USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 465 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 65 CYS SG : rot 120:sc= -1.29! USER MOD Set 1.2: A 68 CYS SG : rot -37:sc= -0.74 USER MOD Set 1.3: A 81 HIS : no HD1:sc= -7.58! C(o=-14!,f=-12!) USER MOD Set 1.4: A 86 HIS : no HD1:sc= -4.74! C(o=-14!,f=-12!) USER MOD Set 2.1: A 64 THR OG1 : rot 32:sc= 0.423 USER MOD Set 2.2: A 71 GLN : amide:sc= 0 X(o=0.42,f=0.41) USER MOD Set 3.1: A 37 CYS SG : rot 155:sc= 0.562 USER MOD Set 3.2: A 40 CYS SG : rot -57:sc= 0.865 USER MOD Set 3.3: A 54 HIS : no HD1:sc= 0.0203 K(o=1.4,f=0.43) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.68 K(o=-2.7,f=-3.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -128:sc= 1 (180deg=-0.47) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0417) USER MOD Single : A 47 THR OG1 : rot -169:sc=-0.00218 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 163:sc= -1.03 (180deg=-1.39) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 67 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0796) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -119:sc= 0 (180deg=-0.0365) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -170:sc= -0.196 (180deg=-0.33) USER MOD Single : A 85 ASN : amide:sc= -0.0504 X(o=-0.05,f=0) USER MOD ----------------------------------------------------------------- ATOM 262 N SER A 20 -4.534 9.384 -0.009 1.00 0.00 N ATOM 263 CA SER A 20 -4.834 9.367 -1.436 1.00 0.00 C ATOM 264 C SER A 20 -4.319 8.086 -2.084 1.00 0.00 C ATOM 265 O SER A 20 -3.688 7.255 -1.429 1.00 0.00 O ATOM 266 CB SER A 20 -4.214 10.585 -2.124 1.00 0.00 C ATOM 267 OG SER A 20 -5.104 11.688 -2.107 1.00 0.00 O ATOM 0 HA SER A 20 -5.917 9.404 -1.555 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.285 10.856 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.960 10.335 -3.154 1.00 0.00 H new ATOM 0 HG SER A 20 -4.684 12.454 -2.551 1.00 0.00 H new ATOM 273 N LEU A 21 -4.592 7.932 -3.375 1.00 0.00 N ATOM 274 CA LEU A 21 -4.156 6.752 -4.114 1.00 0.00 C ATOM 275 C LEU A 21 -2.682 6.859 -4.491 1.00 0.00 C ATOM 276 O LEU A 21 -1.930 5.893 -4.370 1.00 0.00 O ATOM 277 CB LEU A 21 -5.005 6.574 -5.375 1.00 0.00 C ATOM 278 CG LEU A 21 -6.337 5.846 -5.189 1.00 0.00 C ATOM 279 CD1 LEU A 21 -7.122 5.830 -6.492 1.00 0.00 C ATOM 280 CD2 LEU A 21 -6.105 4.428 -4.687 1.00 0.00 C ATOM 0 H LEU A 21 -5.113 8.609 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.285 5.882 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.208 7.559 -5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.415 6.029 -6.112 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.922 6.383 -4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.067 5.308 -6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.320 6.854 -6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.543 5.317 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.064 3.925 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.501 3.880 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.584 4.461 -3.730 1.00 0.00 H new ATOM 292 N GLU A 22 -2.277 8.040 -4.947 1.00 0.00 N ATOM 293 CA GLU A 22 -0.892 8.273 -5.340 1.00 0.00 C ATOM 294 C GLU A 22 0.071 7.709 -4.298 1.00 0.00 C ATOM 295 O GLU A 22 1.118 7.162 -4.639 1.00 0.00 O ATOM 296 CB GLU A 22 -0.637 9.769 -5.529 1.00 0.00 C ATOM 297 CG GLU A 22 -1.260 10.337 -6.793 1.00 0.00 C ATOM 298 CD GLU A 22 -1.368 11.850 -6.762 1.00 0.00 C ATOM 299 OE1 GLU A 22 -0.472 12.497 -6.180 1.00 0.00 O ATOM 300 OE2 GLU A 22 -2.348 12.386 -7.320 1.00 0.00 O ATOM 0 H GLU A 22 -2.888 8.850 -5.053 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.718 7.760 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.030 10.308 -4.667 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.438 9.946 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.663 10.037 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.253 9.908 -6.928 1.00 0.00 H new ATOM 307 N GLU A 23 -0.294 7.849 -3.027 1.00 0.00 N ATOM 308 CA GLU A 23 0.539 7.356 -1.936 1.00 0.00 C ATOM 309 C GLU A 23 0.672 5.837 -1.998 1.00 0.00 C ATOM 310 O GLU A 23 1.780 5.303 -2.037 1.00 0.00 O ATOM 311 CB GLU A 23 -0.051 7.773 -0.587 1.00 0.00 C ATOM 312 CG GLU A 23 0.612 7.098 0.602 1.00 0.00 C ATOM 313 CD GLU A 23 0.553 7.942 1.860 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.475 8.619 2.071 1.00 0.00 O ATOM 315 OE2 GLU A 23 1.533 7.926 2.633 1.00 0.00 O ATOM 0 H GLU A 23 -1.159 8.299 -2.728 1.00 0.00 H new ATOM 0 HA GLU A 23 1.531 7.795 -2.042 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.041 8.854 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.116 7.541 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.126 6.140 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.653 6.885 0.360 1.00 0.00 H new ATOM 322 N GLN A 24 -0.465 5.149 -2.005 1.00 0.00 N ATOM 323 CA GLN A 24 -0.475 3.692 -2.060 1.00 0.00 C ATOM 324 C GLN A 24 0.457 3.182 -3.155 1.00 0.00 C ATOM 325 O GLN A 24 1.423 2.470 -2.879 1.00 0.00 O ATOM 326 CB GLN A 24 -1.895 3.179 -2.304 1.00 0.00 C ATOM 327 CG GLN A 24 -2.856 3.486 -1.167 1.00 0.00 C ATOM 328 CD GLN A 24 -4.286 3.654 -1.642 1.00 0.00 C ATOM 329 OE1 GLN A 24 -4.821 4.763 -1.657 1.00 0.00 O ATOM 330 NE2 GLN A 24 -4.914 2.552 -2.032 1.00 0.00 N ATOM 0 H GLN A 24 -1.390 5.577 -1.973 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.120 3.315 -1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.279 3.621 -3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.861 2.101 -2.459 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.813 2.682 -0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.536 4.397 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.432 1.653 -2.003 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.878 2.604 -2.361 1.00 0.00 H new ATOM 339 N TRP A 25 0.161 3.551 -4.396 1.00 0.00 N ATOM 340 CA TRP A 25 0.973 3.131 -5.532 1.00 0.00 C ATOM 341 C TRP A 25 2.457 3.339 -5.248 1.00 0.00 C ATOM 342 O TRP A 25 3.270 2.437 -5.449 1.00 0.00 O ATOM 343 CB TRP A 25 0.568 3.903 -6.788 1.00 0.00 C ATOM 344 CG TRP A 25 -0.901 3.838 -7.078 1.00 0.00 C ATOM 345 CD1 TRP A 25 -1.757 2.826 -6.748 1.00 0.00 C ATOM 346 CD2 TRP A 25 -1.685 4.823 -7.759 1.00 0.00 C ATOM 347 NE1 TRP A 25 -3.026 3.124 -7.182 1.00 0.00 N ATOM 348 CE2 TRP A 25 -3.009 4.344 -7.805 1.00 0.00 C ATOM 349 CE3 TRP A 25 -1.398 6.065 -8.332 1.00 0.00 C ATOM 350 CZ2 TRP A 25 -4.040 5.063 -8.402 1.00 0.00 C ATOM 351 CZ3 TRP A 25 -2.423 6.778 -8.925 1.00 0.00 C ATOM 352 CH2 TRP A 25 -3.731 6.276 -8.956 1.00 0.00 C ATOM 0 H TRP A 25 -0.635 4.140 -4.641 1.00 0.00 H new ATOM 0 HA TRP A 25 0.800 2.067 -5.697 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.863 4.946 -6.675 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.117 3.507 -7.642 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.477 1.924 -6.223 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.848 2.532 -7.060 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -0.393 6.461 -8.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -5.049 4.678 -8.