USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 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 Set 1.1: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 61 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Set 1.3: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 49 HIS : no HD1:sc=0.000167 X(o=0.021,f=-0.027) USER MOD Set 2.2: A 51 SER OG : rot 125:sc= 0.0206 USER MOD Single : A 23 SER OG : rot 29:sc= 0.0742 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 32 THR OG1 : rot 68:sc= 1.17 USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 39 SER OG : rot 84:sc= 1.24 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 151:sc= 1.25 (180deg=1.15) USER MOD Single : A 45 HIS : no HE2:sc= 0.663 K(o=0.66,f=-2.3!) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= -0.237 (180deg=-1.71!) USER MOD Single : A 47 LYS NZ :NH3+ 163:sc= -0.0333 (180deg=-0.246) USER MOD Single : A 50 HIS : no HD1:sc= -0.913 K(o=-0.91,f=0.078) USER MOD Single : A 52 HIS : no HD1:sc= -0.16 X(o=-0.16,f=-0.034) USER MOD Single : A 58 MET CE :methyl -171:sc= -1.05 (180deg=-1.2) USER MOD Single : A 70 GLN : amide:sc= -0.7 K(o=-0.7,f=0) 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 -16.545 12.450 -4.059 1.00 1.00 N ATOM 216 CA GLU A 13 -16.686 11.354 -5.011 1.00 1.00 C ATOM 217 C GLU A 13 -16.777 9.969 -4.364 1.00 1.00 C ATOM 218 O GLU A 13 -17.718 9.222 -4.624 1.00 1.00 O ATOM 219 CB GLU A 13 -15.519 11.414 -5.984 1.00 1.00 C ATOM 220 CG GLU A 13 -15.584 10.389 -7.090 1.00 1.00 C ATOM 221 CD GLU A 13 -14.537 10.645 -8.147 1.00 1.00 C ATOM 222 OE1 GLU A 13 -13.384 10.205 -7.957 1.00 1.00 O ATOM 223 OE2 GLU A 13 -14.866 11.291 -9.164 1.00 1.00 O ATOM 0 HA GLU A 13 -17.637 11.488 -5.526 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.481 12.409 -6.427 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.591 11.276 -5.430 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -15.444 9.392 -6.672 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -16.574 10.407 -7.546 1.00 1.00 H new ATOM 230 N PHE A 14 -15.805 9.620 -3.537 1.00 1.00 N ATOM 231 CA PHE A 14 -15.817 8.311 -2.886 1.00 1.00 C ATOM 232 C PHE A 14 -16.960 8.244 -1.886 1.00 1.00 C ATOM 233 O PHE A 14 -17.863 7.413 -2.004 1.00 1.00 O ATOM 234 CB PHE A 14 -14.483 8.058 -2.193 1.00 1.00 C ATOM 235 CG PHE A 14 -13.390 7.693 -3.150 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.162 6.368 -3.487 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.597 8.672 -3.723 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.161 6.028 -4.374 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.593 8.340 -4.610 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.375 7.015 -4.937 1.00 1.00 C ATOM 0 H PHE A 14 -15.008 10.211 -3.300 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.965 7.537 -3.639 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -14.192 8.951 -1.640 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.604 7.256 -1.464 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -13.775 5.593 -3.051 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.766 9.709 -3.473 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.992 4.992 -4.628 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -10.979 9.114 -5.047 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.591 6.751 -5.632 1.00 1.00 H new ATOM 358 N SER A 23 -15.710 5.716 6.028 1.00 1.00 N ATOM 359 CA SER A 23 -15.917 4.314 5.751 1.00 1.00 C ATOM 360 C SER A 23 -14.946 3.794 4.690 1.00 1.00 C ATOM 361 O SER A 23 -14.072 4.510 4.199 1.00 1.00 O ATOM 362 CB SER A 23 -17.376 4.050 5.352 1.00 1.00 C ATOM 363 OG SER A 23 -18.259 4.462 6.388 1.00 1.00 O ATOM 0 HA SER A 23 -15.710 3.762 6.668 1.00 1.00 H new ATOM 0 HB2 SER A 23 -17.610 4.586 4.432 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.517 2.989 5.147 1.00 1.00 H new ATOM 0 HG SER A 23 -17.854 5.201 6.888 1.00 1.00 H new ATOM 369 N THR A 24 -15.157 2.553 4.327 1.00 1.00 N ATOM 370 CA THR A 24 -14.319 1.796 3.390 1.00 1.00 C ATOM 371 C THR A 24 -13.814 2.551 2.147 1.00 1.00 C ATOM 372 O THR A 24 -12.609 2.637 1.930 1.00 1.00 O ATOM 373 CB THR A 24 -15.104 0.554 2.956 1.00 1.00 C ATOM 374 OG1 THR A 24 -15.783 0.033 4.102 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.201 -0.516 2.378 1.00 1.00 C ATOM 0 H THR A 24 -15.944 2.009 4.682 1.00 1.00 H new ATOM 0 HA THR A 24 -13.406 1.560 3.936 1.00 1.00 H new ATOM 0 HB THR A 24 -15.808 0.843 2.175 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.294 -0.763 3.846 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.800 -1.378 2.084 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.681 -0.121 1.505 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.471 -0.820 3.128 1.00 1.00 H new ATOM 383 N GLU A 25 -14.718 3.110 1.362 1.00 1.00 N ATOM 384 CA GLU A 25 -14.351 3.798 0.112 1.00 1.00 C ATOM 385 C GLU A 25 -13.236 4.839 0.288 1.00 1.00 C ATOM 386 O GLU A 25 -12.203 4.766 -0.376 1.00 1.00 O ATOM 387 CB GLU A 25 -15.601 4.430 -0.497 1.00 1.00 C ATOM 388 CG GLU A 25 -16.636 3.381 -0.877 1.00 1.00 C ATOM 389 CD GLU A 25 -18.021 3.945 -1.144 1.00 1.00 C ATOM 390 OE1 GLU A 25 -18.601 4.572 -0.240 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.560 3.708 -2.248 1.00 1.00 O ATOM 0 H GLU A 25 -15.719 3.107 1.559 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.941 3.048 -0.565 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.038 5.131 0.215 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.324 5.005 -1.381 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.293 2.853 -1.767 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.703 2.645 -0.076 1.00 1.00 H new ATOM 398 N VAL A 26 -13.424 5.776 1.199 1.00 1.00 N ATOM 399 CA VAL A 26 -12.423 6.818 1.424 1.00 1.00 C ATOM 400 C VAL A 26 -11.155 6.276 2.099 1.00 1.00 C ATOM 401 O VAL A 26 -10.044 6.636 1.713 1.00 1.00 O ATOM 402 CB VAL A 26 -12.998 7.979 2.269 1.00 1.00 C ATOM 403 CG1 VAL A 26 -11.925 9.004 2.620 1.00 1.00 C ATOM 404 CG2 VAL A 26 -14.137 8.655 1.528 1.00 1.00 C ATOM 0 H VAL A 26 -14.250 5.843 1.793 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.150 7.192 0.437 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.374 7.554 3.200 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -12.367 9.804 3.214 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -11.134 8.521 3.194 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -11.506 9.421 1.704 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.532 9.470 2.134 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -13.770 9.052 0.581 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -14.927 7.929 1.336 1.00 1.00 H new ATOM 414 N GLN A 27 -11.297 5.365 3.056 1.00 1.00 N ATOM 415 CA GLN A 27 -10.116 4.871 3.764 1.00 1.00 C ATOM 416 C GLN A 27 -9.295 3.865 2.943 1.00 1.00 C ATOM 417 O GLN A 27 -8.097 3.714 3.167 1.00 1.00 O ATOM 418 CB GLN A 27 -10.468 4.335 5.145 1.00 1.00 C ATOM 419 CG GLN A 27 -11.390 3.135 5.156 1.00 1.00 C ATOM 420 CD GLN A 27 -11.691 2.667 6.563 1.00 1.00 C ATOM 421 OE1 GLN A 27 -12.658 3.086 7.181 1.00 1.00 O ATOM 422 NE2 GLN A 27 -10.856 1.797 7.085 1.00 1.00 N ATOM 0 H GLN A 27 -12.186 4.963 3.354 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.466 5.734 3.908 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -9.545 4.068 5.659 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.933 5.136 5.720 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -12.322 3.389 4.651 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -10.933 2.321 4.593 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -10.058 1.467 6.542 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -11.006 1.452 8.033 1.00 1.00 H new ATOM 431 N VAL A 28 -9.926 3.166 2.007 1.00 1.00 N ATOM 432 CA VAL A 28 -9.185 2.270 1.125 1.00 1.00 C ATOM 433 C VAL A 28 -8.504 3.132 0.067 1.00 1.00 C ATOM 434 O VAL A 28 -7.415 2.822 -0.420 1.00 1.00 O ATOM 435 CB VAL A 28 -10.090 1.207 0.470 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.345 0.403 -0.589 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.657 0.277 1.530 1.00 1.00 C ATOM 0 H VAL A 28 -10.932 3.200 1.840 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.450 1.715 1.708 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.907 1.730 -0.027 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -10.018 -0.335 -1.026 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.986 1.074 -1.369 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.497 -0.106 -0.130 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.294 -0.469 1.056 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.840 -0.222 2.051 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.244 0.854 2.244 1.00 1.00 H new ATOM 447 N ALA A 29 -9.147 4.250 -0.261 1.00 1.00 N ATOM 448 CA ALA A 29 -8.572 5.197 -1.198 1.00 1.00 C ATOM 449 C ALA A 29 -7.282 5.745 -0.601 1.00 1.00 C ATOM 450 O ALA A 29 -6.262 5.852 -1.276 1.00 1.00 O ATOM 451 CB ALA A 29 -9.542 6.328 -1.507 1.00 1.00 C ATOM 0 H ALA A 29 -10.060 4.517 0.108 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.361 4.689 -2.139 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.081 7.020 -2.212 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.452 