USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 51 GLN : amide:sc= -0.127 K(o=-0.13,f=-1.7!) USER MOD Set 1.2: A 98 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 2.1: A 39 SER OG : rot 176:sc= 0.932 USER MOD Set 2.2: A 48 TYR OH : rot 180:sc= 0.825 USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0.125 USER MOD Set 3.2: A 83 THR OG1 : rot -76:sc= 0.318 USER MOD Single : A 17 ASN : amide:sc= 0.111 K(o=0.11,f=-6.5!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 64:sc= -0.174 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.976 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.79! C(o=-1.8!,f=-3.2!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 36 HIS : no HE2:sc= -2.76 X(o=-2.8,f=-2.6!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 128:sc= 0.606 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -167:sc= 0 (180deg=-0.0941) USER MOD Single : A 76 ASN : amide:sc= -0.086 K(o=-0.086,f=-0.89) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.7!) USER MOD Single : A 80 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.9!) USER MOD Single : A 81 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.0047) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 85 HIS : no HE2:sc= -1.02 K(o=-1,f=-0.25) USER MOD Single : A 88 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.084) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 91 THR OG1 : rot -170:sc= -0.0946 USER MOD Single : A 93 TYR OH : rot 180:sc= 0.0656 USER MOD Single : A 101 ASN : amide:sc= -1.98 K(o=-2,f=-11!) USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 105 SER OG : rot 41:sc= -2.21 USER MOD Single : A 107 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.15) USER MOD Single : A 108 SER OG : rot 105:sc= 1.22 USER MOD Single : A 111 THR OG1 : rot -93:sc= -1.55 USER MOD Single : A 114 LYS NZ :NH3+ -135:sc= -1.42 (180deg=-3.61!) USER MOD Single : A 115 THR OG1 : rot -173:sc= 0.587 USER MOD Single : A 116 ASN : amide:sc= -3.01! K(o=-3!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -3.798 -16.181 -6.025 1.00 0.00 N ATOM 174 CA ALA A 15 -4.022 -14.769 -5.738 1.00 0.00 C ATOM 175 C ALA A 15 -3.366 -14.366 -4.422 1.00 0.00 C ATOM 176 O ALA A 15 -3.526 -15.025 -3.394 1.00 0.00 O ATOM 177 CB ALA A 15 -5.512 -14.467 -5.702 1.00 0.00 C ATOM 0 HA ALA A 15 -3.564 -14.184 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.664 -13.409 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.956 -14.708 -6.668 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.986 -15.067 -4.925 1.00 0.00 H new ATOM 183 N PRO A 16 -2.610 -13.258 -4.451 1.00 0.00 N ATOM 184 CA PRO A 16 -1.916 -12.743 -3.268 1.00 0.00 C ATOM 185 C PRO A 16 -2.879 -12.176 -2.231 1.00 0.00 C ATOM 186 O PRO A 16 -3.677 -11.289 -2.530 1.00 0.00 O ATOM 187 CB PRO A 16 -1.026 -11.633 -3.834 1.00 0.00 C ATOM 188 CG PRO A 16 -1.714 -11.195 -5.081 1.00 0.00 C ATOM 189 CD PRO A 16 -2.376 -12.424 -5.641 1.00 0.00 C ATOM 0 HA PRO A 16 -1.366 -13.526 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.924 -10.809 -3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.021 -12.000 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.449 -10.418 -4.869 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.003 -10.776 -5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.308 -12.181 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.738 -12.929 -6.366 1.00 0.00 H new ATOM 197 N ASN A 17 -2.799 -12.695 -1.009 1.00 0.00 N ATOM 198 CA ASN A 17 -3.665 -12.240 0.072 1.00 0.00 C ATOM 199 C ASN A 17 -3.666 -10.717 0.165 1.00 0.00 C ATOM 200 O ASN A 17 -2.630 -10.062 0.045 1.00 0.00 O ATOM 201 CB ASN A 17 -3.212 -12.842 1.404 1.00 0.00 C ATOM 202 CG ASN A 17 -3.112 -14.354 1.350 1.00 0.00 C ATOM 203 OD1 ASN A 17 -2.723 -14.926 0.331 1.00 0.00 O ATOM 204 ND2 ASN A 17 -3.464 -15.010 2.450 1.00 0.00 N ATOM 0 H ASN A 17 -2.144 -13.430 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.680 -12.574 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.242 -12.426 1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.914 -12.555 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.418 -16.029 2.473 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.780 -14.495 3.272 1.00 0.00 H new ATOM 211 N PRO A 18 -4.856 -10.138 0.383 1.00 0.00 N ATOM 212 CA PRO A 18 -5.021 -8.686 0.497 1.00 0.00 C ATOM 213 C PRO A 18 -4.406 -8.132 1.778 1.00 0.00 C ATOM 214 O PRO A 18 -4.737 -8.553 2.887 1.00 0.00 O ATOM 215 CB PRO A 18 -6.540 -8.501 0.510 1.00 0.00 C ATOM 216 CG PRO A 18 -7.074 -9.792 1.026 1.00 0.00 C ATOM 217 CD PRO A 18 -6.132 -10.856 0.535 1.00 0.00 C ATOM 0 HA PRO A 18 -4.520 -8.154 -0.312 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.832 -7.668 1.149 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.921 -8.286 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.123 -9.787 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.086 -9.969 0.662 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.048 -11.678 1.246 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.467 -11.285 -0.410 1.00 0.00 H new ATOM 225 N PRO A 19 -3.491 -7.163 1.626 1.00 0.00 N ATOM 226 CA PRO A 19 -2.812 -6.530 2.760 1.00 0.00 C ATOM 227 C PRO A 19 -3.750 -5.650 3.579 1.00 0.00 C ATOM 228 O PRO A 19 -4.820 -5.263 3.111 1.00 0.00 O ATOM 229 CB PRO A 19 -1.726 -5.681 2.095 1.00 0.00 C ATOM 230 CG PRO A 19 -2.249 -5.400 0.728 1.00 0.00 C ATOM 231 CD PRO A 19 -3.048 -6.612 0.334 1.00 0.00 C ATOM 0 HA PRO A 19 -2.424 -7.265 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.550 -4.759 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.776 -6.214 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.870 -4.505 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.433 -5.225 0.026 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.893 -6.347 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.444 -7.328 -0.222 1.00 0.00 H new ATOM 239 N SER A 20 -3.340 -5.336 4.804 1.00 0.00 N ATOM 240 CA SER A 20 -4.146 -4.503 5.690 1.00 0.00 C ATOM 241 C SER A 20 -3.380 -3.250 6.103 1.00 0.00 C ATOM 242 O SER A 20 -2.426 -3.321 6.879 1.00 0.00 O ATOM 243 CB SER A 20 -4.560 -5.295 6.931 1.00 0.00 C ATOM 244 OG SER A 20 -5.799 -5.953 6.727 1.00 0.00 O ATOM 0 H SER A 20 -2.455 -5.646 5.206 1.00 0.00 H new ATOM 0 HA SER A 20 -5.041 -4.198 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.790 -6.029 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.638 -4.623 7.786 1.00 0.00 H new ATOM 0 HG SER A 20 -6.040 -6.454 7.534 1.00 0.00 H new ATOM 250 N ILE A 21 -3.804 -2.105 5.580 1.00 0.00 N ATOM 251 CA ILE A 21 -3.160 -0.837 5.895 1.00 0.00 C ATOM 252 C ILE A 21 -3.463 -0.406 7.326 1.00 0.00 C ATOM 253 O ILE A 21 -4.566 0.051 7.627 1.00 0.00 O ATOM 254 CB ILE A 21 -3.607 0.277 4.930 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.178 -0.055 3.499 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.032 1.617 5.364 1.00 0.00 C ATOM 257 CD1 ILE A 21 -3.835 0.819 2.453 1.00 0.00 C ATOM 0 H ILE A 21 -4.591 -2.030 4.936 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.087 -0.993 5.785 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.695 0.345 4.957 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.096 0.048 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.415 -1.098 3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.357 2.394 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.383 1.856 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.943 1.563 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.484 0.528 1.463 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.917 0.698 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.577 1.862 2.636 1.00 0.00 H new ATOM 269 N ARG A 22 -2.477 -0.554 8.204 1.00 0.00 N ATOM 270 CA ARG A 22 -2.638 -0.180 9.604 1.00 0.00 C ATOM 271 C ARG A 22 -2.713 1.337 9.756 1.00 0.00 C ATOM 272 O ARG A 22 -1.688 2.014 9.819 1.00 0.00 O ATOM 273 CB ARG A 22 -1.480 -0.731 10.438 1.00 0.00 C ATOM 274 CG ARG A 22 -1.289 -2.232 10.298 1.00 0.00 C ATOM 275 CD ARG A 22 -2.236 -3.001 11.207 1.00 0.00 C ATOM 276 NE ARG A 22 -1.666 -4.274 11.639 1.00 0.00 N ATOM 277 CZ ARG A 22 -2.090 -4.945 12.704 1.00 0.00 C ATOM 278 NH1 ARG A 22 -3.082 -4.467 13.441 1.00 0.00 N ATOM 279 NH2 ARG A 22 -1.521 -6.098 13.033 1.00 0.00 N ATOM 0 H ARG A 22 -1.558 -0.930 7.971 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.572 -0.611 9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.559 -0.227 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.653 -0.492 11.487 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.458 -2.526 9.262 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.259 -2.493 10.540 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.472 -2.394 12.081 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.174 -3.183 10.683 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.900 -4.670 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.522 -3.581 13.191 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.405 -4.985 14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.757 -6.469 12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.847 -6.613 13.851 1.00 0.00 H new ATOM 293 N GLU A 23 -3.933 1.861 9.815 1.00 0.00 N ATOM 294 CA GLU A 23 -4.140 3.297 9.959 1.00 0.00 C ATOM 295 C GLU A 23 -3.557 3.802 11.276 1.00 0.00 C ATOM 296 O GLU A 23 -3.100 4.941 11.367 1.00 0.00 O ATOM 297 CB GLU A 23 -5.632 3.629 9.889 1.00 0.00 C ATOM 298 CG GLU A 23 -6.141 3.848 8.474 1.00 0.00 C ATOM 299 CD GLU A 23 -7.654 3.912 8.401 1.00 0.00 C ATOM 300 OE1 GLU A 23 -8.315 3.025 8.981 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.178 4.851 7.765 1.00 0.00 O ATOM 0 H GLU A 23 -4.792 1.313 9.765 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.625 3.796 9.138 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.198 2.819 10.348 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.824 4.526 10.478 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.723 4.775 8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.784 3.041 7.835 1.00 0.00 H new ATOM 308 N GLU A 24 -3.578 2.946 12.293 1.00 0.00 N ATOM 309 CA GLU A 24 -3.053 3.306 13.604 1.00 0.00 C ATOM 310 C GLU A 24 -1.551 3.563 13.537 1.00 0.00 C ATOM 311 O GLU A 24 -1.033 4.462 14.202 1.00 0.00 O ATOM 312 CB GLU A 24 -3.347 2.197 14.617 1.00 0.00 C ATOM 313 CG GLU A 24 -2.697 0.868 14.271 1.00 0.00 C ATOM 314 CD GLU A 24 -3.339 -0.301 14.992 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.075 -0.469 16.201 1.00 0.00 O ATOM 316 OE2 GLU A 24 -4.105 -1.048 14.347 1.00 0.00 O ATOM 0 H GLU A 24 -3.953 1.999 12.234 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.547 4.223 