USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 720 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 53 ASN :FLIP amide:sc= -1.17 F(o=-2.2!,f=-1.5) USER MOD Set 1.2: A 103 TYR OH : rot 180:sc= -0.375 USER MOD Set 2.1: A 30 SER OG : rot 95:sc= -1.03 USER MOD Set 2.2: A 100 MET CE :methyl -132:sc= -1.16 (180deg=-3.88!) USER MOD Set 3.1: A 23 MET CE :methyl 171:sc= -0.329 (180deg=-0.432) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 176:sc= 0.349 (180deg=0.375) USER MOD Set 3.3: A 126 THR OG1 : rot -21:sc= 0.542 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -1.69 F(o=-3.7!,f=-1.7) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 1.45 K(o=1.4,f=-4.6!) USER MOD Single : A 63 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.37) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= 1.6 (180deg=1.07) USER MOD Single : A 77 THR OG1 : rot -170:sc= 1.53 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 159:sc= 1.2 (180deg=0.848) USER MOD Single : A 93 LYS NZ :NH3+ -160:sc= 0.834 (180deg=0.359) USER MOD Single : A 95 MET CE :methyl -118:sc= -0.386 (180deg=-4.79!) USER MOD Single : A 105 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.12) USER MOD Single : A 106 MET CE :methyl 166:sc= -0.555 (180deg=-0.888) USER MOD Single : A 124 LYS NZ :NH3+ -142:sc= 1.14 (180deg=0.497) USER MOD Single : A 129 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0454) USER MOD Single : A 130 THR OG1 : rot 168:sc= 0.745 USER MOD Single : A 133 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00548) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 341 N MET A 23 10.662 1.040 9.463 1.00 63.30 N ATOM 342 CA MET A 23 9.957 1.472 8.248 1.00 53.15 C ATOM 343 C MET A 23 10.895 2.192 7.268 1.00 2.53 C ATOM 344 O MET A 23 12.010 2.580 7.619 1.00 63.53 O ATOM 345 CB MET A 23 8.784 2.396 8.599 1.00 45.11 C ATOM 346 CG MET A 23 9.174 3.608 9.438 1.00 12.43 C ATOM 347 SD MET A 23 7.953 4.935 9.360 1.00 53.10 S ATOM 348 CE MET A 23 6.435 4.022 9.624 1.00 75.30 C ATOM 0 HA MET A 23 9.579 0.571 7.764 1.00 53.15 H new ATOM 0 HB2 MET A 23 8.319 2.741 7.676 1.00 45.11 H new ATOM 0 HB3 MET A 23 8.032 1.821 9.139 1.00 45.11 H new ATOM 0 HG2 MET A 23 9.303 3.300 10.475 1.00 12.43 H new ATOM 0 HG3 MET A 23 10.137 3.986 9.096 1.00 12.43 H new ATOM 0 HE1 MET A 23 5.610 4.720 9.762 1.00 75.30 H new ATOM 0 HE2 MET A 23 6.235 3.391 8.758 1.00 75.30 H new ATOM 0 HE3 MET A 23 6.535 3.399 10.512 1.00 75.30 H new ATOM 358 N LEU A 24 10.424 2.375 6.038 1.00 31.54 N ATOM 359 CA LEU A 24 11.183 3.088 5.005 1.00 24.40 C ATOM 360 C LEU A 24 10.404 4.289 4.462 1.00 33.31 C ATOM 361 O LEU A 24 9.192 4.214 4.249 1.00 4.15 O ATOM 362 CB LEU A 24 11.531 2.130 3.856 1.00 20.33 C ATOM 363 CG LEU A 24 12.763 1.244 4.092 1.00 15.11 C ATOM 364 CD1 LEU A 24 12.742 0.031 3.167 1.00 43.44 C ATOM 365 CD2 LEU A 24 14.044 2.047 3.881 1.00 34.43 C ATOM 0 H LEU A 24 9.513 2.038 5.727 1.00 31.54 H new ATOM 0 HA LEU A 24 12.100 3.461 5.462 1.00 24.40 H new ATOM 0 HB2 LEU A 24 10.672 1.486 3.668 1.00 20.33 H new ATOM 0 HB3 LEU A 24 11.693 2.717 2.952 1.00 20.33 H new ATOM 0 HG LEU A 24 12.736 0.891 5.123 1.00 15.11 H new ATOM 0 HD11 LEU A 24 13.624 -0.583 3.351 1.00 43.44 H new ATOM 0 HD12 LEU A 24 11.844 -0.557 3.358 1.00 43.44 H new ATOM 0 HD13 LEU A 24 12.743 0.365 2.129 1.00 43.44 H new ATOM 0 HD21 LEU A 24 14.908 1.405 4.052 1.00 34.43 H new ATOM 0 HD22 LEU A 24 14.071 2.427 2.860 1.00 34.43 H new ATOM 0 HD23 LEU A 24 14.069 2.883 4.580 1.00 34.43 H new ATOM 377 N GLU A 25 11.109 5.394 4.243 1.00 34.13 N ATOM 378 CA GLU A 25 10.514 6.579 3.620 1.00 11.44 C ATOM 379 C GLU A 25 10.430 6.398 2.109 1.00 11.14 C ATOM 380 O GLU A 25 11.444 6.242 1.425 1.00 74.25 O ATOM 381 CB GLU A 25 11.302 7.847 3.971 1.00 33.41 C ATOM 382 CG GLU A 25 10.807 8.524 5.241 1.00 1.21 C ATOM 383 CD GLU A 25 11.714 9.654 5.707 1.00 41.32 C ATOM 384 OE1 GLU A 25 11.836 10.663 4.975 1.00 14.33 O ATOM 385 OE2 GLU A 25 12.291 9.551 6.807 1.00 65.23 O ATOM 0 H GLU A 25 12.094 5.497 4.487 1.00 34.13 H new ATOM 0 HA GLU A 25 9.504 6.697 4.014 1.00 11.44 H new ATOM 0 HB2 GLU A 25 12.355 7.592 4.089 1.00 33.41 H new ATOM 0 HB3 GLU A 25 11.235 8.551 3.141 1.00 33.41 H new ATOM 0 HG2 GLU A 25 9.805 8.918 5.069 1.00 1.21 H new ATOM 0 HG3 GLU A 25 10.726 7.781 6.034 1.00 1.21 H new ATOM 392 N VAL A 26 9.213 6.417 1.599 1.00 71.13 N ATOM 393 CA VAL A 26 8.953 6.128 0.185 1.00 52.44 C ATOM 394 C VAL A 26 7.915 7.084 -0.410 1.00 11.31 C ATOM 395 O VAL A 26 7.146 7.714 0.313 1.00 5.24 O ATOM 396 CB VAL A 26 8.457 4.668 -0.010 1.00 23.42 C ATOM 397 CG1 VAL A 26 9.537 3.660 0.379 1.00 62.03 C ATOM 398 CG2 VAL A 26 7.178 4.424 0.792 1.00 44.12 C ATOM 0 H VAL A 26 8.376 6.631 2.142 1.00 71.13 H new ATOM 0 HA VAL A 26 9.901 6.265 -0.336 1.00 52.44 H new ATOM 0 HB VAL A 26 8.235 4.528 -1.068 1.00 23.42 H new ATOM 0 HG11 VAL A 26 9.160 2.648 0.232 1.00 62.03 H new ATOM 0 HG12 VAL A 26 10.419 3.813 -0.243 1.00 62.03 H new ATOM 0 HG13 VAL A 26 9.804 3.799 1.427 1.00 62.03 H new ATOM 0 HG21 VAL A 26 6.846 3.397 0.643 1.00 44.12 H new ATOM 0 HG22 VAL A 26 7.375 4.592 1.851 1.00 44.12 H new ATOM 0 HG23 VAL A 26 6.401 5.109 0.454 1.00 44.12 H new ATOM 408 N GLU A 27 7.894 7.185 -1.734 1.00 73.11 N ATOM 409 CA GLU A 27 6.884 7.989 -2.427 1.00 53.03 C ATOM 410 C GLU A 27 5.750 7.093 -2.948 1.00 75.25 C ATOM 411 O GLU A 27 5.948 6.276 -3.847 1.00 2.10 O ATOM 412 CB GLU A 27 7.519 8.778 -3.579 1.00 65.21 C ATOM 413 CG GLU A 27 6.542 9.704 -4.302 1.00 53.22 C ATOM 414 CD GLU A 27 7.217 10.629 -5.306 1.00 52.43 C ATOM 415 OE1 GLU A 27 8.440 10.843 -5.202 1.00 42.13 O ATOM 416 OE2 GLU A 27 6.519 11.172 -6.189 1.00 32.14 O ATOM 0 H GLU A 27 8.562 6.723 -2.351 1.00 73.11 H new ATOM 0 HA GLU A 27 6.463 8.700 -1.716 1.00 53.03 H new ATOM 0 HB2 GLU A 27 8.346 9.371 -3.189 1.00 65.21 H new ATOM 0 HB3 GLU A 27 7.941 8.077 -4.299 1.00 65.21 H new ATOM 0 HG2 GLU A 27 5.796 9.101 -4.819 1.00 53.22 H new ATOM 0 HG3 GLU A 27 6.010 10.306 -3.565 1.00 53.22 H new ATOM 423 N VAL A 28 4.570 7.251 -2.357 1.00 33.23 N ATOM 424 CA VAL A 28 3.405 6.410 -2.661 1.00 65.25 C ATOM 425 C VAL A 28 2.597 6.964 -3.846 1.00 72.11 C ATOM 426 O VAL A 28 1.883 7.961 -3.719 1.00 31.02 O ATOM 427 CB VAL A 28 2.476 6.298 -1.426 1.00 75.44 C ATOM 428 CG1 VAL A 28 1.313 5.344 -1.695 1.00 0.20 C ATOM 429 CG2 VAL A 28 3.269 5.868 -0.192 1.00 62.11 C ATOM 0 H VAL A 28 4.389 7.965 -1.652 1.00 33.23 H new ATOM 0 HA VAL A 28 3.785 5.424 -2.928 1.00 65.25 H new ATOM 0 HB VAL A 28 2.054 7.283 -1.230 1.00 75.44 H new ATOM 0 HG11 VAL A 28 0.678 5.286 -0.811 1.00 0.20 H new ATOM 0 HG12 VAL A 28 0.728 5.712 -2.538 1.00 0.20 H new ATOM 0 HG13 VAL A 28 1.702 4.353 -1.928 1.00 0.20 H new ATOM 0 HG21 VAL A 28 2.598 5.795 0.664 1.00 62.11 H new ATOM 0 HG22 VAL A 28 3.730 4.897 -0.376 1.00 62.11 H new ATOM 0 HG23 VAL A 28 4.045 6.604 0.017 1.00 62.11 H new ATOM 439 N ILE A 29 2.710 6.316 -4.996 1.00 43.12 N ATOM 440 CA ILE A 29 2.013 6.768 -6.204 1.00 74.34 C ATOM 441 C ILE A 29 0.643 6.088 -6.344 1.00 62.35 C ATOM 442 O ILE A 29 0.382 5.065 -5.711 1.00 62.20 O ATOM 443 CB ILE A 29 2.849 6.480 -7.474 1.00 74.31 C ATOM 444 CG1 ILE A 29 4.350 6.607 -7.168 1.00 45.34 C ATOM 445 CG2 ILE A 29 2.448 7.444 -8.591 1.00 21.42 C ATOM 446 CD1 ILE A 29 5.247 6.173 -8.305 1.00 11.42 C ATOM 0 H ILE A 29 3.275 5.477 -5.124 1.00 43.12 H new ATOM 0 HA ILE A 29 1.871 7.844 -6.103 1.00 74.34 H new ATOM 0 HB ILE A 29 2.652 5.460 -7.802 1.00 74.31 H new ATOM 0 HG12 ILE A 29 4.573 7.644 -6.918 1.00 45.34 H new ATOM 0 HG13 ILE A 29 4.583 6.010 -6.287 1.00 45.34 H new ATOM 0 HG21 ILE A 29 3.041 7.235 -9.482 1.00 21.42 H new ATOM 0 HG22 ILE A 29 1.390 7.315 -8.820 1.00 21.42 H new ATOM 0 HG23 ILE A 29 2.627 8.470 -8.268 1.00 21.42 H new ATOM 0 HD11 ILE A 29 6.290 6.292 -8.012 1.00 11.42 H new ATOM 0 HD12 ILE A 29 5.054 5.127 -8.542 1.00 11.42 H new ATOM 0 HD13 ILE A 29 5.044 6.787 -9.183 1.00 11.42 H new ATOM 458 N SER A 30 -0.227 6.653 -7.182 1.00 30.12 N ATOM 459 CA SER A 30 -1.565 6.087 -7.395 1.00 5.34 C ATOM 460 C SER A 30 -1.931 6.031 -8.887 1.00 73.23 C ATOM 461 O SER A 30 -2.087 7.064 -9.536 1.00 64.34 O ATOM 462 CB SER A 30 -2.617 6.896 -6.628 1.00 51.23 C ATOM 463 OG SER A 30 -3.874 6.240 -6.636 1.00 62.21 O ATOM 0 H SER A 30 -0.034 7.496 -7.722 1.00 30.12 H new ATOM 0 HA SER A 30 -1.550 5.065 -7.016 1.00 5.34 H new ATOM 0 HB2 SER A 30 -2.287 7.044 -5.600 1.00 51.23 H new ATOM 0 HB3 SER A 30 -2.717 7.885 -7.076 1.00 51.23 H new ATOM 0 HG SER A 30 -3.969 5.706 -5.820 1.00 62.21 H new ATOM 469 N GLY A 31 -2.071 4.816 -9.429 1.00 53.13 N ATOM 470 CA GLY A 31 -2.393 4.654 -10.851 1.00 2.52 C ATOM 471 C GLY A 31 -3.746 3.986 -11.092 1.00 52.35 C ATOM 472 O GLY A 31 -4.012 2.901 -10.572 1.00 54.44 O ATOM 0 H GLY A 31 -1.968 3.942 -8.913 1.00 53.13 H new ATOM 0 HA2 GLY A 31 -2.388 5.632 -11.331 1.00 2.52 H new ATOM 0 HA3 GLY A 31 -1.613 4.061 -11.328 1.00 2.52 H new ATOM 711 N GLU A 47 -12.516 -8.487 -9.277 1.00 13.31 N ATOM 712 CA GLU A 47 -11.581 -7.584 -9.968 1.00 14.04 C ATOM 713 C GLU A 47 -11.123 -6.447 -9.043 1.00 65.52 C ATOM 714 O GLU A 47 -9.930 -6.161 -8.927 1.00 51.42 O ATOM 715 CB GLU A 47 -12.228 -6.992 -11.229 1.00 64.42 C ATOM 716 CG GLU A 47 -12.561 -8.022 -12.304 1.00 21.44 C ATOM 717 CD GLU A 47 -13.215 -7.393 -13.526 1.00 71.13 C ATOM 718 OE1 GLU A 47 -12.491 -6.829 -14.379 1.00 64.00 O ATOM 719 OE2 GLU A 47 -14.456 -7.445 -13.637 1.00 45.22 O ATOM 0 HA GLU A 47 -10.710 -8.173 -10.256 1.00 14.04 H new ATOM 0 HB2 GLU A 47 -13.143 -6.472 -10.944 1.00 64.42 H new ATOM 0 HB3 GLU A 47 -11.556 -6.246 -11.653 1.00 64.42 H new ATOM 0 HG2 GLU A 47 -11.648 -8.535 -12.607 1.00 21.44 H new ATOM 0 HG3 GLU A 47 -13.227 -8.777 -11.886 1.00 21.44 H new ATOM 726 N TYR A 48 -12.077 -5.820 -8.362 1.00 11.44 N ATOM 727 CA TYR A 48 -11.778 -4.710 -7.453 1.00 54.22 C ATOM 728 C TYR A 48 -11.008 -5.212 -6.214 1.00 55.04 C ATOM 729 O TYR A 48 -10.301 -4.447 -5.554 1.00 30.11 O ATOM 730 CB TYR A 48 -13.081 -4.008 -7.026 1.00 42.24 C ATOM 731 CG TYR A 48 -12.993 -2.491 -7.039 1.00 21.23 C ATOM 732 CD1 TYR A 48 -12.388 -1.792 -6.000 1.00 74.34 C ATOM 733 CD2 TYR A 48 -13.505 -1.758 -8.104 1.00 34.33 C ATOM 734 CE1 TYR A 48 -12.298 -0.413 -6.027 1.00 72.30 C ATOM 735 CE2 TYR A 48 -13.423 -0.378 -8.135 1.00 51.32 C ATOM 736 CZ TYR A 48 -12.816 0.289 -7.095 1.00 21.13 C ATOM 737 OH TYR A 48 -12.728 1.666 -7.126 1.00 43.23 O ATOM 0 H TYR A 48 -13.067 -6.060 -8.420 1.00 11.44 H new ATOM 0 HA TYR A 48 -11.148 -3.993 -7.979 1.00 54.22 H new ATOM 0 HB2 TYR A 48 -13.886 -4.322 -7.690 1.00 42.24 H new ATOM 0 HB3 TYR A 48 -13.349 -4.339 -6.022 1.00 42.24 H new ATOM 0 HD1 TYR A 48 -11.982 -2.335 -5.159 1.00 74.34 H new ATOM 0 HD2 TYR A 48 -13.977 -2.278 -8.925 1.00 34.33 H new ATOM 0 HE1 TYR A 48 -11.823 0.114 -5.213 1.00 72.30 H new ATOM 0 HE2 TYR A 48 -13.832 0.173 -8.969 1.00 51.32 H new ATOM 0 HH TYR A 48 -13.141 2.002 -7.949 1.00 43.23 H new ATOM 747 N PHE A 49 -11.150 -6.504 -5.910 1.00 11.05 N ATOM 748 CA PHE A 49 -10.476 -7.104 -4.749 1.00 71.14 C ATOM 749 C PHE A 49 -9.062 -7.617 -5.101 1.00 73.43 C ATOM 750 O PHE A 49 -8.375 -8.195 -4.261 1.00 52.12 O ATOM 751 CB PHE A 49 -11.337 -8.235 -4.156 1.00 63.14 C ATOM 752 CG PHE A 49 -10.833 -8.753 -2.827 1.00 61.01 C ATOM 753 CD1 PHE A 49 -10.809 -7.926 -1.710 1.00 53.52 C ATOM 754 CD2 PHE A 49 -10.384 -10.061 -2.692 1.00 11.40 C ATOM 755 CE1 PHE A 49 -10.346 -8.393 -0.493 1.00 61.13 C ATOM 756 CE2 PHE A 49 -9.923 -10.529 -1.477 1.00 32.44 C ATOM 757 CZ PHE A 49 -9.903 -9.695 -0.377 1.00 45.03 C ATOM 0 H PHE A 49 -11.722 -7.155 -6.447 1.00 11.05 H new ATOM 0 HA PHE A 49 -10.355 -6.323 -3.999 1.00 71.14 H new ATOM 0 HB2 PHE A 49 -12.358 -7.874 -4.031 1.00 63.14 H new ATOM 0 HB3 PHE A 49 -11.375 -9.061 -4.866 1.00 63.14 H new ATOM 0 HD1 PHE A 49 -11.156 -6.907 -1.793 1.00 53.52 H new ATOM 0 HD2 PHE A 49 -10.396 -10.720 -3.548 1.00 11.40 H new ATOM 0 HE1 PHE A 49 -10.331 -7.739 0.366 1.00 61.13 H new ATOM 0 HE2 PHE A 49 -9.578 -11.548 -1.387 1.00 32.44 H new ATOM 0 HZ PHE A 49 -9.541 -10.061 0.573 1.00 45.03 H new ATOM 767 N ASN A 50 -8.624 -7.424 -6.346 1.00 23.20 N ATOM 768 CA ASN A 50 -7.222 -7.691 -6.701 1.00 63.41 C ATOM 769 C ASN A 50 -6.527 -6.444 -7.279 1.00 65.25 C ATOM 770 O ASN A 50 -5.445 -6.063 -6.830 1.00 72.34 O ATOM 771 CB ASN A 50 -7.095 -8.882 -7.670 1.00 62.41 C ATOM 772 CG ASN A 50 -7.775 -8.663 -9.012 1.00 51.25 C ATOM 773 OD1 ASN A 50 -8.987 -9.152 -9.156 1.00 3.52 O flip ATOM 774 ND2 ASN A 50 -7.204 -8.075 -9.924 1.00 4.15 N flip ATOM 0 H ASN A 50 -9.204 -7.090 -7.116 1.00 23.20 H new ATOM 0 HA ASN A 50 -6.712 -7.956 -5.775 1.00 63.41 H new ATOM 0 HB2 ASN A 50 -6.038 -9.088 -7.839 1.00 62.41 H new ATOM 0 HB3 ASN A 50 -7.521 -9.768 -7.199 1.00 62.41 H new ATOM 0 HD21 ASN A 50 -6.264 -7.706 -9.783 1.00 4.15 H new ATOM 0 HD22 ASN A 50 -7.670 -7.955 -10.824 1.00 4.15 H new ATOM 781 N ALA A 51 -7.183 -5.787 -8.236 1.00 75.23 N ATOM 782 CA ALA A 51 -6.571 -4.702 -9.025 1.00 23.30 C ATOM 783 C ALA A 51 -5.998 -3.550 -8.173 1.00 75.01 C ATOM 784 O ALA A 51 -5.130 -2.816 -8.638 1.00 22.03 O ATOM 785 CB ALA A 51 -7.586 -4.159 -10.028 1.00 1.52 C ATOM 0 H ALA A 51 -8.150 -5.986 -8.490 1.00 75.23 H new ATOM 0 HA ALA A 51 -5.719 -5.143 -9.542 1.00 23.30 H new ATOM 0 HB1 ALA A 51 -7.130 -3.357 -10.609 1.00 1.52 H new ATOM 0 HB2 ALA A 51 -7.900 -4.960 -10.698 1.00 1.52 H new ATOM 0 HB3 ALA A 51 -8.454 -3.772 -9.494 1.00 1.52 H new ATOM 791 N VAL A 52 -6.486 -3.386 -6.939 1.00 14.11 N ATOM 792 CA VAL A 52 -6.036 -2.280 -6.066 1.00 3.42 C ATOM 793 C VAL A 52 -5.649 -2.753 -4.653 1.00 4.24 C ATOM 794 O VAL A 52 -5.556 -1.948 -3.731 1.00 1.13 O ATOM 795 CB VAL A 52 -7.134 -1.188 -5.937 1.00 22.11 C ATOM 796 CG1 VAL A 52 -7.350 -0.467 -7.265 1.00 54.52 C ATOM 797 CG2 VAL A 52 -8.441 -1.794 -5.431 1.00 15.11 C ATOM 0 H VAL A 52 -7.187 -3.996 -6.518 1.00 14.11 H new ATOM 0 HA VAL A 52 -5.148 -1.868 -6.546 1.00 3.42 H new ATOM 0 HB VAL A 52 -6.793 -0.453 -5.208 1.00 22.11 H new ATOM 0 HG11 VAL A 52 -8.124 0.292 -7.146 1.00 54.52 H new ATOM 0 HG12 VAL A 52 -6.420 0.009 -7.576 1.00 54.52 H new ATOM 0 HG13 VAL A 52 -7.661 -1.186 -8.023 1.00 54.52 H new ATOM 0 HG21 VAL A 52 -9.196 -1.012 -5.348 1.00 15.11 H new ATOM 0 HG22 VAL A 52 -8.783 -2.557 -6.131 1.00 15.11 H new ATOM 0 HG23 VAL A 52 -8.278 -2.246 -4.453 1.00 15.11 H new ATOM 807 N ASN A 53 -5.406 -4.053 -4.485 1.00 10.24 N ATOM 808 CA ASN A 53 -5.140 -4.615 -3.146 1.00 14.11 C ATOM 809 C ASN A 53 -3.644 -4.877 -2.901 1.00 25.23 C ATOM 810 O ASN A 53 -3.278 -5.593 -1.968 1.00 41.15 O ATOM 811 CB ASN A 53 -5.929 -5.917 -2.946 1.00 52.14 C ATOM 812 CG ASN A 53 -7.438 -5.716 -2.927 1.00 51.33 C ATOM 813 OD1 ASN A 53 -7.946 -4.808 -3.737 1.00 63.20 O flip ATOM 814 ND2 ASN A 53 -8.150 -6.391 -2.199 1.00 15.32 N flip ATOM 0 H ASN A 53 -5.386 -4.735 -5.243 1.00 10.24 H new ATOM 0 HA ASN A 53 -5.466 -3.868 -2.422 1.00 14.11 H new ATOM 0 HB2 ASN A 53 -5.673 -6.614 -3.744 1.00 52.14 H new ATOM 0 HB3 ASN A 53 -5.620 -6.379 -2.008 1.00 52.14 H new ATOM 0 HD21 ASN A 53 -7.733 -7.087 -1.581 1.00 15.32 H new ATOM 0 HD22 ASN A 53 -9.161 -6.258 -2.209 1.00 15.32 H new ATOM 821 N TYR A 54 -2.778 -4.274 -3.709 1.00 2.21 N ATOM 822 CA TYR A 54 -1.334 -4.516 -3.601 1.00 10.41 C ATOM 823 C TYR A 54 -0.517 -3.236 -3.813 1.00 71.45 C ATOM 824 O TYR A 54 -1.013 -2.246 -4.350 1.00 54.44 O ATOM 825 CB TYR A 54 -0.895 -5.583 -4.618 1.00 2.02 C ATOM 826 CG TYR A 54 -1.213 -5.228 -6.063 1.00 73.33 C ATOM 827 CD1 TYR A 54 -0.343 -4.451 -6.826 1.00 65.11 C ATOM 828 CD2 TYR A 54 -2.385 -5.670 -6.662 1.00 25.14 C ATOM 829 CE1 TYR A 54 -0.636 -4.129 -8.139 1.00 2.22 C ATOM 830 CE2 TYR A 54 -2.683 -5.352 -7.974 1.00 10.55 C ATOM 831 CZ TYR A 54 -1.808 -4.580 -8.707 1.00 41.21 C ATOM 832 OH TYR A 54 -2.103 -4.265 -10.014 1.00 32.34 O ATOM 0 H TYR A 54 -3.043 -3.617 -4.443 1.00 2.21 H new ATOM 0 HA TYR A 54 -1.142 -4.871 -2.588 1.00 10.41 H new ATOM 0 HB2 TYR A 54 0.179 -5.742 -4.522 1.00 2.02 H new ATOM 0 HB3 TYR A 54 -1.381 -6.527 -4.371 1.00 2.02 H new ATOM 0 HD1 TYR A 54 0.576 -4.094 -6.384 1.00 65.11 H new ATOM 0 HD2 TYR A 54 -3.077 -6.273 -6.093 1.00 25.14 H new ATOM 0 HE1 TYR A 54 0.050 -3.527 -8.716 1.00 2.22 H new ATOM 0 HE2 TYR A 54 -3.599 -5.707 -8.423 1.00 10.55 H new ATOM 0 HH TYR A 54 -2.965 -4.662 -10.260 1.00 32.34 H new ATOM 842 N ALA A 55 0.743 -3.281 -3.389 1.00 30.24 N ATOM 843 CA ALA A 55 1.690 -2.186 -3.612 1.00 5.24 C ATOM 844 C ALA A 55 2.964 -2.698 -4.296 1.00 32.42 C ATOM 845 O ALA A 55 3.587 -3.652 -3.825 1.00 52.03 O ATOM 846 CB ALA A 55 2.039 -1.519 -2.284 1.00 5.22 C ATOM 0 H ALA A 55 1.138 -4.073 -2.883 1.00 30.24 H new ATOM 0 HA ALA A 55 1.220 -1.453 -4.268 1.00 5.24 H new ATOM 0 HB1 ALA A 55 2.744 -0.706 -2.459 1.00 5.22 H new ATOM 0 HB2 ALA A 55 1.133 -1.122 -1.827 1.00 5.22 H new ATOM 0 HB3 ALA A 55 2.490 -2.253 -1.616 1.00 5.22 H new ATOM 852 N GLU A 56 3.348 -2.072 -5.407 1.00 4.33 N ATOM 853 CA GLU A 56 4.561 -2.469 -6.131 1.00 13.04 C ATOM 854 C GLU A 56 5.795 -1.745 -5.571 1.00 54.24 C ATOM 855 O GLU A 56 5.890 -0.517 -5.606 1.00 22.41 O ATOM 856 CB GLU A 56 4.402 -2.220 -7.638 1.00 3.55 C ATOM 857 CG GLU A 56 3.268 -3.035 -8.262 1.00 5.22 C ATOM 858 CD GLU A 56 3.234 -2.968 -9.781 1.00 1.45 C ATOM 859 OE1 GLU A 56 2.695 -1.990 -10.334 1.00 54.53 O ATOM 860 OE2 GLU A 56 3.732 -3.907 -10.431 1.00 64.33 O ATOM 0 H GLU A 56 2.842 -1.292 -5.826 1.00 4.33 H new ATOM 0 HA GLU A 56 4.711 -3.539 -5.985 1.00 13.04 H new ATOM 0 HB2 GLU A 56 4.216 -1.160 -7.808 1.00 3.55 H new ATOM 0 HB3 GLU A 56 5.337 -2.464 -8.142 1.00 3.55 H new ATOM 0 HG2 GLU A 56 3.368 -4.076 -7.955 1.00 5.22 H new ATOM 0 HG3 GLU A 56 2.316 -2.677 -7.870 1.00 5.22 H new ATOM 867 N ILE A 57 6.732 -2.538 -5.059 1.00 73.31 N ATOM 868 CA ILE A 57 7.873 -2.047 -4.276 1.00 54.41 C ATOM 869 C ILE A 57 9.215 -2.348 -4.969 1.00 24.24 C ATOM 870 O ILE A 57 9.319 -3.285 -5.766 1.00 12.52 O ATOM 871 CB ILE A 57 7.866 -2.723 -2.879 1.00 63.43 C ATOM 872 CG1 ILE A 57 6.486 -2.562 -2.218 1.00 75.44 C ATOM 873 CG2 ILE A 57 8.962 -2.151 -1.979 1.00 41.12 C ATOM 874 CD1 ILE A 57 6.262 -3.483 -1.037 1.00 64.31 C ATOM 0 H ILE A 57 6.725 -3.551 -5.175 1.00 73.31 H new ATOM 0 HA ILE A 57 7.772 -0.966 -4.183 1.00 54.41 H new ATOM 0 HB ILE A 57 8.070 -3.785 -3.016 1.00 63.43 H new ATOM 0 HG12 ILE A 57 6.370 -1.529 -1.889 1.00 75.44 H new ATOM 0 HG13 ILE A 57 5.713 -2.748 -2.963 1.00 75.44 H new ATOM 0 HG21 ILE A 57 8.930 -2.645 -1.008 1.00 41.12 H new ATOM 0 HG22 ILE A 57 9.935 -2.318 -2.440 1.00 41.12 H new ATOM 0 HG23 ILE A 57 8.802 -1.081 -1.847 1.00 41.12 H new ATOM 0 HD11 ILE A 57 5.268 -3.311 -0.625 1.00 64.31 H new ATOM 0 HD12 ILE A 57 6.345 -4.520 -1.363 1.00 64.31 H new ATOM 0 HD13 ILE A 57 7.012 -3.282 -0.272 1.00 64.31 H new ATOM 886 N ASN A 58 10.236 -1.547 -4.663 1.00 75.21 N ATOM 887 CA ASN A 58 11.590 -1.783 -5.168 1.00 30.42 C ATOM 888 C ASN A 58 12.261 -2.936 -4.401 1.00 11.43 C ATOM 889 O ASN A 58 12.053 -3.096 -3.199 1.00 32.35 O ATOM 890 CB ASN A 58 12.427 -0.509 -5.039 1.00 22.44 C ATOM 891 CG ASN A 58 13.843 -0.685 -5.564 1.00 61.41 C ATOM 892 OD1 ASN A 58 14.746 -1.070 -4.833 1.00 51.31 O ATOM 893 ND2 ASN A 58 14.045 -0.416 -6.835 1.00 64.12 N ATOM 0 H ASN A 58 10.151 -0.725 -4.065 1.00 75.21 H new ATOM 0 HA ASN A 58 11.524 -2.060 -6.220 1.00 30.42 H new ATOM 0 HB2 ASN A 58 11.939 0.299 -5.584 1.00 22.44 H new ATOM 0 HB3 ASN A 58 12.466 -0.209 -3.992 1.00 22.44 H new ATOM 0 HD21 ASN A 58 14.975 -0.526 -7.238 1.00 64.12 H new ATOM 0 HD22 ASN A 58 13.271 -0.097 -7.418 1.00 64.12 H new ATOM 900 N GLU A 59 13.072 -3.731 -5.098 1.00 65.32 N ATOM 901 CA GLU A 59 13.711 -4.906 -4.487 1.00 44.14 C ATOM 902 C GLU A 59 14.678 -4.535 -3.348 1.00 61.52 C ATOM 903 O GLU A 59 14.763 -5.246 -2.347 1.00 3.33 O ATOM 904 CB GLU A 59 14.441 -5.738 -5.549 1.00 75.30 C ATOM 905 CG GLU A 59 15.166 -6.956 -4.977 1.00 12.30 C ATOM 906 CD GLU A 59 15.504 -8.002 -6.027 1.00 14.14 C ATOM 907 OE1 GLU A 59 16.493 -7.820 -6.764 1.00 4.24 O ATOM 908 OE2 GLU A 59 14.781 -9.021 -6.108 1.00 23.33 O ATOM 0 H GLU A 59 13.304 -3.588 -6.081 1.00 65.32 H new ATOM 0 HA GLU A 59 12.911 -5.501 -4.047 1.00 44.14 H new ATOM 0 HB2 GLU A 59 13.721 -6.072 -6.296 1.00 75.30 H new ATOM 0 HB3 GLU A 59 15.163 -5.104 -6.063 1.00 75.30 H new ATOM 0 HG2 GLU A 59 16.085 -6.628 -4.492 1.00 12.30 H new ATOM 0 HG3 GLU A 59 14.544 -7.412 -4.207 1.00 12.30 H new ATOM 915 N GLU A 60 15.396 -3.430 -3.492 1.00 12.11 N ATOM 916 CA GLU A 60 16.342 -2.990 -2.456 1.00 62.40 C ATOM 917 C GLU A 60 15.620 -2.681 -1.129 1.00 5.53 C ATOM 918 O GLU A 60 16.043 -3.137 -0.061 1.00 32.23 O ATOM 919 CB GLU A 60 17.132 -1.768 -2.942 1.00 52.41 C ATOM 920 CG GLU A 60 17.951 -2.031 -4.202 1.00 41.22 C ATOM 921 CD GLU A 60 19.004 -3.109 -3.995 1.00 12.23 C ATOM 922 OE1 GLU A 60 20.059 -2.810 -3.396 1.00 20.11 O ATOM 923 OE2 GLU A 60 18.780 -4.264 -4.419 1.00 50.23 O ATOM 0 H GLU A 60 15.348 -2.820 -4.308 1.00 12.11 H new ATOM 0 HA GLU A 60 17.040 -3.806 -2.268 1.00 62.40 H new ATOM 0 HB2 GLU A 60 16.438 -0.950 -3.134 1.00 52.41 H new ATOM 0 HB3 GLU A 60 17.800 -1.438 -2.147 1.00 52.41 H new ATOM 0 HG2 GLU A 60 17.283 -2.330 -5.010 1.00 41.22 H new ATOM 0 HG3 GLU A 60 18.437 -1.107 -4.515 1.00 41.22 H new ATOM 930 N ASP A 61 14.525 -1.918 -1.201 1.00 62.20 N ATOM 931 CA ASP A 61 13.696 -1.650 -0.015 1.00 55.25 C ATOM 932 C ASP A 61 13.014 -2.936 0.467 1.00 61.33 C ATOM 933 O ASP A 61 12.854 -3.165 1.668 1.00 25.25 O ATOM 934 CB ASP A 61 12.637 -0.589 -0.323 1.00 74.31 C ATOM 935 CG ASP A 61 13.246 0.702 -0.826 1.00 13.54 C ATOM 936 OD1 ASP A 61 14.028 1.334 -0.080 1.00 51.40 O ATOM 937 OD2 ASP A 61 12.966 1.080 -1.975 1.00 1.00 O ATOM 0 H ASP A 61 14.192 -1.477 -2.058 1.00 62.20 H new ATOM 0 HA ASP A 61 14.349 -1.277 0.774 1.00 55.25 H new ATOM 0 HB2 ASP A 61 11.944 -0.977 -1.070 1.00 74.31 H new ATOM 0 HB3 ASP A 61 12.056 -0.387 0.577 1.00 74.31 H new ATOM 942 N TRP A 62 12.620 -3.769 -0.492 1.00 45.43 N ATOM 943 CA TRP A 62 12.046 -5.087 -0.215 1.00 61.22 C ATOM 944 C TRP A 62 12.973 -5.898 0.707 1.00 64.33 C ATOM 945 O TRP A 62 12.530 -6.504 1.689 1.00 51.20 O ATOM 946 CB TRP A 62 11.834 -5.817 -1.551 1.00 12.23 C ATOM 947 CG TRP A 62 11.127 -7.128 -1.446 1.00 14.03 C ATOM 948 CD1 TRP A 62 11.673 -8.335 -1.117 1.00 42.12 C ATOM 949 CD2 TRP A 62 9.740 -7.365 -1.693 1.00 32.15 C ATOM 950 NE1 TRP A 62 10.704 -9.303 -1.128 1.00 12.53 N ATOM 951 CE2 TRP A 62 9.510 -8.732 -1.481 1.00 55.12 C ATOM 952 CE3 TRP A 62 8.666 -6.549 -2.070 1.00 74.03 C ATOM 953 CZ2 TRP A 62 8.255 -9.303 -1.630 1.00 31.43 C ATOM 954 CZ3 TRP A 62 7.419 -7.121 -2.216 1.00 3.23 C ATOM 955 CH2 TRP A 62 7.222 -8.487 -1.996 1.00 24.10 C ATOM 0 H TRP A 62 12.689 -3.551 -1.486 1.00 45.43 H new ATOM 0 HA TRP A 62 11.090 -4.973 0.297 1.00 61.22 H new ATOM 0 HB2 TRP A 62 11.267 -5.167 -2.217 1.00 12.23 H new ATOM 0 HB3 TRP A 62 12.806 -5.981 -2.017 1.00 12.23 H new ATOM 0 HD1 TRP A 62 12.714 -8.502 -0.883 1.00 42.12 H new ATOM 0 HE1 TRP A 62 10.848 -10.289 -0.909 1.00 12.53 H new ATOM 0 HE3 TRP A 62 8.811 -5.493 -2.243 1.00 74.03 H new ATOM 0 HZ2 TRP A 62 8.099 -10.358 -1.462 1.00 31.43 H new ATOM 0 HZ3 TRP A 62 6.582 -6.503 -2.505 1.00 3.23 H new ATOM 0 HH2 TRP A 62 6.234 -8.906 -2.118 1.00 24.10 H new ATOM 966 N ASN A 63 14.265 -5.882 0.386 1.00 24.11 N ATOM 967 CA ASN A 63 15.286 -6.550 1.202 1.00 41.40 C ATOM 968 C ASN A 63 15.410 -5.883 2.583 1.00 35.44 C ATOM 969 O ASN A 63 15.545 -6.562 3.605 1.00 13.24 O ATOM 970 CB ASN A 63 16.638 -6.498 0.487 1.00 4.32 C ATOM 971 CG ASN A 63 16.593 -7.117 -0.900 1.00 34.14 C ATOM 972 OD1 ASN A 63 15.897 -8.096 -1.142 1.00 52.11 O ATOM 973 ND2 ASN A 63 17.330 -6.542 -1.829 1.00 61.14 N ATOM 0 H ASN A 63 14.635 -5.411 -0.439 1.00 24.11 H new ATOM 0 HA ASN A 63 14.984 -7.588 1.343 1.00 41.40 H new ATOM 0 HB2 ASN A 63 16.962 -5.460 0.407 1.00 4.32 H new ATOM 0 HB3 ASN A 63 17.383 -7.019 1.089 1.00 4.32 H new ATOM 0 HD21 ASN A 63 17.331 -6.911 -2.780 1.00 61.14 H new ATOM 0 HD22 ASN A 63 17.899 -5.728 -1.597 1.00 61.14 H new ATOM 980 N ALA A 64 15.359 -4.549 2.601 1.00 62.22 N ATOM 981 CA ALA A 64 15.473 -3.775 3.845 1.00 3.41 C ATOM 982 C ALA A 64 14.343 -4.111 4.833 1.00 10.44 C ATOM 983 O ALA A 64 14.559 -4.176 6.045 1.00 62.33 O ATOM 984 CB ALA A 64 15.478 -2.281 3.537 1.00 31.14 C ATOM 0 H ALA A 64 15.239 -3.977 1.765 1.00 62.22 H new ATOM 0 HA ALA A 64 16.416 -4.048 4.318 1.00 3.41 H new ATOM 0 HB1 ALA A 64 15.563 -1.718 4.467 1.00 31.14 H new ATOM 0 HB2 ALA A 64 16.324 -2.045 2.892 1.00 31.14 H new ATOM 0 HB3 ALA A 64 14.550 -2.010 3.032 1.00 31.14 H new ATOM 990 N LEU A 65 13.139 -4.313 4.308 1.00 1.21 N ATOM 991 CA LEU A 65 11.986 -4.693 5.129 1.00 25.04 C ATOM 992 C LEU A 65 11.922 -6.217 5.337 1.00 22.12 C ATOM 993 O LEU A 65 11.193 -6.705 6.202 1.00 65.44 O ATOM 994 CB LEU A 65 10.693 -4.199 4.467 1.00 20.43 C ATOM 995 CG LEU A 65 10.585 -2.673 4.298 1.00 23.04 C ATOM 996 CD1 LEU A 65 9.358 -2.305 3.466 1.00 53.42 C ATOM 997 CD2 LEU A 65 10.538 -1.982 5.660 1.00 4.03 C ATOM 0 H LEU A 65 12.932 -4.220 3.314 1.00 1.21 H new ATOM 0 HA LEU A 65 12.097 -4.226 6.108 1.00 25.04 H new ATOM 0 HB2 LEU A 65 10.606 -4.664 3.485 1.00 20.43 H new ATOM 0 HB3 LEU A 65 9.846 -4.544 5.060 1.00 20.43 H new ATOM 0 HG LEU A 65 11.472 -2.327 3.768 1.00 23.04 H new ATOM 0 HD11 LEU A 65 9.302 -1.222 3.360 1.00 53.42 H new ATOM 0 HD12 LEU A 65 9.436 -2.763 2.480 1.00 53.42 H new ATOM 0 HD13 LEU A 65 8.459 -2.668 3.964 1.00 53.42 H new ATOM 0 HD21 LEU A 65 10.462 -0.904 5.519 1.00 4.03 H new ATOM 0 HD22 LEU A 65 9.672 -2.337 6.218 1.00 4.03 H new ATOM 0 HD23 LEU A 65 11.447 -2.212 6.216 1.00 4.03 H new ATOM 1009 N GLY A 66 12.689 -6.962 4.537 1.00 41.32 N ATOM 1010 CA GLY A 66 12.676 -8.421 4.617 1.00 75.10 C ATOM 1011 C GLY A 66 11.333 -9.018 4.209 1.00 14.21 C ATOM 1012 O GLY A 66 10.784 -9.883 4.898 1.00 21.33 O ATOM 0 H GLY A 66 13.321 -6.581 3.833 1.00 41.32 H new ATOM 0 HA2 GLY A 66 13.459 -8.824 3.974 1.00 75.10 H new ATOM 0 HA3 GLY A 66 12.911 -8.728 5.636 1.00 75.10 H new ATOM 1016 N LEU A 67 10.808 -8.551 3.082 1.00 44.33 N ATOM 1017 CA LEU A 67 9.481 -8.958 2.611 1.00 12.13 C ATOM 1018 C LEU A 67 9.520 -10.274 1.816 1.00 22.24 C ATOM 1019 O LEU A 67 10.578 -10.731 1.375 1.00 14.51 O ATOM 1020 CB LEU A 67 8.881 -7.845 1.744 1.00 52.52 C ATOM 1021 CG LEU A 67 8.626 -6.512 2.464 1.00 64.10 C ATOM 1022 CD1 LEU A 67 8.252 -5.416 1.469 1.00 71.03 C ATOM 1023 CD2 LEU A 67 7.534 -6.679 3.516 1.00 15.42 C ATOM 0 H LEU A 67 11.282 -7.886 2.471 1.00 44.33 H new ATOM 0 HA LEU A 67 8.859 -9.129 3.489 1.00 12.13 H new ATOM 0 HB2 LEU A 67 9.551 -7.662 0.904 1.00 52.52 H new ATOM 0 HB3 LEU A 67 7.938 -8.200 1.329 1.00 52.52 H new ATOM 0 HG LEU A 67 9.547 -6.211 2.963 1.00 64.10 H new ATOM 0 HD11 LEU A 67 8.077 -4.483 2.004 1.00 71.03 H new ATOM 0 HD12 LEU A 67 9.065 -5.278 0.757 1.00 71.03 H new ATOM 0 HD13 LEU A 67 7.346 -5.703 0.935 1.00 71.03 H new ATOM 0 HD21 LEU A 67 7.364 -5.727 4.018 1.00 15.42 H new ATOM 0 HD22 LEU A 67 6.612 -7.005 3.035 1.00 15.42 H new ATOM 0 HD23 LEU A 67 7.845 -7.425 4.248 1.00 15.42 H new ATOM 1035 N GLN A 68 8.346 -10.865 1.629 1.00 34.04 N ATOM 1036 CA GLN A 68 8.201 -12.111 0.874 1.00 72.12 C ATOM 1037 C GLN A 68 6.995 -12.014 -0.066 1.00 31.11 C ATOM 1038 O GLN A 68 5.876 -11.769 0.378 1.00 1.40 O ATOM 1039 CB GLN A 68 8.016 -13.287 1.835 1.00 50.35 C ATOM 1040 CG GLN A 68 8.066 -14.654 1.167 1.00 52.43 C ATOM 1041 CD GLN A 68 7.784 -15.781 2.143 1.00 44.23 C ATOM 1042 OE1 GLN A 68 8.686 -16.300 2.793 1.00 72.24 O ATOM 1043 NE2 GLN A 68 6.532 -16.173 2.246 1.00 51.11 N ATOM 0 H GLN A 68 7.467 -10.498 1.994 1.00 34.04 H new ATOM 0 HA GLN A 68 9.102 -12.273 0.283 1.00 72.12 H new ATOM 0 HB2 GLN A 68 8.790 -13.241 2.601 1.00 50.35 H new ATOM 0 HB3 GLN A 68 7.058 -13.179 2.344 1.00 50.35 H new ATOM 0 HG2 GLN A 68 7.338 -14.687 0.357 1.00 52.43 H new ATOM 0 HG3 GLN A 68 9.049 -14.801 0.719 1.00 52.43 H new ATOM 0 HE21 GLN A 68 5.808 -15.718 1.690 1.00 51.11 H new ATOM 0 HE22 GLN A 68 6.286 -16.931 2.882 1.00 51.11 H new ATOM 1052 N GLU A 69 7.226 -12.223 -1.357 1.00 65.14 N ATOM 1053 CA GLU A 69 6.191 -12.001 -2.380 1.00 71.42 C ATOM 1054 C GLU A 69 4.861 -12.684 -2.032 1.00 71.43 C ATOM 1055 O GLU A 69 4.669 -13.880 -2.265 1.00 24.42 O ATOM 1056 CB GLU A 69 6.694 -12.443 -3.759 1.00 31.01 C ATOM 1057 CG GLU A 69 7.742 -11.498 -4.336 1.00 62.02 C ATOM 1058 CD GLU A 69 8.229 -11.912 -5.718 1.00 60.50 C ATOM 1059 OE1 GLU A 69 7.388 -12.033 -6.636 1.00 50.23 O ATOM 1060 OE2 GLU A 69 9.450 -12.114 -5.894 1.00 4.31 O ATOM 0 H GLU A 69 8.119 -12.546 -1.728 1.00 65.14 H new ATOM 0 HA GLU A 69 5.991 -10.930 -2.407 1.00 71.42 H new ATOM 0 HB2 GLU A 69 7.117 -13.445 -3.682 1.00 31.01 H new ATOM 0 HB3 GLU A 69 5.850 -12.505 -4.446 1.00 31.01 H new ATOM 0 HG2 GLU A 69 7.324 -10.493 -4.392 1.00 62.02 H new ATOM 0 HG3 GLU A 69 8.593 -11.452 -3.657 1.00 62.02 H new ATOM 1067 N GLY A 70 3.951 -11.901 -1.450 1.00 13.43 N ATOM 1068 CA GLY A 70 2.647 -12.415 -1.048 1.00 31.01 C ATOM 1069 C GLY A 70 2.258 -12.071 0.393 1.00 20.40 C ATOM 1070 O GLY A 70 1.181 -12.464 0.849 1.00 45.43 O ATOM 0 H GLY A 70 4.095 -10.912 -1.248 1.00 13.43 H new ATOM 0 HA2 GLY A 70 1.888 -12.019 -1.723 1.00 31.01 H new ATOM 0 HA3 GLY A 70 2.643 -13.499 -1.165 1.00 31.01 H new ATOM 1074 N ASP A 71 3.124 -11.354 1.121 1.00 15.30 N ATOM 1075 CA ASP A 71 2.823 -10.960 2.508 1.00 44.54 C ATOM 1076 C ASP A 71 2.110 -9.591 2.587 1.00 34.23 C ATOM 1077 O ASP A 71 1.713 -9.022 1.566 1.00 73.02 O ATOM 1078 CB ASP A 71 4.102 -10.961 3.367 1.00 72.24 C ATOM 1079 CG ASP A 71 5.223 -10.086 2.828 1.00 33.03 C ATOM 1080 OD1 ASP A 71 5.046 -9.440 1.777 1.00 72.44 O ATOM 1081 OD2 ASP A 71 6.298 -10.055 3.462 1.00 54.20 O ATOM 0 H ASP A 71 4.031 -11.036 0.779 1.00 15.30 H new ATOM 0 HA ASP A 71 2.133 -11.703 2.909 1.00 44.54 H new ATOM 0 HB2 ASP A 71 3.849 -10.627 4.373 1.00 72.24 H new ATOM 0 HB3 ASP A 71 4.466 -11.985 3.453 1.00 72.24 H new ATOM 1086 N ARG A 72 1.943 -9.077 3.810 1.00 53.54 N ATOM 1087 CA ARG A 72 1.171 -7.846 4.046 1.00 35.01 C ATOM 1088 C ARG A 72 2.062 -6.674 4.500 1.00 50.10 C ATOM 1089 