USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 964 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 56 MET CE :methyl 176:sc= -0.782 (180deg=-0.808) USER MOD Set 1.2: A 123 MET CE :methyl 148:sc= -3.49 (180deg=-4.42!) USER MOD Set 1.3: A 133 TYR OH : rot 80:sc= -0.696 USER MOD Set 2.1: A 87 GLN : amide:sc= -4.69! C(o=-8.8!,f=-5.8!) USER MOD Set 2.2: A 91 GLN : amide:sc= -4.11! C(o=-8.8!,f=-5.8!) USER MOD Set 3.1: A 33 SER OG : rot -116:sc= 1.25 USER MOD Set 3.2: A 75 HIS : no HD1:sc= -0.232 X(o=1,f=0.8) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= 0.784 K(o=0.78,f=-6.8!) USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0.78 (180deg=-0.0696) USER MOD Single : A 35 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.5) USER MOD Single : A 37 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -136:sc= 0.161 USER MOD Single : A 47 SER OG : rot 140:sc= 0.186 USER MOD Single : A 51 MET CE :methyl 156:sc= -0.219 (180deg=-1.38!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.4!) USER MOD Single : A 59 GLN : amide:sc= -0.0054 K(o=-0.0054,f=-1.1) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 63 SER OG : rot -63:sc= -0.596 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.66) USER MOD Single : A 73 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.39) USER MOD Single : A 76 MET CE :methyl -153:sc=-6.11e-05 (180deg=-0.518) USER MOD Single : A 83 GLN : amide:sc= 0.942 K(o=0.94,f=-0.51) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.656 K(o=-0.66,f=-5.7!) USER MOD Single : A 86 HIS : no HE2:sc= -0.768 K(o=-0.77,f=-2.4!) USER MOD Single : A 93 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= -0.393 (180deg=-1.5!) USER MOD Single : A 95 ASN : amide:sc= -2.19! K(o=-2.2!,f=-1) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0614 K(o=-0.061,f=-1.9!) USER MOD Single : A 102 TYR OH : rot 130:sc= -2.77! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.0639 K(o=-0.064,f=-1.8!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 SER OG : rot 79:sc= 0.0378 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 308 N LEU A 21 131.640 14.963 1.721 1.00 1.00 N ATOM 309 CA LEU A 21 130.193 15.005 1.946 1.00 1.00 C ATOM 310 C LEU A 21 129.795 14.011 3.029 1.00 1.00 C ATOM 311 O LEU A 21 130.317 12.901 3.106 1.00 1.00 O ATOM 312 CB LEU A 21 129.447 14.657 0.654 1.00 1.00 C ATOM 313 CG LEU A 21 127.930 14.869 0.834 1.00 1.00 C ATOM 314 CD1 LEU A 21 127.591 16.369 0.846 1.00 1.00 C ATOM 315 CD2 LEU A 21 127.187 14.196 -0.321 1.00 1.00 C ATOM 0 HA LEU A 21 129.927 16.013 2.263 1.00 1.00 H new ATOM 0 HB2 LEU A 21 129.813 15.279 -0.163 1.00 1.00 H new ATOM 0 HB3 LEU A 21 129.646 13.621 0.380 1.00 1.00 H new ATOM 0 HG LEU A 21 127.625 14.431 1.785 1.00 1.00 H new ATOM 0 HD11 LEU A 21 126.516 16.498 0.974 1.00 1.00 H new ATOM 0 HD12 LEU A 21 128.115 16.854 1.669 1.00 1.00 H new ATOM 0 HD13 LEU A 21 127.901 16.820 -0.097 1.00 1.00 H new ATOM 0 HD21 LEU A 21 126.114 14.343 -0.198 1.00 1.00 H new ATOM 0 HD22 LEU A 21 127.508 14.636 -1.265 1.00 1.00 H new ATOM 0 HD23 LEU A 21 127.409 13.129 -0.324 1.00 1.00 H new ATOM 327 N GLN A 22 128.842 14.434 3.850 1.00 1.00 N ATOM 328 CA GLN A 22 128.340 13.586 4.922 1.00 1.00 C ATOM 329 C GLN A 22 126.957 13.045 4.559 1.00 1.00 C ATOM 330 O GLN A 22 125.967 13.779 4.569 1.00 1.00 O ATOM 331 CB GLN A 22 128.273 14.393 6.217 1.00 1.00 C ATOM 332 CG GLN A 22 129.689 14.843 6.572 1.00 1.00 C ATOM 333 CD GLN A 22 129.666 15.774 7.782 1.00 1.00 C ATOM 334 OE1 GLN A 22 128.632 15.926 8.429 1.00 1.00 O ATOM 335 NE2 GLN A 22 130.753 16.419 8.115 1.00 1.00 N ATOM 0 H GLN A 22 128.404 15.353 3.794 1.00 1.00 H new ATOM 0 HA GLN A 22 129.014 12.741 5.062 1.00 1.00 H new ATOM 0 HB2 GLN A 22 127.619 15.256 6.094 1.00 1.00 H new ATOM 0 HB3 GLN A 22 127.854 13.788 7.021 1.00 1.00 H new ATOM 0 HG2 GLN A 22 130.310 13.973 6.786 1.00 1.00 H new ATOM 0 HG3 GLN A 22 130.139 15.354 5.721 1.00 1.00 H new ATOM 0 HE21 GLN A 22 131.609 16.289 7.575 1.00 1.00 H new ATOM 0 HE22 GLN A 22 130.746 17.052 8.915 1.00 1.00 H new ATOM 344 N TRP A 23 126.900 11.750 4.253 1.00 1.00 N ATOM 345 CA TRP A 23 125.630 11.113 3.905 1.00 1.00 C ATOM 346 C TRP A 23 124.860 10.776 5.176 1.00 1.00 C ATOM 347 O TRP A 23 125.428 10.317 6.167 1.00 1.00 O ATOM 348 CB TRP A 23 125.885 9.827 3.117 1.00 1.00 C ATOM 349 CG TRP A 23 126.962 10.066 2.113 1.00 1.00 C ATOM 350 CD1 TRP A 23 126.949 11.041 1.178 1.00 1.00 C ATOM 351 CD2 TRP A 23 128.213 9.341 1.932 1.00 1.00 C ATOM 352 NE1 TRP A 23 128.113 10.960 0.435 1.00 1.00 N ATOM 353 CE2 TRP A 23 128.921 9.930 0.862 1.00 1.00 C ATOM 354 CE3 TRP A 23 128.796 8.239 2.585 1.00 1.00 C ATOM 355 CZ2 TRP A 23 130.161 9.452 0.450 1.00 1.00 C ATOM 356 CZ3 TRP A 23 130.051 7.751 2.172 1.00 1.00 C ATOM 357 CH2 TRP A 23 130.730 8.358 1.107 1.00 1.00 C ATOM 0 H TRP A 23 127.708 11.127 4.239 1.00 1.00 H new ATOM 0 HA TRP A 23 125.048 11.802 3.293 1.00 1.00 H new ATOM 0 HB2 TRP A 23 126.176 9.024 3.794 1.00 1.00 H new ATOM 0 HB3 TRP A 23 124.971 9.507 2.617 1.00 1.00 H new ATOM 0 HD1 TRP A 23 126.160 11.764 1.034 1.00 1.00 H new ATOM 0 HE1 TRP A 23 128.345 11.587 -0.335 1.00 1.00 H new ATOM 0 HE3 TRP A 23 128.279 7.765 3.406 1.00 1.00 H new ATOM 0 HZ2 TRP A 23 130.680 9.923 -0.372 1.00 1.00 H new ATOM 0 HZ3 TRP A 23 130.492 6.905 2.678 1.00 1.00 H new ATOM 0 HH2 TRP A 23 131.692 7.981 0.794 1.00 1.00 H new ATOM 368 N GLU A 24 123.551 10.990 5.112 1.00 1.00 N ATOM 369 CA GLU A 24 122.668 10.693 6.233 1.00 1.00 C ATOM 370 C GLU A 24 121.583 9.721 5.776 1.00 1.00 C ATOM 371 O GLU A 24 121.403 9.505 4.576 1.00 1.00 O ATOM 372 CB GLU A 24 122.021 11.979 6.744 1.00 1.00 C ATOM 373 CG GLU A 24 123.088 12.885 7.360 1.00 1.00 C ATOM 374 CD GLU A 24 122.458 14.204 7.785 1.00 1.00 C ATOM 375 OE1 GLU A 24 121.260 14.347 7.606 1.00 1.00 O ATOM 376 OE2 GLU A 24 123.176 15.051 8.285 1.00 1.00 O ATOM 0 H GLU A 24 123.077 11.369 4.293 1.00 1.00 H new ATOM 0 HA GLU A 24 123.248 10.244 7.039 1.00 1.00 H new ATOM 0 HB2 GLU A 24 121.520 12.496 5.925 1.00 1.00 H new ATOM 0 HB3 GLU A 24 121.258 11.743 7.486 1.00 1.00 H new ATOM 0 HG2 GLU A 24 123.543 12.394 8.220 1.00 1.00 H new ATOM 0 HG3 GLU A 24 123.885 13.067 6.639 1.00 1.00 H new ATOM 383 N SER A 25 120.858 9.136 6.730 1.00 1.00 N ATOM 384 CA SER A 25 119.798 8.202 6.391 1.00 1.00 C ATOM 385 C SER A 25 118.521 8.963 6.096 1.00 1.00 C ATOM 386 O SER A 25 118.363 10.113 6.508 1.00 1.00 O ATOM 387 CB SER A 25 119.557 7.219 7.535 1.00 1.00 C ATOM 388 OG SER A 25 120.433 6.109 7.399 1.00 1.00 O ATOM 0 H SER A 25 120.987 9.293 7.730 1.00 1.00 H new ATOM 0 HA SER A 25 120.102 7.640 5.508 1.00 1.00 H new ATOM 0 HB2 SER A 25 119.723 7.712 8.493 1.00 1.00 H new ATOM 0 HB3 SER A 25 118.521 6.881 7.526 1.00 1.00 H new ATOM 0 HG SER A 25 120.280 5.479 8.134 1.00 1.00 H new ATOM 394 N TYR A 26 117.608 8.316 5.399 1.00 1.00 N ATOM 395 CA TYR A 26 116.346 8.939 5.074 1.00 1.00 C ATOM 396 C TYR A 26 115.614 9.315 6.348 1.00 1.00 C ATOM 397 O TYR A 26 115.051 10.408 6.467 1.00 1.00 O ATOM 398 CB TYR A 26 115.481 7.977 4.263 1.00 1.00 C ATOM 399 CG TYR A 26 114.060 8.485 4.230 1.00 1.00 C ATOM 400 CD1 TYR A 26 113.675 9.472 3.315 1.00 1.00 C ATOM 401 CD2 TYR A 26 113.121 7.951 5.119 1.00 1.00 C ATOM 402 CE1 TYR A 26 112.347 9.922 3.290 1.00 1.00 C ATOM 403 CE2 TYR A 26 111.795 8.401 5.096 1.00 1.00 C ATOM 404 CZ TYR A 26 111.407 9.385 4.178 1.00 1.00 C ATOM 405 OH TYR A 26 110.099 9.826 4.153 1.00 1.00 O ATOM 0 H TYR A 26 117.718 7.364 5.050 1.00 1.00 H new ATOM 0 HA TYR A 26 116.539 9.836 4.485 1.00 1.00 H new ATOM 0 HB2 TYR A 26 115.870 7.888 3.249 1.00 1.00 H new ATOM 0 HB3 TYR A 26 115.513 6.981 4.705 1.00 1.00 H new ATOM 0 HD1 TYR A 26 114.399 9.886 2.629 1.00 1.00 H new ATOM 0 HD2 TYR A 26 113.419 7.190 5.825 1.00 1.00 H new ATOM 0 HE1 TYR A 26 112.049 10.684 2.585 1.00 1.00 H new ATOM 0 HE2 TYR A 26 111.072 7.990 5.785 1.00 1.00 H new ATOM 0 HH TYR A 26 109.580 9.349 4.834 1.00 1.00 H new ATOM 415 N ALA A 27 115.633 8.386 7.297 1.00 1.00 N ATOM 416 CA ALA A 27 114.973 8.602 8.568 1.00 1.00 C ATOM 417 C ALA A 27 115.681 9.672 9.367 1.00 1.00 C ATOM 418 O ALA A 27 115.041 10.494 10.018 1.00 1.00 O ATOM 419 CB ALA A 27 114.937 7.305 9.382 1.00 1.00 C ATOM 0 H ALA A 27 116.097 7.482 7.206 1.00 1.00 H new ATOM 0 HA ALA A 27 113.954 8.928 8.361 1.00 1.00 H new ATOM 0 HB1 ALA A 27 114.438 7.486 10.334 1.00 1.00 H new ATOM 0 HB2 ALA A 27 114.393 6.542 8.826 1.00 1.00 H new ATOM 0 HB3 ALA A 27 115.955 6.963 9.566 1.00 1.00 H new ATOM 425 N GLU A 28 117.000 9.645 9.324 1.00 1.00 N ATOM 426 CA GLU A 28 117.809 10.597 10.059 1.00 1.00 C ATOM 427 C GLU A 28 117.639 12.003 9.502 1.00 1.00 C ATOM 428 O GLU A 28 117.572 12.975 10.254 1.00 1.00 O ATOM 429 CB GLU A 28 119.269 10.168 9.977 1.00 1.00 C ATOM 430 CG GLU A 28 119.467 8.904 10.826 1.00 1.00 C ATOM 431 CD GLU A 28 120.889 8.371 10.674 1.00 1.00 C ATOM 432 OE1 GLU A 28 121.647 8.958 9.920 1.00 1.00 O ATOM 433 OE2 GLU A 28 121.196 7.375 11.309 1.00 1.00 O ATOM 0 H GLU A 28 117.537 8.968 8.783 1.00 1.00 H new ATOM 0 HA GLU A 28 117.485 10.613 11.100 1.00 1.00 H new ATOM 0 HB2 GLU A 28 119.546 9.973 8.941 1.00 1.00 H new ATOM 0 HB3 GLU A 28 119.917 10.968 10.336 1.00 1.00 H new ATOM 0 HG2 GLU A 28 119.267 9.128 11.874 1.00 1.00 H new ATOM 0 HG3 GLU A 28 118.752 8.140 10.522 1.00 1.00 H new ATOM 440 N ALA A 29 117.564 12.106 8.186 1.00 1.00 N ATOM 441 CA ALA A 29 117.400 13.392 7.533 1.00 1.00 C ATOM 442 C ALA A 29 116.142 14.107 7.979 1.00 1.00 C ATOM 443 O ALA A 29 116.143 15.312 8.231 1.00 1.00 O ATOM 444 CB ALA A 29 117.264 13.167 6.035 1.00 1.00 C ATOM 0 H ALA A 29 117.614 11.312 7.548 1.00 1.00 H new ATOM 0 HA ALA A 29 118.269 13.997 7.792 1.00 1.00 H new ATOM 0 HB1 ALA A 29 117.140 14.126 5.533 1.00 1.00 H new ATOM 0 HB2 ALA A 29 118.160 12.673 5.658 1.00 1.00 H new ATOM 0 HB3 ALA A 29 116.394 12.540 5.839 1.00 1.00 H new ATOM 450 N LEU A 30 115.066 13.359 8.027 1.00 1.00 N ATOM 451 CA LEU A 30 113.783 13.910 8.385 1.00 1.00 C ATOM 452 C LEU A 30 113.743 14.453 9.799 1.00 1.00 C ATOM 453 O LEU A 30 113.150 15.505 10.044 1.00 1.00 O ATOM 454 CB LEU A 30 112.738 12.828 8.220 1.00 1.00 C ATOM 455 CG LEU A 30 112.375 12.715 6.741 1.00 1.00 C ATOM 456 CD1 LEU A 30 111.853 11.312 6.466 1.00 1.00 C ATOM 457 CD2 LEU A 30 111.274 13.722 6.370 1.00 1.00 C ATOM 0 H LEU A 30 115.055 12.360 7.821 1.00 1.00 H new ATOM 0 HA LEU A 30 113.585 14.755 7.726 1.00 1.00 H new ATOM 0 HB2 LEU A 30 113.119 11.876 8.589 1.00 1.00 H new ATOM 0 HB3 LEU A 30 111.852 13.066 8.809 1.00 1.00 H new ATOM 0 HG LEU A 30 113.266 12.924 6.148 1.00 1.00 H new ATOM 0 HD11 LEU A 30 111.591 11.221 5.412 1.00 1.00 H new ATOM 0 HD12 LEU A 30 112.624 10.582 6.712 1.00 1.00 H new ATOM 0 HD13 LEU A 30 110.969 11.126 7.077 1.00 1.00 H new ATOM 0 HD21 LEU A 30 111.032 13.623 5.312 1.00 1.00 H new ATOM 0 HD22 LEU A 30 110.383 13.523 6.966 1.00 1.00 H new ATOM 0 HD23 LEU A 30 111.625 14.735 6.569 1.00 1.00 H new ATOM 469 N GLU A 31 114.341 13.736 10.739 1.00 1.00 N ATOM 470 CA GLU A 31 114.303 14.199 12.105 1.00 1.00 C ATOM 471 C GLU A 31 115.078 15.493 12.246 1.00 1.00 C ATOM 472 O GLU A 31 114.658 16.410 12.945 1.00 1.00 O ATOM 473 CB GLU A 31 114.887 13.179 13.081 1.00 1.00 C ATOM 474 CG GLU A 31 114.958 11.823 12.418 1.00 1.00 C ATOM 475 CD GLU A 31 115.256 10.746 13.457 1.00 1.00 C ATOM 476 OE1 GLU A 31 115.592 11.106 14.573 1.00 1.00 O ATOM 477 OE2 GLU A 31 115.140 9.578 13.122 1.00 1.00 O ATOM 0 H GLU A 31 114.841 12.861 10.583 1.00 1.00 H new ATOM 0 HA GLU A 31 113.252 14.352 12.350 1.00 1.00 H new ATOM 0 HB2 GLU A 31 115.882 13.492 13.398 1.00 1.00 H new ATOM 0 HB3 GLU A 31 114.270 13.124 13.978 1.00 1.00 H new ATOM 0 HG2 GLU A 31 114.015 11.605 11.917 1.00 1.00 H new ATOM 0 HG3 GLU A 31 115.733 11.824 11.652 1.00 1.00 H new ATOM 484 N HIS A 32 116.215 15.562 11.556 1.00 1.00 N ATOM 485 CA HIS A 32 117.031 16.760 11.612 1.00 1.00 C ATOM 486 C HIS A 32 116.322 17.933 10.933 1.00 1.00 C ATOM 487 O HIS A 32 116.304 19.047 11.456 1.00 1.00 O ATOM 488 CB HIS A 32 118.384 16.541 10.928 1.00 1.00 C ATOM 489 CG HIS A 32 119.254 15.627 11.751 1.00 1.00 C ATOM 490 ND1 HIS A 32 119.294 14.259 11.537 1.00 1.00 N ATOM 491 CD2 HIS A 32 120.160 15.877 12.753 1.00 1.00 C ATOM 492 CE1 HIS A 32 120.198 13.741 12.388 1.00 1.00 C ATOM 493 NE2 HIS A 32 120.756 14.684 13.151 1.00 1.00 N ATOM 0 H HIS A 32 116.582 14.816 10.965 1.00 1.00 H new ATOM 0 HA HIS A 32 117.193 16.989 12.665 1.00 1.00 H new ATOM 0 HB2 HIS A 32 118.231 16.112 9.938 1.00 1.00 H new ATOM 0 HB3 HIS A 32 118.885 17.499 10.787 1.00 1.00 H new ATOM 0 HD1 HIS A 32 118.739 13.739 10.858 1.00 1.00 H new ATOM 0 HD2 HIS A 32 120.377 16.850 13.168 1.00 1.00 H new ATOM 0 HE1 HIS A 32 120.443 12.691 12.447 1.00 1.00 H new ATOM 501 N SER A 33 115.765 17.683 9.746 1.00 1.00 N ATOM 502 CA SER A 33 115.086 18.722 8.980 1.00 1.00 C ATOM 503 C SER A 33 113.876 19.235 9.717 1.00 1.00 C ATOM 504 O SER A 33 113.560 20.418 9.669 1.00 1.00 O ATOM 505 CB SER A 33 114.669 18.164 7.626 1.00 1.00 C ATOM 506 OG SER A 33 115.842 17.918 6.885 1.00 1.00 O ATOM 0 H SER A 33 115.773 16.767 9.297 1.00 1.00 H new ATOM 0 HA SER A 33 115.775 19.555 8.839 1.00 1.00 H new ATOM 0 HB2 SER A 33 114.096 17.245 7.751 1.00 1.00 H new ATOM 0 HB3 SER A 33 114.027 18.872 7.102 1.00 1.00 H new ATOM 0 HG SER A 33 115.860 18.502 6.098 1.00 1.00 H new ATOM 512 N LYS A 34 113.212 18.344 10.419 1.00 1.00 N ATOM 513 CA LYS A 34 112.053 18.726 11.179 1.00 1.00 C ATOM 514 C LYS A 34 112.477 19.740 12.225 1.00 1.00 C ATOM 515 O LYS A 34 111.687 20.579 12.656 1.00 1.00 O ATOM 516 CB LYS A 34 111.408 17.479 11.773 1.00 1.00 C ATOM 517 CG LYS A 34 110.644 16.793 10.635 1.00 1.00 C ATOM 518 CD LYS A 34 110.343 15.335 10.973 1.00 1.00 C ATOM 519 CE LYS A 34 109.833 14.626 9.711 1.00 1.00 C ATOM 520 NZ LYS A 34 108.442 15.077 9.418 1.00 1.00 N ATOM 0 H LYS A 34 113.457 17.355 10.477 1.00 1.00 H new ATOM 0 HA LYS A 34 111.298 19.200 10.552 1.00 1.00 H new ATOM 0 HB2 LYS A 34 112.164 16.813 12.188 1.00 1.00 H new ATOM 0 HB3 LYS A 34 110.734 17.743 12.588 1.00 1.00 H new ATOM 0 HG2 LYS A 34 109.712 17.325 10.447 1.00 1.00 H new ATOM 0 HG3 LYS A 34 111.231 16.843 9.718 1.00 1.00 H new ATOM 0 HD2 LYS A 34 111.241 14.842 11.346 1.00 1.00 H new ATOM 0 HD3 LYS A 34 109.596 15.278 11.765 1.00 1.00 H new ATOM 0 HE2 LYS A 34 110.485 14.849 8.866 1.00 1.00 H new ATOM 0 HE3 LYS A 34 109.854 13.546 9.