USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 Single : A 23 SER OG : rot 154:sc= 0.886 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 32 THR OG1 : rot 74:sc= 1.12 USER MOD Single : A 36 ASN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 39 SER OG : rot 75:sc= 1 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -1.81 K(o=-1.8,f=-2.9!) USER MOD Single : A 50 HIS : no HD1:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 51 SER OG : rot -62:sc= 1.27 USER MOD Single : A 52 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -104:sc= -0.228 (180deg=-3.26!) USER MOD Single : A 61 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.26) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -14.020 14.522 -0.697 1.00 1.00 N ATOM 216 CA GLU A 13 -15.159 14.068 -1.503 1.00 1.00 C ATOM 217 C GLU A 13 -15.856 12.953 -0.736 1.00 1.00 C ATOM 218 O GLU A 13 -17.057 12.981 -0.485 1.00 1.00 O ATOM 219 CB GLU A 13 -14.649 13.528 -2.848 1.00 1.00 C ATOM 220 CG GLU A 13 -15.633 13.581 -4.021 1.00 1.00 C ATOM 221 CD GLU A 13 -16.855 12.681 -3.874 1.00 1.00 C ATOM 222 OE1 GLU A 13 -17.878 13.150 -3.336 1.00 1.00 O ATOM 223 OE2 GLU A 13 -16.798 11.514 -4.332 1.00 1.00 O ATOM 0 HA GLU A 13 -15.849 14.890 -1.692 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -13.757 14.089 -3.125 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.342 12.492 -2.706 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -15.970 14.610 -4.147 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -15.104 13.305 -4.933 1.00 1.00 H new ATOM 230 N PHE A 14 -15.055 11.991 -0.320 1.00 1.00 N ATOM 231 CA PHE A 14 -15.559 10.851 0.423 1.00 1.00 C ATOM 232 C PHE A 14 -15.673 11.161 1.923 1.00 1.00 C ATOM 233 O PHE A 14 -16.769 11.298 2.470 1.00 1.00 O ATOM 234 CB PHE A 14 -14.623 9.664 0.230 1.00 1.00 C ATOM 235 CG PHE A 14 -14.577 9.103 -1.161 1.00 1.00 C ATOM 236 CD1 PHE A 14 -15.460 8.110 -1.546 1.00 1.00 C ATOM 237 CD2 PHE A 14 -13.630 9.545 -2.071 1.00 1.00 C ATOM 238 CE1 PHE A 14 -15.403 7.568 -2.814 1.00 1.00 C ATOM 239 CE2 PHE A 14 -13.570 9.010 -3.343 1.00 1.00 C ATOM 240 CZ PHE A 14 -14.456 8.018 -3.714 1.00 1.00 C ATOM 0 H PHE A 14 -14.048 11.976 -0.485 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.554 10.617 0.044 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.616 9.967 0.515 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.923 8.871 0.914 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -16.202 7.755 -0.846 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.931 10.316 -1.782 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -16.098 6.793 -3.102 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -12.832 9.367 -4.046 1.00 1.00 H new ATOM 0 HZ PHE A 14 -14.409 7.594 -4.706 1.00 1.00 H new ATOM 358 N SER A 23 -16.724 5.437 6.059 1.00 1.00 N ATOM 359 CA SER A 23 -16.847 4.061 5.603 1.00 1.00 C ATOM 360 C SER A 23 -15.537 3.436 5.114 1.00 1.00 C ATOM 361 O SER A 23 -14.470 4.054 5.093 1.00 1.00 O ATOM 362 CB SER A 23 -17.879 3.984 4.470 1.00 1.00 C ATOM 363 OG SER A 23 -17.476 4.746 3.337 1.00 1.00 O ATOM 0 HA SER A 23 -17.161 3.489 6.476 1.00 1.00 H new ATOM 0 HB2 SER A 23 -18.021 2.944 4.177 1.00 1.00 H new ATOM 0 HB3 SER A 23 -18.842 4.348 4.829 1.00 1.00 H new ATOM 0 HG SER A 23 -17.893 4.378 2.530 1.00 1.00 H new ATOM 369 N THR A 24 -15.672 2.181 4.710 1.00 1.00 N ATOM 370 CA THR A 24 -14.574 1.355 4.201 1.00 1.00 C ATOM 371 C THR A 24 -14.053 1.848 2.843 1.00 1.00 C ATOM 372 O THR A 24 -12.845 1.980 2.645 1.00 1.00 O ATOM 373 CB THR A 24 -15.065 -0.100 4.033 1.00 1.00 C ATOM 374 OG1 THR A 24 -15.804 -0.508 5.196 1.00 1.00 O ATOM 375 CG2 THR A 24 -13.914 -1.063 3.799 1.00 1.00 C ATOM 0 H THR A 24 -16.567 1.692 4.725 1.00 1.00 H new ATOM 0 HA THR A 24 -13.760 1.419 4.923 1.00 1.00 H new ATOM 0 HB THR A 24 -15.710 -0.128 3.155 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.113 -1.431 5.080 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.303 -2.075 3.686 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.379 -0.777 2.894 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.233 -1.029 4.649 1.00 1.00 H new ATOM 383 N GLU A 25 -14.987 2.129 1.928 1.00 1.00 N ATOM 384 CA GLU A 25 -14.674 2.591 0.553 1.00 1.00 C ATOM 385 C GLU A 25 -13.637 3.708 0.552 1.00 1.00 C ATOM 386 O GLU A 25 -12.625 3.654 -0.147 1.00 1.00 O ATOM 387 CB GLU A 25 -15.931 3.139 -0.150 1.00 1.00 C ATOM 388 CG GLU A 25 -17.138 2.213 -0.154 1.00 1.00 C ATOM 389 CD GLU A 25 -17.830 2.147 1.190 1.00 1.00 C ATOM 390 OE1 GLU A 25 -18.595 3.073 1.510 1.00 1.00 O ATOM 391 OE2 GLU A 25 -17.581 1.176 1.937 1.00 1.00 O ATOM 0 H GLU A 25 -15.987 2.045 2.111 1.00 1.00 H new ATOM 0 HA GLU A 25 -14.286 1.719 0.026 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.215 4.075 0.331 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.674 3.376 -1.182 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -17.849 2.553 -0.907 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.821 1.211 -0.444 1.00 1.00 H new ATOM 398 N VAL A 26 -13.924 4.715 1.349 1.00 1.00 N ATOM 399 CA VAL A 26 -13.078 5.884 1.492 1.00 1.00 C ATOM 400 C VAL A 26 -11.667 5.524 1.937 1.00 1.00 C ATOM 401 O VAL A 26 -10.684 6.115 1.493 1.00 1.00 O ATOM 402 CB VAL A 26 -13.667 6.806 2.556 1.00 1.00 C ATOM 403 CG1 VAL A 26 -12.935 8.136 2.576 1.00 1.00 C ATOM 404 CG2 VAL A 26 -15.167 6.973 2.354 1.00 1.00 C ATOM 0 H VAL A 26 -14.765 4.746 1.926 1.00 1.00 H new ATOM 0 HA VAL A 26 -13.031 6.365 0.515 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.527 6.348 3.535 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -13.370 8.779 3.341 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -11.881 7.968 2.799 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.028 8.617 1.602 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -15.566 7.634 3.123 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -15.356 7.404 1.371 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -15.654 6.000 2.423 1.00 1.00 H new ATOM 414 N GLN A 27 -11.575 4.537 2.807 1.00 1.00 N ATOM 415 CA GLN A 27 -10.287 4.128 3.336 1.00 1.00 C ATOM 416 C GLN A 27 -9.527 3.282 2.322 1.00 1.00 C ATOM 417 O GLN A 27 -8.305 3.205 2.359 1.00 1.00 O ATOM 418 CB GLN A 27 -10.454 3.413 4.665 1.00 1.00 C ATOM 419 CG GLN A 27 -11.101 4.299 5.720 1.00 1.00 C ATOM 420 CD GLN A 27 -11.328 3.591 7.040 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.532 2.289 6.997 1.00 1.00 O flip ATOM 422 NE2 GLN A 27 -11.323 4.207 8.094 1.00 1.00 N flip ATOM 0 H GLN A 27 -12.371 4.006 3.161 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.689 5.020 3.521 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.062 2.520 4.521 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -9.479 3.080 5.021 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -10.470 5.172 5.888 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -12.056 4.664 5.342 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -11.162 5.214 8.095 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.479 3.714 8.973 1.00 1.00 H new ATOM 431 N VAL A 28 -10.260 2.636 1.424 1.00 1.00 N ATOM 432 CA VAL A 28 -9.636 1.883 0.348 1.00 1.00 C ATOM 433 C VAL A 28 -9.150 2.895 -0.688 1.00 1.00 C ATOM 434 O VAL A 28 -8.141 2.699 -1.368 1.00 1.00 O ATOM 435 CB VAL A 28 -10.611 0.876 -0.295 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.957 0.113 -1.441 1.00 1.00 C ATOM 437 CG2 VAL A 28 -11.141 -0.091 0.753 1.00 1.00 C ATOM 0 H VAL A 28 -11.280 2.619 1.420 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.808 1.295 0.744 1.00 1.00 H new ATOM 0 HB VAL A 28 -11.446 1.442 -0.709 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -10.675 -0.587 -1.869 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -9.634 0.816 -2.209 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -9.094 -0.437 -1.066 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.828 -0.795 0.284 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -10.309 -0.637 1.198 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.666 0.466 1.529 1.00 1.00 H new ATOM 447 N ALA A 29 -9.874 4.009 -0.772 1.00 1.00 N ATOM 448 CA ALA A 29 -9.500 5.095 -1.659 1.00 1.00 C ATOM 449 C ALA A 29 -8.183 5.689 -1.177 1.00 1.00 C ATOM 450 O ALA A 29 -7.265 5.925 -1.959 1.00 1.00 O ATOM 451 CB ALA A 29 -10.585 6.163 -1.708 1.00 1.00 C ATOM 0 H ALA A 29 -10.723 4.178 -0.233 1.00 1.00 H new ATOM 0 HA ALA A 29 -9.381 4.708 -2.671 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -10.277 6.964 -2.380 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -11.514 5.722 -2.070 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.742 6.569 -0.708 1.00 1.00 H new ATOM 457 N LEU A 30 -8.078 5.892 0.131 1.00 1.00 N ATOM 458 CA LEU A 30 -6.850 6.423 0.694 1.00 1.00 C ATOM 459 C LEU A 30 -5.764 5.335 0.735 1.00 1.00 C ATOM 460 O LEU A 30 -4.576 5.637 0.640 1.00 1.00 O ATOM 461 CB LEU A 30 -7.093 7.075 2.075 1.00 1.00 C ATOM 462 CG LEU A 30 -7.387 6.149 3.274 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.109 5.579 3.886 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.174 6.914 4.336 1.00 1.00 C ATOM 0 H LEU A 30 -8.816 5.700 0.809 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.487 7.219 