O ARG A 72 2.862 -6.805 5.433 1.00 50.21 O ATOM 1090 CB ARG A 72 0.109 -8.098 5.119 1.00 12.11 C ATOM 1091 CG ARG A 72 -0.734 -9.343 4.880 1.00 4.42 C ATOM 1092 CD ARG A 72 -1.699 -9.583 6.035 1.00 71.24 C ATOM 1093 NE ARG A 72 -2.384 -10.869 5.939 1.00 70.42 N ATOM 1094 CZ ARG A 72 -2.391 -11.764 6.891 1.00 63.35 C ATOM 1095 NH1 ARG A 72 -1.698 -11.582 7.971 1.00 61.14 N ATOM 1096 NH2 ARG A 72 -3.074 -12.850 6.749 1.00 41.34 N ATOM 0 H ARG A 72 2.332 -9.494 4.656 1.00 53.54 H new ATOM 0 HA ARG A 72 0.707 -7.574 3.098 1.00 35.01 H new ATOM 0 HB2 ARG A 72 0.601 -8.186 6.088 1.00 12.11 H new ATOM 0 HB3 ARG A 72 -0.550 -7.231 5.173 1.00 12.11 H new ATOM 0 HG2 ARG A 72 -1.294 -9.234 3.951 1.00 4.42 H new ATOM 0 HG3 ARG A 72 -0.083 -10.209 4.760 1.00 4.42 H new ATOM 0 HD2 ARG A 72 -1.151 -9.537 6.976 1.00 71.24 H new ATOM 0 HD3 ARG A 72 -2.439 -8.783 6.057 1.00 71.24 H new ATOM 0 HE ARG A 72 -2.887 -11.081 5.077 1.00 70.42 H new ATOM 0 HH11 ARG A 72 -1.141 -10.735 8.083 1.00 61.14 H new ATOM 0 HH12 ARG A 72 -1.709 -12.286 8.709 1.00 61.14 H new ATOM 0 HH21 ARG A 72 -3.608 -13.009 5.894 1.00 41.34 H new ATOM 0 HH22 ARG A 72 -3.080 -13.549 7.491 1.00 41.34 H new ATOM 1110 N VAL A 73 1.890 -5.520 3.858 1.00 3.13 N ATOM 1111 CA VAL A 73 2.601 -4.294 4.241 1.00 22.31 C ATOM 1112 C VAL A 73 1.625 -3.147 4.548 1.00 51.53 C ATOM 1113 O VAL A 73 0.604 -2.985 3.876 1.00 24.22 O ATOM 1114 CB VAL A 73 3.587 -3.830 3.136 1.00 64.42 C ATOM 1115 CG1 VAL A 73 4.713 -4.841 2.962 1.00 44.45 C ATOM 1116 CG2 VAL A 73 2.862 -3.595 1.811 1.00 60.51 C ATOM 0 H VAL A 73 1.260 -5.405 3.064 1.00 3.13 H new ATOM 0 HA VAL A 73 3.165 -4.539 5.141 1.00 22.31 H new ATOM 0 HB VAL A 73 4.021 -2.881 3.452 1.00 64.42 H new ATOM 0 HG11 VAL A 73 5.393 -4.497 2.183 1.00 44.45 H new ATOM 0 HG12 VAL A 73 5.258 -4.944 3.900 1.00 44.45 H new ATOM 0 HG13 VAL A 73 4.294 -5.807 2.678 1.00 44.45 H new ATOM 0 HG21 VAL A 73 3.579 -3.271 1.057 1.00 60.51 H new ATOM 0 HG22 VAL A 73 2.388 -4.521 1.487 1.00 60.51 H new ATOM 0 HG23 VAL A 73 2.102 -2.825 1.944 1.00 60.51 H new ATOM 1126 N LYS A 74 1.936 -2.359 5.572 1.00 73.40 N ATOM 1127 CA LYS A 74 1.148 -1.168 5.892 1.00 12.03 C ATOM 1128 C LYS A 74 1.816 0.094 5.327 1.00 45.32 C ATOM 1129 O LYS A 74 3.017 0.313 5.498 1.00 51.10 O ATOM 1130 CB LYS A 74 0.948 -1.020 7.412 1.00 24.10 C ATOM 1131 CG LYS A 74 0.266 0.291 7.805 1.00 64.51 C ATOM 1132 CD LYS A 74 0.010 0.397 9.308 1.00 14.32 C ATOM 1133 CE LYS A 74 -1.132 -0.499 9.759 1.00 64.02 C ATOM 1134 NZ LYS A 74 -1.435 -0.325 11.204 1.00 70.41 N ATOM 0 H LYS A 74 2.727 -2.521 6.196 1.00 73.40 H new ATOM 0 HA LYS A 74 0.169 -1.289 5.428 1.00 12.03 H new ATOM 0 HB2 LYS A 74 0.351 -1.856 7.776 1.00 24.10 H new ATOM 0 HB3 LYS A 74 1.917 -1.081 7.907 1.00 24.10 H new ATOM 0 HG2 LYS A 74 0.887 1.128 7.487 1.00 64.51 H new ATOM 0 HG3 LYS A 74 -0.681 0.377 7.273 1.00 64.51 H new ATOM 0 HD2 LYS A 74 0.917 0.128 9.849 1.00 14.32 H new ATOM 0 HD3 LYS A 74 -0.219 1.431 9.564 1.00 14.32 H new ATOM 0 HE2 LYS A 74 -2.023 -0.275 9.172 1.00 64.02 H new ATOM 0 HE3 LYS A 74 -0.875 -1.540 9.565 1.00 64.02 H new ATOM 0 HZ1 LYS A 74 -2.292 -0.862 11.446 1.00 70.41 H new ATOM 0 HZ2 LYS A 74 -0.636 -0.674 11.771 1.00 70.41 H new ATOM 0 HZ3 LYS A 74 -1.589 0.683 11.407 1.00 70.41 H new ATOM 1148 N VAL A 75 1.021 0.914 4.655 1.00 4.13 N ATOM 1149 CA VAL A 75 1.483 2.179 4.080 1.00 64.14 C ATOM 1150 C VAL A 75 0.954 3.348 4.915 1.00 34.44 C ATOM 1151 O VAL A 75 -0.242 3.429 5.191 1.00 75.52 O ATOM 1152 CB VAL A 75 1.009 2.329 2.614 1.00 44.33 C ATOM 1153 CG1 VAL A 75 1.492 3.649 2.011 1.00 15.11 C ATOM 1154 CG2 VAL A 75 1.477 1.139 1.776 1.00 60.34 C ATOM 0 H VAL A 75 0.033 0.724 4.490 1.00 4.13 H new ATOM 0 HA VAL A 75 2.573 2.183 4.090 1.00 64.14 H new ATOM 0 HB VAL A 75 -0.081 2.343 2.609 1.00 44.33 H new ATOM 0 HG11 VAL A 75 1.144 3.727 0.981 1.00 15.11 H new ATOM 0 HG12 VAL A 75 1.095 4.481 2.592 1.00 15.11 H new ATOM 0 HG13 VAL A 75 2.581 3.680 2.030 1.00 15.11 H new ATOM 0 HG21 VAL A 75 1.135 1.261 0.748 1.00 60.34 H new ATOM 0 HG22 VAL A 75 2.566 1.088 1.793 1.00 60.34 H new ATOM 0 HG23 VAL A 75 1.064 0.218 2.189 1.00 60.34 H new ATOM 1164 N LYS A 76 1.849 4.244 5.327 1.00 22.12 N ATOM 1165 CA LYS A 76 1.498 5.300 6.286 1.00 61.34 C ATOM 1166 C LYS A 76 1.957 6.687 5.825 1.00 3.33 C ATOM 1167 O LYS A 76 3.125 6.903 5.498 1.00 64.31 O ATOM 1168 CB LYS A 76 2.106 4.953 7.646 1.00 32.52 C ATOM 1169 CG LYS A 76 1.558 3.642 8.207 1.00 15.23 C ATOM 1170 CD LYS A 76 2.567 2.900 9.071 1.00 72.20 C ATOM 1171 CE LYS A 76 2.750 3.538 10.443 1.00 70.11 C ATOM 1172 NZ LYS A 76 3.645 2.733 11.322 1.00 42.32 N ATOM 0 H LYS A 76 2.820 4.264 5.016 1.00 22.12 H new ATOM 0 HA LYS A 76 0.412 5.347 6.361 1.00 61.34 H new ATOM 0 HB2 LYS A 76 3.189 4.880 7.550 1.00 32.52 H new ATOM 0 HB3 LYS A 76 1.902 5.760 8.349 1.00 32.52 H new ATOM 0 HG2 LYS A 76 0.665 3.850 8.797 1.00 15.23 H new ATOM 0 HG3 LYS A 76 1.252 2.999 7.382 1.00 15.23 H new ATOM 0 HD2 LYS A 76 2.242 1.867 9.196 1.00 72.20 H new ATOM 0 HD3 LYS A 76 3.528 2.872 8.557 1.00 72.20 H new ATOM 0 HE2 LYS A 76 3.164 4.539 10.324 1.00 70.11 H new ATOM 0 HE3 LYS A 76 1.778 3.650 10.922 1.00 70.11 H new ATOM 0 HZ1 LYS A 76 3.795 3.237 12.219 1.00 42.32 H new ATOM 0 HZ2 LYS A 76 3.205 1.810 11.513 1.00 42.32 H new ATOM 0 HZ3 LYS A 76 4.560 2.589 10.848 1.00 42.32 H new ATOM 1186 N THR A 77 1.013 7.620 5.819 1.00 54.22 N ATOM 1187 CA THR A 77 1.252 9.007 5.382 1.00 62.44 C ATOM 1188 C THR A 77 0.586 9.997 6.348 1.00 3.11 C ATOM 1189 O THR A 77 0.128 9.616 7.425 1.00 50.11 O ATOM 1190 CB THR A 77 0.691 9.280 3.965 1.00 13.05 C ATOM 1191 OG1 THR A 77 -0.744 9.271 3.997 1.00 20.42 O ATOM 1192 CG2 THR A 77 1.191 8.249 2.953 1.00 61.14 C ATOM 0 H THR A 77 0.053 7.444 6.117 1.00 54.22 H new ATOM 0 HA THR A 77 2.333 9.142 5.370 1.00 62.44 H new ATOM 0 HB THR A 77 1.046 10.261 3.650 1.00 13.05 H new ATOM 0 HG1 THR A 77 -1.092 9.282 3.081 1.00 20.42 H new ATOM 0 HG21 THR A 77 0.776 8.473 1.970 1.00 61.14 H new ATOM 0 HG22 THR A 77 2.279 8.285 2.904 1.00 61.14 H new ATOM 0 HG23 THR A 77 0.874 7.253 3.262 1.00 61.14 H new ATOM 1200 N GLU A 78 0.554 11.275 5.969 1.00 15.30 N ATOM 1201 CA GLU A 78 -0.120 12.304 6.772 1.00 55.23 C ATOM 1202 C GLU A 78 -1.649 12.229 6.619 1.00 40.32 C ATOM 1203 O GLU A 78 -2.390 12.845 7.390 1.00 32.34 O ATOM 1204 CB GLU A 78 0.372 13.700 6.369 1.00 50.03 C ATOM 1205 CG GLU A 78 0.049 14.081 4.925 1.00 41.11 C ATOM 1206 CD GLU A 78 0.507 15.488 4.576 1.00 3.32 C ATOM 1207 OE1 GLU A 78 1.681 15.656 4.188 1.00 70.13 O ATOM 1208 OE2 GLU A 78 -0.302 16.431 4.713 1.00 52.15 O ATOM 0 H GLU A 78 0.985 11.625 5.113 1.00 15.30 H new ATOM 0 HA GLU A 78 0.127 12.119 7.818 1.00 55.23 H new ATOM 0 HB2 GLU A 78 -0.073 14.438 7.037 1.00 50.03 H new ATOM 0 HB3 GLU A 78 1.451 13.749 6.514 1.00 50.03 H new ATOM 0 HG2 GLU A 78 0.525 13.370 4.250 1.00 41.11 H new ATOM 0 HG3 GLU A 78 -1.026 14.002 4.764 1.00 41.11 H new ATOM 1215 N PHE A 79 -2.116 11.485 5.615 1.00 73.12 N ATOM 1216 CA PHE A 79 -3.555 11.317 5.370 1.00 63.53 C ATOM 1217 C PHE A 79 -4.127 10.137 6.175 1.00 14.11 C ATOM 1218 O PHE A 79 -5.252 10.199 6.681 1.00 53.43 O ATOM 1219 CB PHE A 79 -3.821 11.111 3.869 1.00 2.23 C ATOM 1220 CG PHE A 79 -3.448 12.303 3.014 1.00 41.45 C ATOM 1221 CD1 PHE A 79 -4.327 13.366 2.867 1.00 30.54 C ATOM 1222 CD2 PHE A 79 -2.223 12.359 2.364 1.00 24.11 C ATOM 1223 CE1 PHE A 79 -3.993 14.458 2.089 1.00 74.43 C ATOM 1224 CE2 PHE A 79 -1.886 13.449 1.584 1.00 22.42 C ATOM 1225 CZ PHE A 79 -2.774 14.499 1.447 1.00 4.50 C ATOM 0 H PHE A 79 -1.519 10.987 4.955 1.00 73.12 H new ATOM 0 HA PHE A 79 -4.057 12.226 5.700 1.00 63.53 H new ATOM 0 HB2 PHE A 79 -3.262 10.240 3.526 1.00 2.23 H new ATOM 0 HB3 PHE A 79 -4.878 10.888 3.724 1.00 2.23 H new ATOM 0 HD1 PHE A 79 -5.284 13.340 3.367 1.00 30.54 H new ATOM 0 HD2 PHE A 79 -1.525 11.541 2.469 1.00 24.11 H new ATOM 0 HE1 PHE A 79 -4.687 15.279 1.984 1.00 74.43 H new ATOM 0 HE2 PHE A 79 -0.930 13.480 1.082 1.00 22.42 H new ATOM 0 HZ PHE A 79 -2.513 15.351 0.837 1.00 4.50 H new ATOM 1235 N GLY A 80 -3.346 9.060 6.287 1.00 45.12 N ATOM 1236 CA GLY A 80 -3.779 7.898 7.056 1.00 52.12 C ATOM 1237 C GLY A 80 -2.862 6.686 6.898 1.00 10.21 C ATOM 1238 O GLY A 80 -1.688 6.823 6.548 1.00 43.35 O ATOM 0 H GLY A 80 -2.424 8.971 5.860 1.00 45.12 H new ATOM 0 HA2 GLY A 80 -3.831 8.169 8.110 1.00 52.12 H new ATOM 0 HA3 GLY A 80 -4.788 7.623 6.747 1.00 52.12 H new ATOM 1242 N GLU A 81 -3.401 5.497 7.170 1.00 23.43 N ATOM 1243 CA GLU A 81 -2.641 4.245 7.058 1.00 14.53 C ATOM 1244 C GLU A 81 -3.527 3.091 6.553 1.00 62.03 C ATOM 1245 O GLU A 81 -4.696 2.984 6.927 1.00 72.22 O ATOM 1246 CB GLU A 81 -2.019 3.877 8.416 1.00 71.45 C ATOM 1247 CG GLU A 81 -3.023 3.818 9.566 1.00 42.12 C ATOM 1248 CD GLU A 81 -2.420 3.270 10.851 1.00 2.24 C ATOM 1249 OE1 GLU A 81 -1.671 4.003 11.530 1.00 41.13 O ATOM 1250 OE2 GLU A 81 -2.688 2.098 11.183 1.00 64.44 O ATOM 0 H GLU A 81 -4.367 5.371 7.472 1.00 23.43 H new ATOM 0 HA GLU A 81 -1.846 4.402 6.329 1.00 14.53 H new ATOM 0 HB2 GLU A 81 -1.527 2.909 8.328 1.00 71.45 H new ATOM 0 HB3 GLU A 81 -1.246 4.606 8.659 1.00 71.45 H new ATOM 0 HG2 GLU A 81 -3.414 4.818 9.752 1.00 42.12 H new ATOM 0 HG3 GLU A 81 -3.868 3.195 9.272 1.00 42.12 H new ATOM 1257 N VAL A 82 -2.962 2.229 5.705 1.00 63.14 N ATOM 1258 CA VAL A 82 -3.703 1.089 5.140 1.00 11.12 C ATOM 1259 C VAL A 82 -2.812 -0.163 5.015 1.00 23.34 C ATOM 1260 O VAL A 82 -1.610 -0.057 4.778 1.00 13.12 O ATOM 1261 CB VAL A 82 -4.292 1.447 3.748 1.00 4.13 C ATOM 1262 CG1 VAL A 82 -3.183 1.737 2.736 1.00 20.43 C ATOM 1263 CG2 VAL A 82 -5.224 0.344 3.244 1.00 1.24 C ATOM 0 H VAL A 82 -1.994 2.295 5.392 1.00 63.14 H new ATOM 0 HA VAL A 82 -4.518 0.865 5.829 1.00 11.12 H new ATOM 0 HB VAL A 82 -4.883 2.356 3.862 1.00 4.13 H new ATOM 0 HG11 VAL A 82 -3.626 1.984 1.771 1.00 20.43 H new ATOM 0 HG12 VAL A 82 -2.582 2.577 3.085 1.00 20.43 H new ATOM 0 HG13 VAL A 82 -2.549 0.857 2.629 1.00 20.43 H new ATOM 0 HG21 VAL A 82 -5.622 0.622 2.268 1.00 1.24 H new