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.212 7.738 -9.372 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -4.510 6.857 -9.426 1.00 0.00 H new ATOM 363 N TYR A 26 2.803 4.534 -4.780 1.00 0.00 N ATOM 364 CA TYR A 26 4.189 4.861 -4.471 1.00 0.00 C ATOM 365 C TYR A 26 4.828 3.771 -3.615 1.00 0.00 C ATOM 366 O TYR A 26 5.939 3.318 -3.894 1.00 0.00 O ATOM 367 CB TYR A 26 4.269 6.206 -3.747 1.00 0.00 C ATOM 368 CG TYR A 26 5.674 6.597 -3.348 1.00 0.00 C ATOM 369 CD1 TYR A 26 6.603 6.993 -4.302 1.00 0.00 C ATOM 370 CD2 TYR A 26 6.073 6.569 -2.017 1.00 0.00 C ATOM 371 CE1 TYR A 26 7.888 7.350 -3.943 1.00 0.00 C ATOM 372 CE2 TYR A 26 7.355 6.926 -1.648 1.00 0.00 C ATOM 373 CZ TYR A 26 8.259 7.316 -2.614 1.00 0.00 C ATOM 374 OH TYR A 26 9.538 7.671 -2.251 1.00 0.00 O ATOM 0 H TYR A 26 2.142 5.291 -4.607 1.00 0.00 H new ATOM 0 HA TYR A 26 4.738 4.929 -5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.854 6.981 -4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.645 6.166 -2.854 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.315 7.022 -5.343 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.368 6.263 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.598 7.654 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.648 6.900 -0.609 1.00 0.00 H new ATOM 0 HH TYR A 26 9.636 7.594 -1.279 1.00 0.00 H new ATOM 384 N LEU A 27 4.119 3.355 -2.573 1.00 0.00 N ATOM 385 CA LEU A 27 4.614 2.317 -1.675 1.00 0.00 C ATOM 386 C LEU A 27 4.925 1.036 -2.442 1.00 0.00 C ATOM 387 O LEU A 27 6.000 0.456 -2.290 1.00 0.00 O ATOM 388 CB LEU A 27 3.588 2.031 -0.578 1.00 0.00 C ATOM 389 CG LEU A 27 3.227 3.210 0.327 1.00 0.00 C ATOM 390 CD1 LEU A 27 1.944 2.922 1.092 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.366 3.513 1.289 1.00 0.00 C ATOM 0 H LEU A 27 3.199 3.720 -2.328 1.00 0.00 H new ATOM 0 HA LEU A 27 5.535 2.677 -1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.675 1.667 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.969 1.223 0.046 1.00 0.00 H new ATOM 0 HG LEU A 27 3.064 4.087 -0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.703 3.772 1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.130 2.755 0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.079 2.032 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.091 4.355 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.561 2.638 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.263 3.764 0.723 1.00 0.00 H new ATOM 403 N GLU A 28 3.978 0.602 -3.268 1.00 0.00 N ATOM 404 CA GLU A 28 4.153 -0.610 -4.061 1.00 0.00 C ATOM 405 C GLU A 28 5.453 -0.556 -4.857 1.00 0.00 C ATOM 406 O GLU A 28 5.931 -1.577 -5.354 1.00 0.00 O ATOM 407 CB GLU A 28 2.968 -0.800 -5.010 1.00 0.00 C ATOM 408 CG GLU A 28 2.995 -2.122 -5.759 1.00 0.00 C ATOM 409 CD GLU A 28 1.607 -2.617 -6.118 1.00 0.00 C ATOM 410 OE1 GLU A 28 0.704 -1.774 -6.297 1.00 0.00 O ATOM 411 OE2 GLU A 28 1.426 -3.849 -6.218 1.00 0.00 O ATOM 0 H GLU A 28 3.083 1.071 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 28 4.201 -1.458 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.042 -0.734 -4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.956 0.017 -5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.583 -2.007 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.497 -2.872 -5.148 1.00 0.00 H new ATOM 418 N ILE A 29 6.020 0.640 -4.974 1.00 0.00 N ATOM 419 CA ILE A 29 7.265 0.826 -5.709 1.00 0.00 C ATOM 420 C ILE A 29 8.463 0.845 -4.766 1.00 0.00 C ATOM 421 O ILE A 29 9.461 0.164 -5.000 1.00 0.00 O ATOM 422 CB ILE A 29 7.247 2.133 -6.524 1.00 0.00 C ATOM 423 CG1 ILE A 29 6.008 2.184 -7.421 1.00 0.00 C ATOM 424 CG2 ILE A 29 8.515 2.256 -7.356 1.00 0.00 C ATOM 425 CD1 ILE A 29 5.546 3.590 -7.735 1.00 0.00 C ATOM 0 H ILE A 29 5.637 1.494 -4.569 1.00 0.00 H new ATOM 0 HA ILE A 29 7.357 -0.018 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 29 7.206 2.974 -5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.224 1.664 -8.355 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.196 1.643 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.487 3.185 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.383 2.260 -6.697 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.584 1.411 -8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.664 3.549 -8.375 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.298 4.107 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.342 4.128 -8.249 1.00 0.00 H new ATOM 437 N VAL A 30 8.355 1.628 -3.697 1.00 0.00 N ATOM 438 CA VAL A 30 9.428 1.733 -2.716 1.00 0.00 C ATOM 439 C VAL A 30 9.640 0.410 -1.989 1.00 0.00 C ATOM 440 O VAL A 30 10.681 0.189 -1.370 1.00 0.00 O ATOM 441 CB VAL A 30 9.135 2.834 -1.680 1.00 0.00 C ATOM 442 CG1 VAL A 30 8.554 4.065 -2.358 1.00 0.00 C ATOM 443 CG2 VAL A 30 8.195 2.315 -0.602 1.00 0.00 C ATOM 0 H VAL A 30 7.536 2.199 -3.489 1.00 0.00 H new ATOM 0 HA VAL A 30 10.334 1.992 -3.264 1.00 0.00 H new ATOM 0 HB VAL A 30 10.073 3.120 -1.205 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.354 4.832 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.266 4.448 -3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.625 3.798 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.999 3.106 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.257 2.000 -1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.655 1.466 -0.096 1.00 0.00 H new ATOM 453 N ASP A 31 8.646 -0.468 -2.068 1.00 0.00 N ATOM 454 CA ASP A 31 8.723 -1.772 -1.419 1.00 0.00 C ATOM 455 C ASP A 31 9.156 -2.848 -2.409 1.00 0.00 C ATOM 456 O ASP A 31 9.912 -3.756 -2.065 1.00 0.00 O ATOM 457 CB ASP A 31 7.371 -2.140 -0.805 1.00 0.00 C ATOM 458 CG ASP A 31 7.511 -3.057 0.394 1.00 0.00 C ATOM 459 OD1 ASP A 31 7.719 -4.271 0.191 1.00 0.00 O ATOM 460 OD2 ASP A 31 7.412 -2.561 1.536 1.00 0.00 O ATOM 0 H ASP A 31 7.777 -0.300 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 31 9.469 -1.712 -0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.852 -1.230 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.752 -2.625 -1.560 1.00 0.00 H new ATOM 465 N LYS A 32 8.672 -2.739 -3.642 1.00 0.00 N ATOM 466 CA LYS A 32 9.008 -3.702 -4.684 1.00 0.00 C ATOM 467 C LYS A 32 9.920 -3.073 -5.732 1.00 0.00 C ATOM 468 O LYS A 32 11.021 -3.561 -5.984 1.00 0.00 O ATOM 469 CB LYS A 32 7.735 -4.228 -5.351 1.00 0.00 C ATOM 470 CG LYS A 32 6.638 -4.591 -4.366 1.00 0.00 C ATOM 471 CD LYS A 32 7.074 -5.708 -3.432 1.00 0.00 C ATOM 472 CE LYS A 32 6.360 -5.625 -2.092 1.00 0.00 C ATOM 473 NZ LYS A 32 6.946 -6.559 -1.092 1.00 0.00 N ATOM 0 H LYS A 32 8.045 -1.993 -3.944 1.00 0.00 H new ATOM 0 HA LYS A 32 9.537 -4.533 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.357 -3.473 -6.040 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.983 -5.107 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.367 -3.712 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.746 -4.899 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.868 -6.673 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.151 -5.653 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.417 -4.605 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.303 -5.856 -2.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.191 -7.141 -0.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.641 -7.176 -1.