 -1.696 1.00 0.00 C ATOM 0 H VAL A 17 4.875 -5.524 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 17 3.960 -2.746 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 17 5.371 -3.945 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.356 -1.661 -0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.332 -1.771 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.706 -1.051 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.404 -3.140 -0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.671 -2.591 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.958 -4.326 -1.873 1.00 0.00 H new ATOM 223 N LYS A 18 6.218 -2.071 -5.091 1.00 0.00 N ATOM 224 CA LYS A 18 7.493 -1.726 -5.709 1.00 0.00 C ATOM 225 C LYS A 18 7.929 -0.321 -5.308 1.00 0.00 C ATOM 226 O LYS A 18 7.157 0.633 -5.410 1.00 0.00 O ATOM 227 CB LYS A 18 7.387 -1.823 -7.233 1.00 0.00 C ATOM 228 CG LYS A 18 7.617 -3.224 -7.771 1.00 0.00 C ATOM 229 CD LYS A 18 9.084 -3.615 -7.698 1.00 0.00 C ATOM 230 CE LYS A 18 9.973 -2.566 -8.347 1.00 0.00 C ATOM 231 NZ LYS A 18 10.415 -1.532 -7.370 1.00 0.00 N ATOM 0 H LYS A 18 5.487 -1.371 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 18 8.243 -2.435 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.399 -1.482 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.113 -1.146 -7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.021 -3.936 -7.201 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.276 -3.278 -8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.375 -3.746 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.231 -4.575 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.847 -3.050 -8.784 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.433 -2.087 -9.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.908 -0.643 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.208 -1.856 -6.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.438 -1.374 -7.470 1.00 0.00 H new ATOM 245 N LEU A 19 9.171 -0.200 -4.851 1.00 0.00 N ATOM 246 CA LEU A 19 9.711 1.090 -4.436 1.00 0.00 C ATOM 247 C LEU A 19 10.090 1.937 -5.646 1.00 0.00 C ATOM 248 O LEU A 19 11.055 1.637 -6.348 1.00 0.00 O ATOM 249 CB LEU A 19 10.932 0.888 -3.537 1.00 0.00 C ATOM 250 CG LEU A 19 11.204 1.993 -2.516 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.125 2.007 -1.445 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.579 1.812 -1.888 1.00 0.00 C ATOM 0 H LEU A 19 9.823 -0.979 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 19 8.938 1.616 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.811 -0.053 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.812 0.783 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 19 11.186 2.952 -3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.335 2.800 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.155 2.185 -1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.111 1.046 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.756 2.607 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.625 0.846 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.342 1.853 -2.665 1.00 0.00 H new ATOM 264 N ALA A 20 9.325 2.997 -5.883 1.00 0.00 N ATOM 265 CA ALA A 20 9.583 3.891 -7.006 1.00 0.00 C ATOM 266 C ALA A 20 10.955 4.544 -6.883 1.00 0.00 C ATOM 267 O ALA A 20 11.633 4.781 -7.884 1.00 0.00 O ATOM 268 CB ALA A 20 8.497 4.952 -7.096 1.00 0.00 C ATOM 0 H ALA A 20 8.521 3.258 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 20 9.573 3.298 -7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.702 5.612 -7.939 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.529 4.471 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.480 5.534 -6.175 1.00 0.00 H new ATOM 274 N ASP A 21 11.359 4.834 -5.651 1.00 0.00 N ATOM 275 CA ASP A 21 12.652 5.460 -5.398 1.00 0.00 C ATOM 276 C ASP A 21 13.794 4.522 -5.777 1.00 0.00 C ATOM 277 O ASP A 21 14.857 4.967 -6.207 1.00 0.00 O ATOM 278 CB ASP A 21 12.769 5.859 -3.926 1.00 0.00 C ATOM 279 CG ASP A 21 14.147 6.387 -3.578 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.538 7.435 -4.132 1.00 0.00 O ATOM 281 OD2 ASP A 21 14.835 5.752 -2.751 1.00 0.00 O ATOM 0 H ASP A 21 10.810 4.646 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 21 12.722 6.355 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.023 6.620 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.545 4.996 -3.299 1.00 0.00 H new ATOM 286 N GLN A 22 13.565 3.223 -5.613 1.00 0.00 N ATOM 287 CA GLN A 22 14.576 2.223 -5.936 1.00 0.00 C ATOM 288 C GLN A 22 14.005 1.151 -6.858 1.00 0.00 C ATOM 289 O GLN A 22 13.426 0.160 -6.414 1.00 0.00 O ATOM 290 CB GLN A 22 15.113 1.579 -4.657 1.00 0.00 C ATOM 291 CG GLN A 22 15.417 2.579 -3.553 1.00 0.00 C ATOM 292 CD GLN A 22 16.249 1.981 -2.436 1.00 0.00 C ATOM 293 OE1 GLN A 22 15.719 2.017 -1.219 1.00 0.00 O flip ATOM 294 NE2 GLN A 22 17.355 1.491 -2.664 1.00 0.00 N flip ATOM 0 H GLN A 22 12.689 2.839 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 22 15.394 2.724 -6.454 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.384 0.856 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 22 16.021 1.024 -4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.945 3.433 -3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.481 2.956 -3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.724 1.485 -3.615 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.903 1.091 -1.902 1.00 0.00 H new ATOM 303 N PRO A 23 14.171 1.352 -8.174 1.00 0.00 N ATOM 304 CA PRO A 23 13.680 0.413 -9.187 1.00 0.00 C ATOM 305 C PRO A 23 14.460 -0.897 -9.189 1.00 0.00 C ATOM 306 O PRO A 23 14.105 -1.841 -9.897 1.00 0.00 O ATOM 307 CB PRO A 23 13.895 1.166 -10.502 1.00 0.00 C ATOM 308 CG PRO A 23 15.005 2.118 -10.217 1.00 0.00 C ATOM 309 CD PRO A 23 14.852 2.512 -8.774 1.00 0.00 C ATOM 0 HA PRO A 23 12.644 0.126 -9.009 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.157 0.484 -11.311 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.991 1.692 -10.809 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.974 1.652 -10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.948 2.990 -10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.818 2.699 -8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.264 3.423 -8.666 1.00 0.00 H new ATOM 317 N LEU A 24 15.523 -0.949 -8.394 1.00 0.00 N ATOM 318 CA LEU A 24 16.353 -2.145 -8.304 1.00 0.00 C ATOM 319 C LEU A 24 15.939 -3.007 -7.116 1.00 0.00 C ATOM 320 O LEU A 24 16.120 -4.225 -7.128 1.00 0.00 O ATOM 321 CB LEU A 24 17.828 -1.757 -8.178 1.00 0.00 C ATOM 322 CG LEU A 24 18.362 -0.796 -9.239 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.532 0.007 -8.692 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.775 -1.558 -10.490 1.00 0.00 C ATOM 0 H LEU A 24 15.830 -0.177 -7.803 1.00 0.00 H new ATOM 0 HA LEU A 24 16.212 -2.725 -9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.982 -1.306 -7.198 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.426 -2.668 -8.207 1.00 0.00 H new ATOM 0 HG LEU A 24 17.565 -0.102 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.899 0.686 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.205 0.583 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.332 -0.671 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.153 -0.857 -11.235 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.556 -2.276 -10.238 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.913 -2.088 -10.895 1.00 0.00 H new ATOM 336 N ALA A 25 15.380 -2.368 -6.094 1.00 0.00 N ATOM 337 CA ALA A 25 14.935 -3.078 -4.901 1.00 0.00 C ATOM 338 C ALA A 25 13.980 -4.211 -5.259 1.00 0.00 C ATOM 339 O ALA A 25 13.227 -4.136 -6.230 1.00 0.00 O ATOM 340 CB ALA A 25 14.272 -2.112 -3.929 1.00 0.00 C ATOM 0 H ALA A 25 15.224 -1.360 -6.068 1.00 0.00 H new ATOM 0 HA ALA A 25 15.810 -3.516 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.944 -2.655 -3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.986 -1.341 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.411 -1.647 -4.409 1.00 0.00 H new ATOM 346 N PRO A 26 14.010 -5.287 -4.459 1.00 0.00 N ATOM 347 CA PRO A 26 13.152 -6.456 -4.673 1.00 0.00 C ATOM 348 C PRO A 26 11.685 -6.160 -4.383 1.00 0.00 C ATOM 349 O PRO A 26 11.364 -5.330 -3.532 1.00 0.00 O ATOM 350 CB PRO A 26 13.697 -7.482 -3.676 1.00 0.00 C ATOM 351 CG PRO A 26 14.334 -6.668 -2.604 1.00 0.00 C ATOM 352 CD PRO A 26 14.883 -5.444 -3.283 1.00 0.00 C ATOM 0 HA PRO A 26 13.174 -6.793 -5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.899 -8.108 -3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.419 -8.148 -4.149 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.608 -6.396 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.127 -7.228 -2.108 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.842 -4.571 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.926 -5.578 -3.571 1.00 0.00 H new ATOM 360 N LYS A 27 10.796 -6.844 -5.096 1.00 0.00 N ATOM 361 CA LYS A 27 9.362 -6.655 -4.915 1.00 0.00 C ATOM 362 C LYS A 27 8.886 -7.312 -3.623 1.00 0.00 C ATOM 363 O LYS A 27 9.416 -8.343 -3.208 1.00 0.00 O ATOM 364 CB LYS A 27 8.596 -7.235 -6.106 1.00 0.00 C ATOM 365 CG LYS A 27 7.157 -6.756 -6.196 1.00 0.00 C ATOM 366 CD LYS A 27 6.216 -7.675 -5.436 1.00 0.00 C ATOM 367 CE LYS A 27 5.712 -8.809 -6.315 1.00 0.00 C ATOM 368 NZ LYS A 27 6.610 -9.996 -6.258 1.00 0.00 N ATOM 0 H LYS A 27 11.044 -7.534 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 27 9.167 -5.584 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.117 -6.969 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.604 -8.323 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.083 -5.745 -5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.853 -6.707 -7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.731 -8.087 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.369 -7.100 -5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.710 -9.096 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.633 -8.462 -7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.073 -10.850 -6.