ATOM 0 HG22 VAL A 82 -4.669 -0.590 3.157 1.00 1.24 H new ATOM 0 HG23 VAL A 82 -6.047 0.213 3.947 1.00 1.24 H new ATOM 1273 N VAL A 83 -3.405 -1.346 5.190 1.00 65.12 N ATOM 1274 CA VAL A 83 -2.665 -2.614 5.074 1.00 21.23 C ATOM 1275 C VAL A 83 -3.007 -3.333 3.754 1.00 22.22 C ATOM 1276 O VAL A 83 -4.159 -3.708 3.525 1.00 33.41 O ATOM 1277 CB VAL A 83 -2.972 -3.562 6.268 1.00 71.11 C ATOM 1278 CG1 VAL A 83 -2.088 -4.810 6.219 1.00 2.02 C ATOM 1279 CG2 VAL A 83 -2.805 -2.839 7.607 1.00 22.05 C ATOM 0 H VAL A 83 -4.394 -1.457 5.412 1.00 65.12 H new ATOM 0 HA VAL A 83 -1.604 -2.366 5.085 1.00 21.23 H new ATOM 0 HB VAL A 83 -4.012 -3.875 6.180 1.00 71.11 H new ATOM 0 HG11 VAL A 83 -2.323 -5.456 7.065 1.00 2.02 H new ATOM 0 HG12 VAL A 83 -2.271 -5.349 5.289 1.00 2.02 H new ATOM 0 HG13 VAL A 83 -1.040 -4.515 6.268 1.00 2.02 H new ATOM 0 HG21 VAL A 83 -3.026 -3.528 8.422 1.00 22.05 H new ATOM 0 HG22 VAL A 83 -1.780 -2.482 7.702 1.00 22.05 H new ATOM 0 HG23 VAL A 83 -3.490 -1.992 7.651 1.00 22.05 H new ATOM 1289 N VAL A 84 -2.004 -3.510 2.889 1.00 44.32 N ATOM 1290 CA VAL A 84 -2.194 -4.146 1.571 1.00 54.41 C ATOM 1291 C VAL A 84 -1.207 -5.307 1.348 1.00 52.15 C ATOM 1292 O VAL A 84 -0.368 -5.594 2.202 1.00 71.41 O ATOM 1293 CB VAL A 84 -2.015 -3.116 0.423 1.00 70.04 C ATOM 1294 CG1 VAL A 84 -3.027 -1.978 0.546 1.00 70.50 C ATOM 1295 CG2 VAL A 84 -0.581 -2.577 0.397 1.00 62.24 C ATOM 0 H VAL A 84 -1.044 -3.221 3.075 1.00 44.32 H new ATOM 0 HA VAL A 84 -3.211 -4.537 1.561 1.00 54.41 H new ATOM 0 HB VAL A 84 -2.201 -3.626 -0.522 1.00 70.04 H new ATOM 0 HG11 VAL A 84 -2.880 -1.271 -0.270 1.00 70.50 H new ATOM 0 HG12 VAL A 84 -4.038 -2.383 0.497 1.00 70.50 H new ATOM 0 HG13 VAL A 84 -2.886 -1.467 1.499 1.00 70.50 H new ATOM 0 HG21 VAL A 84 -0.478 -1.857 -0.415 1.00 62.24 H new ATOM 0 HG22 VAL A 84 -0.359 -2.089 1.346 1.00 62.24 H new ATOM 0 HG23 VAL A 84 0.115 -3.401 0.242 1.00 62.24 H new ATOM 1305 N PHE A 85 -1.316 -5.982 0.200 1.00 31.42 N ATOM 1306 CA PHE A 85 -0.358 -7.038 -0.173 1.00 31.14 C ATOM 1307 C PHE A 85 0.908 -6.443 -0.818 1.00 42.14 C ATOM 1308 O PHE A 85 0.839 -5.460 -1.560 1.00 32.03 O ATOM 1309 CB PHE A 85 -1.005 -8.048 -1.136 1.00 60.31 C ATOM 1310 CG PHE A 85 -2.126 -8.856 -0.525 1.00 73.21 C ATOM 1311 CD1 PHE A 85 -1.857 -9.850 0.410 1.00 24.13 C ATOM 1312 CD2 PHE A 85 -3.448 -8.629 -0.890 1.00 52.31 C ATOM 1313 CE1 PHE A 85 -2.882 -10.596 0.965 1.00 71.44 C ATOM 1314 CE2 PHE A 85 -4.474 -9.373 -0.336 1.00 74.41 C ATOM 1315 CZ PHE A 85 -4.191 -10.356 0.591 1.00 53.53 C ATOM 0 H PHE A 85 -2.053 -5.821 -0.487 1.00 31.42 H new ATOM 0 HA PHE A 85 -0.070 -7.554 0.743 1.00 31.14 H new ATOM 0 HB2 PHE A 85 -1.390 -7.511 -2.003 1.00 60.31 H new ATOM 0 HB3 PHE A 85 -0.236 -8.730 -1.499 1.00 60.31 H new ATOM 0 HD1 PHE A 85 -0.836 -10.042 0.706 1.00 24.13 H new ATOM 0 HD2 PHE A 85 -3.677 -7.862 -1.615 1.00 52.31 H new ATOM 0 HE1 PHE A 85 -2.659 -11.365 1.690 1.00 71.44 H new ATOM 0 HE2 PHE A 85 -5.496 -9.185 -0.629 1.00 74.41 H new ATOM 0 HZ PHE A 85 -4.992 -10.937 1.024 1.00 53.53 H new ATOM 1325 N ALA A 86 2.062 -7.050 -0.544 1.00 41.24 N ATOM 1326 CA ALA A 86 3.343 -6.552 -1.063 1.00 42.15 C ATOM 1327 C ALA A 86 3.711 -7.170 -2.425 1.00 64.53 C ATOM 1328 O ALA A 86 3.571 -8.376 -2.637 1.00 64.53 O ATOM 1329 CB ALA A 86 4.454 -6.808 -0.050 1.00 14.22 C ATOM 0 H ALA A 86 2.140 -7.887 0.034 1.00 41.24 H new ATOM 0 HA ALA A 86 3.230 -5.479 -1.220 1.00 42.15 H new ATOM 0 HB1 ALA A 86 5.399 -6.435 -0.445 1.00 14.22 H new ATOM 0 HB2 ALA A 86 4.222 -6.293 0.882 1.00 14.22 H new ATOM 0 HB3 ALA A 86 4.536 -7.879 0.137 1.00 14.22 H new ATOM 1335 N LYS A 87 4.177 -6.327 -3.349 1.00 2.03 N ATOM 1336 CA LYS A 87 4.685 -6.780 -4.652 1.00 22.13 C ATOM 1337 C LYS A 87 6.018 -6.123 -4.996 1.00 14.21 C ATOM 1338 O LYS A 87 6.376 -5.083 -4.462 1.00 33.30 O ATOM 1339 CB LYS A 87 3.692 -6.490 -5.791 1.00 3.21 C ATOM 1340 CG LYS A 87 2.465 -7.384 -5.837 1.00 14.44 C ATOM 1341 CD LYS A 87 1.795 -7.285 -7.204 1.00 2.24 C ATOM 1342 CE LYS A 87 0.544 -8.135 -7.295 1.00 45.00 C ATOM 1343 NZ LYS A 87 0.070 -8.262 -8.701 1.00 41.23 N ATOM 0 H LYS A 87 4.214 -5.316 -3.219 1.00 2.03 H new ATOM 0 HA LYS A 87 4.821 -7.858 -4.560 1.00 22.13 H new ATOM 0 HB2 LYS A 87 3.362 -5.455 -5.706 1.00 3.21 H new ATOM 0 HB3 LYS A 87 4.220 -6.579 -6.740 1.00 3.21 H new ATOM 0 HG2 LYS A 87 2.750 -8.417 -5.637 1.00 14.44 H new ATOM 0 HG3 LYS A 87 1.762 -7.091 -5.057 1.00 14.44 H new ATOM 0 HD2 LYS A 87 1.540 -6.245 -7.407 1.00 2.24 H new ATOM 0 HD3 LYS A 87 2.500 -7.596 -7.975 1.00 2.24 H new ATOM 0 HE2 LYS A 87 0.746 -9.126 -6.887 1.00 45.00 H new ATOM 0 HE3 LYS A 87 -0.243 -7.693 -6.684 1.00 45.00 H new ATOM 0 HZ1 LYS A 87 -0.788 -8.850 -8.726 1.00 41.23 H new ATOM 0 HZ2 LYS A 87 -0.146 -7.318 -9.081 1.00 41.23 H new ATOM 0 HZ3 LYS A 87 0.812 -8.707 -9.279 1.00 41.23 H new ATOM 1357 N LYS A 88 6.750 -6.772 -5.882 1.00 52.42 N ATOM 1358 CA LYS A 88 8.000 -6.257 -6.406 1.00 52.13 C ATOM 1359 C LYS A 88 7.806 -5.821 -7.871 1.00 31.52 C ATOM 1360 O LYS A 88 7.811 -6.660 -8.774 1.00 20.25 O ATOM 1361 CB LYS A 88 9.048 -7.368 -6.303 1.00 21.42 C ATOM 1362 CG LYS A 88 10.471 -6.868 -6.360 1.00 22.45 C ATOM 1363 CD LYS A 88 11.481 -8.016 -6.304 1.00 25.50 C ATOM 1364 CE LYS A 88 11.380 -8.804 -4.999 1.00 11.21 C ATOM 1365 NZ LYS A 88 12.359 -9.921 -4.945 1.00 42.11 N ATOM 0 H LYS A 88 6.490 -7.682 -6.262 1.00 52.42 H new ATOM 0 HA LYS A 88 8.330 -5.388 -5.837 1.00 52.13 H new ATOM 0 HB2 LYS A 88 8.900 -7.909 -5.369 1.00 21.42 H new ATOM 0 HB3 LYS A 88 8.890 -8.080 -7.113 1.00 21.42 H new ATOM 0 HG2 LYS A 88 10.619 -6.298 -7.277 1.00 22.45 H new ATOM 0 HG3 LYS A 88 10.650 -6.186 -5.529 1.00 22.45 H new ATOM 0 HD2 LYS A 88 11.314 -8.687 -7.147 1.00 25.50 H new ATOM 0 HD3 LYS A 88 12.490 -7.617 -6.409 1.00 25.50 H new ATOM 0 HE2 LYS A 88 11.549 -8.133 -4.157 1.00 11.21 H new ATOM 0 HE3 LYS A 88 10.371 -9.201 -4.893 1.00 11.21 H new ATOM 0 HZ1 LYS A 88 12.515 -10.199 -3.955 1.00 42.11 H new ATOM 0 HZ2 LYS A 88 11.989 -10.733 -5.478 1.00 42.11 H new ATOM 0 HZ3 LYS A 88 13.260 -9.614 -5.364 1.00 42.11 H new ATOM 1379 N GLY A 89 7.626 -4.515 -8.113 1.00 32.22 N ATOM 1380 CA GLY A 89 7.148 -4.078 -9.429 1.00 43.02 C ATOM 1381 C GLY A 89 7.745 -2.778 -9.980 1.00 40.01 C ATOM 1382 O GLY A 89 7.180 -1.699 -9.790 1.00 44.33 O ATOM 0 H GLY A 89 7.797 -3.767 -7.441 1.00 32.22 H new ATOM 0 HA2 GLY A 89 7.347 -4.875 -10.146 1.00 43.02 H new ATOM 0 HA3 GLY A 89 6.066 -3.960 -9.376 1.00 43.02 H new ATOM 1386 N ASP A 90 8.891 -2.896 -10.658 1.00 42.13 N ATOM 1387 CA ASP A 90 9.405 -1.867 -11.590 1.00 10.02 C ATOM 1388 C ASP A 90 9.807 -0.514 -10.959 1.00 15.54 C ATOM 1389 O ASP A 90 10.526 0.268 -11.588 1.00 31.10 O ATOM 1390 CB ASP A 90 8.371 -1.624 -12.695 1.00 44.53 C ATOM 1391 CG ASP A 90 7.968 -2.908 -13.398 1.00 61.40 C ATOM 1392 OD1 ASP A 90 8.714 -3.364 -14.284 1.00 11.20 O ATOM 1393 OD2 ASP A 90 6.897 -3.466 -13.067 1.00 11.35 O ATOM 0 H ASP A 90 9.498 -3.712 -10.580 1.00 42.13 H new ATOM 0 HA ASP A 90 10.336 -2.281 -11.977 1.00 10.02 H new ATOM 0 HB2 ASP A 90 7.486 -1.154 -12.265 1.00 44.53 H new ATOM 0 HB3 ASP A 90 8.780 -0.925 -13.425 1.00 44.53 H new ATOM 1398 N VAL A 91 9.359 -0.226 -9.748 1.00 62.24 N ATOM 1399 CA VAL A 91 9.589 1.095 -9.139 1.00 73.22 C ATOM 1400 C VAL A 91 11.022 1.246 -8.583 1.00 30.55 C ATOM 1401 O VAL A 91 11.639 0.270 -8.152 1.00 1.13 O ATOM 1402 CB VAL A 91 8.565 1.377 -8.010 1.00 54.21 C ATOM 1403 CG1 VAL A 91 7.137 1.394 -8.557 1.00 24.22 C ATOM 1404 CG2 VAL A 91 8.700 0.350 -6.894 1.00 31.10 C ATOM 0 H VAL A 91 8.836 -0.877 -9.162 1.00 62.24 H new ATOM 0 HA VAL A 91 9.458 1.825 -9.937 1.00 73.22 H new ATOM 0 HB VAL A 91 8.780 2.363 -7.598 1.00 54.21 H new ATOM 0 HG11 VAL A 91 6.438 1.594 -7.744 1.00 24.22 H new ATOM 0 HG12 VAL A 91 7.046 2.174 -9.313 1.00 24.22 H new ATOM 0 HG13 VAL A 91 6.907 0.427 -9.004 1.00 24.22 H new ATOM 0 HG21 VAL A 91 7.973 0.565 -6.111 1.00 31.10 H new ATOM 0 HG22 VAL A 91 8.518 -0.648 -7.294 1.00 31.10 H new ATOM 0 HG23 VAL A 91 9.706 0.396 -6.477 1.00 31.10 H new ATOM 1414 N PRO A 92 11.575 2.483 -8.603 1.00 71.01 N ATOM 1415 CA PRO A 92 12.911 2.771 -8.043 1.00 10.45 C ATOM 1416 C PRO A 92 12.927 2.751 -6.507 1.00 73.23 C ATOM 1417 O PRO A 92 11.878 2.716 -5.862 1.00 64.40 O ATOM 1418 CB PRO A 92 13.215 4.179 -8.572 1.00 31.32 C ATOM 1419 CG PRO A 92 11.875 4.808 -8.751 1.00 13.43 C ATOM 1420 CD PRO A 92 10.949 3.696 -9.177 1.00 32.32 C ATOM 0 HA PRO A 92 13.646 2.021 -8.335 1.00 10.45 H new ATOM 0 HB2 PRO A 92 13.828 4.743 -7.869 1.00 31.32 H new ATOM 0 HB3 PRO A 92 13.764 4.140 -9.513 1.00 31.32 H new ATOM 0 HG2 PRO A 92 11.532 5.268 -7.824 1.00 13.43 H new ATOM 0 HG3 PRO A 92 11.911 5.596 -9.503 1.00 13.43 H new ATOM 0 HD2 PRO A 92 9.940 3.846 -8.794 1.00 32.32 H new ATOM 0 HD3 PRO A 92 10.872 3.632 -10.262 1.00 32.32 H new ATOM 1428 N LYS A 93 14.124 2.787 -5.924 1.00 63.41 N ATOM 1429 CA LYS A 93 14.272 2.719 -4.468 1.00 45.52 C ATOM 1430 C LYS A 93 13.730 3.988 -3.786 1.00 51.13 C ATOM 1431 O LYS A 93 13.829 5.090 -4.330 1.00 12.13 O ATOM 1432 CB LYS A 93 15.743 2.499 -4.087 1.00 15.00 C ATOM 1433 CG LYS A 93 15.925 2.093 -2.631 1.00 53.41 C ATOM 1434 CD LYS A 93 17.382 1.856 -2.265 1.00 21.44 C ATOM 1435 CE LYS A 93 17.509 1.291 -0.856 1.00 30.32 C ATOM 1436 NZ LYS A 93 16.826 2.143 0.153 1.00 75.13 N ATOM 0 H LYS A 93 15.004 2.863 -6.434 1.00 63.41 H new ATOM 0 HA LYS A 93 13.684 1.872 -4.116 1.00 45.52 H new ATOM 0 HB2 LYS A 93 16.168 1.728 -4.730 1.00 15.00 H new ATOM 0 HB3 LYS A 93 16.303 3.415 -4.276 1.00 15.00 H new ATOM 0 HG2 LYS A 93 15.515 2.871 -1.987 1.00 53.41 H new ATOM 0 HG3 LYS A 93 15.354 1.185 -2.437 1.00 53.41 H new ATOM 0 HD2 LYS A 93 17.832 1.166 -2.979 1.00 21.44 H new ATOM 0 HD3 LYS A 93 17.935 2.793 -2.336 1.00 21.44 H new ATOM 0 HE2 LYS A 93 17.085 0.287 -0.829 1.00 30.32 H new ATOM 0 HE3 LYS A 93 18.564 1.198 -0.597 1.00 30.32 H new ATOM 0 HZ1 LYS A 93 17.205 1.933 1.098 1.00 75.13 H new ATOM 0 HZ2 LYS A 93 16.990 3.145 -0.071 1.00 75.13 H new ATOM 0 HZ3 LYS A 93 