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.416 -6.014 -0.342 1.00 0.00 H new ATOM 487 N GLY A 33 9.456 -1.984 -6.339 1.00 0.00 N ATOM 488 CA GLY A 33 10.244 -1.306 -7.351 1.00 0.00 C ATOM 489 C GLY A 33 9.385 -0.695 -8.441 1.00 0.00 C ATOM 490 O GLY A 33 9.846 0.160 -9.197 1.00 0.00 O ATOM 0 H GLY A 33 8.548 -1.560 -6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.839 -0.524 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.943 -2.013 -7.797 1.00 0.00 H new ATOM 494 N SER A 34 8.134 -1.134 -8.522 1.00 0.00 N ATOM 495 CA SER A 34 7.210 -0.629 -9.531 1.00 0.00 C ATOM 496 C SER A 34 5.763 -0.830 -9.093 1.00 0.00 C ATOM 497 O SER A 34 5.489 -1.530 -8.118 1.00 0.00 O ATOM 498 CB SER A 34 7.452 -1.328 -10.870 1.00 0.00 C ATOM 499 OG SER A 34 6.960 -2.657 -10.847 1.00 0.00 O ATOM 0 H SER A 34 7.736 -1.839 -7.901 1.00 0.00 H new ATOM 0 HA SER A 34 7.389 0.440 -9.650 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.964 -0.770 -11.669 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.519 -1.336 -11.092 1.00 0.00 H new ATOM 0 HG SER A 34 7.125 -3.082 -11.715 1.00 0.00 H new ATOM 505 N VAL A 35 4.839 -0.211 -9.821 1.00 0.00 N ATOM 506 CA VAL A 35 3.419 -0.322 -9.509 1.00 0.00 C ATOM 507 C VAL A 35 2.631 -0.832 -10.711 1.00 0.00 C ATOM 508 O VAL A 35 2.940 -0.500 -11.855 1.00 0.00 O ATOM 509 CB VAL A 35 2.835 1.031 -9.062 1.00 0.00 C ATOM 510 CG1 VAL A 35 2.781 2.002 -10.231 1.00 0.00 C ATOM 511 CG2 VAL A 35 1.454 0.839 -8.453 1.00 0.00 C ATOM 0 H VAL A 35 5.048 0.373 -10.631 1.00 0.00 H new ATOM 0 HA VAL A 35 3.329 -1.036 -8.690 1.00 0.00 H new ATOM 0 HB VAL A 35 3.488 1.455 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.366 2.952 -9.896 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.787 2.162 -10.618 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.151 1.588 -11.019 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.056 1.805 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.789 0.393 -9.193 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.527 0.181 -7.587 1.00 0.00 H new ATOM 521 N SER A 36 1.610 -1.640 -10.443 1.00 0.00 N ATOM 522 CA SER A 36 0.779 -2.198 -11.502 1.00 0.00 C ATOM 523 C SER A 36 -0.520 -1.410 -11.646 1.00 0.00 C ATOM 524 O SER A 36 -1.020 -0.833 -10.680 1.00 0.00 O ATOM 525 CB SER A 36 0.467 -3.668 -11.214 1.00 0.00 C ATOM 526 OG SER A 36 -0.222 -4.266 -12.299 1.00 0.00 O ATOM 0 H SER A 36 1.339 -1.922 -9.501 1.00 0.00 H new ATOM 0 HA SER A 36 1.332 -2.128 -12.439 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.394 -4.209 -11.025 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.137 -3.744 -10.310 1.00 0.00 H new ATOM 0 HG SER A 36 -0.408 -5.205 -12.091 1.00 0.00 H new ATOM 532 N CYS A 37 -1.061 -1.390 -12.860 1.00 0.00 N ATOM 533 CA CYS A 37 -2.301 -0.674 -13.133 1.00 0.00 C ATOM 534 C CYS A 37 -3.427 -1.171 -12.231 1.00 0.00 C ATOM 535 O CYS A 37 -3.848 -2.325 -12.301 1.00 0.00 O ATOM 536 CB CYS A 37 -2.698 -0.840 -14.601 1.00 0.00 C ATOM 537 SG CYS A 37 -4.131 0.166 -15.102 1.00 0.00 S ATOM 0 H CYS A 37 -0.660 -1.862 -13.670 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.133 0.383 -12.926 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.846 -0.578 -15.228 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.921 -1.890 -14.789 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.079 0.388 -16.382 1.00 0.00 H new ATOM 542 N PRO A 38 -3.926 -0.279 -11.362 1.00 0.00 N ATOM 543 CA PRO A 38 -5.010 -0.603 -10.430 1.00 0.00 C ATOM 544 C PRO A 38 -6.344 -0.806 -11.140 1.00 0.00 C ATOM 545 O PRO A 38 -7.345 -1.159 -10.515 1.00 0.00 O ATOM 546 CB PRO A 38 -5.072 0.623 -9.517 1.00 0.00 C ATOM 547 CG PRO A 38 -4.517 1.735 -10.338 1.00 0.00 C ATOM 548 CD PRO A 38 -3.472 1.115 -11.224 1.00 0.00 C ATOM 0 HA PRO A 38 -4.825 -1.537 -9.900 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.095 0.833 -9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.487 0.471 -8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.299 2.210 -10.931 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.083 2.508 -9.705 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.415 1.617 -12.190 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.480 1.172 -10.776 1.00 0.00 H new ATOM 556 N THR A 39 -6.352 -0.581 -12.450 1.00 0.00 N ATOM 557 CA THR A 39 -7.564 -0.738 -13.246 1.00 0.00 C ATOM 558 C THR A 39 -7.621 -2.117 -13.894 1.00 0.00 C ATOM 559 O THR A 39 -8.536 -2.899 -13.634 1.00 0.00 O ATOM 560 CB THR A 39 -7.658 0.337 -14.344 1.00 0.00 C ATOM 561 OG1 THR A 39 -7.479 1.638 -13.772 1.00 0.00 O ATOM 562 CG2 THR A 39 -9.002 0.270 -15.053 1.00 0.00 C ATOM 0 H THR A 39 -5.533 -0.289 -12.983 1.00 0.00 H new ATOM 0 HA THR A 39 -8.407 -0.625 -12.564 1.00 0.00 H new ATOM 0 HB THR A 39 -6.870 0.150 -15.074 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.538 2.316 -14.477 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.045 1.039 -15.824 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.123 -0.711 -15.512 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.802 0.434 -14.332 1.00 0.00 H new ATOM 570 N CYS A 40 -6.638 -2.409 -14.739 1.00 0.00 N ATOM 571 CA CYS A 40 -6.575 -3.694 -15.425 1.00 0.00 C ATOM 572 C CYS A 40 -5.606 -4.640 -14.722 1.00 0.00 C ATOM 573 O CYS A 40 -5.809 -5.853 -14.707 1.00 0.00 O ATOM 574 CB CYS A 40 -6.148 -3.498 -16.881 1.00 0.00 C ATOM 575 SG CYS A 40 -4.453 -2.862 -17.079 1.00 0.00 S ATOM 0 H CYS A 40 -5.874 -1.773 -14.965 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.570 -4.139 -15.402 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.231 -4.451 -17.404 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.842 -2.809 -17.362 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.332 -1.741 -16.432 1.00 0.00 H new ATOM 580 N GLN A 41 -4.553 -4.074 -14.140 1.00 0.00 N ATOM 581 CA GLN A 41 -3.552 -4.867 -13.436 1.00 0.00 C ATOM 582 C GLN A 41 -2.821 -5.799 -14.397 1.00 0.00 C ATOM 583 O GLN A 41 -2.498 -6.934 -14.050 1.00 0.00 O ATOM 584 CB GLN A 41 -4.209 -5.680 -12.319 1.00 0.00 C ATOM 585 CG GLN A 41 -4.926 -4.826 -11.286 1.00 0.00 C ATOM 586 CD GLN A 41 -5.402 -5.631 -10.093 1.00 0.00 C ATOM 587 OE1 GLN A 41 -5.770 -6.799 -10.224 1.00 0.00 O ATOM 588 NE2 GLN A 41 -5.399 -5.009 -8.919 1.00 0.00 N ATOM 0 H GLN A 41 -4.371 -3.070 -14.142 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.825 -4.183 -12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.922 -6.377 -12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.446 -6.277 -11.819 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.256 -4.038 -10.944 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.780 -4.337 -11.754 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.086 -4.040 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.710 -5.500 -8.081 1.00 0.00 H new ATOM 597 N ALA A 42 -2.563 -5.310 -15.605 1.00 0.00 N ATOM 598 CA ALA A 42 -1.869 -6.099 -16.616 1.00 0.00 C ATOM 599 C ALA A 42 -0.434 -5.614 -16.800 1.00 0.00 C ATOM 600 O ALA A 42 0.474 -6.409 -17.044 1.00 0.00 O ATOM 601 CB ALA A 42 -2.620 -6.043 -17.937 1.00 0.00 C ATOM 0 H ALA A 42 -2.824 -4.372 -15.908 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.835 -7.133 -16.274 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.090 -6.636 -18.