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.395 -9.870 -6.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.991 -10.097 -5.295 1.00 0.00 H new ATOM 382 N SER A 28 7.882 -6.711 -2.993 1.00 0.00 N ATOM 383 CA SER A 28 7.336 -7.236 -1.748 1.00 0.00 C ATOM 384 C SER A 28 5.849 -7.547 -1.894 1.00 0.00 C ATOM 385 O SER A 28 5.153 -6.935 -2.705 1.00 0.00 O ATOM 386 CB SER A 28 7.549 -6.236 -0.610 1.00 0.00 C ATOM 387 OG SER A 28 7.582 -6.891 0.646 1.00 0.00 O ATOM 0 H SER A 28 7.430 -5.859 -3.325 1.00 0.00 H new ATOM 0 HA SER A 28 7.862 -8.161 -1.513 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.483 -5.696 -0.766 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.748 -5.497 -0.617 1.00 0.00 H new ATOM 0 HG SER A 28 7.721 -6.230 1.356 1.00 0.00 H new ATOM 393 N ILE A 29 5.370 -8.502 -1.104 1.00 0.00 N ATOM 394 CA ILE A 29 3.967 -8.894 -1.145 1.00 0.00 C ATOM 395 C ILE A 29 3.250 -8.506 0.144 1.00 0.00 C ATOM 396 O ILE A 29 3.666 -8.890 1.238 1.00 0.00 O ATOM 397 CB ILE A 29 3.812 -10.410 -1.369 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.339 -10.800 -2.751 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.356 -10.822 -1.216 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.793 -9.941 -3.871 1.00 0.00 C ATOM 0 H ILE A 29 5.933 -9.018 -0.428 1.00 0.00 H new ATOM 0 HA ILE A 29 3.516 -8.363 -1.983 1.00 0.00 H new ATOM 0 HB ILE A 29 4.399 -10.935 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.427 -10.731 -2.749 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.086 -11.842 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.263 -11.896 -1.377 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.011 -10.575 -0.212 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.749 -10.291 -1.949 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.210 -10.274 -4.821 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.707 -10.028 -3.900 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.069 -8.901 -3.699 1.00 0.00 H new ATOM 412 N LEU A 30 2.171 -7.745 0.008 1.00 0.00 N ATOM 413 CA LEU A 30 1.394 -7.306 1.162 1.00 0.00 C ATOM 414 C LEU A 30 0.097 -8.101 1.280 1.00 0.00 C ATOM 415 O LEU A 30 -0.441 -8.580 0.282 1.00 0.00 O ATOM 416 CB LEU A 30 1.081 -5.812 1.053 1.00 0.00 C ATOM 417 CG LEU A 30 0.322 -5.198 2.229 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.255 -4.976 3.410 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.337 -3.891 1.815 1.00 0.00 C ATOM 0 H LEU A 30 1.814 -7.419 -0.890 1.00 0.00 H new ATOM 0 HA LEU A 30 1.990 -7.482 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.020 -5.272 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.499 -5.648 0.146 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.459 -5.894 2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.697 -4.538 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.679 -5.930 3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.059 -4.300 3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.873 -3.468 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.427 -3.188 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.038 -4.079 1.001 1.00 0.00 H new ATOM 431 N GLN A 31 -0.399 -8.235 2.505 1.00 0.00 N ATOM 432 CA GLN A 31 -1.633 -8.971 2.753 1.00 0.00 C ATOM 433 C GLN A 31 -2.571 -8.175 3.654 1.00 0.00 C ATOM 434 O GLN A 31 -2.427 -8.182 4.878 1.00 0.00 O ATOM 435 CB GLN A 31 -1.325 -10.328 3.389 1.00 0.00 C ATOM 436 CG GLN A 31 -0.415 -11.203 2.543 1.00 0.00 C ATOM 437 CD GLN A 31 -0.603 -12.682 2.822 1.00 0.00 C ATOM 438 OE1 GLN A 31 -0.792 -13.090 3.969 1.00 0.00 O ATOM 439 NE2 GLN A 31 -0.554 -13.493 1.773 1.00 0.00 N ATOM 0 H GLN A 31 0.034 -7.844 3.341 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.128 -9.131 1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.859 -10.167 4.361 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.261 -10.857 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.608 -11.009 1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.623 -10.931 2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.395 -13.112 0.840 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.675 -14.498 1.899 1.00 0.00 H new ATOM 448 N LEU A 32 -3.530 -7.489 3.043 1.00 0.00 N ATOM 449 CA LEU A 32 -4.492 -6.686 3.791 1.00 0.00 C ATOM 450 C LEU A 32 -5.431 -7.575 4.599 1.00 0.00 C ATOM 451 O LEU A 32 -5.714 -8.716 4.234 1.00 0.00 O ATOM 452 CB LEU A 32 -5.301 -5.805 2.837 1.00 0.00 C ATOM 453 CG LEU A 32 -6.261 -6.536 1.899 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.628 -6.690 2.547 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.377 -5.798 0.573 1.00 0.00 C ATOM 0 H LEU A 32 -3.663 -7.472 2.032 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.939 -6.050 4.482 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.876 -5.094 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.605 -5.225 2.231 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.860 -7.531 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.298 -7.213 1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.531 -7.263 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.037 -5.705 2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.065 -6.333 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.753 -4.790 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.396 -5.741 0.101 1.00 0.00 H new ATOM 467 N PRO A 33 -5.929 -7.041 5.725 1.00 0.00 N ATOM 468 CA PRO A 33 -6.846 -7.768 6.607 1.00 0.00 C ATOM 469 C PRO A 33 -8.220 -7.967 5.978 1.00 0.00 C ATOM 470 O PRO A 33 -8.511 -7.420 4.915 1.00 0.00 O ATOM 471 CB PRO A 33 -6.948 -6.862 7.837 1.00 0.00 C ATOM 472 CG PRO A 33 -6.635 -5.497 7.328 1.00 0.00 C ATOM 473 CD PRO A 33 -5.635 -5.686 6.221 1.00 0.00 C ATOM 0 HA PRO A 33 -6.487 -8.773 6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.945 -6.902 8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.245 -7.166 8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.534 -5.002 6.961 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.226 -4.870 8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.755 -4.937 5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.611 -5.605 6.586 1.00 0.00 H new ATOM 598 N LEU A 42 -13.904 -7.021 -1.853 1.00 0.00 N ATOM 599 CA LEU A 42 -13.670 -5.963 -0.877 1.00 0.00 C ATOM 600 C LEU A 42 -14.443 -4.701 -1.246 1.00 0.00 C ATOM 601 O LEU A 42 -15.360 -4.293 -0.535 1.00 0.00 O ATOM 602 CB LEU A 42 -12.175 -5.649 -0.784 1.00 0.00 C ATOM 603 CG LEU A 42 -11.226 -6.814 -1.067 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.779 -6.373 -0.913 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.530 -7.986 -0.144 1.00 0.00 C ATOM 0 HA LEU A 42 -14.023 -6.313 0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.949 -4.844 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.965 -5.270 0.216 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.377 -7.139 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.118 -7.215 -1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.568 -5.566 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.612 -6.021 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.845 -8.806 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.407 -7.674 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.556 -8.318 -0.304 1.00 0.00 H new ATOM 617 N GLY A 43 -14.068 -4.088 -2.365 1.00 0.00 N ATOM 618 CA GLY A 43 -14.738 -2.881 -2.811 1.00 0.00 C ATOM 619 C GLY A 43 -15.200 -2.014 -1.656 1.00 0.00 C ATOM 620 O GLY A 43 -16.340 -2.121 -1.208 1.00 0.00 O ATOM 0 H GLY A 43 -13.312 -4.406 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.062 -2.307 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.597 -3.152 -3.425 1.00 0.00 H new ATOM 624 N GLY A 44 -14.310 -1.154 -1.171 1.00 0.00 N ATOM 625 CA GLY A 44 -14.650 -0.279 -0.064 1.00 0.00 C ATOM 626 C GLY A 44 -13.425 0.262 0.646 1.00 0.00 C ATOM 627 O GLY A 44 -13.486 1.303 1.299 1.00 0.00 O ATOM 0 H GLY A 44 -13.359 -1.047 -1.525 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.249 0.553 