USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 54 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.68) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0.627 (180deg=0.627) USER MOD Set 2.2: A 55 MET CE :methyl -134:sc= -2.66 (180deg=-9.32!) USER MOD Set 3.1: A 25 GLN : amide:sc= 0.333 K(o=-1.7,f=-3.8) USER MOD Set 3.2: A 88 GLN : amide:sc= -2.07 K(o=-1.7,f=-3.9!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.53 K(o=-1.5,f=-6.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 76:sc= 1.3 USER MOD Single : A 31 GLN : amide:sc= -5.06! C(o=-5.1!,f=-9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.00672 (180deg=-0.104) USER MOD Single : A 37 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.089) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 41 SER OG : rot 180:sc= -0.0592 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= -0.0165 (180deg=-0.168) USER MOD Single : A 44 MET CE :methyl -151:sc= -0.134 (180deg=-1.75) USER MOD Single : A 47 TYR OH : rot 179:sc= 0.621 USER MOD Single : A 48 CYS SG : rot 160:sc= -3.29! USER MOD Single : A 51 GLN : amide:sc= -3.98 K(o=-4,f=-6.9!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 68 ASN :FLIP amide:sc= -2.5! C(o=-4.8!,f=-2.5!) USER MOD Single : A 70 THR OG1 : rot -38:sc= 0.473 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.685 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 MET CE :methyl 179:sc= -1.23 (180deg=-1.25) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 242 N HIS A 17 -2.998 12.979 7.990 1.00 0.00 N ATOM 243 CA HIS A 17 -2.892 11.572 7.657 1.00 0.00 C ATOM 244 C HIS A 17 -4.241 11.017 7.235 1.00 0.00 C ATOM 245 O HIS A 17 -5.286 11.487 7.688 1.00 0.00 O ATOM 246 CB HIS A 17 -2.336 10.770 8.856 1.00 0.00 C ATOM 247 CG HIS A 17 -3.315 10.559 9.985 1.00 0.00 C ATOM 248 ND1 HIS A 17 -3.543 11.493 10.978 1.00 0.00 N ATOM 249 CD2 HIS A 17 -4.129 9.507 10.269 1.00 0.00 C ATOM 250 CE1 HIS A 17 -4.448 11.026 11.817 1.00 0.00 C ATOM 251 NE2 HIS A 17 -4.821 9.826 11.412 1.00 0.00 N ATOM 0 HA HIS A 17 -2.200 11.473 6.821 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.999 9.797 8.499 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.459 11.287 9.246 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.215 8.592 9.702 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.822 11.540 12.690 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.511 9.232 11.873 1.00 0.00 H new ATOM 260 N ILE A 18 -4.222 10.018 6.382 1.00 0.00 N ATOM 261 CA ILE A 18 -5.439 9.379 5.913 1.00 0.00 C ATOM 262 C ILE A 18 -5.284 7.871 5.931 1.00 0.00 C ATOM 263 O ILE A 18 -4.177 7.349 6.100 1.00 0.00 O ATOM 264 CB ILE A 18 -5.816 9.825 4.486 1.00 0.00 C ATOM 265 CG1 ILE A 18 -4.605 9.715 3.554 1.00 0.00 C ATOM 266 CG2 ILE A 18 -6.374 11.239 4.495 1.00 0.00 C ATOM 267 CD1 ILE A 18 -4.933 9.936 2.097 1.00 0.00 C ATOM 0 H ILE A 18 -3.366 9.623 5.992 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.237 9.683 6.590 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.595 9.162 4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.854 10.443 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.158 8.728 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.634 11.534 3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.265 11.275 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.624 11.924 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.025 9.842 1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.660 9.192 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.351 10.934 1.966 1.00 0.00 H new ATOM 279 N ASN A 19 -6.379 7.166 5.765 1.00 0.00 N ATOM 280 CA ASN A 19 -6.352 5.717 5.773 1.00 0.00 C ATOM 281 C ASN A 19 -6.522 5.181 4.369 1.00 0.00 C ATOM 282 O ASN A 19 -7.549 5.397 3.731 1.00 0.00 O ATOM 283 CB ASN A 19 -7.454 5.145 6.684 1.00 0.00 C ATOM 284 CG ASN A 19 -8.116 6.192 7.558 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.610 6.554 8.617 1.00 0.00 O ATOM 286 ND2 ASN A 19 -9.266 6.660 7.135 1.00 0.00 N ATOM 0 H ASN A 19 -7.304 7.572 5.622 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.384 5.404 6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.213 4.665 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.024 4.371 7.320 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.772 7.349 7.691 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.654 6.335 6.250 1.00 0.00 H new ATOM 293 N LEU A 20 -5.511 4.501 3.876 1.00 0.00 N ATOM 294 CA LEU A 20 -5.557 3.906 2.557 1.00 0.00 C ATOM 295 C LEU A 20 -5.680 2.408 2.693 1.00 0.00 C ATOM 296 O LEU A 20 -4.951 1.780 3.460 1.00 0.00 O ATOM 297 CB LEU A 20 -4.304 4.251 1.729 1.00 0.00 C ATOM 298 CG LEU A 20 -4.115 5.723 1.345 1.00 0.00 C ATOM 299 CD1 LEU A 20 -5.414 6.322 0.838 1.00 0.00 C ATOM 300 CD2 LEU A 20 -3.560 6.526 2.507 1.00 0.00 C ATOM 0 H LEU A 20 -4.636 4.345 4.376 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.422 4.311 2.032 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.426 3.931 2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.329 3.661 0.813 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.387 5.766 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.254 7.367 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.750 5.771 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.173 6.258 1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.437 7.566 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.250 6.472 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.594 6.117 2.803 1.00 0.00 H new ATOM 312 N LYS A 21 -6.596 1.829 1.975 1.00 0.00 N ATOM 313 CA LYS A 21 -6.803 0.410 2.053 1.00 0.00 C ATOM 314 C LYS A 21 -6.390 -0.273 0.772 1.00 0.00 C ATOM 315 O LYS A 21 -6.625 0.225 -0.315 1.00 0.00 O ATOM 316 CB LYS A 21 -8.249 0.112 2.385 1.00 0.00 C ATOM 317 CG LYS A 21 -8.628 -1.348 2.265 1.00 0.00 C ATOM 318 CD LYS A 21 -9.921 -1.621 2.981 1.00 0.00 C ATOM 319 CE LYS A 21 -11.025 -0.689 2.488 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.351 -1.038 3.048 1.00 0.00 N ATOM 0 H LYS A 21 -7.214 2.317 1.327 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.175 0.015 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.452 0.445 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.889 0.697 1.724 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.724 -1.619 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.837 -1.970 2.683 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.217 -2.658 2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.782 -1.490 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.778 0.337 2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.071 -0.729 1.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.067 -0.377 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.602 -2.008 2.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.317 -0.974 4.086 1.00 0.00 H new ATOM 334 N VAL A 22 -5.793 -1.427 0.902 1.00 0.00 N ATOM 335 CA VAL A 22 -5.309 -2.164 -0.238 1.00 0.00 C ATOM 336 C VAL A 22 -6.108 -3.437 -0.414 1.00 0.00 C ATOM 337 O VAL A 22 -6.215 -4.240 0.505 1.00 0.00 O ATOM 338 CB VAL A 22 -3.819 -2.521 -0.086 1.00 0.00 C ATOM 339 CG1 VAL A 22 -3.305 -3.193 -1.340 1.00 0.00 C ATOM 340 CG2 VAL A 22 -3.001 -1.283 0.233 1.00 0.00 C ATOM 0 H VAL A 22 -5.628 -1.884 1.799 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.427 -1.527 -1.115 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.716 -3.219 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.250 -3.438 -1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.871 -4.107 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.423 -2.519 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.951 -1.557 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.109 -0.558 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.355 -0.844 1.166 1.00 0.00 H new ATOM 350 N ALA A 23 -6.655 -3.626 -1.595 1.00 0.00 N ATOM 351 CA ALA A 23 -7.472 -4.784 -1.885 1.00 0.00 C ATOM 352 C ALA A 23 -7.022 -5.446 -3.163 1.00 0.00 C ATOM 353 O ALA A 23 -7.053 -4.850 -4.246 1.00 0.00 O ATOM 354 CB ALA A 23 -8.939 -4.403 -1.970 1.00 0.00 C ATOM 0 H ALA A 23 -6.546 -2.983 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.352 -5.496 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.533 -5.290 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.260 -3.977 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -9.079 -3.668 -2.763 1.00 0.00 H new ATOM 360 N GLY A 24 -6.595 -6.671 -3.051 1.00 0.00 N ATOM 361 CA GLY A 24 -6.134 -7.388 -4.209 1.00 0.00 C ATOM 362 C GLY A 24 -7.168 -8.349 -4.725 1.00 0.00 C ATOM 363 O GLY A 24 -7.975 -8.872 -3.955 1.00 0.00 O ATOM 0 H GLY A 24 -6.556 -7.193 -2.176 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.874 -6.679 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.224 -7.934 -3.959 1.00 0.00 H new ATOM 367 N GLN A 25 -7.153 -8.603 -6.036 1.00 0.00 N ATOM 368 CA GLN A 25 -8.095 -9.544 -6.651 1.00 0.00 C ATOM 369 C GLN A 25 -7.944 -10.969 -6.089 1.00 0.00 C ATOM 370 O GLN A 25 -8.770 -11.838 -6.328 1.00 0.00 O ATOM 371 CB GLN A 25 -8.002 -9.539 -8.197 1.00 0.00 C ATOM 372 CG GLN A 25 -6.588 -9.493 -8.799 1.00 0.00 C ATOM 373 CD GLN A 25 -5.615 -10.467 -8.161 1.00 0.00 C ATOM 374 OE1 GLN A 25 -5.573 -11.643 -8.513 1.00 0.00 O ATOM 375 NE2 GLN A 25 -4.786 -9.966 -7.263 1.00 0.00 N ATOM 0 H GLN A 25 -6.501 -8.172 -6.691 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.092 -9.194 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.504 -10.431 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -8.560 -8.680 -8.