0.044 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.214 7.671 2.322 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.930 7.767 1.975 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.977 5.310 2.906 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.364 4.933 4.726 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.572 5.001 3.134 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.477 6.396 4.235 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.379 6.256 5.181 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.590 7.769 4.676 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.115 7.263 3.911 1.00 1.00 H new ATOM 476 N LEU A 31 -6.169 4.066 0.827 1.00 1.00 N ATOM 477 CA LEU A 31 -5.203 2.974 0.844 1.00 1.00 C ATOM 478 C LEU A 31 -4.528 2.890 -0.535 1.00 1.00 C ATOM 479 O LEU A 31 -3.307 2.810 -0.639 1.00 1.00 O ATOM 480 CB LEU A 31 -5.872 1.653 1.329 1.00 1.00 C ATOM 481 CG LEU A 31 -6.428 0.632 0.293 1.00 1.00 C ATOM 482 CD1 LEU A 31 -5.338 -0.046 -0.525 1.00 1.00 C ATOM 483 CD2 LEU A 31 -7.237 -0.435 1.022 1.00 1.00 C ATOM 0 H LEU A 31 -7.145 3.776 0.890 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.411 3.160 1.569 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.141 1.126 1.942 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.697 1.930 1.985 1.00 1.00 H new ATOM 0 HG LEU A 31 -7.051 1.194 -0.403 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.792 -0.745 -1.228 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.774 0.707 -1.075 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.666 -0.587 0.142 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.628 -1.152 0.300 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.597 -0.952 1.736 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -8.066 0.035 1.552 1.00 1.00 H new ATOM 495 N THR A 32 -5.332 2.994 -1.587 1.00 1.00 N ATOM 496 CA THR A 32 -4.825 2.968 -2.961 1.00 1.00 C ATOM 497 C THR A 32 -3.930 4.192 -3.217 1.00 1.00 C ATOM 498 O THR A 32 -2.889 4.093 -3.870 1.00 1.00 O ATOM 499 CB THR A 32 -5.999 2.931 -3.962 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.851 1.814 -3.662 1.00 1.00 O ATOM 501 CG2 THR A 32 -5.515 2.817 -5.398 1.00 1.00 C ATOM 0 H THR A 32 -6.344 3.098 -1.517 1.00 1.00 H new ATOM 0 HA THR A 32 -4.227 2.068 -3.101 1.00 1.00 H new ATOM 0 HB THR A 32 -6.548 3.867 -3.863 1.00 1.00 H new ATOM 0 HG1 THR A 32 -7.370 2.006 -2.853 1.00 1.00 H new ATOM 0 HG21 THR A 32 -6.373 2.794 -6.070 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.887 3.675 -5.640 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.937 1.900 -5.516 1.00 1.00 H new ATOM 509 N LEU A 33 -4.337 5.342 -2.675 1.00 1.00 N ATOM 510 CA LEU A 33 -3.559 6.580 -2.789 1.00 1.00 C ATOM 511 C LEU A 33 -2.187 6.383 -2.136 1.00 1.00 C ATOM 512 O LEU A 33 -1.152 6.743 -2.701 1.00 1.00 O ATOM 513 CB LEU A 33 -4.318 7.728 -2.111 1.00 1.00 C ATOM 514 CG LEU A 33 -3.593 9.077 -2.037 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.309 9.622 -3.428 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.424 10.073 -1.241 1.00 1.00 C ATOM 0 H LEU A 33 -5.206 5.443 -2.150 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.415 6.829 -3.840 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.259 7.875 -2.641 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.569 7.419 -1.096 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.639 8.924 -1.533 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.794 10.579 -3.346 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.681 8.918 -3.973 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.248 9.760 -3.963 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.901 11.028 -1.194 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.390 10.212 -1.727 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.578 9.693 -0.231 1.00 1.00 H new ATOM 528 N ARG A 34 -2.186 5.794 -0.944 1.00 1.00 N ATOM 529 CA ARG A 34 -0.942 5.514 -0.242 1.00 1.00 C ATOM 530 C ARG A 34 -0.096 4.517 -1.051 1.00 1.00 C ATOM 531 O ARG A 34 1.086 4.751 -1.266 1.00 1.00 O ATOM 532 CB ARG A 34 -1.216 4.959 1.159 1.00 1.00 C ATOM 533 CG ARG A 34 0.049 4.657 1.966 1.00 1.00 C ATOM 534 CD ARG A 34 0.830 5.929 2.311 1.00 1.00 C ATOM 535 NE ARG A 34 2.149 5.653 2.919 1.00 1.00 N ATOM 536 CZ ARG A 34 2.550 6.103 4.090 1.00 1.00 C ATOM 537 NH1 ARG A 34 1.728 6.717 4.886 1.00 1.00 N ATOM 538 NH2 ARG A 34 3.779 5.902 4.471 1.00 1.00 N ATOM 0 H ARG A 34 -3.029 5.503 -0.448 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.390 6.448 -0.135 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.824 5.676 1.710 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.804 4.046 1.068 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.223 4.139 2.885 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.689 3.982 1.397 1.00 1.00 H new ATOM 0 HD2 ARG A 34 0.970 6.519 1.405 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.240 6.535 2.998 1.00 1.00 H new ATOM 0 HE ARG A 34 2.798 5.069 2.391 1.00 1.00 H new ATOM 0 HH11 ARG A 34 0.757 6.856 4.607 1.00 1.00 H new ATOM 0 HH12 ARG A 34 2.054 7.060 5.790 1.00 1.00 H new ATOM 0 HH21 ARG A 34 4.425 5.398 3.864 1.00 1.00 H new ATOM 0 HH22 ARG A 34 4.095 6.248 5.377 1.00 1.00 H new ATOM 552 N ILE A 35 -0.724 3.426 -1.522 1.00 1.00 N ATOM 553 CA ILE A 35 -0.025 2.396 -2.323 1.00 1.00 C ATOM 554 C ILE A 35 0.667 3.027 -3.544 1.00 1.00 C ATOM 555 O ILE A 35 1.818 2.719 -3.857 1.00 1.00 O ATOM 556 CB ILE A 35 -1.002 1.290 -2.830 1.00 1.00 C ATOM 557 CG1 ILE A 35 -1.699 0.555 -1.671 1.00 1.00 C ATOM 558 CG2 ILE A 35 -0.287 0.288 -3.733 1.00 1.00 C ATOM 559 CD1 ILE A 35 -0.769 -0.155 -0.707 1.00 1.00 C ATOM 0 H ILE A 35 -1.713 3.231 -1.364 1.00 1.00 H new ATOM 0 HA ILE A 35 0.715 1.943 -1.664 1.00 1.00 H new ATOM 0 HB ILE A 35 -1.770 1.799 -3.412 1.00 1.00 H new ATOM 0 HG12 ILE A 35 -2.296 1.275 -1.111 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -2.391 -0.176 -2.089 1.00 1.00 H new ATOM 0 HG21 ILE A 35 -0.996 -0.469 -4.069 1.00 1.00 H new ATOM 0 HG22 ILE A 35 0.126 0.808 -4.598 1.00 1.00 H new ATOM 0 HG23 ILE A 35 0.520 -0.191 -3.178 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.355 -0.642 0.072 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -0.189 -0.904 -1.246 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.093 0.570 -0.253 1.00 1.00 H new ATOM 571 N ASN A 36 -0.048 3.931 -4.202 1.00 1.00 N ATOM 572 CA ASN A 36 0.445 4.637 -5.389 1.00 1.00 C ATOM 573 C ASN A 36 1.681 5.483 -5.055 1.00 1.00 C ATOM 574 O ASN A 36 2.734 5.339 -5.675 1.00 1.00 O ATOM 575 CB ASN A 36 -0.695 5.526 -5.922 1.00 1.00 C ATOM 576 CG ASN A 36 -0.447 6.165 -7.280 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.664 6.522 -7.641 1.00 1.00 O ATOM 578 ND2 ASN A 36 -1.512 6.336 -8.042 1.00 1.00 N ATOM 0 H ASN A 36 -0.993 4.200 -3.929 1.00 1.00 H new ATOM 0 HA ASN A 36 0.747 3.916 -6.149 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.603 4.925 -5.983 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.885 6.317 -5.197 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -1.419 6.776 -8.958 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -2.428 6.028 -7.715 1.00 1.00 H new ATOM 585 N ARG A 37 1.569 6.299 -4.017 1.00 1.00 N ATOM 586 CA ARG A 37 2.662 7.191 -3.627 1.00 1.00 C ATOM 587 C ARG A 37 3.814 6.413 -2.986 1.00 1.00 C ATOM 588 O ARG A 37 4.976 6.803 -3.076 1.00 1.00 O ATOM 589 CB ARG A 37 2.135 8.261 -2.673 1.00 1.00 C ATOM 590 CG ARG A 37 3.166 9.309 -2.293 1.00 1.00 C ATOM 591 CD ARG A 37 2.533 10.417 -1.456 1.00 1.00 C ATOM 592 NE ARG A 37 3.490 11.472 -1.099 1.00 1.00 N ATOM 593 CZ ARG A 37 3.257 12.417 -0.223 1.00 1.00 C ATOM 594 NH1 ARG A 37 2.109 12.496 0.375 1.00 1.00 N ATOM 595 NH2 ARG A 37 4.177 13.295 0.036 1.00 1.00 N ATOM 0 H ARG A 37 0.738 6.365 -3.429 1.00 1.00 H new ATOM 0 HA ARG A 37 3.053 7.672 -4.523 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.281 8.757 -3.135 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.771 7.778 -1.766 1.00 1.00 H new ATOM 0 HG2 ARG A 37 3.976 8.842 -1.733 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.607 9.735 -3.194 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.703 10.856 -2.010 1.00 1.00 H new ATOM 0 HD3 ARG A 37 2.116 9.986 -0.546 1.00 1.00 H new ATOM 0 HE ARG A 37 4.397 11.468 -1.565 1.00 1.00 H new ATOM 0 HH11 ARG A 37 1.377 11.818 0.165 1.00 1.00 H new ATOM 0 HH12 ARG A 37 1.938 13.236 1.056 1.00 1.00 H new ATOM 0 HH21 ARG A 37 5.077 13.247 -0.442 1.00 1.00 H new ATOM 0 HH22 ARG A 37 4.000 14.033 0.718 1.00 1.00 H new ATOM 609 N LEU A 38 3.472 5.300 -2.356 1.00 1.00 N ATOM 610 CA LEU A 38 4.439 4.439 -1.701 1.00 1.00 C ATOM 611 C LEU A 38 5.355 3.808 -2.731 1.00 1.00 C ATOM 612 O LEU A 38 6.560 3.680 -2.529 1.00 1.00 O ATOM 613 CB LEU A 38 3.674 3.364 -0.940 1.00 1.00 C ATOM 614 CG LEU A 38 4.508 2.328 -0.195 1.00 1.00 C ATOM 615 CD1 LEU A 38 5.356 2.983 0.887 1.00 1.00 C ATOM 616 CD2 LEU A 38 3.586 1.281 0.408 1.00 1.00 C ATOM 0 H LEU A 38 2.510 4.969 -2.285 1.00 1.00 H new ATOM 0 HA LEU A 38 5.055 5.016 -1.012 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.021 3.857 -0.220 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.031 2.839 -1.647 1.00 1.00 H new ATOM 0 HG