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.268 -0.824 0.649 1.00 0.00 H new ATOM 631 N TYR A 45 -12.309 -0.447 0.519 1.00 0.00 N ATOM 632 CA TYR A 45 -11.064 -0.035 1.157 1.00 0.00 C ATOM 633 C TYR A 45 -10.600 1.317 0.623 1.00 0.00 C ATOM 634 O TYR A 45 -10.562 1.539 -0.587 1.00 0.00 O ATOM 635 CB TYR A 45 -9.977 -1.086 0.930 1.00 0.00 C ATOM 636 CG TYR A 45 -10.020 -2.226 1.922 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.710 -2.020 3.261 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.369 -3.510 1.521 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.747 -3.058 4.171 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.411 -4.554 2.425 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.099 -4.323 3.748 1.00 0.00 C ATOM 642 OH TYR A 45 -10.137 -5.361 4.651 1.00 0.00 O ATOM 0 H TYR A 45 -12.241 -1.310 -0.020 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.248 0.061 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.078 -1.489 -0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.001 -0.604 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.435 -1.031 3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.612 -3.695 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.502 -2.881 5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.687 -5.545 2.097 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.377 -5.959 4.494 1.00 0.00 H new ATOM 652 N SER A 46 -10.248 2.217 1.535 1.00 0.00 N ATOM 653 CA SER A 46 -9.789 3.549 1.158 1.00 0.00 C ATOM 654 C SER A 46 -8.282 3.558 0.923 1.00 0.00 C ATOM 655 O SER A 46 -7.511 3.070 1.750 1.00 0.00 O ATOM 656 CB SER A 46 -10.154 4.564 2.243 1.00 0.00 C ATOM 657 OG SER A 46 -11.535 4.504 2.553 1.00 0.00 O ATOM 0 H SER A 46 -10.272 2.048 2.541 1.00 0.00 H new ATOM 0 HA SER A 46 -10.286 3.828 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.568 4.368 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.897 5.569 1.907 1.00 0.00 H new ATOM 0 HG SER A 46 -11.743 5.161 3.250 1.00 0.00 H new ATOM 663 N ILE A 47 -7.869 4.116 -0.210 1.00 0.00 N ATOM 664 CA ILE A 47 -6.454 4.190 -0.553 1.00 0.00 C ATOM 665 C ILE A 47 -5.602 4.465 0.681 1.00 0.00 C ATOM 666 O ILE A 47 -4.548 3.857 0.868 1.00 0.00 O ATOM 667 CB ILE A 47 -6.186 5.286 -1.602 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.782 4.885 -2.953 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.692 5.541 -1.731 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.043 3.751 -3.628 1.00 0.00 C ATOM 0 H ILE A 47 -8.494 4.523 -0.906 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.180 3.222 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.665 6.208 -1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.823 4.595 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.781 5.752 -3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.518 6.318 -2.476 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.294 5.865 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.192 4.623 -2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -6.521 3.521 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.008 4.045 -3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.066 2.869 -2.988 1.00 0.00 H new ATOM 682 N SER A 48 -6.068 5.383 1.522 1.00 0.00 N ATOM 683 CA SER A 48 -5.348 5.739 2.739 1.00 0.00 C ATOM 684 C SER A 48 -4.862 4.491 3.469 1.00 0.00 C ATOM 685 O SER A 48 -3.674 4.349 3.758 1.00 0.00 O ATOM 686 CB SER A 48 -6.243 6.568 3.662 1.00 0.00 C ATOM 687 OG SER A 48 -5.476 7.469 4.442 1.00 0.00 O ATOM 0 H SER A 48 -6.940 5.893 1.383 1.00 0.00 H new ATOM 0 HA SER A 48 -4.479 6.334 2.456 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.968 7.123 3.068 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.808 5.905 4.317 1.00 0.00 H new ATOM 0 HG SER A 48 -6.071 7.988 5.022 1.00 0.00 H new ATOM 693 N PHE A 49 -5.791 3.587 3.765 1.00 0.00 N ATOM 694 CA PHE A 49 -5.460 2.350 4.462 1.00 0.00 C ATOM 695 C PHE A 49 -4.151 1.766 3.940 1.00 0.00 C ATOM 696 O PHE A 49 -3.165 1.667 4.673 1.00 0.00 O ATOM 697 CB PHE A 49 -6.588 1.330 4.299 1.00 0.00 C ATOM 698 CG PHE A 49 -6.543 0.220 5.309 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.347 0.496 6.653 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.698 -1.100 4.916 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.304 -0.524 7.585 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.657 -2.124 5.843 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.461 -1.836 7.180 1.00 0.00 C ATOM 0 H PHE A 49 -6.779 3.689 3.533 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.338 2.580 5.521 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.546 1.844 4.378 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.538 0.902 3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.227 1.520 6.976 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.853 -1.331 3.872 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.148 -0.296 8.629 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.778 -3.148 5.523 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.431 -2.634 7.907 1.00 0.00 H new ATOM 713 N LEU A 50 -4.148 1.379 2.669 1.00 0.00 N ATOM 714 CA LEU A 50 -2.961 0.803 2.047 1.00 0.00 C ATOM 715 C LEU A 50 -1.722 1.636 2.362 1.00 0.00 C ATOM 716 O LEU A 50 -0.750 1.134 2.927 1.00 0.00 O ATOM 717 CB LEU A 50 -3.151 0.705 0.532 1.00 0.00 C ATOM 718 CG LEU A 50 -3.880 -0.541 0.027 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.221 -0.398 -1.448 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.037 -1.785 0.264 1.00 0.00 C ATOM 0 H LEU A 50 -4.954 1.454 2.049 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.817 -0.198 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.701 1.584 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.170 0.744 0.059 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.810 -0.646 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.739 -1.294 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.865 0.470 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.304 -0.268 -2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.572 -2.662 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.090 -1.690 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.844 -1.896 1.331 1.00 0.00 H new ATOM 732 N LYS A 51 -1.765 2.912 1.996 1.00 0.00 N ATOM 733 CA LYS A 51 -0.649 3.817 2.242 1.00 0.00 C ATOM 734 C LYS A 51 -0.093 3.626 3.650 1.00 0.00 C ATOM 735 O LYS A 51 1.061 3.955 3.920 1.00 0.00 O ATOM 736 CB LYS A 51 -1.091 5.270 2.050 1.00 0.00 C ATOM 737 CG LYS A 51 -1.260 5.667 0.594 1.00 0.00 C ATOM 738 CD LYS A 51 -1.708 7.113 0.459 1.00 0.00 C ATOM 739 CE LYS A 51 -1.890 7.506 -1.000 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.914 8.574 -1.162 1.00 0.00 N ATOM 0 H LYS A 51 -2.562 3.343 1.527 1.00 0.00 H new ATOM 0 HA LYS A 51 0.138 3.585 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.035 5.426 2.572 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.357 5.929 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.317 5.526 0.066 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.992 5.013 0.120 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.646 7.256 0.995 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.972 7.768 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.938 7.851 -1.405 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.184 6.630 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.329 8.516 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.662 8.449 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.468 9.505 -1.036 1.00 0.00 H new ATOM 754 N GLN A 52 -0.922 3.090 4.540 1.00 0.00 N ATOM 755 CA GLN A 52 -0.512 2.855 5.919 1.00 0.00 C ATOM 756 C GLN A 52 0.091 1.463 6.078 1.00 0.00 C ATOM 757 O GLN A 52 1.115 1.290 6.741 1.00 0.00 O ATOM 758 CB GLN A 52 -1.704 3.017 6.863 1.00 0.00 C ATOM 759 CG GLN A 52 -2.436 4.339 6.697 1.00 0.00 C ATOM 760 CD GLN A 52 -3.085 4.813 7.983 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.268 4.037 8.921 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.436 6.092 8.032 1.00 0.00 N ATOM 0 H GLN A 52 -1.880 2.811 4.331 1.00 0.00 H new ATOM 0 HA GLN A 52 0.248 3.593 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.405 2.199 6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.356 2.931 7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.735 5.097 6.348 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.200 4.233 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.265 6.699 7.230 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.877 6.468 8.871 1.00 0.00 H new ATOM 771 N LEU A 53 -0.549 0.473 5.465 1.00 0.00 N ATOM 772 CA LEU A 53 -0.076 -0.905 5.538 1.00 0.00 C ATOM 773 C LEU A 53 1.296 -1.045 4.888 1.00 0.00 C ATOM 774 O LEU A 53 2.258 -1.471 5.529 1.00 0.00 O ATOM 775 CB LEU A 53 -1.074 -1.844 4.858 1.00 0.00 C ATOM 776 CG LEU A 53 -2.351 -2.148 5.641 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.437 -1.137 5.304 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.830 -3.563 5.353 