13.926 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.003 2.515 15.601 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.426 2.057 14.687 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.761 0.706 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.638 0.909 14.525 1.00 0.00 H new ATOM 323 N LEU A 25 -0.856 2.769 12.730 1.00 0.00 N ATOM 324 CA LEU A 25 0.588 2.909 12.576 1.00 0.00 C ATOM 325 C LEU A 25 0.923 3.977 11.539 1.00 0.00 C ATOM 326 O LEU A 25 1.986 4.597 11.593 1.00 0.00 O ATOM 327 CB LEU A 25 1.209 1.573 12.167 1.00 0.00 C ATOM 328 CG LEU A 25 0.790 0.357 12.994 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.455 -0.904 12.464 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.133 0.566 14.462 1.00 0.00 C ATOM 0 H LEU A 25 -1.269 2.022 12.172 1.00 0.00 H new ATOM 0 HA LEU A 25 1.003 3.217 13.536 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.957 1.382 11.124 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.294 1.668 12.221 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.290 0.238 12.907 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.145 -1.759 13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.159 -1.063 11.427 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.538 -0.795 12.520 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.828 -0.309 15.035 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.208 0.712 14.567 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.609 1.446 14.836 1.00 0.00 H new ATOM 342 N CYS A 26 0.010 4.187 10.598 1.00 0.00 N ATOM 343 CA CYS A 26 0.208 5.182 9.549 1.00 0.00 C ATOM 344 C CYS A 26 0.528 6.547 10.148 1.00 0.00 C ATOM 345 O CYS A 26 0.298 6.787 11.334 1.00 0.00 O ATOM 346 CB CYS A 26 -1.038 5.277 8.667 1.00 0.00 C ATOM 347 SG CYS A 26 -1.225 3.907 7.502 1.00 0.00 S ATOM 0 H CYS A 26 -0.874 3.682 10.539 1.00 0.00 H new ATOM 0 HA CYS A 26 1.054 4.867 8.938 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.920 5.319 9.306 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.004 6.212 8.109 1.00 0.00 H new ATOM 0 HG CYS A 26 -1.392 2.798 8.159 1.00 0.00 H new ATOM 353 N THR A 27 1.062 7.440 9.320 1.00 0.00 N ATOM 354 CA THR A 27 1.417 8.781 9.768 1.00 0.00 C ATOM 355 C THR A 27 1.236 9.800 8.649 1.00 0.00 C ATOM 356 O THR A 27 1.549 9.527 7.491 1.00 0.00 O ATOM 357 CB THR A 27 2.873 8.839 10.269 1.00 0.00 C ATOM 358 OG1 THR A 27 3.770 8.480 9.212 1.00 0.00 O ATOM 359 CG2 THR A 27 3.076 7.903 11.452 1.00 0.00 C ATOM 0 H THR A 27 1.258 7.259 8.336 1.00 0.00 H new ATOM 0 HA THR A 27 0.747 9.027 10.592 1.00 0.00 H new ATOM 0 HB THR A 27 3.082 9.859 10.592 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.693 8.521 9.538 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.111 7.961 11.788 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.413 8.196 12.266 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.849 6.880 11.150 1.00 0.00 H new ATOM 367 N ALA A 28 0.729 10.976 9.004 1.00 0.00 N ATOM 368 CA ALA A 28 0.509 12.038 8.029 1.00 0.00 C ATOM 369 C ALA A 28 1.394 13.245 8.323 1.00 0.00 C ATOM 370 O ALA A 28 1.504 13.682 9.468 1.00 0.00 O ATOM 371 CB ALA A 28 -0.956 12.446 8.016 1.00 0.00 C ATOM 0 H ALA A 28 0.463 11.218 9.959 1.00 0.00 H new ATOM 0 HA ALA A 28 0.777 11.655 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.106 13.239 7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.571 11.586 7.750 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.242 12.805 9.004 1.00 0.00 H new ATOM 377 N SER A 29 2.023 13.779 7.281 1.00 0.00 N ATOM 378 CA SER A 29 2.902 14.933 7.428 1.00 0.00 C ATOM 379 C SER A 29 2.516 16.038 6.450 1.00 0.00 C ATOM 380 O SER A 29 1.742 15.816 5.518 1.00 0.00 O ATOM 381 CB SER A 29 4.359 14.523 7.204 1.00 0.00 C ATOM 382 OG SER A 29 4.869 13.819 8.323 1.00 0.00 O ATOM 0 H SER A 29 1.940 13.431 6.326 1.00 0.00 H new ATOM 0 HA SER A 29 2.792 15.316 8.443 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.431 13.898 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.966 15.410 7.021 1.00 0.00 H new ATOM 0 HG SER A 29 5.801 13.567 8.154 1.00 0.00 H new ATOM 388 N HIS A 30 3.062 17.231 6.669 1.00 0.00 N ATOM 389 CA HIS A 30 2.776 18.372 5.807 1.00 0.00 C ATOM 390 C HIS A 30 2.658 17.936 4.350 1.00 0.00 C ATOM 391 O HIS A 30 1.566 17.927 3.781 1.00 0.00 O ATOM 392 CB HIS A 30 3.870 19.431 5.948 1.00 0.00 C ATOM 393 CG HIS A 30 5.245 18.856 6.092 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.689 18.249 7.248 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.276 18.796 5.218 1.00 0.00 C ATOM 396 CE1 HIS A 30 6.935 17.843 7.079 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.314 18.162 5.854 1.00 0.00 N ATOM 0 H HIS A 30 3.704 17.432 7.436 1.00 0.00 H new ATOM 0 HA HIS A 30 1.823 18.801 6.117 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.847 20.083 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.652 20.053 6.816 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.281 19.176 4.207 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.540 17.337 7.816 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.229 17.969 5.447 1.00 0.00 H new ATOM 406 N ASP A 31 3.788 17.576 3.752 1.00 0.00 N ATOM 407 CA ASP A 31 3.812 17.139 2.361 1.00 0.00 C ATOM 408 C ASP A 31 4.329 15.708 2.250 1.00 0.00 C ATOM 409 O ASP A 31 4.828 15.295 1.202 1.00 0.00 O ATOM 410 CB ASP A 31 4.684 18.076 1.524 1.00 0.00 C ATOM 411 CG ASP A 31 4.336 19.536 1.738 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.399 20.026 1.073 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.000 20.188 2.570 1.00 0.00 O ATOM 0 H ASP A 31 4.700 17.578 4.209 1.00 0.00 H new ATOM 0 HA ASP A 31 2.791 17.168 1.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.732 17.915 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.569 17.829 0.469 1.00 0.00 H new ATOM 418 N THR A 32 4.208 14.954 3.338 1.00 0.00 N ATOM 419 CA THR A 32 4.665 13.570 3.364 1.00 0.00 C ATOM 420 C THR A 32 3.668 12.676 4.092 1.00 0.00 C ATOM 421 O THR A 32 2.882 13.148 4.915 1.00 0.00 O ATOM 422 CB THR A 32 6.041 13.446 4.043 1.00 0.00 C ATOM 423 OG1 THR A 32 6.183 14.452 5.052 1.00 0.00 O ATOM 424 CG2 THR A 32 7.162 13.581 3.024 1.00 0.00 C ATOM 0 H THR A 32 3.797 15.279 4.213 1.00 0.00 H new ATOM 0 HA THR A 32 4.750 13.245 2.327 1.00 0.00 H new ATOM 0 HB THR A 32 6.106 12.460 4.503 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.060 14.365 5.480 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.124 13.490 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.069 12.795 2.274 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.097 14.555 2.539 1.00 0.00 H new ATOM 432 N ILE A 33 3.706 11.383 3.786 1.00 0.00 N ATOM 433 CA ILE A 33 2.807 10.423 4.414 1.00 0.00 C ATOM 434 C ILE A 33 3.386 9.013 4.363 1.00 0.00 C ATOM 435 O ILE A 33 3.848 8.557 3.317 1.00 0.00 O ATOM 436 CB ILE A 33 1.423 10.423 3.738 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.744 11.782 3.916 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.555 9.312 4.310 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.636 11.853 3.300 1.00 0.00 C ATOM 0 H ILE A 33 4.350 10.977 3.107 1.00 0.00 H new ATOM 0 HA ILE A 33 2.694 10.729 5.454 1.00 0.00 H new ATOM 0 HB ILE A 33 1.556 10.242 2.671 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.670 12.006 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.372 12.554 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.420 9.324 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.035 8.349 4.136 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.427 9.465 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.057 12.845 3.464 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.567 11.661 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.280 11.104 3.762 1.00 0.00 H new ATOM 451 N THR A 34 3.357 8.326 5.501 1.00 0.00 N ATOM 452 CA THR A 34 3.878 6.968 5.587 1.00 0.00 C ATOM 453 C THR A 34 2.765 5.970 5.887 1.00 0.00 C ATOM 454 O THR A 34 2.111 6.048 6.926 1.00 0.00 O ATOM 455 CB THR A 34 4.964 6.850 6.673 1.00 0.00 C ATOM 456 OG1 THR A 34 6.019 7.782 6.414 1.00 0.00 O ATOM 457 CG2 THR A 34 5.528 5.438 6.724 1.00 0.00 C ATOM 0 H THR A 34 2.978 8.688 6.376 1.00 0.00 H new ATOM 0 HA THR A 34 4.318 6.737 4.617 1.00 0.00 H new ATOM 0 HB THR A 34 4.509 7.077 7.637 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.705 7.702 7.110 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.293 5.380 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.727 4.734 6.951 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.969 5.187 5.759 1.00 0.00 H new ATOM 465 N VAL A 35 2.555 5.031 4.969 1.00 0.00 N ATOM 466 CA VAL A 35 1.522 4.016 5.136 1.00 0.00 C ATOM 467 C VAL A 35 2.130 2.669 5.509 1.00 0.00 C ATOM 468 O VAL A 35 3.053 2.189 4.850 1.00 0.00 O ATOM 469 CB VAL A 35 0.684 3.852 3.854 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.360 2.760 4.035 1.00 0.00 C ATOM 471 CG2 VAL A 35 0.028 5.171 3.475 1.00 0.00 C ATOM 0 H VAL A 35 3.087 4.953 4.102 1.00 0.00 H new ATOM 0 HA VAL A 35 0.873 4.354 5.944 1.00 0.00 H new ATOM 0 HB VAL A 35 1.348 3.556 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.943 2.658 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.136 1.815 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.023 3.023 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.560 5.037 2.567 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.624 5.499 4.285 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.797 5.923 3.301 1.00 0.00 H new ATOM 481 N HIS A 36 1.607 2.062 6.569 1.00 0.00 N ATOM 482 CA HIS A 36 2.098 0.768 7.029 1.00 0.00 C ATOM 483 C HIS A 36 1.084 -0.333 6.736 1.00 0.00 C ATOM 484 O HIS A 36 -0.050 -0.290 7.213 1.00 0.00 O ATOM 485 CB HIS A 36 2.397 0.816 8.528 1.00 0.00 C ATOM 486 CG HIS A 36 3.346 1.908 8.915 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.371 1.729 9.820 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.422 3.198 8.513 1.00 0.00 C ATOM 489 CE1 HIS A 36 5.036 2.862 9.959 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.481 3.769 9.176 1.00 0.00 N ATOM 0 H HIS A 36 0.843 2.445 7.126 1.00 0.00 H new ATOM 0 HA HIS A 36 3.018 0.543 6.489 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.462 0.949 9.072 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.813 -0.143 8.838 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.583 0.858 10.306 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.771 3.687 7.803 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.888 3.020 10.603 1.00 0.00 H new ATOM 499 N TRP A 37 1.499 -1.318 5.947 1.00 0.00 N ATOM 500 CA TRP A 37 0.626 -2.430 5.590 1.00 0.00 C ATOM 501 C TRP A 37 1.081 -3.719 6.266 1.00 0.00 C ATOM 502 O TRP A 37 2.264 -4.060 6.240 1.00 0.00 O ATOM 503 CB TRP A 37 0.601 -2.618 4.072 1.00 0.00 C ATOM 504 CG TRP A 37 1.962 -2.574 3.445 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.831 -3.617 3.300 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.610 -1.428 2.882 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.980 -3.189 2.680 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.869 -1.850 2.413 1.00 0.00 C ATOM 509 CE3 TRP A 37 2.248 -0.087 2.727 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.765 -0.978 1.801 1.00 0.00 C ATOM 511 CZ3 TRP A 37 3.138 0.777 2.120 1.00 0.00 C ATOM 512 CH2 TRP A 37 4.385 0.329 1.662 1.00 0.00 C ATOM 0 H TRP A 37 2.434 -1.369 5.543 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.380 -2.195 5.937 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.132 -3.574 3.839 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.021 -1.841 3.627 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.643 -4.630 3.625 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.785 -3.773 2.455 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.289 0.267 3.