15.805 1.948 0.138 1.00 75.13 H new ATOM 1450 N GLY A 94 13.173 3.824 -2.583 1.00 1.22 N ATOM 1451 CA GLY A 94 12.521 4.934 -1.891 1.00 53.34 C ATOM 1452 C GLY A 94 11.224 5.389 -2.565 1.00 74.00 C ATOM 1453 O GLY A 94 10.727 6.484 -2.300 1.00 14.01 O ATOM 0 H GLY A 94 13.161 2.941 -2.073 1.00 1.22 H new ATOM 0 HA2 GLY A 94 12.304 4.636 -0.865 1.00 53.34 H new ATOM 0 HA3 GLY A 94 13.211 5.777 -1.840 1.00 53.34 H new ATOM 1457 N MET A 95 10.661 4.539 -3.422 1.00 75.22 N ATOM 1458 CA MET A 95 9.448 4.879 -4.161 1.00 40.44 C ATOM 1459 C MET A 95 8.584 3.624 -4.390 1.00 10.52 C ATOM 1460 O MET A 95 9.105 2.565 -4.730 1.00 12.23 O ATOM 1461 CB MET A 95 9.854 5.507 -5.501 1.00 23.44 C ATOM 1462 CG MET A 95 8.764 6.327 -6.156 1.00 23.54 C ATOM 1463 SD MET A 95 9.354 7.165 -7.641 1.00 24.24 S ATOM 1464 CE MET A 95 8.024 8.322 -7.958 1.00 43.54 C ATOM 0 H MET A 95 11.027 3.608 -3.622 1.00 75.22 H new ATOM 0 HA MET A 95 8.853 5.589 -3.587 1.00 40.44 H new ATOM 0 HB2 MET A 95 10.726 6.142 -5.343 1.00 23.44 H new ATOM 0 HB3 MET A 95 10.157 4.714 -6.184 1.00 23.44 H new ATOM 0 HG2 MET A 95 7.927 5.678 -6.413 1.00 23.54 H new ATOM 0 HG3 MET A 95 8.389 7.065 -5.447 1.00 23.54 H new ATOM 0 HE1 MET A 95 7.573 8.101 -8.925 1.00 43.54 H new ATOM 0 HE2 MET A 95 7.269 8.232 -7.177 1.00 43.54 H new ATOM 0 HE3 MET A 95 8.419 9.338 -7.965 1.00 43.54 H new ATOM 1474 N ILE A 96 7.265 3.739 -4.197 1.00 24.30 N ATOM 1475 CA ILE A 96 6.350 2.595 -4.381 1.00 45.41 C ATOM 1476 C ILE A 96 5.085 2.998 -5.153 1.00 0.42 C ATOM 1477 O ILE A 96 4.575 4.108 -5.002 1.00 41.41 O ATOM 1478 CB ILE A 96 5.929 1.951 -3.026 1.00 31.13 C ATOM 1479 CG1 ILE A 96 5.182 2.963 -2.139 1.00 64.00 C ATOM 1480 CG2 ILE A 96 7.143 1.390 -2.289 1.00 62.45 C ATOM 1481 CD1 ILE A 96 4.633 2.368 -0.854 1.00 11.33 C ATOM 0 H ILE A 96 6.805 4.605 -3.915 1.00 24.30 H new ATOM 0 HA ILE A 96 6.909 1.860 -4.960 1.00 45.41 H new ATOM 0 HB ILE A 96 5.250 1.128 -3.248 1.00 31.13 H new ATOM 0 HG12 ILE A 96 5.858 3.781 -1.889 1.00 64.00 H new ATOM 0 HG13 ILE A 96 4.359 3.393 -2.709 1.00 64.00 H new ATOM 0 HG21 ILE A 96 6.823 0.946 -1.346 1.00 62.45 H new ATOM 0 HG22 ILE A 96 7.623 0.629 -2.904 1.00 62.45 H new ATOM 0 HG23 ILE A 96 7.851 2.194 -2.089 1.00 62.45 H new ATOM 0 HD11 ILE A 96 4.121 3.143 -0.284 1.00 11.33 H new ATOM 0 HD12 ILE A 96 3.931 1.570 -1.094 1.00 11.33 H new ATOM 0 HD13 ILE A 96 5.453 1.964 -0.261 1.00 11.33 H new ATOM 1493 N PHE A 97 4.577 2.086 -5.975 1.00 32.22 N ATOM 1494 CA PHE A 97 3.382 2.347 -6.783 1.00 35.11 C ATOM 1495 C PHE A 97 2.162 1.586 -6.238 1.00 30.44 C ATOM 1496 O PHE A 97 2.196 0.364 -6.098 1.00 32.43 O ATOM 1497 CB PHE A 97 3.639 1.938 -8.241 1.00 44.32 C ATOM 1498 CG PHE A 97 2.458 2.160 -9.160 1.00 4.12 C ATOM 1499 CD1 PHE A 97 2.287 3.373 -9.814 1.00 5.43 C ATOM 1500 CD2 PHE A 97 1.519 1.156 -9.364 1.00 11.54 C ATOM 1501 CE1 PHE A 97 1.207 3.577 -10.651 1.00 71.45 C ATOM 1502 CE2 PHE A 97 0.439 1.357 -10.200 1.00 72.53 C ATOM 1503 CZ PHE A 97 0.282 2.568 -10.843 1.00 23.01 C ATOM 0 H PHE A 97 4.973 1.155 -6.102 1.00 32.22 H new ATOM 0 HA PHE A 97 3.167 3.414 -6.733 1.00 35.11 H new ATOM 0 HB2 PHE A 97 4.492 2.501 -8.620 1.00 44.32 H new ATOM 0 HB3 PHE A 97 3.915 0.884 -8.269 1.00 44.32 H new ATOM 0 HD1 PHE A 97 3.006 4.165 -9.667 1.00 5.43 H new ATOM 0 HD2 PHE A 97 1.636 0.207 -8.862 1.00 11.54 H new ATOM 0 HE1 PHE A 97 1.086 4.524 -11.155 1.00 71.45 H new ATOM 0 HE2 PHE A 97 -0.282 0.567 -10.351 1.00 72.53 H new ATOM 0 HZ PHE A 97 -0.563 2.727 -11.496 1.00 23.01 H new ATOM 1513 N ILE A 98 1.086 2.308 -5.930 1.00 73.41 N ATOM 1514 CA ILE A 98 -0.168 1.680 -5.493 1.00 21.20 C ATOM 1515 C ILE A 98 -1.326 2.035 -6.441 1.00 65.23 C ATOM 1516 O ILE A 98 -1.561 3.204 -6.737 1.00 30.14 O ATOM 1517 CB ILE A 98 -0.543 2.096 -4.046 1.00 62.41 C ATOM 1518 CG1 ILE A 98 0.579 1.695 -3.073 1.00 41.42 C ATOM 1519 CG2 ILE A 98 -1.877 1.470 -3.625 1.00 20.51 C ATOM 1520 CD1 ILE A 98 0.267 1.975 -1.618 1.00 45.15 C ATOM 0 H ILE A 98 1.053 3.327 -5.974 1.00 73.41 H new ATOM 0 HA ILE A 98 -0.004 0.603 -5.515 1.00 21.20 H new ATOM 0 HB ILE A 98 -0.659 3.179 -4.017 1.00 62.41 H new ATOM 0 HG12 ILE A 98 0.784 0.631 -3.191 1.00 41.42 H new ATOM 0 HG13 ILE A 98 1.490 2.227 -3.347 1.00 41.42 H new ATOM 0 HG21 ILE A 98 -2.118 1.777 -2.607 1.00 20.51 H new ATOM 0 HG22 ILE A 98 -2.665 1.804 -4.300 1.00 20.51 H new ATOM 0 HG23 ILE A 98 -1.799 0.384 -3.668 1.00 20.51 H new ATOM 0 HD11 ILE A 98 1.108 1.663 -0.999 1.00 45.15 H new ATOM 0 HD12 ILE A 98 0.092 3.042 -1.482 1.00 45.15 H new ATOM 0 HD13 ILE A 98 -0.624 1.421 -1.324 1.00 45.15 H new ATOM 1532 N PRO A 99 -2.055 1.028 -6.952 1.00 74.34 N ATOM 1533 CA PRO A 99 -3.218 1.263 -7.828 1.00 15.32 C ATOM 1534 C PRO A 99 -4.299 2.151 -7.174 1.00 70.51 C ATOM 1535 O PRO A 99 -4.636 1.986 -5.999 1.00 31.10 O ATOM 1536 CB PRO A 99 -3.752 -0.152 -8.089 1.00 24.25 C ATOM 1537 CG PRO A 99 -2.584 -1.050 -7.857 1.00 14.43 C ATOM 1538 CD PRO A 99 -1.796 -0.409 -6.749 1.00 34.22 C ATOM 0 HA PRO A 99 -2.941 1.804 -8.733 1.00 15.32 H new ATOM 0 HB2 PRO A 99 -4.576 -0.394 -7.418 1.00 24.25 H new ATOM 0 HB3 PRO A 99 -4.130 -0.250 -9.106 1.00 24.25 H new ATOM 0 HG2 PRO A 99 -2.909 -2.052 -7.578 1.00 14.43 H new ATOM 0 HG3 PRO A 99 -1.981 -1.150 -8.760 1.00 14.43 H new ATOM 0 HD2 PRO A 99 -2.131 -0.746 -5.768 1.00 34.22 H new ATOM 0 HD3 PRO A 99 -0.734 -0.643 -6.821 1.00 34.22 H new ATOM 1546 N MET A 100 -4.836 3.093 -7.950 1.00 3.32 N ATOM 1547 CA MET A 100 -5.846 4.036 -7.462 1.00 73.24 C ATOM 1548 C MET A 100 -7.100 3.293 -6.978 1.00 33.44 C ATOM 1549 O MET A 100 -7.883 2.783 -7.781 1.00 44.11 O ATOM 1550 CB MET A 100 -6.214 5.028 -8.579 1.00 40.52 C ATOM 1551 CG MET A 100 -6.798 6.359 -8.098 1.00 40.13 C ATOM 1552 SD MET A 100 -8.192 6.179 -6.964 1.00 3.53 S ATOM 1553 CE MET A 100 -7.376 6.345 -5.375 1.00 14.04 C ATOM 0 H MET A 100 -4.586 3.225 -8.930 1.00 3.32 H new ATOM 0 HA MET A 100 -5.430 4.584 -6.617 1.00 73.24 H new ATOM 0 HB2 MET A 100 -5.322 5.233 -9.170 1.00 40.52 H new ATOM 0 HB3 MET A 100 -6.935 4.552 -9.244 1.00 40.52 H new ATOM 0 HG2 MET A 100 -6.013 6.932 -7.605 1.00 40.13 H new ATOM 0 HG3 MET A 100 -7.119 6.938 -8.964 1.00 40.13 H new ATOM 0 HE1 MET A 100 -7.700 5.541 -4.714 1.00 14.04 H new ATOM 0 HE2 MET A 100 -6.296 6.288 -5.513 1.00 14.04 H new ATOM 0 HE3 MET A 100 -7.635 7.306 -4.932 1.00 14.04 H new ATOM 1563 N GLY A 101 -7.272 3.222 -5.662 1.00 13.44 N ATOM 1564 CA GLY A 101 -8.433 2.549 -5.094 1.00 34.53 C ATOM 1565 C GLY A 101 -8.697 2.958 -3.654 1.00 54.55 C ATOM 1566 O GLY A 101 -8.014 3.834 -3.128 1.00 70.31 O ATOM 0 H GLY A 101 -6.629 3.618 -4.976 1.00 13.44 H new ATOM 0 HA2 GLY A 101 -9.311 2.774 -5.699 1.00 34.53 H new ATOM 0 HA3 GLY A 101 -8.282 1.470 -5.140 1.00 34.53 H new ATOM 1570 N PRO A 102 -9.671 2.320 -2.976 1.00 4.00 N ATOM 1571 CA PRO A 102 -10.007 2.645 -1.580 1.00 64.11 C ATOM 1572 C PRO A 102 -8.788 2.531 -0.654 1.00 41.02 C ATOM 1573 O PRO A 102 -8.618 3.332 0.260 1.00 74.34 O ATOM 1574 CB PRO A 102 -11.090 1.612 -1.209 1.00 71.40 C ATOM 1575 CG PRO A 102 -10.993 0.546 -2.255 1.00 21.24 C ATOM 1576 CD PRO A 102 -10.504 1.231 -3.504 1.00 25.44 C ATOM 0 HA PRO A 102 -10.348 3.674 -1.469 1.00 64.11 H new ATOM 0 HB2 PRO A 102 -10.919 1.203 -0.213 1.00 71.40 H new ATOM 0 HB3 PRO A 102 -12.081 2.066 -1.201 1.00 71.40 H new ATOM 0 HG2 PRO A 102 -10.305 -0.241 -1.947 1.00 21.24 H new ATOM 0 HG3 PRO A 102 -11.962 0.075 -2.422 1.00 21.24 H new ATOM 0 HD2 PRO A 102 -9.931 0.554 -4.138 1.00 25.44 H new ATOM 0 HD3 PRO A 102 -11.329 1.610 -4.107 1.00 25.44 H new ATOM 1584 N TYR A 103 -7.930 1.551 -0.937 1.00 61.33 N ATOM 1585 CA TYR A 103 -6.688 1.343 -0.184 1.00 15.23 C ATOM 1586 C TYR A 103 -5.765 2.565 -0.310 1.00 24.03 C ATOM 1587 O TYR A 103 -5.348 3.153 0.688 1.00 73.44 O ATOM 1588 CB TYR A 103 -5.971 0.086 -0.705 1.00 50.02 C ATOM 1589 CG TYR A 103 -6.800 -1.185 -0.592 1.00 62.11 C ATOM 1590 CD1 TYR A 103 -7.846 -1.442 -1.475 1.00 31.24 C ATOM 1591 CD2 TYR A 103 -6.542 -2.123 0.401 1.00 1.20 C ATOM 1592 CE1 TYR A 103 -8.606 -2.592 -1.371 1.00 41.50 C ATOM 1593 CE2 TYR A 103 -7.297 -3.275 0.511 1.00 65.44 C ATOM 1594 CZ TYR A 103 -8.330 -3.505 -0.375 1.00 30.01 C ATOM 1595 OH TYR A 103 -9.088 -4.655 -0.267 1.00 1.51 O ATOM 0 H TYR A 103 -8.073 0.880 -1.692 1.00 61.33 H new ATOM 0 HA TYR A 103 -6.936 1.208 0.869 1.00 15.23 H new ATOM 0 HB2 TYR A 103 -5.700 0.240 -1.749 1.00 50.02 H new ATOM 0 HB3 TYR A 103 -5.042 -0.047 -0.151 1.00 50.02 H new ATOM 0 HD1 TYR A 103 -8.068 -0.729 -2.256 1.00 31.24 H new ATOM 0 HD2 TYR A 103 -5.737 -1.948 1.099 1.00 1.20 H new ATOM 0 HE1 TYR A 103 -9.412 -2.775 -2.066 1.00 41.50 H new ATOM 0 HE2 TYR A 103 -7.080 -3.993 1.288 1.00 65.44 H new ATOM 0 HH TYR A 103 -8.763 -5.192 0.486 1.00 1.51 H new ATOM 1605 N ALA A 104 -5.474 2.962 -1.548 1.00 72.43 N ATOM 1606 CA ALA A 104 -4.652 4.147 -1.807 1.00 31.54 C ATOM 1607 C ALA A 104 -5.334 5.424 -1.289 1.00 33.11 C ATOM 1608 O ALA A 104 -4.679 6.342 -0.804 1.00 72.43 O ATOM 1609 CB ALA A 104 -4.362 4.263 -3.302 1.00 24.43 C ATOM 0 H ALA A 104 -5.795 2.481 -2.389 1.00 72.43 H new ATOM 0 HA ALA A 104 -3.711 4.034 -1.269 1.00 31.54 H new ATOM 0 HB1 ALA A 104 -3.751 5.146 -3.487 1.00 24.43 H new ATOM 0 HB2 ALA A 104 -3.828 3.375 -3.639 1.00 24.43 H new ATOM 0 HB3 ALA A 104 -5.301 4.351 -3.849 1.00 24.43 H new ATOM 1615 N ASN A 105 -6.663 5.447 -1.356 1.00 5.21 N ATOM 1616 CA ASN A 105 -7.461 6.615 -0.958 1.00 44.50 C ATOM 1617 C ASN A 105 -7.284 6.950 0.537 1.00 33.30 C ATOM 1618 O ASN A 105 -7.631 8.043 0.990 1.00 12.33 O ATOM 1619 CB ASN A 105 -8.939 6.348 -1.302 1.00 75.11 C ATOM 1620 CG ASN A 105 -9.901 7.336 -0.671 1.00 32.25 C ATOM 1621 OD1 ASN A 105 -10.174 8.405 -1.211 1.00 41.32 O ATOM 1622 ND2 ASN A 105 -10.441 6.969 0.472 1.00 21.33 N ATOM 0 H ASN A 105 -7.221 4.660 -1.687 1.00 5.21 H new ATOM 0 HA ASN A 105 -7.111 7.487 -1.510 1.00 44.50 H new ATOM 0 HB2 ASN A 105 -9.061 6.376 -2.385 1.00 75.11 H new ATOM 0 HB3 ASN A 105 -9.202 5.341 -0.978 1.00 75.11 H new ATOM 0 HD21 ASN A 105 -11.111 7.580 