5.917 -1.944 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -9.788 6.858 -0.587 1.00 1.00 H new ATOM 457 N LEU A 30 -7.317 6.047 0.690 1.00 1.00 N ATOM 458 CA LEU A 30 -6.129 6.552 1.358 1.00 1.00 C ATOM 459 C LEU A 30 -5.135 5.410 1.648 1.00 1.00 C ATOM 460 O LEU A 30 -3.926 5.630 1.680 1.00 1.00 O ATOM 461 CB LEU A 30 -6.498 7.361 2.621 1.00 1.00 C ATOM 462 CG LEU A 30 -7.049 6.590 3.839 1.00 1.00 C ATOM 463 CD1 LEU A 30 -5.936 5.979 4.685 1.00 1.00 C ATOM 464 CD2 LEU A 30 -7.901 7.525 4.693 1.00 1.00 C ATOM 0 H LEU A 30 -8.140 5.953 1.285 1.00 1.00 H new ATOM 0 HA LEU A 30 -5.623 7.246 0.687 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.608 7.902 2.943 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.239 8.107 2.335 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.659 5.768 3.464 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.372 5.447 5.530 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.357 5.283 4.077 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.282 6.770 5.053 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.290 6.979 5.553 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.291 8.360 5.038 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -8.732 7.905 4.099 1.00 1.00 H new ATOM 476 N LEU A 31 -5.634 4.185 1.810 1.00 1.00 N ATOM 477 CA LEU A 31 -4.761 3.041 2.063 1.00 1.00 C ATOM 478 C LEU A 31 -3.963 2.732 0.782 1.00 1.00 C ATOM 479 O LEU A 31 -2.763 2.457 0.821 1.00 1.00 O ATOM 480 CB LEU A 31 -5.589 1.853 2.623 1.00 1.00 C ATOM 481 CG LEU A 31 -6.114 0.750 1.659 1.00 1.00 C ATOM 482 CD1 LEU A 31 -5.008 -0.129 1.092 1.00 1.00 C ATOM 483 CD2 LEU A 31 -7.118 -0.124 2.399 1.00 1.00 C ATOM 0 H LEU A 31 -6.628 3.961 1.771 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.025 3.261 2.836 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.978 1.359 3.379 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.454 2.274 3.137 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.580 1.259 0.815 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.442 -0.877 0.428 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.304 0.487 0.533 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.485 -0.628 1.908 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.490 -0.899 1.729 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.633 -0.589 3.257 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.951 0.489 2.742 1.00 1.00 H new ATOM 495 N THR A 32 -4.632 2.851 -0.356 1.00 1.00 N ATOM 496 CA THR A 32 -3.996 2.645 -1.657 1.00 1.00 C ATOM 497 C THR A 32 -3.047 3.819 -1.962 1.00 1.00 C ATOM 498 O THR A 32 -1.996 3.636 -2.574 1.00 1.00 O ATOM 499 CB THR A 32 -5.061 2.498 -2.764 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.014 1.495 -2.381 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.437 2.109 -4.093 1.00 1.00 C ATOM 0 H THR A 32 -5.622 3.091 -0.408 1.00 1.00 H new ATOM 0 HA THR A 32 -3.415 1.723 -1.627 1.00 1.00 H new ATOM 0 HB THR A 32 -5.552 3.463 -2.887 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.537 1.816 -1.617 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.218 2.015 -4.848 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.726 2.876 -4.400 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.919 1.156 -3.986 1.00 1.00 H new ATOM 509 N LEU A 33 -3.423 5.023 -1.509 1.00 1.00 N ATOM 510 CA LEU A 33 -2.585 6.225 -1.670 1.00 1.00 C ATOM 511 C LEU A 33 -1.244 5.982 -0.955 1.00 1.00 C ATOM 512 O LEU A 33 -0.176 6.275 -1.494 1.00 1.00 O ATOM 513 CB LEU A 33 -3.331 7.453 -1.092 1.00 1.00 C ATOM 514 CG LEU A 33 -2.743 8.864 -1.344 1.00 1.00 C ATOM 515 CD1 LEU A 33 -3.785 9.917 -0.987 1.00 1.00 C ATOM 516 CD2 LEU A 33 -1.482 9.124 -0.527 1.00 1.00 C ATOM 0 H LEU A 33 -4.305 5.193 -1.026 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.386 6.426 -2.723 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.346 7.441 -1.490 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.410 7.315 -0.014 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.476 8.920 -2.399 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -3.373 10.911 -1.164 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -4.671 9.776 -1.606 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -4.057 9.818 0.064 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -1.110 10.126 -0.740 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -1.713 9.041 0.535 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -0.720 8.391 -0.791 1.00 1.00 H new ATOM 528 N ARG A 34 -1.317 5.421 0.260 1.00 1.00 N ATOM 529 CA ARG A 34 -0.116 5.082 1.032 1.00 1.00 C ATOM 530 C ARG A 34 0.785 4.155 0.206 1.00 1.00 C ATOM 531 O ARG A 34 1.961 4.443 -0.015 1.00 1.00 O ATOM 532 CB ARG A 34 -0.475 4.356 2.339 1.00 1.00 C ATOM 533 CG ARG A 34 -1.283 5.169 3.342 1.00 1.00 C ATOM 534 CD ARG A 34 -1.615 4.324 4.580 1.00 1.00 C ATOM 535 NE ARG A 34 -2.403 5.054 5.589 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.807 4.542 6.734 1.00 1.00 C ATOM 537 NH1 ARG A 34 -2.502 3.325 7.064 1.00 1.00 N ATOM 538 NH2 ARG A 34 -3.518 5.265 7.547 1.00 1.00 N ATOM 0 H ARG A 34 -2.194 5.193 0.728 1.00 1.00 H new ATOM 0 HA ARG A 34 0.396 6.014 1.269 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.037 3.456 2.091 1.00 1.00 H new ATOM 0 HB3 ARG A 34 0.448 4.033 2.820 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -0.720 6.054 3.639 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -2.204 5.519 2.876 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.168 3.438 4.269 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.687 3.978 5.035 1.00 1.00 H new ATOM 0 HE ARG A 34 -2.653 6.022 5.387 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.942 2.751 6.434 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.822 2.942 7.954 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.761 6.224 7.297 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.833 4.874 8.435 1.00 1.00 H new ATOM 552 N ILE A 35 0.199 3.049 -0.261 1.00 1.00 N ATOM 553 CA ILE A 35 0.919 2.061 -1.070 1.00 1.00 C ATOM 554 C ILE A 35 1.521 2.697 -2.315 1.00 1.00 C ATOM 555 O ILE A 35 2.723 2.618 -2.559 1.00 1.00 O ATOM 556 CB ILE A 35 -0.013 0.919 -1.555 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.658 0.201 -0.373 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.753 -0.072 -2.426 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.668 -0.855 -0.777 1.00 1.00 C ATOM 0 H ILE A 35 -0.779 2.814 -0.091 1.00 1.00 H new ATOM 0 HA ILE A 35 1.699 1.662 -0.422 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.805 1.366 -2.156 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.123 -0.267 0.226 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.150 0.937 0.263 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.080 -0.864 -2.755 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.157 0.445 -3.296 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.570 -0.506 -1.850 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -2.084 -1.322 0.116 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.470 -0.391 -1.351 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -1.177 -1.613 -1.388 1.00 1.00 H new ATOM 571 N ASN A 36 0.668 3.374 -3.063 1.00 1.00 N ATOM 572 CA ASN A 36 1.050 3.991 -4.324 1.00 1.00 C ATOM 573 C ASN A 36 2.168 5.022 -4.178 1.00 1.00 C ATOM 574 O ASN A 36 3.174 4.952 -4.875 1.00 1.00 O ATOM 575 CB ASN A 36 -0.170 4.660 -4.962 1.00 1.00 C ATOM 576 CG ASN A 36 0.075 5.095 -6.393 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.814 4.460 -7.132 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.548 6.185 -6.797 1.00 1.00 N ATOM 0 H ASN A 36 -0.311 3.513 -2.814 1.00 1.00 H new ATOM 0 HA ASN A 36 1.431 3.191 -4.959 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.012 3.968 -4.937 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.454 5.528 -4.367 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.420 6.521 -7.751 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -1.158 6.692 -6.155 1.00 1.00 H new ATOM 585 N ARG A 37 2.024 5.940 -3.235 1.00 1.00 N ATOM 586 CA ARG A 37 3.016 7.002 -3.091 1.00 1.00 C ATOM 587 C ARG A 37 4.336 6.471 -2.560 1.00 1.00 C ATOM 588 O ARG A 37 5.407 6.872 -3.019 1.00 1.00 O ATOM 589 CB ARG A 37 2.517 8.116 -2.174 1.00 1.00 C ATOM 590 CG ARG A 37 3.411 9.347 -2.229 1.00 1.00 C ATOM 591 CD ARG A 37 2.987 10.420 -1.234 1.00 1.00 C ATOM 592 NE ARG A 37 3.210 10.015 0.162 1.00 1.00 N ATOM 593 CZ ARG A 37 4.151 10.490 0.946 1.00 1.00 C ATOM 594 NH1 ARG A 37 4.977 11.400 0.529 1.00 1.00 N ATOM 595 NH2 ARG A 37 4.259 10.038 2.159 1.00 1.00 N ATOM 0 H ARG A 37 1.251 5.976 -2.571 1.00 1.00 H new ATOM 0 HA ARG A 37 3.177 7.409 -4.089 1.00 1.00 H new ATOM 0 HB2 ARG A 37 1.502 8.393 -2.460 1.00 1.00 H new ATOM 0 HB3 ARG A 37 2.471 7.748 -1.149 1.00 1.00 H new ATOM 0 HG2 ARG A 37 4.441 9.054 -2.025 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.391 9.762 -3.237 1.00 1.00 H new ATOM 0 HD2 ARG A 37 3.541 11.337 -1.436 1.00 1.00 H new ATOM 0 HD3 ARG A 37 1.931 10.648 -1.378 1.00 1.00 H new ATOM 0 HE ARG A 37 2.585 9.310 0.552 1.00 1.00 H new ATOM 0 HH11 ARG A 37 4.902 11.759 -0.423 1.00 1.00 H new ATOM 0 HH12 ARG A 37 5.701 11.756 1.153 1.00 1.00 H new