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 107.816 14.249 9.351 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 108.111 15.701 10.182 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 108.428 15.596 8.517 1.00 1.00 H new ATOM 534 N GLN A 35 113.734 19.631 12.650 1.00 1.00 N ATOM 535 CA GLN A 35 114.254 20.529 13.684 1.00 1.00 C ATOM 536 C GLN A 35 115.005 21.692 13.078 1.00 1.00 C ATOM 537 O GLN A 35 114.899 22.828 13.544 1.00 1.00 O ATOM 538 CB GLN A 35 115.206 19.774 14.600 1.00 1.00 C ATOM 539 CG GLN A 35 114.465 18.595 15.195 1.00 1.00 C ATOM 540 CD GLN A 35 113.401 19.066 16.177 1.00 1.00 C ATOM 541 OE1 GLN A 35 113.663 19.920 17.024 1.00 1.00 O ATOM 542 NE2 GLN A 35 112.203 18.550 16.115 1.00 1.00 N ATOM 0 H GLN A 35 114.403 18.943 12.303 1.00 1.00 H new ATOM 0 HA GLN A 35 113.400 20.907 14.246 1.00 1.00 H new ATOM 0 HB2 GLN A 35 116.077 19.431 14.042 1.00 1.00 H new ATOM 0 HB3 GLN A 35 115.572 20.430 15.390 1.00 1.00 H new ATOM 0 HG2 GLN A 35 114.000 18.013 14.399 1.00 1.00 H new ATOM 0 HG3 GLN A 35 115.169 17.936 15.703 1.00 1.00 H new ATOM 0 HE21 GLN A 35 111.988 17.843 15.412 1.00 1.00 H new ATOM 0 HE22 GLN A 35 111.482 18.854 16.769 1.00 1.00 H new ATOM 551 N ASP A 36 115.802 21.399 12.070 1.00 1.00 N ATOM 552 CA ASP A 36 116.622 22.420 11.428 1.00 1.00 C ATOM 553 C ASP A 36 115.959 23.041 10.201 1.00 1.00 C ATOM 554 O ASP A 36 116.364 24.121 9.770 1.00 1.00 O ATOM 555 CB ASP A 36 117.963 21.812 11.017 1.00 1.00 C ATOM 556 CG ASP A 36 118.788 21.490 12.255 1.00 1.00 C ATOM 557 OD1 ASP A 36 118.487 22.038 13.302 1.00 1.00 O ATOM 558 OD2 ASP A 36 119.705 20.696 12.140 1.00 1.00 O ATOM 0 H ASP A 36 115.903 20.464 11.674 1.00 1.00 H new ATOM 0 HA ASP A 36 116.760 23.218 12.158 1.00 1.00 H new ATOM 0 HB2 ASP A 36 117.798 20.906 10.434 1.00 1.00 H new ATOM 0 HB3 ASP A 36 118.507 22.508 10.378 1.00 1.00 H new ATOM 563 N HIS A 37 114.932 22.383 9.660 1.00 1.00 N ATOM 564 CA HIS A 37 114.193 22.896 8.502 1.00 1.00 C ATOM 565 C HIS A 37 115.008 22.848 7.218 1.00 1.00 C ATOM 566 O HIS A 37 114.640 23.479 6.227 1.00 1.00 O ATOM 567 CB HIS A 37 113.739 24.336 8.760 1.00 1.00 C ATOM 568 CG HIS A 37 113.146 24.439 10.138 1.00 1.00 C ATOM 569 ND1 HIS A 37 112.010 23.737 10.510 1.00 1.00 N ATOM 570 CD2 HIS A 37 113.510 25.173 11.242 1.00 1.00 C ATOM 571 CE1 HIS A 37 111.730 24.063 11.784 1.00 1.00 C ATOM 572 NE2 HIS A 37 112.611 24.935 12.279 1.00 1.00 N ATOM 0 H HIS A 37 114.590 21.487 10.008 1.00 1.00 H new ATOM 0 HA HIS A 37 113.328 22.246 8.369 1.00 1.00 H new ATOM 0 HB2 HIS A 37 114.585 25.017 8.665 1.00 1.00 H new ATOM 0 HB3 HIS A 37 113.003 24.635 8.013 1.00 1.00 H new ATOM 0 HD2 HIS A 37 114.363 25.833 11.297 1.00 1.00 H new ATOM 0 HE1 HIS A 37 110.893 23.667 12.340 1.00 1.00 H new ATOM 0 HE2 HIS A 37 112.623 25.340 13.215 1.00 1.00 H new ATOM 580 N LYS A 38 116.114 22.114 7.225 1.00 1.00 N ATOM 581 CA LYS A 38 116.940 22.040 6.031 1.00 1.00 C ATOM 582 C LYS A 38 116.376 21.023 5.026 1.00 1.00 C ATOM 583 O LYS A 38 115.766 20.029 5.419 1.00 1.00 O ATOM 584 CB LYS A 38 118.369 21.672 6.408 1.00 1.00 C ATOM 585 CG LYS A 38 119.166 22.956 6.622 1.00 1.00 C ATOM 586 CD LYS A 38 120.471 22.626 7.341 1.00 1.00 C ATOM 587 CE LYS A 38 121.332 23.884 7.445 1.00 1.00 C ATOM 588 NZ LYS A 38 121.535 24.217 8.880 1.00 1.00 N ATOM 0 H LYS A 38 116.452 21.575 8.023 1.00 1.00 H new ATOM 0 HA LYS A 38 116.936 23.020 5.554 1.00 1.00 H new ATOM 0 HB2 LYS A 38 118.377 21.067 7.315 1.00 1.00 H new ATOM 0 HB3 LYS A 38 118.825 21.071 5.621 1.00 1.00 H new ATOM 0 HG2 LYS A 38 119.376 23.431 5.664 1.00 1.00 H new ATOM 0 HG3 LYS A 38 118.583 23.666 7.209 1.00 1.00 H new ATOM 0 HD2 LYS A 38 120.261 22.234 8.336 1.00 1.00 H new ATOM 0 HD3 LYS A 38 121.010 21.848 6.799 1.00 1.00 H new ATOM 0 HE2 LYS A 38 122.293 23.723 6.957 1.00 1.00 H new ATOM 0 HE3 LYS A 38 120.848 24.715 6.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 122.121 25.073 8.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 120.613 24.386 9.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 122.013 23.426 9.356 1.00 1.00 H new ATOM 602 N PRO A 39 116.555 21.262 3.742 1.00 1.00 N ATOM 603 CA PRO A 39 116.045 20.359 2.662 1.00 1.00 C ATOM 604 C PRO A 39 116.842 19.059 2.541 1.00 1.00 C ATOM 605 O PRO A 39 118.024 19.016 2.880 1.00 1.00 O ATOM 606 CB PRO A 39 116.188 21.216 1.405 1.00 1.00 C ATOM 607 CG PRO A 39 117.361 22.079 1.686 1.00 1.00 C ATOM 608 CD PRO A 39 117.275 22.415 3.170 1.00 1.00 C ATOM 0 HA PRO A 39 115.026 20.024 2.855 1.00 1.00 H new ATOM 0 HB2 PRO A 39 116.349 20.601 0.520 1.00 1.00 H new ATOM 0 HB3 PRO A 39 115.292 21.809 1.223 1.00 1.00 H new ATOM 0 HG2 PRO A 39 118.292 21.562 1.454 1.00 1.00 H new ATOM 0 HG3 PRO A 39 117.338 22.983 1.077 1.00 1.00 H new ATOM 0 HD2 PRO A 39 118.264 22.531 3.613 1.00 1.00 H new ATOM 0 HD3 PRO A 39 116.738 23.348 3.340 1.00 1.00 H new ATOM 616 N ILE A 40 116.187 17.998 2.063 1.00 1.00 N ATOM 617 CA ILE A 40 116.846 16.701 1.915 1.00 1.00 C ATOM 618 C ILE A 40 117.043 16.370 0.438 1.00 1.00 C ATOM 619 O ILE A 40 116.102 16.441 -0.355 1.00 1.00 O ATOM 620 CB ILE A 40 116.012 15.581 2.549 1.00 1.00 C ATOM 621 CG1 ILE A 40 115.216 16.119 3.749 1.00 1.00 C ATOM 622 CG2 ILE A 40 116.974 14.490 3.020 1.00 1.00 C ATOM 623 CD1 ILE A 40 114.329 15.006 4.336 1.00 1.00 C ATOM 0 H ILE A 40 115.209 18.012 1.774 1.00 1.00 H new ATOM 0 HA ILE A 40 117.810 16.768 2.420 1.00 1.00 H new ATOM 0 HB ILE A 40 115.305 15.185 1.820 1.00 1.00 H new ATOM 0 HG12 ILE A 40 115.900 16.490 4.512 1.00 1.00 H new ATOM 0 HG13 ILE A 40 114.598 16.961 3.438 1.00 1.00 H new ATOM 0 HG21 ILE A 40 116.408 13.678 3.476 1.00 1.00 H new ATOM 0 HG22 ILE A 40 117.535 14.107 2.168 1.00 1.00 H new ATOM 0 HG23 ILE A 40 117.666 14.906 3.752 1.00 1.00 H new ATOM 0 HD11 ILE A 40 113.769 15.397 5.186 1.00 1.00 H new ATOM 0 HD12 ILE A 40 113.634 14.655 3.574 1.00 1.00 H new ATOM 0 HD13 ILE A 40 114.956 14.177 4.665 1.00 1.00 H new ATOM 635 N GLY A 41 118.263 15.975 0.081 1.00 1.00 N ATOM 636 CA GLY A 41 118.567 15.595 -1.289 1.00 1.00 C ATOM 637 C GLY A 41 118.736 14.085 -1.365 1.00 1.00 C ATOM 638 O GLY A 41 119.676 13.533 -0.801 1.00 1.00 O ATOM 0 H GLY A 41 119.053 15.911 0.723 1.00 1.00 H new ATOM 0 HA2 GLY A 41 117.766 15.917 -1.954 1.00 1.00 H new ATOM 0 HA3 GLY A 41 119.478 16.092 -1.623 1.00 1.00 H new ATOM 642 N LEU A 42 117.845 13.422 -2.095 1.00 1.00 N ATOM 643 CA LEU A 42 117.945 11.988 -2.261 1.00 1.00 C ATOM 644 C LEU A 42 118.694 11.719 -3.561 1.00 1.00 C ATOM 645 O LEU A 42 118.237 12.093 -4.643 1.00 1.00 O ATOM 646 CB LEU A 42 116.563 11.309 -2.376 1.00 1.00 C ATOM 647 CG LEU A 42 115.638 11.599 -1.179 1.00 1.00 C ATOM 648 CD1 LEU A 42 115.488 13.087 -0.929 1.00 1.00 C ATOM 649 CD2 LEU A 42 114.244 11.048 -1.489 1.00 1.00 C ATOM 0 H LEU A 42 117.055 13.855 -2.574 1.00 1.00 H new ATOM 0 HA LEU A 42 118.454 11.584 -1.386 1.00 1.00 H new ATOM 0 HB2 LEU A 42 116.076 11.645 -3.292 1.00 1.00 H new ATOM 0 HB3 LEU A 42 116.702 10.232 -2.466 1.00 1.00 H new ATOM 0 HG LEU A 42 116.080 11.131 -0.299 1.00 1.00 H new ATOM 0 HD11 LEU A 42 114.828 13.248 -0.077 1.00 1.00 H new ATOM 0 HD12 LEU A 42 116.465 13.521 -0.718 1.00 1.00 H new ATOM 0 HD13 LEU A 42 115.063 13.563 -1.812 1.00 1.00 H new ATOM 0 HD21 LEU A 42 113.579 11.247 -0.649 1.00 1.00 H new ATOM 0 HD22 LEU A 42 113.852 11.531 -2.384 1.00 1.00 H new ATOM 0 HD23 LEU A 42 114.307 9.973 -1.655 1.00 1.00 H new ATOM 661 N PHE A 43 119.852 11.090 -3.443 1.00 1.00 N ATOM 662 CA PHE A 43 120.676 10.789 -4.613 1.00 1.00 C ATOM 663 C PHE A 43 120.323 9.393 -5.122 1.00 1.00 C ATOM 664 O PHE A 43 120.701 8.398 -4.504 1.00 1.00 O ATOM 665 CB PHE A 43 122.150 10.864 -4.198 1.00 1.00 C ATOM 666 CG PHE A 43 123.069 10.799 -5.397 1.00 1.00 C ATOM 667 CD1 PHE A 43 123.053 11.825 -6.352 1.00 1.00 C ATOM 668 CD2 PHE A 43 123.962 9.729 -5.534 1.00 1.00 C ATOM 669 CE1 PHE A 43 123.932 11.778 -7.442 1.00 1.00 C ATOM 670 CE2 PHE A 43 124.832 9.682 -6.626 1.00 1.00 C ATOM 671 CZ PHE A 43 124.819 10.708 -7.580 1.00 1.00 C ATOM 0 H PHE A 43 120.245 10.777 -2.555 1.00 1.00 H new ATOM 0 HA PHE A 43 120.495 11.505 -5.414 1.00 1.00 H new ATOM 0 HB2 PHE A 43 122.328 11.790 -3.652 1.00 1.00 H new ATOM 0 HB3 PHE A 43 122.379 10.044 -3.518 1.00 1.00 H new ATOM 0 HD1 PHE A 43 122.364 12.650 -6.248 1.00 1.00 H new ATOM 0 HD2 PHE A 43 123.978 8.941 -4.796 1.00 1.00 H new ATOM 0 HE1 PHE A 43 123.924 12.570 -8.176 1.00 1.00 H new ATOM 0 HE2 PHE A 43 125.516 8.853 -6.735 1.00 1.00 H new ATOM 0 HZ PHE A 43 125.495 10.672 -8.422 1.00 1.00 H new ATOM 681 N PHE A 44 119.615 9.315 -6.252 1.00 1.00 N ATOM 682 CA PHE A 44 119.230 8.027 -6.847 1.00 1.00 C ATOM 683 C PHE A 44 120.231 7.642 -7.927 1.00 1.00 C ATOM 684 O PHE A 44 120.445 8.406 -8.871 1.00 1.00 O ATOM 685 CB PHE A 44 117.841 8.124 -7.468 1.00 1.00 C ATOM 686 CG PHE A 44 116.788 8.063 -6.394 1.00 1.00 C ATOM 687 CD1 PHE A 44 116.305 6.820 -5.974 1.00 1.00 C ATOM 688 CD2 PHE A 44 116.271 9.240 -5.836 1.00 1.00 C ATOM 689 CE1 PHE A 44 115.314 6.748 -4.992 1.00 1.00 C ATOM 690 CE2 PHE A 44 115.273 9.164 -4.857 1.00 1.00 C ATOM 691 CZ PHE A 44 114.797 7.918 -4.435 1.00 1.00 C ATOM 0 H PHE A 44 119.295 10.129 -6.776 1.00 1.00 H new ATOM 0 HA PHE A 44 119.221 7.270 -6.062 1.00 1.00 H new ATOM 0 HB2 PHE A 44 117.748 9.055 -8.026 1.00 1.00 H new ATOM 0 HB3 PHE A 44 117.694 7.310 -8.178 1.00 1.00 H new ATOM 0 HD1 PHE A 44 116.699 5.914 -6.410 1.00 1.00 H new ATOM 0 HD2 PHE A 44 116.641 10.202 -6.160 1.00 1.00 H new ATOM 0 HE1 PHE A 44 114.948 5.786 -4.664 1.00 1.00 H new ATOM 0 HE2 PHE A 44 114.870 10.069 -4.427 1.00 1.00 H new ATOM 0 HZ PHE A 44 114.029 7.862 -3.678 1.00 1.00 H new ATOM 701 N THR A 45 120.846 6.464 -7.795 1.00 1.00 N ATOM 702 CA THR A 45 121.826 6.052 -8.800 1.00 1.00 C ATOM 703 C THR A 45 122.029 4.543 -8.925 1.00 1.00 C ATOM 704 O THR A 45 121.410 3.740 -8.226 1.00 1.00 O ATOM 705 CB THR A 45 123.175 6.698 -8.482 1.00 1.00 C ATOM 706 OG1 THR A 45 123.478 6.504 -7.107 1.00 1.00 O ATOM 707 CG2 THR A 45 123.120 8.191 -8.787 1.00 1.00 C ATOM 0 H THR A 45 120.692 5.802 -7.034 1.00 1.00 H new ATOM 0 HA THR A 45 121.420 6.385 -9.755 1.00 1.00 H new ATOM 0 HB THR A 45 123.949 6.237 -9.096 1.00 1.00 H new ATOM 0 HG1 THR A 45 123.817 7.341 -6.725 1.00 1.00 H new ATOM 0 HG21 THR A 45 124.084 8.645 -8.558 1.00 1.00 H new ATOM 0 HG22 THR A 45 122.891 8.339 -9.842 1.00 1.00 H new ATOM 0 HG23 THR A 45 122.346 8.658 -8.179 1.00 1.00 H new ATOM 715 N GLY A 46 122.992 4.206 -9.779 1.00 1.00 N ATOM 716 CA GLY A 46 123.444 2.846 -10.006 1.00 1.00 C ATOM 717 C GLY A 46 124.966 2.887 -9.919 1.00 1.00 C ATOM 718 O GLY A 46 125.654 3.146 -10.907 1.00 1.00 O ATOM 0 H GLY A 46 123.490 4.894 -10.345 1.00 1.00 H new ATOM 0 HA2 GLY A 46 123.029 2.168 -9.260 1.00 1.00 H new ATOM 0 HA3 GLY A 46 123.119 2.485 -10.982 1.00 1.00 H new ATOM 722 N SER A 47 125.468 2.718 -8.699 1.00 1.00 N ATOM 723 CA SER A 47 126.899 2.819 -8.415 1.00 1.00 C ATOM 724 C SER A 47 127.797 1.913 -9.255 1.00 1.00 C ATOM 725 O SER A 47 128.929 2.291 -9.553 1.00 1.00 O ATOM 726 CB SER A 47 127.141 2.507 -6.937 1.00 1.00 C ATOM 727 OG SER A 47 126.657 3.582 -6.142 1.00 1.00 O ATOM 0 H SER A 47 124.897 2.508 -7.880 1.00 1.00 H new ATOM 0 HA SER A 47 127.173 3.841 -8.677 1.00 1.00 H new ATOM 0 HB2 SER A 47 126.636 1.581 -6.662 1.00 1.00 H new ATOM 0 HB3 SER A 47 128.205 2.356 -6.755 1.00 1.00 H new ATOM 0 HG SER A 47 126.210 3.225 -5.346 1.00 1.00 H new ATOM 733 N ASP A 48 127.343 0.708 -9.597 1.00 1.00 N ATOM 734 CA ASP A 48 128.185 -0.219 -10.345 1.00 1.00 C ATOM 735 C ASP A 48 127.840 -0.321 -11.828 1.00 1.00 C ATOM 736 O ASP A 48 128.519 -1.057 -12.544 1.00 1.00 O ATOM 737 CB ASP A 48 128.075 -1.611 -9.710 1.00 1.00 C ATOM 738 CG ASP A 48 128.790 -1.630 -8.362 1.00 1.00 C ATOM 739 OD1 ASP A 48 129.476 -0.667 -8.061 1.00 1.00 O ATOM 740 OD2 ASP A 48 128.640 -2.610 -7.648 1.00 1.00 O ATOM 0 H ASP A 48 126.412 0.356 -9.372 1.00 1.00 H new ATOM 0 HA ASP A 48 129.200 0.174 -10.293 1.00 1.00 H new ATOM 0 HB2 ASP A 48 127.026 -1.877 -9.578 1.00 1.00 H new ATOM 0 HB3 ASP A 48 128.512 -2.357 -10.373 1.00 1.00 H new ATOM 745 N TRP A 49 126.776 0.344 -12.297 1.00 1.00 N ATOM 746 CA TRP A 49 126.404 0.192 -13.707 1.00 1.00 C ATOM 747 C TRP A 49 126.049 1.490 -14.441 1.00 1.00 C ATOM 748 O TRP A 49 126.064 1.508 -15.673 1.00 1.00 O ATOM 749 CB TRP A 49 125.242 -0.785 -13.796 1.00 1.00 C ATOM 750 CG TRP A 49 124.150 -0.366 -12.867 1.00 1.00 C ATOM 751 CD1 TRP A 49 124.228 -0.349 -11.513 1.00 1.00 C ATOM 752 CD2 TRP A 49 122.813 0.084 -13.205 1.00 1.00 C ATOM 753 NE1 TRP A 49 123.015 0.067 -11.004 1.00 1.00 N ATOM 754 CE2 TRP A 49 122.110 0.355 -12.010 1.00 1.00 C ATOM 755 CE3 TRP A 49 122.154 0.279 -14.428 1.00 1.00 C ATOM 756 CZ2 TRP A 49 120.790 0.806 -12.029 1.00 1.00 C ATOM 757 CZ3 TRP A 49 120.828 0.733 -14.454 1.00 1.00 C ATOM 758 CH2 TRP A 49 120.146 0.996 -13.257 1.00 1.00 C ATOM 0 H TRP A 49 126.182 0.966 -11.749 1.00 1.00 H new ATOM 0 HA TRP A 49 127.294 -0.178 -14.216 1.00 1.00 H new ATOM 0 HB2 TRP A 49 124.866 -0.824 -14.818 1.00 1.00 H new ATOM 0 HB3 TRP A 49 125.581 -1.790 -13.543 1.00 1.00 H new ATOM 0 HD1 TRP A 49 125.096 -0.617 -10.930 1.00 1.00 H new ATOM 0 HE1 TRP A 49 122.811 0.152 -10.008 1.00 1.00 H new ATOM 0 HE3 TRP A 49 122.671 0.078 -15.355 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 120.270 1.007 -11.104 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 120.329 0.881 -15.400 1.00 1.00 H new ATOM 0 HH2 TRP A 49 119.124 1.345 -13.283 1.00 1.00 H new ATOM 769 N CYS A 50 125.716 2.562 -13.733 1.00 1.00 N ATOM 770 CA CYS A 50 125.358 3.821 -14.392 1.00 1.00 C ATOM 771 C CYS A 50 126.578 4.745 -14.489 1.00 1.00 C ATOM 772 O CYS A 50 127.100 5.211 -13.480 1.00 1.00 O ATOM 773 CB CYS A 50 124.236 4.488 -13.599 1.00 1.00 C ATOM 774 SG CYS A 50 123.863 6.112 -14.294 1.00 1.00 S ATOM 0 H CYS A 50 125.685 2.590 -12.714 1.00 1.00 H new ATOM 0 HA CYS A 50 125.016 3.619 -15.407 1.00 1.00 H new ATOM 0 HB2 CYS A 50 123.344 3.862 -13.620 1.00 1.00 H new ATOM 0 HB3 CYS A 50 124.530 4.590 -12.554 1.00 1.00 H new ATOM 779 N MET A 51 127.040 4.985 -15.720 1.00 1.00 N ATOM 