0.939 1.00 21.33 H new ATOM 0 HD22 ASN A 105 -10.190 6.073 0.890 1.00 21.33 H new ATOM 1629 N MET A 106 -6.726 6.007 1.294 1.00 32.01 N ATOM 1630 CA MET A 106 -6.488 6.202 2.730 1.00 25.34 C ATOM 1631 C MET A 106 -5.174 6.953 2.991 1.00 32.24 C ATOM 1632 O MET A 106 -4.998 7.562 4.047 1.00 45.54 O ATOM 1633 CB MET A 106 -6.437 4.846 3.444 1.00 24.20 C ATOM 1634 CG MET A 106 -7.567 3.910 3.055 1.00 52.14 C ATOM 1635 SD MET A 106 -7.563 2.379 4.006 1.00 73.00 S ATOM 1636 CE MET A 106 -7.781 2.998 5.671 1.00 52.24 C ATOM 0 H MET A 106 -6.429 5.098 0.940 1.00 32.01 H new ATOM 0 HA MET A 106 -7.312 6.801 3.118 1.00 25.34 H new ATOM 0 HB2 MET A 106 -5.485 4.364 3.222 1.00 24.20 H new ATOM 0 HB3 MET A 106 -6.468 5.011 4.521 1.00 24.20 H new ATOM 0 HG2 MET A 106 -8.520 4.419 3.198 1.00 52.14 H new ATOM 0 HG3 MET A 106 -7.488 3.674 1.994 1.00 52.14 H new ATOM 0 HE1 MET A 106 -8.045 2.174 6.334 1.00 52.24 H new ATOM 0 HE2 MET A 106 -6.853 3.456 6.013 1.00 52.24 H new ATOM 0 HE3 MET A 106 -8.578 3.742 5.681 1.00 52.24 H new ATOM 1646 N VAL A 107 -4.252 6.901 2.026 1.00 42.42 N ATOM 1647 CA VAL A 107 -2.894 7.429 2.225 1.00 32.11 C ATOM 1648 C VAL A 107 -2.497 8.486 1.179 1.00 1.42 C ATOM 1649 O VAL A 107 -1.555 9.252 1.392 1.00 3.04 O ATOM 1650 CB VAL A 107 -1.848 6.285 2.204 1.00 11.14 C ATOM 1651 CG1 VAL A 107 -2.079 5.315 3.360 1.00 74.04 C ATOM 1652 CG2 VAL A 107 -1.873 5.547 0.867 1.00 63.54 C ATOM 0 H VAL A 107 -4.417 6.501 1.102 1.00 42.42 H new ATOM 0 HA VAL A 107 -2.905 7.913 3.202 1.00 32.11 H new ATOM 0 HB VAL A 107 -0.861 6.731 2.327 1.00 11.14 H new ATOM 0 HG11 VAL A 107 -1.333 4.521 3.324 1.00 74.04 H new ATOM 0 HG12 VAL A 107 -1.994 5.850 4.306 1.00 74.04 H new ATOM 0 HG13 VAL A 107 -3.075 4.880 3.277 1.00 74.04 H new ATOM 0 HG21 VAL A 107 -1.130 4.749 0.878 1.00 63.54 H new ATOM 0 HG22 VAL A 107 -2.863 5.119 0.706 1.00 63.54 H new ATOM 0 HG23 VAL A 107 -1.644 6.245 0.062 1.00 63.54 H new ATOM 1662 N ILE A 108 -3.198 8.533 0.054 1.00 32.05 N ATOM 1663 CA ILE A 108 -2.855 9.478 -1.012 1.00 63.50 C ATOM 1664 C ILE A 108 -3.702 10.759 -0.935 1.00 21.41 C ATOM 1665 O ILE A 108 -4.587 10.892 -0.091 1.00 31.41 O ATOM 1666 CB ILE A 108 -3.020 8.857 -2.421 1.00 3.20 C ATOM 1667 CG1 ILE A 108 -4.495 8.770 -2.815 1.00 45.31 C ATOM 1668 CG2 ILE A 108 -2.376 7.470 -2.494 1.00 44.44 C ATOM 1669 CD1 ILE A 108 -4.674 8.482 -4.280 1.00 14.20 C ATOM 0 H ILE A 108 -4.000 7.936 -0.148 1.00 32.05 H new ATOM 0 HA ILE A 108 -1.806 9.729 -0.856 1.00 63.50 H new ATOM 0 HB ILE A 108 -2.510 9.513 -3.126 1.00 3.20 H new ATOM 0 HG12 ILE A 108 -4.980 7.988 -2.231 1.00 45.31 H new ATOM 0 HG13 ILE A 108 -4.992 9.708 -2.567 1.00 45.31 H new ATOM 0 HG21 ILE A 108 -2.508 7.060 -3.495 1.00 44.44 H new ATOM 0 HG22 ILE A 108 -1.312 7.551 -2.273 1.00 44.44 H new ATOM 0 HG23 ILE A 108 -2.849 6.811 -1.766 1.00 44.44 H new ATOM 0 HD11 ILE A 108 -5.737 8.429 -4.513 1.00 14.20 H new ATOM 0 HD12 ILE A 108 -4.213 9.277 -4.866 1.00 14.20 H new ATOM 0 HD13 ILE A 108 -4.201 7.531 -4.524 1.00 14.20 H new ATOM 1681 N ASP A 109 -3.421 11.694 -1.838 1.00 61.21 N ATOM 1682 CA ASP A 109 -4.191 12.930 -1.958 1.00 63.32 C ATOM 1683 C ASP A 109 -5.214 12.808 -3.102 1.00 33.23 C ATOM 1684 O ASP A 109 -4.850 12.860 -4.277 1.00 0.31 O ATOM 1685 CB ASP A 109 -3.242 14.102 -2.212 1.00 11.41 C ATOM 1686 CG ASP A 109 -3.972 15.429 -2.351 1.00 64.04 C ATOM 1687 OD1 ASP A 109 -4.173 16.110 -1.331 1.00 61.13 O ATOM 1688 OD2 ASP A 109 -4.335 15.802 -3.488 1.00 64.03 O ATOM 0 H ASP A 109 -2.655 11.617 -2.507 1.00 61.21 H new ATOM 0 HA ASP A 109 -4.733 13.108 -1.029 1.00 63.32 H new ATOM 0 HB2 ASP A 109 -2.527 14.170 -1.392 1.00 11.41 H new ATOM 0 HB3 ASP A 109 -2.669 13.910 -3.119 1.00 11.41 H new ATOM 1862 N GLY A 122 3.765 11.020 -6.961 1.00 61.54 N ATOM 1863 CA GLY A 122 3.167 10.242 -5.886 1.00 30.22 C ATOM 1864 C GLY A 122 3.192 10.965 -4.544 1.00 71.11 C ATOM 1865 O GLY A 122 4.010 11.867 -4.328 1.00 40.22 O ATOM 0 HA2 GLY A 122 2.135 10.006 -6.146 1.00 30.22 H new ATOM 0 HA3 GLY A 122 3.697 9.294 -5.792 1.00 30.22 H new ATOM 1869 N VAL A 123 2.300 10.568 -3.645 1.00 25.53 N ATOM 1870 CA VAL A 123 2.239 11.151 -2.297 1.00 44.12 C ATOM 1871 C VAL A 123 3.339 10.577 -1.386 1.00 11.04 C ATOM 1872 O VAL A 123 3.415 9.370 -1.169 1.00 31.12 O ATOM 1873 CB VAL A 123 0.856 10.907 -1.646 1.00 1.13 C ATOM 1874 CG1 VAL A 123 0.781 11.528 -0.248 1.00 3.11 C ATOM 1875 CG2 VAL A 123 -0.252 11.450 -2.548 1.00 73.00 C ATOM 0 H VAL A 123 1.604 9.843 -3.819 1.00 25.53 H new ATOM 0 HA VAL A 123 2.398 12.224 -2.407 1.00 44.12 H new ATOM 0 HB VAL A 123 0.716 9.832 -1.531 1.00 1.13 H new ATOM 0 HG11 VAL A 123 -0.203 11.339 0.182 1.00 3.11 H new ATOM 0 HG12 VAL A 123 1.546 11.084 0.389 1.00 3.11 H new ATOM 0 HG13 VAL A 123 0.946 12.603 -0.318 1.00 3.11 H new ATOM 0 HG21 VAL A 123 -1.221 11.273 -2.081 1.00 73.00 H new ATOM 0 HG22 VAL A 123 -0.110 12.521 -2.695 1.00 73.00 H new ATOM 0 HG23 VAL A 123 -0.217 10.944 -3.513 1.00 73.00 H new ATOM 1885 N LYS A 124 4.182 11.452 -0.848 1.00 0.25 N ATOM 1886 CA LYS A 124 5.314 11.035 -0.009 1.00 3.42 C ATOM 1887 C LYS A 124 4.839 10.474 1.343 1.00 70.52 C ATOM 1888 O LYS A 124 4.020 11.085 2.028 1.00 41.04 O ATOM 1889 CB LYS A 124 6.283 12.213 0.217 1.00 23.20 C ATOM 1890 CG LYS A 124 7.122 12.597 -1.010 1.00 25.23 C ATOM 1891 CD LYS A 124 6.257 12.987 -2.209 1.00 63.11 C ATOM 1892 CE LYS A 124 7.093 13.406 -3.413 1.00 72.31 C ATOM 1893 NZ LYS A 124 6.255 13.605 -4.627 1.00 75.14 N ATOM 0 H LYS A 124 4.107 12.461 -0.976 1.00 0.25 H new ATOM 0 HA LYS A 124 5.839 10.239 -0.538 1.00 3.42 H new ATOM 0 HB2 LYS A 124 5.708 13.083 0.534 1.00 23.20 H new ATOM 0 HB3 LYS A 124 6.956 11.960 1.036 1.00 23.20 H new ATOM 0 HG2 LYS A 124 7.778 13.429 -0.753 1.00 25.23 H new ATOM 0 HG3 LYS A 124 7.763 11.759 -1.285 1.00 25.23 H new ATOM 0 HD2 LYS A 124 5.622 12.145 -2.485 1.00 63.11 H new ATOM 0 HD3 LYS A 124 5.595 13.806 -1.926 1.00 63.11 H new ATOM 0 HE2 LYS A 124 7.624 14.330 -3.183 1.00 72.31 H new ATOM 0 HE3 LYS A 124 7.848 12.646 -3.613 1.00 72.31 H new ATOM 0 HZ1 LYS A 124 6.767 13.259 -5.463 1.00 75.14 H new ATOM 0 HZ2 LYS A 124 5.364 13.078 -4.524 1.00 75.14 H new ATOM 0 HZ3 LYS A 124 6.047 14.617 -4.743 1.00 75.14 H new ATOM 1907 N GLY A 125 5.365 9.307 1.719 1.00 61.30 N ATOM 1908 CA GLY A 125 4.988 8.678 2.980 1.00 33.52 C ATOM 1909 C GLY A 125 5.995 7.633 3.461 1.00 23.11 C ATOM 1910 O GLY A 125 7.204 7.779 3.258 1.00 4.53 O ATOM 0 H GLY A 125 6.048 8.784 1.171 1.00 61.30 H new ATOM 0 HA2 GLY A 125 4.881 9.448 3.744 1.00 33.52 H new ATOM 0 HA3 GLY A 125 4.012 8.206 2.865 1.00 33.52 H new ATOM 1914 N THR A 126 5.495 6.583 4.110 1.00 61.30 N ATOM 1915 CA THR A 126 6.345 5.496 4.636 1.00 63.53 C ATOM 1916 C THR A 126 5.698 4.120 4.421 1.00 41.10 C ATOM 1917 O THR A 126 4.492 4.017 4.194 1.00 71.14 O ATOM 1918 CB THR A 126 6.627 5.667 6.153 1.00 75.34 C ATOM 1919 OG1 THR A 126 5.394 5.793 6.877 1.00 22.21 O ATOM 1920 CG2 THR A 126 7.511 6.884 6.427 1.00 2.21 C ATOM 0 H THR A 126 4.499 6.454 4.289 1.00 61.30 H new ATOM 0 HA THR A 126 7.283 5.553 4.083 1.00 63.53 H new ATOM 0 HB THR A 126 7.159 4.777 6.491 1.00 75.34 H new ATOM 0 HG1 THR A 126 4.683 6.078 6.265 1.00 22.21 H new ATOM 0 HG21 THR A 126 7.687 6.972 7.499 1.00 2.21 H new ATOM 0 HG22 THR A 126 8.464 6.765 5.911 1.00 2.21 H new ATOM 0 HG23 THR A 126 7.013 7.784 6.066 1.00 2.21 H new ATOM 1928 N VAL A 127 6.509 3.064 4.493 1.00 14.23 N ATOM 1929 CA VAL A 127 6.007 1.690 4.360 1.00 31.11 C ATOM 1930 C VAL A 127 6.697 0.739 5.356 1.00 12.22 C ATOM 1931 O VAL A 127 7.882 0.890 5.666 1.00 65.44 O ATOM 1932 CB VAL A 127 6.202 1.156 2.915 1.00 43.54 C ATOM 1933 CG1 VAL A 127 7.685 1.040 2.565 1.00 14.44 C ATOM 1934 CG2 VAL A 127 5.482 -0.181 2.726 1.00 43.21 C ATOM 0 H VAL A 127 7.516 3.130 4.642 1.00 14.23 H new ATOM 0 HA VAL A 127 4.941 1.720 4.585 1.00 31.11 H new ATOM 0 HB VAL A 127 5.757 1.876 2.228 1.00 43.54 H new ATOM 0 HG11 VAL A 127 7.790 0.664 1.547 1.00 14.44 H new ATOM 0 HG12 VAL A 127 8.154 2.021 2.639 1.00 14.44 H new ATOM 0 HG13 VAL A 127 8.170 0.352 3.258 1.00 14.44 H new ATOM 0 HG21 VAL A 127 5.633 -0.535 1.706 1.00 43.21 H new ATOM 0 HG22 VAL A 127 5.883 -0.913 3.427 1.00 43.21 H new ATOM 0 HG23 VAL A 127 4.416 -0.049 2.910 1.00 43.21 H new ATOM 1944 N GLU A 128 5.935 -0.230 5.859 1.00 23.11 N ATOM 1945 CA GLU A 128 6.446 -1.228 6.807 1.00 62.43 C ATOM 1946 C GLU A 128 5.680 -2.556 6.684 1.00 24.31 C ATOM 1947 O GLU A 128 4.543 -2.581 6.220 1.00 60.34 O ATOM 1948 CB GLU A 128 6.315 -0.686 8.239 1.00 62.15 C ATOM 1949 CG GLU A 128 4.906 -0.185 8.570 1.00 74.45 C ATOM 1950 CD GLU A 128 4.763 0.350 9.988 1.00 23.02 C ATOM 1951 OE1 GLU A 128 5.604 1.169 10.410 1.00 62.44 O ATOM 1952 OE2 GLU A 128 3.785 -0.019 10.676 1.00 70.53 O ATOM 0 H GLU A 128 4.949 -0.349 5.625 1.00 23.11 H new ATOM 0 HA GLU A 128 7.494 -1.418 6.575 1.00 62.43 H new ATOM 0 HB2 GLU A 128 6.589 -1.471 8.944 1.00 62.15 H new ATOM 0 HB3 GLU A 128 7.025 0.129 8.378 1.00 62.15 H new ATOM 0 HG2 GLU A 128 4.635 0.601 7.866 1.00 74.45 H new ATOM 0 HG3 GLU A 128 4.197 -1.000 8.426 1.00 74.45 H new ATOM 1959 N LYS A 129 6.298 -3.665 7.096 1.00 5.14 N ATOM 1960 CA LYS A 129 5.600 -4.959 7.124 1.00 72.22 C ATOM 1961 C LYS A 129 4.918 -5.174 8.479 1.00 25.04 C ATOM 1962 O LYS A 129 5.509 -4.922 9.530 1.00 35.01 O ATOM 1963 CB LYS A 129 6.557 -6.127 6.829 1.00 62.33 C ATOM 1964 CG LYS A 129 5.886 -7.500 6.941 1.00 4.43 C ATOM 1965 CD LYS A 129 6.717 -8.614 6.313 1.00 33.21 C ATOM 1966 CE LYS A 129 8.106 -8.726 6.924 1.00 11.32 C ATOM 1967 NZ LYS A 129 8.055 -9.037 8.375 1.00 62.44 N ATOM 0 H LYS A 129 7.267 -3.698 7.412 1.00 5.14 H new ATOM 0 HA LYS A 129 4.842 -4.936 6.341 1.00 72.22 H new ATOM 0 HB2 LYS A 129 6.964 -6.010 5.825 1.00 62.33 H new ATOM 0 HB3 LYS A 129 7.398 -6.083 7.521 1.00 62.33 H new ATOM 0 HG2 LYS A 129 5.712 -7.730 7.992 1.00 4.43 H new ATOM 0 HG3 LYS A 129 4.910 -7.463 6.457 1.00 4.43 H new ATOM 0 HD2 LYS A 129 6.194 -9.563 6.432 1.00 33.21 H new ATOM 0 HD3 LYS A 129 6.809 -8.433 5.242 1.00 