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.651 -9.705 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.193 -8.482 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.854 -8.983 -6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.078 -10.562 -6.834 1.00 0.00 H new ATOM 384 N ASP A 26 -6.877 -11.187 -5.340 1.00 0.00 N ATOM 385 CA ASP A 26 -6.614 -12.464 -4.683 1.00 0.00 C ATOM 386 C ASP A 26 -7.591 -12.678 -3.530 1.00 0.00 C ATOM 387 O ASP A 26 -7.800 -13.795 -3.060 1.00 0.00 O ATOM 388 CB ASP A 26 -5.175 -12.466 -4.151 1.00 0.00 C ATOM 389 CG ASP A 26 -4.879 -13.626 -3.221 1.00 0.00 C ATOM 390 OD1 ASP A 26 -4.451 -14.694 -3.707 1.00 0.00 O ATOM 391 OD2 ASP A 26 -5.068 -13.470 -1.996 1.00 0.00 O ATOM 0 H ASP A 26 -6.162 -10.481 -5.167 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.744 -13.273 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.484 -12.500 -4.993 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.989 -11.530 -3.624 1.00 0.00 H new ATOM 396 N GLY A 27 -8.227 -11.604 -3.109 1.00 0.00 N ATOM 397 CA GLY A 27 -9.113 -11.664 -1.970 1.00 0.00 C ATOM 398 C GLY A 27 -8.460 -11.081 -0.742 1.00 0.00 C ATOM 399 O GLY A 27 -9.112 -10.819 0.265 1.00 0.00 O ATOM 0 H GLY A 27 -8.146 -10.682 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.031 -11.119 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.395 -12.699 -1.779 1.00 0.00 H new ATOM 403 N SER A 28 -7.161 -10.876 -0.827 1.00 0.00 N ATOM 404 CA SER A 28 -6.400 -10.304 0.258 1.00 0.00 C ATOM 405 C SER A 28 -6.601 -8.795 0.311 1.00 0.00 C ATOM 406 O SER A 28 -6.377 -8.092 -0.674 1.00 0.00 O ATOM 407 CB SER A 28 -4.921 -10.641 0.089 1.00 0.00 C ATOM 408 OG SER A 28 -4.704 -12.046 0.154 1.00 0.00 O ATOM 0 H SER A 28 -6.606 -11.102 -1.652 1.00 0.00 H new ATOM 0 HA SER A 28 -6.752 -10.728 1.198 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.565 -10.259 -0.868 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.341 -10.144 0.866 1.00 0.00 H new ATOM 0 HG SER A 28 -4.986 -12.460 -0.688 1.00 0.00 H new ATOM 414 N VAL A 29 -7.060 -8.302 1.445 1.00 0.00 N ATOM 415 CA VAL A 29 -7.274 -6.883 1.616 1.00 0.00 C ATOM 416 C VAL A 29 -6.949 -6.441 3.052 1.00 0.00 C ATOM 417 O VAL A 29 -7.300 -7.112 4.027 1.00 0.00 O ATOM 418 CB VAL A 29 -8.723 -6.480 1.210 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.749 -7.347 1.894 1.00 0.00 C ATOM 420 CG2 VAL A 29 -8.990 -5.016 1.485 1.00 0.00 C ATOM 0 H VAL A 29 -7.292 -8.867 2.262 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.589 -6.360 0.949 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.811 -6.640 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.749 -7.038 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.590 -8.389 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.652 -7.242 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.010 -4.770 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.862 -4.816 2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.290 -4.405 0.915 1.00 0.00 H new ATOM 430 N VAL A 30 -6.271 -5.302 3.170 1.00 0.00 N ATOM 431 CA VAL A 30 -5.822 -4.773 4.463 1.00 0.00 C ATOM 432 C VAL A 30 -5.906 -3.241 4.449 1.00 0.00 C ATOM 433 O VAL A 30 -5.789 -2.618 3.393 1.00 0.00 O ATOM 434 CB VAL A 30 -4.350 -5.198 4.801 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.966 -4.755 6.205 1.00 0.00 C ATOM 436 CG2 VAL A 30 -4.151 -6.703 4.655 1.00 0.00 C ATOM 0 H VAL A 30 -6.016 -4.717 2.374 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.477 -5.189 5.228 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.698 -4.700 4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.941 -5.061 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.043 -3.670 6.278 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.638 -5.216 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.120 -6.959 4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.824 -7.227 5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.367 -7.001 3.629 1.00 0.00 H new ATOM 446 N GLN A 31 -6.118 -2.634 5.607 1.00 0.00 N ATOM 447 CA GLN A 31 -6.220 -1.187 5.705 1.00 0.00 C ATOM 448 C GLN A 31 -4.997 -0.609 6.432 1.00 0.00 C ATOM 449 O GLN A 31 -4.490 -1.203 7.384 1.00 0.00 O ATOM 450 CB GLN A 31 -7.527 -0.801 6.412 1.00 0.00 C ATOM 451 CG GLN A 31 -7.748 0.700 6.556 1.00 0.00 C ATOM 452 CD GLN A 31 -7.106 1.294 7.813 1.00 0.00 C ATOM 453 OE1 GLN A 31 -6.668 2.437 7.814 1.00 0.00 O ATOM 454 NE2 GLN A 31 -7.073 0.533 8.892 1.00 0.00 N ATOM 0 H GLN A 31 -6.223 -3.124 6.495 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.238 -0.762 4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.364 -1.227 5.859 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.536 -1.254 7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.344 1.205 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.819 0.901 6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.446 -0.416 8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.674 0.894 9.759 1.00 0.00 H new ATOM 463 N PHE A 32 -4.521 0.547 5.974 1.00 0.00 N ATOM 464 CA PHE A 32 -3.316 1.175 6.547 1.00 0.00 C ATOM 465 C PHE A 32 -3.501 2.687 6.728 1.00 0.00 C ATOM 466 O PHE A 32 -4.046 3.367 5.866 1.00 0.00 O ATOM 467 CB PHE A 32 -2.096 0.941 5.637 1.00 0.00 C ATOM 468 CG PHE A 32 -1.892 -0.486 5.211 1.00 0.00 C ATOM 469 CD1 PHE A 32 -2.628 -1.012 4.163 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.965 -1.297 5.847 1.00 0.00 C ATOM 471 CE1 PHE A 32 -2.453 -2.307 3.759 1.00 0.00 C ATOM 472 CE2 PHE A 32 -0.785 -2.604 5.444 1.00 0.00 C ATOM 473 CZ PHE A 32 -1.531 -3.109 4.398 1.00 0.00 C ATOM 0 H PHE A 32 -4.945 1.073 5.210 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.152 0.714 7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.201 1.560 4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.201 1.281 6.158 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.351 -0.390 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.379 -0.903 6.664 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.037 -2.701 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.062 -3.231 5.946 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.393 -4.132 4.080 1.00 0.00 H new ATOM 483 N LYS A 33 -3.028 3.211 7.845 1.00 0.00 N ATOM 484 CA LYS A 33 -3.082 4.643 8.112 1.00 0.00 C ATOM 485 C LYS A 33 -1.702 5.262 7.976 1.00 0.00 C ATOM 486 O LYS A 33 -0.786 4.953 8.746 1.00 0.00 O ATOM 487 CB LYS A 33 -3.636 4.910 9.509 1.00 0.00 C ATOM 488 CG LYS A 33 -5.149 4.934 9.565 1.00 0.00 C ATOM 489 CD LYS A 33 -5.668 4.827 10.988 1.00 0.00 C ATOM 490 CE LYS A 33 -5.348 3.468 11.587 1.00 0.00 C ATOM 491 NZ LYS A 33 -6.011 3.267 12.895 1.00 0.00 N ATOM 0 H LYS A 33 -2.598 2.663 8.590 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.747 5.099 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.267 4.143 10.190 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.252 5.865 9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.514 5.857 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.547 4.111 8.971 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.223 5.611 11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.746 4.987 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.663 2.685 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.269 3.371 11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.766 2.328 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.692 3.998 13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.042 3.334 12.776 1.00 0.00 H new ATOM 505 N ILE A 34 -1.544 6.133 7.000 1.00 0.00 N ATOM 506 CA ILE A 34 -0.272 6.798 6.766 1.00 0.00 C ATOM 507 C ILE A 34 -0.477 8.291 6.580 1.00 0.00 C ATOM 508 O ILE A 34 -1.610 8.771 6.464 1.00 0.00 O ATOM 509 CB ILE A 34 0.475 6.235 5.525 1.00 0.00 C ATOM 510 CG1 ILE A 34 -0.379 6.390 4.261 1.00 0.00 C ATOM 511 CG2 ILE A 34 0.863 4.777 5.742 1.00 0.00 C ATOM 512 CD1 ILE A 34 0.346 6.015 2.984 1.00 0.00 C ATOM 0 H ILE A 34 -2.284 6.400 6.351 1.00 0.00 H new ATOM 0 HA ILE A 34 0.341 6.608 7.647 1.00 0.00 H new