LEU A 38 5.188 1.849 -0.899 1.00 1.00 H new ATOM 0 HD11 LEU A 38 5.941 2.221 1.402 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.029 3.710 0.432 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.707 3.488 1.602 1.00 1.00 H new ATOM 0 HD21 LEU A 38 4.179 0.538 0.942 1.00 1.00 H new ATOM 0 HD22 LEU A 38 2.895 1.761 1.102 1.00 1.00 H new ATOM 0 HD23 LEU A 38 3.022 0.792 -0.386 1.00 1.00 H new ATOM 628 N SER A 39 4.772 3.437 -3.848 1.00 1.00 N ATOM 629 CA SER A 39 5.525 2.837 -4.922 1.00 1.00 C ATOM 630 C SER A 39 6.467 3.868 -5.564 1.00 1.00 C ATOM 631 O SER A 39 7.645 3.590 -5.756 1.00 1.00 O ATOM 632 CB SER A 39 4.565 2.233 -5.949 1.00 1.00 C ATOM 633 OG SER A 39 3.722 1.260 -5.343 1.00 1.00 O ATOM 0 H SER A 39 3.775 3.541 -4.035 1.00 1.00 H new ATOM 0 HA SER A 39 6.147 2.035 -4.523 1.00 1.00 H new ATOM 0 HB2 SER A 39 3.957 3.021 -6.393 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.133 1.775 -6.759 1.00 1.00 H new ATOM 0 HG SER A 39 3.036 1.710 -4.808 1.00 1.00 H new ATOM 639 N GLU A 40 5.981 5.085 -5.837 1.00 1.00 N ATOM 640 CA GLU A 40 6.847 6.113 -6.446 1.00 1.00 C ATOM 641 C GLU A 40 7.825 6.678 -5.421 1.00 1.00 C ATOM 642 O GLU A 40 8.766 7.395 -5.757 1.00 1.00 O ATOM 643 CB GLU A 40 6.038 7.226 -7.095 1.00 1.00 C ATOM 644 CG GLU A 40 5.040 7.896 -6.172 1.00 1.00 C ATOM 645 CD GLU A 40 4.275 9.011 -6.865 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.337 8.706 -7.631 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.610 10.192 -6.655 1.00 1.00 O ATOM 0 H GLU A 40 5.022 5.381 -5.654 1.00 1.00 H new ATOM 0 HA GLU A 40 7.420 5.627 -7.236 1.00 1.00 H new ATOM 0 HB2 GLU A 40 6.724 7.981 -7.478 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.504 6.817 -7.953 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.336 7.152 -5.800 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.564 8.301 -5.306 1.00 1.00 H new ATOM 654 N HIS A 41 7.575 6.352 -4.165 1.00 1.00 N ATOM 655 CA HIS A 41 8.454 6.724 -3.081 1.00 1.00 C ATOM 656 C HIS A 41 9.711 5.872 -3.222 1.00 1.00 C ATOM 657 O HIS A 41 10.829 6.370 -3.289 1.00 1.00 O ATOM 658 CB HIS A 41 7.743 6.432 -1.759 1.00 1.00 C ATOM 659 CG HIS A 41 8.479 6.849 -0.527 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.238 5.994 0.244 1.00 1.00 N ATOM 661 CD2 HIS A 41 8.514 8.048 0.101 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.691 6.686 1.297 1.00 1.00 C ATOM 663 NE2 HIS A 41 9.280 7.936 1.256 1.00 1.00 N ATOM 0 H HIS A 41 6.755 5.821 -3.872 1.00 1.00 H new ATOM 0 HA HIS A 41 8.716 7.782 -3.104 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.774 6.932 -1.769 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.548 5.361 -1.700 1.00 1.00 H new ATOM 0 HD2 HIS A 41 8.025 8.948 -0.241 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.312 6.273 2.078 1.00 1.00 H new ATOM 0 HE2 HIS A 41 9.482 8.672 1.933 1.00 1.00 H new ATOM 671 N LEU A 42 9.479 4.569 -3.346 1.00 1.00 N ATOM 672 CA LEU A 42 10.543 3.586 -3.514 1.00 1.00 C ATOM 673 C LEU A 42 11.304 3.791 -4.835 1.00 1.00 C ATOM 674 O LEU A 42 12.492 3.495 -4.930 1.00 1.00 O ATOM 675 CB LEU A 42 9.936 2.184 -3.516 1.00 1.00 C ATOM 676 CG LEU A 42 9.246 1.754 -2.222 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.430 0.495 -2.459 1.00 1.00 C ATOM 678 CD2 LEU A 42 10.270 1.514 -1.130 1.00 1.00 C ATOM 0 H LEU A 42 8.543 4.164 -3.333 1.00 1.00 H new ATOM 0 HA LEU A 42 11.244 3.708 -2.688 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.212 2.124 -4.329 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.726 1.467 -3.739 1.00 1.00 H new ATOM 0 HG LEU A 42 8.578 2.554 -1.902 1.00 1.00 H new ATOM 0 HD11 LEU A 42 7.943 0.197 -1.531 1.00 1.00 H new ATOM 0 HD12 LEU A 42 7.674 0.689 -3.220 1.00 1.00 H new ATOM 0 HD13 LEU A 42 9.087 -0.306 -2.797 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.762 1.209 -0.215 1.00 1.00 H new ATOM 0 HD22 LEU A 42 10.958 0.728 -1.443 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.828 2.432 -0.946 1.00 1.00 H new ATOM 690 N LYS A 43 10.605 4.320 -5.847 1.00 1.00 N ATOM 691 CA LYS A 43 11.197 4.555 -7.180 1.00 1.00 C ATOM 692 C LYS A 43 12.152 5.747 -7.177 1.00 1.00 C ATOM 693 O LYS A 43 12.713 6.127 -8.203 1.00 1.00 O ATOM 694 CB LYS A 43 10.092 4.758 -8.215 1.00 1.00 C ATOM 695 CG LYS A 43 9.203 3.534 -8.363 1.00 1.00 C ATOM 696 CD LYS A 43 7.999 3.788 -9.258 1.00 1.00 C ATOM 697 CE LYS A 43 8.407 4.112 -10.686 1.00 1.00 C ATOM 698 NZ LYS A 43 7.220 4.348 -11.555 1.00 1.00 N ATOM 0 H LYS A 43 9.626 4.596 -5.773 1.00 1.00 H new ATOM 0 HA LYS A 43 11.780 3.673 -7.445 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.482 5.614 -7.927 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.541 4.996 -9.179 1.00 1.00 H new ATOM 0 HG2 LYS A 43 9.789 2.712 -8.774 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.858 3.219 -7.378 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.354 2.909 -9.256 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.414 4.613 -8.852 1.00 1.00 H new ATOM 0 HE2 LYS A 43 9.044 4.996 -10.691 1.00 1.00 H new ATOM 0 HE3 LYS A 43 8.998 3.291 -11.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.535 4.566 -12.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 6.625 3.495 -11.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.670 5.148 -11.182 1.00 1.00 H new ATOM 712 N VAL A 44 12.319 6.319 -6.008 1.00 1.00 N ATOM 713 CA VAL A 44 13.212 7.439 -5.791 1.00 1.00 C ATOM 714 C VAL A 44 14.133 7.075 -4.629 1.00 1.00 C ATOM 715 O VAL A 44 15.354 7.229 -4.681 1.00 1.00 O ATOM 716 CB VAL A 44 12.428 8.726 -5.441 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.375 9.889 -5.194 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.433 9.073 -6.539 1.00 1.00 C ATOM 0 H VAL A 44 11.831 6.016 -5.165 1.00 1.00 H new ATOM 0 HA VAL A 44 13.778 7.634 -6.702 1.00 1.00 H new ATOM 0 HB VAL A 44 11.871 8.537 -4.523 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.799 10.782 -4.950 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.039 9.647 -4.364 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.967 10.073 -6.091 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.895 9.982 -6.269 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.966 9.232 -7.476 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.724 8.254 -6.660 1.00 1.00 H new ATOM 728 N HIS A 45 13.507 6.523 -3.600 1.00 1.00 N ATOM 729 CA HIS A 45 14.178 6.094 -2.385 1.00 1.00 C ATOM 730 C HIS A 45 14.908 4.750 -2.565 1.00 1.00 C ATOM 731 O HIS A 45 14.884 3.900 -1.678 1.00 1.00 O ATOM 732 CB HIS A 45 13.127 5.997 -1.274 1.00 1.00 C ATOM 733 CG HIS A 45 12.774 7.331 -0.690 1.00 1.00 C ATOM 734 ND1 HIS A 45 13.034 7.713 0.610 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.176 8.397 -1.277 1.00 1.00 C ATOM 736 CE1 HIS A 45 12.595 8.974 0.762 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.070 9.431 -0.354 1.00 1.00 N ATOM 0 H HIS A 45 12.500 6.358 -3.587 1.00 1.00 H new ATOM 0 HA HIS A 45 14.945 6.824 -2.125 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.226 5.530 -1.672 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.500 5.347 -0.483 1.00 1.00 H new ATOM 0 HD2 HIS A 45 11.835 8.437 -2.301 1.00 1.00 H new ATOM 0 HE1 HIS A 45 12.664 9.538 1.680 1.00 1.00 H new ATOM 0 HE2 HIS A 45 11.667 10.355 -0.510 1.00 1.00 H new ATOM 745 N LYS A 46 15.588 4.572 -3.701 1.00 1.00 N ATOM 746 CA LYS A 46 16.323 3.329 -3.945 1.00 1.00 C ATOM 747 C LYS A 46 17.618 3.303 -3.129 1.00 1.00 C ATOM 748 O LYS A 46 18.319 2.298 -3.080 1.00 1.00 O ATOM 749 CB LYS A 46 16.594 3.099 -5.435 1.00 1.00 C ATOM 750 CG LYS A 46 15.319 2.963 -6.263 1.00 1.00 C ATOM 751 CD LYS A 46 15.560 2.222 -7.576 1.00 1.00 C ATOM 752 CE LYS A 46 15.881 0.751 -7.332 1.00 1.00 C ATOM 753 NZ LYS A 46 16.014 -0.034 -8.596 1.00 1.00 N ATOM 0 H LYS A 46 15.645 5.259 -4.453 1.00 1.00 H new ATOM 0 HA LYS A 46 15.692 2.504 -3.614 1.00 1.00 H new ATOM 0 HB2 LYS A 46 17.185 3.929 -5.823 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.195 2.197 -5.554 1.00 1.00 H new ATOM 0 HG2 LYS A 46 14.565 2.432 -5.681 1.00 1.00 H new ATOM 0 HG3 LYS A 46 14.918 3.954 -6.475 1.00 1.00 H new ATOM 0 HD2 LYS A 46 14.677 2.303 -8.209 1.00 1.00 H new ATOM 0 HD3 LYS A 46 16.383 2.691 -8.115 1.00 1.00 H new ATOM 0 HE2 LYS A 46 16.809 0.676 -6.765 1.00 1.00 H new ATOM 0 HE3 LYS A 46 15.096 0.310 -6.718 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 16.232 -1.025 -8.368 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 15.121 0.011 -9.128 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 16.781 0.365 -9.173 1.00 1.00 H new ATOM 767 N LYS A 47 17.950 4.436 -2.517 1.00 1.00 N ATOM 768 CA LYS A 47 19.098 4.494 -1.621 1.00 1.00 C ATOM 769 C LYS A 47 18.651 4.054 -0.231 1.00 1.00 C ATOM 770 O LYS A 47 19.452 3.927 0.687 1.00 1.00 O ATOM 771 CB LYS A 47 19.696 5.903 -1.535 1.00 1.00 C ATOM 772 CG LYS A 47 18.747 6.971 -0.996 1.00 1.00 C ATOM 773 CD LYS A 47 19.517 8.222 -0.595 1.00 1.00 C ATOM 774 CE LYS A 47 18.611 9.322 -0.057 1.00 1.00 C ATOM 775 NZ LYS A 47 17.788 9.958 -1.127 1.00 1.00 N ATOM 0 H LYS A 47 17.446 5.317 -2.624 1.00 1.00 H new ATOM 0 HA LYS A 47 19.870 3.834 -2.015 1.00 1.00 H new ATOM 0 HB2 LYS A 47 20.580 5.869 -0.899 1.00 1.00 H new ATOM 0 HB3 LYS A 47 