ATOM 0 HH21 ARG A 37 3.616 9.321 2.495 1.00 1.00 H new ATOM 0 HH22 ARG A 37 4.986 10.400 2.775 1.00 1.00 H new ATOM 609 N LEU A 38 4.270 5.551 -1.610 1.00 1.00 N ATOM 610 CA LEU A 38 5.476 5.014 -1.032 1.00 1.00 C ATOM 611 C LEU A 38 6.193 4.117 -2.033 1.00 1.00 C ATOM 612 O LEU A 38 7.412 4.157 -2.144 1.00 1.00 O ATOM 613 CB LEU A 38 5.165 4.286 0.269 1.00 1.00 C ATOM 614 CG LEU A 38 4.669 5.192 1.408 1.00 1.00 C ATOM 615 CD1 LEU A 38 4.436 4.383 2.673 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.659 6.319 1.680 1.00 1.00 C ATOM 0 H LEU A 38 3.403 5.169 -1.232 1.00 1.00 H new ATOM 0 HA LEU A 38 6.151 5.835 -0.791 1.00 1.00 H new ATOM 0 HB2 LEU A 38 4.409 3.525 0.072 1.00 1.00 H new ATOM 0 HB3 LEU A 38 6.063 3.765 0.602 1.00 1.00 H new ATOM 0 HG LEU A 38 3.723 5.634 1.096 1.00 1.00 H new ATOM 0 HD11 LEU A 38 4.085 5.042 3.467 1.00 1.00 H new ATOM 0 HD12 LEU A 38 3.686 3.615 2.481 1.00 1.00 H new ATOM 0 HD13 LEU A 38 5.369 3.910 2.980 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.284 6.945 2.490 1.00 1.00 H new ATOM 0 HD22 LEU A 38 6.623 5.896 1.964 1.00 1.00 H new ATOM 0 HD23 LEU A 38 5.779 6.923 0.780 1.00 1.00 H new ATOM 628 N SER A 39 5.440 3.328 -2.785 1.00 1.00 N ATOM 629 CA SER A 39 6.047 2.486 -3.808 1.00 1.00 C ATOM 630 C SER A 39 6.667 3.372 -4.898 1.00 1.00 C ATOM 631 O SER A 39 7.748 3.086 -5.402 1.00 1.00 O ATOM 632 CB SER A 39 5.011 1.542 -4.418 1.00 1.00 C ATOM 633 OG SER A 39 4.418 0.722 -3.423 1.00 1.00 O ATOM 0 H SER A 39 4.426 3.252 -2.710 1.00 1.00 H new ATOM 0 HA SER A 39 6.827 1.879 -3.348 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.239 2.122 -4.923 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.485 0.916 -5.174 1.00 1.00 H new ATOM 0 HG SER A 39 3.686 1.210 -2.990 1.00 1.00 H new ATOM 639 N GLU A 40 5.986 4.484 -5.213 1.00 1.00 N ATOM 640 CA GLU A 40 6.464 5.445 -6.221 1.00 1.00 C ATOM 641 C GLU A 40 7.782 6.048 -5.750 1.00 1.00 C ATOM 642 O GLU A 40 8.709 6.290 -6.530 1.00 1.00 O ATOM 643 CB GLU A 40 5.416 6.550 -6.428 1.00 1.00 C ATOM 644 CG GLU A 40 5.755 7.533 -7.539 1.00 1.00 C ATOM 645 CD GLU A 40 6.011 6.832 -8.862 1.00 1.00 C ATOM 646 OE1 GLU A 40 5.070 6.211 -9.411 1.00 1.00 O ATOM 647 OE2 GLU A 40 7.157 6.868 -9.346 1.00 1.00 O ATOM 0 H GLU A 40 5.098 4.742 -4.782 1.00 1.00 H new ATOM 0 HA GLU A 40 6.621 4.934 -7.171 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.455 6.086 -6.650 1.00 1.00 H new ATOM 0 HB3 GLU A 40 5.297 7.101 -5.495 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.936 8.242 -7.657 1.00 1.00 H new ATOM 0 HG3 GLU A 40 6.637 8.108 -7.257 1.00 1.00 H new ATOM 654 N HIS A 41 7.867 6.260 -4.441 1.00 1.00 N ATOM 655 CA HIS A 41 9.060 6.792 -3.841 1.00 1.00 C ATOM 656 C HIS A 41 10.193 5.771 -3.927 1.00 1.00 C ATOM 657 O HIS A 41 11.258 6.064 -4.464 1.00 1.00 O ATOM 658 CB HIS A 41 8.804 7.155 -2.379 1.00 1.00 C ATOM 659 CG HIS A 41 8.353 8.567 -2.184 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.920 9.433 -1.277 1.00 1.00 N ATOM 661 CD2 HIS A 41 7.370 9.268 -2.803 1.00 1.00 C ATOM 662 CE1 HIS A 41 8.280 10.606 -1.371 1.00 1.00 C ATOM 663 NE2 HIS A 41 7.329 10.558 -2.284 1.00 1.00 N ATOM 0 H HIS A 41 7.113 6.067 -3.782 1.00 1.00 H new ATOM 0 HA HIS A 41 9.348 7.692 -4.384 1.00 1.00 H new ATOM 0 HB2 HIS A 41 8.049 6.482 -1.973 1.00 1.00 H new ATOM 0 HB3 HIS A 41 9.718 6.992 -1.807 1.00 1.00 H new ATOM 0 HD2 HIS A 41 6.721 8.885 -3.577 1.00 1.00 H new ATOM 0 HE1 HIS A 41 8.512 11.477 -0.777 1.00 1.00 H new ATOM 0 HE2 HIS A 41 6.695 11.310 -2.553 1.00 1.00 H new ATOM 671 N LEU A 42 9.938 4.552 -3.451 1.00 1.00 N ATOM 672 CA LEU A 42 10.958 3.501 -3.453 1.00 1.00 C ATOM 673 C LEU A 42 11.391 3.067 -4.880 1.00 1.00 C ATOM 674 O LEU A 42 12.400 2.383 -5.026 1.00 1.00 O ATOM 675 CB LEU A 42 10.493 2.282 -2.640 1.00 1.00 C ATOM 676 CG LEU A 42 10.730 2.354 -1.115 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.912 3.463 -0.460 1.00 1.00 C ATOM 678 CD2 LEU A 42 10.405 1.015 -0.467 1.00 1.00 C ATOM 0 H LEU A 42 9.039 4.268 -3.061 1.00 1.00 H new ATOM 0 HA LEU A 42 11.838 3.935 -2.978 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.427 2.139 -2.815 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.001 1.398 -3.025 1.00 1.00 H new ATOM 0 HG LEU A 42 11.784 2.586 -0.961 1.00 1.00 H new ATOM 0 HD11 LEU A 42 10.110 3.477 0.612 1.00 1.00 H new ATOM 0 HD12 LEU A 42 10.190 4.424 -0.893 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.851 3.282 -0.631 1.00 1.00 H new ATOM 0 HD21 LEU A 42 10.576 1.080 0.608 1.00 1.00 H new ATOM 0 HD22 LEU A 42 9.361 0.764 -0.654 1.00 1.00 H new ATOM 0 HD23 LEU A 42 11.045 0.241 -0.891 1.00 1.00 H new ATOM 690 N LYS A 43 10.633 3.457 -5.925 1.00 1.00 N ATOM 691 CA LYS A 43 11.016 3.136 -7.324 1.00 1.00 C ATOM 692 C LYS A 43 12.327 3.825 -7.657 1.00 1.00 C ATOM 693 O LYS A 43 13.084 3.410 -8.538 1.00 1.00 O ATOM 694 CB LYS A 43 9.991 3.667 -8.327 1.00 1.00 C ATOM 695 CG LYS A 43 8.640 2.994 -8.299 1.00 1.00 C ATOM 696 CD LYS A 43 7.730 3.656 -9.318 1.00 1.00 C ATOM 697 CE LYS A 43 6.340 3.053 -9.356 1.00 1.00 C ATOM 698 NZ LYS A 43 5.474 3.774 -10.330 1.00 1.00 N ATOM 0 H LYS A 43 9.766 3.986 -5.835 1.00 1.00 H new ATOM 0 HA LYS A 43 11.085 2.050 -7.395 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.850 4.732 -8.145 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.406 3.567 -9.330 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.745 1.932 -8.523 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.204 3.068 -7.303 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.652 4.719 -9.090 1.00 1.00 H new ATOM 0 HD3 LYS A 43 8.182 3.574 -10.307 1.00 1.00 H new ATOM 0 HE2 LYS A 43 6.404 2.000 -9.630 1.00 1.00 H new ATOM 0 HE3 LYS A 43 5.893 3.098 -8.363 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 4.759 3.120 -10.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 4.999 4.567 -9.852 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.058 4.139 -11.110 1.00 1.00 H new ATOM 712 N VAL A 44 12.556 4.916 -6.950 1.00 1.00 N ATOM 713 CA VAL A 44 13.735 5.719 -7.126 1.00 1.00 C ATOM 714 C VAL A 44 14.599 5.668 -5.868 1.00 1.00 C ATOM 715 O VAL A 44 15.773 5.324 -5.913 1.00 1.00 O ATOM 716 CB VAL A 44 13.346 7.191 -7.400 1.00 1.00 C ATOM 717 CG1 VAL A 44 14.585 8.045 -7.589 1.00 1.00 C ATOM 718 CG2 VAL A 44 12.422 7.307 -8.608 1.00 1.00 C ATOM 0 H VAL A 44 11.920 5.266 -6.234 1.00 1.00 H new ATOM 0 HA VAL A 44 14.293 5.323 -7.974 1.00 1.00 H new ATOM 0 HB VAL A 44 12.802 7.559 -6.530 1.00 1.00 H new ATOM 0 HG11 VAL A 44 14.290 9.077 -7.781 1.00 1.00 H new ATOM 0 HG12 VAL A 44 15.196 8.004 -6.687 1.00 1.00 H new ATOM 0 HG13 VAL A 44 15.160 7.669 -8.435 1.00 1.00 H new ATOM 0 HG21 VAL A 44 12.168 8.354 -8.773 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.926 6.913 -9.491 1.00 1.00 H new ATOM 0 HG23 VAL A 44 11.511 6.737 -8.425 1.00 1.00 H new ATOM 728 N HIS A 45 13.957 5.951 -4.742 1.00 1.00 N ATOM 729 CA HIS A 45 14.615 6.012 -3.436 1.00 1.00 C ATOM 730 C HIS A 45 15.276 4.689 -3.006 1.00 1.00 C ATOM 731 O HIS A 45 16.435 4.665 -2.599 1.00 1.00 O ATOM 732 CB HIS A 45 13.578 6.417 -2.389 1.00 1.00 C ATOM 733 CG HIS A 45 13.209 7.867 -2.421 1.00 1.00 C ATOM 734 ND1 HIS A 45 12.216 8.389 -3.218 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.709 8.913 -1.716 1.00 1.00 C ATOM 736 CE1 HIS A 45 12.141 9.703 -2.978 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.025 10.072 -2.075 1.00 1.00 N ATOM 0 H HIS A 45 12.957 6.147 -4.705 1.00 1.00 H new ATOM 0 HA HIS A 45 15.419 6.743 -3.519 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.677 5.821 -2.536 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.963 6.173 -1.399 1.00 1.00 H new ATOM 0 HD1 HIS A 45 11.639 7.866 -3.876 1.00 1.00 H new ATOM 0 HD2 HIS A 45 14.509 8.856 -0.993 1.00 1.00 H new ATOM 0 HE1 HIS A 45 11.446 10.373 -3.462 1.00 1.00 H new ATOM 745 N LYS A 46 14.517 3.604 -3.108 1.00 1.00 N ATOM 746 CA LYS A 46 14.967 2.263 -2.708 1.00 1.00 C ATOM 747 C LYS A 46 15.321 2.154 -1.217 1.00 1.00 C ATOM 748 O LYS A 46 16.416 2.504 -0.782 1.00 1.00 O ATOM 749 CB LYS A 46 16.137 1.751 -3.562 1.00 1.00 C ATOM 750 CG LYS A 46 15.731 1.392 -4.985 1.00 1.00 C ATOM 751 CD LYS A 46 16.918 1.015 -5.881 1.00 1.00 C ATOM 752 CE LYS A 46 17.652 -0.256 -5.438 1.00 1.00 C ATOM 753 NZ LYS A 46 18.640 -0.014 -4.343 1.00 1.00 N ATOM 0 H LYS A 46 13.564 3.623 -3.472 1.00 1.00 H new ATOM 0 HA LYS A 46 14.103 1.623 -2.888 1.00 1.00 H new ATOM 0 HB2 LYS A 46 16.915 2.514 -3.595 1.00 1.00 H new ATOM 0 HB3 LYS A 46 16.571 0.873 -3.083 1.00 1.00 H new ATOM 0 HG2 LYS A 46 15.029 0.559 -4.955 1.00 1.00 H new ATOM 0 HG3 LYS A 46 15.204 2.237 -5.429 1.00 1.00 H new ATOM 0 HD2 LYS A 46 16.561 0.879 -6.902 1.00 1.00 H new ATOM 0 HD3 LYS A 46 17.625 1.844 -5.898 1.00 1.00 H new ATOM 0 HE2 LYS A 46 16.921 -0.992 -5.103 1.00 1.00 H new ATOM 0 HE3 LYS A 46 18.168 -0.687 -6.