ATOM 0 HB ILE A 34 1.390 6.811 5.389 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.270 5.770 4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.717 7.424 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.385 4.404 4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.517 4.700 6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.035 4.183 5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.322 6.150 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.222 6.652 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.660 4.972 3.036 1.00 0.00 H new ATOM 524 N LYS A 35 0.607 9.033 6.554 1.00 0.00 N ATOM 525 CA LYS A 35 0.539 10.464 6.384 1.00 0.00 C ATOM 526 C LYS A 35 0.353 10.796 4.896 1.00 0.00 C ATOM 527 O LYS A 35 0.820 10.066 4.029 1.00 0.00 O ATOM 528 CB LYS A 35 1.817 11.106 6.947 1.00 0.00 C ATOM 529 CG LYS A 35 1.652 12.539 7.418 1.00 0.00 C ATOM 530 CD LYS A 35 1.741 13.537 6.280 1.00 0.00 C ATOM 531 CE LYS A 35 1.515 14.955 6.772 1.00 0.00 C ATOM 532 NZ LYS A 35 2.587 15.409 7.694 1.00 0.00 N ATOM 0 H LYS A 35 1.553 8.664 6.649 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.314 10.867 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.173 10.502 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.590 11.077 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.688 12.646 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.420 12.766 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.720 13.466 5.807 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.000 13.291 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.464 15.630 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.553 15.012 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.475 16.426 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.522 14.881 8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.515 15.238 7.258 1.00 0.00 H new ATOM 546 N ARG A 36 -0.329 11.900 4.607 1.00 0.00 N ATOM 547 CA ARG A 36 -0.624 12.319 3.230 1.00 0.00 C ATOM 548 C ARG A 36 0.644 12.481 2.379 1.00 0.00 C ATOM 549 O ARG A 36 0.600 12.361 1.160 1.00 0.00 O ATOM 550 CB ARG A 36 -1.383 13.636 3.238 1.00 0.00 C ATOM 551 CG ARG A 36 -1.995 14.015 1.899 1.00 0.00 C ATOM 552 CD ARG A 36 -3.461 13.646 1.846 1.00 0.00 C ATOM 553 NE ARG A 36 -4.217 14.321 2.897 1.00 0.00 N ATOM 554 CZ ARG A 36 -5.538 14.273 3.037 1.00 0.00 C ATOM 555 NH1 ARG A 36 -6.288 13.616 2.148 1.00 0.00 N ATOM 556 NH2 ARG A 36 -6.112 14.888 4.063 1.00 0.00 N ATOM 0 H ARG A 36 -0.695 12.534 5.317 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.230 11.530 2.784 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.176 13.580 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.706 14.430 3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.880 15.086 1.733 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.460 13.509 1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.870 13.913 0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.570 12.567 1.952 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.691 14.872 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.847 13.148 1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.301 13.583 2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.540 15.394 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.125 14.855 4.176 1.00 0.00 H new ATOM 570 N HIS A 37 1.778 12.743 3.007 1.00 0.00 N ATOM 571 CA HIS A 37 3.008 12.939 2.257 1.00 0.00 C ATOM 572 C HIS A 37 3.919 11.732 2.438 1.00 0.00 C ATOM 573 O HIS A 37 5.049 11.693 1.946 1.00 0.00 O ATOM 574 CB HIS A 37 3.715 14.235 2.688 1.00 0.00 C ATOM 575 CG HIS A 37 4.825 14.652 1.765 1.00 0.00 C ATOM 576 ND1 HIS A 37 5.951 15.316 2.189 1.00 0.00 N ATOM 577 CD2 HIS A 37 4.969 14.496 0.425 1.00 0.00 C ATOM 578 CE1 HIS A 37 6.738 15.551 1.155 1.00 0.00 C ATOM 579 NE2 HIS A 37 6.164 15.062 0.077 1.00 0.00 N ATOM 0 H HIS A 37 1.873 12.824 4.019 1.00 0.00 H new ATOM 0 HA HIS A 37 2.763 13.037 1.199 1.00 0.00 H new ATOM 0 HB2 HIS A 37 2.980 15.038 2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.119 14.102 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.270 14.014 -0.243 1.00 0.00 H new ATOM 0 HE1 HIS A 37 7.691 16.058 1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 37 6.549 15.099 -0.867 1.00 0.00 H new ATOM 588 N THR A 38 3.422 10.747 3.149 1.00 0.00 N ATOM 589 CA THR A 38 4.131 9.519 3.348 1.00 0.00 C ATOM 590 C THR A 38 3.931 8.629 2.127 1.00 0.00 C ATOM 591 O THR A 38 2.809 8.450 1.675 1.00 0.00 O ATOM 592 CB THR A 38 3.633 8.797 4.621 1.00 0.00 C ATOM 593 OG1 THR A 38 4.141 9.456 5.789 1.00 0.00 O ATOM 594 CG2 THR A 38 4.055 7.344 4.626 1.00 0.00 C ATOM 0 H THR A 38 2.510 10.782 3.605 1.00 0.00 H new ATOM 0 HA THR A 38 5.191 9.735 3.478 1.00 0.00 H new ATOM 0 HB THR A 38 2.544 8.835 4.627 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.820 8.994 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.690 6.862 5.533 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.636 6.841 3.755 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.143 7.281 4.594 1.00 0.00 H new ATOM 602 N PRO A 39 5.015 8.072 1.574 1.00 0.00 N ATOM 603 CA PRO A 39 4.939 7.250 0.371 1.00 0.00 C ATOM 604 C PRO A 39 4.116 5.992 0.588 1.00 0.00 C ATOM 605 O PRO A 39 4.089 5.423 1.688 1.00 0.00 O ATOM 606 CB PRO A 39 6.403 6.896 0.077 1.00 0.00 C ATOM 607 CG PRO A 39 7.101 7.065 1.381 1.00 0.00 C ATOM 608 CD PRO A 39 6.387 8.177 2.088 1.00 0.00 C ATOM 0 HA PRO A 39 4.448 7.774 -0.449 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.497 5.875 -0.293 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.824 7.552 -0.685 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.066 6.145 1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.153 7.309 1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.422 8.055 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.829 9.148 1.862 1.00 0.00 H new ATOM 616 N LEU A 40 3.443 5.548 -0.461 1.00 0.00 N ATOM 617 CA LEU A 40 2.615 4.357 -0.399 1.00 0.00 C ATOM 618 C LEU A 40 3.454 3.121 -0.132 1.00 0.00 C ATOM 619 O LEU A 40 2.933 2.074 0.235 1.00 0.00 O ATOM 620 CB LEU A 40 1.801 4.176 -1.682 1.00 0.00 C ATOM 621 CG LEU A 40 0.834 5.317 -2.027 1.00 0.00 C ATOM 622 CD1 LEU A 40 -0.062 4.925 -3.185 1.00 0.00 C ATOM 623 CD2 LEU A 40 -0.005 5.705 -0.817 1.00 0.00 C ATOM 0 H LEU A 40 3.456 6.001 -1.375 1.00 0.00 H new ATOM 0 HA LEU A 40 1.920 4.489 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.493 4.048 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.228 3.252 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 40 1.427 6.182 -2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.740 5.747 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.550 4.704 -4.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.641 4.042 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.682 6.515 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.585 4.844 -0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.650 6.034 -0.010 1.00 0.00 H new ATOM 635 N SER A 41 4.767 3.251 -0.312 1.00 0.00 N ATOM 636 CA SER A 41 5.704 2.160 -0.124 1.00 0.00 C ATOM 637 C SER A 41 5.507 1.484 1.221 1.00 0.00 C ATOM 638 O SER A 41 5.597 0.264 1.333 1.00 0.00 O ATOM 639 CB SER A 41 7.127 2.694 -0.226 1.00 0.00 C ATOM 640 OG SER A 41 7.336 3.751 0.694 1.00 0.00 O ATOM 0 H SER A 41 5.208 4.126 -0.595 1.00 0.00 H new ATOM 0 HA SER A 41 5.525 1.418 -0.902 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.837 1.890 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.316 3.046 -1.240 1.00 0.00 H new ATOM 0 HG SER A 41 8.256 4.078 0.613 1.00 0.00 H new ATOM 646 N LYS A 42 5.220 2.285 2.245 1.00 0.00 N ATOM 647 CA LYS A 42 5.039 1.775 3.595 1.00 0.00 C ATOM 648 C LYS A 42 3.967 0.703 3.627 1.00 0.00 C ATOM 649 O LYS A 42 4.210 -0.417 4.069 1.00 0.00 O ATOM 650 CB LYS A 42 4.641 2.917 4.540 1.00 0.00 C ATOM 651 CG LYS A 42 5.410 4.218 4.319 1.00 0.00 C ATOM 652 CD LYS A 42 6.915 4.011 4.323 1.00 0.00 C ATOM 653 CE LYS A 42 7.419 3.564 5.678 1.00 0.00 C ATOM 654 NZ LYS A 42 7.218 4.603 6.729 1.00 0.00 N ATOM 0 H LYS A 42 5.108 3.295 2.160 1.00 0.00 H new ATOM 0 HA LYS A 42 5.983 1.340 3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.576 3.115 4.422 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.793 2.590 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.109 4.657 3.368 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.142 4.932 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.181 3.266 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.410 4.940 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.903 2.650 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.480 3.323 5.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.767 4.351 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.538 5.525 6.