780 CA MET A 51 128.215 5.827 -15.948 1.00 1.00 C ATOM 781 C MET A 51 127.893 7.302 -15.769 1.00 1.00 C ATOM 782 O MET A 51 128.674 8.043 -15.176 1.00 1.00 O ATOM 783 CB MET A 51 128.761 5.582 -17.354 1.00 1.00 C ATOM 784 CG MET A 51 130.045 6.387 -17.566 1.00 1.00 C ATOM 785 SD MET A 51 130.735 5.984 -19.190 1.00 1.00 S ATOM 786 CE MET A 51 129.385 6.658 -20.191 1.00 1.00 C ATOM 0 H MET A 51 126.619 4.609 -16.570 1.00 1.00 H new ATOM 0 HA MET A 51 128.968 5.558 -15.207 1.00 1.00 H new ATOM 0 HB2 MET A 51 128.961 4.520 -17.495 1.00 1.00 H new ATOM 0 HB3 MET A 51 128.016 5.868 -18.097 1.00 1.00 H new ATOM 0 HG2 MET A 51 129.835 7.455 -17.501 1.00 1.00 H new ATOM 0 HG3 MET A 51 130.767 6.156 -16.783 1.00 1.00 H new ATOM 0 HE1 MET A 51 129.758 6.908 -21.184 1.00 1.00 H new ATOM 0 HE2 MET A 51 128.591 5.916 -20.278 1.00 1.00 H new ATOM 0 HE3 MET A 51 128.992 7.556 -19.714 1.00 1.00 H new ATOM 796 N TRP A 52 126.744 7.733 -16.276 1.00 1.00 N ATOM 797 CA TRP A 52 126.341 9.121 -16.154 1.00 1.00 C ATOM 798 C TRP A 52 126.207 9.469 -14.685 1.00 1.00 C ATOM 799 O TRP A 52 126.435 10.608 -14.277 1.00 1.00 O ATOM 800 CB TRP A 52 125.012 9.347 -16.876 1.00 1.00 C ATOM 801 CG TRP A 52 125.245 9.281 -18.350 1.00 1.00 C ATOM 802 CD1 TRP A 52 125.687 10.309 -19.108 1.00 1.00 C ATOM 803 CD2 TRP A 52 125.068 8.152 -19.256 1.00 1.00 C ATOM 804 NE1 TRP A 52 125.796 9.885 -20.418 1.00 1.00 N ATOM 805 CE2 TRP A 52 125.426 8.564 -20.562 1.00 1.00 C ATOM 806 CE3 TRP A 52 124.637 6.822 -19.078 1.00 1.00 C ATOM 807 CZ2 TRP A 52 125.362 7.692 -21.650 1.00 1.00 C ATOM 808 CZ3 TRP A 52 124.571 5.943 -20.173 1.00 1.00 C ATOM 809 CH2 TRP A 52 124.933 6.378 -21.454 1.00 1.00 C ATOM 0 H TRP A 52 126.079 7.140 -16.773 1.00 1.00 H new ATOM 0 HA TRP A 52 127.094 9.763 -16.611 1.00 1.00 H new ATOM 0 HB2 TRP A 52 124.286 8.592 -16.575 1.00 1.00 H new ATOM 0 HB3 TRP A 52 124.595 10.316 -16.603 1.00 1.00 H new ATOM 0 HD1 TRP A 52 125.917 11.301 -18.748 1.00 1.00 H new ATOM 0 HE1 TRP A 52 126.112 10.477 -21.186 1.00 1.00 H new ATOM 0 HE3 TRP A 52 124.356 6.476 -18.094 1.00 1.00 H new ATOM 0 HZ2 TRP A 52 125.642 8.031 -22.636 1.00 1.00 H new ATOM 0 HZ3 TRP A 52 124.239 4.926 -20.025 1.00 1.00 H new ATOM 0 HH2 TRP A 52 124.880 5.697 -22.290 1.00 1.00 H new ATOM 820 N CYS A 53 125.849 8.468 -13.900 1.00 1.00 N ATOM 821 CA CYS A 53 125.699 8.655 -12.474 1.00 1.00 C ATOM 822 C CYS A 53 127.064 8.864 -11.850 1.00 1.00 C ATOM 823 O CYS A 53 127.234 9.719 -10.983 1.00 1.00 O ATOM 824 CB CYS A 53 125.005 7.453 -11.850 1.00 1.00 C ATOM 825 SG CYS A 53 123.406 7.205 -12.663 1.00 1.00 S ATOM 0 H CYS A 53 125.658 7.521 -14.228 1.00 1.00 H new ATOM 0 HA CYS A 53 125.082 9.534 -12.289 1.00 1.00 H new ATOM 0 HB2 CYS A 53 125.624 6.563 -11.959 1.00 1.00 H new ATOM 0 HB3 CYS A 53 124.863 7.614 -10.781 1.00 1.00 H new ATOM 830 N ILE A 54 128.045 8.099 -12.314 1.00 1.00 N ATOM 831 CA ILE A 54 129.386 8.250 -11.799 1.00 1.00 C ATOM 832 C ILE A 54 129.859 9.653 -12.115 1.00 1.00 C ATOM 833 O ILE A 54 130.471 10.314 -11.281 1.00 1.00 O ATOM 834 CB ILE A 54 130.333 7.236 -12.433 1.00 1.00 C ATOM 835 CG1 ILE A 54 129.953 5.826 -11.973 1.00 1.00 C ATOM 836 CG2 ILE A 54 131.763 7.544 -11.992 1.00 1.00 C ATOM 837 CD1 ILE A 54 130.665 4.782 -12.840 1.00 1.00 C ATOM 0 H ILE A 54 127.934 7.383 -13.032 1.00 1.00 H new ATOM 0 HA ILE A 54 129.381 8.077 -10.723 1.00 1.00 H new ATOM 0 HB ILE A 54 130.261 7.295 -13.519 1.00 1.00 H new ATOM 0 HG12 ILE A 54 130.227 5.690 -10.927 1.00 1.00 H new ATOM 0 HG13 ILE A 54 128.873 5.691 -12.040 1.00 1.00 H new ATOM 0 HG21 ILE A 54 132.446 6.823 -12.442 1.00 1.00 H new ATOM 0 HG22 ILE A 54 132.034 8.550 -12.313 1.00 1.00 H new ATOM 0 HG23 ILE A 54 131.831 7.480 -10.906 1.00 1.00 H new ATOM 0 HD11 ILE A 54 130.389 3.782 -12.506 1.00 1.00 H new ATOM 0 HD12 ILE A 54 130.369 4.911 -13.881 1.00 1.00 H new ATOM 0 HD13 ILE A 54 131.744 4.909 -12.751 1.00 1.00 H new ATOM 849 N LYS A 55 129.594 10.102 -13.347 1.00 1.00 N ATOM 850 CA LYS A 55 130.026 11.423 -13.771 1.00 1.00 C ATOM 851 C LYS A 55 129.396 12.502 -12.911 1.00 1.00 C ATOM 852 O LYS A 55 130.085 13.417 -12.461 1.00 1.00 O ATOM 853 CB LYS A 55 129.674 11.660 -15.244 1.00 1.00 C ATOM 854 CG LYS A 55 130.423 10.667 -16.149 1.00 1.00 C ATOM 855 CD LYS A 55 131.935 10.918 -16.106 1.00 1.00 C ATOM 856 CE LYS A 55 132.595 10.228 -17.300 1.00 1.00 C ATOM 857 NZ LYS A 55 134.054 10.521 -17.287 1.00 1.00 N ATOM 0 H LYS A 55 129.088 9.571 -14.056 1.00 1.00 H new ATOM 0 HA LYS A 55 131.109 11.473 -13.654 1.00 1.00 H new ATOM 0 HB2 LYS A 55 128.599 11.551 -15.388 1.00 1.00 H new ATOM 0 HB3 LYS A 55 129.932 12.681 -15.525 1.00 1.00 H new ATOM 0 HG2 LYS A 55 130.211 9.647 -15.829 1.00 1.00 H new ATOM 0 HG3 LYS A 55 130.064 10.761 -17.174 1.00 1.00 H new ATOM 0 HD2 LYS A 55 132.139 11.989 -16.132 1.00 1.00 H new ATOM 0 HD3 LYS A 55 132.352 10.536 -15.174 1.00 1.00 H new ATOM 0 HE2 LYS A 55 132.427 9.152 -17.252 1.00 1.00 H new ATOM 0 HE3 LYS A 55 132.149 10.579 -18.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 134.509 10.054 -18.097 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 134.202 11.548 -17.351 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 134.472 10.166 -16.403 1.00 1.00 H new ATOM 871 N MET A 56 128.093 12.409 -12.659 1.00 1.00 N ATOM 872 CA MET A 56 127.443 13.402 -11.837 1.00 1.00 C ATOM 873 C MET A 56 128.052 13.368 -10.456 1.00 1.00 C ATOM 874 O MET A 56 128.355 14.400 -9.858 1.00 1.00 O ATOM 875 CB MET A 56 125.943 13.139 -11.750 1.00 1.00 C ATOM 876 CG MET A 56 125.310 14.213 -10.869 1.00 1.00 C ATOM 877 SD MET A 56 123.513 14.064 -10.898 1.00 1.00 S ATOM 878 CE MET A 56 123.206 15.189 -9.519 1.00 1.00 C ATOM 0 H MET A 56 127.484 11.669 -13.008 1.00 1.00 H new ATOM 0 HA MET A 56 127.587 14.385 -12.285 1.00 1.00 H new ATOM 0 HB2 MET A 56 125.498 13.155 -12.745 1.00 1.00 H new ATOM 0 HB3 MET A 56 125.756 12.149 -11.333 1.00 1.00 H new ATOM 0 HG2 MET A 56 125.674 14.115 -9.846 1.00 1.00 H new ATOM 0 HG3 MET A 56 125.606 15.202 -11.219 1.00 1.00 H new ATOM 0 HE1 MET A 56 122.132 15.318 -9.387 1.00 1.00 H new ATOM 0 HE2 MET A 56 123.637 14.774 -8.608 1.00 1.00 H new ATOM 0 HE3 MET A 56 123.664 16.156 -9.729 1.00 1.00 H new ATOM 888 N GLN A 57 128.235 12.148 -9.961 1.00 1.00 N ATOM 889 CA GLN A 57 128.808 11.930 -8.652 1.00 1.00 C ATOM 890 C GLN A 57 130.268 12.376 -8.624 1.00 1.00 C ATOM 891 O GLN A 57 130.671 13.107 -7.718 1.00 1.00 O ATOM 892 CB GLN A 57 128.681 10.443 -8.294 1.00 1.00 C ATOM 893 CG GLN A 57 129.778 10.053 -7.313 1.00 1.00 C ATOM 894 CD GLN A 57 129.412 8.757 -6.590 1.00 1.00 C ATOM 895 OE1 GLN A 57 128.292 8.261 -6.727 1.00 1.00 O ATOM 896 NE2 GLN A 57 130.296 8.178 -5.820 1.00 1.00 N ATOM 0 H GLN A 57 127.990 11.292 -10.458 1.00 1.00 H new ATOM 0 HA GLN A 57 128.269 12.524 -7.914 1.00 1.00 H new ATOM 0 HB2 GLN A 57 127.702 10.247 -7.856 1.00 1.00 H new ATOM 0 HB3 GLN A 57 128.754 9.835 -9.196 1.00 1.00 H new ATOM 0 HG2 GLN A 57 130.721 9.926 -7.844 1.00 1.00 H new ATOM 0 HG3 GLN A 57 129.926 10.852 -6.587 1.00 1.00 H new ATOM 0 HE21 GLN A 57 131.222 8.590 -5.708 1.00 1.00 H new ATOM 0 HE22 GLN A 57 130.059 7.314 -5.332 1.00 1.00 H new ATOM 905 N ASP A 58 131.062 11.953 -9.589 1.00 1.00 N ATOM 906 CA ASP A 58 132.472 12.335 -9.605 1.00 1.00 C ATOM 907 C ASP A 58 132.677 13.821 -9.913 1.00 1.00 C ATOM 908 O ASP A 58 133.604 14.434 -9.384 1.00 1.00 O ATOM 909 CB ASP A 58 133.240 11.501 -10.637 1.00 1.00 C ATOM 910 CG ASP A 58 133.685 10.161 -10.042 1.00 1.00 C ATOM 911 OD1 ASP A 58 133.472 9.947 -8.860 1.00 1.00 O ATOM 912 OD2 ASP A 58 134.231 9.363 -10.787 1.00 1.00 O ATOM 0 H ASP A 58 130.768 11.355 -10.362 1.00 1.00 H new ATOM 0 HA ASP A 58 132.855 12.144 -8.603 1.00 1.00 H new ATOM 0 HB2 ASP A 58 132.609 11.324 -11.508 1.00 1.00 H new ATOM 0 HB3 ASP A 58 134.112 12.057 -10.982 1.00 1.00 H new ATOM 917 N GLN A 59 131.869 14.391 -10.797 1.00 1.00 N ATOM 918 CA GLN A 59 132.083 15.790 -11.164 1.00 1.00 C ATOM 919 C GLN A 59 131.335 16.807 -10.296 1.00 1.00 C ATOM 920 O GLN A 59 131.784 17.951 -10.205 1.00 1.00 O ATOM 921 CB GLN A 59 131.680 16.001 -12.622 1.00 1.00 C ATOM 922 CG GLN A 59 132.554 15.126 -13.519 1.00 1.00 C ATOM 923 CD GLN A 59 132.113 15.273 -14.970 1.00 1.00 C ATOM 924 OE1 GLN A 59 130.931 15.484 -15.241 1.00 1.00 O ATOM 925 NE2 GLN A 59 132.995 15.165 -15.925 1.00 1.00 N ATOM 0 H GLN A 59 131.086 13.930 -11.260 1.00 1.00 H new ATOM 0 HA GLN A 59 133.145 15.973 -11.002 1.00 1.00 H new ATOM 0 HB2 GLN A 59 130.629 15.748 -12.761 1.00 1.00 H new ATOM 0 HB3 GLN A 59 131.795 17.050 -12.895 1.00 1.00 H new ATOM 0 HG2 GLN A 59 133.600 15.414 -13.416 1.00 1.00 H new ATOM 0 HG3 GLN A 59 132.479 14.083 -13.210 1.00 1.00 H new ATOM 0 HE21 GLN A 59 133.974 14.990 -15.698 1.00 1.00 H new ATOM 0 HE22 GLN A 59 132.706 15.255 -16.899 1.00 1.00 H new ATOM 934 N ILE A 60 130.194 16.442 -9.705 1.00 1.00 N ATOM 935 CA ILE A 60 129.435 17.422 -8.917 1.00 1.00 C ATOM 936 C ILE A 60 129.374 17.080 -7.430 1.00 1.00 C ATOM 937 O ILE A 60 129.703 17.926 -6.604 1.00 1.00 O ATOM 938 CB ILE A 60 128.008 17.536 -9.477 1.00 1.00 C ATOM 939 CG1 ILE A 60 128.061 18.076 -10.912 1.00 1.00 C ATOM 940 CG2 ILE A 60 127.178 18.496 -8.614 1.00 1.00 C ATOM 941 CD1 ILE A 60 126.688 17.909 -11.568 1.00 1.00 C ATOM 0 H ILE A 60 129.785 15.509 -9.752 1.00 1.00 H new ATOM 0 HA ILE A 60 129.961 18.373 -9.002 1.00 1.00 H new ATOM 0 HB ILE A 60 127.547 16.548 -9.467 1.00 1.00 H new ATOM 0 HG12 ILE A 60 128.348 19.127 -10.906 1.00 1.00 H new ATOM 0 HG13 ILE A 60 128.818 17.542 -11.486 1.00 1.00 H new ATOM 0 HG21 ILE A 60 126.169 18.570 -9.019 1.00 1.00 H new ATOM 0 HG22 ILE A 60 127.132 18.119 -7.592 1.00 1.00 H new ATOM 0 HG23 ILE A 60 127.643 19.482 -8.617 1.00 1.00 H new ATOM 0 HD11 ILE A 60 126.723 18.292 -12.588 1.00 1.00 H new ATOM 0 HD12 ILE A 60 126.419 16.853 -11.586 1.00 1.00 H new ATOM 0 HD13 ILE A 60 125.942 18.463 -10.998 1.00 1.00 H new ATOM 953 N LEU A 61 128.929 15.893 -7.062 1.00 1.00 N ATOM 954 CA LEU A 61 128.815 15.561 -5.642 1.00 1.00 C ATOM 955 C LEU A 61 130.171 15.659 -4.947 1.00 1.00 C ATOM 956 O LEU A 61 130.257 16.120 -3.808 1.00 1.00 O ATOM 957 CB LEU A 61 128.278 14.136 -5.433 1.00 1.00 C ATOM 958 CG LEU A 61 126.785 14.009 -5.816 1.00 1.00 C ATOM 959 CD1 LEU A 61 125.887 14.562 -4.711 1.00 1.00 C ATOM 960 CD2 LEU A 61 126.471 14.771 -7.095 1.00 1.00 C ATOM 0 H LEU A 61 128.645 15.154 -7.705 1.00 1.00 H new ATOM 0 HA LEU A 61 128.118 16.280 -5.213 1.00 1.00 H new ATOM 0 HB2 LEU A 61 128.865 13.438 -6.030 1.00 1.00 H new ATOM 0 HB3 LEU A 61 128.409 13.850 -4.389 1.00 1.00 H new ATOM 0 HG LEU A 61 126.593 12.946 -5.963 1.00 1.00 H new ATOM 0 HD11 LEU A 61 124.843 14.460 -5.006 1.00 1.00 H new ATOM 0 HD12 LEU A 61 126.060 14.006 -3.790 1.00 1.00 H new ATOM 0 HD13 LEU A 61 126.117 15.615 -4.548 1.00 1.00 H new ATOM 0 HD21 LEU A 61 125.413 14.660 -7.334 1.00 1.00 H new ATOM 0 HD22 LEU A 61 126.703 15.827 -6.956 1.00 1.00 H new ATOM 0 HD23 LEU A 61 127.072 14.373 -7.913 1.00 1.00 H new ATOM 972 N GLN A 62 131.227 15.200 -5.623 1.00 1.00 N ATOM 973 CA GLN A 62 132.569 15.217 -5.045 1.00 1.00 C ATOM 974 C GLN A 62 133.338 16.512 -5.326 1.00 1.00 C ATOM 975 O GLN A 62 134.508 16.622 -4.965 1.00 1.00 O ATOM 976 CB GLN A 62 133.387 14.039 -5.575 1.00 1.00 C ATOM 977 CG GLN A 62 132.883 12.737 -4.954 1.00 1.00 C ATOM 978 CD GLN A 62 133.591 11.547 -5.592 1.00 1.00 C ATOM 979 OE1 GLN A 62 134.458 11.724 -6.449 1.00 1.00 O ATOM 980 NE2 GLN A 62 133.275 10.337 -5.224 1.00 1.00 N ATOM 0 H GLN A 62 131.178 14.814 -6.566 1.00 1.00 H new ATOM 0 HA GLN A 62 132.431 15.143 -3.966 1.00 1.00 H new ATOM 0 HB2 GLN A 62 133.308 13.989 -6.661 1.00 1.00 H new ATOM 0 HB3 GLN A 62 134.441 14.181 -5.338 1.00 1.00 H new ATOM 0 HG2 GLN A 62 133.062 12.744 -3.879 1.00 1.00 H new ATOM 0 HG3 GLN A 62 131.806 12.649 -5.097 1.00 1.00 H new ATOM 0 HE21 GLN A 62 132.557 10.191 -4.514 1.00 1.00 H new ATOM 0 HE22 GLN A 62 133.746 9.536 -5.646 1.00 1.00 H new ATOM 989 N SER A 63 132.709 17.491 -5.974 1.00 1.00 N ATOM 990 CA SER A 63 133.405 18.745 -6.269 1.00 1.00 C ATOM 991 C SER A 63 133.450 19.633 -5.030 1.00 1.00 C ATOM 992 O SER A 63 132.588 19.536 -4.162 1.00 1.00 O ATOM 993 CB SER A 63 132.701 19.493 -7.401 1.00 1.00 C ATOM 994 OG SER A 63 131.314 19.575 -7.114 1.00 1.00 O ATOM 0 H SER A 63 131.743 17.446 -6.298 1.00 1.00 H new ATOM 0 HA SER A 63 134.423 18.503 -6.576 1.00 1.00 H new ATOM 0 HB2 SER A 63 133.122 20.493 -7.509 1.00 1.00 H new ATOM 0 HB3 SER A 63 132.859 18.976 -8.348 1.00 1.00 H new ATOM 0 HG SER A 63 130.931 18.673 -7.091 1.00 1.00 H new ATOM 1000 N SER A 64 134.481 20.466 -4.927 1.00 1.00 N ATOM 1001 CA SER A 64 134.637 21.314 -3.749 1.00 1.00 C ATOM 1002 C SER A 64 133.464 22.264 -3.539 1.00 1.00 C ATOM 1003 O SER A 64 133.024 22.454 -2.404 1.00 1.00 O ATOM 1004 CB SER A 64 135.941 22.103 -3.845 1.00 1.00 C ATOM 1005 OG SER A 64 137.034 21.216 -3.629 1.00 1.00 O ATOM 0 H SER A 64 135.210 20.572 -5.632 1.00 1.00 H new ATOM 0 HA SER A 64 134.664 20.653 -2.883 1.00 1.00 H new ATOM 0 HB2 SER A 64 136.025 22.574 -4.824 1.00 1.00 H new ATOM 0 HB3 SER A 64 135.953 22.903 -3.105 1.00 1.00 H new ATOM 0 HG SER A 64 137.876 21.713 -3.690 1.00 1.00 H new ATOM 1011 N GLU A 65 132.964 22.880 -4.603 1.00 1.00 N ATOM 1012 CA GLU A 65 131.863 23.816 -4.462 1.00 1.00 C ATOM 1013 C GLU A 65 130.614 23.120 -3.949 1.00 1.00 C ATOM 1014 O GLU A 65 129.919 23.636 -3.075 1.00 1.00 O ATOM 1015 CB GLU A 65 131.573 24.466 -5.814 1.00 1.00 C ATOM 1016 CG GLU A 65 132.814 25.238 -6.256 1.00 1.00 C ATOM 1017 CD GLU A 65 133.039 26.439 -5.341 1.00 1.00 C ATOM 1018 OE1 GLU A 65 132.097 26.836 -4.673 1.00 1.00 O ATOM 1019 OE2 GLU A 65 134.147 26.948 -5.326 1.00 1.00 O ATOM 0 H GLU A 65 133.299 22.750 -5.558 1.00 1.00 H new ATOM 0 HA GLU A 65 132.149 24.578 -3.737 1.00 1.00 H new ATOM 0 HB2 GLU A 65 131.316 23.706 -6.552 1.00 1.00 H new ATOM 0 HB3 GLU A 65 130.717 25.137 -5.736 1.00 1.00 H new ATOM 0 HG2 GLU A 65 133.686 24.584 -6.232 1.00 1.00 H new ATOM 0 HG3 GLU A 65 132.695 25.573 -7.286 1.00 1.00 H new ATOM 1026 N PHE A 66 130.343 21.937 -4.480 1.00 1.00 N ATOM 1027 CA PHE A 66 129.190 21.162 -4.058 1.00 1.00 C ATOM 1028 C PHE A 66 129.307 20.768 -2.587 1.00 1.00 C ATOM 1029 O PHE A 66 128.336 20.847 -1.834 1.00 1.00 O ATOM 1030 CB PHE A 66 129.092 19.902 -4.914 1.00 1.00 C ATOM 1031 CG PHE A 66 127.852 19.132 -4.546 1.00 1.00 C ATOM 1032 CD1 PHE A 66 127.870 18.260 -3.453 1.00 1.00 C ATOM 1033 CD2 PHE A 66 126.685 19.286 -5.299 1.00 1.00 C ATOM 1034 CE1 PHE A 66 126.720 17.545 -3.112 1.00 1.00 C ATOM 1035 CE2 PHE A 66 125.533 18.570 -4.960 1.00 1.00 C ATOM 1036 CZ PHE A 66 125.549 17.698 -3.866 1.00 1.00 C ATOM 0 H PHE A 66 130.908 21.494 -5.205 1.00 1.00 H new ATOM 0 HA PHE A 66 128.295 21.772 -4.182 1.00 1.00 H new ATOM 0 HB2 PHE A 66 129.065 20.170 -5.970 1.00 1.00 H new ATOM 0 HB3 PHE A 66 129.975 19.280 -4.765 1.00 1.00 H new ATOM 0 HD1 PHE A 66 128.773 18.140 -2.873 1.00 1.00 H new ATOM 0 HD2 PHE A 66 126.673 19.959 -6.144 1.00 1.00 H new ATOM 0 HE1 PHE A 66 126.733 16.873 -2.266 1.00 1.00 H new ATOM 0 HE2 PHE A 66 124.631 18.690 -5.542 1.00 1.00 H new ATOM 0 HZ PHE A 66 124.660 17.144 -3.603 1.00 1.00 H new ATOM 1046 N LYS A 67 130.501 20.323 -2.196 1.00 1.00 N ATOM 1047 CA LYS A 67 130.736 19.893 -0.822 1.00 1.00 C ATOM 1048 C LYS A 67 130.507 21.023 0.159 1.00 1.00 C ATOM 1049 O LYS A 67 129.880 20.832 1.197 1.00 1.00 O ATOM 1050 CB LYS A 67 132.179 19.412 -0.642 1.00 1.00 C ATOM 1051 CG LYS A 67 132.400 18.059 -1.314 1.00 1.00 C ATOM 1052 CD LYS A 67 133.852 17.640 -1.086 1.00 1.00 C ATOM 1053 CE LYS A 67 134.092 16.256 -1.673 1.00 1.00 C ATOM 1054 NZ LYS A 67 135.489 15.834 -1.382 1.00 1.00 N ATOM 0 H LYS A 67 131.314 20.252 -2.808 1.00 1.00 H new ATOM 0 HA LYS A 67 130.034 19.083 -0.625 1.00 1.00 H new ATOM 0 HB2 LYS A 67 132.865 20.147 -1.064 1.00 1.00 H new ATOM 0 HB3 LYS A 67 132.409 19.335 0.421 1.00 1.00 H new ATOM 0 HG2 LYS A 67 131.721 17.314 -0.900 1.00 1.00 H new ATOM 0 HG3 LYS A 67 132.187 18.126 -2.381 1.00 1.00 H new ATOM 0 HD2 LYS A 67 134.525 18.362 -1.549 1.00 1.00 H new ATOM 0 HD3 LYS A 67 134.075 17.635 -0.019 1.00 1.00 H new ATOM 0 HE2 LYS A 67 133.388 15.541 -1.248 1.00 1.00 H new ATOM 0 HE3 LYS A 67 133.921 16.270 -2.