1.00 0.00 C ATOM 0 H LEU A 53 -1.397 0.599 4.912 1.00 0.00 H new ATOM 0 HA LEU A 53 0.012 -1.178 6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.355 -1.410 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.569 -2.786 4.646 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.128 -2.071 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.339 -1.369 5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.094 -0.135 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.657 -1.182 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.740 -3.761 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.035 -3.668 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.058 -4.275 5.646 1.00 0.00 H new ATOM 790 N ILE A 54 1.380 -0.682 3.612 1.00 0.00 N ATOM 791 CA ILE A 54 2.636 -0.764 2.876 1.00 0.00 C ATOM 792 C ILE A 54 3.742 0.008 3.588 1.00 0.00 C ATOM 793 O ILE A 54 4.835 -0.513 3.808 1.00 0.00 O ATOM 794 CB ILE A 54 2.486 -0.219 1.444 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.541 -1.109 0.633 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.845 -0.126 0.767 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.083 -0.729 0.775 1.00 0.00 C ATOM 0 H ILE A 54 0.594 -0.329 3.067 1.00 0.00 H new ATOM 0 HA ILE A 54 2.905 -1.819 2.828 1.00 0.00 H new ATOM 0 HB ILE A 54 2.058 0.782 1.495 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.821 -1.058 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.671 -2.145 0.948 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.722 0.261 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.490 0.544 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.299 -1.116 0.724 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.529 -1.401 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.213 -0.807 1.821 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.061 0.296 0.433 1.00 0.00 H new ATOM 809 N ALA A 55 3.449 1.254 3.948 1.00 0.00 N ATOM 810 CA ALA A 55 4.417 2.097 4.639 1.00 0.00 C ATOM 811 C ALA A 55 4.873 1.453 5.944 1.00 0.00 C ATOM 812 O ALA A 55 5.966 1.730 6.435 1.00 0.00 O ATOM 813 CB ALA A 55 3.823 3.472 4.905 1.00 0.00 C ATOM 0 H ALA A 55 2.549 1.701 3.772 1.00 0.00 H new ATOM 0 HA ALA A 55 5.290 2.209 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.556 4.091 5.421 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.554 3.941 3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.933 3.370 5.526 1.00 0.00 H new ATOM 819 N GLY A 56 4.026 0.592 6.501 1.00 0.00 N ATOM 820 CA GLY A 56 4.360 -0.076 7.745 1.00 0.00 C ATOM 821 C GLY A 56 5.246 -1.288 7.533 1.00 0.00 C ATOM 822 O GLY A 56 5.962 -1.711 8.440 1.00 0.00 O ATOM 0 H GLY A 56 3.115 0.346 6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.864 0.627 8.407 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.442 -0.384 8.246 1.00 0.00 H new ATOM 826 N LYS A 57 5.196 -1.851 6.330 1.00 0.00 N ATOM 827 CA LYS A 57 5.999 -3.023 5.999 1.00 0.00 C ATOM 828 C LYS A 57 7.376 -2.612 5.489 1.00 0.00 C ATOM 829 O LYS A 57 8.368 -3.303 5.723 1.00 0.00 O ATOM 830 CB LYS A 57 5.286 -3.874 4.947 1.00 0.00 C ATOM 831 CG LYS A 57 4.054 -4.588 5.475 1.00 0.00 C ATOM 832 CD LYS A 57 4.418 -5.892 6.166 1.00 0.00 C ATOM 833 CE LYS A 57 4.425 -7.058 5.190 1.00 0.00 C ATOM 834 NZ LYS A 57 5.673 -7.095 4.378 1.00 0.00 N ATOM 0 H LYS A 57 4.608 -1.514 5.568 1.00 0.00 H new ATOM 0 HA LYS A 57 6.129 -3.612 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.996 -3.236 4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.985 -4.614 4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.528 -3.939 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.369 -4.790 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.400 -5.798 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.706 -6.091 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.322 -7.993 5.741 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.563 -6.982 4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.923 -8.083 4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.523 -6.581 3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.447 -6.647 4.910 1.00 0.00 H new ATOM 848 N LEU A 58 7.430 -1.482 4.791 1.00 0.00 N ATOM 849 CA LEU A 58 8.687 -0.978 4.248 1.00 0.00 C ATOM 850 C LEU A 58 9.277 0.100 5.152 1.00 0.00 C ATOM 851 O LEU A 58 10.021 0.967 4.695 1.00 0.00 O ATOM 852 CB LEU A 58 8.469 -0.417 2.842 1.00 0.00 C ATOM 853 CG LEU A 58 7.538 -1.223 1.935 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.557 -0.664 0.521 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.934 -2.692 1.935 1.00 0.00 C ATOM 0 H LEU A 58 6.619 -0.898 4.588 1.00 0.00 H new ATOM 0 HA LEU A 58 9.391 -1.808 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.070 0.593 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.439 -0.333 2.351 1.00 0.00 H new ATOM 0 HG LEU A 58 6.523 -1.141 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.889 -1.250 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.225 0.374 0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.570 -0.715 0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.261 -3.250 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.957 -2.793 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.869 -3.086 2.949 1.00 0.00 H new ATOM 867 N GLN A 59 8.942 0.037 6.437 1.00 0.00 N ATOM 868 CA GLN A 59 9.440 1.006 7.405 1.00 0.00 C ATOM 869 C GLN A 59 10.952 1.168 7.285 1.00 0.00 C ATOM 870 O GLN A 59 11.519 2.154 7.754 1.00 0.00 O ATOM 871 CB GLN A 59 9.072 0.576 8.826 1.00 0.00 C ATOM 872 CG GLN A 59 7.658 0.959 9.230 1.00 0.00 C ATOM 873 CD GLN A 59 7.587 2.327 9.880 1.00 0.00 C ATOM 874 OE1 GLN A 59 7.306 3.327 9.219 1.00 0.00 O ATOM 875 NE2 GLN A 59 7.843 2.378 11.182 1.00 0.00 N ATOM 0 H GLN A 59 8.328 -0.675 6.831 1.00 0.00 H new ATOM 0 HA GLN A 59 8.972 1.967 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.185 -0.505 8.910 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.776 1.026 9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.016 0.946 8.349 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.267 0.212 9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.072 1.524 11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.811 3.271 11.673 1.00 0.00 H new ATOM 884 N GLU A 60 11.598 0.192 6.654 1.00 0.00 N ATOM 885 CA GLU A 60 13.045 0.226 6.474 1.00 0.00 C ATOM 886 C GLU A 60 13.456 1.404 5.596 1.00 0.00 C ATOM 887 O GLU A 60 14.502 2.017 5.811 1.00 0.00 O ATOM 888 CB GLU A 60 13.535 -1.083 5.853 1.00 0.00 C ATOM 889 CG GLU A 60 12.883 -1.405 4.518 1.00 0.00 C ATOM 890 CD GLU A 60 13.643 -0.823 3.343 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.848 -0.534 3.500 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.034 -0.656 2.266 1.00 0.00 O ATOM 0 H GLU A 60 11.143 -0.631 6.259 1.00 0.00 H new ATOM 0 HA GLU A 60 13.505 0.348 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.615 -1.029 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.342 -1.900 6.548 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.815 -2.487 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.863 -1.020 4.513 1.00 0.00 H new ATOM 899 N SER A 61 12.626 1.714 4.605 1.00 0.00 N ATOM 900 CA SER A 61 12.905 2.815 3.690 1.00 0.00 C ATOM 901 C SER A 61 11.886 3.937 3.865 1.00 0.00 C ATOM 902 O SER A 61 12.237 5.117 3.851 1.00 0.00 O ATOM 903 CB SER A 61 12.891 2.320 2.243 1.00 0.00 C ATOM 904 OG SER A 61 14.071 1.595 1.941 1.00 0.00 O ATOM 0 H SER A 61 11.755 1.218 4.415 1.00 0.00 H new ATOM 0 HA SER A 61 13.895 3.206 3.923 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.019 1.686 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.799 3.169 1.566 1.00 0.00 H new ATOM 0 HG SER A 61 13.832 0.737 1.532 1.00 0.00 H new ATOM 910 N VAL A 62 10.622 3.560 4.031 1.00 0.00 N ATOM 911 CA VAL A 62 9.551 4.534 4.210 1.00 0.00 C ATOM 912 C VAL A 62 9.555 5.101 5.625 1.00 0.00 C ATOM 913 O VAL A 62 9.329 4.392 6.605 1.00 0.00 O ATOM 914 CB VAL A 62 8.172 3.910 3.922 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.069 4.938 4.123 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.130 3.339 2.513 1.00 0.00 C ATOM 0 H VAL A 62 10.315 2.588 4.045 1.00 0.00 H new ATOM 0 HA VAL A 62 9.733 5.340 3.499 1.00 0.00 H new ATOM 0 HB VAL A 62 8.007 3.093 4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.102 4.480 3.915 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.088 5.295 5.