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.209 4.658 6.974 1.00 0.00 H new ATOM 668 N LEU A 43 2.790 1.035 3.126 1.00 0.00 N ATOM 669 CA LEU A 43 1.689 0.093 3.098 1.00 0.00 C ATOM 670 C LEU A 43 1.873 -0.936 2.004 1.00 0.00 C ATOM 671 O LEU A 43 1.461 -2.079 2.139 1.00 0.00 O ATOM 672 CB LEU A 43 0.327 0.812 2.971 1.00 0.00 C ATOM 673 CG LEU A 43 0.094 1.718 1.742 1.00 0.00 C ATOM 674 CD1 LEU A 43 -0.194 0.903 0.487 1.00 0.00 C ATOM 675 CD2 LEU A 43 -1.052 2.656 2.012 1.00 0.00 C ATOM 0 H LEU A 43 2.574 1.951 2.733 1.00 0.00 H new ATOM 0 HA LEU A 43 1.689 -0.435 4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.453 0.051 2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.186 1.420 3.865 1.00 0.00 H new ATOM 0 HG LEU A 43 1.007 2.287 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.352 1.576 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.652 0.249 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.088 0.300 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.213 3.293 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.955 2.079 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.819 3.276 2.878 1.00 0.00 H new ATOM 687 N MET A 44 2.500 -0.521 0.915 1.00 0.00 N ATOM 688 CA MET A 44 2.705 -1.382 -0.233 1.00 0.00 C ATOM 689 C MET A 44 3.551 -2.590 0.147 1.00 0.00 C ATOM 690 O MET A 44 3.181 -3.727 -0.127 1.00 0.00 O ATOM 691 CB MET A 44 3.360 -0.589 -1.365 1.00 0.00 C ATOM 692 CG MET A 44 3.149 -1.190 -2.738 1.00 0.00 C ATOM 693 SD MET A 44 3.854 -0.187 -4.059 1.00 0.00 S ATOM 694 CE MET A 44 2.800 1.265 -3.982 1.00 0.00 C ATOM 0 H MET A 44 2.879 0.419 0.804 1.00 0.00 H new ATOM 0 HA MET A 44 1.738 -1.748 -0.579 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.965 0.427 -1.359 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.430 -0.516 -1.172 1.00 0.00 H new ATOM 0 HG2 MET A 44 3.595 -2.184 -2.766 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.081 -1.315 -2.914 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.733 1.719 -4.971 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.804 0.974 -3.648 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.222 1.984 -3.280 1.00 0.00 H new ATOM 704 N LYS A 45 4.680 -2.347 0.795 1.00 0.00 N ATOM 705 CA LYS A 45 5.544 -3.432 1.240 1.00 0.00 C ATOM 706 C LYS A 45 4.881 -4.194 2.394 1.00 0.00 C ATOM 707 O LYS A 45 4.888 -5.421 2.424 1.00 0.00 O ATOM 708 CB LYS A 45 6.906 -2.894 1.695 1.00 0.00 C ATOM 709 CG LYS A 45 7.616 -2.008 0.682 1.00 0.00 C ATOM 710 CD LYS A 45 8.271 -2.819 -0.420 1.00 0.00 C ATOM 711 CE LYS A 45 8.934 -1.912 -1.443 1.00 0.00 C ATOM 712 NZ LYS A 45 9.688 -2.670 -2.473 1.00 0.00 N ATOM 0 H LYS A 45 5.019 -1.413 1.024 1.00 0.00 H new ATOM 0 HA LYS A 45 5.699 -4.109 0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.767 -2.328 2.616 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.553 -3.738 1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.900 -1.312 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.372 -1.410 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.013 -3.491 0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.524 -3.442 -0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.173 -1.302 -1.930 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.611 -1.228 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.121 -2.005 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.433 -3.232 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.039 -3.304 -2.981 1.00 0.00 H new ATOM 726 N ALA A 46 4.262 -3.449 3.321 1.00 0.00 N ATOM 727 CA ALA A 46 3.630 -4.033 4.507 1.00 0.00 C ATOM 728 C ALA A 46 2.529 -5.005 4.122 1.00 0.00 C ATOM 729 O ALA A 46 2.430 -6.102 4.677 1.00 0.00 O ATOM 730 CB ALA A 46 3.074 -2.943 5.410 1.00 0.00 C ATOM 0 H ALA A 46 4.187 -2.433 3.269 1.00 0.00 H new ATOM 0 HA ALA A 46 4.396 -4.585 5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.609 -3.397 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.884 -2.287 5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.330 -2.363 4.864 1.00 0.00 H new ATOM 736 N TYR A 47 1.687 -4.597 3.174 1.00 0.00 N ATOM 737 CA TYR A 47 0.612 -5.441 2.671 1.00 0.00 C ATOM 738 C TYR A 47 1.168 -6.752 2.146 1.00 0.00 C ATOM 739 O TYR A 47 0.709 -7.825 2.514 1.00 0.00 O ATOM 740 CB TYR A 47 -0.172 -4.704 1.561 1.00 0.00 C ATOM 741 CG TYR A 47 -1.090 -5.591 0.727 1.00 0.00 C ATOM 742 CD1 TYR A 47 -0.596 -6.312 -0.363 1.00 0.00 C ATOM 743 CD2 TYR A 47 -2.444 -5.702 1.023 1.00 0.00 C ATOM 744 CE1 TYR A 47 -1.421 -7.113 -1.125 1.00 0.00 C ATOM 745 CE2 TYR A 47 -3.279 -6.500 0.260 1.00 0.00 C ATOM 746 CZ TYR A 47 -2.759 -7.204 -0.816 1.00 0.00 C ATOM 747 OH TYR A 47 -3.579 -8.004 -1.580 1.00 0.00 O ATOM 0 H TYR A 47 1.733 -3.677 2.737 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.070 -5.661 3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.770 -3.917 2.020 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.540 -4.216 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.452 -6.241 -0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.851 -5.157 1.862 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.019 -7.666 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.329 -6.574 0.501 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.491 -7.974 -1.222 1.00 0.00 H new ATOM 757 N CYS A 48 2.173 -6.666 1.304 1.00 0.00 N ATOM 758 CA CYS A 48 2.766 -7.843 0.700 1.00 0.00 C ATOM 759 C CYS A 48 3.393 -8.751 1.747 1.00 0.00 C ATOM 760 O CYS A 48 3.299 -9.973 1.662 1.00 0.00 O ATOM 761 CB CYS A 48 3.792 -7.423 -0.329 1.00 0.00 C ATOM 762 SG CYS A 48 3.130 -6.304 -1.567 1.00 0.00 S ATOM 0 H CYS A 48 2.602 -5.786 1.018 1.00 0.00 H new ATOM 0 HA CYS A 48 1.977 -8.413 0.209 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.629 -6.942 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.186 -8.311 -0.824 1.00 0.00 H new ATOM 0 HG CYS A 48 4.106 -5.661 -2.137 1.00 0.00 H new ATOM 768 N GLU A 49 4.014 -8.154 2.748 1.00 0.00 N ATOM 769 CA GLU A 49 4.639 -8.900 3.825 1.00 0.00 C ATOM 770 C GLU A 49 3.609 -9.682 4.638 1.00 0.00 C ATOM 771 O GLU A 49 3.840 -10.824 5.024 1.00 0.00 O ATOM 772 CB GLU A 49 5.406 -7.956 4.738 1.00 0.00 C ATOM 773 CG GLU A 49 6.605 -7.317 4.084 1.00 0.00 C ATOM 774 CD GLU A 49 7.375 -6.455 5.045 1.00 0.00 C ATOM 775 OE1 GLU A 49 7.004 -5.286 5.230 1.00 0.00 O ATOM 776 OE2 GLU A 49 8.361 -6.946 5.625 1.00 0.00 O ATOM 0 H GLU A 49 4.099 -7.142 2.837 1.00 0.00 H new ATOM 0 HA GLU A 49 5.329 -9.615 3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.732 -7.172 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.735 -8.506 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.260 -8.094 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.278 -6.714 3.237 1.00 0.00 H new ATOM 783 N ARG A 50 2.465 -9.073 4.889 1.00 0.00 N ATOM 784 CA ARG A 50 1.429 -9.703 5.699 1.00 0.00 C ATOM 785 C ARG A 50 0.516 -10.600 4.863 1.00 0.00 C ATOM 786 O ARG A 50 -0.125 -11.504 5.390 1.00 0.00 O ATOM 787 CB ARG A 50 0.606 -8.636 6.443 1.00 0.00 C ATOM 788 CG ARG A 50 -0.024 -7.594 5.536 1.00 0.00 C ATOM 789 CD ARG A 50 -0.615 -6.440 6.327 1.00 0.00 C ATOM 790 NE ARG A 50 0.386 -5.763 7.159 1.00 0.00 N ATOM 791 CZ ARG A 50 0.091 -4.985 8.210 1.00 0.00 C ATOM 792 NH1 ARG A 50 -1.177 -4.823 8.590 1.00 0.00 N ATOM 793 NH2 ARG A 50 1.064 -4.383 8.888 1.00 0.00 N ATOM 0 H ARG A 50 2.226 -8.143 4.545 1.00 0.00 H new ATOM 0 HA ARG A 50 1.927 -10.339 6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.181 -9.131 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.251 -8.133 7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.727 -7.213 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.805 -8.060 4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.058 -5.720 5.639 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.420 -6.812 6.961 1.00 0.00 H new ATOM 0 HE ARG A 50 1.370 -5.893 6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.926 -5.292 8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.398 -4.230 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.036 -4.513 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.838 -3.791 9.687 1.00 0.00 H new ATOM 807 N GLN A 51 0.443 -10.346 3.561 1.00 0.00 N ATOM 808 CA GLN A 51 -0.429 -11.127 2.685 1.00 0.00 C ATOM 809 C GLN A 51 0.333 -12.216 1.942 1.00 0.00 C ATOM 810 O GLN A 51 -0.264 -13.096 1.320 1.00 0.00 O ATOM 811 CB GLN A 51 -1.163 -10.215 1.700 1.00 0.00 C ATOM 812 CG GLN A 51 -2.100 -9.227 2.378 1.00 0.00 C ATOM 813 CD GLN A 51 -3.037 -9.897 3.364 1.00 0.00 C ATOM 814 OE1 GLN A 51 -4.142 -10.294 3.021 1.00 0.00 O ATOM 815 NE2 GLN A 51 -2.589 -10.040 4.593 1.00 0.00 N ATOM 0 H GLN A 51 0.972 -9.612 3.090 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.164 -11.622 3.320 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.430 -9.664 1.111 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.735 -10.829 1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.511 -8.471 2.898 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.686 -8.708 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.661 -9.696 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.169 -10.495 5.298 1.00 0.00 H new ATOM 824 N GLY A 52 1.646 -12.167 2.009 1.00 0.00 N ATOM 825 CA GLY A 52 2.466 -13.167 1.340 1.00 0.00 C ATOM 826 C GLY A 52 2.578 -12.936 -0.159 1.00 0.00 C ATOM 827 O GLY A 52 2.474 -13.871 -0.956 1.00 0.00 O ATOM 0 H GLY A 52 2.170 -11.453 2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.464 -13.163 1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.043 -14.155 1.519 1.00 0.00 H new ATOM 831 N LEU A 53 2.792 -11.692 -0.553 1.00 0.00 N ATOM 832 CA LEU A 53 2.919 -11.337 -1.966 1.00 0.00 C ATOM 833 C LEU A 53 4.289 -10.717 -2.253 1.00 0.00 C ATOM 834 O LEU A 53 4.961 -10.218 -1.350 1.00 0.00 O ATOM 835 CB LEU A 53 1.803 -10.363 -2.398 1.00 0.00 C ATOM 836 CG LEU A 53 0.434 -10.977 -2.760 1.00 0.00 C ATOM 837 CD1 LEU A 53 0.586 -12.113 -3.756 1.00 0.00 C ATOM 838 CD2 LEU A 53 -0.310 -11.442 -1.522 1.00 0.00 C ATOM 0 H LEU A 53 2.883 -10.903 0.087 1.00 0.00 H new ATOM 0 HA LEU A 53 2.821 -12.256 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.649 -9.646 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.160 -9.801 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.159 -10.193 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.396 -12.525 -3.991 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.050 -11.738 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.213 -12.893 -3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.270 -11.869 -1.813 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.281 -12.197 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.477 -10.594 -0.858 1.00 0.00 H new ATOM 850 N SER A 54 4.713 -10.766 -3.511 1.00 0.00 N ATOM 851 CA SER A 54 5.983 -10.199 -3.919 1.00 0.00 C ATOM 852 C SER A 54 5.783 -8.921 -4.730 1.00 0.00 C ATOM 853 O SER A 54 5.054 -8.903 -5.719 1.00 0.00 O ATOM 854 CB SER A 54 6.768 -11.223 -4.722 1.00 0.00 C ATOM 855 OG SER A 54 7.254 -12.258 -3.885 1.00 0.00 O ATOM 0 H SER A 54 4.186 -11.199 -4.269 1.00 0.00 H new ATOM 0 HA SER A 54 6.547 -9.937 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.132 -11.647 -5.499 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.603 -10.734 -5.225 1.00 0.00 H new ATOM 0 HG SER A 54 7.754 -12.906 -4.423 1.00 0.00 H new ATOM 861 N MET A 55 6.470 -7.861 -4.318 1.00 0.00 N ATOM 862 CA MET A 55 6.359 -6.523 -4.939 1.00 0.00 C ATOM 863 C MET A 55 6.666 -6.539 -6.447 1.00 0.00 C ATOM 864 O MET A 55 6.135 -5.737 -7.206 1.00 0.00 O ATOM 865 CB MET A 55 7.333 -5.552 -4.258 1.00 0.00 C ATOM 866 CG MET A 55 7.208 -5.465 -2.748 1.00 0.00 C ATOM 867 SD MET A 55 5.724 -4.609 -2.212 1.00 0.00 S ATOM 868 CE MET A 55 5.874 -3.072 -3.106 1.00 0.00 C ATOM 0 H MET A 55 7.127 -7.894 -3.539 1.00 0.00 H new ATOM 0 HA MET A 55 5.326 -6.202 -4.807 1.00 0.00 H new ATOM 0 HB2 MET A 55 8.352 -5.851 -4.506 1.00 0.00 H new ATOM 0 HB3 MET A 55 7.182 -4.557 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.210 -6.472 -2.331 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.082 -4.952 -2.346 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.665 -2.239 -2.435 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.886 -2.977 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.162 -3.060 -3.931 1.00 0.00 H new ATOM 878 N ARG A 56 7.533 -7.444 -6.873 1.00 0.00 N ATOM 879 CA ARG A 56 7.960 -7.501 -8.271 1.00 0.00 C ATOM 880 C ARG A 56 6.967 -8.271 -9.112 1.00 0.00 C ATOM 881 O ARG A 56 6.817 -8.031 -10.310 1.00 0.00 O ATOM 882 CB ARG A 56 9.353 -8.139 -8.393 1.00 0.00 C ATOM 883 CG ARG A 56 10.454 -7.397 -7.643 1.00 0.00 C ATOM 884 CD ARG A 56 10.359 -7.609 -6.145 1.00 0.00 C ATOM 885 NE ARG A 56 10.562 -9.000 -5.763 1.00 0.00 N ATOM 886 CZ ARG A 56 10.474 -9.452 -4.513 1.00 0.00 C ATOM 887 NH1 ARG A 56 10.295 -8.604 -3.509 1.00 0.00 N ATOM 888 NH2 ARG A 56 10.602 -10.742 -4.264 1.00 0.00 N ATOM 0 H ARG A 56 7.958 -8.152 -6.274 1.00 0.00 H new ATOM 0 HA ARG A 56 8.009 -6.477 -8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.304 -9.163 -8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.623 -8.195 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.427 -7.737 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 56 10.389 -6.332 -7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.102 -6.987 -5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.380 -7.279 -5.796 1.00 0.00 H new ATOM 0 HE ARG A 56 10.786 -9.670 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.224 -7.603 -3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.228 -8.953 -2.553 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.769 -11.395 -5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.534 -11.086 -3.306 1.00 0.00 H new ATOM 902 N GLN A 57 6.293 -9.206 -8.484 1.00 0.00 N ATOM 903 CA GLN A 57 5.317 -10.023 -9.161 1.00 0.00 C ATOM 904 C GLN A 57 3.971 -9.341 -9.189 1.00 0.00 C ATOM 905 O GLN A 57 3.273 -9.363 -10.191 1.00 0.00 O ATOM 906 CB GLN A 57 5.220 -11.388 -8.485 1.00 0.00 C ATOM 907 CG GLN A 57 6.330 -12.335 -8.882 1.00 0.00 C ATOM 908 CD GLN A 57 7.388 -12.453 -7.830 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.324 -13.313 -6.958 1.00 0.00 O ATOM 910 NE2 GLN A 57 8.364 -11.586 -7.896 1.00 0.00 N ATOM 0 H GLN A 57 6.406 -9.420 -7.493 1.00 0.00 H new ATOM 0 HA GLN A 57 5.638 -10.166 -10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.238 -11.252 -7.404 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.260 -11.841 -8.733 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.909 -13.320 -9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.783 -11.989 -9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.376 -10.888 -8.639 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.113 -11.608 -7.204 1.00 0.00 H new ATOM 919 N ILE A 58 3.605 -8.706 -8.105 1.00 0.00 N ATOM 920 CA ILE A 58 2.331 -8.044 -8.041 1.00 0.00 C ATOM 921 C ILE A 58 2.463 -6.600 -8.476 1.00 0.00 C ATOM 922 O ILE A 58 3.562 -6.114 -8.745 1.00 0.00 O ATOM 923 CB ILE A 58 1.736 -8.092 -6.620 1.00 0.00 C ATOM 924 CG1 ILE A 58 2.444 -7.097 -5.703 1.00 0.00 C ATOM 925 CG2 ILE A 58 1.864 -9.501 -6.061 1.00 0.00 C ATOM 926 CD1 ILE A 58 1.749 -6.906 -4.381 1.00 0.00 C ATOM 0 H ILE A 58 4.170 -8.634 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 58 1.658 -8.573 -8.716 1.00 0.00 H new ATOM 0 HB ILE A 58 0.682 -7.817 -6.672 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.463 -7.440 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.517 -6.135 -6.210 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.443 -9.533 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.325 -10.198 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.916 -9.783 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.304 -6.187 -3.779 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.739 -6.533 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.700 -7.859 -3.855 1.00 0.00 H new ATOM 938 N ARG A 59 1.350 -5.916 -8.570 1.00 0.00 N ATOM 939 CA ARG A 59 1.354 -4.522 -8.918 1.00 0.00 C ATOM 940 C ARG A 59 0.178 -3.825 -8.290 1.00 0.00 C ATOM 941 O ARG A 59 -0.961 -4.310 -8.344 1.00 0.00 O ATOM 942 CB ARG A 59 1.342 -4.324 -10.443 1.00 0.00 C ATOM 943 CG ARG A 59 1.200 -2.864 -10.888 1.00 0.00 C ATOM 944 CD ARG A 59 2.343 -1.990 -10.377 1.00 0.00 C ATOM 945 NE ARG A 59 3.633 -2.383 -10.936 1.00 0.00 N ATOM 946 CZ ARG A 59 4.768 -1.694 -10.784 1.00 0.00 C ATOM 947 NH1 ARG A 59 4.784 -0.553 -10.092 1.00 0.00 N ATOM 948 NH2 ARG A 59 5.885 -2.146 -11.333 1.00 0.00 N ATOM 0 H ARG A 59 0.423 -6.309 -8.408 1.00 0.00 H new ATOM 0 HA ARG A 59 2.274 -4.083 -8.532 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.265 -4.730 -10.858 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.521 -4.902 -10.866 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.170 -2.819 -11.977 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.252 -2.467 -10.526 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.142 -0.949 -10.629 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.387 -2.052 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 59 3.671 -3.244 -11.481 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.924 -0.199 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.656 -0.035 -9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.875 -3.015 -11.868 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.755 -1.626 -11.221 1.00 0.00 H new ATOM 962 N PHE A 60 0.458 -2.719 -7.651 1.00 0.00 N ATOM 963 CA PHE A 60 -0.557 -1.885 -7.075 1.00 0.00 C ATOM 964 C PHE A 60 -1.121 -0.980 -8.157 1.00 0.00 C ATOM 965 O PHE A 60 -0.375 -0.443 -8.979 1.00 0.00 O ATOM 966 CB PHE A 60 0.038 -1.051 -5.935 1.00 0.00 C ATOM 967 CG PHE A 60 0.132 -1.769 -4.615 1.00 0.00 C ATOM 968 CD1 PHE A 60 0.738 -3.013 -4.512 1.00 0.00 C ATOM 969 CD2 PHE A 60 -0.390 -1.190 -3.474 1.00 0.00 C ATOM 970 CE1 PHE A 60 0.812 -3.661 -3.292 1.00 0.00 C ATOM 971 CE2 PHE A 60 -0.316 -1.830 -2.258 1.00 0.00 C ATOM 972 CZ PHE A 60 0.282 -3.067 -2.165 1.00 0.00 C ATOM 0 H PHE A 60 1.407 -2.371 -7.516 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.357 -2.502 -6.666 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.035 -0.721 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.568 -0.155 -5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.156 -3.479 -5.392 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.863 -0.221 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.284 -4.630 -3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.727 -1.362 -1.376 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.336 -3.571 -1.212 1.00 0.00 H new ATOM 982 N ARG A 61 -2.419 -0.824 -8.183 1.00 0.00 N ATOM 983 CA ARG A 61 -3.063 -0.004 -9.185 1.00 0.00 C ATOM 984 C ARG A 61 -4.141 0.865 -8.553 1.00 0.00 C ATOM 985 O ARG A 61 -4.831 0.448 -7.623 1.00 0.00 O ATOM 986 CB ARG A 61 -3.657 -0.892 -10.288 1.00 0.00 C ATOM 987 CG ARG A 61 -4.332 -0.125 -11.412 1.00 0.00 C ATOM 988 CD ARG A 61 -4.954 -1.057 -12.444 1.00 0.00 C ATOM 989 NE ARG A 61 -3.954 -1.852 -13.174 1.00 0.00 N ATOM 990 CZ ARG A 61 -4.271 -2.853 -14.024 1.00 0.00 C ATOM 991 NH1 ARG A 61 -5.544 -3.166 -14.240 1.00 0.00 N ATOM 992 NH2 ARG A 61 -3.319 -3.536 -14.646 1.00 0.00 N ATOM 0 H ARG A 61 -3.059 -1.257 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.318 0.654 -9.632 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.863 -1.508 -10.710 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.383 -1.571 -9.840 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.104 0.523 -10.997 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.602 0.521 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.652 -1.730 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.533 -0.468 -13.156 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.968 -1.636 -13.030 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.284 -2.650 -13.764 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.781 -3.922 -14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.338 -3.307 -14.484 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.568 -4.290 -15.286 1.00 0.00 H new ATOM 1006 N PHE A 62 -4.273 2.074 -9.042 1.00 0.00 N ATOM 1007 CA PHE A 62 -5.257 3.006 -8.539 1.00 0.00 C ATOM 1008 C PHE A 62 -5.703 3.907 -9.669 1.00 0.00 C ATOM 1009 O PHE A 62 -4.871 4.447 -10.387 1.00 0.00 O ATOM 1010 CB PHE A 62 -4.646 3.836 -7.409 1.00 0.00 C ATOM 1011 CG PHE A 62 -5.618 4.744 -6.714 1.00 0.00 C ATOM 1012 CD1 PHE A 62 -5.842 6.032 -7.176 1.00 0.00 C ATOM 1013 CD2 PHE A 62 -6.291 4.314 -5.588 1.00 0.00 C ATOM 1014 CE1 PHE A 62 -6.724 6.870 -6.527 1.00 0.00 C ATOM 1015 CE2 PHE A 62 -7.170 5.149 -4.934 1.00 0.00 C ATOM 1016 CZ PHE A 62 -7.388 6.429 -5.403 1.00 0.00 C ATOM 0 H PHE A 62 -3.701 2.442 -9.802 1.00 0.00 H new ATOM 0 HA PHE A 62 -6.118 2.464 -8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -4.208 3.161 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.832 4.437 -7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.320 6.383 -8.054 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.127 3.313 -5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.894 7.870 -6.899 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.689 4.802 -4.053 1.00 0.00 H new ATOM 0 HZ PHE A 62 -8.077 7.083 -4.890 1.00 0.00 H new ATOM 1026 N ASP A 63 -7.016 4.052 -9.852 1.00 0.00 N ATOM 1027 CA ASP A 63 -7.588 4.890 -10.924 1.00 0.00 C ATOM 1028 C ASP A 63 -7.328 4.259 -12.276 1.00 0.00 C ATOM 1029 O ASP A 63 -7.282 4.928 -13.305 1.00 0.00 O ATOM 1030 CB ASP A 63 -7.021 6.315 -10.896 1.00 0.00 C ATOM 1031 CG ASP A 63 -7.977 7.324 -11.511 1.00 0.00 C ATOM 1032 OD1 ASP A 63 -8.995 7.649 -10.863 1.00 0.00 O ATOM 1033 OD2 ASP A 63 -7.727 7.792 -12.639 1.00 0.00 O ATOM 0 H ASP A 63 -7.717 3.596 -9.267 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.663 4.954 -10.753 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.808 6.600 -9.866 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.074 6.338 -11.435 1.00 0.00 H new ATOM 1038 N GLY A 64 -7.165 2.956 -12.278 1.00 0.00 N ATOM 1039 CA GLY A 64 -6.887 2.251 -13.502 1.00 0.00 C ATOM 1040 C GLY A 64 -5.418 2.270 -13.850 1.00 0.00 C ATOM 1041 O GLY A 64 -4.927 1.396 -14.560 1.00 0.00 O ATOM 0 H GLY A 64 -7.220 2.367 -11.447 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.223 1.218 -13.409 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.457 2.700 -14.315 1.00 0.00 H new ATOM 1045 N GLN A 65 -4.706 3.264 -13.356 1.00 0.00 N ATOM 1046 CA GLN A 65 -3.288 3.368 -13.618 1.00 0.00 C ATOM 1047 C GLN A 65 -2.478 2.689 -12.515 1.00 0.00 C ATOM 1048 O GLN A 65 -2.793 2.814 -11.330 1.00 0.00 O ATOM 1049 CB GLN A 65 -2.870 4.831 -13.769 1.00 0.00 C ATOM 1050 CG GLN A 65 -3.196 5.678 -12.564 1.00 0.00 C ATOM 1051 CD GLN A 65 -2.544 7.034 -12.609 1.00 0.00 C ATOM 1052 OE1 GLN A 65 -2.354 7.615 -13.677 1.00 0.00 O ATOM 1053 NE2 GLN A 65 -2.175 7.532 -11.453 1.00 0.00 N ATOM 0 H GLN A 65 -5.087 4.009 -12.772 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.081 2.854 -14.557 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.797 4.877 -13.956 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.364 5.253 -14.644 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.277 5.802 -12.495 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.876 5.156 -11.662 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.354 7.013 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.709 8.438 -11.414 1.00 0.00 H new ATOM 1062 N PRO A 66 -1.453 1.922 -12.889 1.00 0.00 N ATOM 1063 CA PRO A 66 -0.586 1.263 -11.922 1.00 0.00 C ATOM 1064 C PRO A 66 0.253 2.280 -11.139 1.00 0.00 C ATOM 1065 O PRO A 66 0.712 3.282 -11.689 1.00 0.00 O ATOM 1066 CB PRO A 66 0.309 0.363 -12.784 1.00 0.00 C ATOM 1067 CG PRO A 66 0.273 0.969 -14.143 1.00 0.00 C ATOM 1068 CD PRO A 66 -1.067 1.630 -14.281 1.00 0.00 C ATOM 0 HA PRO A 66 -1.148 0.707 -11.171 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.326 0.329 -12.394 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.061 -0.662 -12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.077 1.694 -14.265 1.00 0.00 H new ATOM 0 HG3 PRO A 66 0.411 0.208 -14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.006 2.539 -14.879 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.789 0.975 -14.769 1.00 0.00 H new ATOM 1076 N ILE A 67 0.459 2.020 -9.866 1.00 0.00 N ATOM 1077 CA ILE A 67 1.215 2.927 -9.014 1.00 0.00 C ATOM 1078 C ILE A 67 2.528 2.297 -8.578 1.00 0.00 C ATOM 1079 O ILE A 67 2.803 1.122 -8.870 1.00 0.00 O ATOM 1080 CB ILE A 67 0.401 3.393 -7.783 1.00 0.00 C ATOM 1081 CG1 ILE A 67 -0.197 2.198 -7.038 1.00 0.00 C ATOM 1082 CG2 ILE A 67 -0.689 4.372 -8.208 1.00 0.00 C ATOM 1083 CD1 ILE A 67 -1.063 2.581 -5.856 1.00 0.00 C ATOM 0 H ILE A 67 0.114 1.185 -9.392 1.00 0.00 H new ATOM 0 HA ILE A 67 1.433 3.812 -9.612 1.00 0.00 H new ATOM 0 HB ILE A 67 1.076 3.906 -7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.792 1.609 -7.736 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.613 1.557 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -1.253 4.691 -7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.233 5.241 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.361 3.884 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.450 1.679 -5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.468 3.144 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.895 3.196 -6.199 1.00 0.00 H new ATOM 1095 N ASN A 68 3.343 3.065 -7.891 1.00 0.00 N ATOM 1096 CA ASN A 68 4.658 2.620 -7.476 1.00 0.00 C ATOM 1097 C ASN A 68 4.978 3.043 -6.064 1.00 0.00 C ATOM 1098 O ASN A 68 4.420 3.992 -5.551 1.00 0.00 O ATOM 1099 CB ASN A 68 5.741 3.140 -8.429 1.00 0.00 C ATOM 1100 CG ASN A 68 5.499 4.555 -8.956 1.00 0.00 C ATOM 1101 OD1 ASN A 68 4.934 5.421 -8.138 1.00 0.00 O flip ATOM 1102 ND2 ASN A 68 5.842 4.862 -10.098 1.00 0.00 N flip ATOM 0 H ASN A 68 3.115 4.017 -7.603 1.00 0.00 H new ATOM 0 HA ASN A 68 4.645 1.531 -7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.701 3.118 -7.914 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.818 2.459 -9.277 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.277 4.166 -10.704 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.692 5.812 -10.438 1.00 0.00 H new ATOM 1109 N GLU A 69 5.926 2.352 -5.451 1.00 0.00 N ATOM 1110 CA GLU A 69 6.330 2.630 -4.075 1.00 