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 135.656 14.889 -1.782 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 136.152 16.512 -1.808 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 135.636 15.806 -0.353 1.00 1.00 H new ATOM 1068 N HIS A 68 131.036 22.197 -0.157 1.00 1.00 N ATOM 1069 CA HIS A 68 130.898 23.322 0.738 1.00 1.00 C ATOM 1070 C HIS A 68 129.451 23.752 0.854 1.00 1.00 C ATOM 1071 O HIS A 68 128.955 24.006 1.951 1.00 1.00 O ATOM 1072 CB HIS A 68 131.750 24.495 0.243 1.00 1.00 C ATOM 1073 CG HIS A 68 131.637 25.649 1.201 1.00 1.00 C ATOM 1074 ND1 HIS A 68 130.647 26.614 1.090 1.00 1.00 N ATOM 1075 CD2 HIS A 68 132.390 26.010 2.292 1.00 1.00 C ATOM 1076 CE1 HIS A 68 130.828 27.499 2.089 1.00 1.00 C ATOM 1077 NE2 HIS A 68 131.880 27.179 2.849 1.00 1.00 N ATOM 0 H HIS A 68 131.556 22.387 -1.014 1.00 1.00 H new ATOM 0 HA HIS A 68 131.244 23.014 1.724 1.00 1.00 H new ATOM 0 HB2 HIS A 68 132.792 24.187 0.152 1.00 1.00 H new ATOM 0 HB3 HIS A 68 131.421 24.802 -0.750 1.00 1.00 H new ATOM 0 HD2 HIS A 68 133.248 25.468 2.662 1.00 1.00 H new ATOM 0 HE1 HIS A 68 130.200 28.362 2.256 1.00 1.00 H new ATOM 0 HE2 HIS A 68 132.233 27.683 3.662 1.00 1.00 H new ATOM 1085 N PHE A 69 128.777 23.846 -0.281 1.00 1.00 N ATOM 1086 CA PHE A 69 127.400 24.265 -0.311 1.00 1.00 C ATOM 1087 C PHE A 69 126.494 23.301 0.457 1.00 1.00 C ATOM 1088 O PHE A 69 125.684 23.720 1.282 1.00 1.00 O ATOM 1089 CB PHE A 69 126.966 24.358 -1.774 1.00 1.00 C ATOM 1090 CG PHE A 69 125.489 24.614 -1.855 1.00 1.00 C ATOM 1091 CD1 PHE A 69 124.982 25.861 -1.486 1.00 1.00 C ATOM 1092 CD2 PHE A 69 124.629 23.605 -2.299 1.00 1.00 C ATOM 1093 CE1 PHE A 69 123.609 26.102 -1.559 1.00 1.00 C ATOM 1094 CE2 PHE A 69 123.258 23.848 -2.376 1.00 1.00 C ATOM 1095 CZ PHE A 69 122.745 25.096 -2.006 1.00 1.00 C ATOM 0 H PHE A 69 129.173 23.634 -1.197 1.00 1.00 H new ATOM 0 HA PHE A 69 127.309 25.235 0.178 1.00 1.00 H new ATOM 0 HB2 PHE A 69 127.510 25.159 -2.273 1.00 1.00 H new ATOM 0 HB3 PHE A 69 127.212 23.433 -2.295 1.00 1.00 H new ATOM 0 HD1 PHE A 69 125.650 26.638 -1.145 1.00 1.00 H new ATOM 0 HD2 PHE A 69 125.025 22.641 -2.581 1.00 1.00 H new ATOM 0 HE1 PHE A 69 123.214 27.065 -1.271 1.00 1.00 H new ATOM 0 HE2 PHE A 69 122.591 23.072 -2.722 1.00 1.00 H new ATOM 0 HZ PHE A 69 121.683 25.283 -2.065 1.00 1.00 H new ATOM 1105 N ALA A 70 126.606 22.012 0.144 1.00 1.00 N ATOM 1106 CA ALA A 70 125.769 20.994 0.755 1.00 1.00 C ATOM 1107 C ALA A 70 126.055 20.799 2.238 1.00 1.00 C ATOM 1108 O ALA A 70 125.139 20.544 3.021 1.00 1.00 O ATOM 1109 CB ALA A 70 125.948 19.659 0.027 1.00 1.00 C ATOM 0 H ALA A 70 127.275 21.650 -0.535 1.00 1.00 H new ATOM 0 HA ALA A 70 124.740 21.343 0.664 1.00 1.00 H new ATOM 0 HB1 ALA A 70 125.316 18.903 0.493 1.00 1.00 H new ATOM 0 HB2 ALA A 70 125.665 19.774 -1.019 1.00 1.00 H new ATOM 0 HB3 ALA A 70 126.991 19.348 0.088 1.00 1.00 H new ATOM 1115 N GLY A 71 127.314 20.910 2.627 1.00 1.00 N ATOM 1116 CA GLY A 71 127.672 20.731 4.018 1.00 1.00 C ATOM 1117 C GLY A 71 127.045 21.820 4.858 1.00 1.00 C ATOM 1118 O GLY A 71 126.639 21.592 5.999 1.00 1.00 O ATOM 0 H GLY A 71 128.095 21.121 2.005 1.00 1.00 H new ATOM 0 HA2 GLY A 71 127.336 19.754 4.365 1.00 1.00 H new ATOM 0 HA3 GLY A 71 128.756 20.754 4.129 1.00 1.00 H new ATOM 1122 N VAL A 72 127.006 23.019 4.297 1.00 1.00 N ATOM 1123 CA VAL A 72 126.479 24.171 4.989 1.00 1.00 C ATOM 1124 C VAL A 72 124.949 24.290 4.895 1.00 1.00 C ATOM 1125 O VAL A 72 124.310 24.610 5.897 1.00 1.00 O ATOM 1126 CB VAL A 72 127.134 25.420 4.402 1.00 1.00 C ATOM 1127 CG1 VAL A 72 126.331 26.648 4.799 1.00 1.00 C ATOM 1128 CG2 VAL A 72 128.568 25.553 4.930 1.00 1.00 C ATOM 0 H VAL A 72 127.339 23.214 3.353 1.00 1.00 H new ATOM 0 HA VAL A 72 126.710 24.060 6.049 1.00 1.00 H new ATOM 0 HB VAL A 72 127.158 25.335 3.316 1.00 1.00 H new ATOM 0 HG11 VAL A 72 126.798 27.539 4.380 1.00 1.00 H new ATOM 0 HG12 VAL A 72 125.314 26.557 4.416 1.00 1.00 H new ATOM 0 HG13 VAL A 72 126.304 26.729 5.886 1.00 1.00 H new ATOM 0 HG21 VAL A 72 129.030 26.446 4.508 1.00 1.00 H new ATOM 0 HG22 VAL A 72 128.550 25.633 6.017 1.00 1.00 H new ATOM 0 HG23 VAL A 72 129.145 24.675 4.641 1.00 1.00 H new ATOM 1138 N HIS A 73 124.368 24.142 3.698 1.00 1.00 N ATOM 1139 CA HIS A 73 122.923 24.361 3.527 1.00 1.00 C ATOM 1140 C HIS A 73 122.054 23.115 3.308 1.00 1.00 C ATOM 1141 O HIS A 73 120.842 23.282 3.163 1.00 1.00 O ATOM 1142 CB HIS A 73 122.699 25.330 2.356 1.00 1.00 C ATOM 1143 CG HIS A 73 123.091 26.720 2.780 1.00 1.00 C ATOM 1144 ND1 HIS A 73 124.119 27.424 2.167 1.00 1.00 N ATOM 1145 CD2 HIS A 73 122.608 27.549 3.765 1.00 1.00 C ATOM 1146 CE1 HIS A 73 124.219 28.616 2.783 1.00 1.00 C ATOM 1147 NE2 HIS A 73 123.323 28.744 3.764 1.00 1.00 N ATOM 0 H HIS A 73 124.864 23.877 2.847 1.00 1.00 H new ATOM 0 HA HIS A 73 122.595 24.762 4.486 1.00 1.00 H new ATOM 0 HB2 HIS A 73 123.290 25.020 1.494 1.00 1.00 H new ATOM 0 HB3 HIS A 73 121.653 25.312 2.049 1.00 1.00 H new ATOM 0 HD2 HIS A 73 121.797 27.310 4.437 1.00 1.00 H new ATOM 0 HE1 HIS A 73 124.937 29.377 2.516 1.00 1.00 H new ATOM 0 HE2 HIS A 73 123.190 29.545 4.381 1.00 1.00 H new ATOM 1155 N LEU A 74 122.606 21.891 3.219 1.00 1.00 N ATOM 1156 CA LEU A 74 121.716 20.748 2.935 1.00 1.00 C ATOM 1157 C LEU A 74 121.996 19.465 3.706 1.00 1.00 C ATOM 1158 O LEU A 74 123.075 19.274 4.270 1.00 1.00 O ATOM 1159 CB LEU A 74 121.794 20.406 1.451 1.00 1.00 C ATOM 1160 CG LEU A 74 121.192 21.530 0.605 1.00 1.00 C ATOM 1161 CD1 LEU A 74 122.299 22.451 0.105 1.00 1.00 C ATOM 1162 CD2 LEU A 74 120.472 20.914 -0.591 1.00 1.00 C ATOM 0 H LEU A 74 123.596 21.673 3.331 1.00 1.00 H new ATOM 0 HA LEU A 74 120.733 21.091 3.257 1.00 1.00 H new ATOM 0 HB2 LEU A 74 122.833 20.245 1.164 1.00 1.00 H new ATOM 0 HB3 LEU A 74 121.262 19.474 1.259 1.00 1.00 H new ATOM 0 HG LEU A 74 120.492 22.107 1.209 1.00 1.00 H new ATOM 0 HD11 LEU A 74 121.864 23.249 -0.497 1.00 1.00 H new ATOM 0 HD12 LEU A 74 122.825 22.884 0.956 1.00 1.00 H new ATOM 0 HD13 LEU A 74 123.001 21.880 -0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 74 120.038 21.706 -1.202 1.00 1.00 H new ATOM 0 HD22 LEU A 74 121.182 20.342 -1.188 1.00 1.00 H new ATOM 0 HD23 LEU A 74 119.680 20.253 -0.238 1.00 1.00 H new ATOM 1174 N HIS A 75 121.025 18.552 3.627 1.00 1.00 N ATOM 1175 CA HIS A 75 121.143 17.222 4.203 1.00 1.00 C ATOM 1176 C HIS A 75 121.133 16.257 3.017 1.00 1.00 C ATOM 1177 O HIS A 75 120.203 16.296 2.211 1.00 1.00 O ATOM 1178 CB HIS A 75 119.963 16.933 5.134 1.00 1.00 C ATOM 1179 CG HIS A 75 120.213 17.572 6.471 1.00 1.00 C ATOM 1180 ND1 HIS A 75 121.386 17.369 7.182 1.00 1.00 N ATOM 1181 CD2 HIS A 75 119.447 18.411 7.241 1.00 1.00 C ATOM 1182 CE1 HIS A 75 121.292 18.073 8.325 1.00 1.00 C ATOM 1183 NE2 HIS A 75 120.131 18.725 8.413 1.00 1.00 N ATOM 0 H HIS A 75 120.134 18.721 3.159 1.00 1.00 H new ATOM 0 HA HIS A 75 122.050 17.122 4.799 1.00 1.00 H new ATOM 0 HB2 HIS A 75 119.041 17.320 4.701 1.00 1.00 H new ATOM 0 HB3 HIS A 75 119.833 15.857 5.251 1.00 1.00 H new ATOM 0 HD2 HIS A 75 118.464 18.773 6.978 1.00 1.00 H new ATOM 0 HE1 HIS A 75 122.063 18.106 9.080 1.00 1.00 H new ATOM 0 HE2 HIS A 75 119.813 19.324 9.175 1.00 1.00 H new ATOM 1191 N MET A 76 122.160 15.420 2.884 1.00 1.00 N ATOM 1192 CA MET A 76 122.226 14.496 1.746 1.00 1.00 C ATOM 1193 C MET A 76 121.997 13.048 2.162 1.00 1.00 C ATOM 1194 O MET A 76 122.510 12.584 3.181 1.00 1.00 O ATOM 1195 CB MET A 76 123.585 14.622 1.053 1.00 1.00 C ATOM 1196 CG MET A 76 123.735 16.027 0.445 1.00 1.00 C ATOM 1197 SD MET A 76 124.515 15.915 -1.190 1.00 1.00 S ATOM 1198 CE MET A 76 123.039 15.551 -2.174 1.00 1.00 C ATOM 0 H MET A 76 122.944 15.359 3.533 1.00 1.00 H new ATOM 0 HA MET A 76 121.426 14.771 1.058 1.00 1.00 H new ATOM 0 HB2 MET A 76 124.386 14.439 1.769 1.00 1.00 H new ATOM 0 HB3 MET A 76 123.676 13.867 0.272 1.00 1.00 H new ATOM 0 HG2 MET A 76 122.757 16.501 0.359 1.00 1.00 H new ATOM 0 HG3 MET A 76 124.337 16.654 1.102 1.00 1.00 H new ATOM 0 HE1 MET A 76 123.325 14.992 -3.065 1.00 1.00 H new ATOM 0 HE2 MET A 76 122.344 14.957 -1.581 1.00 1.00 H new ATOM 0 HE3 MET A 76 122.559 16.484 -2.469 1.00 1.00 H new ATOM 1208 N VAL A 77 121.232 12.341 1.335 1.00 1.00 N ATOM 1209 CA VAL A 77 120.930 10.940 1.573 1.00 1.00 C ATOM 1210 C VAL A 77 121.308 10.144 0.326 1.00 1.00 C ATOM 1211 O VAL A 77 120.982 10.543 -0.791 1.00 1.00 O ATOM 1212 CB VAL A 77 119.435 10.778 1.875 1.00 1.00 C ATOM 1213 CG1 VAL A 77 119.073 9.292 1.913 1.00 1.00 C ATOM 1214 CG2 VAL A 77 119.109 11.419 3.228 1.00 1.00 C ATOM 0 H VAL A 77 120.809 12.722 0.489 1.00 1.00 H new ATOM 0 HA VAL A 77 121.497 10.572 2.428 1.00 1.00 H new ATOM 0 HB VAL A 77 118.857 11.270 1.093 1.00 1.00 H new ATOM 0 HG11 VAL A 77 118.010 9.182 2.128 1.00 1.00 H new ATOM 0 HG12 VAL A 77 119.297 8.838 0.948 1.00 1.00 H new ATOM 0 HG13 VAL A 77 119.654 8.796 2.691 1.00 1.00 H new ATOM 0 HG21 VAL A 77 118.046 11.302 3.439 1.00 1.00 H new ATOM 0 HG22 VAL A 77 119.690 10.932 4.011 1.00 1.00 H new ATOM 0 HG23 VAL A 77 119.358 12.480 3.198 1.00 1.00 H new ATOM 1224 N GLU A 78 122.002 9.028 0.520 1.00 1.00 N ATOM 1225 CA GLU A 78 122.424 8.200 -0.608 1.00 1.00 C ATOM 1226 C GLU A 78 121.446 7.057 -0.827 1.00 1.00 C ATOM 1227 O GLU A 78 121.155 6.290 0.089 1.00 1.00 O ATOM 1228 CB GLU A 78 123.823 7.629 -0.346 1.00 1.00 C ATOM 1229 CG GLU A 78 124.302 6.845 -1.570 1.00 1.00 C ATOM 1230 CD GLU A 78 125.711 6.314 -1.324 1.00 1.00 C ATOM 1231 OE1 GLU A 78 126.147 6.357 -0.187 1.00 1.00 O ATOM 1232 OE2 GLU A 78 126.331 5.873 -2.277 1.00 1.00 O ATOM 0 H GLU A 78 122.283 8.677 1.436 1.00 1.00 H new ATOM 0 HA GLU A 78 122.446 8.824 -1.501 1.00 1.00 H new ATOM 0 HB2 GLU A 78 124.520 8.437 -0.125 1.00 1.00 H new ATOM 0 HB3 GLU A 78 123.802 6.978 0.528 1.00 1.00 H new ATOM 0 HG2 GLU A 78 123.622 6.018 -1.773 1.00 1.00 H new ATOM 0 HG3 GLU A 78 124.294 7.487 -2.451 1.00 1.00 H new ATOM 1239 N VAL A 79 120.959 6.939 -2.059 1.00 1.00 N ATOM 1240 CA VAL A 79 120.030 5.880 -2.413 1.00 1.00 C ATOM 1241 C VAL A 79 120.535 5.183 -3.678 1.00 1.00 C ATOM 1242 O VAL A 79 120.381 5.692 -4.788 1.00 1.00 O ATOM 1243 CB VAL A 79 118.627 6.462 -2.672 1.00 1.00 C ATOM 1244 CG1 VAL A 79 117.574 5.367 -2.507 1.00 1.00 C ATOM 1245 CG2 VAL A 79 118.318 7.600 -1.683 1.00 1.00 C ATOM 0 H VAL A 79 121.195 7.567 -2.827 1.00 1.00 H new ATOM 0 HA VAL A 79 119.965 5.167 -1.591 1.00 1.00 H new ATOM 0 HB VAL A 79 118.604 6.855 -3.689 1.00 1.00 H new ATOM 0 HG11 VAL A 79 116.584 5.784 -2.691 1.00 1.00 H new ATOM 0 HG12 VAL A 79 117.768 4.565 -3.219 1.00 1.00 H new ATOM 0 HG13 VAL A 79 117.618 4.970 -1.493 1.00 1.00 H new ATOM 0 HG21 VAL A 79 117.323 7.996 -1.884 1.00 1.00 H new ATOM 0 HG22 VAL A 79 118.357 7.217 -0.663 1.00 1.00 H new ATOM 0 HG23 VAL A 79 119.055 8.394 -1.800 1.00 1.00 H new ATOM 1255 N ASP A 80 121.246 4.074 -3.476 1.00 1.00 N ATOM 1256 CA ASP A 80 121.892 3.387 -4.592 1.00 1.00 C ATOM 1257 C ASP A 80 121.237 2.080 -5.017 1.00 1.00 C ATOM 1258 O ASP A 80 120.719 1.343 -4.175 1.00 1.00 O ATOM 1259 CB ASP A 80 123.352 3.110 -4.229 1.00 1.00 C ATOM 1260 CG ASP A 80 124.128 4.421 -4.166 1.00 1.00 C ATOM 1261 OD1 ASP A 80 123.556 5.440 -4.517 1.00 1.00 O ATOM 1262 OD2 ASP A 80 125.284 4.386 -3.777 1.00 1.00 O ATOM 0 H ASP A 80 121.388 3.638 -2.565 1.00 1.00 H new ATOM 0 HA ASP A 80 121.795 4.059 -5.444 1.00 1.00 H new ATOM 0 HB2 ASP A 80 123.406 2.598 -3.268 1.00 1.00 H new ATOM 0 HB3 ASP A 80 123.800 2.447 -4.969 1.00 1.00 H new ATOM 1267 N PHE A 81 121.306 1.766 -6.307 1.00 1.00 N ATOM 1268 CA PHE A 81 120.760 0.510 -6.810 1.00 1.00 C ATOM 1269 C PHE A 81 121.853 -0.218 -7.589 1.00 1.00 C ATOM 1270 O PHE A 81 121.843 -0.231 -8.818 1.00 1.00 O ATOM 1271 CB PHE A 81 119.565 0.787 -7.726 1.00 1.00 C ATOM 1272 CG PHE A 81 118.324 0.946 -6.883 1.00 1.00 C ATOM 1273 CD1 PHE A 81 118.150 2.102 -6.111 1.00 1.00 C ATOM 1274 CD2 PHE A 81 117.350 -0.060 -6.866 1.00 1.00 C ATOM 1275 CE1 PHE A 81 117.004 2.252 -5.323 1.00 1.00 C ATOM 1276 CE2 PHE A 81 116.203 0.090 -6.077 1.00 1.00 C ATOM 1277 CZ PHE A 81 116.032 1.246 -5.305 1.00 1.00 C ATOM 0 H PHE A 81 121.732 2.360 -7.019 1.00 1.00 H new ATOM 0 HA PHE A 81 120.422 -0.106 -5.977 1.00 1.00 H new ATOM 0 HB2 PHE A 81 119.741 1.690 -8.311 1.00 1.00 H new ATOM 0 HB3 PHE A 81 119.436 -0.031 -8.434 1.00 1.00 H new ATOM 0 HD1 PHE A 81 118.901 2.878 -6.124 1.00 1.00 H new ATOM 0 HD2 PHE A 81 117.483 -0.951 -7.461 1.00 1.00 H new ATOM 0 HE1 PHE A 81 116.870 3.144 -4.729 1.00 1.00 H new ATOM 0 HE2 PHE A 81 115.451 -0.685 -6.064 1.00 1.00 H new ATOM 0 HZ PHE A 81 115.148 1.361 -4.695 1.00 1.00 H new ATOM 1287 N PRO A 82 122.809 -0.796 -6.897 1.00 1.00 N ATOM 1288 CA PRO A 82 123.947 -1.502 -7.543 1.00 1.00 C ATOM 1289 C PRO A 82 123.573 -2.848 -8.151 1.00 1.00 C ATOM 1290 O PRO A 82 122.572 -3.459 -7.774 1.00 1.00 O ATOM 1291 CB PRO A 82 124.975 -1.665 -6.423 1.00 1.00 C ATOM 1292 CG PRO A 82 124.213 -1.587 -5.141 1.00 1.00 C ATOM 1293 CD PRO A 82 122.904 -0.840 -5.425 1.00 1.00 C ATOM 0 HA PRO A 82 124.322 -0.932 -8.393 1.00 1.00 H new ATOM 0 HB2 PRO A 82 125.496 -2.619 -6.509 1.00 1.00 H new ATOM 0 HB3 PRO A 82 125.732 -0.883 -6.473 1.00 1.00 H new ATOM 0 HG2 PRO A 82 124.008 -2.586 -4.756 1.00 1.00 H new ATOM 0 HG3 PRO A 82 124.795 -1.065 -4.381 1.00 1.00 H new ATOM 0 HD2 PRO A 82 122.050 -1.358 -4.988 1.00 1.00 H new ATOM 0 HD3 PRO A 82 122.920 0.163 -4.999 1.00 1.00 H new ATOM 1301 N GLN A 83 124.416 -3.321 -9.060 1.00 1.00 N ATOM 1302 CA GLN A 83 124.194 -4.623 -9.677 1.00 1.00 C ATOM 1303 C GLN A 83 124.489 -5.705 -8.659 1.00 1.00 C ATOM 1304 O GLN A 83 123.772 -6.699 -8.550 1.00 1.00 O ATOM 1305 CB GLN A 83 125.118 -4.821 -10.882 1.00 1.00 C ATOM 1306 CG GLN A 83 124.764 -3.832 -11.983 1.00 1.00 C ATOM 1307 CD GLN A 83 123.346 -4.094 -12.480 1.00 1.00 C ATOM 1308 OE1 GLN A 83 122.995 -5.237 -12.766 1.00 1.00 O ATOM 1309 NE2 GLN A 83 122.504 -3.102 -12.596 1.00 1.00 N ATOM 0 H GLN A 83 125.250 -2.830 -9.384 1.00 1.00 H new ATOM 0 HA GLN A 83 123.159 -4.677 -10.013 1.00 1.00 H new ATOM 0 HB2 GLN A 83 126.156 -4.684 -10.580 1.00 1.00 H new ATOM 0 HB3 GLN A 83 125.027 -5.841 -11.256 1.00 1.00 H new ATOM 0 HG2 GLN A 83 124.844 -2.812 -11.607 1.00 1.00 H new ATOM 0 HG3 GLN A 83 125.471 -3.924 -12.808 1.00 1.00 H new ATOM 0 HE21 GLN A 83 122.797 -2.154 -12.358 1.00 1.00 H new ATOM 0 HE22 GLN A 83 121.554 -3.275 -12.924 1.00 1.00 H new ATOM 1318 N LYS A 84 125.534 -5.466 -7.885 1.00 1.00 N ATOM 1319 CA LYS A 84 125.916 -6.368 -6.825 1.00 1.00 C ATOM 1320 C LYS A 84 125.426 -5.762 -5.524 1.00 1.00 C ATOM 1321 O LYS A 84 126.023 -4.846 -4.960 1.00 1.00 O ATOM 1322 CB LYS A 84 127.427 -6.542 -6.788 1.00 1.00 C ATOM 1323 CG LYS A 84 127.765 -7.975 -6.377 1.00 1.00 C ATOM 1324 CD LYS A 84 129.272 -8.169 -6.443 1.00 1.00 C ATOM 1325 CE LYS A 84 129.627 -9.579 -5.971 1.00 1.00 C ATOM 1326 NZ LYS A 84 131.103 -9.785 -6.054 1.00 1.00 N ATOM 0 H LYS A 84 126.134 -4.646 -7.977 1.00 1.00 H new ATOM 0 HA LYS A 84 125.477 -7.353 -6.985 1.00 1.00 H new ATOM 0 HB2 LYS A 84 127.853 -6.323 -7.767 1.00 1.00 H new ATOM 0 HB3 LYS A 84 127.868 -5.837 -6.084 1.00 1.00 H new ATOM 0 HG2 LYS A 84 127.404 -8.172 -5.367 1.00 1.00 H new ATOM 0 HG3 LYS A 84 127.265 -8.684 -7.038 1.00 1.00 H new ATOM 0 HD2 LYS A 84 129.624 -8.016 -7.463 1.00 1.00 H new ATOM 0 HD3 LYS A 84 129.772 -7.429 -5.819 1.00 1.00 H new ATOM 0 HE2 LYS A 84 129.288 -9.725 -4.946 1.00 1.00 H new ATOM 0 HE3 LYS A 84 129.113 -10.318 -6.585 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 131.338 -10.745 -5.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 131.416 -9.664 -7.038 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 131.585 -9.089 -5.450 1.00 1.00 H new ATOM 1340 N ASN A 85 124.297 -6.280 -5.105 1.00 1.00 N ATOM 1341 CA ASN A 85 123.625 -5.808 -3.899 1.00 1.00 C ATOM 1342 C ASN A 85 124.088 -6.528 -2.630 1.00 1.00 C ATOM 1343 O ASN A 85 124.065 -7.753 -2.525 1.00 1.00 O ATOM 1344 CB ASN A 85 122.118 -6.000 -4.061 1.00 1.00 C ATOM 1345 CG ASN A 85 121.558 -4.959 -5.025 1.00 1.00 C ATOM 1346 OD1 ASN A 85 122.080 -3.850 -5.114 1.00 1.00 O ATOM 1347 ND2 ASN A 85 120.518 -5.248 -5.755 1.00 1.00 N ATOM 0 H ASN A 85 123.812 -7.039 -5.583 1.00 1.00 H new ATOM 0 HA ASN A 85 123.881 -4.755 -3.780 1.00 1.00 H new ATOM 0 HB2 ASN A 85 121.909 -7.002 -4.435 1.00 1.00 H new ATOM 0 HB3 ASN A 85 121.626 -5.912 -3.092 1.00 1.00 H new ATOM 0 HD21 ASN A 85 120.138 -4.554 -6.399 1.00 1.00 H new ATOM 0 HD22 ASN A 85 120.084 -6.168 -5.682 1.00 1.00 H new ATOM 1354 N HIS A 86 124.509 -5.699 -1.680 1.00 1.00 N ATOM 1355 CA HIS A 86 124.991 -6.206 -0.396 1.00 1.00 C ATOM 1356 C HIS A 86 124.359 -5.439 0.759 1.00 1.00 C ATOM 1357 O HIS A 86 124.839 -5.510 1.892 1.00 1.00 O ATOM 1358 CB HIS A 86 126.509 -6.058 -0.321 1.00 1.00 C ATOM 1359 CG HIS A 86 127.146 -6.921 -1.371 1.00 1.00 C ATOM 1360 ND1 HIS A 86 127.038 -8.301 -1.354 1.00 1.00 N ATOM 1361 CD2 HIS A 86 127.908 -6.615 -2.471 1.00 1.00 C ATOM 1362 CE1 HIS A 86 127.719 -8.772 -2.414 1.00 1.00 C ATOM 1363 NE2 HIS A 86 128.272 -7.786 -3.127 1.00 1.00 N ATOM 0 H HIS A 86 124.527 -4.683 -1.771 1.00 1.00 H new ATOM 0 HA HIS A 86 124.714 -7.257 -0.317 1.00 1.00 H new ATOM 0 HB2 HIS A 86 126.792 -5.016 -0.470 1.00 1.00 H new ATOM 0 HB3 HIS A 86 126.865 -6.346 0.668 1.00 1.00 H new ATOM 0 HD1 HIS A 86 126.534 -8.858 -0.664 1.00 1.00 H new ATOM 0 HD2 HIS A 86 128.183 -5.617 -2.780 1.00 1.00 H new ATOM 0 HE1 HIS A 86 127.808 -9.820 -2.659 1.00 1.00 H new ATOM 1371 N GLN A 87 123.296 -4.702 0.480 1.00 1.00 N ATOM 1372 CA GLN A 87 122.627 -3.928 1.516 1.00 1.00 C ATOM 1373 C GLN A 87 121.552 -4.775 2.212 1.00 1.00 C ATOM 1374 O GLN A 87 121.029 -5.724 1.625 1.00 1.00 O ATOM 1375 CB GLN A 87 121.999 -2.686 0.888 1.00 1.00 C ATOM 1376 CG GLN A 87 122.952 -1.500 1.029 1.00 1.00 C ATOM 1377 CD GLN A 87 122.568 -0.419 0.028 1.00 1.00 C ATOM 1378 OE1 GLN A 87 123.389 0.435 -0.312 1.00 1.00 O ATOM 1379 NE2 GLN A 87 121.359 -0.401 -0.463 1.00 1.00 N ATOM 0 H GLN A 87 122.879 -4.623 -0.448 1.00 1.00 H new ATOM 0 HA GLN A 87 123.358 -3.626 2.266 1.00 1.00 H new ATOM 0 HB2 GLN A 87 121.783 -2.868 -0.165 1.00 1.00 H new ATOM 0 HB3 GLN A 87 121.049 -2.462 1.374 1.00 1.00 H new ATOM 0 HG2 GLN A 87 122.909 -1.103 2.043 1.00 1.00 H new ATOM 0 HG3 GLN A 87 123.979 -1.822 0.856 1.00 1.00 H new ATOM 0 HE21 GLN A 87 120.683 -1.110 -0.179 1.00 1.00 H new ATOM 0 HE22 GLN A 87 121.090 0.322 -1.131 1.00 1.00 H new ATOM 1388 N PRO A 88 121.226 -4.463 3.445 1.00 1.00 N ATOM 1389 CA PRO A 88 120.205 -5.227 4.232 1.00 1.00 C ATOM 1390 C PRO A 88 118.787 -5.067 3.691 1.00 1.00 C ATOM 1391 O PRO A 88 118.466 -4.080 3.024 1.00 1.00 O ATOM 1392 CB PRO A 88 120.326 -4.648 5.644 1.00 1.00 C ATOM 1393 CG PRO A 88 120.875 -3.276 5.453 1.00 1.00 C ATOM 1394 CD PRO A 88 121.784 -3.347 4.228 1.00 1.00 C ATOM 0 HA PRO A 88 120.387 -6.301 4.186 1.00 1.00 H new ATOM 0 HB2 PRO A 88 119.357 -4.619 6.143 1.00 1.00 H new ATOM 0 HB3 PRO A 88 120.986 -5.254 6.264 1.00 1.00 H new ATOM 0 HG2 PRO A 88 120.073 -2.554 5.301 1.00 1.00 H new ATOM 0 HG3 PRO A 88 121.432 -2.954 6.333 1.00 1.00 H new ATOM 0 HD2 PRO A 88 121.769 -2.415 3.664 1.00 1.00 H new ATOM 0 HD3 PRO A 88 122.821 -3.533 4.509 1.00 1.00 H new ATOM 1402 N GLU A 89 117.950 -6.069 3.952 1.00 1.00 N ATOM 1403 CA GLU A 89 116.575 -6.071 3.468 1.00 1.00 C ATOM 1404 C GLU A 89 115.828 -4.790 3.843 1.00 1.00 C ATOM 1405 O GLU A 89 115.145 -4.212 3.002 1.00 1.00 O ATOM 1406 CB GLU A 89 115.847 -7.293 4.036 1.00 1.00 C ATOM 1407 CG GLU A 89 116.450 -8.563 3.428 1.00 1.00 C ATOM 1408 CD GLU A 89 115.872 -9.801 4.101 1.00 1.00 C ATOM 1409 OE1 GLU A 89 115.104 -9.641 5.036 1.00 1.00 O ATOM 1410 OE2 GLU A 89 116.207 -10.894 3.675 1.00 1.00 O ATOM 0 H GLU A 89 118.203 -6.892 4.498 1.00 1.00 H new ATOM 0 HA GLU A 89 116.598 -6.118 2.379 1.00 1.00 H new ATOM 0 HB2 GLU A 89 115.940 -7.315 5.122 1.00 1.00 H new ATOM 0 HB3 GLU A 89 114.783 -7.236 3.808 1.00 1.00 H new ATOM 0 HG2 GLU A 89 116.245 -8.594 2.358 1.00 1.00 H new ATOM 0 HG3 GLU A 89 117.534 -8.550 3.545 1.00 1.00 H new ATOM 1417 N GLU A 90 115.929 -4.349 5.095 1.00 1.00 N ATOM 1418 CA GLU A 90 115.215 -3.146 5.524 1.00 1.00 C ATOM 1419 C GLU A 90 115.612 -1.923 4.692 1.00 1.00 C ATOM 1420 O GLU A 90 114.760 -1.103 4.345 1.00 1.00 O ATOM 1421 CB GLU A 90 115.505 -2.877 7.006 1.00 1.00 C ATOM 1422 CG GLU A 90 114.874 -3.968 7.877 1.00 1.00 C ATOM 1423 CD GLU A 90 115.230 -3.722 9.340 1.00 1.00 C ATOM 1424 OE1 GLU A 90 115.844 -2.700 9.613 1.00 1.00 O ATOM 1425 OE2 GLU A 90 114.890 -4.558 10.163 1.00 1.00 O ATOM 0 H GLU A 90 116.488 -4.797 5.821 1.00 1.00 H new ATOM 0 HA GLU A 90 114.149 -3.319 5.376 1.00 1.00 H new ATOM 0 HB2 GLU A 90 116.582 -2.846 7.173 1.00 1.00 H new ATOM 0 HB3 GLU A 90 115.110 -1.902 7.290 1.00 1.00 H new ATOM 0 HG2 GLU A 90 113.791 -3.968 7.750 1.00 1.00 H new ATOM 0 HG3 GLU A 90 115.232 -4.949 7.565 1.00 1.00 H new ATOM 1432 N GLN A 91 116.897 -1.802 4.374 1.00 1.00 N ATOM 1433 CA GLN A 91 117.374 -0.663 3.580 1.00 1.00 C ATOM 1434 C GLN A 91 116.862 -0.755 2.149 1.00 1.00 C ATOM 1435 O GLN A 91 116.494 0.260 1.553 1.00 1.00 O ATOM 1436 CB GLN A 91 118.905 -0.630 3.567 1.00 1.00 C ATOM 1437 CG GLN A 91 119.395 0.546 2.713 1.00 1.00 C ATOM 1438 CD GLN A 91 120.908 0.681 2.844 1.00 1.00 C ATOM 1439 OE1 GLN A 91 121.483 0.266 3.849 1.00 1.00 O ATOM 1440 NE2 GLN A 91 121.590 1.234 1.880 1.00 1.00 N ATOM 0 H GLN A 91 117.622 -2.466 4.647 1.00 1.00 H new ATOM 0 HA GLN A 91 116.994 0.251 4.037 1.00 1.00 H new ATOM 0 HB2 GLN A 91 119.284 -0.534 4.585 1.00 1.00 H new ATOM 0 HB3 GLN A 91 119.294 -1.567 3.169 1.00 1.00 H new ATOM 0 HG2 GLN A 91 119.123 0.388 1.669 1.00 1.00 H new ATOM 0 HG3 GLN A 91 118.909 1.468 3.033 1.00 1.00 H new ATOM 0 HE21 GLN A 91 121.110 1.577 1.048 1.00 1.00 H new ATOM 0 HE22 GLN A 91 122.603 1.323 1.958 1.00 1.00 H new ATOM 1449 N ARG A 92 116.846 -1.956 1.595 1.00 1.00 N ATOM 1450 CA ARG A 92 116.385 -2.140 0.226 1.00 1.00 C ATOM 1451 C ARG A 92 114.901 -1.823 0.099 1.00 1.00 C ATOM 1452 O ARG A 92 114.485 -1.173 -0.852 1.00 1.00 O ATOM 1453 CB ARG A 92 116.630 -3.576 -0.221 1.00 1.00 C ATOM 1454 CG ARG A 92 118.134 -3.813 -0.349 1.00 1.00 C ATOM 1455 CD ARG A 92 118.388 -5.267 -0.744 1.00 1.00 C ATOM 1456 NE ARG A 92 117.837 -5.531 -2.069 1.00 1.00 N ATOM 1457 CZ ARG A 92 117.810 -6.758 -2.577 1.00 1.00 C ATOM 1458 NH1 ARG A 92 118.243 -7.768 -1.874 1.00 1.00 N ATOM 1459 NH2 ARG A 92 117.340 -6.958 -3.777 1.00 1.00 N ATOM 0 H ARG A 92 117.143 -2.811 2.065 1.00 1.00 H new ATOM 0 HA ARG A 92 116.946 -1.454 -0.409 1.00 1.00 H new ATOM 0 HB2 ARG A 92 116.200 -4.272 0.499 1.00 1.00 H new ATOM 0 HB3 ARG A 92 116.138 -3.761 -1.176 1.00 1.00 H new ATOM 0 HG2 ARG A 92 118.556 -3.142 -1.097 1.00 1.00 H new ATOM 0 HG3 ARG A 92 118.630 -3.589 0.596 1.00 1.00 H new ATOM 0 HD2 ARG A 92 119.459 -5.471 -0.740 1.00 1.00 H new ATOM 0 HD3 ARG A 92 117.933 -5.935 -0.013 1.00 1.00 H new ATOM 0 HE ARG A 92 117.464 -4.756 -2.617 1.00 1.00 H new ATOM 0 HH11 ARG A 92 118.603 -7.616 -0.932 1.00 1.00 H new ATOM 0 HH12 ARG A 92 118.221 -8.709 -2.266 1.00 1.00 H new ATOM 0 HH21 ARG A 92 116.993 -6.172 -4.326 1.00 1.00 H new ATOM 0 HH22 ARG A 92 117.320 -7.901 -4.166 1.00 1.00 H new ATOM 1473 N GLN A 93 114.104 -2.275 1.060 1.00 1.00 N ATOM 1474 CA GLN A 93 112.671 -2.022 1.015 1.00 1.00 C ATOM 1475 C GLN A 93 112.405 -0.525 1.085 1.00 1.00 C ATOM 1476 O GLN A 93 111.593 0.011 0.330 1.00 1.00 O ATOM 1477 CB GLN A 93 111.983 -2.727 2.184 1.00 1.00 C ATOM 1478 CG GLN A 93 112.130 -4.242 2.027 1.00 1.00 C ATOM 1479 CD GLN A 93 111.268 -4.741 0.866 1.00 1.00 C ATOM 1480 OE1 GLN A 93 110.162 -4.246 0.660 1.00 1.00 O ATOM 1481 NE2 GLN A 93 111.706 -5.702 0.096 1.00 1.00 N ATOM 0 H GLN A 93 114.420 -2.811 1.868 1.00 1.00 H new ATOM 0 HA GLN A 93 112.271 -2.410 0.078 1.00 1.00 H new ATOM 0 HB2 GLN A 93 112.424 -2.404 3.127 1.00 1.00 H new ATOM 0 HB3 GLN A 93 110.928 -2.455 2.216 1.00 1.00 H new ATOM 0 HG2 GLN A 93 113.175 -4.496 1.849 1.00 1.00 H new ATOM 0 HG3 GLN A 93 111.833 -4.741 2.950 1.00 1.00 H new ATOM 0 HE21 GLN A 93 112.624 -6.114 0.266 1.00 1.00 H new ATOM 0 HE22 GLN A 93 111.130 -6.040 -0.675 1.00 1.00 H new ATOM 1490 N LYS A 94 113.100 0.147 1.994 1.00 1.00 N ATOM 1491 CA LYS A 94 112.940 1.581 2.158 1.00 1.00 C ATOM 1492 C LYS A 94 113.330 2.305 0.874 1.00 1.00 C ATOM 1493 O LYS A 94 112.641 3.221 0.428 1.00 1.00 O ATOM 1494 CB LYS A 94 113.825 2.053 3.313 1.00 1.00 C ATOM 1495 CG LYS A 94 113.539 3.524 3.613 1.00 1.00 C ATOM 1496 CD LYS A 94 114.310 3.963 4.864 1.00 1.00 C ATOM 1497 CE LYS A 94 115.789 4.181 4.526 1.00 1.00 C ATOM 1498 NZ LYS A 94 116.461 4.860 5.669 1.00 1.00 N ATOM 0 H LYS A 94 113.778 -0.279 2.626 1.00 1.00 H new ATOM 0 HA LYS A 94 111.897 1.806 2.379 1.00 1.00 H new ATOM 0 HB2 LYS A 94 113.636 1.448 4.200 1.00 1.00 H new ATOM 0 HB3 LYS A 94 114.876 1.922 3.056 1.00 1.00 H new ATOM 0 HG2 LYS A 94 113.829 4.140 2.762 1.00 1.00 H new ATOM 0 HG3 LYS A 94 112.470 3.672 3.764 1.00 1.00 H new ATOM 0 HD2 LYS A 94 113.881 4.883 5.260 1.00 1.00 H new ATOM 0 HD3 LYS A 94 114.215 3.206 5.643 1.00 1.00 H new ATOM 0 HE2 LYS A 94 116.272 3.225 4.321 1.00 1.00 H new ATOM 0 HE3 LYS A 94 115.882 4.785 3.