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.625 -6.443 -17.802 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.684 -5.009 -18.276 1.00 0.00 H new ATOM 607 N VAL A 43 -0.237 -4.305 -16.681 1.00 0.00 N ATOM 608 CA VAL A 43 1.087 -3.714 -16.835 1.00 0.00 C ATOM 609 C VAL A 43 1.335 -2.641 -15.781 1.00 0.00 C ATOM 610 O VAL A 43 0.396 -2.067 -15.231 1.00 0.00 O ATOM 611 CB VAL A 43 1.268 -3.097 -18.234 1.00 0.00 C ATOM 612 CG1 VAL A 43 1.129 -4.163 -19.310 1.00 0.00 C ATOM 613 CG2 VAL A 43 0.267 -1.973 -18.453 1.00 0.00 C ATOM 0 H VAL A 43 -0.978 -3.633 -16.478 1.00 0.00 H new ATOM 0 HA VAL A 43 1.810 -4.519 -16.706 1.00 0.00 H new ATOM 0 HB VAL A 43 2.272 -2.677 -18.300 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.260 -3.708 -20.292 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.888 -4.931 -19.162 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.139 -4.615 -19.249 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.409 -1.548 -19.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.746 -2.366 -18.368 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.420 -1.198 -17.702 1.00 0.00 H new ATOM 623 N GLY A 44 2.608 -2.372 -15.505 1.00 0.00 N ATOM 624 CA GLY A 44 2.957 -1.367 -14.519 1.00 0.00 C ATOM 625 C GLY A 44 4.044 -0.429 -15.006 1.00 0.00 C ATOM 626 O GLY A 44 4.415 -0.455 -16.179 1.00 0.00 O ATOM 0 H GLY A 44 3.403 -2.833 -15.947 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.069 -0.788 -14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.289 -1.859 -13.605 1.00 0.00 H new ATOM 630 N ARG A 45 4.554 0.403 -14.104 1.00 0.00 N ATOM 631 CA ARG A 45 5.602 1.355 -14.449 1.00 0.00 C ATOM 632 C ARG A 45 6.558 1.560 -13.278 1.00 0.00 C ATOM 633 O ARG A 45 6.184 1.383 -12.118 1.00 0.00 O ATOM 634 CB ARG A 45 4.988 2.695 -14.860 1.00 0.00 C ATOM 635 CG ARG A 45 4.234 2.640 -16.178 1.00 0.00 C ATOM 636 CD ARG A 45 5.154 2.907 -17.359 1.00 0.00 C ATOM 637 NE ARG A 45 5.907 1.717 -17.746 1.00 0.00 N ATOM 638 CZ ARG A 45 7.048 1.758 -18.426 1.00 0.00 C ATOM 639 NH1 ARG A 45 7.564 2.923 -18.792 1.00 0.00 N ATOM 640 NH2 ARG A 45 7.675 0.631 -18.741 1.00 0.00 N ATOM 0 H ARG A 45 4.258 0.437 -13.128 1.00 0.00 H new ATOM 0 HA ARG A 45 6.165 0.948 -15.289 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.309 3.029 -14.076 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.780 3.440 -14.935 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.769 1.661 -16.292 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.429 3.375 -16.169 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.564 3.254 -18.207 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.848 3.708 -17.104 1.00 0.00 H new ATOM 0 HE ARG A 45 5.537 0.805 -17.480 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.085 3.791 -18.552 1.00 0.00 H new ATOM 0 HH12 ARG A 45 8.440 2.951 -19.314 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.281 -0.267 -18.461 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.551 0.663 -19.263 1.00 0.00 H new ATOM 654 N LYS A 46 7.795 1.933 -13.588 1.00 0.00 N ATOM 655 CA LYS A 46 8.806 2.163 -12.563 1.00 0.00 C ATOM 656 C LYS A 46 8.296 3.136 -11.505 1.00 0.00 C ATOM 657 O LYS A 46 8.426 2.890 -10.305 1.00 0.00 O ATOM 658 CB LYS A 46 10.089 2.707 -13.195 1.00 0.00 C ATOM 659 CG LYS A 46 11.017 1.623 -13.717 1.00 0.00 C ATOM 660 CD LYS A 46 11.972 1.140 -12.638 1.00 0.00 C ATOM 661 CE LYS A 46 13.263 0.604 -13.236 1.00 0.00 C ATOM 662 NZ LYS A 46 14.154 1.700 -13.707 1.00 0.00 N ATOM 0 H LYS A 46 8.122 2.083 -14.543 1.00 0.00 H new ATOM 0 HA LYS A 46 9.022 1.209 -12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.825 3.374 -14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.622 3.306 -12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.427 0.783 -14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.587 2.007 -14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.198 1.961 -11.957 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.491 0.360 -12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.787 0.005 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.029 -0.058 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.097 1.315 -13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.754 2.127 -14.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.234 2.425 -12.966 1.00 0.00 H new ATOM 676 N THR A 47 7.713 4.243 -11.956 1.00 0.00 N ATOM 677 CA THR A 47 7.183 5.252 -11.048 1.00 0.00 C ATOM 678 C THR A 47 5.784 5.687 -11.467 1.00 0.00 C ATOM 679 O THR A 47 5.409 5.569 -12.634 1.00 0.00 O ATOM 680 CB THR A 47 8.098 6.491 -10.990 1.00 0.00 C ATOM 681 OG1 THR A 47 8.777 6.657 -12.240 1.00 0.00 O ATOM 682 CG2 THR A 47 9.116 6.360 -9.868 1.00 0.00 C ATOM 0 H THR A 47 7.596 4.463 -12.945 1.00 0.00 H new ATOM 0 HA THR A 47 7.138 4.796 -10.059 1.00 0.00 H new ATOM 0 HB THR A 47 7.477 7.365 -10.795 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.480 7.333 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.750 7.246 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.596 6.263 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.732 5.477 -10.037 1.00 0.00 H new ATOM 690 N ILE A 48 5.015 6.191 -10.508 1.00 0.00 N ATOM 691 CA ILE A 48 3.656 6.646 -10.778 1.00 0.00 C ATOM 692 C ILE A 48 3.585 7.413 -12.094 1.00 0.00 C ATOM 693 O ILE A 48 2.750 7.121 -12.949 1.00 0.00 O ATOM 694 CB ILE A 48 3.126 7.543 -9.644 1.00 0.00 C ATOM 695 CG1 ILE A 48 3.280 6.840 -8.294 1.00 0.00 C ATOM 696 CG2 ILE A 48 1.671 7.909 -9.894 1.00 0.00 C ATOM 697 CD1 ILE A 48 2.649 7.594 -7.144 1.00 0.00 C ATOM 0 H ILE A 48 5.309 6.295 -9.537 1.00 0.00 H new ATOM 0 HA ILE A 48 3.032 5.755 -10.845 1.00 0.00 H new ATOM 0 HB ILE A 48 3.713 8.461 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.832 5.848 -8.357 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.341 6.698 -8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.311 8.543 -9.084 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.588 8.446 -10.839 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.070 7.001 -9.938 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.797 7.037 -6.219 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.113 8.576 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.581 7.713 -7.329 1.00 0.00 H new ATOM 709 N GLU A 49 4.468 8.395 -12.249 1.00 0.00 N ATOM 710 CA GLU A 49 4.505 9.204 -13.461 1.00 0.00 C ATOM 711 C GLU A 49 4.198 8.354 -14.691 1.00 0.00 C ATOM 712 O GLU A 49 3.359 8.716 -15.515 1.00 0.00 O ATOM 713 CB GLU A 49 5.875 9.868 -13.616 1.00 0.00 C ATOM 714 CG GLU A 49 7.033 8.885 -13.602 1.00 0.00 C ATOM 715 CD GLU A 49 8.377 9.570 -13.441 1.00 0.00 C ATOM 716 OE1 GLU A 49 8.867 10.153 -14.431 1.00 0.00 O ATOM 717 OE2 GLU A 49 8.939 9.522 -12.327 1.00 0.00 O ATOM 0 H GLU A 49 5.167 8.649 -11.551 1.00 0.00 H new ATOM 0 HA GLU A 49 3.742 9.978 -13.375 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.895 10.426 -14.