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 19.539 -0.483 -4.576 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 18.799 1.008 -4.239 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 18.270 -0.399 -3.451 1.00 1.00 H new ATOM 767 N LYS A 47 14.349 1.671 -0.450 1.00 1.00 N ATOM 768 CA LYS A 47 14.500 1.408 0.984 1.00 1.00 C ATOM 769 C LYS A 47 14.710 2.658 1.857 1.00 1.00 C ATOM 770 O LYS A 47 15.346 2.569 2.904 1.00 1.00 O ATOM 771 CB LYS A 47 15.631 0.396 1.230 1.00 1.00 C ATOM 772 CG LYS A 47 15.449 -0.937 0.504 1.00 1.00 C ATOM 773 CD LYS A 47 14.137 -1.617 0.874 1.00 1.00 C ATOM 774 CE LYS A 47 14.069 -3.038 0.333 1.00 1.00 C ATOM 775 NZ LYS A 47 15.054 -3.931 1.002 1.00 1.00 N ATOM 0 H LYS A 47 13.421 1.447 -0.808 1.00 1.00 H new ATOM 0 HA LYS A 47 13.542 0.993 1.297 1.00 1.00 H new ATOM 0 HB2 LYS A 47 16.576 0.841 0.917 1.00 1.00 H new ATOM 0 HB3 LYS A 47 15.707 0.206 2.301 1.00 1.00 H new ATOM 0 HG2 LYS A 47 15.479 -0.770 -0.573 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.281 -1.598 0.747 1.00 1.00 H new ATOM 0 HD2 LYS A 47 14.029 -1.635 1.959 1.00 1.00 H new ATOM 0 HD3 LYS A 47 13.302 -1.037 0.480 1.00 1.00 H new ATOM 0 HE2 LYS A 47 13.064 -3.434 0.476 1.00 1.00 H new ATOM 0 HE3 LYS A 47 14.258 -3.028 -0.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.796 -4.924 0.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 16.004 -3.749 0.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 15.052 -3.745 2.025 1.00 1.00 H new ATOM 789 N ASP A 48 14.183 3.813 1.452 1.00 1.00 N ATOM 790 CA ASP A 48 14.291 4.999 2.307 1.00 1.00 C ATOM 791 C ASP A 48 13.244 4.833 3.406 1.00 1.00 C ATOM 792 O ASP A 48 13.488 5.077 4.588 1.00 1.00 O ATOM 793 CB ASP A 48 14.117 6.297 1.514 1.00 1.00 C ATOM 794 CG ASP A 48 12.703 6.517 1.023 1.00 1.00 C ATOM 795 OD1 ASP A 48 12.168 5.623 0.327 1.00 1.00 O ATOM 796 OD2 ASP A 48 12.127 7.579 1.325 1.00 1.00 O ATOM 0 H ASP A 48 13.693 3.954 0.569 1.00 1.00 H new ATOM 0 HA ASP A 48 15.287 5.079 2.742 1.00 1.00 H new ATOM 0 HB2 ASP A 48 14.411 7.139 2.141 1.00 1.00 H new ATOM 0 HB3 ASP A 48 14.793 6.285 0.659 1.00 1.00 H new ATOM 801 N HIS A 49 12.062 4.413 2.989 1.00 1.00 N ATOM 802 CA HIS A 49 11.008 4.049 3.913 1.00 1.00 C ATOM 803 C HIS A 49 10.628 2.616 3.609 1.00 1.00 C ATOM 804 O HIS A 49 9.784 2.338 2.755 1.00 1.00 O ATOM 805 CB HIS A 49 9.775 4.940 3.847 1.00 1.00 C ATOM 806 CG HIS A 49 9.802 6.065 4.830 1.00 1.00 C ATOM 807 ND1 HIS A 49 9.484 5.930 6.168 1.00 1.00 N ATOM 808 CD2 HIS A 49 10.091 7.375 4.648 1.00 1.00 C ATOM 809 CE1 HIS A 49 9.580 7.138 6.735 1.00 1.00 C ATOM 810 NE2 HIS A 49 9.944 8.047 5.858 1.00 1.00 N ATOM 0 H HIS A 49 11.809 4.316 2.006 1.00 1.00 H new ATOM 0 HA HIS A 49 11.390 4.176 4.926 1.00 1.00 H new ATOM 0 HB2 HIS A 49 9.685 5.349 2.841 1.00 1.00 H new ATOM 0 HB3 HIS A 49 8.887 4.333 4.025 1.00 1.00 H new ATOM 0 HD2 HIS A 49 10.388 7.827 3.713 1.00 1.00 H new ATOM 0 HE1 HIS A 49 9.384 7.340 7.778 1.00 1.00 H new ATOM 0 HE2 HIS A 49 10.089 9.042 6.029 1.00 1.00 H new ATOM 818 N HIS A 50 11.298 1.695 4.275 1.00 1.00 N ATOM 819 CA HIS A 50 11.029 0.286 4.064 1.00 1.00 C ATOM 820 C HIS A 50 10.113 -0.228 5.154 1.00 1.00 C ATOM 821 O HIS A 50 10.074 -1.410 5.496 1.00 1.00 O ATOM 822 CB HIS A 50 12.314 -0.534 3.896 1.00 1.00 C ATOM 823 CG HIS A 50 13.380 -0.346 4.938 1.00 1.00 C ATOM 824 ND1 HIS A 50 13.898 -1.381 5.682 1.00 1.00 N ATOM 825 CD2 HIS A 50 14.087 0.761 5.298 1.00 1.00 C ATOM 826 CE1 HIS A 50 14.882 -0.892 6.446 1.00 1.00 C ATOM 827 NE2 HIS A 50 15.035 0.401 6.252 1.00 1.00 N ATOM 0 H HIS A 50 12.026 1.894 4.961 1.00 1.00 H new ATOM 0 HA HIS A 50 10.505 0.164 3.116 1.00 1.00 H new ATOM 0 HB2 HIS A 50 12.043 -1.589 3.874 1.00 1.00 H new ATOM 0 HB3 HIS A 50 12.744 -0.295 2.923 1.00 1.00 H new ATOM 0 HD2 HIS A 50 13.937 1.756 4.907 1.00 1.00 H new ATOM 0 HE1 HIS A 50 15.473 -1.481 7.132 1.00 1.00 H new ATOM 0 HE2 HIS A 50 15.711 1.014 6.708 1.00 1.00 H new ATOM 835 N SER A 51 9.392 0.729 5.704 1.00 1.00 N ATOM 836 CA SER A 51 8.373 0.494 6.695 1.00 1.00 C ATOM 837 C SER A 51 7.224 -0.250 6.005 1.00 1.00 C ATOM 838 O SER A 51 6.930 0.034 4.846 1.00 1.00 O ATOM 839 CB SER A 51 7.890 1.851 7.212 1.00 1.00 C ATOM 840 OG SER A 51 8.971 2.773 7.339 1.00 1.00 O ATOM 0 H SER A 51 9.505 1.714 5.465 1.00 1.00 H new ATOM 0 HA SER A 51 8.747 -0.096 7.532 1.00 1.00 H new ATOM 0 HB2 SER A 51 7.142 2.256 6.531 1.00 1.00 H new ATOM 0 HB3 SER A 51 7.404 1.722 8.179 1.00 1.00 H new ATOM 0 HG SER A 51 8.770 3.585 6.829 1.00 1.00 H new ATOM 846 N HIS A 52 6.543 -1.160 6.691 1.00 1.00 N ATOM 847 CA HIS A 52 5.450 -1.921 6.048 1.00 1.00 C ATOM 848 C HIS A 52 4.167 -1.089 5.948 1.00 1.00 C ATOM 849 O HIS A 52 3.066 -1.615 5.827 1.00 1.00 O ATOM 850 CB HIS A 52 5.195 -3.246 6.788 1.00 1.00 C ATOM 851 CG HIS A 52 4.867 -3.123 8.254 1.00 1.00 C ATOM 852 ND1 HIS A 52 5.650 -3.649 9.260 1.00 1.00 N ATOM 853 CD2 HIS A 52 3.799 -2.555 8.875 1.00 1.00 C ATOM 854 CE1 HIS A 52 5.048 -3.393 10.430 1.00 1.00 C ATOM 855 NE2 HIS A 52 3.925 -2.732 10.249 1.00 1.00 N ATOM 0 H HIS A 52 6.713 -1.394 7.669 1.00 1.00 H new ATOM 0 HA HIS A 52 5.765 -2.156 5.031 1.00 1.00 H new ATOM 0 HB2 HIS A 52 4.374 -3.765 6.293 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.079 -3.875 6.684 1.00 1.00 H new ATOM 0 HD2 HIS A 52 2.984 -2.048 8.381 1.00 1.00 H new ATOM 0 HE1 HIS A 52 5.434 -3.690 11.394 1.00 1.00 H new ATOM 0 HE2 HIS A 52 3.278 -2.414 10.970 1.00 1.00 H new ATOM 863 N ARG A 53 4.354 0.218 5.905 1.00 1.00 N ATOM 864 CA ARG A 53 3.269 1.186 5.862 1.00 1.00 C ATOM 865 C ARG A 53 2.604 1.257 4.480 1.00 1.00 C ATOM 866 O ARG A 53 1.439 1.626 4.367 1.00 1.00 O ATOM 867 CB ARG A 53 3.851 2.537 6.282 1.00 1.00 C ATOM 868 CG ARG A 53 2.853 3.659 6.484 1.00 1.00 C ATOM 869 CD ARG A 53 3.542 4.861 7.135 1.00 1.00 C ATOM 870 NE ARG A 53 4.143 4.496 8.429 1.00 1.00 N ATOM 871 CZ ARG A 53 5.284 4.956 8.907 1.00 1.00 C ATOM 872 NH1 ARG A 53 5.938 5.896 8.298 1.00 1.00 N ATOM 873 NH2 ARG A 53 5.746 4.474 10.017 1.00 1.00 N ATOM 0 H ARG A 53 5.280 0.646 5.899 1.00 1.00 H new ATOM 0 HA ARG A 53 2.475 0.884 6.545 1.00 1.00 H new ATOM 0 HB2 ARG A 53 4.404 2.398 7.211 1.00 1.00 H new ATOM 0 HB3 ARG A 53 4.571 2.850 5.526 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.423 3.951 5.526 1.00 1.00 H new ATOM 0 HG3 ARG A 53 2.030 3.317 7.112 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.314 5.246 6.468 1.00 1.00 H new ATOM 0 HD3 ARG A 53 2.818 5.663 7.281 1.00 1.00 H new ATOM 0 HE ARG A 53 3.632 3.829 9.007 1.00 1.00 H new ATOM 0 HH11 ARG A 53 5.572 6.294 7.433 1.00 1.00 H new ATOM 0 HH12 ARG A 53 6.818 6.238 8.684 1.00 1.00 H new ATOM 0 HH21 ARG A 53 5.229 3.747 10.512 1.00 1.00 H new ATOM 0 HH22 ARG A 53 6.627 4.821 10.396 1.00 1.00 H new ATOM 887 N GLY A 54 3.345 0.929 3.433 1.00 1.00 N ATOM 888 CA GLY A 54 2.752 0.951 2.107 1.00 1.00 C ATOM 889 C GLY A 54 3.542 0.184 1.068 1.00 1.00 C ATOM 890 O GLY A 54 3.387 0.416 -0.128 1.00 1.00 O ATOM 0 H GLY A 54 4.326 0.653 3.471 1.00 1.00 H new ATOM 0 HA2 GLY A 54 1.746 0.536 2.163 1.00 1.00 H new ATOM 0 HA3 GLY A 54 2.652 1.987 1.782 1.00 1.00 H new ATOM 894 N LEU A 55 4.395 -0.734 1.499 1.00 1.00 N ATOM 895 CA LEU A 55 5.152 -1.508 0.530 1.00 1.00 C ATOM 896 C LEU A 55 4.430 -2.823 0.160 1.00 1.00 C ATOM 897 O LEU A 55 3.248 -3.007 0.464 1.00 1.00 O ATOM 898 CB LEU A 55 6.628 -1.716 0.953 1.00 1.00 C ATOM 899 CG LEU A 55 6.947 -2.130 2.404 1.00 1.00 C ATOM 900 CD1 LEU A 55 6.352 -3.481 2.759 1.00 1.00 C ATOM 901 CD2 LEU A 55 8.462 -2.171 2.594 1.00 1.00 C ATOM 0 H LEU A 55 4.576 -0.956 2.478 1.00 1.00 H new ATOM 0 HA LEU A 55 5.199 -0.917 -0.385 1.00 1.00 H new ATOM 0 HB2 LEU A 55 7.053 -2.474 0.295 1.00 1.00 H new ATOM 0 HB3 LEU A 55 7.160 -0.786 0.753 1.00 1.00 H new ATOM 0 HG LEU A 55 6.499 -1.391 3.068 1.00 1.00 H new ATOM 0 HD11 LEU A 55 6.603 -3.730 3.790 1.00 1.00 H new ATOM 0 HD12 LEU A 55 5.268 -3.442 2.649 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.757 -4.243 2.093 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.692 -2.463 3.618 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.896 -2.895 1.904 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.880 -1.184 2.395 1.00 1.00 H new ATOM 913 N LEU A 56 5.162 -3.725 -0.483 1.00 1.00 N ATOM 914 CA LEU A 56 4.633 -5.014 -0.981 1.00 1.00 C ATOM 915 C LEU A 56 3.761 -5.777 0.034 1.00 1.00 C ATOM 916 O LEU A 56 2.814 -6.468 -0.344 1.00 1.00 O ATOM 917 CB LEU A 56 5.808 -5.880 -1.422 1.00 1.00 C ATOM 918 CG LEU A 56 6.622 -5.311 -2.588 1.00 1.00 C ATOM 919 CD1 LEU A 56 7.853 -6.161 -2.835 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.780 -5.228 -3.854 1.00 1.00 C ATOM 0 H LEU A 56 6.154 -3.591 -0.682 1.00 1.00 H new ATOM 0 HA LEU A 56 3.969 -4.787 -1.815 1.00 1.00 H new ATOM 0 HB2 LEU A 56 6.473 -6.027 -0.571 1.00 1.00 H new ATOM 0 HB3 LEU A 56 5.431 -6.863 -1.706 1.00 1.00 H new ATOM 0 HG LEU A 56 6.935 -4.302 -2.320 1.00 1.00 H new ATOM 0 HD11 LEU A 56 8.422 -5.745 -3.666 1.00 1.00 H new ATOM 0 HD12 LEU A 56 8.474 -6.171 -1.939 1.00 1.00 H new ATOM 0 HD13 LEU A 56 7.549 -7.179 -3.077 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.383 -4.821 -4.666 1.00 1.00 H new ATOM 0 HD22 LEU A 56 5.432 -6.225 -4.125 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.922 -4.579 -3.678 1.00 1.00 H new ATOM 932 N MET A 57 4.116 -5.674 1.307 1.00 1.00 N ATOM 933 CA MET A 57 3.366 -6.303 2.395 1.00 1.00 C ATOM 934 C MET A 57 1.891 -5.893 2.367 1.00 1.00 C ATOM 935 O MET A 57 1.000 -6.737 2.285 1.00 1.00 O ATOM 936 CB MET A 57 3.999 -5.872 3.730 1.00 1.00 C ATOM 937 CG MET A 57 3.362 -6.443 4.999 