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 117.221 5.473 5.311 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 115.767 5.436 6.187 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 116.865 4.146 6.308 1.00 1.00 H new ATOM 1512 N ASN A 95 114.449 1.888 0.292 1.00 1.00 N ATOM 1513 CA ASN A 95 114.936 2.501 -0.934 1.00 1.00 C ATOM 1514 C ASN A 95 113.918 2.339 -2.064 1.00 1.00 C ATOM 1515 O ASN A 95 113.693 3.279 -2.825 1.00 1.00 O ATOM 1516 CB ASN A 95 116.280 1.873 -1.324 1.00 1.00 C ATOM 1517 CG ASN A 95 117.354 2.292 -0.322 1.00 1.00 C ATOM 1518 OD1 ASN A 95 118.449 1.730 -0.314 1.00 1.00 O ATOM 1519 ND2 ASN A 95 117.104 3.247 0.535 1.00 1.00 N ATOM 0 H ASN A 95 115.032 1.131 0.649 1.00 1.00 H new ATOM 0 HA ASN A 95 115.077 3.568 -0.763 1.00 1.00 H new ATOM 0 HB2 ASN A 95 116.192 0.787 -1.345 1.00 1.00 H new ATOM 0 HB3 ASN A 95 116.562 2.189 -2.328 1.00 1.00 H new ATOM 0 HD21 ASN A 95 117.816 3.526 1.210 1.00 1.00 H new ATOM 0 HD22 ASN A 95 116.197 3.713 0.529 1.00 1.00 H new ATOM 1526 N GLN A 96 113.285 1.172 -2.174 1.00 1.00 N ATOM 1527 CA GLN A 96 112.291 0.961 -3.218 1.00 1.00 C ATOM 1528 C GLN A 96 111.080 1.846 -2.966 1.00 1.00 C ATOM 1529 O GLN A 96 110.502 2.399 -3.901 1.00 1.00 O ATOM 1530 CB GLN A 96 111.859 -0.507 -3.254 1.00 1.00 C ATOM 1531 CG GLN A 96 113.033 -1.377 -3.702 1.00 1.00 C ATOM 1532 CD GLN A 96 112.651 -2.847 -3.588 1.00 1.00 C ATOM 1533 OE1 GLN A 96 112.340 -3.325 -2.498 1.00 1.00 O ATOM 1534 NE2 GLN A 96 112.657 -3.598 -4.655 1.00 1.00 N ATOM 0 H GLN A 96 113.441 0.371 -1.562 1.00 1.00 H new ATOM 0 HA GLN A 96 112.734 1.221 -4.179 1.00 1.00 H new ATOM 0 HB2 GLN A 96 111.517 -0.820 -2.267 1.00 1.00 H new ATOM 0 HB3 GLN A 96 111.019 -0.633 -3.937 1.00 1.00 H new ATOM 0 HG2 GLN A 96 113.303 -1.140 -4.731 1.00 1.00 H new ATOM 0 HG3 GLN A 96 113.908 -1.169 -3.087 1.00 1.00 H new ATOM 0 HE21 GLN A 96 112.915 -3.199 -5.558 1.00 1.00 H new ATOM 0 HE22 GLN A 96 112.403 -4.584 -4.586 1.00 1.00 H new ATOM 1543 N GLU A 97 110.694 1.980 -1.698 1.00 1.00 N ATOM 1544 CA GLU A 97 109.546 2.805 -1.360 1.00 1.00 C ATOM 1545 C GLU A 97 109.830 4.270 -1.695 1.00 1.00 C ATOM 1546 O GLU A 97 108.975 4.968 -2.236 1.00 1.00 O ATOM 1547 CB GLU A 97 109.194 2.655 0.125 1.00 1.00 C ATOM 1548 CG GLU A 97 107.911 3.436 0.433 1.00 1.00 C ATOM 1549 CD GLU A 97 107.530 3.265 1.901 1.00 1.00 C ATOM 1550 OE1 GLU A 97 108.348 2.758 2.653 1.00 1.00 O ATOM 1551 OE2 GLU A 97 106.425 3.645 2.252 1.00 1.00 O ATOM 0 H GLU A 97 111.153 1.535 -0.903 1.00 1.00 H new ATOM 0 HA GLU A 97 108.693 2.471 -1.951 1.00 1.00 H new ATOM 0 HB2 GLU A 97 109.058 1.602 0.372 1.00 1.00 H new ATOM 0 HB3 GLU A 97 110.013 3.024 0.742 1.00 1.00 H new ATOM 0 HG2 GLU A 97 108.057 4.493 0.208 1.00 1.00 H new ATOM 0 HG3 GLU A 97 107.100 3.083 -0.204 1.00 1.00 H new ATOM 1558 N LEU A 98 111.042 4.729 -1.372 1.00 1.00 N ATOM 1559 CA LEU A 98 111.445 6.107 -1.640 1.00 1.00 C ATOM 1560 C LEU A 98 111.520 6.354 -3.148 1.00 1.00 C ATOM 1561 O LEU A 98 111.105 7.406 -3.641 1.00 1.00 O ATOM 1562 CB LEU A 98 112.812 6.350 -0.996 1.00 1.00 C ATOM 1563 CG LEU A 98 113.062 7.843 -0.772 1.00 1.00 C ATOM 1564 CD1 LEU A 98 112.077 8.407 0.258 1.00 1.00 C ATOM 1565 CD2 LEU A 98 114.486 8.013 -0.244 1.00 1.00 C ATOM 0 H LEU A 98 111.762 4.162 -0.923 1.00 1.00 H new ATOM 0 HA LEU A 98 110.711 6.794 -1.220 1.00 1.00 H new ATOM 0 HB2 LEU A 98 112.867 5.823 -0.044 1.00 1.00 H new ATOM 0 HB3 LEU A 98 113.595 5.939 -1.633 1.00 1.00 H new ATOM 0 HG LEU A 98 112.926 8.378 -1.712 1.00 1.00 H new ATOM 0 HD11 LEU A 98 112.271 9.470 0.403 1.00 1.00 H new ATOM 0 HD12 LEU A 98 111.057 8.270 -0.101 1.00 1.00 H new ATOM 0 HD13 LEU A 98 112.201 7.883 1.205 1.00 1.00 H new ATOM 0 HD21 LEU A 98 114.688 9.071 -0.076 1.00 1.00 H new ATOM 0 HD22 LEU A 98 114.593 7.470 0.695 1.00 1.00 H new ATOM 0 HD23 LEU A 98 115.194 7.620 -0.974 1.00 1.00 H new ATOM 1577 N LYS A 99 112.063 5.373 -3.866 1.00 1.00 N ATOM 1578 CA LYS A 99 112.206 5.472 -5.311 1.00 1.00 C ATOM 1579 C LYS A 99 110.834 5.613 -5.934 1.00 1.00 C ATOM 1580 O LYS A 99 110.635 6.390 -6.867 1.00 1.00 O ATOM 1581 CB LYS A 99 112.884 4.201 -5.841 1.00 1.00 C ATOM 1582 CG LYS A 99 113.462 4.433 -7.243 1.00 1.00 C ATOM 1583 CD LYS A 99 114.214 3.169 -7.688 1.00 1.00 C ATOM 1584 CE LYS A 99 114.772 3.350 -9.104 1.00 1.00 C ATOM 1585 NZ LYS A 99 115.527 2.123 -9.500 1.00 1.00 N ATOM 0 H LYS A 99 112.411 4.501 -3.467 1.00 1.00 H new ATOM 0 HA LYS A 99 112.815 6.340 -5.566 1.00 1.00 H new ATOM 0 HB2 LYS A 99 113.680 3.898 -5.161 1.00 1.00 H new ATOM 0 HB3 LYS A 99 112.162 3.385 -5.871 1.00 1.00 H new ATOM 0 HG2 LYS A 99 112.662 4.663 -7.947 1.00 1.00 H new ATOM 0 HG3 LYS A 99 114.136 5.289 -7.236 1.00 1.00 H new ATOM 0 HD2 LYS A 99 115.028 2.959 -6.994 1.00 1.00 H new ATOM 0 HD3 LYS A 99 113.543 2.311 -7.662 1.00 1.00 H new ATOM 0 HE2 LYS A 99 113.959 3.533 -9.807 1.00 1.00 H new ATOM 0 HE3 LYS A 99 115.427 4.221 -9.140 1.00 1.00 H new ATOM 0 HZ1 LYS A 99 115.907 2.244 -10.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 99 116.311 1.968 -8.835 1.00 1.00 H new ATOM 0 HZ3 LYS A 99 114.889 1.302 -9.480 1.00 1.00 H new ATOM 1599 N ALA A 100 109.886 4.859 -5.404 1.00 1.00 N ATOM 1600 CA ALA A 100 108.530 4.905 -5.906 1.00 1.00 C ATOM 1601 C ALA A 100 107.814 6.165 -5.433 1.00 1.00 C ATOM 1602 O ALA A 100 107.021 6.760 -6.164 1.00 1.00 O ATOM 1603 CB ALA A 100 107.776 3.682 -5.417 1.00 1.00 C ATOM 0 H ALA A 100 110.033 4.211 -4.630 1.00 1.00 H new ATOM 0 HA ALA A 100 108.562 4.917 -6.995 1.00 1.00 H new ATOM 0 HB1 ALA A 100 106.753 3.711 -5.792 1.00 1.00 H new ATOM 0 HB2 ALA A 100 108.270 2.781 -5.780 1.00 1.00 H new ATOM 0 HB3 ALA A 100 107.763 3.675 -4.327 1.00 1.00 H new ATOM 1609 N GLN A 101 108.074 6.544 -4.189 1.00 1.00 N ATOM 1610 CA GLN A 101 107.434 7.693 -3.591 1.00 1.00 C ATOM 1611 C GLN A 101 107.640 8.961 -4.390 1.00 1.00 C ATOM 1612 O GLN A 101 106.698 9.721 -4.617 1.00 1.00 O ATOM 1613 CB GLN A 101 107.992 7.887 -2.184 1.00 1.00 C ATOM 1614 CG GLN A 101 107.320 9.085 -1.531 1.00 1.00 C ATOM 1615 CD GLN A 101 107.691 9.149 -0.057 1.00 1.00 C ATOM 1616 OE1 GLN A 101 108.127 8.151 0.515 1.00 1.00 O ATOM 1617 NE2 GLN A 101 107.555 10.270 0.595 1.00 1.00 N ATOM 0 H GLN A 101 108.731 6.063 -3.575 1.00 1.00 H new ATOM 0 HA GLN A 101 106.361 7.500 -3.568 1.00 1.00 H new ATOM 0 HB2 GLN A 101 107.821 6.991 -1.587 1.00 1.00 H new ATOM 0 HB3 GLN A 101 109.070 8.041 -2.227 1.00 1.00 H new ATOM 0 HG2 GLN A 101 107.627 10.003 -2.032 1.00 1.00 H new ATOM 0 HG3 GLN A 101 106.238 9.010 -1.639 1.00 1.00 H new ATOM 0 HE21 GLN A 101 107.193 11.096 0.119 1.00 1.00 H new ATOM 0 HE22 GLN A 101 107.810 10.321 1.581 1.00 1.00 H new ATOM 1626 N TYR A 102 108.877 9.210 -4.773 1.00 1.00 N ATOM 1627 CA TYR A 102 109.184 10.419 -5.499 1.00 1.00 C ATOM 1628 C TYR A 102 109.144 10.212 -6.994 1.00 1.00 C ATOM 1629 O TYR A 102 109.592 11.057 -7.767 1.00 1.00 O ATOM 1630 CB TYR A 102 110.561 10.965 -5.083 1.00 1.00 C ATOM 1631 CG TYR A 102 110.440 11.718 -3.768 1.00 1.00 C ATOM 1632 CD1 TYR A 102 109.582 12.829 -3.659 1.00 1.00 C ATOM 1633 CD2 TYR A 102 111.161 11.284 -2.642 1.00 1.00 C ATOM 1634 CE1 TYR A 102 109.441 13.486 -2.435 1.00 1.00 C ATOM 1635 CE2 TYR A 102 111.021 11.951 -1.423 1.00 1.00 C ATOM 1636 CZ TYR A 102 110.157 13.046 -1.317 1.00 1.00 C ATOM 1637 OH TYR A 102 110.007 13.690 -0.109 1.00 1.00 O ATOM 0 H TYR A 102 109.674 8.598 -4.595 1.00 1.00 H new ATOM 0 HA TYR A 102 108.414 11.147 -5.244 1.00 1.00 H new ATOM 0 HB2 TYR A 102 111.271 10.145 -4.979 1.00 1.00 H new ATOM 0 HB3 TYR A 102 110.949 11.627 -5.857 1.00 1.00 H new ATOM 0 HD1 TYR A 102 109.033 13.173 -4.523 1.00 1.00 H new ATOM 0 HD2 TYR A 102 111.823 10.435 -2.720 1.00 1.00 H new ATOM 0 HE1 TYR A 102 108.778 14.335 -2.351 1.00 1.00 H new ATOM 0 HE2 TYR A 102 111.581 11.621 -0.561 1.00 1.00 H new ATOM 0 HH TYR A 102 109.828 13.030 0.593 1.00 1.00 H new ATOM 1647 N LYS A 103 108.568 9.079 -7.399 1.00 1.00 N ATOM 1648 CA LYS A 103 108.429 8.757 -8.805 1.00 1.00 C ATOM 1649 C LYS A 103 109.764 8.881 -9.504 1.00 1.00 C ATOM 1650 O LYS A 103 109.878 9.550 -10.530 1.00 1.00 O ATOM 1651 CB LYS A 103 107.409 9.687 -9.467 1.00 1.00 C ATOM 1652 CG LYS A 103 106.026 9.437 -8.864 1.00 1.00 C ATOM 1653 CD LYS A 103 105.002 10.333 -9.555 1.00 1.00 C ATOM 1654 CE LYS A 103 103.628 10.112 -8.926 1.00 1.00 C ATOM 1655 NZ LYS A 103 102.642 11.018 -9.573 1.00 1.00 N ATOM 0 H LYS A 103 108.192 8.373 -6.766 1.00 1.00 H new ATOM 0 HA LYS A 103 108.077 7.729 -8.890 1.00 1.00 H new ATOM 0 HB2 LYS A 103 107.699 10.727 -9.319 1.00 1.00 H new ATOM 0 HB3 LYS A 103 107.386 9.512 -10.543 1.00 1.00 H new ATOM 0 HG2 LYS A 103 105.749 8.390 -8.984 1.00 1.00 H new ATOM 0 HG3 LYS A 103 106.041 9.642 -7.794 1.00 1.00 H new ATOM 0 HD2 LYS A 103 105.294 11.379 -9.459 1.00 1.00 H new ATOM 0 HD3 LYS A 103 104.967 10.108 -10.621 1.00 1.00 H new ATOM 0 HE2 LYS A 103 103.321 9.073 -9.050 1.00 1.00 H new ATOM 0 HE3 LYS A 103 103.670 10.307 -7.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 103 101.704 10.871 -9.148 1.00 1.00 H new ATOM 0 HZ2 LYS A 103 102.935 12.006 -9.433 1.00 1.00 H new ATOM 0 HZ3 LYS A 103 102.597 10.811 -10.591 1.00 1.00 H new ATOM 1669 N VAL A 104 110.780 8.240 -8.943 1.00 1.00 N ATOM 1670 CA VAL A 104 112.101 8.296 -9.524 1.00 1.00 C ATOM 1671 C VAL A 104 112.249 7.173 -10.540 1.00 1.00 C ATOM 1672 O VAL A 104 112.065 6.001 -10.214 1.00 1.00 O ATOM 1673 CB VAL A 104 113.163 8.183 -8.424 1.00 1.00 C ATOM 1674 CG1 VAL A 104 114.558 8.256 -9.044 1.00 1.00 C ATOM 1675 CG2 VAL A 104 112.996 9.346 -7.439 1.00 1.00 C ATOM 0 H VAL A 104 110.710 7.681 -8.093 1.00 1.00 H new ATOM 0 HA VAL A 104 112.241 9.251 -10.031 1.00 1.00 H new ATOM 0 HB VAL A 104 113.043 7.232 -7.905 1.00 1.00 H new ATOM 0 HG11 VAL A 104 115.310 8.175 -8.259 1.00 1.00 H new ATOM 0 HG12 VAL A 104 114.684 7.438 -9.753 1.00 1.00 H new ATOM 0 HG13 VAL A 104 114.676 9.207 -9.563 1.00 1.00 H new ATOM 0 HG21 VAL A 104 113.749 9.270 -6.655 1.00 1.00 H new ATOM 0 HG22 VAL A 104 113.117 10.291 -7.968 1.00 1.00 H new ATOM 0 HG23 VAL A 104 112.002 9.305 -6.993 1.00 1.00 H new ATOM 1685 N THR A 105 112.558 7.545 -11.778 1.00 1.00 N ATOM 1686 CA THR A 105 112.703 6.581 -12.848 1.00 1.00 C ATOM 1687 C THR A 105 114.103 6.619 -13.436 1.00 1.00 C ATOM 1688 O THR A 105 114.762 5.592 -13.588 1.00 1.00 O ATOM 1689 CB THR A 105 111.678 6.892 -13.933 1.00 1.00 C ATOM 1690 OG1 THR A 105 111.908 8.200 -14.439 1.00 1.00 O ATOM 1691 CG2 THR A 105 110.271 6.813 -13.339 1.00 1.00 C ATOM 0 H THR A 105 112.712 8.513 -12.060 1.00 1.00 H new ATOM 0 HA THR A 105 112.536 5.581 -12.446 1.00 1.00 H new ATOM 0 HB THR A 105 111.772 6.168 -14.743 1.00 1.00 H new ATOM 0 HG1 THR A 105 111.251 8.401 -15.138 1.00 1.00 H new ATOM 0 HG21 THR A 105 109.536 7.035 -14.113 1.00 1.00 H new ATOM 0 HG22 THR A 105 110.096 5.810 -12.950 1.00 1.00 H new ATOM 0 HG23 THR A 105 110.176 7.538 -12.530 1.00 1.00 H new ATOM 1699 N GLY A 106 114.542 7.822 -13.780 1.00 1.00 N ATOM 1700 CA GLY A 106 115.853 8.001 -14.374 1.00 1.00 C ATOM 1701 C GLY A 106 116.895 8.414 -13.349 1.00 1.00 C ATOM 1702 O GLY A 106 116.600 9.105 -12.374 1.00 1.00 O ATOM 0 H GLY A 106 114.010 8.683 -13.657 1.00 1.00 H new ATOM 0 HA2 GLY A 106 116.164 7.072 -14.852 1.00 1.00 H new ATOM 0 HA3 GLY A 106 115.795 8.758 -15.156 1.00 1.00 H new ATOM 1706 N PHE A 107 118.120 7.975 -13.597 1.00 1.00 N ATOM 1707 CA PHE A 107 119.252 8.276 -12.734 1.00 1.00 C ATOM 1708 C PHE A 107 120.403 8.838 -13.589 1.00 1.00 C ATOM 1709 O PHE A 107 120.547 8.453 -14.748 1.00 1.00 O ATOM 1710 CB PHE A 107 119.712 6.991 -12.043 1.00 1.00 C ATOM 1711 CG PHE A 107 119.189 5.803 -12.816 1.00 1.00 C ATOM 1712 CD1 PHE A 107 119.844 5.380 -13.978 1.00 1.00 C ATOM 1713 CD2 PHE A 107 118.044 5.131 -12.371 1.00 1.00 C ATOM 1714 CE1 PHE A 107 119.354 4.283 -14.699 1.00 1.00 C ATOM 1715 CE2 PHE A 107 117.554 4.032 -13.092 1.00 1.00 C ATOM 1716 CZ PHE A 107 118.210 3.609 -14.256 1.00 1.00 C ATOM 0 H PHE A 107 118.357 7.399 -14.404 1.00 1.00 H new ATOM 0 HA PHE A 107 118.961 9.011 -11.983 1.00 1.00 H new ATOM 0 HB2 PHE A 107 120.800 6.959 -11.994 1.00 1.00 H new ATOM 0 HB3 PHE A 107 119.346 6.963 -11.017 1.00 1.00 H new ATOM 0 HD1 PHE A 107 120.727 5.899 -14.319 1.00 1.00 H new ATOM 0 HD2 PHE A 107 117.539 5.458 -11.474 1.00 1.00 H new ATOM 0 HE1 PHE A 107 119.859 3.958 -15.596 1.00 1.00 H new ATOM 0 HE2 PHE A 107 116.671 3.512 -12.750 1.00 1.00 H new ATOM 0 HZ PHE A 107 117.833 2.763 -14.811 1.00 1.00 H new ATOM 1726 N PRO A 108 121.226 9.718 -13.061 1.00 1.00 N ATOM 1727 CA PRO A 108 121.121 10.231 -11.665 1.00 1.00 C ATOM 1728 C PRO A 108 120.027 11.282 -11.528 1.00 1.00 C ATOM 1729 O PRO A 108 119.817 12.094 -12.430 1.00 1.00 O ATOM 1730 CB PRO A 108 122.480 10.867 -11.425 1.00 1.00 C ATOM 1731 CG PRO A 108 122.883 11.371 -12.765 1.00 1.00 C ATOM 1732 CD PRO A 108 122.371 10.331 -13.763 1.00 1.00 C ATOM 0 HA PRO A 108 120.867 9.443 -10.956 1.00 1.00 H new ATOM 0 HB2 PRO A 108 122.419 11.675 -10.696 1.00 1.00 H new ATOM 0 HB3 PRO A 108 123.197 10.143 -11.039 1.00 1.00 H new ATOM 0 HG2 PRO A 108 122.449 12.351 -12.962 1.00 1.00 H new ATOM 0 HG3 PRO A 108 123.965 11.482 -12.834 1.00 1.00 H new ATOM 0 HD2 PRO A 108 122.066 10.792 -14.703 1.00 1.00 H new ATOM 0 HD3 PRO A 108 123.137 9.593 -14.003 1.00 1.00 H new ATOM 1740 N GLU A 109 119.348 11.273 -10.392 1.00 1.00 N ATOM 1741 CA GLU A 109 118.296 12.241 -10.138 1.00 1.00 C ATOM 1742 C GLU A 109 118.406 12.706 -8.693 1.00 1.00 C ATOM 1743 O GLU A 109 118.471 11.887 -7.778 1.00 1.00 O ATOM 1744 CB GLU A 109 116.924 11.604 -10.385 1.00 1.00 C ATOM 1745 CG GLU A 109 115.816 12.648 -10.212 1.00 1.00 C ATOM 1746 CD GLU A 109 114.457 11.992 -10.437 1.00 1.00 C ATOM 1747 OE1 GLU A 109 114.412 10.774 -10.489 1.00 1.00 O ATOM 1748 OE2 GLU A 109 113.482 12.717 -10.551 1.00 1.00 O ATOM 0 H GLU A 109 119.506 10.608 -9.635 1.00 1.00 H new ATOM 0 HA GLU A 109 118.404 13.092 -10.810 1.00 1.00 H new ATOM 0 HB2 GLU A 109 116.885 11.185 -11.391 1.00 1.00 H new ATOM 0 HB3 GLU A 109 116.768 10.779 -9.690 1.00 1.00 H new ATOM 0 HG2 GLU A 109 115.862 13.080 -9.212 1.00 1.00 H new ATOM 0 HG3 GLU A 109 115.958 13.465 -10.919 1.00 1.00 H new ATOM 1755 N LEU A 110 118.437 14.012 -8.489 1.00 1.00 N ATOM 1756 CA LEU A 110 118.540 14.579 -7.152 1.00 1.00 C ATOM 1757 C LEU A 110 117.261 15.351 -6.876 1.00 1.00 C ATOM 1758 O LEU A 110 116.914 16.268 -7.615 1.00 1.00 O ATOM 1759 CB LEU A 110 119.762 15.515 -7.094 1.00 1.00 C ATOM 1760 CG LEU A 110 120.625 15.279 -5.834 1.00 1.00 C ATOM 1761 CD1 LEU A 110 122.026 15.857 -6.068 1.00 1.00 C ATOM 1762 CD2 LEU A 110 120.016 15.984 -4.620 1.00 1.00 C ATOM 0 H LEU A 110 118.392 14.705 -9.236 1.00 1.00 H new ATOM 0 HA LEU A 110 118.668 13.799 -6.401 1.00 1.00 H new ATOM 0 HB2 LEU A 110 120.374 15.365 -7.984 1.00 1.00 H new ATOM 0 HB3 LEU A 110 119.424 16.551 -7.111 1.00 1.00 H new ATOM 0 HG LEU A 110 120.671 14.207 -5.645 1.00 1.00 H new ATOM 0 HD11 LEU A 110 122.640 15.693 -5.182 1.00 1.00 H new ATOM 0 HD12 LEU A 110 122.485 15.363 -6.924 1.00 1.00 H new ATOM 0 HD13 LEU A 110 121.950 16.926 -6.264 1.00 1.00 H new ATOM 0 HD21 LEU A 110 120.640 15.804 -3.744 1.00 1.00 H new ATOM 0 HD22 LEU A 110 119.960 17.055 -4.812 1.00 1.00 H new ATOM 0 HD23 LEU A 110 119.014 15.595 -4.438 1.00 1.00 H new ATOM 1774 N VAL A 111 116.556 14.952 -5.824 1.00 1.00 N ATOM 1775 CA VAL A 111 115.295 15.589 -5.473 1.00 1.00 C ATOM 1776 C VAL A 111 115.387 16.288 -4.137 1.00 1.00 C ATOM 1777 O VAL A 111 115.827 15.700 -3.152 1.00 1.00 O ATOM 1778 CB VAL A 111 114.181 14.548 -5.418 1.00 1.00 C ATOM 1779 CG1 VAL A 111 113.752 14.179 -6.834 1.00 1.00 C ATOM 