20.030 6.202 -2.529 1.00 1.00 H new ATOM 0 HG2 LYS A 47 18.005 7.222 -1.754 1.00 1.00 H new ATOM 0 HG3 LYS A 47 18.204 6.581 -0.135 1.00 1.00 H new ATOM 0 HD2 LYS A 47 20.256 7.962 0.163 1.00 1.00 H new ATOM 0 HD3 LYS A 47 20.066 8.598 -1.458 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.952 8.905 0.705 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.220 10.084 0.430 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 17.189 10.699 -0.710 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 18.414 10.380 -1.842 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 17.186 9.238 -1.576 1.00 1.00 H new ATOM 789 N ASP A 48 17.353 3.826 -0.097 1.00 1.00 N ATOM 790 CA ASP A 48 16.772 3.419 1.174 1.00 1.00 C ATOM 791 C ASP A 48 16.216 1.988 1.095 1.00 1.00 C ATOM 792 O ASP A 48 16.874 1.025 1.490 1.00 1.00 O ATOM 793 CB ASP A 48 15.658 4.412 1.566 1.00 1.00 C ATOM 794 CG ASP A 48 15.014 4.104 2.903 1.00 1.00 C ATOM 795 OD1 ASP A 48 15.700 4.227 3.936 1.00 1.00 O ATOM 796 OD2 ASP A 48 13.803 3.776 2.913 1.00 1.00 O ATOM 0 H ASP A 48 16.679 3.917 -0.857 1.00 1.00 H new ATOM 0 HA ASP A 48 17.551 3.428 1.937 1.00 1.00 H new ATOM 0 HB2 ASP A 48 16.074 5.419 1.596 1.00 1.00 H new ATOM 0 HB3 ASP A 48 14.890 4.408 0.793 1.00 1.00 H new ATOM 801 N HIS A 49 15.040 1.874 0.484 1.00 1.00 N ATOM 802 CA HIS A 49 14.290 0.617 0.374 1.00 1.00 C ATOM 803 C HIS A 49 13.835 0.117 1.746 1.00 1.00 C ATOM 804 O HIS A 49 14.311 0.554 2.788 1.00 1.00 O ATOM 805 CB HIS A 49 15.018 -0.500 -0.378 1.00 1.00 C ATOM 806 CG HIS A 49 15.044 -0.296 -1.857 1.00 1.00 C ATOM 807 ND1 HIS A 49 13.980 -0.564 -2.696 1.00 1.00 N ATOM 808 CD2 HIS A 49 16.035 0.166 -2.649 1.00 1.00 C ATOM 809 CE1 HIS A 49 14.356 -0.261 -3.942 1.00 1.00 C ATOM 810 NE2 HIS A 49 15.593 0.185 -3.969 1.00 1.00 N ATOM 0 H HIS A 49 14.570 2.664 0.042 1.00 1.00 H new ATOM 0 HA HIS A 49 13.420 0.870 -0.233 1.00 1.00 H new ATOM 0 HB2 HIS A 49 16.042 -0.569 -0.010 1.00 1.00 H new ATOM 0 HB3 HIS A 49 14.535 -1.452 -0.158 1.00 1.00 H new ATOM 0 HD1 HIS A 49 13.070 -0.928 -2.415 1.00 1.00 H new ATOM 0 HD2 HIS A 49 17.014 0.472 -2.312 1.00 1.00 H new ATOM 0 HE1 HIS A 49 13.726 -0.368 -4.813 1.00 1.00 H new ATOM 818 N HIS A 50 12.902 -0.823 1.714 1.00 1.00 N ATOM 819 CA HIS A 50 12.283 -1.377 2.922 1.00 1.00 C ATOM 820 C HIS A 50 11.406 -0.299 3.562 1.00 1.00 C ATOM 821 O HIS A 50 11.041 -0.359 4.735 1.00 1.00 O ATOM 822 CB HIS A 50 13.295 -1.932 3.937 1.00 1.00 C ATOM 823 CG HIS A 50 14.093 -3.106 3.445 1.00 1.00 C ATOM 824 ND1 HIS A 50 14.211 -4.297 4.131 1.00 1.00 N ATOM 825 CD2 HIS A 50 14.856 -3.244 2.331 1.00 1.00 C ATOM 826 CE1 HIS A 50 15.030 -5.096 3.433 1.00 1.00 C ATOM 827 NE2 HIS A 50 15.444 -4.504 2.332 1.00 1.00 N ATOM 0 H HIS A 50 12.547 -1.229 0.848 1.00 1.00 H new ATOM 0 HA HIS A 50 11.681 -2.234 2.620 1.00 1.00 H new ATOM 0 HB2 HIS A 50 13.982 -1.134 4.218 1.00 1.00 H new ATOM 0 HB3 HIS A 50 12.760 -2.226 4.840 1.00 1.00 H new ATOM 0 HD2 HIS A 50 14.986 -2.494 1.565 1.00 1.00 H new ATOM 0 HE1 HIS A 50 15.313 -6.094 3.734 1.00 1.00 H new ATOM 0 HE2 HIS A 50 16.069 -4.891 1.624 1.00 1.00 H new ATOM 835 N SER A 51 11.053 0.678 2.732 1.00 1.00 N ATOM 836 CA SER A 51 10.187 1.788 3.116 1.00 1.00 C ATOM 837 C SER A 51 8.741 1.295 3.135 1.00 1.00 C ATOM 838 O SER A 51 7.796 2.020 3.430 1.00 1.00 O ATOM 839 CB SER A 51 10.354 2.913 2.097 1.00 1.00 C ATOM 840 OG SER A 51 11.670 2.923 1.556 1.00 1.00 O ATOM 0 H SER A 51 11.364 0.722 1.762 1.00 1.00 H new ATOM 0 HA SER A 51 10.450 2.162 4.106 1.00 1.00 H new ATOM 0 HB2 SER A 51 9.628 2.791 1.293 1.00 1.00 H new ATOM 0 HB3 SER A 51 10.145 3.872 2.572 1.00 1.00 H new ATOM 0 HG SER A 51 12.317 3.090 2.273 1.00 1.00 H new ATOM 846 N HIS A 52 8.624 0.019 2.807 1.00 1.00 N ATOM 847 CA HIS A 52 7.372 -0.721 2.757 1.00 1.00 C ATOM 848 C HIS A 52 7.303 -1.622 4.010 1.00 1.00 C ATOM 849 O HIS A 52 6.474 -2.520 4.125 1.00 1.00 O ATOM 850 CB HIS A 52 7.402 -1.547 1.460 1.00 1.00 C ATOM 851 CG HIS A 52 6.107 -2.165 1.041 1.00 1.00 C ATOM 852 ND1 HIS A 52 5.652 -3.372 1.511 1.00 1.00 N ATOM 853 CD2 HIS A 52 5.188 -1.746 0.135 1.00 1.00 C ATOM 854 CE1 HIS A 52 4.504 -3.650 0.891 1.00 1.00 C ATOM 855 NE2 HIS A 52 4.175 -2.696 0.046 1.00 1.00 N ATOM 0 H HIS A 52 9.431 -0.554 2.558 1.00 1.00 H new ATOM 0 HA HIS A 52 6.493 -0.077 2.755 1.00 1.00 H new ATOM 0 HB2 HIS A 52 7.752 -0.904 0.652 1.00 1.00 H new ATOM 0 HB3 HIS A 52 8.139 -2.342 1.577 1.00 1.00 H new ATOM 0 HD2 HIS A 52 5.235 -0.824 -0.426 1.00 1.00 H new ATOM 0 HE1 HIS A 52 3.920 -4.543 1.061 1.00 1.00 H new ATOM 0 HE2 HIS A 52 3.348 -2.660 -0.551 1.00 1.00 H new ATOM 863 N ARG A 53 8.205 -1.314 4.952 1.00 1.00 N ATOM 864 CA ARG A 53 8.386 -2.034 6.229 1.00 1.00 C ATOM 865 C ARG A 53 7.071 -2.303 6.970 1.00 1.00 C ATOM 866 O ARG A 53 6.666 -3.449 7.139 1.00 1.00 O ATOM 867 CB ARG A 53 9.327 -1.188 7.092 1.00 1.00 C ATOM 868 CG ARG A 53 9.789 -1.803 8.404 1.00 1.00 C ATOM 869 CD ARG A 53 10.738 -0.829 9.103 1.00 1.00 C ATOM 870 NE ARG A 53 11.306 -1.347 10.351 1.00 1.00 N ATOM 871 CZ ARG A 53 11.959 -0.614 11.218 1.00 1.00 C ATOM 872 NH1 ARG A 53 12.134 0.658 11.012 1.00 1.00 N ATOM 873 NH2 ARG A 53 12.443 -1.163 12.290 1.00 1.00 N ATOM 0 H ARG A 53 8.852 -0.532 4.847 1.00 1.00 H new ATOM 0 HA ARG A 53 8.803 -3.019 6.021 1.00 1.00 H new ATOM 0 HB2 ARG A 53 10.210 -0.949 6.499 1.00 1.00 H new ATOM 0 HB3 ARG A 53 8.828 -0.245 7.315 1.00 1.00 H new ATOM 0 HG2 ARG A 53 8.932 -2.017 9.042 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.293 -2.752 8.218 1.00 1.00 H new ATOM 0 HD2 ARG A 53 11.551 -0.577 8.422 1.00 1.00 H new ATOM 0 HD3 ARG A 53 10.202 0.096 9.315 1.00 1.00 H new ATOM 0 HE ARG A 53 11.185 -2.339 10.557 1.00 1.00 H new ATOM 0 HH11 ARG A 53 11.761 1.094 10.169 1.00 1.00 H new ATOM 0 HH12 ARG A 53 12.644 1.220 11.694 1.00 1.00 H new ATOM 0 HH21 ARG A 53 12.314 -2.161 12.454 1.00 1.00 H new ATOM 0 HH22 ARG A 53 12.952 -0.596 12.968 1.00 1.00 H new ATOM 887 N GLY A 54 6.416 -1.246 7.418 1.00 1.00 N ATOM 888 CA GLY A 54 5.154 -1.411 8.118 1.00 1.00 C ATOM 889 C GLY A 54 4.000 -1.532 7.146 1.00 1.00 C ATOM 890 O GLY A 54 2.859 -1.755 7.534 1.00 1.00 O ATOM 0 H GLY A 54 6.729 -0.281 7.313 1.00 1.00 H new ATOM 0 HA2 GLY A 54 5.198 -2.300 8.747 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.988 -0.561 8.779 1.00 1.00 H new ATOM 894 N LEU A 55 4.308 -1.439 5.863 1.00 1.00 N ATOM 895 CA LEU A 55 3.277 -1.507 4.845 1.00 1.00 C ATOM 896 C LEU A 55 3.109 -2.943 4.340 1.00 1.00 C ATOM 897 O LEU A 55 2.336 -3.208 3.422 1.00 1.00 O ATOM 898 CB LEU A 55 3.567 -0.538 3.687 1.00 1.00 C ATOM 899 CG LEU A 55 3.548 0.974 4.028 1.00 1.00 C ATOM 900 CD1 LEU A 55 2.279 1.364 4.775 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.782 1.401 4.821 1.00 1.00 C ATOM 0 H LEU A 55 5.255 -1.317 5.505 1.00 1.00 H new ATOM 0 HA LEU A 55 2.336 -1.197 5.299 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.546 -0.782 3.275 1.00 1.00 H new ATOM 0 HB3 LEU A 55 2.836 -0.719 2.899 1.00 1.00 H new ATOM 0 HG LEU A 55 3.564 1.505 3.076 1.00 1.00 H new ATOM 0 HD11 LEU A 55 2.301 2.431 4.997 1.00 1.00 H new ATOM 0 HD12 LEU A 55 1.410 1.140 4.157 1.00 1.00 H new ATOM 0 HD13 LEU A 55 2.217 0.801 5.706 1.00 1.00 H new ATOM 0 HD21 LEU A 55 4.725 2.468 5.037 1.00 1.00 H new ATOM 0 HD22 LEU A 55 4.824 0.843 5.757 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.679 1.197 4.236 1.00 1.00 H new ATOM 913 N LEU A 56 3.817 -3.880 4.972 1.00 1.00 N ATOM 914 CA LEU A 56 3.701 -5.287 4.608 1.00 1.00 C ATOM 915 C LEU A 56 2.342 -5.784 5.080 1.00 1.00 C ATOM 916 O LEU A 56 1.667 -6.563 4.409 1.00 1.00 O ATOM 917 CB LEU A 56 4.820 -6.110 5.243 1.00 1.00 C ATOM 918 CG LEU A 56 6.227 -5.834 4.708 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.251 -6.613 5.513 1.00 1.00 C ATOM 920 CD2 LEU A 56 6.325 -6.208 3.237 1.00 1.00 C ATOM 0 H LEU A 56 4.471 -3.690 5.732 1.00 1.00 H new ATOM 0 HA LEU A 56 3.790 -5.397 3.527 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.817 -5.927 6.318 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.596 -7.167 5.099 1.00 1.00 H new ATOM 0 HG LEU A 56 6.432 -4.768 4.807 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.249 -6.410 5.125 1.00 1.00 H new ATOM 0 HD12 LEU A 56 7.199 -6.309 6.559 1.00 1.00 H new ATOM 0 HD13 LEU A 56 7.041 -7.680 5.434 1.00 1.00 H new ATOM 0 HD21 LEU A 56 7.333 -6.004 2.876 1.00 1.00 H new ATOM 0 HD22 LEU A 56 6.104 -7.268 3.116 1.00 1.00 H new ATOM 0 HD23 LEU A 56 5.608 -5.620 2.664 1.00 1.00 H new ATOM 932 N MET A 57 1.947 -5.314 6.257 1.00 1.00 N ATOM 933 CA MET A 57 0.643 -5.636 6.802 1.00 1.00 C ATOM 934 C MET A 57 -0.432 -5.013 5.912 1.00 1.00 C ATOM 935 O MET A 57 -1.441 -5.637 5.595 1.00 1.00 O ATOM 936 CB MET A 57 0.516 -5.084 8.225 1.00 1.00 C ATOM 937 CG MET A 57 -0.820 -5.393 8.880 1.00 1.00 C ATOM 938 SD MET A 57 -0.984 -4.652 10.514 1.00 1.00 S ATOM 939 CE MET A 57 -2.609 -5.239 10.987 1.00 1.00 C ATOM 0 H MET A 57 2.515 -4.708 6.849 1.00 1.00 H new ATOM 0 HA MET A 57 0.519 -6.718 6.834 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.316 -5.497 8.839 1.00 1.00 H new ATOM 0 HB3 MET A 57 0.658 -4.004 8.201 1.00 1.00 H new ATOM 0 HG2 MET A 57 -1.625 -5.032 8.240 1.00 1.00 H new ATOM 0 HG3 MET A 57 -0.938 -6.473 8.962 