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.726 -1.321 1.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.869 1.816 1.996 1.00 0.00 H new ATOM 0 HH2 TRP A 37 5.059 1.029 1.190 1.00 0.00 H new ATOM 523 N ILE A 38 0.136 -4.430 6.871 1.00 0.00 N ATOM 524 CA ILE A 38 0.441 -5.682 7.553 1.00 0.00 C ATOM 525 C ILE A 38 0.015 -6.882 6.715 1.00 0.00 C ATOM 526 O ILE A 38 -1.122 -6.957 6.251 1.00 0.00 O ATOM 527 CB ILE A 38 -0.251 -5.757 8.927 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.148 -7.044 9.653 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.762 -5.682 8.763 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.403 -6.902 10.486 1.00 0.00 C ATOM 0 H ILE A 38 -0.847 -4.161 6.903 1.00 0.00 H new ATOM 0 HA ILE A 38 1.521 -5.708 7.697 1.00 0.00 H new ATOM 0 HB ILE A 38 0.073 -4.907 9.528 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.673 -7.358 10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.297 -7.835 8.918 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.237 -5.736 9.742 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.029 -4.741 8.281 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.103 -6.515 8.148 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.627 -7.852 10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.236 -6.618 9.843 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.252 -6.133 11.244 1.00 0.00 H new ATOM 542 N SER A 39 0.936 -7.822 6.526 1.00 0.00 N ATOM 543 CA SER A 39 0.658 -9.019 5.743 1.00 0.00 C ATOM 544 C SER A 39 1.261 -10.255 6.404 1.00 0.00 C ATOM 545 O SER A 39 2.317 -10.182 7.033 1.00 0.00 O ATOM 546 CB SER A 39 1.210 -8.866 4.324 1.00 0.00 C ATOM 547 OG SER A 39 0.793 -7.642 3.744 1.00 0.00 O ATOM 0 H SER A 39 1.882 -7.777 6.905 1.00 0.00 H new ATOM 0 HA SER A 39 -0.423 -9.146 5.694 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.299 -8.909 4.347 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.872 -9.698 3.707 1.00 0.00 H new ATOM 0 HG SER A 39 1.215 -7.536 2.866 1.00 0.00 H new ATOM 553 N ASP A 40 0.582 -11.387 6.258 1.00 0.00 N ATOM 554 CA ASP A 40 1.050 -12.640 6.840 1.00 0.00 C ATOM 555 C ASP A 40 1.871 -13.435 5.829 1.00 0.00 C ATOM 556 O ASP A 40 2.881 -14.045 6.178 1.00 0.00 O ATOM 557 CB ASP A 40 -0.135 -13.476 7.325 1.00 0.00 C ATOM 558 CG ASP A 40 0.255 -14.457 8.412 1.00 0.00 C ATOM 559 OD1 ASP A 40 1.295 -15.131 8.258 1.00 0.00 O ATOM 560 OD2 ASP A 40 -0.480 -14.553 9.418 1.00 0.00 O ATOM 0 H ASP A 40 -0.294 -11.463 5.742 1.00 0.00 H new ATOM 0 HA ASP A 40 1.688 -12.401 7.691 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.914 -12.813 7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -0.560 -14.022 6.483 1.00 0.00 H new ATOM 565 N ASP A 41 1.428 -13.425 4.577 1.00 0.00 N ATOM 566 CA ASP A 41 2.121 -14.146 3.515 1.00 0.00 C ATOM 567 C ASP A 41 2.755 -13.175 2.524 1.00 0.00 C ATOM 568 O ASP A 41 2.173 -12.868 1.484 1.00 0.00 O ATOM 569 CB ASP A 41 1.153 -15.079 2.787 1.00 0.00 C ATOM 570 CG ASP A 41 0.669 -16.214 3.668 1.00 0.00 C ATOM 571 OD1 ASP A 41 1.382 -16.560 4.633 1.00 0.00 O ATOM 572 OD2 ASP A 41 -0.421 -16.757 3.391 1.00 0.00 O ATOM 0 H ASP A 41 0.592 -12.926 4.272 1.00 0.00 H new ATOM 0 HA ASP A 41 2.913 -14.741 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.296 -14.505 2.435 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.644 -15.491 1.906 1.00 0.00 H new ATOM 577 N GLU A 42 3.950 -12.695 2.854 1.00 0.00 N ATOM 578 CA GLU A 42 4.661 -11.758 1.993 1.00 0.00 C ATOM 579 C GLU A 42 5.947 -12.380 1.456 1.00 0.00 C ATOM 580 O GLU A 42 6.873 -11.673 1.058 1.00 0.00 O ATOM 581 CB GLU A 42 4.984 -10.472 2.757 1.00 0.00 C ATOM 582 CG GLU A 42 6.061 -10.647 3.814 1.00 0.00 C ATOM 583 CD GLU A 42 6.725 -9.337 4.193 1.00 0.00 C ATOM 584 OE1 GLU A 42 7.328 -8.699 3.305 1.00 0.00 O ATOM 585 OE2 GLU A 42 6.640 -8.951 5.377 1.00 0.00 O ATOM 0 H GLU A 42 4.446 -12.940 3.711 1.00 0.00 H new ATOM 0 HA GLU A 42 4.014 -11.518 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.303 -9.708 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.075 -10.104 3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.622 -11.098 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.817 -11.340 3.446 1.00 0.00 H new ATOM 592 N PHE A 43 5.996 -13.708 1.449 1.00 0.00 N ATOM 593 CA PHE A 43 7.169 -14.426 0.963 1.00 0.00 C ATOM 594 C PHE A 43 7.025 -14.762 -0.519 1.00 0.00 C ATOM 595 O PHE A 43 8.009 -14.792 -1.258 1.00 0.00 O ATOM 596 CB PHE A 43 7.377 -15.709 1.770 1.00 0.00 C ATOM 597 CG PHE A 43 8.239 -15.519 2.986 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.746 -14.869 4.105 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.542 -15.991 3.008 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.536 -14.693 5.226 1.00 0.00 C ATOM 601 CE2 PHE A 43 10.336 -15.818 4.126 1.00 0.00 C ATOM 602 CZ PHE A 43 9.833 -15.167 5.236 1.00 0.00 C ATOM 0 H PHE A 43 5.238 -14.308 1.774 1.00 0.00 H new ATOM 0 HA PHE A 43 8.038 -13.780 1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.406 -16.096 2.080 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.830 -16.464 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.733 -14.495 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.941 -16.499 2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.139 -14.185 6.093 1.00 0.00 H new ATOM 0 HE2 PHE A 43 11.349 -16.192 4.132 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.453 -15.029 6.110 1.00 0.00 H new ATOM 612 N SER A 44 5.792 -15.014 -0.946 1.00 0.00 N ATOM 613 CA SER A 44 5.519 -15.352 -2.338 1.00 0.00 C ATOM 614 C SER A 44 5.433 -14.093 -3.195 1.00 0.00 C ATOM 615 O SER A 44 5.983 -14.040 -4.296 1.00 0.00 O ATOM 616 CB SER A 44 4.216 -16.146 -2.446 1.00 0.00 C ATOM 617 OG SER A 44 4.237 -17.279 -1.595 1.00 0.00 O ATOM 0 H SER A 44 4.966 -14.991 -0.348 1.00 0.00 H new ATOM 0 HA SER A 44 6.341 -15.966 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.374 -15.506 -2.184 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.065 -16.465 -3.477 1.00 0.00 H new ATOM 0 HG SER A 44 3.392 -17.769 -1.681 1.00 0.00 H new ATOM 623 N ILE A 45 4.738 -13.082 -2.684 1.00 0.00 N ATOM 624 CA ILE A 45 4.580 -11.824 -3.401 1.00 0.00 C ATOM 625 C ILE A 45 5.899 -11.377 -4.024 1.00 0.00 C ATOM 626 O ILE A 45 6.892 -11.179 -3.325 1.00 0.00 O ATOM 627 CB ILE A 45 4.060 -10.709 -2.475 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.692 -11.088 -1.903 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.977 -9.390 -3.228 1.00 0.00 C ATOM 630 CD1 ILE A 45 2.184 -10.119 -0.859 1.00 0.00 C ATOM 0 H ILE A 45 4.275 -13.110 -1.775 1.00 0.00 H new ATOM 0 HA ILE A 45 3.849 -12.001 -4.190 1.00 0.00 H new ATOM 0 HB ILE A 45 4.759 -10.589 -1.648 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.970 -11.144 -2.717 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.754 -12.083 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.608 -8.612 -2.560 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.967 -9.116 -3.592 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.296 -9.496 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.210 -10.450 -0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.886 -10.081 -0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.089 -9.126 -1.299 1.00 0.00 H new ATOM 642 N SER A 46 5.900 -11.219 -5.344 1.00 0.00 N ATOM 643 CA SER A 46 7.096 -10.797 -6.063 1.00 0.00 C ATOM 644 C SER A 46 7.511 -9.389 -5.648 1.00 0.00 C ATOM 645 O SER A 46 8.697 -9.099 -5.492 1.00 0.00 O ATOM 646 CB SER A 46 6.854 -10.846 -7.572 1.00 0.00 C ATOM 647 OG SER A 46 7.192 -12.117 -8.102 1.00 0.00 O ATOM 0 H SER A 46 5.085 -11.377 -5.937 1.00 0.00 H new ATOM 0 HA SER A 46 7.903 -11.484 -5.810 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.807 -10.627 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.446 -10.074 -8.064 1.00 0.00 H new ATOM 0 HG SER A 46 7.027 -12.123 -9.068 1.00 0.00 H new ATOM 653 N SER A 47 6.524 -8.516 -5.472 1.00 0.00 N ATOM 654 CA SER A 47 6.784 -7.136 -5.079 1.00 0.00 C ATOM 655 C SER A 47 5.490 -6.428 -4.689 1.00 0.00 C ATOM 656 O SER A 47 4.400 -6.841 -5.086 1.00 0.00 O ATOM 657 CB SER A 47 7.468 -6.380 -6.220 1.00 0.00 C ATOM 658 OG SER A 47 6.759 -6.539 -7.435 1.00 0.00 O ATOM 0 H SER A 47 5.537 -8.740 -5.595 1.00 0.00 H new ATOM 0 HA SER A 47 7.445 -7.149 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.534 -5.321 -5.970 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.488 -6.744 -6.341 1.00 0.00 H new ATOM 0 HG SER A 47 7.216 -6.045 -8.147 1.00 0.00 H new ATOM 664 N TYR A 48 5.619 -5.361 -3.908 1.00 0.00 N ATOM 665 CA TYR A 48 4.461 -4.597 -3.461 1.00 0.00 C ATOM 666 C TYR A 48 4.293 -3.327 -4.290 1.00 0.00 C ATOM 667 O TYR A 48 5.271 -2.747 -4.761 1.00 0.00 O ATOM 668 CB TYR A 48 4.601 -4.238 -1.981 1.00 0.00 C ATOM 669 CG TYR A 48 4.004 -5.269 -1.049 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.631 -5.483 -1.007 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.811 -6.027 -0.211 1.00 0.00 C ATOM 672 CE1 TYR A 48 2.081 -6.423 -0.157 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.270 -6.970 0.641 1.00 0.00 C ATOM 674 CZ TYR A 48 2.904 -7.164 0.665 1.00 0.00 C ATOM 675 OH TYR A 48 2.361 -8.101 1.513 1.00 0.00 O ATOM 0 H TYR A 48 6.514 -5.006 -3.572 1.00 0.00 H new ATOM 0 HA TYR A 48 3.575 -5.217 -3.596 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.658 -4.115 -1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.120 -3.276 -1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.984 -4.905 -1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.880 -5.877 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.012 -6.577 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.913 -7.552 1.285 1.00 0.00 H new ATOM 0 HH TYR A 48 3.077 -8.536 2.022 1.00 0.00 H new ATOM 685 N GLU A 49 3.046 -2.902 -4.464 1.00 0.00 N ATOM 686 CA GLU A 49 2.749 -1.701 -5.236 1.00 0.00 C ATOM 687 C GLU A 49 1.934 -0.711 -4.410 1.00 0.00 C ATOM 688 O GLU A 49 0.953 -1.082 -3.764 1.00 0.00 O ATOM 689 CB GLU A 49 1.989 -2.064 -6.513 1.00 0.00 C ATOM 690 CG GLU A 49 2.204 -1.079 -7.650 1.00 0.00 C ATOM 691 CD GLU A 49 3.432 -1.403 -8.479 1.00 0.00 C ATOM 692 OE1 GLU A 49 3.809 -2.592 -8.539 1.00 0.00 O ATOM 693 OE2 GLU A 49 4.016 -0.469 -9.066 1.00 0.00 O ATOM 0 H GLU A 49 2.225 -3.371 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 49 3.694 -1.230 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.298 -3.057 -6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.924 -2.120 -6.288 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.325 -1.077 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.301 -0.073 -7.241 1.00 0.00 H new ATOM 700 N LEU A 50 2.346 0.552 -4.434 1.00 0.00 N ATOM 701 CA LEU A 50 1.655 1.597 -3.688 1.00 0.00 C ATOM 702 C LEU A 50 0.882 2.517 -4.627 1.00 0.00 C ATOM 703 O LEU A 50 1.396 2.933 -5.665 1.00 0.00 O ATOM 704 CB LEU A 50 2.657 2.412 -2.867 1.00 0.00 C ATOM 705 CG LEU A 50 2.060 3.329 -1.798 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.431 2.509 -0.683 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.126 4.262 -1.242 1.00 0.00 C ATOM 0 H LEU A 50 3.156 0.877 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 50 0.945 1.118 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.346 1.721 -2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.247 3.021 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 50 1.280 3.935 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.011 3.178 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.639 1.883 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.191 1.877 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.684 4.908 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.928 3.674 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.530 4.874 -2.048 1.00 0.00 H new ATOM 719 N GLN A 51 -0.354 2.832 -4.254 1.00 0.00 N ATOM 720 CA GLN A 51 -1.197 3.704 -5.063 1.00 0.00 C ATOM 721 C GLN A 51 -1.786 4.829 -4.218 1.00 0.00 C ATOM 722 O GLN A 51 -2.489 4.580 -3.239 1.00 0.00 O ATOM 723 CB GLN A 51 -2.321 2.899 -5.718 1.00 0.00 C ATOM 724 CG GLN A 51 -1.823 1.792 -6.633 1.00 0.00 C ATOM 725 CD GLN A 51 -2.841 1.406 -7.688 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.690 2.210 -8.072 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.760 0.169 -8.164 1.00 0.00 N ATOM 0 H GLN A 51 -0.794 2.496 -3.397 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.576 4.147 -5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.945 2.462 -4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.955 3.576 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.904 2.115 -7.121 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.575 0.915 -6.035 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.040 -0.465 -7.817 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.418 -0.147 -8.877 1.00 0.00 H new ATOM 736 N TYR A 52 -1.494 6.066 -4.603 1.00 0.00 N ATOM 737 CA TYR A 52 -1.993 7.230 -3.879 1.00 0.00 C ATOM 738 C TYR A 52 -2.557 8.270 -4.842 1.00 0.00 C ATOM 739 O TYR A 52 -2.071 8.425 -5.963 1.00 0.00 O ATOM 740 CB TYR A 52 -0.877 7.849 -3.037 1.00 0.00 C ATOM 741 CG TYR A 52 0.295 8.345 -3.854 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.210 7.455 -4.403 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.485 9.703 -4.079 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.282 7.904 -5.149 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.553 10.160 -4.826 1.00 0.00 C ATOM 746 CZ TYR A 52 2.449 9.257 -5.359 1.00 0.00 C ATOM 747 OH TYR A 52 3.515 9.707 -6.103 1.00 0.00 O ATOM 0 H TYR A 52 -0.914 6.289 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.796 6.900 -3.220 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.286 8.680 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.522 7.109 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.081 6.395 -4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.214 10.413 -3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.986 7.199 -5.566 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.686 11.219 -4.992 1.00 0.00 H new ATOM 0 HH TYR A 52 3.193 10.311 -6.804 1.00 0.00 H new ATOM 757 N THR A 53 -3.587 8.983 -4.396 1.00 0.00 N ATOM 758 CA THR A 53 -4.219 10.009 -5.216 1.00 0.00 C ATOM 759 C THR A 53 -4.920 11.050 -4.351 1.00 0.00 C ATOM 760 O THR A 53 -5.335 10.759 -3.229 1.00 0.00 O ATOM 761 CB THR A 53 -5.240 9.397 -6.193 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.519 10.319 -7.253 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.532 9.040 -5.472 1.00 0.00 C ATOM 0 H THR A 53 -4.001 8.868 -3.471 1.00 0.00 H new ATOM 0 HA THR A 53 -3.425 10.491 -5.787 1.00 0.00 H new ATOM 0 HB THR A 53 -4.810 8.486 -6.609 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.168 9.921 -7.870 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.238 8.609 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.321 8.316 -4.685 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.963 9.939 -5.031 1.00 0.00 H new ATOM 771 N ILE A 54 -5.050 12.261 -4.880 1.00 0.00 N ATOM 772 CA ILE A 54 -5.703 13.345 -4.156 1.00 0.00 C ATOM 773 C ILE A 54 -7.221 13.207 -4.214 1.00 0.00 C ATOM 774 O ILE A 54 -7.815 13.215 -5.292 1.00 0.00 O ATOM 775 CB ILE A 54 -5.302 14.721 -4.719 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.817 14.988 -4.463 1.00 0.00 C ATOM 777 CG2 ILE A 54 -6.157 15.816 -4.100 1.00 0.00 C ATOM 778 CD1 ILE A 54 -3.193 15.936 -5.462 1.00 0.00 C ATOM 0 H ILE A 54 -4.712 12.517 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.373 13.276 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.471 14.720 -5.796 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.698 15.399 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.277 14.042 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.862 16.783 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.207 15.631 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.016 15.820 -3.019 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.140 16.079 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.281 15.517 -6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.708 16.896 -5.423 1.00 0.00 H new ATOM 790 N PHE A 55 -7.843 13.083 -3.046 1.00 0.00 N ATOM 791 CA PHE A 55 -9.292 12.945 -2.962 1.00 0.00 C ATOM 792 C PHE A 55 -9.962 14.310 -2.833 1.00 0.00 C ATOM 793 O PHE A 55 -9.746 15.032 -1.859 1.00 0.00 O ATOM 794 CB PHE A 55 -9.674 12.063 -1.772 1.00 0.00 C ATOM 795 CG PHE A 55 -11.156 11.875 -1.616 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.931 12.852 -1.010 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.775 10.724 -2.075 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.295 12.681 -0.864 1.00 0.00 C ATOM 799 CE2 PHE A 55 -13.138 10.548 -1.932 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.899 11.529 -1.327 1.00 0.00 C ATOM 0 H PHE A 55 -7.366 13.075 -2.145 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.640 12.474 -3.881 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.202 11.087 -1.887 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.274 12.505 -0.859 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.464 13.756 -0.648 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -11.185 9.955 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.888 13.448 -0.388 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.608 9.645 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.965 11.395 -1.216 1.00 0.00 H new ATOM 1050 N MET A 72 -1.291 7.689 -8.751 1.00 0.00 N ATOM 1051 CA MET A 72 0.154 7.508 -8.826 1.00 0.00 C ATOM 1052 C MET A 72 0.553 6.115 -8.350 1.00 0.00 C ATOM 1053 O MET A 72 -0.101 5.534 -7.484 1.00 0.00 O ATOM 1054 CB MET A 72 0.867 8.570 -7.987 1.00 0.00 C ATOM 1055 CG MET A 72 1.187 9.840 -8.758 1.00 0.00 C ATOM 1056 SD MET A 72 1.209 11.305 -7.706 1.00 0.00 S ATOM 1057 CE MET A 72 -0.544 11.565 -7.451 1.00 0.00 C ATOM 0 HA MET A 72 0.455 7.617 -9.868 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.243 8.823 -7.130 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.793 8.150 -7.595 1.00 0.00 H new ATOM 0 HG2 MET A 72 2.157 9.731 -9.243 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.449 9.976 -9.548 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.706 12.553 -7.020 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.065 11.496 -8.406 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.930 10.805 -6.772 1.00 0.00 H new ATOM 1067 N ILE A 73 1.630 5.585 -8.921 1.00 0.00 N ATOM 1068 CA ILE A 73 2.116 4.261 -8.554 1.00 0.00 C ATOM 1069 C ILE A 73 3.625 4.269 -8.337 1.00 0.00 C ATOM 1070 O ILE A 73 4.361 4.953 -9.048 1.00 0.00 O ATOM 1071 CB ILE A 73 1.769 3.216 -9.630 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.253 3.128 -9.817 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.341 1.857 -9.253 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.288 4.107 -10.835 1.00 0.00 C ATOM 0 H ILE A 73 2.182 6.053 -9.640 1.00 0.00 H new ATOM 0 HA ILE A 73 1.619 3.990 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 73 2.215 3.527 -10.574 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.009 2.115 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.234 3.307 -8.858 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.087 1.129 -10.023 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.425 1.930 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.921 1.537 -8.299 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.369 3.988 -10.916 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.057 5.125 -10.520 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.171 3.915 -11.805 1.00 0.00 H new ATOM 1086 N VAL A 74 4.080 3.503 -7.350 1.00 0.00 N ATOM 1087 CA VAL A 74 5.503 3.420 -7.041 1.00 0.00 C ATOM 1088 C VAL A 74 5.935 1.973 -6.829 1.00 0.00 C ATOM 1089 O VAL A 74 5.875 1.437 -5.723 1.00 0.00 O ATOM 1090 CB VAL A 74 5.853 4.238 -5.784 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.330 4.096 -5.449 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.480 5.700 -5.980 1.00 0.00 C ATOM 0 H VAL A 74 3.484 2.931 -6.751 1.00 0.00 H new ATOM 0 HA VAL A 74 6.038 3.835 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 74 5.276 