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.226 5.777 3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.149 2.902 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.316 4.135 1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.895 2.570 2.409 1.00 0.00 H new ATOM 926 N PRO A 63 9.818 6.412 5.736 1.00 0.00 N ATOM 927 CA PRO A 63 9.856 7.105 7.027 1.00 0.00 C ATOM 928 C PRO A 63 8.475 7.228 7.660 1.00 0.00 C ATOM 929 O PRO A 63 8.283 6.882 8.826 1.00 0.00 O ATOM 930 CB PRO A 63 10.406 8.488 6.671 1.00 0.00 C ATOM 931 CG PRO A 63 10.044 8.683 5.239 1.00 0.00 C ATOM 932 CD PRO A 63 10.096 7.318 4.609 1.00 0.00 C ATOM 0 HA PRO A 63 10.457 6.568 7.760 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.966 9.263 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.485 8.534 6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.050 9.119 5.144 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.739 9.365 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.355 7.213 3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.070 7.118 4.163 1.00 0.00 H new ATOM 940 N ASP A 64 7.516 7.722 6.885 1.00 0.00 N ATOM 941 CA ASP A 64 6.151 7.889 7.371 1.00 0.00 C ATOM 942 C ASP A 64 5.141 7.576 6.271 1.00 0.00 C ATOM 943 O ASP A 64 5.367 7.848 5.091 1.00 0.00 O ATOM 944 CB ASP A 64 5.940 9.314 7.883 1.00 0.00 C ATOM 945 CG ASP A 64 6.294 9.460 9.350 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.501 9.482 9.670 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.364 9.553 10.178 1.00 0.00 O ATOM 0 H ASP A 64 7.658 8.014 5.918 1.00 0.00 H new ATOM 0 HA ASP A 64 5.996 7.190 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.548 10.002 7.295 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.899 9.601 7.733 1.00 0.00 H new ATOM 952 N PRO A 65 4.000 6.990 6.664 1.00 0.00 N ATOM 953 CA PRO A 65 2.933 6.627 5.726 1.00 0.00 C ATOM 954 C PRO A 65 2.223 7.850 5.154 1.00 0.00 C ATOM 955 O PRO A 65 1.451 7.741 4.203 1.00 0.00 O ATOM 956 CB PRO A 65 1.971 5.804 6.586 1.00 0.00 C ATOM 957 CG PRO A 65 2.205 6.279 7.978 1.00 0.00 C ATOM 958 CD PRO A 65 3.664 6.638 8.053 1.00 0.00 C ATOM 0 HA PRO A 65 3.317 6.090 4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.936 5.961 6.283 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.172 4.737 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.579 7.141 8.207 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.956 5.503 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.838 7.472 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.265 5.803 8.413 1.00 0.00 H new ATOM 966 N GLU A 66 2.491 9.012 5.741 1.00 0.00 N ATOM 967 CA GLU A 66 1.876 10.255 5.289 1.00 0.00 C ATOM 968 C GLU A 66 2.754 10.950 4.252 1.00 0.00 C ATOM 969 O GLU A 66 2.254 11.601 3.334 1.00 0.00 O ATOM 970 CB GLU A 66 1.630 11.190 6.475 1.00 0.00 C ATOM 971 CG GLU A 66 1.114 10.478 7.714 1.00 0.00 C ATOM 972 CD GLU A 66 0.250 11.372 8.583 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.430 12.259 8.028 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.255 11.184 9.817 1.00 0.00 O ATOM 0 H GLU A 66 3.129 9.119 6.530 1.00 0.00 H new ATOM 0 HA GLU A 66 0.920 10.010 4.826 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.560 11.703 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.912 11.956 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.537 9.604 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.959 10.116 8.299 1.00 0.00 H new ATOM 981 N LEU A 67 4.066 10.808 4.406 1.00 0.00 N ATOM 982 CA LEU A 67 5.015 11.423 3.485 1.00 0.00 C ATOM 983 C LEU A 67 5.221 10.549 2.252 1.00 0.00 C ATOM 984 O LEU A 67 6.244 10.646 1.574 1.00 0.00 O ATOM 985 CB LEU A 67 6.354 11.661 4.185 1.00 0.00 C ATOM 986 CG LEU A 67 6.287 12.354 5.546 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.670 12.438 6.172 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.676 13.741 5.409 1.00 0.00 C ATOM 0 H LEU A 67 4.497 10.272 5.160 1.00 0.00 H new ATOM 0 HA LEU A 67 4.604 12.381 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.850 10.699 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.984 12.259 3.526 1.00 0.00 H new ATOM 0 HG LEU A 67 5.650 11.761 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.602 12.934 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.070 11.433 6.307 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.331 13.007 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.636 14.219 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.286 14.343 4.736 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.667 13.656 5.006 1.00 0.00 H new ATOM 1000 N ILE A 68 4.242 9.697 1.967 1.00 0.00 N ATOM 1001 CA ILE A 68 4.315 8.809 0.814 1.00 0.00 C ATOM 1002 C ILE A 68 2.990 8.778 0.059 1.00 0.00 C ATOM 1003 O ILE A 68 1.929 9.016 0.637 1.00 0.00 O ATOM 1004 CB ILE A 68 4.689 7.374 1.231 1.00 0.00 C ATOM 1005 CG1 ILE A 68 3.612 6.789 2.146 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.044 7.360 1.922 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.515 6.061 1.401 1.00 0.00 C ATOM 0 H ILE A 68 3.389 9.603 2.519 1.00 0.00 H new ATOM 0 HA ILE A 68 5.094 9.203 0.161 1.00 0.00 H new ATOM 0 HB ILE A 68 4.753 6.756 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.080 6.101 2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.169 7.594 2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.295 6.339 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.804 7.741 1.240 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.006 7.990 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.787 5.673 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.021 6.750 0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.946 5.234 0.836 1.00 0.00 H new ATOM 1019 N ASP A 69 3.058 8.480 -1.234 1.00 0.00 N ATOM 1020 CA ASP A 69 1.864 8.415 -2.068 1.00 0.00 C ATOM 1021 C ASP A 69 1.802 7.092 -2.825 1.00 0.00 C ATOM 1022 O ASP A 69 2.824 6.438 -3.038 1.00 0.00 O ATOM 1023 CB ASP A 69 1.840 9.583 -3.054 1.00 0.00 C ATOM 1024 CG ASP A 69 1.934 10.928 -2.361 1.00 0.00 C ATOM 1025 OD1 ASP A 69 3.054 11.315 -1.965 1.00 0.00 O ATOM 1026 OD2 ASP A 69 0.888 11.595 -2.214 1.00 0.00 O ATOM 0 H ASP A 69 3.928 8.280 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 69 0.992 8.482 -1.417 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.668 9.480 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.921 9.542 -3.639 1.00 0.00 H new ATOM 1031 N LEU A 70 0.598 6.704 -3.230 1.00 0.00 N ATOM 1032 CA LEU A 70 0.402 5.458 -3.963 1.00 0.00 C ATOM 1033 C LEU A 70 0.158 5.731 -5.444 1.00 0.00 C ATOM 1034 O LEU A 70 -0.688 6.550 -5.803 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.774 4.677 -3.376 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.736 3.160 -3.568 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.553 2.583 -3.003 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.946 2.509 -2.913 1.00 0.00 C ATOM 0 H LEU A 70 -0.257 7.234 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 70 1.309 4.862 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.826 4.887 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.694 5.056 -3.821 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.768 2.947 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.563 1.503 -3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.406 3.026 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.615 2.806 -1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.902 1.430 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.945 2.731 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.858 2.900 -3.364 1.00 0.00 H new ATOM 1050 N ILE A 71 0.903 5.037 -6.299 1.00 0.00 N ATOM 1051 CA ILE A 71 0.764 5.202 -7.740 1.00 0.00 C ATOM 1052 C ILE A 71 0.329 3.900 -8.404 1.00 0.00 C ATOM 1053 O ILE A 71 0.898 2.839 -8.146 1.00 0.00 O ATOM 1054 CB ILE A 71 2.082 5.676 -8.382 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.657 6.861 -7.602 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.856 6.053 -9.838 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.705 8.032 -7.494 1.00 0.00 C ATOM 0 H ILE A 71 1.608 4.356 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.002 5.961 -7.898 1.00 0.00 H new ATOM 0 HB ILE A 71 2.802 4.858 -8.346 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.927 6.529 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.575 7.193 -8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.796 6.386 -10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.486 5.186 -10.385 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.123 6.858 -9.896 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.178 8.835 -6.929 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.454 8.390 -8.492 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.796 7.716 -6.983 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.684 3.989 -9.259 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.197 2.817 -9.960 1.00 0.00 C ATOM 1071 C TYR A 72 -1.602 3.171 -11.388 1.00 0.00 C ATOM 1072 O TYR A 72 -2.161 4.238 -11.640 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.393 2.231 -9.209 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.061 1.085 -9.934 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.547 -0.204 -9.858 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.205 1.290 -10.695 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.153 -1.255 -10.520 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.818 0.245 -11.358 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.289 -1.025 -11.268 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.896 -2.069 -11.928 1.00 0.00 O ATOM 0 H TYR A 