1780 CG2 VAL A 111 114.707 13.314 -4.712 1.00 1.00 C ATOM 0 H VAL A 111 116.836 14.193 -5.202 1.00 1.00 H new ATOM 0 HA VAL A 111 115.073 16.331 -6.240 1.00 1.00 H new ATOM 0 HB VAL A 111 113.323 14.951 -4.880 1.00 1.00 H new ATOM 0 HG11 VAL A 111 112.956 13.435 -6.791 1.00 1.00 H new ATOM 0 HG12 VAL A 111 113.389 15.069 -7.348 1.00 1.00 H new ATOM 0 HG13 VAL A 111 114.603 13.768 -7.377 1.00 1.00 H new ATOM 0 HG21 VAL A 111 113.922 12.560 -4.664 1.00 1.00 H new ATOM 0 HG22 VAL A 111 115.560 12.916 -5.262 1.00 1.00 H new ATOM 0 HG23 VAL A 111 115.018 13.578 -3.701 1.00 1.00 H new ATOM 1790 N PHE A 112 114.963 17.533 -4.100 1.00 1.00 N ATOM 1791 CA PHE A 112 115.003 18.304 -2.875 1.00 1.00 C ATOM 1792 C PHE A 112 113.646 18.310 -2.206 1.00 1.00 C ATOM 1793 O PHE A 112 112.642 18.653 -2.828 1.00 1.00 O ATOM 1794 CB PHE A 112 115.434 19.728 -3.197 1.00 1.00 C ATOM 1795 CG PHE A 112 116.783 19.665 -3.850 1.00 1.00 C ATOM 1796 CD1 PHE A 112 117.925 19.587 -3.056 1.00 1.00 C ATOM 1797 CD2 PHE A 112 116.887 19.653 -5.241 1.00 1.00 C ATOM 1798 CE1 PHE A 112 119.186 19.496 -3.657 1.00 1.00 C ATOM 1799 CE2 PHE A 112 118.144 19.567 -5.846 1.00 1.00 C ATOM 1800 CZ PHE A 112 119.294 19.486 -5.054 1.00 1.00 C ATOM 0 H PHE A 112 114.586 18.034 -4.905 1.00 1.00 H new ATOM 0 HA PHE A 112 115.718 17.850 -2.189 1.00 1.00 H new ATOM 0 HB2 PHE A 112 114.711 20.205 -3.859 1.00 1.00 H new ATOM 0 HB3 PHE A 112 115.478 20.328 -2.288 1.00 1.00 H new ATOM 0 HD1 PHE A 112 117.838 19.597 -1.980 1.00 1.00 H new ATOM 0 HD2 PHE A 112 115.997 19.710 -5.850 1.00 1.00 H new ATOM 0 HE1 PHE A 112 120.074 19.434 -3.045 1.00 1.00 H new ATOM 0 HE2 PHE A 112 118.227 19.563 -6.923 1.00 1.00 H new ATOM 0 HZ PHE A 112 120.266 19.416 -5.520 1.00 1.00 H new ATOM 1810 N ILE A 113 113.625 17.918 -0.936 1.00 1.00 N ATOM 1811 CA ILE A 113 112.385 17.887 -0.181 1.00 1.00 C ATOM 1812 C ILE A 113 112.553 18.577 1.151 1.00 1.00 C ATOM 1813 O ILE A 113 113.651 18.664 1.689 1.00 1.00 O ATOM 1814 CB ILE A 113 111.904 16.449 0.024 1.00 1.00 C ATOM 1815 CG1 ILE A 113 112.996 15.653 0.738 1.00 1.00 C ATOM 1816 CG2 ILE A 113 111.576 15.808 -1.329 1.00 1.00 C ATOM 1817 CD1 ILE A 113 112.497 14.241 1.038 1.00 1.00 C ATOM 0 H ILE A 113 114.449 17.620 -0.414 1.00 1.00 H new ATOM 0 HA ILE A 113 111.630 18.422 -0.757 1.00 1.00 H new ATOM 0 HB ILE A 113 111.000 16.448 0.633 1.00 1.00 H new ATOM 0 HG12 ILE A 113 113.891 15.608 0.117 1.00 1.00 H new ATOM 0 HG13 ILE A 113 113.276 16.154 1.665 1.00 1.00 H new ATOM 0 HG21 ILE A 113 111.234 14.785 -1.174 1.00 1.00 H new ATOM 0 HG22 ILE A 113 110.791 16.381 -1.823 1.00 1.00 H new ATOM 0 HG23 ILE A 113 112.469 15.801 -1.954 1.00 1.00 H new ATOM 0 HD11 ILE A 113 113.280 13.679 1.547 1.00 1.00 H new ATOM 0 HD12 ILE A 113 111.615 14.295 1.677 1.00 1.00 H new ATOM 0 HD13 ILE A 113 112.239 13.740 0.105 1.00 1.00 H new ATOM 1829 N ASP A 114 111.428 19.005 1.698 1.00 1.00 N ATOM 1830 CA ASP A 114 111.413 19.627 2.999 1.00 1.00 C ATOM 1831 C ASP A 114 111.192 18.536 4.016 1.00 1.00 C ATOM 1832 O ASP A 114 111.131 17.357 3.677 1.00 1.00 O ATOM 1833 CB ASP A 114 110.289 20.666 3.093 1.00 1.00 C ATOM 1834 CG ASP A 114 110.721 21.985 2.457 1.00 1.00 C ATOM 1835 OD1 ASP A 114 111.913 22.228 2.389 1.00 1.00 O ATOM 1836 OD2 ASP A 114 109.850 22.741 2.064 1.00 1.00 O ATOM 0 H ASP A 114 110.513 18.930 1.254 1.00 1.00 H new ATOM 0 HA ASP A 114 112.355 20.145 3.179 1.00 1.00 H new ATOM 0 HB2 ASP A 114 109.396 20.290 2.593 1.00 1.00 H new ATOM 0 HB3 ASP A 114 110.024 20.829 4.138 1.00 1.00 H new ATOM 1841 N ALA A 115 111.096 18.923 5.261 1.00 1.00 N ATOM 1842 CA ALA A 115 110.906 17.979 6.338 1.00 1.00 C ATOM 1843 C ALA A 115 109.503 17.382 6.305 1.00 1.00 C ATOM 1844 O ALA A 115 109.233 16.383 6.972 1.00 1.00 O ATOM 1845 CB ALA A 115 111.116 18.703 7.662 1.00 1.00 C ATOM 0 H ALA A 115 111.147 19.897 5.559 1.00 1.00 H new ATOM 0 HA ALA A 115 111.623 17.166 6.226 1.00 1.00 H new ATOM 0 HB1 ALA A 115 110.976 18.003 8.486 1.00 1.00 H new ATOM 0 HB2 ALA A 115 112.127 19.109 7.699 1.00 1.00 H new ATOM 0 HB3 ALA A 115 110.396 19.516 7.750 1.00 1.00 H new ATOM 1851 N GLU A 116 108.616 17.978 5.510 1.00 1.00 N ATOM 1852 CA GLU A 116 107.251 17.490 5.375 1.00 1.00 C ATOM 1853 C GLU A 116 107.122 16.647 4.105 1.00 1.00 C ATOM 1854 O GLU A 116 106.056 16.103 3.821 1.00 1.00 O ATOM 1855 CB GLU A 116 106.283 18.673 5.311 1.00 1.00 C ATOM 1856 CG GLU A 116 106.254 19.395 6.661 1.00 1.00 C ATOM 1857 CD GLU A 116 105.346 20.617 6.575 1.00 1.00 C ATOM 1858 OE1 GLU A 116 104.871 20.898 5.486 1.00 1.00 O ATOM 1859 OE2 GLU A 116 105.146 21.258 7.593 1.00 1.00 O ATOM 0 H GLU A 116 108.823 18.804 4.948 1.00 1.00 H new ATOM 0 HA GLU A 116 107.007 16.872 6.239 1.00 1.00 H new ATOM 0 HB2 GLU A 116 106.590 19.364 4.526 1.00 1.00 H new ATOM 0 HB3 GLU A 116 105.283 18.323 5.054 1.00 1.00 H new ATOM 0 HG2 GLU A 116 105.896 18.719 7.438 1.00 1.00 H new ATOM 0 HG3 GLU A 116 107.262 19.699 6.943 1.00 1.00 H new ATOM 1866 N GLY A 117 108.213 16.525 3.358 1.00 1.00 N ATOM 1867 CA GLY A 117 108.193 15.718 2.142 1.00 1.00 C ATOM 1868 C GLY A 117 107.717 16.505 0.929 1.00 1.00 C ATOM 1869 O GLY A 117 107.393 15.917 -0.104 1.00 1.00 O ATOM 0 H GLY A 117 109.109 16.966 3.567 1.00 1.00 H new ATOM 0 HA2 GLY A 117 109.194 15.331 1.950 1.00 1.00 H new ATOM 0 HA3 GLY A 117 107.541 14.857 2.291 1.00 1.00 H new ATOM 1873 N LYS A 118 107.691 17.829 1.030 1.00 1.00 N ATOM 1874 CA LYS A 118 107.272 18.643 -0.097 1.00 1.00 C ATOM 1875 C LYS A 118 108.439 18.826 -1.034 1.00 1.00 C ATOM 1876 O LYS A 118 109.546 19.074 -0.592 1.00 1.00 O ATOM 1877 CB LYS A 118 106.770 20.002 0.375 1.00 1.00 C ATOM 1878 CG LYS A 118 105.370 19.832 0.944 1.00 1.00 C ATOM 1879 CD LYS A 118 104.860 21.171 1.474 1.00 1.00 C ATOM 1880 CE LYS A 118 103.476 20.963 2.086 1.00 1.00 C ATOM 1881 NZ LYS A 118 102.953 22.257 2.603 1.00 1.00 N ATOM 0 H LYS A 118 107.951 18.351 1.867 1.00 1.00 H new ATOM 0 HA LYS A 118 106.456 18.139 -0.614 1.00 1.00 H new ATOM 0 HB2 LYS A 118 107.439 20.410 1.133 1.00 1.00 H new ATOM 0 HB3 LYS A 118 106.758 20.710 -0.454 1.00 1.00 H new ATOM 0 HG2 LYS A 118 104.698 19.456 0.173 1.00 1.00 H new ATOM 0 HG3 LYS A 118 105.381 19.094 1.746 1.00 1.00 H new ATOM 0 HD2 LYS A 118 105.547 21.568 2.221 1.00 1.00 H new ATOM 0 HD3 LYS A 118 104.810 21.902 0.667 1.00 1.00 H new ATOM 0 HE2 LYS A 118 102.795 20.558 1.338 1.00 1.00 H new ATOM 0 HE3 LYS A 118 103.532 20.234 2.894 1.00 1.00 H new ATOM 0 HZ1 LYS A 118 102.011 22.110 3.018 1.00 1.00 H new ATOM 0 HZ2 LYS A 118 103.598 22.626 3.330 1.00 1.00 H new ATOM 0 HZ3 LYS A 118 102.884 22.940 1.822 1.00 1.00 H new ATOM 1895 N GLN A 119 108.185 18.697 -2.325 1.00 1.00 N ATOM 1896 CA GLN A 119 109.228 18.833 -3.323 1.00 1.00 C ATOM 1897 C GLN A 119 109.536 20.294 -3.606 1.00 1.00 C ATOM 1898 O GLN A 119 108.652 21.065 -3.978 1.00 1.00 O ATOM 1899 CB GLN A 119 108.781 18.115 -4.605 1.00 1.00 C ATOM 1900 CG GLN A 119 109.354 18.819 -5.834 1.00 1.00 C ATOM 1901 CD GLN A 119 109.177 17.948 -7.071 1.00 1.00 C ATOM 1902 OE1 GLN A 119 108.907 16.753 -6.957 1.00 1.00 O ATOM 1903 NE2 GLN A 119 109.315 18.480 -8.254 1.00 1.00 N ATOM 0 H GLN A 119 107.260 18.497 -2.706 1.00 1.00 H new ATOM 0 HA GLN A 119 110.144 18.379 -2.946 1.00 1.00 H new ATOM 0 HB2 GLN A 119 109.114 17.077 -4.584 1.00 1.00 H new ATOM 0 HB3 GLN A 119 107.693 18.100 -4.661 1.00 1.00 H new ATOM 0 HG2 GLN A 119 108.853 19.776 -5.980 1.00 1.00 H new ATOM 0 HG3 GLN A 119 110.412 19.033 -5.679 1.00 1.00 H new ATOM 0 HE21 GLN A 119 109.539 19.471 -8.345 1.00 1.00 H new ATOM 0 HE22 GLN A 119 109.199 17.905 -9.088 1.00 1.00 H new ATOM 1912 N LEU A 120 110.800 20.667 -3.432 1.00 1.00 N ATOM 1913 CA LEU A 120 111.213 22.038 -3.679 1.00 1.00 C ATOM 1914 C LEU A 120 111.828 22.159 -5.062 1.00 1.00 C ATOM 1915 O LEU A 120 111.682 23.190 -5.720 1.00 1.00 O ATOM 1916 CB LEU A 120 112.251 22.502 -2.639 1.00 1.00 C ATOM 1917 CG LEU A 120 112.193 21.616 -1.394 1.00 1.00 C ATOM 1918 CD1 LEU A 120 113.288 22.013 -0.411 1.00 1.00 C ATOM 1919 CD2 LEU A 120 110.848 21.770 -0.700 1.00 1.00 C ATOM 0 H LEU A 120 111.547 20.044 -3.124 1.00 1.00 H new ATOM 0 HA LEU A 120 110.326 22.667 -3.605 1.00 1.00 H new ATOM 0 HB2 LEU A 120 113.250 22.466 -3.072 1.00 1.00 H new ATOM 0 HB3 LEU A 120 112.060 23.539 -2.364 1.00 1.00 H new ATOM 0 HG LEU A 120 112.333 20.582 -1.709 1.00 1.00 H new ATOM 0 HD11 LEU A 120 113.235 21.374 0.470 1.00 1.00 H new ATOM 0 HD12 LEU A 120 114.262 21.897 -0.885 1.00 1.00 H new ATOM 0 HD13 LEU A 120 113.151 23.053 -0.114 1.00 1.00 H new ATOM 0 HD21 LEU A 120 110.820 21.134 0.185 1.00 1.00 H new ATOM 0 HD22 LEU A 120 110.708 22.810 -0.404 1.00 1.00 H new ATOM 0 HD23 LEU A 120 110.051 21.477 -1.383 1.00 1.00 H new ATOM 1931 N ALA A 121 112.496 21.094 -5.510 1.00 1.00 N ATOM 1932 CA ALA A 121 113.113 21.089 -6.828 1.00 1.00 C ATOM 1933 C ALA A 121 113.733 19.726 -7.145 1.00 1.00 C ATOM 1934 O ALA A 121 113.888 18.885 -6.260 1.00 1.00 O ATOM 1935 CB ALA A 121 114.202 22.153 -6.908 1.00 1.00 C ATOM 0 H ALA A 121 112.620 20.232 -4.980 1.00 1.00 H new ATOM 0 HA ALA A 121 112.330 21.302 -7.556 1.00 1.00 H new ATOM 0 HB1 ALA A 121 114.654 22.137 -7.900 1.00 1.00 H new ATOM 0 HB2 ALA A 121 113.766 23.135 -6.724 1.00 1.00 H new ATOM 0 HB3 ALA A 121 114.966 21.949 -6.158 1.00 1.00 H new ATOM 1941 N ARG A 122 114.079 19.515 -8.410 1.00 1.00 N ATOM 1942 CA ARG A 122 114.687 18.252 -8.822 1.00 1.00 C ATOM 1943 C ARG A 122 115.646 18.476 -9.991 1.00 1.00 C ATOM 1944 O ARG A 122 115.353 19.241 -10.911 1.00 1.00 O ATOM 1945 CB ARG A 122 113.597 17.244 -9.206 1.00 1.00 C ATOM 1946 CG ARG A 122 112.805 17.752 -10.411 1.00 1.00 C ATOM 1947 CD ARG A 122 111.717 16.734 -10.753 1.00 1.00 C ATOM 1948 NE ARG A 122 110.944 17.204 -11.893 1.00 1.00 N ATOM 1949 CZ ARG A 122 110.151 16.388 -12.577 1.00 1.00 C ATOM 1950 NH1 ARG A 122 110.070 15.124 -12.258 1.00 1.00 N ATOM 1951 NH2 ARG A 122 109.456 16.853 -13.578 1.00 1.00 N ATOM 0 H ARG A 122 113.952 20.193 -9.162 1.00 1.00 H new ATOM 0 HA ARG A 122 115.257 17.848 -7.985 1.00 1.00 H new ATOM 0 HB2 ARG A 122 114.049 16.280 -9.440 1.00 1.00 H new ATOM 0 HB3 ARG A 122 112.926 17.085 -8.362 1.00 1.00 H new ATOM 0 HG2 ARG A 122 112.358 18.721 -10.187 1.00 1.00 H new ATOM 0 HG3 ARG A 122 113.468 17.896 -11.264 1.00 1.00 H new ATOM 0 HD2 ARG A 122 112.168 15.768 -10.981 1.00 1.00 H new ATOM 0 HD3 ARG A 122 111.062 16.585 -9.894 1.00 1.00 H new ATOM 0 HE ARG A 122 111.013 18.182 -12.173 1.00 1.00 H new ATOM 0 HH11 ARG A 122 110.618 14.758 -11.479 1.00 1.00 H new ATOM 0 HH12 ARG A 122 109.459 14.503 -12.788 1.00 1.00 H new ATOM 0 HH21 ARG A 122 109.524 17.839 -13.832 1.00 1.00 H new ATOM 0 HH22 ARG A 122 108.845 16.231 -14.107 1.00 1.00 H new ATOM 1965 N MET A 123 116.788 17.782 -9.958 1.00 1.00 N ATOM 1966 CA MET A 123 117.766 17.897 -11.030 1.00 1.00 C ATOM 1967 C MET A 123 118.469 16.566 -11.288 1.00 1.00 C ATOM 1968 O MET A 123 118.505 15.686 -10.429 1.00 1.00 O ATOM 1969 CB MET A 123 118.838 18.926 -10.688 1.00 1.00 C ATOM 1970 CG MET A 123 118.207 20.274 -10.335 1.00 1.00 C ATOM 1971 SD MET A 123 119.476 21.556 -10.452 1.00 1.00 S ATOM 1972 CE MET A 123 120.194 21.298 -8.815 1.00 1.00 C ATOM 0 H MET A 123 117.051 17.143 -9.207 1.00 1.00 H new ATOM 0 HA MET A 123 117.215 18.206 -11.918 1.00 1.00 H new ATOM 0 HB2 MET A 123 119.436 18.569 -9.850 1.00 1.00 H new ATOM 0 HB3 MET A 123 119.515 19.047 -11.534 1.00 1.00 H new ATOM 0 HG2 MET A 123 117.383 20.495 -11.014 1.00 1.00 H new ATOM 0 HG3 MET A 123 117.791 20.245 -9.328 1.00 1.00 H new ATOM 0 HE1 MET A 123 121.261 21.520 -8.846 1.00 1.00 H new ATOM 0 HE2 MET A 123 119.707 21.957 -8.096 1.00 1.00 H new ATOM 0 HE3 MET A 123 120.048 20.261 -8.513 1.00 1.00 H new ATOM 1982 N GLY A 124 119.040 16.453 -12.475 1.00 1.00 N ATOM 1983 CA GLY A 124 119.766 15.250 -12.864 1.00 1.00 C ATOM 1984 C GLY A 124 121.199 15.605 -13.217 1.00 1.00 C ATOM 1985 O GLY A 124 121.795 16.492 -12.606 1.00 1.00 O ATOM 0 H GLY A 124 119.016 17.180 -13.190 1.00 1.00 H new ATOM 0 HA2 GLY A 124 119.751 14.526 -12.049 1.00 1.00 H new ATOM 0 HA3 GLY A 124 119.278 14.780 -13.717 1.00 1.00 H new ATOM 1989 N PHE A 125 121.738 14.947 -14.229 1.00 1.00 N ATOM 1990 CA PHE A 125 123.085 15.251 -14.667 1.00 1.00 C ATOM 1991 C PHE A 125 123.040 16.460 -15.584 1.00 1.00 C ATOM 1992 O PHE A 125 122.223 16.513 -16.503 1.00 1.00 O ATOM 1993 CB PHE A 125 123.690 14.068 -15.413 1.00 1.00 C ATOM 1994 CG PHE A 125 124.917 14.542 -16.145 1.00 1.00 C ATOM 1995 CD1 PHE A 125 126.062 14.907 -15.427 1.00 1.00 C ATOM 1996 CD2 PHE A 125 124.906 14.639 -17.541 1.00 1.00 C ATOM 1997 CE1 PHE A 125 127.197 15.360 -16.106 1.00 1.00 C ATOM 1998 CE2 PHE A 125 126.041 15.096 -18.219 1.00 1.00 C ATOM 1999 CZ PHE A 125 127.186 15.456 -17.500 1.00 1.00 C ATOM 0 H PHE A 125 121.270 14.209 -14.755 1.00 1.00 H new ATOM 0 HA PHE A 125 123.705 15.460 -13.795 1.00 1.00 H new ATOM 0 HB2 PHE A 125 123.949 13.272 -14.715 1.00 1.00 H new ATOM 0 HB3 PHE A 125 122.967 13.653 -16.115 1.00 1.00 H new ATOM 0 HD1 PHE A 125 126.069 14.839 -14.349 1.00 1.00 H new ATOM 0 HD2 PHE A 125 124.021 14.361 -18.095 1.00 1.00 H new ATOM 0 HE1 PHE A 125 128.083 15.636 -15.553 1.00 1.00 H new ATOM 0 HE2 PHE A 125 126.033 15.171 -19.296 1.00 1.00 H new ATOM 0 HZ PHE A 125 128.063 15.809 -18.023 1.00 1.00 H new ATOM 2009 N GLU A 126 123.903 17.433 -15.330 1.00 1.00 N ATOM 2010 CA GLU A 126 123.922 18.640 -16.140 1.00 1.00 C ATOM 2011 C GLU A 126 125.356 19.127 -16.359 1.00 1.00 C ATOM 2012 O GLU A 126 126.012 19.541 -15.404 1.00 1.00 O ATOM 2013 CB GLU A 126 123.145 19.749 -15.434 1.00 1.00 C ATOM 2014 CG GLU A 126 121.651 19.596 -15.723 1.00 1.00 C ATOM 2015 CD GLU A 126 121.323 20.201 -17.084 1.00 1.00 C ATOM 2016 OE1 GLU A 126 121.093 21.398 -17.135 1.00 1.00 O ATOM 2017 OE2 GLU A 126 121.311 19.460 -18.054 1.00 1.00 O ATOM 0 H GLU A 126 124.592 17.411 -14.578 1.00 1.00 H new ATOM 0 HA GLU A 126 123.466 18.405 -17.102 1.00 1.00 H new ATOM 0 HB2 GLU A 126 123.324 19.704 -14.360 1.00 1.00 H new ATOM 0 HB3 GLU A 126 123.493 20.724 -15.775 1.00 1.00 H new ATOM 0 HG2 GLU A 126 121.374 18.542 -15.707 1.00 1.00 H new ATOM 0 HG3 GLU A 126 121.068 20.090 -14.945 1.00 1.00 H new ATOM 2024 N PRO A 127 125.856 19.123 -17.572 1.00 1.00 N ATOM 2025 CA PRO A 127 127.230 