1.00 1.00 H new ATOM 0 HE1 MET A 57 -2.857 -4.864 11.980 1.00 1.00 H new ATOM 0 HE2 MET A 57 -3.348 -4.882 10.270 1.00 1.00 H new ATOM 0 HE3 MET A 57 -2.613 -6.329 11.000 1.00 1.00 H new ATOM 949 N MET A 58 -0.160 -3.790 5.469 1.00 1.00 N ATOM 950 CA MET A 58 -1.086 -3.045 4.626 1.00 1.00 C ATOM 951 C MET A 58 -1.245 -3.674 3.228 1.00 1.00 C ATOM 952 O MET A 58 -2.358 -3.753 2.707 1.00 1.00 O ATOM 953 CB MET A 58 -0.622 -1.595 4.516 1.00 1.00 C ATOM 954 CG MET A 58 -1.464 -0.769 3.568 1.00 1.00 C ATOM 955 SD MET A 58 -1.021 0.971 3.584 1.00 1.00 S ATOM 956 CE MET A 58 -2.113 1.577 2.309 1.00 1.00 C ATOM 0 H MET A 58 0.703 -3.290 5.683 1.00 1.00 H new ATOM 0 HA MET A 58 -2.069 -3.081 5.097 1.00 1.00 H new ATOM 0 HB2 MET A 58 -0.645 -1.137 5.505 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.415 -1.577 4.180 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.353 -1.159 2.556 1.00 1.00 H new ATOM 0 HG3 MET A 58 -2.515 -0.875 3.836 1.00 1.00 H new ATOM 0 HE1 MET A 58 -1.543 1.757 1.397 1.00 1.00 H new ATOM 0 HE2 MET A 58 -2.888 0.837 2.112 1.00 1.00 H new ATOM 0 HE3 MET A 58 -2.575 2.508 2.638 1.00 1.00 H new ATOM 966 N VAL A 59 -0.143 -4.122 2.625 1.00 1.00 N ATOM 967 CA VAL A 59 -0.204 -4.755 1.305 1.00 1.00 C ATOM 968 C VAL A 59 -1.034 -6.041 1.399 1.00 1.00 C ATOM 969 O VAL A 59 -1.853 -6.345 0.526 1.00 1.00 O ATOM 970 CB VAL A 59 1.221 -5.018 0.730 1.00 1.00 C ATOM 971 CG1 VAL A 59 1.908 -6.242 1.338 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.184 -5.120 -0.787 1.00 1.00 C ATOM 0 H VAL A 59 0.794 -4.060 3.024 1.00 1.00 H new ATOM 0 HA VAL A 59 -0.693 -4.077 0.605 1.00 1.00 H new ATOM 0 HB VAL A 59 1.825 -4.156 1.015 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.895 -6.365 0.892 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.011 -6.104 2.414 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.308 -7.131 1.142 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.190 -5.304 -1.164 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.531 -5.942 -1.081 1.00 1.00 H new ATOM 0 HG23 VAL A 59 0.804 -4.188 -1.205 1.00 1.00 H new ATOM 982 N GLY A 60 -0.843 -6.759 2.501 1.00 1.00 N ATOM 983 CA GLY A 60 -1.598 -7.962 2.761 1.00 1.00 C ATOM 984 C GLY A 60 -3.074 -7.661 2.978 1.00 1.00 C ATOM 985 O GLY A 60 -3.938 -8.453 2.600 1.00 1.00 O ATOM 0 H GLY A 60 -0.167 -6.520 3.226 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.486 -8.651 1.924 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.195 -8.462 3.642 1.00 1.00 H new ATOM 989 N GLN A 61 -3.364 -6.503 3.581 1.00 1.00 N ATOM 990 CA GLN A 61 -4.750 -6.095 3.833 1.00 1.00 C ATOM 991 C GLN A 61 -5.458 -5.820 2.515 1.00 1.00 C ATOM 992 O GLN A 61 -6.610 -6.182 2.333 1.00 1.00 O ATOM 993 CB GLN A 61 -4.829 -4.825 4.693 1.00 1.00 C ATOM 994 CG GLN A 61 -4.349 -5.009 6.120 1.00 1.00 C ATOM 995 CD GLN A 61 -5.049 -6.152 6.826 1.00 1.00 C ATOM 996 OE1 GLN A 61 -6.107 -5.987 7.414 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.455 -7.324 6.779 1.00 1.00 N ATOM 0 H GLN A 61 -2.662 -5.836 3.902 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.230 -6.913 4.369 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -4.236 -4.042 4.220 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -5.861 -4.476 4.711 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -3.274 -5.192 6.117 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -4.514 -4.087 6.677 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.572 -7.428 6.279 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.877 -8.129 7.242 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.731 -5.206 1.582 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.281 -4.859 0.284 1.00 1.00 C ATOM 1008 C ARG A 62 -5.641 -6.124 -0.480 1.00 1.00 C ATOM 1009 O ARG A 62 -6.723 -6.243 -1.046 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.245 -4.030 -0.496 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.753 -3.335 -1.770 1.00 1.00 C ATOM 1012 CD ARG A 62 -5.022 -4.285 -2.956 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.819 -5.002 -3.426 1.00 1.00 N ATOM 1014 CZ ARG A 62 -3.769 -5.748 -4.513 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -4.795 -5.849 -5.302 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.670 -6.376 -4.817 1.00 1.00 N ATOM 0 H ARG A 62 -3.754 -4.940 1.708 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.187 -4.267 0.412 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.842 -3.269 0.172 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.418 -4.685 -0.769 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.673 -2.800 -1.534 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -4.020 -2.589 -2.078 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.777 -5.014 -2.662 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -5.438 -3.710 -3.783 1.00 1.00 H new ATOM 0 HE ARG A 62 -2.967 -4.914 -2.871 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -5.656 -5.347 -5.085 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -4.740 -6.430 -6.139 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -1.851 -6.291 -4.215 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -2.628 -6.954 -5.657 1.00 1.00 H new ATOM 1030 N ARG A 63 -4.726 -7.077 -0.447 1.00 1.00 N ATOM 1031 CA ARG A 63 -4.899 -8.339 -1.141 1.00 1.00 C ATOM 1032 C ARG A 63 -6.088 -9.138 -0.606 1.00 1.00 C ATOM 1033 O ARG A 63 -6.778 -9.815 -1.361 1.00 1.00 O ATOM 1034 CB ARG A 63 -3.619 -9.161 -1.017 1.00 1.00 C ATOM 1035 CG ARG A 63 -2.413 -8.506 -1.673 1.00 1.00 C ATOM 1036 CD ARG A 63 -1.132 -9.294 -1.407 1.00 1.00 C ATOM 1037 NE ARG A 63 0.060 -8.668 -2.005 1.00 1.00 N ATOM 1038 CZ ARG A 63 1.297 -8.987 -1.702 1.00 1.00 C ATOM 1039 NH1 ARG A 63 1.548 -9.868 -0.784 1.00 1.00 N ATOM 1040 NH2 ARG A 63 2.285 -8.409 -2.318 1.00 1.00 N ATOM 0 H ARG A 63 -3.845 -6.997 0.060 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.107 -8.119 -2.188 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.404 -9.327 0.039 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.780 -10.141 -1.467 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -2.578 -8.431 -2.748 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -2.300 -7.489 -1.296 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -0.986 -9.388 -0.331 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -1.243 -10.303 -1.803 1.00 1.00 H new ATOM 0 HE ARG A 63 -0.086 -7.937 -2.702 1.00 1.00 H new ATOM 0 HH11 ARG A 63 0.780 -10.321 -0.289 1.00 1.00 H new ATOM 0 HH12 ARG A 63 2.513 -10.108 -0.557 1.00 1.00 H new ATOM 0 HH21 ARG A 63 2.099 -7.709 -3.036 1.00 1.00 H new ATOM 0 HH22 ARG A 63 3.247 -8.656 -2.084 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.343 -9.055 0.689 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.448 -9.813 1.258 1.00 1.00 C ATOM 1056 C ARG A 64 -8.736 -8.988 1.439 1.00 1.00 C ATOM 1057 O ARG A 64 -9.831 -9.545 1.390 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.022 -10.465 2.572 1.00 1.00 C ATOM 1059 CG ARG A 64 -6.050 -11.616 2.363 1.00 1.00 C ATOM 1060 CD ARG A 64 -5.671 -12.294 3.678 1.00 1.00 C ATOM 1061 NE ARG A 64 -4.723 -11.503 4.481 1.00 1.00 N ATOM 1062 CZ ARG A 64 -4.624 -11.570 5.788 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -5.495 -12.231 6.483 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -3.663 -10.943 6.398 1.00 1.00 N ATOM 0 H ARG A 64 -5.817 -8.487 1.353 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.697 -10.589 0.534 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.559 -9.715 3.213 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -7.905 -10.830 3.096 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.497 -12.350 1.693 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -5.149 -11.245 1.874 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.574 -12.471 4.262 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -5.233 -13.269 3.465 1.00 1.00 H new ATOM 0 HE ARG A 64 -4.102 -10.861 3.989 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.267 -12.706 6.015 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -5.409 -12.277 7.498 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -2.987 -10.400 5.861 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -3.585 -10.994 7.414 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.630 -7.671 1.603 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.826 -6.836 1.788 1.00 1.00 C ATOM 1080 C LEU A 65 -10.656 -6.788 0.504 1.00 1.00 C ATOM 1081 O LEU A 65 -11.882 -6.695 0.555 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.450 -5.415 2.235 1.00 1.00 C ATOM 1083 CG LEU A 65 -10.622 -4.458 2.508 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -11.534 -5.001 3.601 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -10.095 -3.084 2.896 1.00 1.00 C ATOM 0 H LEU A 65 -7.747 -7.161 1.612 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.428 -7.290 2.575 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.849 -5.488 3.141 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.816 -4.971 1.468 1.00 1.00 H new ATOM 0 HG LEU A 65 -11.209 -4.371 1.594 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -12.353 -4.303 3.772 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -11.938 -5.965 3.292 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.964 -5.124 4.522 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -10.933 -2.414 3.087 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.485 -3.169 3.796 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.489 -2.684 2.083 1.00 1.00 H new ATOM 1097 N LEU A 66 -9.989 -6.885 -0.647 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.697 -6.859 -1.923 1.00 1.00 C ATOM 1099 C LEU A 66 -11.632 -8.067 -2.047 1.00 1.00 C ATOM 1100 O LEU A 66 -12.722 -7.963 -2.595 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.723 -6.759 -3.125 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.660 -7.871 -3.315 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -9.247 -9.136 -3.937 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -7.529 -7.354 -4.199 1.00 1.00 C ATOM 0 H LEU A 66 -8.976 -6.981 -0.720 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.309 -5.957 -1.945 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -10.323 -6.716 -4.034 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -9.196 -5.808 -3.046 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.284 -8.132 -2.326 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -8.462 -9.884 -4.049 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -10.033 -9.528 -3.291 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -9.666 -8.900 -4.915 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -6.783 -8.138 -4.331 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -7.929 -7.067 -5.171 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -7.065 -6.488 -3.727 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.222 -9.192 -1.475 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.016 -10.419 -1.521 1.00 1.00 C ATOM 1118 C ARG A 67 -13.156 -10.359 -0.498 1.00 1.00 C ATOM 1119 O ARG A 67 -14.286 -10.755 -0.780 1.00 1.00 O ATOM 1120 CB ARG A 67 -11.103 -11.621 -1.250 1.00 1.00 C ATOM 1121 CG ARG A 67 -11.799 -12.979 -1.271 1.00 1.00 C ATOM 1122 CD ARG A 67 -12.420 -13.302 -2.635 1.00 1.00 C ATOM 1123 NE ARG A 67 -11.430 -13.316 -3.723 1.00 1.00 N ATOM 1124 CZ ARG A 67 -11.712 -13.531 -4.988 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -12.905 -13.892 -5.350 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -10.778 -13.418 -5.884 1.00 1.00 N ATOM 0 H ARG A 67 -10.340 -9.283 -0.971 1.00 1.00 H new ATOM 0 HA ARG A 67 -12.462 -10.526 -2.510 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -10.306 -11.627 -1.993 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -10.631 -11.487 -0.277 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -11.080 -13.756 -1.010 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -12.577 -12.996 -0.508 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -12.911 -14.274 -2.584 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -13.192 -12.566 -2.861 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.455 -13.147 -3.478 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -13.636 -14.012 -4.649 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -13.111 -14.056 -6.335 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -9.831 -13.163 -5.604 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -10.992 -13.584 -6.867 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.840 -9.845 0.684 1.00 1.00 N ATOM 1141 CA TYR A 68 -13.815 -9.704 1.765 1.00 1.00 C ATOM 1142 C TYR A 68 -14.927 -8.726 1.363 1.00 1.00 C ATOM 1143 O TYR A 68 -16.113 -9.035 1.462 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.090 -9.209 3.021 1.00 1.00 C ATOM 1145 CG TYR A 68 -13.973 -9.039 4.237 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.340 -10.132 5.009 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -14.378 -7.775 4.654 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -15.133 -9.979 6.130 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -15.176 -7.615 5.771 1.00 1.00 C ATOM 1150 CZ TYR A 68 -15.525 -8.718 6.521 1.00 1.00 C ATOM 1151 OH TYR A 68 -16.298 -8.563 7.649 1.00 1.00 O ATOM 0 H TYR A 68 -11.905 -9.514 0.923 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.279 -10.669 1.968 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.293 -9.911 3.264 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.616 -8.253 2.797 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -14.000 -11.118 4.729 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.064 -6.905 4.096 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -15.444 -10.844 6.697 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -15.524 -6.633 6.054 1.00 1.00 H new ATOM 0 HH TYR A 68 -16.487 -7.612 7.788 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.520 -7.558 0.879 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.458 -6.521 0.444 1.00 1.00 C ATOM 1163 C LEU A 69 -16.297 -7.009 -0.741 1.00 1.00 C ATOM 1164 O LEU A 69 -17.504 -6.805 -0.789 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.677 -5.261 0.046 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.515 -4.067 -0.429 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -16.410 -3.554 0.688 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.607 -2.953 -0.934 1.00 1.00 C ATOM 0 H LEU A 69 -13.538 -7.301 0.776 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.132 -6.290 1.269 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.081 -4.943 0.901 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -13.979 -5.527 -0.748 1.00 1.00 H new ATOM 0 HG LEU A 69 -16.152 -4.401 -1.248 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.994 -2.708 0.327 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -17.083 -4.349 1.009 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -15.795 -3.237 1.530 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -15.214 -2.112 -1.268 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.948 -2.628 -0.129 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -14.008 -3.321 -1.767 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.634 -7.682 -1.675 1.00 1.00 N ATOM 1181 CA GLN A 70 -16.281 -8.210 -2.882 1.00 1.00 C ATOM 1182 C GLN A 70 -17.394 -9.180 -2.562 1.00 1.00 C ATOM 1183 O GLN A 70 -18.456 -9.168 -3.179 1.00 1.00 O ATOM 1184 CB GLN A 70 -15.245 -8.949 -3.726 1.00 1.00 C ATOM 1185 CG GLN A 70 -15.823 -9.703 -4.914 1.00 1.00 C ATOM 1186 CD GLN A 70 -14.755 -10.436 -5.703 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -13.737 -10.853 -5.163 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -14.976 -10.598 -6.991 1.00 1.00 N ATOM 0 H GLN A 70 -14.635 -7.879 -1.622 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.705 -7.360 -3.416 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -14.511 -8.230 -4.090 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -14.711 -9.654 -3.089 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -16.566 -10.418 -4.561 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -16.340 -9.003 -5.570 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -15.834 -10.239 -7.410 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -14.290 -11.083 -7.569 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.131 -10.016 -1.599 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.061 -11.039 -1.204 1.00 1.00 C ATOM 1199 C ARG A 71 -19.250 -10.488 -0.411 1.00 1.00 C ATOM 1200 O ARG A 71 -20.399 -10.777 -0.738 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.310 -12.069 -0.387 1.00 1.00 C ATOM 1202 CG ARG A 71 -18.083 -13.341 -0.140 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.304 -14.250 0.793 1.00 1.00 C ATOM 1204 NE ARG A 71 -17.088 -13.608 2.092 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.187 -13.951 2.964 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -15.420 -14.983 2.767 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -16.068 -13.253 4.049 1.00 1.00 N ATOM 0 H ARG A 71 -16.263 -10.009 -1.063 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.482 -11.488 -2.103 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -16.380 -12.315 -0.899 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.039 -11.629 0.573 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.055 -13.107 0.295 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -18.271 -13.851 -1.085 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -17.846 -15.186 0.931 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -16.343 -14.501 0.343 1.00 1.00 H new ATOM 0 HE ARG A 71 -17.696 -12.825 2.333 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -15.520 -15.538 1.917 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -14.718 -15.237 3.462 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -16.676 -12.449 4.208 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.367 -13.507 4.745 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.988 -9.659 0.596 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.085 -9.132 1.425 1.00 1.00 C ATOM 1223 C GLU A 72 -20.789 -7.944 0.772 1.00 1.00 C ATOM 1224 O GLU A 72 -21.746 -7.394 1.322 1.00 1.00 O ATOM 1225 CB GLU A 72 -19.605 -8.757 2.828 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.684 -9.913 3.822 1.00 1.00 C ATOM 1227 CD GLU A 72 -18.742 -11.067 