72 -1.166 4.860 -9.483 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.402 2.072 -10.001 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.063 1.887 -8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.126 3.019 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.659 -0.388 -9.272 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.622 2.283 -10.769 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.740 -2.250 -10.452 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.708 0.422 -11.944 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.684 -1.739 -12.408 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.316 2.266 -12.317 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.649 2.481 -13.721 1.00 0.00 C ATOM 1092 C CYS A 73 -1.087 3.809 -14.217 1.00 0.00 C ATOM 1093 O CYS A 73 -1.631 4.421 -15.135 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.166 2.450 -13.917 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.830 0.807 -14.277 1.00 0.00 S ATOM 0 H CYS A 73 -0.855 1.377 -12.124 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.198 1.677 -14.303 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.646 2.835 -13.017 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.430 3.124 -14.732 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.314 0.287 -13.189 1.00 0.00 H new ATOM 1101 N GLY A 74 0.005 4.251 -13.600 1.00 0.00 N ATOM 1102 CA GLY A 74 0.622 5.505 -13.991 1.00 0.00 C ATOM 1103 C GLY A 74 -0.158 6.711 -13.506 1.00 0.00 C ATOM 1104 O GLY A 74 -0.010 7.810 -14.039 1.00 0.00 O ATOM 0 H GLY A 74 0.473 3.763 -12.836 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.636 5.547 -13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.705 5.543 -15.077 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.993 6.505 -12.492 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.802 7.583 -11.937 1.00 0.00 C ATOM 1110 C ARG A 75 -1.898 7.464 -10.419 1.00 0.00 C ATOM 1111 O ARG A 75 -2.233 6.405 -9.888 1.00 0.00 O ATOM 1112 CB ARG A 75 -3.203 7.566 -12.550 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.948 6.259 -12.332 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.399 6.364 -12.773 1.00 0.00 C ATOM 1115 NE ARG A 75 -6.118 5.106 -12.593 1.00 0.00 N ATOM 1116 CZ ARG A 75 -7.326 4.871 -13.095 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.945 5.805 -13.805 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.915 3.701 -12.889 1.00 0.00 N ATOM 0 H ARG A 75 -1.127 5.601 -12.038 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.318 8.529 -12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.787 8.382 -12.124 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.124 7.755 -13.621 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.455 5.461 -12.887 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.906 5.987 -11.277 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.895 7.150 -12.203 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.439 6.657 -13.822 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.669 4.367 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.494 6.705 -13.967 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.872 5.623 -14.189 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.441 2.980 -12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.842 3.522 -13.275 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.601 8.558 -9.725 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.654 8.579 -8.268 1.00 0.00 C ATOM 1134 C LYS A 76 -3.085 8.391 -7.773 1.00 0.00 C ATOM 1135 O LYS A 76 -4.038 8.836 -8.414 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.087 9.897 -7.735 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.776 9.868 -6.249 1.00 0.00 C ATOM 1138 CD LYS A 76 -1.972 10.306 -5.420 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.191 11.809 -5.509 1.00 0.00 C ATOM 1140 NZ LYS A 76 -1.223 12.561 -4.662 1.00 0.00 N ATOM 0 H LYS A 76 -1.321 9.442 -10.149 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.048 7.753 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.177 10.140 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.801 10.696 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.480 8.860 -5.958 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.071 10.522 -6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.866 9.786 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.819 10.020 -4.379 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.092 12.130 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.208 12.047 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.437 13.578 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.299 12.237 -3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.256 12.394 -5.008 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.228 7.732 -6.629 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.543 7.488 -6.047 1.00 0.00 C ATOM 1156 C LEU A 77 -4.737 8.307 -4.774 1.00 0.00 C ATOM 1157 O LEU A 77 -3.939 8.221 -3.841 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.718 5.999 -5.740 1.00 0.00 C ATOM 1159 CG LEU A 77 -4.036 5.030 -6.706 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -4.127 3.604 -6.185 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.655 5.134 -8.092 1.00 0.00 C ATOM 0 H LEU A 77 -2.450 7.357 -6.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.296 7.795 -6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.337 5.808 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.785 5.775 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.983 5.302 -6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.636 2.929 -6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.636 3.539 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.174 3.321 -6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.157 4.437 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.716 4.889 -8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.536 6.150 -8.468 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.802 9.100 -4.744 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.104 9.932 -3.585 1.00 0.00 C ATOM 1175 C LYS A 78 -6.621 9.086 -2.426 1.00 0.00 C ATOM 1176 O LYS A 78 -6.985 7.924 -2.608 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.139 10.998 -3.953 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.528 12.276 -4.500 1.00 0.00 C ATOM 1179 CD LYS A 78 -5.968 13.147 -3.388 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.057 13.980 -2.730 1.00 0.00 C ATOM 1181 NZ LYS A 78 -6.492 15.112 -1.945 1.00 0.00 N ATOM 0 H LYS A 78 -6.471 9.184 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.182 10.421 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.824 10.587 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.731 11.237 -3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.734 12.028 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.283 12.833 -5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.487 12.518 -2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.199 13.805 -3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.729 14.369 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.653 13.345 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.266 15.655 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.870 14.741 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.944 15.732 -2.575 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.650 9.675 -1.237 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.125 8.976 -0.048 1.00 0.00 C ATOM 1197 C ASP A 79 -8.647 9.027 0.041 1.00 0.00 C ATOM 1198 O ASP A 79 -9.242 8.498 0.980 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.507 9.587 1.210 1.00 0.00 C ATOM 1200 CG ASP A 79 -7.319 10.748 1.749 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -7.346 11.809 1.092 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.929 10.594 2.828 1.00 0.00 O ATOM 0 H ASP A 79 -6.350 10.635 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.819 7.933 -0.124 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -6.422 8.819 1.979 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.496 9.928 0.986 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.270 9.668 -0.941 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.723 9.789 -0.974 1.00 0.00 C ATOM 1209 C ASP A 80 -11.340 8.696 -1.841 1.00 0.00 C ATOM 1210 O ASP A 80 -12.550 8.474 -1.807 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.130 11.166 -1.501 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.627 11.286 -1.714 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.389 10.749 -0.883 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -13.035 11.917 -2.711 1.00 0.00 O ATOM 0 H ASP A 80 -8.792 10.112 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.095 9.674 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.804 11.932 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.616 11.358 -2.443 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.500 8.019 -2.617 