1.00 1.00 C ATOM 938 SD MET A 57 1.830 -5.614 5.482 1.00 1.00 S ATOM 939 CE MET A 57 1.445 -6.469 7.012 1.00 1.00 C ATOM 0 H MET A 57 4.934 -5.151 1.620 1.00 1.00 H new ATOM 0 HA MET A 57 3.410 -7.386 2.278 1.00 1.00 H new ATOM 0 HB2 MET A 57 5.051 -6.157 3.717 1.00 1.00 H new ATOM 0 HB3 MET A 57 3.964 -4.784 3.790 1.00 1.00 H new ATOM 0 HG2 MET A 57 3.158 -7.503 4.847 1.00 1.00 H new ATOM 0 HG3 MET A 57 4.078 -6.370 5.818 1.00 1.00 H new ATOM 0 HE1 MET A 57 0.523 -6.067 7.431 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.319 -7.533 6.812 1.00 1.00 H new ATOM 0 HE3 MET A 57 2.259 -6.327 7.723 1.00 1.00 H new ATOM 949 N MET A 58 1.639 -4.593 2.369 1.00 1.00 N ATOM 950 CA MET A 58 0.267 -4.113 2.405 1.00 1.00 C ATOM 951 C MET A 58 -0.425 -4.241 1.042 1.00 1.00 C ATOM 952 O MET A 58 -1.641 -4.402 0.983 1.00 1.00 O ATOM 953 CB MET A 58 0.182 -2.688 2.948 1.00 1.00 C ATOM 954 CG MET A 58 -1.221 -2.353 3.431 1.00 1.00 C ATOM 955 SD MET A 58 -1.339 -0.774 4.297 1.00 1.00 S ATOM 956 CE MET A 58 -1.166 0.388 2.949 1.00 1.00 C ATOM 0 H MET A 58 2.352 -3.864 2.347 1.00 1.00 H new ATOM 0 HA MET A 58 -0.275 -4.757 3.097 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.888 -2.569 3.770 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.477 -1.984 2.170 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.895 -2.338 2.575 1.00 1.00 H new ATOM 0 HG3 MET A 58 -1.565 -3.147 4.094 1.00 1.00 H new ATOM 0 HE1 MET A 58 -1.059 1.396 3.349 1.00 1.00 H new ATOM 0 HE2 MET A 58 -0.283 0.135 2.362 1.00 1.00 H new ATOM 0 HE3 MET A 58 -2.050 0.342 2.313 1.00 1.00 H new ATOM 966 N VAL A 59 0.334 -4.183 -0.056 1.00 1.00 N ATOM 967 CA VAL A 59 -0.270 -4.367 -1.377 1.00 1.00 C ATOM 968 C VAL A 59 -0.757 -5.815 -1.469 1.00 1.00 C ATOM 969 O VAL A 59 -1.767 -6.118 -2.111 1.00 1.00 O ATOM 970 CB VAL A 59 0.693 -4.005 -2.542 1.00 1.00 C ATOM 971 CG1 VAL A 59 1.653 -5.137 -2.896 1.00 1.00 C ATOM 972 CG2 VAL A 59 -0.100 -3.572 -3.769 1.00 1.00 C ATOM 0 H VAL A 59 1.340 -4.015 -0.059 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.107 -3.678 -1.486 1.00 1.00 H new ATOM 0 HB VAL A 59 1.308 -3.174 -2.196 1.00 1.00 H new ATOM 0 HG11 VAL A 59 2.299 -4.823 -3.716 1.00 1.00 H new ATOM 0 HG12 VAL A 59 2.263 -5.382 -2.027 1.00 1.00 H new ATOM 0 HG13 VAL A 59 1.084 -6.016 -3.199 1.00 1.00 H new ATOM 0 HG21 VAL A 59 0.588 -3.322 -4.577 1.00 1.00 H new ATOM 0 HG22 VAL A 59 -0.752 -4.386 -4.087 1.00 1.00 H new ATOM 0 HG23 VAL A 59 -0.704 -2.699 -3.522 1.00 1.00 H new ATOM 982 N GLY A 60 -0.033 -6.699 -0.780 1.00 1.00 N ATOM 983 CA GLY A 60 -0.419 -8.083 -0.694 1.00 1.00 C ATOM 984 C GLY A 60 -1.753 -8.224 0.020 1.00 1.00 C ATOM 985 O GLY A 60 -2.637 -8.942 -0.439 1.00 1.00 O ATOM 0 H GLY A 60 0.824 -6.467 -0.277 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -0.489 -8.509 -1.695 1.00 1.00 H new ATOM 0 HA3 GLY A 60 0.346 -8.647 -0.161 1.00 1.00 H new ATOM 989 N GLN A 61 -1.922 -7.514 1.141 1.00 1.00 N ATOM 990 CA GLN A 61 -3.193 -7.581 1.868 1.00 1.00 C ATOM 991 C GLN A 61 -4.259 -6.718 1.185 1.00 1.00 C ATOM 992 O GLN A 61 -5.429 -6.746 1.560 1.00 1.00 O ATOM 993 CB GLN A 61 -3.038 -7.206 3.337 1.00 1.00 C ATOM 994 CG GLN A 61 -2.314 -8.277 4.128 1.00 1.00 C ATOM 995 CD GLN A 61 -2.349 -8.026 5.617 1.00 1.00 C ATOM 996 OE1 GLN A 61 -3.272 -7.417 6.136 1.00 1.00 O ATOM 997 NE2 GLN A 61 -1.345 -8.501 6.322 1.00 1.00 N ATOM 0 H GLN A 61 -1.217 -6.904 1.555 1.00 1.00 H new ATOM 0 HA GLN A 61 -3.525 -8.619 1.841 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.490 -6.267 3.415 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -4.023 -7.038 3.773 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -2.765 -9.246 3.916 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -1.277 -8.329 3.797 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -0.590 -9.005 5.858 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -1.322 -8.365 7.333 1.00 1.00 H new ATOM 1006 N ARG A 62 -3.837 -5.943 0.183 1.00 1.00 N ATOM 1007 CA ARG A 62 -4.752 -5.144 -0.608 1.00 1.00 C ATOM 1008 C ARG A 62 -5.317 -6.073 -1.680 1.00 1.00 C ATOM 1009 O ARG A 62 -6.459 -5.951 -2.116 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.018 -3.944 -1.228 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.919 -2.822 -1.754 1.00 1.00 C ATOM 1012 CD ARG A 62 -5.697 -3.213 -3.017 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.827 -3.457 -4.180 1.00 1.00 N ATOM 1014 CZ ARG A 62 -4.943 -4.463 -5.021 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -5.841 -5.387 -4.843 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -4.151 -4.542 -6.044 1.00 1.00 N ATOM 0 H ARG A 62 -2.859 -5.858 -0.094 1.00 1.00 H new ATOM 0 HA ARG A 62 -5.556 -4.731 0.001 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -3.345 -3.526 -0.480 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.398 -4.304 -2.049 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.625 -2.536 -0.974 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -4.308 -1.945 -1.968 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -6.281 -4.110 -2.813 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -6.405 -2.421 -3.260 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.072 -2.792 -4.348 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -6.470 -5.339 -4.041 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -5.916 -6.159 -5.505 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.441 -3.826 -6.195 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -4.238 -5.320 -6.698 1.00 1.00 H new ATOM 1030 N ARG A 63 -4.486 -7.029 -2.094 1.00 1.00 N ATOM 1031 CA ARG A 63 -4.899 -8.027 -3.065 1.00 1.00 C ATOM 1032 C ARG A 63 -5.915 -8.971 -2.418 1.00 1.00 C ATOM 1033 O ARG A 63 -6.896 -9.363 -3.035 1.00 1.00 O ATOM 1034 CB ARG A 63 -3.693 -8.818 -3.579 1.00 1.00 C ATOM 1035 CG ARG A 63 -2.743 -7.992 -4.434 1.00 1.00 C ATOM 1036 CD ARG A 63 -1.524 -8.800 -4.883 1.00 1.00 C ATOM 1037 NE ARG A 63 -1.898 -9.994 -5.654 1.00 1.00 N ATOM 1038 CZ ARG A 63 -1.101 -10.650 -6.459 1.00 1.00 C ATOM 1039 NH1 ARG A 63 0.134 -10.278 -6.631 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -1.549 -11.693 -7.089 1.00 1.00 N ATOM 0 H ARG A 63 -3.524 -7.129 -1.769 1.00 1.00 H new ATOM 0 HA ARG A 63 -5.359 -7.524 -3.916 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -3.145 -9.222 -2.728 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -4.048 -9.668 -4.162 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -3.274 -7.621 -5.310 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -2.412 -7.121 -3.869 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -0.875 -8.168 -5.489 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -0.948 -9.101 -4.008 1.00 1.00 H new ATOM 0 HE ARG A 63 -2.853 -10.338 -5.554 1.00 1.00 H new ATOM 0 HH11 ARG A 63 0.495 -9.463 -6.135 1.00 1.00 H new ATOM 0 HH12 ARG A 63 0.741 -10.801 -7.262 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -2.514 -11.994 -6.955 1.00 1.00 H new ATOM 0 HH22 ARG A 63 -0.936 -12.211 -7.718 1.00 1.00 H new ATOM 1054 N ARG A 64 -5.680 -9.305 -1.152 1.00 1.00 N ATOM 1055 CA ARG A 64 -6.586 -10.187 -0.410 1.00 1.00 C ATOM 1056 C ARG A 64 -7.659 -9.374 0.333 1.00 1.00 C ATOM 1057 O ARG A 64 -8.488 -9.934 1.050 1.00 1.00 O ATOM 1058 CB ARG A 64 -5.807 -11.016 0.616 1.00 1.00 C ATOM 1059 CG ARG A 64 -4.560 -11.692 0.070 1.00 1.00 C ATOM 1060 CD ARG A 64 -3.958 -12.670 1.084 1.00 1.00 C ATOM 1061 NE ARG A 64 -3.790 -12.097 2.436 1.00 1.00 N ATOM 1062 CZ ARG A 64 -2.673 -12.131 3.135 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -1.546 -12.451 2.577 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -2.687 -11.785 4.388 1.00 1.00 N ATOM 0 H ARG A 64 -4.874 -8.981 -0.617 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.066 -10.846 -1.134 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -5.520 -10.368 1.444 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -6.469 -11.780 1.024 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -4.807 -12.225 -0.848 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -3.820 -10.935 -0.190 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -4.597 -13.551 1.149 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -2.988 -13.007 0.719 1.00 1.00 H new ATOM 0 HE ARG A 64 -4.598 -11.641 2.860 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -1.516 -12.681 1.584 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -0.690 -12.473 3.132 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -3.560 -11.489 4.826 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -1.825 -11.810 4.934 1.00 1.00 H new ATOM 1078 N LEU A 65 -7.657 -8.062 0.113 1.00 1.00 N ATOM 1079 CA LEU A 65 -8.575 -7.130 0.783 1.00 1.00 C ATOM 1080 C LEU A 65 -10.045 -7.437 0.480 1.00 1.00 C ATOM 1081 O LEU A 65 -10.932 -7.146 1.287 1.00 1.00 O ATOM 1082 CB LEU A 65 -8.218 -5.706 0.346 1.00 1.00 C ATOM 1083 CG LEU A 65 -8.879 -4.547 1.100 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -8.405 -4.491 2.544 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -8.560 -3.237 0.394 1.00 1.00 C ATOM 0 H LEU A 65 -7.017 -7.608 -0.538 1.00 1.00 H new ATOM 0 HA LEU A 65 -8.458 -7.239 1.861 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -7.138 -5.589 