19.620 -17.836 1.00 1.00 C ATOM 2026 C PRO A 127 127.419 21.023 -17.264 1.00 1.00 C ATOM 2027 O PRO A 127 126.456 21.774 -17.106 1.00 1.00 O ATOM 2028 CB PRO A 127 127.348 19.633 -19.364 1.00 1.00 C ATOM 2029 CG PRO A 127 126.284 18.717 -19.869 1.00 1.00 C ATOM 2030 CD PRO A 127 125.198 18.643 -18.800 1.00 1.00 C ATOM 0 HA PRO A 127 127.992 18.997 -17.368 1.00 1.00 H new ATOM 0 HB2 PRO A 127 127.213 20.641 -19.757 1.00 1.00 H new ATOM 0 HB3 PRO A 127 128.335 19.296 -19.682 1.00 1.00 H new ATOM 0 HG2 PRO A 127 125.873 19.087 -20.808 1.00 1.00 H new ATOM 0 HG3 PRO A 127 126.694 17.727 -20.069 1.00 1.00 H new ATOM 0 HD2 PRO A 127 124.342 19.265 -19.060 1.00 1.00 H new ATOM 0 HD3 PRO A 127 124.828 17.625 -18.680 1.00 1.00 H new ATOM 2038 N GLY A 128 128.663 21.358 -16.948 1.00 1.00 N ATOM 2039 CA GLY A 128 128.961 22.670 -16.381 1.00 1.00 C ATOM 2040 C GLY A 128 129.791 22.557 -15.116 1.00 1.00 C ATOM 2041 O GLY A 128 130.483 23.513 -14.763 1.00 1.00 O ATOM 0 H GLY A 128 129.473 20.750 -17.072 1.00 1.00 H new ATOM 0 HA2 GLY A 128 129.497 23.271 -17.116 1.00 1.00 H new ATOM 0 HA3 GLY A 128 128.030 23.192 -16.160 1.00 1.00 H new ATOM 2045 N GLY A 129 129.778 21.416 -14.438 1.00 1.00 N ATOM 2046 CA GLY A 129 130.594 21.266 -13.245 1.00 1.00 C ATOM 2047 C GLY A 129 129.845 21.578 -11.945 1.00 1.00 C ATOM 2048 O GLY A 129 128.652 21.877 -11.945 1.00 1.00 O ATOM 0 H GLY A 129 129.223 20.598 -14.689 1.00 1.00 H new ATOM 0 HA2 GLY A 129 130.972 20.245 -13.200 1.00 1.00 H new ATOM 0 HA3 GLY A 129 131.460 21.924 -13.322 1.00 1.00 H new ATOM 2052 N GLY A 130 130.567 21.416 -10.837 1.00 1.00 N ATOM 2053 CA GLY A 130 129.994 21.582 -9.500 1.00 1.00 C ATOM 2054 C GLY A 130 129.526 22.995 -9.162 1.00 1.00 C ATOM 2055 O GLY A 130 128.456 23.154 -8.584 1.00 1.00 O ATOM 0 H GLY A 130 131.556 21.168 -10.839 1.00 1.00 H new ATOM 0 HA2 GLY A 130 129.148 20.903 -9.398 1.00 1.00 H new ATOM 0 HA3 GLY A 130 130.738 21.277 -8.764 1.00 1.00 H new ATOM 2059 N ALA A 131 130.316 24.010 -9.494 1.00 1.00 N ATOM 2060 CA ALA A 131 129.940 25.382 -9.168 1.00 1.00 C ATOM 2061 C ALA A 131 128.632 25.753 -9.837 1.00 1.00 C ATOM 2062 O ALA A 131 127.755 26.356 -9.220 1.00 1.00 O ATOM 2063 CB ALA A 131 131.020 26.350 -9.647 1.00 1.00 C ATOM 0 H ALA A 131 131.207 23.913 -9.981 1.00 1.00 H new ATOM 0 HA ALA A 131 129.828 25.450 -8.086 1.00 1.00 H new ATOM 0 HB1 ALA A 131 130.730 27.371 -9.399 1.00 1.00 H new ATOM 0 HB2 ALA A 131 131.965 26.112 -9.158 1.00 1.00 H new ATOM 0 HB3 ALA A 131 131.138 26.259 -10.727 1.00 1.00 H new ATOM 2069 N ALA A 132 128.514 25.428 -11.104 1.00 1.00 N ATOM 2070 CA ALA A 132 127.318 25.767 -11.842 1.00 1.00 C ATOM 2071 C ALA A 132 126.089 25.053 -11.281 1.00 1.00 C ATOM 2072 O ALA A 132 124.990 25.612 -11.252 1.00 1.00 O ATOM 2073 CB ALA A 132 127.513 25.408 -13.311 1.00 1.00 C ATOM 0 H ALA A 132 129.225 24.933 -11.642 1.00 1.00 H new ATOM 0 HA ALA A 132 127.145 26.839 -11.744 1.00 1.00 H new ATOM 0 HB1 ALA A 132 126.613 25.662 -13.870 1.00 1.00 H new ATOM 0 HB2 ALA A 132 128.359 25.965 -13.713 1.00 1.00 H new ATOM 0 HB3 ALA A 132 127.707 24.339 -13.402 1.00 1.00 H new ATOM 2079 N TYR A 133 126.272 23.816 -10.842 1.00 1.00 N ATOM 2080 CA TYR A 133 125.174 23.035 -10.296 1.00 1.00 C ATOM 2081 C TYR A 133 124.610 23.682 -9.031 1.00 1.00 C ATOM 2082 O TYR A 133 123.394 23.716 -8.831 1.00 1.00 O ATOM 2083 CB TYR A 133 125.665 21.622 -9.988 1.00 1.00 C ATOM 2084 CG TYR A 133 124.508 20.752 -9.561 1.00 1.00 C ATOM 2085 CD1 TYR A 133 123.745 20.092 -10.531 1.00 1.00 C ATOM 2086 CD2 TYR A 133 124.206 20.594 -8.204 1.00 1.00 C ATOM 2087 CE1 TYR A 133 122.679 19.274 -10.146 1.00 1.00 C ATOM 2088 CE2 TYR A 133 123.139 19.773 -7.817 1.00 1.00 C ATOM 2089 CZ TYR A 133 122.376 19.113 -8.789 1.00 1.00 C ATOM 2090 OH TYR A 133 121.327 18.303 -8.409 1.00 1.00 O ATOM 0 H TYR A 133 127.170 23.333 -10.854 1.00 1.00 H new ATOM 0 HA TYR A 133 124.374 22.995 -11.035 1.00 1.00 H new ATOM 0 HB2 TYR A 133 126.145 21.195 -10.869 1.00 1.00 H new ATOM 0 HB3 TYR A 133 126.417 21.654 -9.199 1.00 1.00 H new ATOM 0 HD1 TYR A 133 123.980 20.215 -11.578 1.00 1.00 H new ATOM 0 HD2 TYR A 133 124.795 21.104 -7.456 1.00 1.00 H new ATOM 0 HE1 TYR A 133 122.089 18.766 -10.895 1.00 1.00 H new ATOM 0 HE2 TYR A 133 122.905 19.649 -6.770 1.00 1.00 H new ATOM 0 HH TYR A 133 121.612 17.366 -8.432 1.00 1.00 H new ATOM 2100 N VAL A 134 125.492 24.175 -8.162 1.00 1.00 N ATOM 2101 CA VAL A 134 125.042 24.785 -6.922 1.00 1.00 C ATOM 2102 C VAL A 134 124.229 26.042 -7.205 1.00 1.00 C ATOM 2103 O VAL A 134 123.258 26.321 -6.527 1.00 1.00 O ATOM 2104 CB VAL A 134 126.217 25.100 -5.985 1.00 1.00 C ATOM 2105 CG1 VAL A 134 127.376 24.147 -6.234 1.00 1.00 C ATOM 2106 CG2 VAL A 134 126.699 26.538 -6.165 1.00 1.00 C ATOM 0 H VAL A 134 126.503 24.163 -8.294 1.00 1.00 H new ATOM 0 HA VAL A 134 124.402 24.063 -6.415 1.00 1.00 H new ATOM 0 HB VAL A 134 125.859 24.974 -4.963 1.00 1.00 H new ATOM 0 HG11 VAL A 134 128.197 24.389 -5.559 1.00 1.00 H new ATOM 0 HG12 VAL A 134 127.049 23.122 -6.056 1.00 1.00 H new ATOM 0 HG13 VAL A 134 127.713 24.246 -7.266 1.00 1.00 H new ATOM 0 HG21 VAL A 134 127.531 26.730 -5.488 1.00 1.00 H new ATOM 0 HG22 VAL A 134 127.027 26.686 -7.194 1.00 1.00 H new ATOM 0 HG23 VAL A 134 125.883 27.226 -5.942 1.00 1.00 H new ATOM 2116 N SER A 135 124.616 26.818 -8.195 1.00 1.00 N ATOM 2117 CA SER A 135 123.862 28.022 -8.495 1.00 1.00 C ATOM 2118 C SER A 135 122.412 27.659 -8.835 1.00 1.00 C ATOM 2119 O SER A 135 121.469 28.337 -8.416 1.00 1.00 O ATOM 2120 CB SER A 135 124.504 28.763 -9.668 1.00 1.00 C ATOM 2121 OG SER A 135 123.769 29.950 -9.931 1.00 1.00 O ATOM 0 H SER A 135 125.425 26.647 -8.793 1.00 1.00 H new ATOM 0 HA SER A 135 123.869 28.672 -7.620 1.00 1.00 H new ATOM 0 HB2 SER A 135 125.541 29.007 -9.436 1.00 1.00 H new ATOM 0 HB3 SER A 135 124.517 28.126 -10.552 1.00 1.00 H new ATOM 0 HG SER A 135 124.179 30.429 -10.682 1.00 1.00 H new ATOM 2127 N LYS A 136 122.260 26.596 -9.619 1.00 1.00 N ATOM 2128 CA LYS A 136 120.940 26.143 -10.053 1.00 1.00 C ATOM 2129 C LYS A 136 120.067 25.677 -8.886 1.00 1.00 C ATOM 2130 O LYS A 136 118.876 25.985 -8.833 1.00 1.00 O ATOM 2131 CB LYS A 136 121.094 24.991 -11.050 1.00 1.00 C ATOM 2132 CG LYS A 136 121.712 25.510 -12.351 1.00 1.00 C ATOM 2133 CD LYS A 136 121.864 24.350 -13.339 1.00 1.00 C ATOM 2134 CE LYS A 136 122.419 24.871 -14.669 1.00 1.00 C ATOM 2135 NZ LYS A 136 123.896 25.024 -14.567 1.00 1.00 N ATOM 0 H LYS A 136 123.034 26.031 -9.968 1.00 1.00 H new ATOM 0 HA LYS A 136 120.446 26.995 -10.519 1.00 1.00 H new ATOM 0 HB2 LYS A 136 121.724 24.211 -10.623 1.00 1.00 H new ATOM 0 HB3 LYS A 136 120.122 24.541 -11.253 1.00 1.00 H new ATOM 0 HG2 LYS A 136 121.082 26.288 -12.781 1.00 1.00 H new ATOM 0 HG3 LYS A 136 122.684 25.961 -12.150 1.00 1.00 H new ATOM 0 HD2 LYS A 136 122.532 23.594 -12.927 1.00 1.00 H new ATOM 0 HD3 LYS A 136 120.899 23.869 -13.500 1.00 1.00 H new ATOM 0 HE2 LYS A 136 122.169 24.180 -15.474 1.00 1.00 H new ATOM 0 HE3 LYS A 136 121.960 25.828 -14.916 1.00 1.00 H new ATOM 0 HZ1 LYS A 136 124.272 25.378 -15.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 136 124.124 25.699 -13.809 1.00 1.00 H new ATOM 0 HZ3 LYS A 136 124.326 24.102 -14.350 1.00 1.00 H new ATOM 2149 N VAL A 137 120.657 24.928 -7.960 1.00 1.00 N ATOM 2150 CA VAL A 137 119.904 24.421 -6.819 1.00 1.00 C ATOM 2151 C VAL A 137 119.442 25.559 -5.909 1.00 1.00 C ATOM 2152 O VAL A 137 118.343 25.514 -5.362 1.00 1.00 O ATOM 2153 CB VAL A 137 120.738 23.384 -6.049 1.00 1.00 C ATOM 2154 CG1 VAL A 137 121.704 24.068 -5.115 1.00 1.00 C ATOM 2155 CG2 VAL A 137 119.815 22.488 -5.228 1.00 1.00 C ATOM 0 H VAL A 137 121.641 24.661 -7.976 1.00 1.00 H new ATOM 0 HA VAL A 137 119.007 23.926 -7.191 1.00 1.00 H new ATOM 0 HB VAL A 137 121.296 22.788 -6.772 1.00 1.00 H new ATOM 0 HG11 VAL A 137 122.285 23.318 -4.579 1.00 1.00 H new ATOM 0 HG12 VAL A 137 122.376 24.705 -5.690 1.00 1.00 H new ATOM 0 HG13 VAL A 137 121.150 24.676 -4.400 1.00 1.00 H new ATOM 0 HG21 VAL A 137 120.410 21.754 -4.684 1.00 1.00 H new ATOM 0 HG22 VAL A 137 119.253 23.097 -4.520 1.00 1.00 H new ATOM 0 HG23 VAL A 137 119.123 21.972 -5.893 1.00 1.00 H new ATOM 2165 N LYS A 138 120.298 26.557 -5.716 1.00 1.00 N ATOM 2166 CA LYS A 138 119.950 27.658 -4.826 1.00 1.00 C ATOM 2167 C LYS A 138 118.703 28.370 -5.316 1.00 1.00 C ATOM 2168 O LYS A 138 117.816 28.693 -4.521 1.00 1.00 O ATOM 2169 CB LYS A 138 121.101 28.661 -4.695 1.00 1.00 C ATOM 2170 CG LYS A 138 122.241 28.043 -3.885 1.00 1.00 C ATOM 2171 CD LYS A 138 123.232 29.135 -3.463 1.00 1.00 C ATOM 2172 CE LYS A 138 123.936 29.711 -4.694 1.00 1.00 C ATOM 2173 NZ LYS A 138 125.144 30.477 -4.268 1.00 1.00 N ATOM 0 H LYS A 138 121.217 26.627 -6.153 1.00 1.00 H new ATOM 0 HA LYS A 138 119.755 27.230 -3.842 1.00 1.00 H new ATOM 0 HB2 LYS A 138 121.460 28.947 -5.684 1.00 1.00 H new ATOM 0 HB3 LYS A 138 120.749 29.570 -4.208 1.00 1.00 H new ATOM 0 HG2 LYS A 138 121.842 27.541 -3.003 1.00 1.00 H new ATOM 0 HG3 LYS A 138 122.752 27.285 -4.479 1.00 1.00 H new ATOM 0 HD2 LYS A 138 122.706 29.928 -2.931 1.00 1.00 H new ATOM 0 HD3 LYS A 138 123.968 28.722 -2.773 1.00 1.00 H new ATOM 0 HE2 LYS A 138 124.223 28.906 -5.371 1.00 1.00 H new ATOM 0 HE3 LYS A 138 123.256 30.362 -5.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 125.621 30.867 -5.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 124.858 31.254 -3.639 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 125.796 29.844 -3.762 1.00 1.00 H new ATOM 2187 N SER A 139 118.622 28.605 -6.613 1.00 1.00 N ATOM 2188 CA SER A 139 117.454 29.271 -7.155 1.00 1.00 C ATOM 2189 C SER A 139 116.236 28.377 -7.003 1.00 1.00 C ATOM 2190 O SER A 139 115.124 28.847 -6.762 1.00 1.00 O ATOM 2191 CB SER A 139 117.665 29.601 -8.630 1.00 1.00 C ATOM 2192 OG SER A 139 118.888 30.305 -8.785 1.00 1.00 O ATOM 0 H SER A 139 119.335 28.351 -7.297 1.00 1.00 H new ATOM 0 HA SER A 139 117.296 30.199 -6.606 1.00 1.00 H new ATOM 0 HB2 SER A 139 117.683 28.685 -9.220 1.00 1.00 H new ATOM 0 HB3 SER A 139 116.836 30.204 -9.001 1.00 1.00 H new ATOM 0 HG SER A 139 119.635 29.671 -8.762 1.00 1.00 H new ATOM 2198 N ALA A 140 116.456 27.079 -7.152 1.00 1.00 N ATOM 2199 CA ALA A 140 115.382 26.105 -7.053 1.00 1.00 C ATOM 2200 C ALA A 140 114.810 25.999 -5.633 1.00 1.00 C ATOM 2201 O ALA A 140 113.599 25.851 -5.468 1.00 1.00 O ATOM 2202 CB ALA A 140 115.918 24.746 -7.496 1.00 1.00 C ATOM 0 H ALA A 140 117.373 26.676 -7.343 1.00 1.00 H new ATOM 0 HA ALA A 140 114.567 26.434 -7.697 1.00 1.00 H new ATOM 0 HB1 ALA A 140 115.124 24.002 -7.428 1.00 1.00 H new ATOM 0 HB2 ALA A 140 116.267 24.811 -8.527 1.00 1.00 H new ATOM 0 HB3 ALA A 140 116.746 24.453 -6.850 1.00 1.00 H new ATOM 2208 N LEU A 141 115.666 26.015 -4.622 1.00 1.00 N ATOM 2209 CA LEU A 141 115.201 25.858 -3.236 1.00 1.00 C ATOM 2210 C LEU A 141 114.812 27.185 -2.579 1.00 1.00 C ATOM 2211 O LEU A 141 114.388 27.194 -1.424 1.00 1.00 O ATOM 2212 CB LEU A 141 116.296 25.180 -2.411 1.00 1.00 C ATOM 2213 CG LEU A 141 116.168 23.661 -2.552 1.00 1.00 C ATOM 2214 CD1 LEU A 141 116.203 23.270 -4.027 1.00 1.00 C ATOM 2215 CD2 LEU A 141 117.323 22.980 -1.815 1.00 1.00 C ATOM 0 H LEU A 141 116.674 26.133 -4.724 1.00 1.00 H new ATOM 0 HA LEU A 141 114.301 25.244 -3.266 1.00 1.00 H new ATOM 0 HB2 LEU A 141 117.279 25.507 -2.751 1.00 1.00 H new ATOM 0 HB3 LEU A 141 116.209 25.468 -1.363 1.00 1.00 H new ATOM 0 HG LEU A 141 115.220 23.341 -2.120 1.00 1.00 H new ATOM 0 HD11 LEU A 141 116.111 22.188 -4.119 1.00 1.00 H new ATOM 0 HD12 LEU A 141 115.376 23.750 -4.550 1.00 1.00 H new ATOM 0 HD13 LEU A 141 117.147 23.593 -4.467 1.00 1.00 H new ATOM 0 HD21 LEU A 141 117.232 21.899 -1.916 1.00 1.00 H new ATOM 0 HD22 LEU A 141 118.271 23.305 -2.244 1.00 1.00 H new ATOM 0 HD23 LEU A 141 117.291 23.250 -0.760 1.00 1.00 H new ATOM 2227 N LYS A 142 114.950 28.297 -3.295 1.00 1.00 N ATOM 2228 CA LYS A 142 114.594 29.596 -2.729 1.00 1.00 C ATOM 2229 C LYS A 142 115.390 29.840 -1.452 1.00 1.00 C ATOM 2230 O LYS A 142 114.865 30.386 -0.480 1.00 1.00 O ATOM 2231 CB LYS A 142 113.088 29.656 -2.429 1.00 1.00 C ATOM 2232 CG LYS A 142 112.298 29.428 -3.727 1.00 1.00 C ATOM 2233 CD LYS A 142 111.581 28.069 -3.694 1.00 1.00 C ATOM 2234 CE LYS A 142 110.315 28.158 -2.833 1.00 1.00 C ATOM 2235 NZ LYS A 142 109.555 26.880 -2.942 1.00 1.00 N ATOM 0 H LYS A 142 115.300 28.327 -4.253 1.00 1.00 H new ATOM 0 HA LYS A 142 114.835 30.372 -3.455 1.00 1.00 H new ATOM 0 HB2 LYS A 142 112.823 28.899 -1.691 1.00 1.00 H new ATOM 0 HB3 LYS A 142 112.830 30.624 -1.999 1.00 1.00 H new ATOM 0 HG2 LYS A 142 111.568 30.227 -3.860 1.00 1.00 H new ATOM 0 HG3 LYS A 142 112.973 29.468 -4.582 1.00 1.00 H new ATOM 0 HD2 LYS A 142 111.320 27.763 -4.707 1.00 1.00 H new ATOM 0 HD3 LYS A 142 112.249 27.307 -3.293 1.00 1.00 H new ATOM 0 HE2 LYS A 142 110.581 28.349 -1.793 1.00 1.00 H new ATOM 0 HE3 LYS A 142 109.695 28.992 -3.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 142 108.695 26.936 -2.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 142 109.290 26.717 -3.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 142 110.148 26.094 -2.608 1.00 1.00 H new ATOM 2249 N LEU A 143 116.657 29.435 -1.466 1.00 1.00 N ATOM 2250 CA LEU A 143 117.517 29.617 -0.304 1.00 1.00 C ATOM 2251 C LEU A 143 118.592 30.654 -0.605 1.00 1.00 C ATOM 2252 O LEU A 143 119.322 30.561 -1.591 1.00 1.00 O ATOM 2253 CB LEU A 143 118.104 28.263 0.123 1.00 1.00 C ATOM 2254 CG LEU A 143 119.218 27.820 -0.843 1.00 1.00 C ATOM 2255 CD1 LEU A 143 120.557 28.453 -0.449 1.00 1.00 C ATOM 2256 CD2 LEU A 143 119.380 26.289 -0.819 1.00 1.00 C ATOM 0 H LEU A 143 117.106 28.983 -2.262 1.00 1.00 H new ATOM 0 HA LEU A 143 116.935 29.998 0.535 1.00 1.00 H new ATOM 0 HB2 LEU A 143 118.502 28.337 1.135 1.00 1.00 H new ATOM 0 HB3 LEU A 143 117.316 27.511 0.145 1.00 1.00 H new ATOM 0 HG LEU A 143 118.934 28.146 -1.844 1.00 1.00 H new ATOM 0 HD11 LEU A 143 121.332 28.128 -1.144 1.00 1.00 H new ATOM 0 HD12 LEU A 143 120.470 29.539 -0.484 1.00 1.00 H new ATOM 0 HD13 LEU A 143 120.823 28.143 0.562 1.00 1.00 H new ATOM 0 HD21 LEU A 143 120.172 25.996 -1.508 1.00 1.00 H new ATOM 0 HD22 LEU A 143 119.639 25.966 0.189 1.00 1.00 H new ATOM 0 HD23 LEU A 143 118.444 25.819 -1.121 1.00 1.00 H new