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.964 6.951 -3.494 1.00 0.00 C ATOM 1221 C GLN A 81 -10.819 5.590 -2.820 1.00 0.00 C ATOM 1222 O GLN A 81 -10.308 5.490 -1.704 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.183 6.967 -4.809 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.985 8.361 -5.382 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.219 8.881 -6.093 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.273 9.058 -5.481 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.094 9.129 -7.391 1.00 0.00 N ATOM 0 H GLN A 81 -9.495 8.191 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.020 7.121 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.208 6.507 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.708 6.353 -5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.719 9.046 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.147 8.347 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.201 8.968 -7.857 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.891 9.481 -7.922 1.00 0.00 H new ATOM 1236 N THR A 82 -11.273 4.545 -3.504 1.00 0.00 N ATOM 1237 CA THR A 82 -11.195 3.190 -2.970 1.00 0.00 C ATOM 1238 C THR A 82 -10.675 2.215 -4.020 1.00 0.00 C ATOM 1239 O THR A 82 -10.542 2.563 -5.194 1.00 0.00 O ATOM 1240 CB THR A 82 -12.568 2.704 -2.470 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.586 3.055 -3.414 1.00 0.00 O ATOM 1242 CG2 THR A 82 -12.896 3.310 -1.114 1.00 0.00 C ATOM 0 H THR A 82 -11.699 4.610 -4.429 1.00 0.00 H new ATOM 0 HA THR A 82 -10.501 3.220 -2.130 1.00 0.00 H new ATOM 0 HB THR A 82 -12.529 1.620 -2.366 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.456 2.741 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.870 2.952 -0.782 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.135 3.016 -0.391 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.918 4.397 -1.197 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.381 0.993 -3.591 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.875 -0.035 -4.494 1.00 0.00 C ATOM 1252 C LEU A 83 -10.813 -0.225 -5.682 1.00 0.00 C ATOM 1253 O LEU A 83 -10.368 -0.361 -6.822 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.704 -1.359 -3.748 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.456 -1.480 -2.873 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.245 -1.843 -3.719 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.209 -0.184 -2.114 1.00 0.00 C ATOM 0 H LEU A 83 -10.484 0.689 -2.623 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.905 0.291 -4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.581 -1.515 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.690 -2.166 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.620 -2.277 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.366 -1.925 -3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.422 -2.796 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.078 -1.068 -4.467 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.317 -0.288 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.066 0.631 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.067 0.034 -1.478 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.113 -0.231 -5.408 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.115 -0.401 -6.454 1.00 0.00 C ATOM 1271 C ASP A 84 -13.160 0.821 -7.366 1.00 0.00 C ATOM 1272 O ASP A 84 -13.204 0.694 -8.590 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.492 -0.643 -5.836 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.617 -0.451 -6.835 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.996 0.712 -7.085 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.118 -1.464 -7.367 1.00 0.00 O ATOM 0 H ASP A 84 -12.498 -0.120 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.837 -1.269 -7.052 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.534 -1.656 -5.436 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.635 0.038 -4.997 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.150 2.005 -6.762 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.192 3.250 -7.520 1.00 0.00 C ATOM 1283 C PHE A 85 -12.179 3.227 -8.662 1.00 0.00 C ATOM 1284 O PHE A 85 -12.454 3.710 -9.760 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.913 4.441 -6.601 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.429 5.746 -7.137 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.926 6.272 -8.316 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.416 6.446 -6.463 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.398 7.473 -8.811 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.892 7.647 -6.953 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.383 8.161 -8.130 1.00 0.00 C ATOM 0 H PHE A 85 -13.113 2.128 -5.750 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.190 3.353 -7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.366 4.253 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.838 4.523 -6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -12.157 5.738 -8.854 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.818 6.048 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.997 7.873 -9.730 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.661 8.183 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.754 9.099 -8.517 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.007 2.662 -8.393 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.952 2.578 -9.396 1.00 0.00 C ATOM 1303 C TYR A 86 -9.998 1.238 -10.124 1.00 0.00 C ATOM 1304 O TYR A 86 -9.542 1.120 -11.260 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.582 2.769 -8.742 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.185 4.219 -8.581 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -7.720 4.957 -9.662 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.277 4.852 -7.347 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.355 6.281 -9.520 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.916 6.177 -7.195 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.455 6.887 -8.284 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.094 8.207 -8.138 1.00 0.00 O ATOM 0 H TYR A 86 -10.764 2.256 -7.490 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.114 3.372 -10.125 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.587 2.291 -7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.828 2.259 -9.342 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.643 4.487 -10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.637 4.299 -6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.993 6.839 -10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.994 6.654 -6.229 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.865 8.724 -7.826 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.553 0.229 -9.459 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.649 -1.090 -10.057 1.00 0.00 C ATOM 1324 C GLY A 87 -9.369 -1.887 -9.911 1.00 0.00 C ATOM 1325 O GLY A 87 -9.068 -2.748 -10.740 1.00 0.00 O ATOM 0 H GLY A 87 -10.938 0.302 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.469 -1.637 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.892 -0.989 -11.115 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.612 -1.602 -8.857 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.356 -2.299 -8.607 1.00 0.00 C ATOM 1331 C ILE A 88 -7.585 -3.796 -8.428 1.00 0.00 C ATOM 1332 O ILE A 88 -8.670 -4.224 -8.034 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.645 -1.746 -7.358 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.073 -0.356 -7.644 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.543 -2.696 -6.913 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.021 0.538 -6.424 1.00 0.00 C ATOM 0 H ILE A 88 -8.846 -0.893 -8.162 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.723 -2.133 -9.479 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.373 -1.660 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.067 -0.462 -8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.678 0.126 -8.412 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.049 -2.292 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.975 -3.668 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.814 -2.809 -7.716 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.605 1.507 -6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.028 0.675 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.392 0.077 -5.662 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.556 -4.585 -8.717 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.645 -6.034 -8.586 1.00 0.00 C ATOM 1350 C GLN A 89 -5.600 -6.558 -7.606 1.00 0.00 C ATOM 1351 O GLN A 89 -4.517 -5.992 -7.455 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.462 -6.703 -9.950 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.655 -6.532 -10.876 1.00 0.00 C ATOM 1354 CD GLN A 89 -8.979 -6.619 -10.143 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -9.270 -7.613 -9.477 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.791 -5.575 -10.263 1.00 0.00 