0.430 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.468 -5.606 -0.710 1.00 1.00 H new ATOM 0 HG LEU A 65 -9.957 -4.707 1.107 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -8.890 -3.659 3.054 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -8.660 -5.424 3.047 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -7.324 -4.350 2.567 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.030 -2.412 0.929 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -7.480 -3.089 0.373 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.941 -3.271 -0.627 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.301 -8.048 -0.673 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.665 -8.397 -1.059 1.00 1.00 C ATOM 1099 C LEU A 66 -12.274 -9.403 -0.084 1.00 1.00 C ATOM 1100 O LEU A 66 -13.481 -9.399 0.148 1.00 1.00 O ATOM 1101 CB LEU A 66 -11.733 -8.974 -2.492 1.00 1.00 C ATOM 1102 CG LEU A 66 -11.236 -10.424 -2.700 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -11.624 -10.921 -4.088 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.730 -10.536 -2.532 1.00 1.00 C ATOM 0 H LEU A 66 -9.587 -8.310 -1.353 1.00 1.00 H new ATOM 0 HA LEU A 66 -12.239 -7.471 -1.031 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -12.769 -8.922 -2.827 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -11.153 -8.322 -3.145 1.00 1.00 H new ATOM 0 HG LEU A 66 -11.712 -11.040 -1.937 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -11.268 -11.943 -4.221 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -12.709 -10.898 -4.193 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -11.173 -10.278 -4.844 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -9.423 -11.570 -2.686 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -9.234 -9.897 -3.263 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -9.452 -10.221 -1.526 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.413 -10.209 0.529 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.849 -11.261 1.448 1.00 1.00 C ATOM 1118 C ARG A 67 -12.470 -10.693 2.721 1.00 1.00 C ATOM 1119 O ARG A 67 -13.291 -11.342 3.362 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.677 -12.184 1.777 1.00 1.00 C ATOM 1121 CG ARG A 67 -10.077 -12.847 0.545 1.00 1.00 C ATOM 1122 CD ARG A 67 -8.864 -13.713 0.889 1.00 1.00 C ATOM 1123 NE ARG A 67 -9.213 -14.852 1.755 1.00 1.00 N ATOM 1124 CZ ARG A 67 -8.341 -15.619 2.377 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -7.071 -15.398 2.279 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -8.758 -16.609 3.101 1.00 1.00 N ATOM 0 H ARG A 67 -10.402 -10.155 0.406 1.00 1.00 H new ATOM 0 HA ARG A 67 -12.628 -11.837 0.949 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -9.903 -11.611 2.288 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -11.013 -12.955 2.470 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -10.835 -13.462 0.060 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -9.783 -12.080 -0.171 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -8.414 -14.085 -0.032 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -8.113 -13.099 1.386 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.203 -15.063 1.883 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -6.731 -14.620 1.714 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -6.409 -16.001 2.767 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -9.758 -16.792 3.188 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -8.087 -17.206 3.584 1.00 1.00 H new ATOM 1140 N TYR A 68 -12.074 -9.492 3.093 1.00 1.00 N ATOM 1141 CA TYR A 68 -12.660 -8.864 4.267 1.00 1.00 C ATOM 1142 C TYR A 68 -13.871 -8.044 3.858 1.00 1.00 C ATOM 1143 O TYR A 68 -14.991 -8.262 4.310 1.00 1.00 O ATOM 1144 CB TYR A 68 -11.725 -7.853 4.941 1.00 1.00 C ATOM 1145 CG TYR A 68 -10.268 -8.210 5.076 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -9.803 -9.017 6.107 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -9.344 -7.669 4.197 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -8.451 -9.272 6.253 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -7.998 -7.927 4.328 1.00 1.00 C ATOM 1150 CZ TYR A 68 -7.553 -8.724 5.355 1.00 1.00 C ATOM 1151 OH TYR A 68 -6.204 -8.961 5.490 1.00 1.00 O ATOM 0 H TYR A 68 -11.364 -8.939 2.613 1.00 1.00 H new ATOM 0 HA TYR A 68 -12.890 -9.684 4.947 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -11.788 -6.918 4.384 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.113 -7.655 5.940 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -10.506 -9.451 6.803 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -9.686 -7.033 3.394 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -8.099 -9.895 7.062 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -7.294 -7.504 3.626 1.00 1.00 H new ATOM 0 HH TYR A 68 -5.718 -8.501 4.774 1.00 1.00 H new ATOM 1161 N LEU A 69 -13.618 -7.161 2.906 1.00 1.00 N ATOM 1162 CA LEU A 69 -14.586 -6.159 2.475 1.00 1.00 C ATOM 1163 C LEU A 69 -15.851 -6.684 1.760 1.00 1.00 C ATOM 1164 O LEU A 69 -16.944 -6.245 2.081 1.00 1.00 O ATOM 1165 CB LEU A 69 -13.896 -5.123 1.584 1.00 1.00 C ATOM 1166 CG LEU A 69 -12.620 -4.469 2.142 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -12.141 -3.388 1.187 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -12.851 -3.878 3.527 1.00 1.00 C ATOM 0 H LEU A 69 -12.730 -7.117 2.406 1.00 1.00 H new ATOM 0 HA LEU A 69 -14.953 -5.725 3.405 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.646 -5.602 0.637 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.614 -4.333 1.363 1.00 1.00 H new ATOM 0 HG LEU A 69 -11.857 -5.242 2.236 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -11.237 -2.926 1.584 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -11.925 -3.831 0.215 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -12.917 -2.631 1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -11.928 -3.425 3.888 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.631 -3.118 3.473 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.160 -4.667 4.212 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.719 -7.627 0.819 1.00 1.00 N ATOM 1181 CA GLN A 70 -16.896 -8.115 0.053 1.00 1.00 C ATOM 1182 C GLN A 70 -18.021 -8.567 0.972 1.00 1.00 C ATOM 1183 O GLN A 70 -19.204 -8.379 0.684 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.497 -9.273 -0.860 1.00 1.00 C ATOM 1185 CG GLN A 70 -17.645 -9.808 -1.709 1.00 1.00 C ATOM 1186 CD GLN A 70 -17.283 -11.078 -2.461 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -18.135 -11.899 -2.761 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -16.013 -11.248 -2.773 1.00 1.00 N ATOM 0 H GLN A 70 -14.834 -8.066 0.566 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.256 -7.279 -0.547 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.693 -8.945 -1.518 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -16.099 -10.084 -0.250 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -18.504 -10.004 -1.067 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.949 -9.043 -2.423 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -15.324 -10.544 -2.508 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.720 -12.084 -3.279 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.615 -9.176 2.065 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.524 -9.662 3.086 1.00 1.00 C ATOM 1199 C ARG A 71 -19.434 -8.562 3.605 1.00 1.00 C ATOM 1200 O ARG A 71 -20.651 -8.709 3.666 1.00 1.00 O ATOM 1201 CB ARG A 71 -17.715 -10.163 4.282 1.00 1.00 C ATOM 1202 CG ARG A 71 -18.592 -10.636 5.434 1.00 1.00 C ATOM 1203 CD ARG A 71 -17.836 -10.721 6.759 1.00 1.00 C ATOM 1204 NE ARG A 71 -18.689 -11.264 7.830 1.00 1.00 N ATOM 1205 CZ ARG A 71 -19.025 -10.632 8.936 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -18.585 -9.437 9.193 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -19.817 -11.216 9.785 1.00 1.00 N ATOM 0 H ARG A 71 -16.632 -9.351 2.274 1.00 1.00 H new ATOM 0 HA ARG A 71 -19.124 -10.451 2.633 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.072 -10.982 3.962 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.062 -9.364 4.633 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.436 -9.955 5.546 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -19.003 -11.616 5.192 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.956 -11.352 6.638 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.481 -9.730 7.042 1.00 1.00 H new ATOM 0 HE ARG A 71 -19.050 -12.210 7.705 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -17.966 -8.968 8.532 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.859 -8.967 10.056 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -20.171 -12.153 9.591 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -20.085 -10.737 10.645 1.00 1.00 H new ATOM 1221 N GLU A 72 -18.824 -7.448 3.947 1.00 1.00 N ATOM 1222 CA GLU A 72 -19.553 -6.345 4.549 1.00 1.00 C ATOM 1223 C GLU A 72 -19.979 -5.308 3.522 1.00 1.00 C ATOM 1224 O GLU A 72 -20.557 -4.273 3.862 1.00 1.00 O ATOM 1225 CB GLU A 72 -18.716 -5.740 5.660 1.00 1.00 C ATOM 1226 CG GLU A 72 -18.383 -6.753 6.742 1.00 1.00 C ATOM 1227 CD GLU A 72 -17.681 -6.138 7.928 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -18.373 -5.579 