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.013 10.590 -12.811 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.892 8.174 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.030 8.312 -14.529 1.00 0.00 H new ATOM 724 N GLY A 50 4.886 7.222 -14.808 1.00 0.00 N ATOM 725 CA GLY A 50 4.674 6.339 -15.940 1.00 0.00 C ATOM 726 C GLY A 50 3.261 5.793 -15.993 1.00 0.00 C ATOM 727 O GLY A 50 2.572 5.929 -17.005 1.00 0.00 O ATOM 0 H GLY A 50 5.586 6.901 -14.139 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.886 6.879 -16.863 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.379 5.509 -15.887 1.00 0.00 H new ATOM 731 N LEU A 51 2.827 5.173 -14.902 1.00 0.00 N ATOM 732 CA LEU A 51 1.486 4.603 -14.828 1.00 0.00 C ATOM 733 C LEU A 51 0.431 5.644 -15.186 1.00 0.00 C ATOM 734 O LEU A 51 -0.473 5.381 -15.979 1.00 0.00 O ATOM 735 CB LEU A 51 1.221 4.053 -13.425 1.00 0.00 C ATOM 736 CG LEU A 51 -0.245 3.810 -13.065 1.00 0.00 C ATOM 737 CD1 LEU A 51 -0.702 2.452 -13.574 1.00 0.00 C ATOM 738 CD2 LEU A 51 -0.450 3.915 -11.561 1.00 0.00 C ATOM 0 H LEU A 51 3.384 5.052 -14.056 1.00 0.00 H new ATOM 0 HA LEU A 51 1.424 3.788 -15.549 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.761 3.113 -13.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.642 4.748 -12.699 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.849 4.578 -13.548 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.748 2.297 -13.308 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.594 2.414 -14.658 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.093 1.670 -13.121 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.499 3.739 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.166 3.170 -11.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.164 4.911 -11.223 1.00 0.00 H new ATOM 750 N LYS A 52 0.553 6.829 -14.598 1.00 0.00 N ATOM 751 CA LYS A 52 -0.387 7.913 -14.857 1.00 0.00 C ATOM 752 C LYS A 52 -0.749 7.978 -16.337 1.00 0.00 C ATOM 753 O LYS A 52 -1.925 7.958 -16.701 1.00 0.00 O ATOM 754 CB LYS A 52 0.207 9.250 -14.408 1.00 0.00 C ATOM 755 CG LYS A 52 0.622 9.271 -12.947 1.00 0.00 C ATOM 756 CD LYS A 52 -0.505 9.762 -12.054 1.00 0.00 C ATOM 757 CE LYS A 52 -0.425 11.264 -11.829 1.00 0.00 C ATOM 758 NZ LYS A 52 -1.747 11.842 -11.464 1.00 0.00 N ATOM 0 H LYS A 52 1.295 7.063 -13.938 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.295 7.716 -14.287 1.00 0.00 H new ATOM 0 HB2 LYS A 52 1.075 9.479 -15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.525 10.039 -14.581 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.922 8.269 -12.639 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.492 9.916 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -1.464 9.512 -12.507 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.461 9.247 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.294 11.475 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.055 11.747 -12.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.650 12.867 -11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.427 11.664 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.089 11.400 -10.587 1.00 0.00 H new ATOM 772 N LYS A 53 0.269 8.053 -17.188 1.00 0.00 N ATOM 773 CA LYS A 53 0.059 8.117 -18.629 1.00 0.00 C ATOM 774 C LYS A 53 -0.713 6.897 -19.122 1.00 0.00 C ATOM 775 O LYS A 53 -1.511 6.990 -20.055 1.00 0.00 O ATOM 776 CB LYS A 53 1.402 8.212 -19.357 1.00 0.00 C ATOM 777 CG LYS A 53 1.965 9.622 -19.413 1.00 0.00 C ATOM 778 CD LYS A 53 1.496 10.360 -20.655 1.00 0.00 C ATOM 779 CE LYS A 53 0.216 11.138 -20.391 1.00 0.00 C ATOM 780 NZ LYS A 53 0.037 12.258 -21.356 1.00 0.00 N ATOM 0 H LYS A 53 1.248 8.071 -16.904 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.529 9.009 -18.846 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.122 7.562 -18.860 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.282 7.837 -20.373 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.658 10.173 -18.524 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.054 9.581 -19.403 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.276 11.044 -20.990 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.330 9.647 -21.462 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.638 10.464 -20.455 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.235 11.533 -19.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.847 12.763 -21.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.839 12.915 -21.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.007 11.879 -22.324 1.00 0.00 H new ATOM 794 N HIS A 54 -0.471 5.754 -18.488 1.00 0.00 N ATOM 795 CA HIS A 54 -1.146 4.516 -18.860 1.00 0.00 C ATOM 796 C HIS A 54 -2.620 4.561 -18.467 1.00 0.00 C ATOM 797 O HIS A 54 -3.498 4.284 -19.284 1.00 0.00 O ATOM 798 CB HIS A 54 -0.465 3.319 -18.196 1.00 0.00 C ATOM 799 CG HIS A 54 -1.242 2.045 -18.316 1.00 0.00 C ATOM 800 ND1 HIS A 54 -1.609 1.498 -19.528 1.00 0.00 N ATOM 801 CD2 HIS A 54 -1.722 1.208 -17.367 1.00 0.00 C ATOM 802 CE1 HIS A 54 -2.282 0.381 -19.319 1.00 0.00 C ATOM 803 NE2 HIS A 54 -2.364 0.182 -18.015 1.00 0.00 N ATOM 0 H HIS A 54 0.187 5.660 -17.715 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.080 4.407 -19.943 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.519 3.178 -18.642 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -0.307 3.541 -17.140 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.619 1.325 -16.298 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.695 -0.260 -20.083 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.829 -0.606 -17.563 1.00 0.00 H new ATOM 811 N MET A 55 -2.882 4.910 -17.212 1.00 0.00 N ATOM 812 CA MET A 55 -4.249 4.990 -16.711 1.00 0.00 C ATOM 813 C MET A 55 -4.962 6.216 -17.274 1.00 0.00 C ATOM 814 O MET A 55 -6.191 6.263 -17.318 1.00 0.00 O ATOM 815 CB MET A 55 -4.253 5.041 -15.182 1.00 0.00 C ATOM 816 CG MET A 55 -3.470 6.212 -14.611 1.00 0.00 C ATOM 817 SD MET A 55 -3.967 6.624 -12.927 1.00 0.00 S ATOM 818 CE MET A 55 -4.376 5.002 -12.288 1.00 0.00 C ATOM 0 H MET A 55 -2.166 5.142 -16.524 1.00 0.00 H new ATOM 0 HA MET A 55 -4.783 4.098 -17.038 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.283 5.098 -14.831 1.00 0.00 H new ATOM 0 HB3 MET A 55 -3.835 4.112 -14.795 1.00 0.00 H new ATOM 0 HG2 MET A 55 -2.406 5.974 -14.624 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.609 7.084 -15.250 1.00 0.00 H new ATOM 0 HE1 MET A 55 -4.408 5.037 -11.199 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.350 4.695 -12.670 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.620 4.284 -12.606 1.00 0.00 H new ATOM 828 N GLU A 56 -4.183 7.204 -17.703 1.00 0.00 N ATOM 829 CA GLU A 56 -4.742 8.429 -18.261 1.00 0.00 C ATOM 830 C GLU A 56 -5.727 8.116 -19.384 1.00 0.00 C ATOM 831 O GLU A 56 -6.522 8.966 -19.782 1.00 0.00 O ATOM 832 CB GLU A 56 -3.625 9.333 -18.786 1.00 0.00 C ATOM 833 CG GLU A 56 -3.108 10.323 -17.755 1.00 0.00 C ATOM 834 CD GLU A 56 -3.984 11.555 -17.639 1.00 0.00 C ATOM 835 OE1 GLU A 56 -4.397 12.092 -18.687 1.00 0.00 O ATOM 836 OE2 GLU A 56 -4.257 11.981 -16.497 1.00 0.00 O ATOM 0 H GLU A 56 -3.164 7.180 -17.675 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.277 8.948 -17.466 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.797 8.712 -19.