0.00 C ATOM 1111 C GLU A 69 6.915 4.044 -3.927 1.00 0.00 C ATOM 1112 O GLU A 69 7.128 4.529 -2.819 1.00 0.00 O ATOM 1113 CB GLU A 69 7.348 1.583 -3.599 1.00 0.00 C ATOM 1114 CG GLU A 69 8.657 1.591 -4.374 1.00 0.00 C ATOM 1115 CD GLU A 69 9.671 0.618 -3.811 1.00 0.00 C ATOM 1116 OE1 GLU A 69 10.431 1.005 -2.903 1.00 0.00 O ATOM 1117 OE2 GLU A 69 9.716 -0.542 -4.275 1.00 0.00 O ATOM 0 H GLU A 69 6.437 1.585 -5.888 1.00 0.00 H new ATOM 0 HA GLU A 69 5.438 2.574 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.562 1.754 -2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.898 0.593 -3.677 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.460 1.342 -5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.077 2.597 -4.361 1.00 0.00 H new ATOM 1124 N THR A 70 7.163 4.705 -5.046 1.00 0.00 N ATOM 1125 CA THR A 70 7.735 6.029 -5.027 1.00 0.00 C ATOM 1126 C THR A 70 6.646 7.116 -5.176 1.00 0.00 C ATOM 1127 O THR A 70 6.951 8.308 -5.290 1.00 0.00 O ATOM 1128 CB THR A 70 8.825 6.185 -6.136 1.00 0.00 C ATOM 1129 OG1 THR A 70 9.530 7.425 -5.987 1.00 0.00 O ATOM 1130 CG2 THR A 70 8.212 6.119 -7.524 1.00 0.00 C ATOM 0 H THR A 70 6.974 4.339 -5.979 1.00 0.00 H new ATOM 0 HA THR A 70 8.213 6.165 -4.057 1.00 0.00 H new ATOM 0 HB THR A 70 9.525 5.357 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.904 8.126 -5.708 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.996 6.231 -8.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.716 5.157 -7.658 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.483 6.922 -7.639 1.00 0.00 H new ATOM 1138 N ASP A 71 5.368 6.716 -5.144 1.00 0.00 N ATOM 1139 CA ASP A 71 4.277 7.687 -5.267 1.00 0.00 C ATOM 1140 C ASP A 71 3.709 8.032 -3.895 1.00 0.00 C ATOM 1141 O ASP A 71 3.856 7.264 -2.927 1.00 0.00 O ATOM 1142 CB ASP A 71 3.163 7.191 -6.222 1.00 0.00 C ATOM 1143 CG ASP A 71 2.025 6.468 -5.541 1.00 0.00 C ATOM 1144 OD1 ASP A 71 1.106 7.146 -5.046 1.00 0.00 O ATOM 1145 OD2 ASP A 71 2.036 5.221 -5.538 1.00 0.00 O ATOM 0 H ASP A 71 5.069 5.747 -5.036 1.00 0.00 H new ATOM 0 HA ASP A 71 4.693 8.593 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.760 8.047 -6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.607 6.526 -6.962 1.00 0.00 H new ATOM 1150 N THR A 72 3.098 9.202 -3.789 1.00 0.00 N ATOM 1151 CA THR A 72 2.541 9.657 -2.532 1.00 0.00 C ATOM 1152 C THR A 72 1.036 9.913 -2.660 1.00 0.00 C ATOM 1153 O THR A 72 0.565 10.349 -3.717 1.00 0.00 O ATOM 1154 CB THR A 72 3.241 10.955 -2.059 1.00 0.00 C ATOM 1155 OG1 THR A 72 2.850 12.054 -2.895 1.00 0.00 O ATOM 1156 CG2 THR A 72 4.750 10.802 -2.138 1.00 0.00 C ATOM 0 H THR A 72 2.977 9.854 -4.564 1.00 0.00 H new ATOM 0 HA THR A 72 2.707 8.870 -1.796 1.00 0.00 H new ATOM 0 HB THR A 72 2.946 11.145 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.295 12.872 -2.589 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.227 11.723 -1.802 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.066 9.976 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.042 10.597 -3.168 1.00 0.00 H new ATOM 1164 N PRO A 73 0.264 9.669 -1.574 1.00 0.00 N ATOM 1165 CA PRO A 73 -1.191 9.874 -1.570 1.00 0.00 C ATOM 1166 C PRO A 73 -1.578 11.327 -1.850 1.00 0.00 C ATOM 1167 O PRO A 73 -2.667 11.610 -2.335 1.00 0.00 O ATOM 1168 CB PRO A 73 -1.617 9.469 -0.148 1.00 0.00 C ATOM 1169 CG PRO A 73 -0.369 9.531 0.657 1.00 0.00 C ATOM 1170 CD PRO A 73 0.741 9.163 -0.281 1.00 0.00 C ATOM 0 HA PRO A 73 -1.679 9.294 -2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.375 10.146 0.245 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.047 8.467 -0.134 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.218 10.529 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.413 8.842 1.500 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.685 9.625 0.010 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.908 8.086 -0.306 1.00 0.00 H new ATOM 1178 N ALA A 74 -0.683 12.249 -1.549 1.00 0.00 N ATOM 1179 CA ALA A 74 -0.939 13.668 -1.790 1.00 0.00 C ATOM 1180 C ALA A 74 -0.832 13.983 -3.266 1.00 0.00 C ATOM 1181 O ALA A 74 -1.529 14.854 -3.788 1.00 0.00 O ATOM 1182 CB ALA A 74 0.044 14.527 -1.012 1.00 0.00 C ATOM 0 H ALA A 74 0.228 12.047 -1.138 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.951 13.892 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.162 15.580 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.061 14.325 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.061 14.293 -1.327 1.00 0.00 H new ATOM 1188 N GLN A 75 0.032 13.252 -3.938 1.00 0.00 N ATOM 1189 CA GLN A 75 0.316 13.457 -5.341 1.00 0.00 C ATOM 1190 C GLN A 75 -0.881 13.091 -6.205 1.00 0.00 C ATOM 1191 O GLN A 75 -1.374 13.903 -6.988 1.00 0.00 O ATOM 1192 CB GLN A 75 1.506 12.593 -5.710 1.00 0.00 C ATOM 1193 CG GLN A 75 2.046 12.792 -7.099 1.00 0.00 C ATOM 1194 CD GLN A 75 3.428 12.199 -7.239 1.00 0.00 C ATOM 1195 OE1 GLN A 75 4.432 12.892 -7.077 1.00 0.00 O ATOM 1196 NE2 GLN A 75 3.494 10.905 -7.471 1.00 0.00 N ATOM 0 H GLN A 75 0.563 12.489 -3.519 1.00 0.00 H new ATOM 0 HA GLN A 75 0.536 14.510 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 75 2.307 12.785 -4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.222 11.547 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.374 12.330 -7.823 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.079 13.857 -7.330 1.00 0.00 H new ATOM 0 HE21 GLN A 75 2.638 10.366 -7.600 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.401 10.442 -7.522 1.00 0.00 H new ATOM 1205 N LEU A 76 -1.356 11.867 -6.057 1.00 0.00 N ATOM 1206 CA LEU A 76 -2.489 11.407 -6.850 1.00 0.00 C ATOM 1207 C LEU A 76 -3.833 11.802 -6.213 1.00 0.00 C ATOM 1208 O LEU A 76 -4.898 11.410 -6.689 1.00 0.00 O ATOM 1209 CB LEU A 76 -2.420 9.888 -7.128 1.00 0.00 C ATOM 1210 CG LEU A 76 -2.869 8.937 -6.008 1.00 0.00 C ATOM 1211 CD1 LEU A 76 -2.766 7.499 -6.478 1.00 0.00 C ATOM 1212 CD2 LEU A 76 -2.047 9.128 -4.755 1.00 0.00 C ATOM 0 H LEU A 76 -0.982 11.178 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.426 11.915 -7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.028 9.680 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.390 9.640 -7.386 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.906 9.170 -5.768 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.086 6.831 -5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.405 7.354 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.733 7.277 -6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.393 8.439 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.998 8.930 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.157 10.153 -4.401 1.00 0.00 H new ATOM 1224 N GLU A 77 -3.765 12.606 -5.146 1.00 0.00 N ATOM 1225 CA GLU A 77 -4.955 13.089 -4.426 1.00 0.00 C ATOM 1226 C GLU A 77 -5.806 11.946 -3.884 1.00 0.00 C ATOM 1227 O GLU A 77 -6.959 11.749 -4.274 1.00 0.00 O ATOM 1228 CB GLU A 77 -5.792 14.050 -5.274 1.00 0.00 C ATOM 1229 CG GLU A 77 -5.066 15.337 -5.622 1.00 0.00 C ATOM 1230 CD GLU A 77 -6.001 16.414 -6.114 1.00 0.00 C ATOM 1231 OE1 GLU A 77 -6.576 17.134 -5.273 1.00 0.00 O ATOM 1232 OE2 GLU A 77 -6.158 16.560 -7.341 1.00 0.00 O ATOM 0 H GLU A 77 -2.885 12.942 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.585 13.650 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.086 13.547 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.709 14.293 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.532 15.698 -4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.318 15.132 -6.388 1.00 0.00 H new ATOM 1239 N MET A 78 -5.220 11.190 -2.989 1.00 0.00 N ATOM 1240 CA MET A 78 -5.880 10.065 -2.360 1.00 0.00 C ATOM 1241 C MET A 78 -6.712 10.529 -1.183 1.00 0.00 C ATOM 1242 O MET A 78 -6.267 11.358 -0.376 1.00 0.00 O ATOM 1243 CB MET A 78 -4.840 9.064 -1.883 1.00 0.00 C ATOM 1244 CG MET A 78 -4.932 7.710 -2.543 1.00 0.00 C ATOM 1245 SD MET A 78 -3.474 6.707 -2.222 1.00 0.00 S ATOM 1246 CE MET A 78 -3.798 5.305 -3.275 1.00 0.00 C ATOM 0 H MET A 78 -4.262 11.337 -2.671 1.00 0.00 H new ATOM 0 HA MET A 78 -6.537 9.592 -3.090 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.847 9.476 -2.063 1.00 0.00 H new ATOM 0 HB3 MET A 78 -4.942 8.937 -0.805 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.818 7.189 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 78 -5.055 7.838 -3.618 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.973 4.597 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.722 4.819 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 78 -3.898 5.641 -4.307 1.00 0.00 H new ATOM 1256 N GLU A 79 -7.928 10.034 -1.090 1.00 0.00 N ATOM 1257 CA GLU A 79 -8.793 10.359 0.027 1.00 0.00 C ATOM 1258 C GLU A 79 -8.721 9.267 1.079 1.00 0.00 C ATOM 1259 O GLU A 79 -8.073 8.240 0.883 1.00 0.00 O ATOM 1260 CB GLU A 79 -10.235 10.520 -0.439 1.00 0.00 C ATOM 