8.804 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -16.440 -6.237 7.994 1.00 1.00 O ATOM 0 H GLU A 72 -17.826 -7.279 3.820 1.00 1.00 H new ATOM 0 HA GLU A 72 -20.479 -6.730 4.977 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -17.792 -5.341 5.241 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -19.254 -4.901 6.102 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -19.302 -7.232 7.079 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -17.753 -7.535 6.319 1.00 1.00 H new ATOM 1236 N ASP A 73 -19.706 -5.604 2.264 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.117 -4.748 1.175 1.00 1.00 C ATOM 1238 C ASP A 73 -20.040 -5.472 -0.170 1.00 1.00 C ATOM 1239 O ASP A 73 -19.016 -5.477 -0.853 1.00 1.00 O ATOM 1240 CB ASP A 73 -19.413 -3.367 1.135 1.00 1.00 C ATOM 1241 CG ASP A 73 -17.887 -3.362 1.138 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -17.280 -3.693 0.093 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -17.295 -2.937 2.147 1.00 1.00 O ATOM 0 H ASP A 73 -19.197 -6.439 1.974 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.163 -4.516 1.376 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -19.751 -2.841 0.242 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -19.754 -2.789 1.994 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.137 -6.153 -0.550 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.223 -6.836 -1.840 1.00 1.00 C ATOM 1250 C PRO A 74 -21.341 -5.796 -2.947 1.00 1.00 C ATOM 1251 O PRO A 74 -20.877 -5.985 -4.073 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.507 -7.671 -1.739 1.00 1.00 C ATOM 1253 CG PRO A 74 -22.909 -7.625 -0.300 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.359 -6.337 0.246 1.00 1.00 C ATOM 0 HA PRO A 74 -20.353 -7.452 -2.065 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -23.290 -7.263 -2.377 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -22.333 -8.697 -2.064 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -23.994 -7.660 -0.197 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -22.509 -8.481 0.244 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.057 -5.510 0.116 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.143 -6.407 1.312 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.961 -4.676 -2.588 1.00 1.00 N ATOM 1263 CA GLU A 75 -22.133 -3.552 -3.488 1.00 1.00 C ATOM 1264 C GLU A 75 -20.782 -2.905 -3.748 1.00 1.00 C ATOM 1265 O GLU A 75 -20.375 -2.732 -4.892 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.084 -2.534 -2.859 1.00 1.00 C ATOM 1267 CG GLU A 75 -23.193 -1.221 -3.616 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.106 -0.242 -2.913 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.894 -0.016 -1.698 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -25.022 0.299 -3.565 1.00 1.00 O ATOM 0 H GLU A 75 -22.358 -4.527 -1.660 1.00 1.00 H new ATOM 0 HA GLU A 75 -22.555 -3.899 -4.431 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -24.076 -2.980 -2.786 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -22.752 -2.326 -1.842 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -22.202 -0.780 -3.724 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -23.569 -1.411 -4.621 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.059 -2.581 -2.674 1.00 1.00 N ATOM 1278 CA ARG A 76 -18.754 -1.961 -2.842 1.00 1.00 C ATOM 1279 C ARG A 76 -17.723 -2.965 -3.379 1.00 1.00 C ATOM 1280 O ARG A 76 -16.693 -2.561 -3.899 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.251 -1.265 -1.580 1.00 1.00 C ATOM 1282 CG ARG A 76 -18.643 0.211 -1.490 1.00 1.00 C ATOM 1283 CD ARG A 76 -20.154 0.478 -1.428 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.380 1.909 -1.188 1.00 1.00 N ATOM 1285 CZ ARG A 76 -21.311 2.421 -0.432 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -22.444 1.810 -0.228 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.140 3.621 0.024 1.00 1.00 N ATOM 0 H ARG A 76 -20.348 -2.734 -1.708 1.00 1.00 H new ATOM 0 HA ARG A 76 -18.884 -1.176 -3.587 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -18.642 -1.789 -0.707 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -17.165 -1.346 -1.540 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -18.176 0.642 -0.604 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -18.232 0.734 -2.353 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -20.628 0.174 -2.361 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.608 -0.113 -0.632 1.00 1.00 H new ATOM 0 HE ARG A 76 -19.751 2.562 -1.655 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -22.622 0.906 -0.665 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -23.153 2.236 0.369 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -20.294 4.140 -0.211 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -21.852 4.047 0.618 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.963 -4.270 -3.207 1.00 1.00 N ATOM 1302 CA TYR A 77 -17.084 -5.267 -3.838 1.00 1.00 C ATOM 1303 C TYR A 77 -17.039 -4.944 -5.319 1.00 1.00 C ATOM 1304 O TYR A 77 -15.999 -4.600 -5.889 1.00 1.00 O ATOM 1305 CB TYR A 77 -17.667 -6.686 -3.704 1.00 1.00 C ATOM 1306 CG TYR A 77 -16.878 -7.730 -4.467 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -15.552 -7.972 -4.149 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -17.459 -8.485 -5.488 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -14.813 -8.913 -4.836 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -16.722 -9.429 -6.181 1.00 1.00 C ATOM 1311 CZ TYR A 77 -15.405 -9.647 -5.841 1.00 1.00 C ATOM 1312 OH TYR A 77 -14.668 -10.586 -6.522 1.00 1.00 O ATOM 0 H TYR A 77 -18.731 -4.654 -2.656 1.00 1.00 H new ATOM 0 HA TYR A 77 -16.104 -5.235 -3.361 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -17.697 -6.961 -2.650 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -18.696 -6.684 -4.062 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -15.088 -7.414 -3.349 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -18.498 -8.330 -5.740 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -13.774 -9.074 -4.587 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -17.176 -9.991 -6.983 1.00 1.00 H new ATOM 0 HH TYR A 77 -15.232 -11.017 -7.198 1.00 1.00 H new ATOM 1322 N ARG A 78 -18.240 -4.990 -5.892 1.00 1.00 N ATOM 1323 CA ARG A 78 -18.484 -4.740 -7.288 1.00 1.00 C ATOM 1324 C ARG A 78 -18.159 -3.305 -7.683 1.00 1.00 C ATOM 1325 O ARG A 78 -17.712 -3.050 -8.792 1.00 1.00 O ATOM 1326 CB ARG A 78 -19.959 -5.007 -7.582 1.00 1.00 C ATOM 1327 CG ARG A 78 -20.400 -6.447 -7.349 1.00 1.00 C ATOM 1328 CD ARG A 78 -21.911 -6.598 -7.562 1.00 1.00 C ATOM 1329 NE ARG A 78 -22.383 -7.991 -7.447 1.00 1.00 N ATOM 1330 CZ ARG A 78 -23.622 -8.370 -7.674 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -24.536 -7.500 -7.967 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -23.944 -9.629 -7.593 1.00 1.00 N ATOM 0 H ARG A 78 -19.089 -5.210 -5.371 1.00 1.00 H new ATOM 0 HA ARG A 78 -17.836 -5.400 -7.865 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -20.565 -4.350 -6.959 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -20.163 -4.741 -8.619 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.865 -7.110 -8.029 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -20.139 -6.752 -6.335 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -22.437 -5.983 -6.832 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -22.171 -6.214 -8.548 1.00 1.00 H new ATOM 0 HE ARG A 78 -21.707 -8.704 -7.175 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -24.298 -6.510 -8.024 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -25.494 -7.805 -8.141 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -23.235 -10.322 -7.353 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -24.905 -9.922 -7.769 1.00 1.00 H new ATOM 1346 N ALA A 79 -18.366 -2.363 -6.783 1.00 1.00 N ATOM 1347 CA ALA A 79 -18.106 -0.982 -7.136 1.00 1.00 C ATOM 1348 C ALA A 79 -16.628 -0.616 -7.044 1.00 1.00 C ATOM 1349 O ALA A 79 -16.157 0.208 -7.815 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.971 -0.028 -6.344 1.00 1.00 C ATOM 0 H ALA A 79 -18.702 -2.520 -5.833 1.00 1.00 H new ATOM 0 HA ALA A 79 -18.381 -0.878 -8.185 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.746 0.997 -6.638 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -20.022 -0.240 -6.542 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -18.770 -0.153 -5.280 1.00 1.00 H new ATOM 1356 N LEU A 80 -15.867 -1.210 -6.135 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.462 -0.864 -6.105 1.00 1.00 C ATOM 1358 C LEU A 80 -13.711 -1.649 -7.177 1.00 1.00 C ATOM 1359 O LEU A 80 -12.600 -1.290 -7.556 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.826 -1.033 -4.728 1.00 1.00 C ATOM 1361 CG LEU A 80 -14.344 -0.057 -3.660 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.538 -0.191 -2.379 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -14.298 1.386 -4.158 1.00 1.00 C ATOM 0 H LEU A 80 -16.179 -1.895 -5.447 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.386 0.201 -6.326 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.000 -2.053 -4.385 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -12.747 -0.908 -4.823 1.00 1.00 H new ATOM 0 HG LEU A 80 -15.383 -0.313 -3.454 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.919 0.508 -1.634 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.625 -1.209 -1.999 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -12.491 0.032 -2.583 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -14.671 2.052 -3.380 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.270 1.654 -4.403 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -14.920 1.484 -5.048 1.00 1.00 H new ATOM 1375 N ILE A 81 -14.317 -2.709 -7.701 1.00 1.00 N ATOM 1376 CA ILE A 81 -13.656 -3.437 -8.761 1.00 1.00 C ATOM 1377 C ILE A 81 -13.860 -2.677 -10.068 1.00 1.00 C ATOM 1378 O ILE A 81 -12.934 -2.474 -10.845 1.00 1.00 O ATOM 1379 CB ILE A 81 -14.092 -4.930 -8.867 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -13.504 -5.585 -10.100 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -15.588 -5.135 -8.885 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -13.039 -6.991 -9.829 1.00 1.00 C ATOM 0 H ILE A 81 -15.229 -3.068 -7.419 1.00 1.00 H new ATOM 0 HA ILE A 81 -12.593 -3.491 -8.527 1.00 1.00 H new ATOM 0 HB ILE A 81 -13.706 -5.396 -7.960 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.251 -5.598 -10.894 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -12.665 -4.990 -10.461 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -15.808 -6.200 -8.960 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -16.021 -4.739 -7.966 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -16.016 -4.614 -9.741 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -12.625 -7.420 -10.742 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -12.272 -6.978 -9.054 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.882 -7.595 -9.494 1.00 1.00 H new ATOM 1394 N GLU A 82 -15.061 -2.174 -10.251 1.00 1.00 N ATOM 1395 CA GLU A 82 -15.397 -1.392 -11.429 1.00 1.00 C ATOM 1396 C GLU A 82 -14.792 0.026 -11.341 1.00 1.00 C ATOM 1397 O GLU A 82 -14.671 0.733 -12.336 1.00 1.00 O ATOM 1398 CB GLU A 82 -16.918 -1.354 -11.552 1.00 1.00 C ATOM 1399 CG GLU A 82 -17.446 -0.725 -12.824 1.00 1.00 C ATOM 1400 CD GLU A 82 -18.948 -0.882 -12.939 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -19.398 -1.929 -13.454 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -19.676 0.034 -12.501 1.00 1.00 O ATOM 0 H GLU A 82 -15.832 -2.292 -9.593 1.00 1.00 H new ATOM 0 HA GLU A 82 -14.973 -1.852 -12.322 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -17.298 -2.374 -11.485 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -17.322 -0.807 -10.700 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -17.187 0.334 -12.842 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -16.964 -1.186 -13.686 1.00 1.00 H new ATOM 1409 N LYS A 83 -14.404 0.438 -10.143 1.00 1.00 N ATOM 1410 CA LYS A 83 -13.799 1.760 -9.968 1.00 1.00 C ATOM 1411 C LYS A 83 -12.264 1.718 -9.931 1.00 1.00 C ATOM 1412 O LYS A 83 -11.597 2.388 -10.714 1.00 1.00 O ATOM 1413 CB LYS A 83 -14.297 2.408 -8.676 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.695 3.783 -8.409 1.00 1.00 C ATOM 1415 CD LYS A 83 -13.997 4.765 -9.534 1.00 1.00 C ATOM 1416 CE LYS A 83 -15.485 5.072 -9.640 1.00 1.00 C ATOM 1417 NZ LYS A 83 -15.822 5.753 -10.923 1.00 1.00 N ATOM 0 H LYS A 83 -14.493 -0.110 -9.287 1.00 1.00 H new ATOM 0 HA LYS A 83 -14.101 2.346 -10.836 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -15.382 2.499 -8.720 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -14.066 1.751 -7.838 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -14.087 4.175 -7.470 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -12.616 3.689 -8.289 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -13.447 5.691 -9.364 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -13.644 4.353 -10.479 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -16.053 4.145 -9.561 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -15.786 5.703 -8.804 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -16.844 5.945 -10.956 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -15.299 6.650 -10.988 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -15.559 5.140 -11.721 1.00 1.00 H new ATOM 1431 N LEU A 84 -11.712 0.912 -9.039 1.00 1.00 N ATOM 1432 CA LEU A 84 -10.257 0.866 -8.854 1.00 1.00 C ATOM 1433 C LEU A 84 -9.567 -0.262 -9.628 1.00 1.00 C ATOM 1434 O LEU A 84 -8.426 -0.130 -10.047 1.00 1.00 O ATOM 1435 CB LEU A 84 -9.947 0.708 -7.360 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.515 1.791 -6.431 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -10.209 1.457 -4.979 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.950 3.159 -6.784 1.00 1.00 C ATOM 0 H LEU A 84 -12.238 0.283 -8.433 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.864 1.802 -9.251 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -10.328 -0.259 -7.032 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -8.864 0.683 -7.236 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.596 1.821 -6.566 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.618 2.234 -4.333 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.660 0.498 -4.723 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -9.130 1.399 -4.839 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.367 3.909 -6.112 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.865 3.142 -6.680 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -10.213 3.407 -7.812 1.00 1.00 H new ATOM 1450 N GLY A 85 -10.266 -1.345 -9.832 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.689 -2.506 -10.500 1.00 1.00 C ATOM 1452 C GLY A 85 -10.291 -3.734 -9.892 1.00 1.00 C ATOM 1453 O GLY A 85 -10.725 -4.658 -10.572 1.00 1.00 O ATOM 0 H GLY A 85 -11.239 -1.459 -9.549 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.893 -2.471 -11.570 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -8.605 -2.514 -10.382 1.00 1.00 H new ATOM 1457 N ILE A 86 -10.241 -3.760 -8.582 1.00 1.00 N ATOM 1458 CA ILE A 86 -10.902 -4.799 -7.821 1.00 1.00 C ATOM 1459 C ILE A 86 -11.192 -4.270 -6.408 1.00 1.00 C ATOM 1460 O ILE A 86 -12.342 -4.173 -5.972 1.00 1.00 O ATOM 1461 CB ILE A 86 -10.088 -6.115 -7.840 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -10.710 -7.136 -6.894 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -8.601 -5.892 -7.580 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -10.021 -8.472 -6.973 1.00 1.00 C ATOM 0 H ILE A 86 -9.747 -3.070 -8.016 1.00 1.00 H new ATOM 0 HA ILE A 86 -11.857 -5.054 -8.280 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.139 -6.525 -8.849 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -10.658 -6.761 -5.872 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -11.766 -7.258 -7.136 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -8.080 -6.849 -7.605 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -8.192 -5.236 -8.348 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.468 -5.432 -6.601 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -10.497 -9.168 -6.282 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -10.096 -8.860 -7.989 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.971 -8.356 -6.705 1.00 1.00 H new ATOM 1476 N ARG A 87 -10.146 -3.923 -5.692 1.00 1.00 N ATOM 1477 CA ARG A 87 -10.238 -3.289 -4.374 1.00 1.00 C ATOM 1478 C ARG A 87 -9.189 -2.208 -4.344 1.00 1.00 C ATOM 1479 O ARG A 87 -8.952 -1.512 -3.347 1.00 1.00 O ATOM 1480 CB ARG A 87 -10.060 -4.322 -3.313 1.00 1.00 C ATOM 1481 CG ARG A 87 -11.310 -5.137 -3.042 1.00 1.00 C ATOM 1482 CD ARG A 87 -12.523 -4.262 -2.653 1.00 1.00 C ATOM 1483 NE ARG A 87 -13.692 -5.068 -2.247 1.00 1.00 N ATOM 1484 CZ ARG A 87 -14.732 -4.599 -1.560 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -14.787 -3.376 -1.190 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -15.694 -5.378 -1.213 1.00 1.00 N ATOM 0 H ARG A 87 -9.187 -4.071 -6.005 1.00 1.00 H new ATOM 0 HA ARG A 87 -11.212 -2.837 -4.188 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -9.254 -4.995 -3.605 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -9.748 -3.833 -2.390 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -11.558 -5.720 -3.929 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -11.108 -5.847 -2.240 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -12.241 -3.598 -1.836 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -12.797 -3.629 -3.497 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.704 -6.053 -2.511 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -14.025 -2.739 -1.420 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -15.593 -3.038 -0.665 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -15.666 -6.366 -1.464 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -16.486 -5.008 -0.687 1.00 1.00 H new ATOM 1500 N GLY A 88 -8.542 -2.285 -5.476 1.00 1.00 N ATOM 1501 CA GLY A 88 -7.550 -1.368 -6.015 1.00 1.00 C ATOM 1502 C GLY A 88 -6.699 -2.128 -6.993 1.00 1.00 C ATOM 1503 O GLY A 88 -5.462 -1.801 -7.025 1.00 1.00 O ATOM 1504 OXT GLY A 88 -7.219 -3.072 -7.607 1.00 1.00 O ATOM 0 H GLY A 88 -8.706 -3.065 -6.113 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -8.037 -0.526 -6.507 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -6.936 -0.957 -5.214 1.00 1.00 H new