3.849 -4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.559 4.681 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.562 3.047 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.929 4.458 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.734 6.264 -5.082 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.029 6.105 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.409 5.780 -6.168 1.00 0.00 H new ATOM 1102 N PRO A 75 6.382 1.324 -7.915 1.00 0.00 N ATOM 1103 CA PRO A 75 6.834 -0.070 -7.873 1.00 0.00 C ATOM 1104 C PRO A 75 8.148 -0.230 -7.116 1.00 0.00 C ATOM 1105 O PRO A 75 8.685 0.735 -6.574 1.00 0.00 O ATOM 1106 CB PRO A 75 7.022 -0.426 -9.350 1.00 0.00 C ATOM 1107 CG PRO A 75 7.279 0.877 -10.024 1.00 0.00 C ATOM 1108 CD PRO A 75 6.480 1.901 -9.266 1.00 0.00 C ATOM 0 HA PRO A 75 6.125 -0.713 -7.352 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.856 -1.114 -9.488 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.135 -0.913 -9.756 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.341 1.121 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.975 0.842 -11.070 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.978 2.871 -9.254 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.496 2.053 -9.711 1.00 0.00 H new ATOM 1116 N ASN A 76 8.660 -1.456 -7.083 1.00 0.00 N ATOM 1117 CA ASN A 76 9.912 -1.743 -6.391 1.00 0.00 C ATOM 1118 C ASN A 76 9.789 -1.447 -4.899 1.00 0.00 C ATOM 1119 O ASN A 76 10.630 -0.757 -4.322 1.00 0.00 O ATOM 1120 CB ASN A 76 11.052 -0.919 -6.994 1.00 0.00 C ATOM 1121 CG ASN A 76 11.751 -1.643 -8.129 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.974 -2.852 -8.065 1.00 0.00 O ATOM 1123 ND2 ASN A 76 12.099 -0.904 -9.175 1.00 0.00 N ATOM 0 H ASN A 76 8.228 -2.266 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 76 10.133 -2.803 -6.516 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.657 0.029 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.778 -0.683 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.572 -1.335 -9.969 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.894 0.095 -9.184 1.00 0.00 H new ATOM 1130 N ILE A 77 8.737 -1.974 -4.282 1.00 0.00 N ATOM 1131 CA ILE A 77 8.506 -1.767 -2.858 1.00 0.00 C ATOM 1132 C ILE A 77 8.743 -3.052 -2.071 1.00 0.00 C ATOM 1133 O ILE A 77 7.893 -3.943 -2.043 1.00 0.00 O ATOM 1134 CB ILE A 77 7.074 -1.269 -2.586 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.779 -0.020 -3.419 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.885 -0.982 -1.104 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.431 0.599 -3.123 1.00 0.00 C ATOM 0 H ILE A 77 8.032 -2.547 -4.745 1.00 0.00 H new ATOM 0 HA ILE A 77 9.215 -1.006 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 77 6.372 -2.050 -2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.558 0.721 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.827 -0.279 -4.477 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.868 -0.631 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.058 -1.893 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.593 -0.216 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.290 1.480 -3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.644 -0.126 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.387 0.890 -2.073 1.00 0.00 H new ATOM 1149 N LYS A 78 9.903 -3.140 -1.429 1.00 0.00 N ATOM 1150 CA LYS A 78 10.253 -4.314 -0.638 1.00 0.00 C ATOM 1151 C LYS A 78 10.290 -3.976 0.849 1.00 0.00 C ATOM 1152 O LYS A 78 11.200 -4.392 1.566 1.00 0.00 O ATOM 1153 CB LYS A 78 11.609 -4.868 -1.080 1.00 0.00 C ATOM 1154 CG LYS A 78 11.665 -5.234 -2.553 1.00 0.00 C ATOM 1155 CD LYS A 78 11.109 -6.626 -2.803 1.00 0.00 C ATOM 1156 CE LYS A 78 11.070 -6.953 -4.288 1.00 0.00 C ATOM 1157 NZ LYS A 78 12.378 -7.471 -4.776 1.00 0.00 N ATOM 0 H LYS A 78 10.617 -2.412 -1.441 1.00 0.00 H new ATOM 0 HA LYS A 78 9.488 -5.073 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.381 -4.128 -0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.843 -5.751 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.098 -4.505 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.696 -5.185 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.722 -7.362 -2.283 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.104 -6.697 -2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.293 -7.694 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.801 -6.059 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.311 -7.682 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.115 -6.755 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.623 -8.339 -4.258 1.00 0.00 H new ATOM 1171 N GLN A 79 9.296 -3.221 1.305 1.00 0.00 N ATOM 1172 CA GLN A 79 9.216 -2.829 2.707 1.00 0.00 C ATOM 1173 C GLN A 79 7.772 -2.848 3.197 1.00 0.00 C ATOM 1174 O GLN A 79 6.840 -2.985 2.405 1.00 0.00 O ATOM 1175 CB GLN A 79 9.815 -1.435 2.904 1.00 0.00 C ATOM 1176 CG GLN A 79 9.183 -0.371 2.021 1.00 0.00 C ATOM 1177 CD GLN A 79 10.082 0.833 1.824 1.00 0.00 C ATOM 1178 OE1 GLN A 79 11.216 0.861 2.303 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.580 1.838 1.115 1.00 0.00 N ATOM 0 H GLN A 79 8.535 -2.869 0.724 1.00 0.00 H new ATOM 0 HA GLN A 79 9.788 -3.549 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.701 -1.144 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.885 -1.476 2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.945 -0.805 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 79 8.242 -0.048 2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.635 1.773 0.736 1.00 0.00 H new ATOM 0 HE22 GLN A 79 10.139 2.675 0.949 1.00 0.00 H new ATOM 1188 N ASN A 80 7.594 -2.710 4.507 1.00 0.00 N ATOM 1189 CA ASN A 80 6.263 -2.713 5.102 1.00 0.00 C ATOM 1190 C ASN A 80 5.774 -1.288 5.347 1.00 0.00 C ATOM 1191 O ASN A 80 4.807 -1.069 6.078 1.00 0.00 O ATOM 1192 CB ASN A 80 6.271 -3.494 6.417 1.00 0.00 C ATOM 1193 CG ASN A 80 6.545 -4.972 6.210 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.463 -5.348 5.482 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.746 -5.817 6.851 1.00 0.00 N ATOM 0 H ASN A 80 8.355 -2.595 5.176 1.00 0.00 H new ATOM 0 HA ASN A 80 5.581 -3.198 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.029 -3.076 7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.309 -3.372 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.881 -6.823 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.997 -5.460 7.445 1.00 0.00 H new ATOM 1202 N HIS A 81 6.448 -0.323 4.730 1.00 0.00 N ATOM 1203 CA HIS A 81 6.082 1.081 4.880 1.00 0.00 C ATOM 1204 C HIS A 81 6.851 1.952 3.891 1.00 0.00 C ATOM 1205 O HIS A 81 8.082 1.939 3.864 1.00 0.00 O ATOM 1206 CB HIS A 81 6.353 1.551 6.310 1.00 0.00 C ATOM 1207 CG HIS A 81 7.642 1.037 6.874 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.701 0.061 7.846 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.925 1.369 6.597 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.965 -0.185 8.144 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.727 0.596 7.399 1.00 0.00 N ATOM 0 H HIS A 81 7.250 -0.487 4.122 1.00 0.00 H new ATOM 0 HA HIS A 81 5.017 1.177 4.670 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.366 2.641 6.329 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.532 1.231 6.951 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.256 2.105 5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.315 -0.902 8.872 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.747 0.621 7.417 1.00 0.00 H new ATOM 1220 N TYR A 82 6.118 2.707 3.081 1.00 0.00 N ATOM 1221 CA TYR A 82 6.730 3.581 2.088 1.00 0.00 C ATOM 1222 C TYR A 82 6.311 5.032 2.306 1.00 0.00 C ATOM 1223 O TYR A 82 5.125 5.361 2.267 1.00 0.00 O ATOM 1224 CB TYR A 82 6.345 3.134 0.677 1.00 0.00 C ATOM 1225 CG TYR A 82 6.962 3.979 -0.415 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.598 5.309 -0.581 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.908 3.446 -1.282 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.158 6.084 -1.578 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.474 4.214 -2.281 1.00 0.00 C ATOM 1230 CZ TYR A 82 8.096 5.532 -2.425 1.00 0.00 C ATOM 1231 OH TYR A 82 8.657 6.300 -3.419 1.00 0.00 O ATOM 0 H TYR A 82 5.098 2.731 3.093 1.00 0.00 H new ATOM 0 HA TYR A 82 7.812 3.514 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.649 2.097 0.538 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.260 3.164 0.579 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.864 5.745 0.081 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.206 2.414 -1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.863 7.116 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.209 3.784 -2.946 1.00 0.00 H new ATOM 0 HH TYR A 82 9.299 5.761 -3.926 1.00 0.00 H new ATOM 1241 N THR A 83 7.294 5.897 2.536 1.00 0.00 N ATOM 1242 CA THR A 83 7.029 7.312 2.761 1.00 0.00 C ATOM 1243 C THR A 83 6.882 8.061 1.442 1.00 0.00 C ATOM 1244 O THR A 83 7.850 8.231 0.701 1.00 0.00 O ATOM 1245 CB THR A 83 8.151 7.969 3.588 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.468 7.151 4.720 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.736 9.355 4.059 1.00 0.00 C ATOM 0 H THR A 83 8.281 5.642 2.571 1.00 0.00 H new ATOM 0 HA THR A 83 6.093 7.373 3.317 1.00 0.00 H new ATOM 0 HB THR A 83 9.031 8.067 2.952 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.768 7.248 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.544 9.799 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.523 9.984 3.195 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.843 9.276 4.679 1.00 0.00 H new ATOM 1255 N VAL A 84 5.664 8.507 1.153 1.00 0.00 N ATOM 1256 CA VAL A 84 5.390 9.240 -0.078 1.00 0.00 C ATOM 1257 C VAL A 84 5.767 10.710 0.063 1.00 0.00 C ATOM 1258 O VAL A 84 5.315 11.394 0.981 1.00 0.00 O ATOM 1259 CB VAL A 84 3.904 9.138 -0.473 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.633 9.935 -1.740 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.499 7.683 -0.651 1.00 0.00 C ATOM 0 H VAL A 84 4.851 8.374 1.754 1.00 0.00 H new ATOM 0 HA VAL A 84 5.998 8.785 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 84 3.302 9.563 0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.579 9.851 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.883 10.982 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.243 9.543 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.447 7.630 -0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.105 7.230 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.654 7.145 0.284 1.00 0.00 H new ATOM 1271 N HIS A 85 6.600 11.192 -0.855 1.00 0.00 N ATOM 1272 CA HIS A 85 7.038 12.583 -0.834 1.00 