1261 CG GLU A 79 -10.417 11.543 -1.538 1.00 0.00 C ATOM 1262 CD GLU A 79 -11.869 11.786 -1.858 1.00 0.00 C ATOM 1263 OE1 GLU A 79 -12.498 12.620 -1.180 1.00 0.00 O ATOM 1264 OE2 GLU A 79 -12.395 11.145 -2.788 1.00 0.00 O ATOM 0 H GLU A 79 -8.342 9.403 -1.776 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.453 11.301 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.602 9.556 -0.790 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.852 10.804 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.951 12.482 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.901 11.204 -2.436 1.00 0.00 H new ATOM 1271 N ASP A 80 -9.384 9.480 2.199 1.00 0.00 N ATOM 1272 CA ASP A 80 -9.415 8.488 3.254 1.00 0.00 C ATOM 1273 C ASP A 80 -10.390 7.393 2.899 1.00 0.00 C ATOM 1274 O ASP A 80 -11.392 7.640 2.218 1.00 0.00 O ATOM 1275 CB ASP A 80 -9.817 9.108 4.601 1.00 0.00 C ATOM 1276 CG ASP A 80 -11.249 9.606 4.624 1.00 0.00 C ATOM 1277 OD1 ASP A 80 -11.580 10.530 3.852 1.00 0.00 O ATOM 1278 OD2 ASP A 80 -12.051 9.082 5.428 1.00 0.00 O ATOM 0 H ASP A 80 -9.908 10.331 2.401 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.410 8.077 3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -9.684 8.367 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.147 9.937 4.827 1.00 0.00 H new ATOM 1283 N GLU A 81 -10.082 6.177 3.328 1.00 0.00 N ATOM 1284 CA GLU A 81 -10.942 5.021 3.126 1.00 0.00 C ATOM 1285 C GLU A 81 -11.023 4.612 1.663 1.00 0.00 C ATOM 1286 O GLU A 81 -11.872 3.807 1.275 1.00 0.00 O ATOM 1287 CB GLU A 81 -12.321 5.294 3.705 1.00 0.00 C ATOM 1288 CG GLU A 81 -12.277 5.563 5.190 1.00 0.00 C ATOM 1289 CD GLU A 81 -11.983 4.317 5.984 1.00 0.00 C ATOM 1290 OE1 GLU A 81 -12.882 3.454 6.095 1.00 0.00 O ATOM 1291 OE2 GLU A 81 -10.860 4.193 6.495 1.00 0.00 O ATOM 0 H GLU A 81 -9.220 5.964 3.830 1.00 0.00 H new ATOM 0 HA GLU A 81 -10.500 4.177 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -12.763 6.151 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -12.969 4.439 3.512 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.515 6.314 5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -13.232 5.980 5.511 1.00 0.00 H new ATOM 1298 N ASP A 82 -10.127 5.143 0.845 1.00 0.00 N ATOM 1299 CA ASP A 82 -10.097 4.778 -0.553 1.00 0.00 C ATOM 1300 C ASP A 82 -9.360 3.452 -0.688 1.00 0.00 C ATOM 1301 O ASP A 82 -8.645 3.034 0.233 1.00 0.00 O ATOM 1302 CB ASP A 82 -9.435 5.866 -1.406 1.00 0.00 C ATOM 1303 CG ASP A 82 -9.995 5.899 -2.817 1.00 0.00 C ATOM 1304 OD1 ASP A 82 -9.894 4.881 -3.530 1.00 0.00 O ATOM 1305 OD2 ASP A 82 -10.554 6.939 -3.216 1.00 0.00 O ATOM 0 H ASP A 82 -9.419 5.821 1.127 1.00 0.00 H new ATOM 0 HA ASP A 82 -11.118 4.673 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.583 6.837 -0.934 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.360 5.692 -1.446 1.00 0.00 H new ATOM 1310 N THR A 83 -9.513 2.781 -1.799 1.00 0.00 N ATOM 1311 CA THR A 83 -8.949 1.461 -1.939 1.00 0.00 C ATOM 1312 C THR A 83 -8.030 1.329 -3.157 1.00 0.00 C ATOM 1313 O THR A 83 -8.287 1.887 -4.225 1.00 0.00 O ATOM 1314 CB THR A 83 -10.070 0.410 -2.005 1.00 0.00 C ATOM 1315 OG1 THR A 83 -11.000 0.650 -0.936 1.00 0.00 O ATOM 1316 CG2 THR A 83 -9.514 -0.995 -1.873 1.00 0.00 C ATOM 0 H THR A 83 -10.019 3.122 -2.616 1.00 0.00 H new ATOM 0 HA THR A 83 -8.331 1.288 -1.058 1.00 0.00 H new ATOM 0 HB THR A 83 -10.566 0.494 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.719 -0.015 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.330 -1.716 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 83 -8.811 -1.186 -2.684 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.001 -1.095 -0.917 1.00 0.00 H new ATOM 1324 N ILE A 84 -6.955 0.577 -2.977 1.00 0.00 N ATOM 1325 CA ILE A 84 -5.996 0.312 -4.026 1.00 0.00 C ATOM 1326 C ILE A 84 -6.243 -1.079 -4.585 1.00 0.00 C ATOM 1327 O ILE A 84 -6.447 -2.029 -3.833 1.00 0.00 O ATOM 1328 CB ILE A 84 -4.522 0.401 -3.519 1.00 0.00 C ATOM 1329 CG1 ILE A 84 -4.157 1.828 -3.086 1.00 0.00 C ATOM 1330 CG2 ILE A 84 -3.556 -0.078 -4.589 1.00 0.00 C ATOM 1331 CD1 ILE A 84 -4.676 2.223 -1.720 1.00 0.00 C ATOM 0 H ILE A 84 -6.726 0.132 -2.088 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.129 1.073 -4.795 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.440 -0.249 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.072 1.929 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.546 2.529 -3.825 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.535 -0.008 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.779 -1.114 -4.843 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.660 0.544 -5.478 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.371 3.245 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.764 2.159 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.267 1.550 -0.967 1.00 0.00 H new ATOM 1343 N ASP A 85 -6.229 -1.204 -5.893 1.00 0.00 N ATOM 1344 CA ASP A 85 -6.478 -2.481 -6.545 1.00 0.00 C ATOM 1345 C ASP A 85 -5.163 -3.200 -6.823 1.00 0.00 C ATOM 1346 O ASP A 85 -4.288 -2.676 -7.498 1.00 0.00 O ATOM 1347 CB ASP A 85 -7.249 -2.268 -7.851 1.00 0.00 C ATOM 1348 CG ASP A 85 -8.571 -1.555 -7.641 1.00 0.00 C ATOM 1349 OD1 ASP A 85 -9.579 -2.234 -7.358 1.00 0.00 O ATOM 1350 OD2 ASP A 85 -8.607 -0.307 -7.759 1.00 0.00 O ATOM 0 H ASP A 85 -6.047 -0.433 -6.535 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.080 -3.099 -5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.634 -1.689 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.433 -3.234 -8.321 1.00 0.00 H new ATOM 1355 N VAL A 86 -5.014 -4.396 -6.282 1.00 0.00 N ATOM 1356 CA VAL A 86 -3.790 -5.169 -6.474 1.00 0.00 C ATOM 1357 C VAL A 86 -4.009 -6.369 -7.395 1.00 0.00 C ATOM 1358 O VAL A 86 -5.013 -7.088 -7.286 1.00 0.00 O ATOM 1359 CB VAL A 86 -3.209 -5.642 -5.117 1.00 0.00 C ATOM 1360 CG1 VAL A 86 -2.137 -6.700 -5.309 1.00 0.00 C ATOM 1361 CG2 VAL A 86 -2.647 -4.463 -4.359 1.00 0.00 C ATOM 0 H VAL A 86 -5.720 -4.856 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 86 -3.071 -4.504 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.019 -6.090 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.752 -7.008 -4.337 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.564 -7.563 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.324 -6.290 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.241 -4.803 -3.407 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.855 -3.997 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.439 -3.737 -4.177 1.00 0.00 H new ATOM 1371 N PHE A 87 -3.040 -6.610 -8.277 1.00 0.00 N ATOM 1372 CA PHE A 87 -3.113 -7.702 -9.247 1.00 0.00 C ATOM 1373 C PHE A 87 -1.813 -8.508 -9.221 1.00 0.00 C ATOM 1374 O PHE A 87 -0.754 -7.982 -8.856 1.00 0.00 O ATOM 1375 CB PHE A 87 -3.365 -7.145 -10.654 1.00 0.00 C ATOM 1376 CG PHE A 87 -4.592 -6.285 -10.742 1.00 0.00 C ATOM 1377 CD1 PHE A 87 -4.516 -4.927 -10.483 1.00 0.00 C ATOM 1378 CD2 PHE A 87 -5.820 -6.832 -11.065 1.00 0.00 C ATOM 1379 CE1 PHE A 87 -5.638 -4.134 -10.544 1.00 0.00 C ATOM 1380 CE2 PHE A 87 -6.950 -6.041 -11.130 1.00 0.00 C ATOM 1381 CZ PHE A 87 -6.859 -4.690 -10.867 1.00 0.00 C ATOM 0 H PHE A 87 -2.186 -6.056 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.941 -8.358 -8.980 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.498 -6.563 -10.967 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -3.461 -7.975 -11.354 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.564 -4.485 -10.230 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.896 -7.890 -11.269 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.564 -3.076 -10.339 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.903 -6.479 -11.386 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.741 -4.069 -10.914 1.00 0.00 H new ATOM 1391 N GLN A 88 -1.888 -9.788 -9.579 1.00 0.00 N ATOM 1392 CA GLN A 88 -0.719 -10.668 -9.580 1.00 0.00 C ATOM 1393 C GLN A 88 -0.204 -10.930 -10.994 1.00 0.00 C ATOM 1394 O GLN A 88 -0.880 -11.550 -11.816 1.00 0.00 O ATOM 1395 CB GLN A 88 -1.043 -12.011 -8.904 1.00 0.00 C ATOM 1396 CG GLN A 88 -0.831 -12.043 -7.393 1.00 0.00 C ATOM 1397 CD GLN A 88 -1.785 -11.153 -6.622 1.00 0.00 C ATOM 1398 OE1 GLN A 88 -2.873 -11.571 -6.242 1.00 0.00 O ATOM 1399 NE2 GLN A 88 -1.379 -9.928 -6.374 1.00 0.00 N ATOM 0 H GLN A 88 -2.752 -10.242 -9.874 1.00 0.00 H new ATOM 0 HA GLN A 88 0.060 -10.154 -9.017 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.082 -12.265 -9.115 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.427 -12.787 -9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.942 -13.069 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.192 -11.740 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.467 -9.616 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.976 -9.289 -5.849 1.00 0.00 H new