3.500 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -19.086 -11.907 2.643 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -17.657 -11.151 4.116 1.00 1.00 O ATOM 0 H GLU A 72 -18.055 -9.340 0.859 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.811 -9.940 1.514 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -18.575 -8.406 2.770 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.204 -7.926 3.200 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -19.456 -9.538 4.820 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -20.707 -10.288 3.848 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.313 -7.559 -0.396 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.897 -6.468 -1.149 1.00 1.00 C ATOM 1238 C ASP A 73 -20.322 -6.462 -2.564 1.00 1.00 C ATOM 1239 O ASP A 73 -19.355 -5.756 -2.863 1.00 1.00 O ATOM 1240 CB ASP A 73 -20.647 -5.128 -0.458 1.00 1.00 C ATOM 1241 CG ASP A 73 -21.586 -4.051 -0.939 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -21.768 -3.925 -2.164 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.101 -3.301 -0.087 1.00 1.00 O ATOM 0 H ASP A 73 -19.510 -7.995 -0.849 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.976 -6.614 -1.201 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -20.760 -5.251 0.619 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -19.618 -4.816 -0.637 1.00 1.00 H new ATOM 1248 N PRO A 74 -20.890 -7.290 -3.451 1.00 1.00 N ATOM 1249 CA PRO A 74 -20.444 -7.378 -4.846 1.00 1.00 C ATOM 1250 C PRO A 74 -20.721 -6.081 -5.595 1.00 1.00 C ATOM 1251 O PRO A 74 -20.081 -5.768 -6.603 1.00 1.00 O ATOM 1252 CB PRO A 74 -21.287 -8.519 -5.422 1.00 1.00 C ATOM 1253 CG PRO A 74 -21.792 -9.259 -4.229 1.00 1.00 C ATOM 1254 CD PRO A 74 -21.997 -8.213 -3.176 1.00 1.00 C ATOM 0 HA PRO A 74 -19.371 -7.550 -4.932 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.109 -8.137 -6.028 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -20.691 -9.166 -6.065 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -22.723 -9.780 -4.453 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -21.076 -10.013 -3.901 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -22.968 -7.726 -3.267 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.942 -8.629 -2.170 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.671 -5.324 -5.068 1.00 1.00 N ATOM 1263 CA GLU A 75 -22.058 -4.048 -5.638 1.00 1.00 C ATOM 1264 C GLU A 75 -20.914 -3.060 -5.463 1.00 1.00 C ATOM 1265 O GLU A 75 -20.469 -2.418 -6.419 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.307 -3.524 -4.929 1.00 1.00 C ATOM 1267 CG GLU A 75 -24.465 -4.511 -4.902 1.00 1.00 C ATOM 1268 CD GLU A 75 -25.686 -3.954 -4.194 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -25.590 -3.656 -2.988 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -26.742 -3.822 -4.848 1.00 1.00 O ATOM 0 H GLU A 75 -22.195 -5.580 -4.231 1.00 1.00 H new ATOM 0 HA GLU A 75 -22.278 -4.170 -6.699 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.046 -3.258 -3.905 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.635 -2.609 -5.422 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.733 -4.780 -5.924 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -24.146 -5.427 -4.404 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.429 -2.953 -4.230 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.315 -2.066 -3.934 1.00 1.00 C ATOM 1279 C ARG A 76 -18.028 -2.539 -4.620 1.00 1.00 C ATOM 1280 O ARG A 76 -17.232 -1.716 -5.042 1.00 1.00 O ATOM 1281 CB ARG A 76 -19.077 -1.900 -2.426 1.00 1.00 C ATOM 1282 CG ARG A 76 -19.995 -0.869 -1.776 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.650 -0.631 -0.299 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.019 -1.771 0.553 1.00 1.00 N ATOM 1285 CZ ARG A 76 -19.539 -2.026 1.749 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -18.636 -1.268 2.303 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -19.981 -3.061 2.393 1.00 1.00 N ATOM 0 H ARG A 76 -20.789 -3.467 -3.426 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.590 -1.090 -4.333 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.220 -2.863 -1.935 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.040 -1.608 -2.260 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -19.923 0.073 -2.320 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -21.029 -1.205 -1.856 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.581 -0.441 -0.204 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.165 0.263 0.052 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.710 -2.423 0.182 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -18.282 -0.450 1.807 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -18.283 -1.492 3.233 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -20.689 -3.661 1.970 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -19.620 -3.275 3.323 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.817 -3.854 -4.745 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.607 -4.353 -5.429 1.00 1.00 C ATOM 1303 C TYR A 77 -16.499 -3.725 -6.793 1.00 1.00 C ATOM 1304 O TYR A 77 -15.539 -3.041 -7.151 1.00 1.00 O ATOM 1305 CB TYR A 77 -16.679 -5.857 -5.697 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.360 -6.404 -6.194 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.227 -6.293 -5.407 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -15.238 -7.009 -7.445 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.008 -6.769 -5.838 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -14.015 -7.489 -7.884 1.00 1.00 C ATOM 1311 CZ TYR A 77 -12.904 -7.366 -7.073 1.00 1.00 C ATOM 1312 OH TYR A 77 -11.688 -7.846 -7.495 1.00 1.00 O ATOM 0 H TYR A 77 -18.445 -4.578 -4.395 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.768 -4.112 -4.776 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.966 -6.376 -4.782 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.456 -6.058 -6.434 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.300 -5.824 -4.437 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.107 -7.104 -8.079 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.136 -6.674 -5.208 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -13.931 -7.956 -8.854 1.00 1.00 H new ATOM 0 HH TYR A 77 -11.783 -8.239 -8.388 1.00 1.00 H new ATOM 1322 N ARG A 78 -17.557 -3.979 -7.512 1.00 1.00 N ATOM 1323 CA ARG A 78 -17.745 -3.579 -8.861 1.00 1.00 C ATOM 1324 C ARG A 78 -17.610 -2.085 -9.069 1.00 1.00 C ATOM 1325 O ARG A 78 -16.774 -1.629 -9.837 1.00 1.00 O ATOM 1326 CB ARG A 78 -19.151 -4.022 -9.220 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.454 -4.039 -10.700 1.00 1.00 C ATOM 1328 CD ARG A 78 -18.590 -5.064 -11.429 1.00 1.00 C ATOM 1329 NE ARG A 78 -19.076 -5.334 -12.789 1.00 1.00 N ATOM 1330 CZ ARG A 78 -18.366 -5.897 -13.740 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -17.115 -6.181 -13.559 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -18.915 -6.150 -14.891 1.00 1.00 N ATOM 0 H ARG A 78 -18.351 -4.501 -7.142 1.00 1.00 H new ATOM 0 HA ARG A 78 -16.976 -4.029 -9.489 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -19.315 -5.022 -8.819 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -19.862 -3.360 -8.726 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -20.508 -4.271 -10.855 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.281 -3.049 -11.121 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -17.563 -4.702 -11.477 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -18.574 -5.993 -10.860 1.00 1.00 H new ATOM 0 HE ARG A 78 -20.034 -5.065 -13.011 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -16.667 -5.967 -12.668 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -16.578 -6.618 -14.308 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -19.893 -5.911 -15.053 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -18.367 -6.587 -15.632 1.00 1.00 H new ATOM 1346 N ALA A 79 -18.389 -1.316 -8.346 1.00 1.00 N ATOM 1347 CA ALA A 79 -18.375 0.110 -8.573 1.00 1.00 C ATOM 1348 C ALA A 79 -17.239 0.837 -7.867 1.00 1.00 C ATOM 1349 O ALA A 79 -16.932 1.973 -8.212 1.00 1.00 O ATOM 1350 CB ALA A 79 -19.720 0.718 -8.265 1.00 1.00 C ATOM 0 H ALA A 79 -19.023 -1.640 -7.616 1.00 1.00 H new ATOM 0 HA ALA A 79 -18.175 0.247 -9.636 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -19.683 1.793 -8.444 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -20.478 0.269 -8.907 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -19.973 0.533 -7.221 1.00 1.00 H new ATOM 1356 N LEU A 80 -16.603 0.223 -6.890 1.00 1.00 N ATOM 1357 CA LEU A 80 -15.481 0.891 -6.268 1.00 1.00 C ATOM 1358 C LEU A 80 -14.256 0.715 -7.159 1.00 1.00 C ATOM 1359 O LEU A 80 -13.372 1.562 -7.181 1.00 1.00 O ATOM 1360 CB LEU A 80 -15.217 0.392 -4.850 1.00 1.00 C ATOM 1361 CG LEU A 80 -14.125 1.143 -4.074 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -14.492 2.611 -3.885 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -13.893 0.479 -2.727 1.00 1.00 C ATOM 0 H LEU A 80 -16.832 -0.700 -6.522 1.00 1.00 H new ATOM 0 HA LEU A 80 -15.716 1.951 -6.168 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -16.147 0.453 -4.284 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.942 -0.662 -4.900 1.00 1.00 H new ATOM 0 HG LEU A 80 -13.204 1.101 -4.656 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.700 3.116 -3.332 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -14.613 3.084 -4.859 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -15.426 2.684 -3.328 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -13.117 1.019 -2.184 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -14.817 0.495 -2.150 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -13.578 -0.553 -2.880 1.00 1.00 H new ATOM 1375 N ILE A 81 -14.218 -0.359 -7.950 1.00 1.00 N ATOM 1376 CA ILE A 81 -13.081 -0.529 -8.838 1.00 1.00 C ATOM 1377 C ILE A 81 -13.258 0.435 -10.009 1.00 1.00 C ATOM 1378 O ILE A 81 -12.295 1.011 -10.525 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.804 -2.005 -9.260 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -13.951 -2.697 -10.012 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -12.492 -2.800 -8.005 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -13.994 -2.415 -11.497 1.00 1.00 C ATOM 0 H ILE A 81 -14.928 -1.090 -7.992 1.00 1.00 H new ATOM 0 HA ILE A 81 -12.168 -0.278 -8.298 1.00 1.00 H new ATOM 0 HB ILE A 81 -11.972 -1.973 -9.964 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -13.868 -3.774 -9.863 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.897 -2.386 -9.569 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.294 -3.838 -8.272 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.615 -2.377 -7.515 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.343 -2.756 -7.325 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -14.835 -2.945 -11.944 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -14.112 -1.344 -11.661 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.066 -2.753 -11.959 1.00 1.00 H new ATOM 1394 N GLU A 82 -14.517 0.637 -10.383 1.00 1.00 N ATOM 1395 CA GLU A 82 -14.879 1.613 -11.397 1.00 1.00 C ATOM 1396 C GLU A 82 -14.515 3.019 -10.903 1.00 1.00 C ATOM 1397 O GLU A 82 -13.846 3.785 -11.586 1.00 1.00 O ATOM 1398 CB GLU A 82 -16.392 1.576 -11.656 1.00 1.00 C ATOM 1399 CG GLU A 82 -16.891 0.318 -12.349 1.00 1.00 C ATOM 1400 CD GLU A 82 -16.376 0.191 -13.769 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -16.700 1.063 -14.600 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -15.643 -0.785 -14.051 1.00 1.00 O ATOM 0 H GLU A 82 -15.310 0.129 -9.992 1.00 1.00 H new ATOM 0 HA GLU A 82 -14.341 1.375 -12.315 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -16.912 1.679 -10.704 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -16.664 2.440 -12.263 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -16.582 -0.555 -11.775 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -17.981 0.322 -12.361 1.00 1.00 H new ATOM 1409 N LYS A 83 -14.921 3.320 -9.673 1.00 1.00 N ATOM 1410 CA LYS A 83 -14.694 4.638 -9.077 1.00 1.00 C ATOM 1411 C LYS A 83 -13.214 4.923 -8.775 1.00 1.00 C ATOM 1412 O LYS A 83 -12.723 6.012 -9.063 1.00 1.00 O ATOM 1413 CB LYS A 83 -15.530 4.778 -7.803 1.00 1.00 C ATOM 1414 CG LYS A 83 -15.457 6.161 -7.181 1.00 1.00 C ATOM 1415 CD LYS A 83 -16.401 6.302 -5.996 1.00 1.00 C ATOM 1416 CE LYS A 83 -17.859 6.146 -6.405 1.00 1.00 C ATOM 1417 NZ LYS A 83 -18.786 6.422 -5.271 1.00 1.00 N ATOM 0 H LYS A 83 -15.412 2.666 -9.064 1.00 1.00 H new ATOM 0 HA LYS A 83 -15.004 5.378 -9.815 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -16.570 4.546 -8.033 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -15.193 4.042 -7.074 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -14.435 6.359 -6.857 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -15.704 6.910 -7.933 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -16.153 5.552 -5.244 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -16.257 7.278 -5.532 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -18.080 6.825 -7.228 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -18.027 5.134 -6.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -19.769 6.305 -5.590 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -18.593 5.757 -4.495 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -18.644 7.396 -4.936 1.00 1.00 H new ATOM 1431 N LEU A 84 -12.506 3.957 -8.195 1.00 1.00 N ATOM 1432 CA LEU A 84 -11.088 4.155 -7.872 1.00 1.00 C ATOM 1433 C LEU A 84 -10.252 4.349 -9.130 1.00 1.00 C ATOM 1434 O LEU A 84 -9.251 5.059 -9.120 1.00 1.00 O ATOM 1435 CB LEU A 84 -10.519 2.969 -7.085 1.00 1.00 C ATOM 1436 CG LEU A 84 -11.069 2.782 -5.670 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -10.431 1.569 -5.014 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -10.829 4.025 -4.828 1.00 1.00 C ATOM 0 H LEU A 84 -12.879 3.042 -7.941 1.00 1.00 H new ATOM 0 HA LEU A 84 -11.035 5.054 -7.259 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -10.709 2.057 -7.651 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -9.437 3.085 -7.021 1.00 1.00 H new ATOM 0 HG LEU A 84 -12.145 2.620 -5.739 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.831 1.447 -4.007 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.652 0.679 -5.603 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -9.351 1.710 -4.961 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -11.229 3.868 -3.826 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -9.759 4.221 -4.765 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -11.328 4.878 -5.288 1.00 1.00 H new ATOM 1450 N GLY A 85 -10.659 3.717 -10.211 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.901 3.838 -11.433 1.00 1.00 C ATOM 1452 C GLY A 85 -8.982 2.663 -11.601 1.00 1.00 C ATOM 1453 O GLY A 85 -7.807 2.789 -11.916 1.00 1.00 O ATOM 0 H GLY A 85 -11.490 3.128 -10.268 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -10.579 3.901 -12.284 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -9.322 4.761 -11.418 1.00 1.00 H new ATOM 1457 N ILE A 86 -9.527 1.509 -11.342 1.00 1.00 N ATOM 1458 CA ILE A 86 -8.781 0.291 -11.439 1.00 1.00 C ATOM 1459 C ILE A 86 -8.896 -0.289 -12.872 1.00 1.00 C ATOM 1460 O ILE A 86 -8.047 -1.050 -13.342 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.299 -0.667 -10.349 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -8.585 -0.354 -9.011 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.170 -2.126 -10.746 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -9.052 -1.195 -7.835 1.00 1.00 C ATOM 0 H ILE A 86 -10.499 1.388 -11.058 1.00 1.00 H new ATOM 0 HA ILE A 86 -7.717 0.457 -11.269 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.369 -0.500 -10.222 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.513 -0.501 -9.143 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -8.736 0.699 -8.771 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.550 -2.757 -9.942 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -9.746 -2.309 -11.653 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.122 -2.362 -10.928 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.499 -0.909 -6.940 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -10.117 -1.032 -7.671 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.875 -2.249 -8.049 1.00 1.00 H new ATOM 1476 N ARG A 87 -9.938 0.139 -13.609 1.00 1.00 N ATOM 1477 CA ARG A 87 -10.179 -0.316 -15.021 1.00 1.00 C ATOM 1478 C ARG A 87 -9.315 0.495 -15.950 1.00 1.00 C ATOM 1479 O ARG A 87 -9.093 0.183 -17.134 1.00 1.00 O ATOM 1480 CB ARG A 87 -11.648 -0.191 -15.343 1.00 1.00 C ATOM 1481 CG ARG A 87 -12.505 -1.084 -14.458 1.00 1.00 C ATOM 1482 CD ARG A 87 -12.289 -2.557 -14.800 1.00 1.00 C ATOM 1483 NE ARG A 87 -12.625 -2.837 -16.205 1.00 1.00 N ATOM 1484 CZ ARG A 87 -12.339 -3.944 -16.843 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -11.789 -4.945 -16.229 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -12.627 -4.044 -18.104 1.00 1.00 N ATOM 0 H ARG A 87 -10.635 0.799 -13.264 1.00 1.00 H new ATOM 0 HA ARG A 87 -9.908 -1.364 -15.145 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.959 0.846 -15.220 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.813 -0.451 -16.388 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -12.258 -0.910 -13.411 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.557 -0.827 -14.585 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -11.250 -2.827 -14.612 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -12.903 -3.177 -14.147 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.120 -2.111 -16.723 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.573 -4.877 -15.234 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.573 -5.800 -16.741 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -13.072 -3.265 -18.589 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -12.408 -4.902 -18.611 1.00 1.00 H new ATOM 1500 N GLY A 88 -9.002 1.641 -15.356 1.00 1.00 N ATOM 1501 CA GLY A 88 -8.009 2.589 -15.849 1.00 1.00 C ATOM 1502 C GLY A 88 -8.288 4.018 -15.480 1.00 1.00 C ATOM 1503 O GLY A 88 -7.408 4.822 -15.771 1.00 1.00 O ATOM 1504 OXT GLY A 88 -9.417 4.323 -15.015 1.00 1.00 O ATOM 0 H GLY A 88 -9.447 1.946 -14.490 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -7.030 2.309 -15.459 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -7.954 2.510 -16.935 1.00 1.00 H new