0.00 C ATOM 1273 C HIS A 85 6.469 13.350 -2.024 1.00 0.00 C ATOM 1274 O HIS A 85 6.349 12.810 -3.123 1.00 0.00 O ATOM 1275 CB HIS A 85 8.566 12.659 -0.847 1.00 0.00 C ATOM 1276 CG HIS A 85 9.196 12.261 0.452 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.220 12.973 1.041 1.00 0.00 N ATOM 1278 CD2 HIS A 85 8.941 11.219 1.277 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.568 12.385 2.171 1.00 0.00 C ATOM 1280 NE2 HIS A 85 9.807 11.318 2.338 1.00 0.00 N ATOM 0 H HIS A 85 6.985 10.640 -1.622 1.00 0.00 H new ATOM 0 HA HIS A 85 6.666 13.041 0.083 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.947 12.014 -1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.869 13.677 -1.092 1.00 0.00 H new ATOM 0 HD1 HIS A 85 10.642 13.821 0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 85 8.195 10.452 1.129 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.343 12.720 2.844 1.00 0.00 H new ATOM 1289 N GLY A 86 6.120 14.612 -1.797 1.00 0.00 N ATOM 1290 CA GLY A 86 5.567 15.432 -2.859 1.00 0.00 C ATOM 1291 C GLY A 86 4.056 15.529 -2.789 1.00 0.00 C ATOM 1292 O GLY A 86 3.373 15.445 -3.811 1.00 0.00 O ATOM 0 H GLY A 86 6.210 15.082 -0.896 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.995 16.433 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.857 15.016 -3.824 1.00 0.00 H new ATOM 1296 N LEU A 87 3.531 15.705 -1.582 1.00 0.00 N ATOM 1297 CA LEU A 87 2.090 15.811 -1.382 1.00 0.00 C ATOM 1298 C LEU A 87 1.691 17.246 -1.049 1.00 0.00 C ATOM 1299 O LEU A 87 2.539 18.134 -0.976 1.00 0.00 O ATOM 1300 CB LEU A 87 1.639 14.872 -0.262 1.00 0.00 C ATOM 1301 CG LEU A 87 2.030 13.402 -0.422 1.00 0.00 C ATOM 1302 CD1 LEU A 87 1.914 12.672 0.907 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.164 12.732 -1.478 1.00 0.00 C ATOM 0 H LEU A 87 4.082 15.777 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 87 1.597 15.521 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.051 15.237 0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.554 14.932 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 87 3.069 13.355 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.196 11.628 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.577 13.137 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.886 12.728 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.456 11.687 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.117 12.789 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.297 13.239 -2.433 1.00 0.00 H new ATOM 1315 N GLN A 88 0.395 17.462 -0.846 1.00 0.00 N ATOM 1316 CA GLN A 88 -0.115 18.788 -0.519 1.00 0.00 C ATOM 1317 C GLN A 88 -0.475 18.884 0.960 1.00 0.00 C ATOM 1318 O GLN A 88 -1.037 17.950 1.533 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.339 19.113 -1.377 1.00 0.00 C ATOM 1320 CG GLN A 88 -1.087 18.985 -2.870 1.00 0.00 C ATOM 1321 CD GLN A 88 0.119 19.781 -3.328 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.264 20.957 -2.995 1.00 0.00 O ATOM 1323 NE2 GLN A 88 0.993 19.141 -4.097 1.00 0.00 N ATOM 0 H GLN A 88 -0.320 16.737 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 88 0.670 19.514 -0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.156 18.448 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.666 20.129 -1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.941 17.934 -3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.969 19.323 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.833 18.166 -4.348 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.824 19.625 -4.436 1.00 0.00 H new ATOM 1332 N SER A 89 -0.148 20.017 1.572 1.00 0.00 N ATOM 1333 CA SER A 89 -0.433 20.233 2.985 1.00 0.00 C ATOM 1334 C SER A 89 -1.935 20.357 3.224 1.00 0.00 C ATOM 1335 O SER A 89 -2.659 20.929 2.409 1.00 0.00 O ATOM 1336 CB SER A 89 0.280 21.490 3.486 1.00 0.00 C ATOM 1337 OG SER A 89 0.062 22.583 2.610 1.00 0.00 O ATOM 0 H SER A 89 0.315 20.800 1.111 1.00 0.00 H new ATOM 0 HA SER A 89 -0.064 19.370 3.540 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.079 21.742 4.484 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.349 21.296 3.571 1.00 0.00 H new ATOM 0 HG SER A 89 0.527 23.375 2.953 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.397 19.816 4.347 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.809 19.876 4.674 1.00 0.00 C ATOM 1345 C GLY A 90 -4.690 19.437 3.521 1.00 0.00 C ATOM 1346 O GLY A 90 -5.488 20.221 3.004 1.00 0.00 O ATOM 0 H GLY A 90 -1.818 19.337 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.006 19.243 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.070 20.895 4.959 1.00 0.00 H new ATOM 1350 N THR A 91 -4.546 18.180 3.113 1.00 0.00 N ATOM 1351 CA THR A 91 -5.332 17.638 2.012 1.00 0.00 C ATOM 1352 C THR A 91 -5.556 16.140 2.181 1.00 0.00 C ATOM 1353 O THR A 91 -4.691 15.427 2.691 1.00 0.00 O ATOM 1354 CB THR A 91 -4.649 17.894 0.655 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.277 19.272 0.546 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.573 17.520 -0.494 1.00 0.00 C ATOM 0 H THR A 91 -3.891 17.518 3.529 1.00 0.00 H new ATOM 0 HA THR A 91 -6.294 18.150 2.029 1.00 0.00 H new ATOM 0 HB THR A 91 -3.756 17.272 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.990 19.462 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.070 17.709 -1.442 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.831 16.463 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.482 18.119 -0.440 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.721 15.668 1.750 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.058 14.254 1.855 1.00 0.00 C ATOM 1366 C ARG A 92 -6.253 13.427 0.856 1.00 0.00 C ATOM 1367 O ARG A 92 -6.015 13.858 -0.272 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.555 14.045 1.615 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.432 14.600 2.725 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.848 14.052 2.644 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.742 14.700 3.600 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.171 15.951 3.474 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -11.789 16.685 2.438 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -12.983 16.470 4.385 1.00 0.00 N ATOM 0 H ARG A 92 -7.447 16.244 1.325 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.808 13.921 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.833 14.518 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.752 12.978 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.998 14.348 3.693 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.458 15.688 2.660 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.234 14.193 1.634 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.832 12.979 2.833 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.054 14.163 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.164 16.289 1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.120 17.645 2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.279 15.909 5.184 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.312 17.431 4.287 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.836 12.239 1.280 1.00 0.00 N ATOM 1389 CA TYR A 93 -5.055 11.354 0.424 1.00 0.00 C ATOM 1390 C TYR A 93 -5.442 9.896 0.651 1.00 0.00 C ATOM 1391 O TYR A 93 -5.388 9.396 1.776 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.560 11.544 0.687 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.937 12.652 -0.131 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.904 13.958 0.343 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.383 12.394 -1.379 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.336 14.974 -0.401 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.812 13.403 -2.129 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.791 14.691 -1.637 1.00 0.00 C ATOM 1399 OH TYR A 93 -1.225 15.700 -2.382 1.00 0.00 O ATOM 0 H TYR A 93 -6.026 11.867 2.211 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.270 11.611 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.410 11.757 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.041 10.610 0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.330 14.183 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.399 11.387 -1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.319 15.984 -0.018 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.384 13.184 -3.096 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.887 15.333 -3.226 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.830 9.219 -0.424 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.224 7.818 -0.343 1.00 0.00 C ATOM 1411 C ILE A 94 -5.083 6.901 -0.771 1.00 0.00 C ATOM 1412 O ILE A 94 -4.437 7.131 -1.793 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.457 7.528 -1.220 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.672 8.299 -0.699 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.745 6.035 -1.252 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.912 8.114 -1.545 1.00 0.00 C ATOM 0 H ILE A 94 -5.880 9.618 -1.361 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.475 7.620 0.699 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.248 7.860 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.886 7.978 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.427 9.360 -0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.619 5.846 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.885 5.507 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.938 5.680 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.733 8.689 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.716 8.462 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.182 7.058 -1.569 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.842 5.858 0.017 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.780 4.904 -0.280 1.00 0.00 C ATOM 1430 C PHE A 95 -4.343 3.495 -0.440 1.00 0.00 C ATOM 1431 O PHE A 95 -5.272 3.103 0.268 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.725 4.922 0.828 1.00 0.00 C ATOM 1433 CG PHE A 95 -1.978 6.221 0.924 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.458 7.255 1.713 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.797 6.410 0.226 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.773 8.452 1.804 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.107 7.604 0.313 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.596 8.627 1.102 1.00 0.00 C ATOM 0 H PHE A 95 -5.368 5.652 0.866 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.314 5.198 -1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.209 4.719 1.783 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.013 4.115 0.654 