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.991 9.882 -19.653 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.048 9.832 -16.784 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.096 10.625 -18.023 1.00 0.00 H new ATOM 958 N THR A 64 -19.646 6.576 -7.762 1.00 0.00 N ATOM 959 CA THR A 64 -19.537 6.400 -6.319 1.00 0.00 C ATOM 960 C THR A 64 -20.470 7.349 -5.577 1.00 0.00 C ATOM 961 O THR A 64 -20.321 8.569 -5.652 1.00 0.00 O ATOM 962 CB THR A 64 -18.094 6.632 -5.832 1.00 0.00 C ATOM 963 OG1 THR A 64 -17.164 6.130 -6.799 1.00 0.00 O ATOM 964 CG2 THR A 64 -17.858 5.951 -4.493 1.00 0.00 C ATOM 0 HA THR A 64 -19.824 5.371 -6.104 1.00 0.00 H new ATOM 0 HB THR A 64 -17.945 7.704 -5.707 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.542 6.229 -7.698 1.00 0.00 H new ATOM 0 HG21 THR A 64 -16.832 6.129 -4.170 1.00 0.00 H new ATOM 0 HG22 THR A 64 -18.547 6.356 -3.752 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.025 4.879 -4.596 1.00 0.00 H new ATOM 972 N CYS A 65 -21.434 6.782 -4.859 1.00 0.00 N ATOM 973 CA CYS A 65 -22.393 7.577 -4.101 1.00 0.00 C ATOM 974 C CYS A 65 -21.682 8.448 -3.069 1.00 0.00 C ATOM 975 O CYS A 65 -20.538 8.183 -2.699 1.00 0.00 O ATOM 976 CB CYS A 65 -23.406 6.666 -3.406 1.00 0.00 C ATOM 977 SG CYS A 65 -24.354 7.483 -2.082 1.00 0.00 S ATOM 0 H CYS A 65 -21.572 5.774 -4.786 1.00 0.00 H new ATOM 0 HA CYS A 65 -22.920 8.228 -4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -24.102 6.279 -4.151 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -22.880 5.809 -2.986 1.00 0.00 H new ATOM 0 HG CYS A 65 -25.622 7.442 -2.367 1.00 0.00 H new ATOM 982 N HIS A 66 -22.369 9.489 -2.608 1.00 0.00 N ATOM 983 CA HIS A 66 -21.804 10.399 -1.618 1.00 0.00 C ATOM 984 C HIS A 66 -22.414 10.149 -0.241 1.00 0.00 C ATOM 985 O HIS A 66 -21.726 10.230 0.777 1.00 0.00 O ATOM 986 CB HIS A 66 -22.038 11.850 -2.036 1.00 0.00 C ATOM 987 CG HIS A 66 -21.357 12.221 -3.317 1.00 0.00 C ATOM 988 ND1 HIS A 66 -20.133 12.853 -3.364 1.00 0.00 N ATOM 989 CD2 HIS A 66 -21.736 12.044 -4.605 1.00 0.00 C ATOM 990 CE1 HIS A 66 -19.788 13.050 -4.624 1.00 0.00 C ATOM 991 NE2 HIS A 66 -20.745 12.568 -5.397 1.00 0.00 N ATOM 0 H HIS A 66 -23.317 9.723 -2.904 1.00 0.00 H new ATOM 0 HA HIS A 66 -20.731 10.214 -1.561 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -23.109 12.021 -2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -21.686 12.509 -1.243 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -22.648 11.577 -4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -18.879 13.524 -4.964 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -20.747 12.583 -6.417 1.00 0.00 H new ATOM 999 N HIS A 67 -23.708 9.846 -0.218 1.00 0.00 N ATOM 1000 CA HIS A 67 -24.410 9.585 1.034 1.00 0.00 C ATOM 1001 C HIS A 67 -23.710 8.488 1.830 1.00 0.00 C ATOM 1002 O HIS A 67 -23.230 8.722 2.940 1.00 0.00 O ATOM 1003 CB HIS A 67 -25.859 9.185 0.756 1.00 0.00 C ATOM 1004 CG HIS A 67 -26.678 10.283 0.151 1.00 0.00 C ATOM 1005 ND1 HIS A 67 -27.583 11.033 0.873 1.00 0.00 N ATOM 1006 CD2 HIS A 67 -26.725 10.758 -1.116 1.00 0.00 C ATOM 1007 CE1 HIS A 67 -28.151 11.920 0.076 1.00 0.00 C ATOM 1008 NE2 HIS A 67 -27.648 11.774 -1.136 1.00 0.00 N ATOM 0 H HIS A 67 -24.292 9.775 -1.052 1.00 0.00 H new ATOM 0 HA HIS A 67 -24.401 10.500 1.626 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -25.868 8.325 0.086 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -26.325 8.867 1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -26.144 10.404 -1.955 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -28.900 12.642 0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -27.904 12.326 -1.954 1.00 0.00 H new ATOM 1016 N CYS A 68 -23.657 7.290 1.258 1.00 0.00 N ATOM 1017 CA CYS A 68 -23.018 6.156 1.914 1.00 0.00 C ATOM 1018 C CYS A 68 -21.611 5.933 1.367 1.00 0.00 C ATOM 1019 O CYS A 68 -20.659 5.754 2.126 1.00 0.00 O ATOM 1020 CB CYS A 68 -23.857 4.891 1.724 1.00 0.00 C ATOM 1021 SG CYS A 68 -24.054 4.383 -0.015 1.00 0.00 S ATOM 0 H CYS A 68 -24.049 7.079 0.340 1.00 0.00 H new ATOM 0 HA CYS A 68 -22.944 6.379 2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -23.395 4.075 2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -24.844 5.054 2.158 1.00 0.00 H new ATOM 0 HG CYS A 68 -24.164 5.439 -0.766 1.00 0.00 H new ATOM 1026 N GLY A 69 -21.488 5.946 0.043 1.00 0.00 N ATOM 1027 CA GLY A 69 -20.194 5.744 -0.584 1.00 0.00 C ATOM 1028 C GLY A 69 -20.074 4.383 -1.240 1.00 0.00 C ATOM 1029 O GLY A 69 -19.010 3.764 -1.212 1.00 0.00 O ATOM 0 H GLY A 69 -22.261 6.093 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -20.031 6.520 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -19.410 5.853 0.165 1.00 0.00 H new ATOM 1033 N LYS A 70 -21.167 3.914 -1.832 1.00 0.00 N ATOM 1034 CA LYS A 70 -21.181 2.617 -2.498 1.00 0.00 C ATOM 1035 C LYS A 70 -20.526 2.705 -3.873 1.00 0.00 C ATOM 1036 O LYS A 70 -20.538 3.758 -4.509 1.00 0.00 O ATOM 1037 CB LYS A 70 -22.617 2.108 -2.637 1.00 0.00 C ATOM 1038 CG LYS A 70 -22.727 0.593 -2.645 1.00 0.00 C ATOM 1039 CD LYS A 70 -24.086 0.135 -3.146 1.00 0.00 C ATOM 1040 CE LYS A 70 -24.254 -1.370 -3.005 1.00 0.00 C ATOM 1041 NZ LYS A 70 -24.418 -1.779 -1.582 1.00 0.00 N ATOM 0 H LYS A 70 -22.056 4.413 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 70 -20.611 1.916 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -23.215 2.503 -1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.045 2.500 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -21.945 0.174 -3.278 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.562 0.210 -1.638 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -24.871 0.644 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.204 0.419 -4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -25.123 -1.694 -3.578 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -23.386 -1.874 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -24.714 -2.775 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -23.514 -1.664 -1.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -25.141 -1.183 -1.131 1.00 0.00 H new ATOM 1055 N GLN A 71 -19.957 1.592 -4.324 1.00 0.00 N ATOM 1056 CA GLN A 71 -19.298 1.544 -5.624 1.00 0.00 C ATOM 1057 C GLN A 71 -19.855 0.407 -6.475 1.00 0.00 C ATOM 1058 O GLN A 71 -19.521 -0.760 -6.265 1.00 0.00 O ATOM 1059 CB GLN A 71 -17.788 1.374 -5.448 1.00 0.00 C ATOM 1060 CG GLN A 71 -17.069 2.663 -5.085 1.00 0.00 C ATOM 1061 CD GLN A 71 -15.583 2.605 -5.379 1.00 0.00 C ATOM 1062 OE1 GLN A 71 -14.812 2.010 -4.625 1.00 0.00 O ATOM 1063 NE2 GLN A 71 -15.173 3.223 -6.480 1.00 0.00 N ATOM 0 H GLN A 71 -19.939 0.712 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.493 2.486 -6.137 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.602 0.633 -4.671 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -17.365 0.980 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -17.513 3.490 -5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.218 2.872 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.847 3.704 -7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.184 3.217 -6.730 1.00 0.00 H new ATOM 1072 N LEU A 72 -20.704 0.755 -7.436 1.00 0.00 N ATOM 1073 CA LEU A 72 -21.307 -0.237 -8.319 1.00 0.00 C ATOM 1074 C LEU A 72 -20.885 -0.006 -9.766 1.00 0.00 C ATOM 1075 O LEU A 72 -20.661 1.130 -10.184 1.00 0.00 O ATOM 1076 CB LEU A 72 -22.832 -0.189 -8.207 1.00 0.00 C ATOM 1077 CG LEU A 72 -23.430 -0.781 -6.930 1.00 0.00 C ATOM 1078 CD1 LEU A 72 -24.866 -0.313 -6.746 1.00 0.00 C ATOM 1079 CD2 LEU A 72 -23.363 -2.301 -6.965 1.00 0.00 C ATOM 0 H LEU A 72 -20.990 1.716 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 72 -20.957 -1.222 -8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -23.150 0.851 -8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -23.256 -0.717 -9.061 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.844 -0.431 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -25.275 -0.744 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -24.888 0.774 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -25.465 -0.633 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.793 -2.705 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -23.925 -2.670 -7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -22.323 -2.618 -7.049 1.00 0.00 H new ATOM 1091 N ARG A 73 -20.780 -1.091 -10.527 1.00 0.00 N ATOM 1092 CA ARG A 73 -20.386 -1.006 -11.928 1.00 0.00 C ATOM 1093 C ARG A 73 -21.457 -0.298 -12.753 1.00 0.00 C ATOM 1094 O ARG A 73 -21.180 0.691 -13.430 1.00 0.00 O ATOM 1095 CB ARG A 73 -20.133 -2.405 -12.494 1.00 0.00 C ATOM 1096 CG ARG A 73 -18.883 -3.069 -11.940 1.00 0.00 C ATOM 1097 CD ARG A 73 -17.625 -2.528 -12.603 1.00 0.00 C ATOM 1098 NE ARG A 73 -17.472 -3.020 -13.970 1.00 0.00 N ATOM 1099 CZ ARG A 73 -17.007 -4.228 -14.268 1.00 0.00 C ATOM 1100 NH1 ARG A 73 -16.651 -5.063 -13.302 1.00 0.00 N ATOM 1101 NH2 ARG A 73 -16.897 -4.603 -15.536 1.00 0.00 N ATOM 0 H ARG A 73 -20.962 -2.039 -10.197 1.00 0.00 H new ATOM 0 HA ARG A 73 -19.465 -0.425 -11.986 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -20.995 -3.036 -12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -20.049 -2.339 -13.579 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -18.828 -2.904 -10.864 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.943 -4.146 -12.095 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.660 -1.439 -12.612 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.753 -2.815 -12.015 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.737 -2.402 -14.737 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.734 -4.779 -12.326 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.294 -5.990 -13.535 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.170 -3.964 -16.282 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -16.540 -5.531 -15.764 1.00 0.00 H new ATOM 1115 N SER A 74 -22.681 -0.813 -12.690 1.00 0.00 N ATOM 1116 CA SER A 74 -23.793 -0.233 -13.434 1.00 0.00 C ATOM 1117 C SER A 74 -24.368 0.974 -12.699 1.00 0.00 C ATOM 1118 O SER A 74 -24.171 1.134 -11.494 1.00 0.00 O ATOM 1119 CB SER A 74 -24.888 -1.279 -13.653 1.00 0.00 C ATOM 1120 OG SER A 74 -24.656 -2.020 -14.839 1.00 0.00 O ATOM 0 H SER A 74 -22.928 -1.630 -12.132 1.00 0.00 H new ATOM 0 HA SER A 74 -23.417 0.098 -14.402 1.00 0.00 H new ATOM 0 HB2 SER A 74 -24.925 -1.956 -12.799 1.00 0.00 H new ATOM 0 HB3 SER A 74 -25.859 -0.787 -13.712 1.00 0.00 H new ATOM 0 HG SER A 74 -25.368 -2.683 -14.955 1.00 0.00 H new ATOM 1126 N LEU A 75 -25.079 1.822 -13.433 1.00 0.00 N ATOM 1127 CA LEU A 75 -25.684 3.016 -12.853 1.00 0.00 C ATOM 1128 C LEU A 75 -27.073 2.711 -12.303 1.00 0.00 C ATOM 1129 O LEU A 75 -27.371 3.002 -11.145 1.00 0.00 O ATOM 1130 CB LEU A 75 -25.770 4.128 -13.900 1.00 0.00 C ATOM 1131 CG LEU A 75 -25.989 5.542 -13.361 1.00 0.00 C ATOM 1132 CD1 LEU A 75 -24.695 6.101 -12.789 1.00 0.00 C ATOM 1133 CD2 LEU A 75 -26.527 6.453 -14.455 1.00 0.00 C ATOM 0 H LEU A 75 -25.251 1.705 -14.432 1.00 0.00 H new ATOM 0 HA LEU A 75 -25.053 3.349 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -24.850 4.122 -14.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -26.584 3.892 -14.586 1.00 0.00 H new ATOM 0 HG LEU A 75 -26.727 5.494 -12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -24.870 7.108 -12.410 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -24.351 5.462 -11.976 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -23.936 6.134 -13.571 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -26.677 7.455 -14.053 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -25.813 6.495 -15.277 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -27.477 6.062 -14.819 1.00 0.00 H new ATOM 1145 N ALA A 76 -27.919 2.120 -13.141 1.00 0.00 N ATOM 1146 CA ALA A 76 -29.275 1.772 -12.737 1.00 0.00 C ATOM 1147 C ALA A 76 -29.292 1.155 -11.342 1.00 0.00 C ATOM 1148 O ALA A 76 -29.953 1.662 -10.437 1.00 0.00 O ATOM 1149 CB ALA A 76 -29.897 0.817 -13.745 1.00 0.00 C ATOM 0 H ALA A 76 -27.689 1.873 -14.103 1.00 0.00 H new ATOM 0 HA ALA A 76 -29.865 2.688 -12.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -30.910 0.565 -13.431 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -29.929 1.293 -14.725 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -29.298 -0.092 -13.802 1.00 0.00 H new ATOM 1155 N GLY A 77 -28.559 0.058 -11.176 1.00 0.00 N ATOM 1156 CA GLY A 77 -28.504 -0.609 -9.889 1.00 0.00 C ATOM 1157 C GLY A 77 -28.162 0.340 -8.757 1.00 0.00 C ATOM 1158 O GLY A 77 -28.782 0.299 -7.695 1.00 0.00 O ATOM 0 H GLY A 77 -28.003 -0.380 -11.910 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -29.466 -1.080 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -27.761 -1.406 -9.928 1.00 0.00 H new ATOM 1162 N MET A 78 -27.171 1.196 -8.985 1.00 0.00 N ATOM 1163 CA MET A 78 -26.747 2.160 -7.975 1.00 0.00 C ATOM 1164 C MET A 78 -27.832 3.205 -7.732 1.00 0.00 C ATOM 1165 O MET A 78 -28.401 3.282 -6.643 1.00 0.00 O ATOM 1166 CB MET A 78 -25.450 2.845 -8.407 1.00 0.00 C ATOM 1167 CG MET A 78 -25.247 4.214 -7.778 1.00 0.00 C ATOM 1168 SD MET A 78 -23.849 5.104 -8.487 1.00 0.00 S ATOM 1169 CE MET A 78 -22.478 4.278 -7.682 1.00 0.00 C ATOM 0 H MET A 78 -26.647 1.242 -9.859 1.00 0.00 H new ATOM 0 HA MET A 78 -26.572 1.621 -7.044 1.00 0.00 H new ATOM 0 HB2 MET A 78 -24.607 2.206 -8.146 1.00 0.00 H new ATOM 0 HB3 MET A 78 -25.447 2.949 -9.492 1.00 0.00 H new ATOM 0 HG2 MET A 78 -26.153 4.806 -7.907 1.00 0.00 H new ATOM 0 HG3 MET A 78 -25.092 4.097 -6.705 1.00 0.00 H new ATOM 0 HE1 MET A 78 -21.917 4.999 -7.088 1.00 0.00 H new ATOM 0 HE2 MET A 78 -22.859 3.491 -7.032 1.00 0.00 H new ATOM 0 HE3 MET A 78 -21.823 3.841 -8.436 1.00 0.00 H new ATOM 1179 N LYS A 79 -28.112 4.008 -8.753 1.00 0.00 N ATOM 1180 CA LYS A 79 -29.129 5.049 -8.651 1.00 0.00 C ATOM 1181 C LYS A 79 -30.319 4.568 -7.827 1.00 0.00 C ATOM 1182 O LYS A 79 -31.019 5.367 -7.205 1.00 0.00 O ATOM 1183 CB LYS A 79 -29.597 5.470 -10.046 1.00 0.00 C ATOM 1184 CG LYS A 79 -28.798 6.620 -10.634 1.00 0.00 C ATOM 1185 CD LYS A 79 -29.616 7.411 -11.640 1.00 0.00 C ATOM 1186 CE LYS A 79 -29.077 8.823 -11.811 1.00 0.00 C ATOM 1187 NZ LYS A 79 -29.640 9.490 -13.018 1.00 0.00 N ATOM 0 H LYS A 79 -27.649 3.958 -9.661 1.00 0.00 H new ATOM 0 HA LYS A 79 -28.686 5.908 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -29.531 4.613 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -30.648 5.756 -9.997 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -28.467 7.281 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -27.902 6.232 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -29.606 6.898 -12.602 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -30.655 7.454 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -29.316 9.412 -10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -27.990 8.790 -11.