N ATOM 0 H GLN A 89 -5.651 -4.245 -9.043 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.634 -6.278 -8.199 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.576 -6.290 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.277 -7.767 -9.802 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.585 -5.567 -11.379 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.622 -7.298 -11.651 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.509 -4.772 -10.825 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.696 -5.576 -9.793 1.00 0.00 H new ATOM 1365 N PRO A 90 -5.931 -7.663 -6.922 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.034 -8.287 -5.944 1.00 0.00 C ATOM 1367 C PRO A 90 -3.822 -8.938 -6.601 1.00 0.00 C ATOM 1368 O PRO A 90 -2.995 -9.552 -5.930 1.00 0.00 O ATOM 1369 CB PRO A 90 -5.917 -9.347 -5.280 1.00 0.00 C ATOM 1370 CG PRO A 90 -6.956 -9.667 -6.298 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.205 -8.389 -7.051 1.00 0.00 C ATOM 0 HA PRO A 90 -4.621 -7.558 -5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.340 -10.232 -5.012 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.366 -8.969 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.615 -10.455 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.870 -10.025 -5.824 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.455 -8.580 -8.095 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.034 -7.825 -6.623 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.724 -8.799 -7.920 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.610 -9.380 -8.646 1.00 0.00 C ATOM 1381 C GLY A 91 -1.759 -8.332 -9.336 1.00 0.00 C ATOM 1382 O GLY A 91 -0.830 -8.663 -10.072 1.00 0.00 O ATOM 0 H GLY A 91 -4.396 -8.295 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.989 -9.951 -7.956 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.990 -10.082 -9.389 1.00 0.00 H new ATOM 1386 N SER A 92 -2.077 -7.063 -9.098 1.00 0.00 N ATOM 1387 CA SER A 92 -1.337 -5.963 -9.706 1.00 0.00 C ATOM 1388 C SER A 92 -0.218 -5.486 -8.786 1.00 0.00 C ATOM 1389 O SER A 92 -0.061 -5.982 -7.670 1.00 0.00 O ATOM 1390 CB SER A 92 -2.281 -4.802 -10.025 1.00 0.00 C ATOM 1391 OG SER A 92 -3.326 -5.216 -10.888 1.00 0.00 O ATOM 0 H SER A 92 -2.842 -6.772 -8.489 1.00 0.00 H new ATOM 0 HA SER A 92 -0.891 -6.325 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.703 -4.408 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.721 -3.991 -10.490 1.00 0.00 H new ATOM 0 HG SER A 92 -3.916 -4.456 -11.075 1.00 0.00 H new ATOM 1397 N THR A 93 0.559 -4.518 -9.262 1.00 0.00 N ATOM 1398 CA THR A 93 1.665 -3.973 -8.484 1.00 0.00 C ATOM 1399 C THR A 93 1.623 -2.450 -8.461 1.00 0.00 C ATOM 1400 O THR A 93 1.504 -1.806 -9.504 1.00 0.00 O ATOM 1401 CB THR A 93 3.025 -4.429 -9.046 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.959 -5.808 -9.429 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.128 -4.236 -8.016 1.00 0.00 C ATOM 0 H THR A 93 0.443 -4.095 -10.183 1.00 0.00 H new ATOM 0 HA THR A 93 1.554 -4.352 -7.468 1.00 0.00 H new ATOM 0 HB THR A 93 3.255 -3.820 -9.920 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.827 -6.090 -9.787 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.079 -4.565 -8.435 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.195 -3.182 -7.748 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.902 -4.823 -7.126 1.00 0.00 H new ATOM 1411 N VAL A 94 1.721 -1.878 -7.265 1.00 0.00 N ATOM 1412 CA VAL A 94 1.696 -0.429 -7.106 1.00 0.00 C ATOM 1413 C VAL A 94 3.068 0.104 -6.707 1.00 0.00 C ATOM 1414 O VAL A 94 3.925 -0.646 -6.238 1.00 0.00 O ATOM 1415 CB VAL A 94 0.663 0.002 -6.049 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.743 -0.375 -6.491 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.991 -0.619 -4.700 1.00 0.00 C ATOM 0 H VAL A 94 1.818 -2.396 -6.392 1.00 0.00 H new ATOM 0 HA VAL A 94 1.413 -0.010 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 94 0.706 1.086 -5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.459 -0.062 -5.731 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.974 0.122 -7.433 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.805 -1.455 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.251 -0.304 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.977 -1.705 -4.786 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.981 -0.293 -4.381 1.00 0.00 H new ATOM 1427 N HIS A 95 3.269 1.404 -6.896 1.00 0.00 N ATOM 1428 CA HIS A 95 4.537 2.039 -6.555 1.00 0.00 C ATOM 1429 C HIS A 95 4.338 3.111 -5.487 1.00 0.00 C ATOM 1430 O HIS A 95 3.312 3.789 -5.458 1.00 0.00 O ATOM 1431 CB HIS A 95 5.175 2.656 -7.800 1.00 0.00 C ATOM 1432 CG HIS A 95 5.674 1.641 -8.782 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.910 1.039 -8.679 1.00 0.00 N ATOM 1434 CD2 HIS A 95 5.096 1.122 -9.891 1.00 0.00 C ATOM 1435 CE1 HIS A 95 7.072 0.195 -9.682 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.985 0.226 -10.432 1.00 0.00 N ATOM 0 H HIS A 95 2.570 2.038 -7.283 1.00 0.00 H new ATOM 0 HA HIS A 95 5.202 1.273 -6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.445 3.298 -8.293 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.005 3.293 -7.495 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.118 1.367 -10.278 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.945 -0.416 -9.859 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.831 -0.326 -11.276 1.00 0.00 H new ATOM 1445 N VAL A 96 5.327 3.256 -4.611 1.00 0.00 N ATOM 1446 CA VAL A 96 5.261 4.245 -3.541 1.00 0.00 C ATOM 1447 C VAL A 96 6.209 5.409 -3.809 1.00 0.00 C ATOM 1448 O VAL A 96 7.405 5.211 -4.030 1.00 0.00 O ATOM 1449 CB VAL A 96 5.606 3.620 -2.176 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.973 4.701 -1.171 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.445 2.779 -1.668 1.00 0.00 C ATOM 0 H VAL A 96 6.183 2.702 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 96 4.236 4.614 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 96 6.470 2.967 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.214 4.240 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.838 5.257 -1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.131 5.382 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.705 2.345 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.562 3.408 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.235 1.981 -2.380 1.00 0.00 H new ATOM 1461 N LEU A 97 5.669 6.622 -3.787 1.00 0.00 N ATOM 1462 CA LEU A 97 6.467 7.819 -4.027 1.00 0.00 C ATOM 1463 C LEU A 97 6.517 8.699 -2.782 1.00 0.00 C ATOM 1464 O LEU A 97 5.480 9.088 -2.243 1.00 0.00 O ATOM 1465 CB LEU A 97 5.893 8.612 -5.202 1.00 0.00 C ATOM 1466 CG LEU A 97 6.838 9.620 -5.857 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.213 10.717 -4.873 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.084 8.922 -6.381 1.00 0.00 C ATOM 0 H LEU A 97 4.682 6.803 -3.605 1.00 0.00 H new ATOM 0 HA LEU A 97 7.482 7.505 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.562 7.906 -5.964 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.008 9.146 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 97 6.321 10.078 -6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.886 11.425 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.312 11.237 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.710 10.276 -4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.744 9.655 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.603 8.436 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.798 8.174 -7.120 1.00 0.00 H new ATOM 1480 N ARG A 98 7.728 9.010 -2.331 1.00 0.00 N ATOM 1481 CA ARG A 98 7.912 9.845 -1.150 1.00 0.00 C ATOM 1482 C ARG A 98 7.721 11.320 -1.492 1.00 0.00 C ATOM 1483 O ARG A 98 8.336 11.837 -2.424 1.00 0.00 O ATOM 1484 CB ARG A 98 9.304 9.625 -0.556 1.00 0.00 C ATOM 1485 CG ARG A 98 9.363 8.491 0.455 1.00 0.00 C ATOM 1486 CD ARG A 98 10.521 8.668 1.424 1.00 0.00 C ATOM 1487 NE ARG A 98 11.756 8.078 0.915 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.937 8.221 1.505 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.043 8.930 2.620 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.016 7.653 0.981 1.00 0.00 N ATOM 0 H ARG A 98 8.596 8.696 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 98 7.161 9.560 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.006 9.417 -1.364 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.635 10.546 -0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.426 8.448 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.467 7.541 -0.068 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.677 9.730 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.267 8.209 2.380 1.00 0.00 H new ATOM 0 HE ARG A 98 11.709 7.525 0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.216 9.367 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.951 9.038 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.939 7.106 0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.922 7.764 1.435 1.00 0.00 H new