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.378 7.124 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.411 5.615 -0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.157 9.249 2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.814 7.737 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.059 9.562 1.170 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.776 2.740 -1.374 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.220 1.375 -1.626 1.00 0.00 C ATOM 1450 C ILE A 96 -3.051 0.481 -2.023 1.00 0.00 C ATOM 1451 O ILE A 96 -2.483 0.628 -3.106 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.289 1.327 -2.734 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.589 1.968 -2.246 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.532 -0.110 -3.173 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.489 2.438 -3.368 1.00 0.00 C ATOM 0 H ILE A 96 -3.008 3.050 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.655 1.008 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.927 1.893 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.132 1.248 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.348 2.816 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.290 -0.128 -3.956 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.604 -0.535 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.876 -0.697 -2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.392 2.882 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.964 3.181 -3.968 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.760 1.590 -3.997 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.697 -0.448 -1.141 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.596 -1.369 -1.401 1.00 0.00 C ATOM 1469 C VAL A 97 -2.064 -2.568 -2.219 1.00 0.00 C ATOM 1470 O VAL A 97 -3.024 -3.247 -1.854 1.00 0.00 O ATOM 1471 CB VAL A 97 -0.965 -1.873 -0.089 1.00 0.00 C ATOM 1472 CG1 VAL A 97 0.057 -2.964 -0.373 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.328 -0.720 0.671 1.00 0.00 C ATOM 0 H VAL A 97 -3.156 -0.583 -0.240 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.847 -0.816 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.752 -2.299 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.492 -3.308 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.432 -3.799 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.844 -2.567 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.113 -1.093 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.448 -0.264 0.057 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.088 0.025 0.907 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.380 -2.822 -3.329 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.723 -3.940 -4.201 1.00 0.00 C ATOM 1485 C LYS A 98 -0.563 -4.925 -4.304 1.00 0.00 C ATOM 1486 O LYS A 98 0.486 -4.606 -4.862 1.00 0.00 O ATOM 1487 CB LYS A 98 -2.099 -3.430 -5.594 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.440 -4.538 -6.576 1.00 0.00 C ATOM 1489 CD LYS A 98 -3.279 -4.020 -7.732 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.406 -3.508 -8.868 1.00 0.00 C ATOM 1491 NZ LYS A 98 -3.178 -2.668 -9.825 1.00 0.00 N ATOM 0 H LYS A 98 -0.584 -2.269 -3.647 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.579 -4.458 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.952 -2.757 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.271 -2.844 -5.993 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.521 -4.979 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -2.981 -5.330 -6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.926 -4.817 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.929 -3.218 -7.381 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -1.581 -2.926 -8.458 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.967 -4.353 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.522 -2.086 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.725 -3.281 -10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.827 -2.049 -9.298 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.761 -6.123 -3.765 1.00 0.00 N ATOM 1506 CA ALA A 99 0.267 -7.156 -3.801 1.00 0.00 C ATOM 1507 C ALA A 99 0.244 -7.909 -5.127 1.00 0.00 C ATOM 1508 O ALA A 99 -0.812 -8.346 -5.584 1.00 0.00 O ATOM 1509 CB ALA A 99 0.085 -8.122 -2.640 1.00 0.00 C ATOM 0 H ALA A 99 -1.624 -6.402 -3.298 1.00 0.00 H new ATOM 0 HA ALA A 99 1.238 -6.670 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.859 -8.888 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 99 0.160 -7.578 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -0.895 -8.593 -2.709 1.00 0.00 H new ATOM 1515 N ILE A 100 1.414 -8.056 -5.739 1.00 0.00 N ATOM 1516 CA ILE A 100 1.527 -8.756 -7.012 1.00 0.00 C ATOM 1517 C ILE A 100 2.461 -9.956 -6.899 1.00 0.00 C ATOM 1518 O ILE A 100 3.509 -9.881 -6.258 1.00 0.00 O ATOM 1519 CB ILE A 100 2.040 -7.823 -8.125 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.127 -6.603 -8.259 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.129 -8.572 -9.446 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.510 -5.458 -7.347 1.00 0.00 C ATOM 0 H ILE A 100 2.297 -7.700 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 100 0.526 -9.101 -7.272 1.00 0.00 H new ATOM 0 HB ILE A 100 3.039 -7.478 -7.857 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.147 -6.256 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.101 -6.902 -8.043 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.493 -7.899 -10.222 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.816 -9.412 -9.343 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.142 -8.943 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.820 -4.628 -7.496 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.462 -5.788 -6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.524 -5.132 -7.578 1.00 0.00 H new ATOM 1534 N ASN A 101 2.075 -11.061 -7.527 1.00 0.00 N ATOM 1535 CA ASN A 101 2.879 -12.278 -7.498 1.00 0.00 C ATOM 1536 C ASN A 101 2.830 -12.995 -8.844 1.00 0.00 C ATOM 1537 O ASN A 101 2.080 -12.604 -9.739 1.00 0.00 O ATOM 1538 CB ASN A 101 2.388 -13.212 -6.391 1.00 0.00 C ATOM 1539 CG ASN A 101 1.034 -13.820 -6.706 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.200 -13.198 -7.363 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.811 -15.042 -6.236 1.00 0.00 N ATOM 0 H ASN A 101 1.210 -11.140 -8.062 1.00 0.00 H new ATOM 0 HA ASN A 101 3.912 -11.996 -7.294 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.116 -14.010 -6.243 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.326 -12.659 -5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.081 -15.502 -6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.532 -15.520 -5.696 1.00 0.00 H new ATOM 1548 N GLN A 102 3.633 -14.045 -8.978 1.00 0.00 N ATOM 1549 CA GLN A 102 3.680 -14.817 -10.215 1.00 0.00 C ATOM 1550 C GLN A 102 2.274 -15.164 -10.694 1.00 0.00 C ATOM 1551 O GLN A 102 2.026 -15.270 -11.894 1.00 0.00 O ATOM 1552 CB GLN A 102 4.493 -16.097 -10.011 1.00 0.00 C ATOM 1553 CG GLN A 102 4.436 -17.048 -11.195 1.00 0.00 C ATOM 1554 CD GLN A 102 5.171 -18.348 -10.935 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.627 -18.605 -9.820 1.00 0.00 O ATOM 1556 NE2 GLN A 102 5.292 -19.177 -11.966 1.00 0.00 N ATOM 0 H GLN A 102 4.259 -14.381 -8.247 1.00 0.00 H new ATOM 0 HA GLN A 102 4.163 -14.206 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.532 -15.831 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.127 -16.613 -9.123 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.394 -17.265 -11.432 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.867 -16.560 -12.069 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.899 -18.924 -12.873 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.778 -20.066 -11.851 1.00 0.00 H new ATOM 1565 N ALA A 103 1.358 -15.340 -9.747 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.023 -15.674 -10.073 1.00 0.00 C ATOM 1567 C ALA A 103 -0.772 -14.455 -10.599 1.00 0.00 C ATOM 1568 O ALA A 103 -1.060 -14.358 -11.791 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.730 -16.245 -8.853 1.00 0.00 C ATOM 0 H ALA A 103 1.547 -15.257 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.013 -16.429 -10.859 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.760 -16.490 -9.111 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.214 -17.147 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.722 -15.508 -8.050 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.087 -13.526 -9.701 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.801 -12.326 -10.094 1.00 0.00 C ATOM 1577 C GLY A 104 -1.581 -11.177 -9.130 1.00 0.00 C ATOM 1578 O GLY A 104 -0.451 -10.908 -8.723 1.00 0.00 O ATOM 0 H GLY A 104 -0.860 -13.584 -8.708 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.479 -12.026 -11.091 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.867 -12.545 -10.156 1.00 0.00 H new ATOM 1582 N SER A 105 -2.663 -10.498 -8.764 1.00 0.00 N ATOM 1583 CA SER A 105 -2.582 -9.368 -7.846 1.00 0.00 C ATOM 1584 C SER A 105 -3.901 -9.176 -7.103 1.00 0.00 C ATOM 1585 O SER A 105 -4.957 -9.596 -7.574 1.00 0.00 O ATOM 1586 CB SER A 105 -2.220 -8.090 -8.606 1.00 0.00 C ATOM 1587 OG SER A 105 -2.130 -6.982 -7.727 1.00 0.00 O ATOM 0 H SER A 105 -3.606 -10.711 -9.089 1.00 0.00 H new ATOM 0 HA SER A 105 -1.801 -9.580 -7.116 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.270 -8.227 -9.122 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.972 -7.892 -9.370 1.00 0.00 H new ATOM 0 HG SER A 105 -1.675 -7.254 -6.903 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.830 -8.537 -5.940 1.00 0.00 N ATOM 1594 CA ARG A 106 -5.017 -8.289 -5.131 1.00 0.00 C ATOM 1595 C ARG A 106 -4.972 -6.895 -4.512 1.00 0.00 C ATOM 1596 O ARG A 106 -4.129 -6.610 -3.662 1.00 0.00 O ATOM 1597 CB ARG A 106 -5.139 -9.344 -4.030 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.394 -9.200 -3.184 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.552 -9.995 -3.766 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.804 -9.735 -3.060 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.873 -10.517 -3.148 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.844 -11.603 -3.908 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.976 -10.214 -2.475 1.00 0.00 N ATOM 0 H ARG A 106 -2.963 -8.182 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.889 -8.350 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.130 -10.334 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.265 -9.283 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.191 -9.541 -2.169 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.671 -8.148 -3.117 