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -29.248 10.450 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -29.391 8.942 -13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -30.675 9.545 -12.933 1.00 0.00 H new ATOM 1201 N TYR A 80 -30.541 3.258 -7.826 1.00 0.00 N ATOM 1202 CA TYR A 80 -31.648 2.672 -7.079 1.00 0.00 C ATOM 1203 C TYR A 80 -31.285 2.510 -5.606 1.00 0.00 C ATOM 1204 O TYR A 80 -32.085 2.813 -4.720 1.00 0.00 O ATOM 1205 CB TYR A 80 -32.029 1.315 -7.673 1.00 0.00 C ATOM 1206 CG TYR A 80 -33.506 1.007 -7.580 1.00 0.00 C ATOM 1207 CD1 TYR A 80 -34.199 1.185 -6.389 1.00 0.00 C ATOM 1208 CD2 TYR A 80 -34.210 0.538 -8.683 1.00 0.00 C ATOM 1209 CE1 TYR A 80 -35.549 0.904 -6.298 1.00 0.00 C ATOM 1210 CE2 TYR A 80 -35.559 0.255 -8.602 1.00 0.00 C ATOM 1211 CZ TYR A 80 -36.224 0.440 -7.408 1.00 0.00 C ATOM 1212 OH TYR A 80 -37.569 0.160 -7.322 1.00 0.00 O ATOM 0 H TYR A 80 -29.970 2.582 -8.334 1.00 0.00 H new ATOM 0 HA TYR A 80 -32.501 3.347 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -31.726 1.288 -8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -31.470 0.533 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -33.673 1.549 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.693 0.392 -9.620 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -36.072 1.047 -5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -36.090 -0.109 -9.469 1.00 0.00 H new ATOM 0 HH TYR A 80 -37.894 -0.156 -8.191 1.00 0.00 H new ATOM 1222 N HIS A 81 -30.072 2.030 -5.351 1.00 0.00 N ATOM 1223 CA HIS A 81 -29.601 1.829 -3.985 1.00 0.00 C ATOM 1224 C HIS A 81 -29.857 3.069 -3.134 1.00 0.00 C ATOM 1225 O HIS A 81 -29.982 2.981 -1.912 1.00 0.00 O ATOM 1226 CB HIS A 81 -28.109 1.493 -3.982 1.00 0.00 C ATOM 1227 CG HIS A 81 -27.225 2.694 -3.839 1.00 0.00 C ATOM 1228 ND1 HIS A 81 -26.193 2.977 -4.709 1.00 0.00 N ATOM 1229 CD2 HIS A 81 -27.225 3.689 -2.921 1.00 0.00 C ATOM 1230 CE1 HIS A 81 -25.595 4.092 -4.331 1.00 0.00 C ATOM 1231 NE2 HIS A 81 -26.203 4.545 -3.249 1.00 0.00 N ATOM 0 H HIS A 81 -29.398 1.773 -6.072 1.00 0.00 H new ATOM 0 HA HIS A 81 -30.155 0.994 -3.555 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -27.902 0.801 -3.166 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -27.859 0.977 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -27.903 3.790 -2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -24.752 4.555 -4.823 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -25.954 5.393 -2.740 1.00 0.00 H new ATOM 1239 N VAL A 82 -29.934 4.224 -3.787 1.00 0.00 N ATOM 1240 CA VAL A 82 -30.176 5.482 -3.090 1.00 0.00 C ATOM 1241 C VAL A 82 -31.636 5.606 -2.672 1.00 0.00 C ATOM 1242 O VAL A 82 -31.939 6.038 -1.560 1.00 0.00 O ATOM 1243 CB VAL A 82 -29.800 6.691 -3.967 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -30.240 7.988 -3.306 1.00 0.00 C ATOM 1245 CG2 VAL A 82 -28.304 6.704 -4.243 1.00 0.00 C ATOM 0 H VAL A 82 -29.832 4.315 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 82 -29.546 5.478 -2.201 1.00 0.00 H new ATOM 0 HB VAL A 82 -30.321 6.602 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -29.966 8.831 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -31.321 7.976 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -29.749 8.088 -2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -28.056 7.565 -4.864 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -27.761 6.768 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -28.022 5.788 -4.763 1.00 0.00 H new ATOM 1255 N MET A 83 -32.538 5.224 -3.570 1.00 0.00 N ATOM 1256 CA MET A 83 -33.968 5.291 -3.292 1.00 0.00 C ATOM 1257 C MET A 83 -34.418 4.094 -2.460 1.00 0.00 C ATOM 1258 O MET A 83 -35.612 3.824 -2.339 1.00 0.00 O ATOM 1259 CB MET A 83 -34.761 5.344 -4.600 1.00 0.00 C ATOM 1260 CG MET A 83 -34.515 6.608 -5.409 1.00 0.00 C ATOM 1261 SD MET A 83 -35.396 6.608 -6.982 1.00 0.00 S ATOM 1262 CE MET A 83 -34.249 5.698 -8.013 1.00 0.00 C ATOM 0 H MET A 83 -32.304 4.865 -4.496 1.00 0.00 H new ATOM 0 HA MET A 83 -34.159 6.200 -2.721 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.502 4.477 -5.208 1.00 0.00 H new ATOM 0 HB3 MET A 83 -35.825 5.268 -4.374 1.00 0.00 H new ATOM 0 HG2 MET A 83 -34.823 7.475 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 83 -33.446 6.713 -5.596 1.00 0.00 H new ATOM 0 HE1 MET A 83 -34.564 5.765 -9.054 1.00 0.00 H new ATOM 0 HE2 MET A 83 -33.250 6.122 -7.908 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.234 4.652 -7.705 1.00 0.00 H new ATOM 1272 N ALA A 84 -33.453 3.380 -1.889 1.00 0.00 N ATOM 1273 CA ALA A 84 -33.750 2.214 -1.068 1.00 0.00 C ATOM 1274 C ALA A 84 -33.284 2.421 0.369 1.00 0.00 C ATOM 1275 O ALA A 84 -34.068 2.302 1.309 1.00 0.00 O ATOM 1276 CB ALA A 84 -33.102 0.972 -1.661 1.00 0.00 C ATOM 0 H ALA A 84 -32.459 3.589 -1.980 1.00 0.00 H new ATOM 0 HA ALA A 84 -34.831 2.076 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -33.332 0.108 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -33.487 0.806 -2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -32.022 1.111 -1.704 1.00 0.00 H new ATOM 1282 N ASN A 85 -32.002 2.732 0.532 1.00 0.00 N ATOM 1283 CA ASN A 85 -31.431 2.954 1.855 1.00 0.00 C ATOM 1284 C ASN A 85 -31.652 4.394 2.307 1.00 0.00 C ATOM 1285 O ASN A 85 -31.985 4.649 3.465 1.00 0.00 O ATOM 1286 CB ASN A 85 -29.935 2.634 1.848 1.00 0.00 C ATOM 1287 CG ASN A 85 -29.626 1.326 1.145 1.00 0.00 C ATOM 1288 OD1 ASN A 85 -30.170 0.278 1.493 1.00 0.00 O ATOM 1289 ND2 ASN A 85 -28.750 1.383 0.149 1.00 0.00 N ATOM 0 H ASN A 85 -31.339 2.836 -0.236 1.00 0.00 H new ATOM 0 HA ASN A 85 -31.934 2.289 2.557 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -29.396 3.444 1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -29.572 2.586 2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -28.503 0.536 -0.362 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -28.324 2.274 -0.105 1.00 0.00 H new ATOM 1296 N HIS A 86 -31.464 5.334 1.386 1.00 0.00 N ATOM 1297 CA HIS A 86 -31.645 6.749 1.689 1.00 0.00 C ATOM 1298 C HIS A 86 -33.105 7.159 1.525 1.00 0.00 C ATOM 1299 O HIS A 86 -33.678 7.814 2.394 1.00 0.00 O ATOM 1300 CB HIS A 86 -30.758 7.604 0.783 1.00 0.00 C ATOM 1301 CG HIS A 86 -29.348 7.108 0.684 1.00 0.00 C ATOM 1302 ND1 HIS A 86 -28.617 6.695 1.777 1.00 0.00 N ATOM 1303 CD2 HIS A 86 -28.536 6.958 -0.389 1.00 0.00 C ATOM 1304 CE1 HIS A 86 -27.415 6.314 1.382 1.00 0.00 C ATOM 1305 NE2 HIS A 86 -27.341 6.464 0.072 1.00 0.00 N ATOM 0 H HIS A 86 -31.186 5.141 0.424 1.00 0.00 H new ATOM 0 HA HIS A 86 -31.356 6.912 2.727 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -31.195 7.634 -0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -30.749 8.627 1.158 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -28.782 7.185 -1.416 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -26.627 5.943 2.021 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -26.528 6.248 -0.504 1.00 0.00 H new