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.671 -9.743 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.322 -11.059 -3.716 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.860 -8.907 -2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.999 -11.840 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.667 -12.202 -3.973 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -11.003 -9.379 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.797 -10.816 -2.544 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.885 -6.031 -4.944 1.00 0.00 N ATOM 1618 CA ASN A 107 -5.948 -4.667 -4.433 1.00 0.00 C ATOM 1619 C ASN A 107 -6.661 -4.624 -3.084 1.00 0.00 C ATOM 1620 O ASN A 107 -7.707 -5.247 -2.903 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.668 -3.759 -5.432 1.00 0.00 C ATOM 1622 CG ASN A 107 -8.177 -3.895 -5.354 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -8.768 -4.751 -6.012 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -8.806 -3.049 -4.548 1.00 0.00 N ATOM 0 H ASN A 107 -6.591 -6.251 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.928 -4.309 -4.296 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.389 -2.722 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.336 -3.999 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.821 -3.092 -4.455 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.275 -2.355 -4.022 1.00 0.00 H new ATOM 1631 N SER A 108 -6.087 -3.883 -2.141 1.00 0.00 N ATOM 1632 CA SER A 108 -6.665 -3.761 -0.808 1.00 0.00 C ATOM 1633 C SER A 108 -7.684 -2.626 -0.760 1.00 0.00 C ATOM 1634 O SER A 108 -7.912 -1.941 -1.756 1.00 0.00 O ATOM 1635 CB SER A 108 -5.565 -3.518 0.227 1.00 0.00 C ATOM 1636 OG SER A 108 -6.036 -3.768 1.540 1.00 0.00 O ATOM 0 H SER A 108 -5.223 -3.358 -2.276 1.00 0.00 H new ATOM 0 HA SER A 108 -7.176 -4.695 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.712 -4.163 0.014 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.213 -2.489 0.153 1.00 0.00 H new ATOM 0 HG SER A 108 -5.682 -4.625 1.857 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.293 -2.436 0.406 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.288 -1.385 0.585 1.00 0.00 C ATOM 1644 C GLU A 109 -8.623 -0.014 0.663 1.00 0.00 C ATOM 1645 O GLU A 109 -7.484 0.128 1.106 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.109 -1.639 1.851 1.00 0.00 C ATOM 1647 CG GLU A 109 -11.108 -2.775 1.711 1.00 0.00 C ATOM 1648 CD GLU A 109 -12.223 -2.700 2.736 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -11.914 -2.569 3.939 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -13.404 -2.773 2.336 1.00 0.00 O ATOM 0 H GLU A 109 -8.115 -2.995 1.240 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.953 -1.399 -0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.431 -1.862 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.644 -0.727 2.116 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.538 -2.755 0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.587 -3.727 1.815 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.352 1.022 0.221 1.00 0.00 N ATOM 1658 CA PRO A 110 -8.854 2.401 0.230 1.00 0.00 C ATOM 1659 C PRO A 110 -8.731 2.964 1.641 1.00 0.00 C ATOM 1660 O PRO A 110 -9.711 3.025 2.385 1.00 0.00 O ATOM 1661 CB PRO A 110 -9.918 3.167 -0.561 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.161 2.362 -0.402 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.718 0.927 -0.321 1.00 0.00 C ATOM 0 HA PRO A 110 -7.852 2.475 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.048 4.177 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.639 3.262 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.703 2.654 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.836 2.515 -1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.368 0.342 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.730 0.447 -1.300 1.00 0.00 H new ATOM 1671 N THR A 111 -7.520 3.375 2.006 1.00 0.00 N ATOM 1672 CA THR A 111 -7.269 3.932 3.329 1.00 0.00 C ATOM 1673 C THR A 111 -7.220 5.455 3.285 1.00 0.00 C ATOM 1674 O THR A 111 -6.268 6.040 2.767 1.00 0.00 O ATOM 1675 CB THR A 111 -5.947 3.404 3.919 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.009 1.981 4.064 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.664 4.045 5.270 1.00 0.00 C ATOM 0 H THR A 111 -6.698 3.332 1.403 1.00 0.00 H new ATOM 0 HA THR A 111 -8.095 3.616 3.966 1.00 0.00 H new ATOM 0 HB THR A 111 -5.139 3.664 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.316 1.757 4.967 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.726 3.657 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.589 5.126 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.475 3.812 5.960 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.251 6.091 3.830 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.325 7.547 3.852 1.00 0.00 C ATOM 1687 C ARG A 112 -7.364 8.126 4.886 1.00 0.00 C ATOM 1688 O ARG A 112 -7.350 7.700 6.042 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.754 8.002 4.156 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.652 8.049 2.931 1.00 0.00 C ATOM 1691 CD ARG A 112 -10.598 9.408 2.252 1.00 0.00 C ATOM 1692 NE ARG A 112 -11.327 10.425 3.004 1.00 0.00 N ATOM 1693 CZ ARG A 112 -12.653 10.508 3.034 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.390 9.638 2.357 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -13.244 11.462 3.741 1.00 0.00 N ATOM 0 H ARG A 112 -9.047 5.621 4.262 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.036 7.915 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.192 7.327 4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.722 8.992 4.611 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.347 7.276 2.225 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.679 7.827 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -9.558 9.716 2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.017 9.329 1.249 1.00 0.00 H new ATOM 0 HE ARG A 112 -10.789 11.109 3.536 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.939 8.903 1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.408 9.704 2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.681 12.133 4.263 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -14.262 11.524 3.763 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.562 9.097 4.464 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.597 9.733 5.353 1.00 0.00 C ATOM 1711 C LEU A 113 -5.510 11.231 5.079 1.00 0.00 C ATOM 1712 O LEU A 113 -5.544 11.666 3.928 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.219 9.092 5.186 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.129 7.600 5.509 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.738 7.069 5.199 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.485 7.348 6.967 1.00 0.00 C ATOM 0 H LEU A 113 -6.561 9.461 3.511 1.00 0.00 H new ATOM 0 HA LEU A 113 -5.936 9.588 6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.894 9.241 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.513 9.624 5.823 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.846 7.069 4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.693 6.006 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.520 7.215 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.002 7.605 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.416 6.281 7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -3.793 7.892 7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.502 7.691 7.158 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.396 12.017 6.145 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.300 13.466 6.020 1.00 0.00 C ATOM 1730 C LYS A 114 -3.971 13.973 6.572 1.00 0.00 C ATOM 1731 O LYS A 114 -3.530 13.552 7.643 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.460 14.140 6.757 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.687 14.356 5.889 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.506 15.544 6.366 1.00 0.00 C ATOM 1735 CE LYS A 114 -7.812 16.861 6.053 1.00 0.00 C ATOM 1736 NZ LYS A 114 -6.898 17.281 7.151 1.00 0.00 N ATOM 0 H LYS A 114 -5.368 11.674 7.105 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.354 13.719 4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.736 13.530 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.124 15.102 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.379 14.517 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.305 13.458 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.486 15.526 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.672 15.465 7.440 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.246 16.762 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.561 17.636 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.035 18.293 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.107 16.729 8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.912 17.115 6.865 1.00 0.00 H new ATOM 1750 N THR A 115 -3.337 14.881 5.836 1.00 0.00 N ATOM 1751 CA THR A 115 -2.059 15.445 6.252 1.00 0.00 C ATOM 1752 C THR A 115 -2.256 16.555 7.278 1.00 0.00 C ATOM 1753 O THR A 115 -3.368 17.045 7.470 1.00 0.00 O ATOM 1754 CB THR A 115 -1.274 16.004 5.051 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.116 16.862 4.272 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.745 14.877 4.178 1.00 0.00 C ATOM 0 H THR A 115 -3.688 15.241 4.949 1.00 0.00 H new ATOM 0 HA THR A 115 -1.488 14.634 6.704 1.00 0.00 H new ATOM 0 HB THR A 115 -0.427 16.575 5.433 1.00 0.00 H new ATOM 0 HG1 THR A 115 -1.648 17.121 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.194 15.297 3.336 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.082 14.242 4.766 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.580 14.283 3.805 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.169 16.948 7.934 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.223 18.002 8.941 1.00 0.00 C ATOM 1766 C ASN A 116 -1.221 19.380 8.287 1.00 0.00 C ATOM 1767 O ASN A 116 -0.492 19.620 7.324 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.039 17.879 9.902 1.00 0.00 C ATOM 1769 CG ASN A 116 -0.133 16.646 10.781 1.00 0.00 C ATOM 1770 OD1 ASN A 116 -0.304 16.748 11.995 1.00 0.00 O ATOM 1771 ND2 ASN A 116 -0.020 15.473 10.168 1.00 0.00 N ATOM 0 H ASN A 116 -0.240 16.553 7.787 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.151 17.887 9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 116 0.888 17.844 9.330 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.008 18.768 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.074 14.609 10.707 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.121 15.437 9.158 1.00 0.00 H new