33.21 H new ATOM 0 HE2 LYS A 129 8.667 -9.504 6.407 1.00 11.32 H new ATOM 0 HE3 LYS A 129 8.644 -7.790 6.773 1.00 11.32 H new ATOM 0 HZ1 LYS A 129 9.020 -9.188 8.732 1.00 62.44 H new ATOM 0 HZ2 LYS A 129 7.617 -8.243 8.885 1.00 62.44 H new ATOM 0 HZ3 LYS A 129 7.492 -9.898 8.526 1.00 62.44 H new ATOM 1981 N THR A 130 3.685 -5.672 8.451 1.00 1.23 N ATOM 1982 CA THR A 130 2.869 -5.789 9.674 1.00 60.40 C ATOM 1983 C THR A 130 2.101 -7.115 9.734 1.00 54.54 C ATOM 1984 O THR A 130 1.855 -7.754 8.711 1.00 74.42 O ATOM 1985 CB THR A 130 1.856 -4.620 9.787 1.00 44.24 C ATOM 1986 OG1 THR A 130 1.051 -4.768 10.967 1.00 5.32 O ATOM 1987 CG2 THR A 130 0.952 -4.551 8.559 1.00 42.15 C ATOM 0 H THR A 130 3.223 -6.002 7.603 1.00 1.23 H new ATOM 0 HA THR A 130 3.568 -5.752 10.509 1.00 60.40 H new ATOM 0 HB THR A 130 2.426 -3.693 9.851 1.00 44.24 H new ATOM 0 HG1 THR A 130 0.558 -3.938 11.133 1.00 5.32 H new ATOM 0 HG21 THR A 130 0.253 -3.722 8.668 1.00 42.15 H new ATOM 0 HG22 THR A 130 1.560 -4.398 7.668 1.00 42.15 H new ATOM 0 HG23 THR A 130 0.396 -5.484 8.463 1.00 42.15 H new ATOM 1995 N ASP A 131 1.727 -7.518 10.948 1.00 21.14 N ATOM 1996 CA ASP A 131 0.939 -8.738 11.165 1.00 25.41 C ATOM 1997 C ASP A 131 -0.565 -8.481 10.957 1.00 20.41 C ATOM 1998 O ASP A 131 -1.381 -9.404 11.010 1.00 31.54 O ATOM 1999 CB ASP A 131 1.188 -9.271 12.579 1.00 25.31 C ATOM 2000 CG ASP A 131 2.653 -9.582 12.825 1.00 1.43 C ATOM 2001 OD1 ASP A 131 3.145 -10.605 12.303 1.00 40.13 O ATOM 2002 OD2 ASP A 131 3.321 -8.811 13.547 1.00 40.03 O ATOM 0 H ASP A 131 1.958 -7.015 11.805 1.00 21.14 H new ATOM 0 HA ASP A 131 1.256 -9.481 10.433 1.00 25.41 H new ATOM 0 HB2 ASP A 131 0.847 -8.536 13.308 1.00 25.31 H new ATOM 0 HB3 ASP A 131 0.596 -10.173 12.735 1.00 25.31 H new ATOM 2007 N GLU A 132 -0.914 -7.220 10.716 1.00 75.02 N ATOM 2008 CA GLU A 132 -2.308 -6.814 10.513 1.00 70.14 C ATOM 2009 C GLU A 132 -2.858 -7.314 9.172 1.00 52.13 C ATOM 2010 O GLU A 132 -2.131 -7.403 8.182 1.00 31.01 O ATOM 2011 CB GLU A 132 -2.412 -5.286 10.596 1.00 1.54 C ATOM 2012 CG GLU A 132 -2.032 -4.742 11.965 1.00 72.00 C ATOM 2013 CD GLU A 132 -1.866 -3.234 11.997 1.00 41.32 C ATOM 2014 OE1 GLU A 132 -2.885 -2.513 11.969 1.00 70.53 O ATOM 2015 OE2 GLU A 132 -0.708 -2.761 12.054 1.00 71.35 O ATOM 0 H GLU A 132 -0.245 -6.452 10.656 1.00 75.02 H new ATOM 0 HA GLU A 132 -2.912 -7.267 11.299 1.00 70.14 H new ATOM 0 HB2 GLU A 132 -1.764 -4.841 9.841 1.00 1.54 H new ATOM 0 HB3 GLU A 132 -3.432 -4.983 10.360 1.00 1.54 H new ATOM 0 HG2 GLU A 132 -2.797 -5.030 12.686 1.00 72.00 H new ATOM 0 HG3 GLU A 132 -1.100 -5.208 12.286 1.00 72.00 H new ATOM 2022 N LYS A 133 -4.148 -7.633 9.150 1.00 11.15 N ATOM 2023 CA LYS A 133 -4.803 -8.161 7.948 1.00 73.32 C ATOM 2024 C LYS A 133 -4.978 -7.078 6.865 1.00 62.45 C ATOM 2025 O LYS A 133 -5.091 -5.888 7.166 1.00 73.43 O ATOM 2026 CB LYS A 133 -6.178 -8.765 8.308 1.00 10.22 C ATOM 2027 CG LYS A 133 -7.320 -7.745 8.445 1.00 71.21 C ATOM 2028 CD LYS A 133 -7.034 -6.684 9.508 1.00 21.24 C ATOM 2029 CE LYS A 133 -8.141 -5.636 9.584 1.00 65.40 C ATOM 2030 NZ LYS A 133 -9.416 -6.194 10.112 1.00 53.53 N ATOM 0 H LYS A 133 -4.768 -7.536 9.954 1.00 11.15 H new ATOM 0 HA LYS A 133 -4.157 -8.939 7.542 1.00 73.32 H new ATOM 0 HB2 LYS A 133 -6.450 -9.492 7.543 1.00 10.22 H new ATOM 0 HB3 LYS A 133 -6.084 -9.311 9.247 1.00 10.22 H new ATOM 0 HG2 LYS A 133 -7.484 -7.257 7.484 1.00 71.21 H new ATOM 0 HG3 LYS A 133 -8.242 -8.269 8.698 1.00 71.21 H new ATOM 0 HD2 LYS A 133 -6.923 -7.165 10.480 1.00 21.24 H new ATOM 0 HD3 LYS A 133 -6.086 -6.194 9.285 1.00 21.24 H new ATOM 0 HE2 LYS A 133 -7.816 -4.814 10.222 1.00 65.40 H new ATOM 0 HE3 LYS A 133 -8.313 -5.221 8.591 1.00 65.40 H new ATOM 0 HZ1 LYS A 133 -10.126 -5.437 10.176 1.00 53.53 H new ATOM 0 HZ2 LYS A 133 -9.760 -6.938 9.472 1.00 53.53 H new ATOM 0 HZ3 LYS A 133 -9.254 -6.597 11.057 1.00 53.53 H new ATOM 2044 N VAL A 134 -5.005 -7.498 5.605 1.00 51.12 N ATOM 2045 CA VAL A 134 -5.305 -6.589 4.500 1.00 74.11 C ATOM 2046 C VAL A 134 -6.752 -6.087 4.592 1.00 42.34 C ATOM 2047 O VAL A 134 -7.696 -6.884 4.611 1.00 30.34 O ATOM 2048 CB VAL A 134 -5.079 -7.276 3.131 1.00 64.24 C ATOM 2049 CG1 VAL A 134 -5.521 -6.374 1.977 1.00 2.43 C ATOM 2050 CG2 VAL A 134 -3.614 -7.678 2.980 1.00 53.42 C ATOM 0 H VAL A 134 -4.823 -8.461 5.321 1.00 51.12 H new ATOM 0 HA VAL A 134 -4.625 -5.741 4.579 1.00 74.11 H new ATOM 0 HB VAL A 134 -5.693 -8.176 3.095 1.00 64.24 H new ATOM 0 HG11 VAL A 134 -5.349 -6.885 1.030 1.00 2.43 H new ATOM 0 HG12 VAL A 134 -6.582 -6.146 2.079 1.00 2.43 H new ATOM 0 HG13 VAL A 134 -4.947 -5.448 1.999 1.00 2.43 H new ATOM 0 HG21 VAL A 134 -3.467 -8.160 2.014 1.00 53.42 H new ATOM 0 HG22 VAL A 134 -2.985 -6.790 3.042 1.00 53.42 H new ATOM 0 HG23 VAL A 134 -3.343 -8.371 3.776 1.00 53.42 H new ATOM 2060 N LEU A 135 -6.918 -4.769 4.666 1.00 64.21 N ATOM 2061 CA LEU A 135 -8.246 -4.163 4.801 1.00 42.34 C ATOM 2062 C LEU A 135 -9.136 -4.459 3.594 1.00 73.31 C ATOM 2063 O LEU A 135 -9.105 -3.740 2.602 1.00 24.03 O ATOM 2064 CB LEU A 135 -8.143 -2.644 5.008 1.00 42.24 C ATOM 2065 CG LEU A 135 -8.102 -2.180 6.467 1.00 4.22 C ATOM 2066 CD1 LEU A 135 -8.100 -0.659 6.535 1.00 14.35 C ATOM 2067 CD2 LEU A 135 -9.289 -2.752 7.236 1.00 43.31 C ATOM 0 H LEU A 135 -6.151 -4.097 4.635 1.00 64.21 H new ATOM 0 HA LEU A 135 -8.706 -4.612 5.681 1.00 42.34 H new ATOM 0 HB2 LEU A 135 -7.244 -2.286 4.506 1.00 42.24 H new ATOM 0 HB3 LEU A 135 -8.993 -2.169 4.517 1.00 42.24 H new ATOM 0 HG LEU A 135 -7.185 -2.547 6.928 1.00 4.22 H new ATOM 0 HD11 LEU A 135 -8.071 -0.341 7.577 1.00 14.35 H new ATOM 0 HD12 LEU A 135 -7.224 -0.273 6.013 1.00 14.35 H new ATOM 0 HD13 LEU A 135 -9.003 -0.273 6.063 1.00 14.35 H new ATOM 0 HD21 LEU A 135 -9.248 -2.415 8.272 1.00 43.31 H new ATOM 0 HD22 LEU A 135 -10.218 -2.410 6.779 1.00 43.31 H new ATOM 0 HD23 LEU A 135 -9.251 -3.841 7.207 1.00 43.31 H new ATOM 2079 N SER A 136 -9.937 -5.511 3.702 1.00 42.10 N ATOM 2080 CA SER A 136 -10.859 -5.902 2.627 1.00 52.22 C ATOM 2081 C SER A 136 -11.746 -4.721 2.217 1.00 3.13 C ATOM 2082 O SER A 136 -12.066 -3.867 3.041 1.00 72.11 O ATOM 2083 CB SER A 136 -11.728 -7.084 3.072 1.00 14.13 C ATOM 2084 OG SER A 136 -10.934 -8.199 3.457 1.00 12.43 O ATOM 0 H SER A 136 -9.972 -6.115 4.523 1.00 42.10 H new ATOM 0 HA SER A 136 -10.267 -6.206 1.764 1.00 52.22 H new ATOM 0 HB2 SER A 136 -12.358 -6.779 3.907 1.00 14.13 H new ATOM 0 HB3 SER A 136 -12.394 -7.374 2.259 1.00 14.13 H new ATOM 0 HG SER A 136 -11.517 -8.935 3.737 1.00 12.43 H new ATOM 2090 N VAL A 137 -12.165 -4.700 0.953 1.00 51.51 N ATOM 2091 CA VAL A 137 -12.864 -3.545 0.369 1.00 33.34 C ATOM 2092 C VAL A 137 -13.963 -2.977 1.292 1.00 21.12 C ATOM 2093 O VAL A 137 -14.016 -1.771 1.529 1.00 54.33 O ATOM 2094 CB VAL A 137 -13.483 -3.918 -1.002 1.00 35.21 C ATOM 2095 CG1 VAL A 137 -14.224 -2.730 -1.617 1.00 64.21 C ATOM 2096 CG2 VAL A 137 -12.404 -4.431 -1.955 1.00 42.23 C ATOM 0 H VAL A 137 -12.033 -5.476 0.304 1.00 51.51 H new ATOM 0 HA VAL A 137 -12.112 -2.767 0.238 1.00 33.34 H new ATOM 0 HB VAL A 137 -14.208 -4.715 -0.837 1.00 35.21 H new ATOM 0 HG11 VAL A 137 -14.647 -3.023 -2.578 1.00 64.21 H new ATOM 0 HG12 VAL A 137 -15.025 -2.415 -0.948 1.00 64.21 H new ATOM 0 HG13 VAL A 137 -13.528 -1.904 -1.764 1.00 64.21 H new ATOM 0 HG21 VAL A 137 -12.857 -4.688 -2.913 1.00 42.23 H new ATOM 0 HG22 VAL A 137 -11.653 -3.656 -2.105 1.00 42.23 H new ATOM 0 HG23 VAL A 137 -11.932 -5.316 -1.528 1.00 42.23 H new ATOM 2106 N LYS A 138 -14.827 -3.844 1.821 1.00 43.51 N ATOM 2107 CA LYS A 138 -15.908 -3.403 2.717 1.00 12.51 C ATOM 2108 C LYS A 138 -15.368 -2.991 4.099 1.00 30.32 C ATOM 2109 O LYS A 138 -15.765 -1.962 4.648 1.00 3.33 O ATOM 2110 CB LYS A 138 -16.956 -4.510 2.886 1.00 41.11 C ATOM 2111 CG LYS A 138 -18.166 -4.098 3.727 1.00 4.40 C ATOM 2112 CD LYS A 138 -18.998 -5.305 4.152 1.00 70.12 C ATOM 2113 CE LYS A 138 -18.205 -6.237 5.065 1.00 1.21 C ATOM 2114 NZ LYS A 138 -19.012 -7.398 5.529 1.00 10.52 N ATOM 0 H LYS A 138 -14.804 -4.849 1.649 1.00 43.51 H new ATOM 0 HA LYS A 138 -16.373 -2.531 2.256 1.00 12.51 H new ATOM 0 HB2 LYS A 138 -17.301 -4.823 1.901 1.00 41.11 H new ATOM 0 HB3 LYS A 138 -16.483 -5.376 3.348 1.00 41.11 H new ATOM 0 HG2 LYS A 138 -17.827 -3.560 4.612 1.00 4.40 H new ATOM 0 HG3 LYS A 138 -18.789 -3.410 3.155 1.00 4.40 H new ATOM 0 HD2 LYS A 138 -19.896 -4.966 4.668 1.00 70.12 H new ATOM 0 HD3 LYS A 138 -19.326 -5.852 3.268 1.00 70.12 H new ATOM 0 HE2 LYS A 138 -17.325 -6.599 4.534 1.00 1.21 H new ATOM 0 HE3 LYS A 138 -17.848 -5.677 5.930 1.00 1.21 H new ATOM 0 HZ1 LYS A 138 -18.430 -8.001 6.145 1.00 10.52 H new ATOM 0 HZ2 LYS A 138 -19.839 -7.056 6.059 1.00 10.52 H new ATOM 0 HZ3 LYS A 138 -19.332 -7.949 4.707 1.00 10.52 H new ATOM 2128 N GLU A 139 -14.456 -3.794 4.651 1.00 72.12 N ATOM 2129 CA GLU A 139 -13.860 -3.513 5.962 1.00 62.23 C ATOM 2130 C GLU A 139 -13.214 -2.124 5.960 1.00 34.03 C ATOM 2131 O GLU A 139 -13.308 -1.360 6.923 1.00 20.23 O ATOM 2132 CB GLU A 139 -12.814 -4.593 6.282 1.00 71.14 C ATOM 2133 CG GLU A 139 -12.141 -4.443 7.640 1.00 71.43 C ATOM 2134 CD GLU A 139 -13.115 -4.532 8.801 1.00 34.14 C ATOM 2135 OE1 GLU A 139 -13.711 -5.613 8.998 1.00 5.22 O ATOM 2136 OE2 GLU A 139 -13.268 -3.538 9.533 1.00 71.30 O ATOM 0 H GLU A 139 -14.112 -4.647 4.210 1.00 72.12 H new ATOM 0 HA GLU A 139 -14.636 -3.527 6.727 1.00 62.23 H new ATOM 0 HB2 GLU A 139 -13.294 -5.570 6.236 1.00 71.14 H new ATOM 0 HB3 GLU A 139 -12.047 -4.578 5.508 1.00 71.14 H new ATOM 0 HG2 GLU A 139 -11.382 -5.218 7.750 1.00 71.43 H new ATOM 0 HG3 GLU A 139 -11.625 -3.484 7.679 1.00 71.43 H new ATOM 2143 N LEU A 140 -12.576 -1.810 4.843 1.00 32.00 N ATOM 2144 CA LEU A 140 -11.977 -0.507 4.614 1.00 52.45 C ATOM 2145 C LEU A 140 -13.041 0.604 4.673 1.00 25.45 C ATOM 2146 O LEU A 140 -12.821 1.658 5.278 1.00 33.33 O ATOM 2147 CB LEU A 140 -11.272 -0.533 3.253 1.00 70.43 C ATOM 2148 CG LEU A 140 -10.081 0.417 3.122 1.00 62.44 C ATOM 2149 CD1 LEU A 140 -9.166 -0.038 1.998 1.00 33.55 C ATOM 2150 CD2 LEU A 140 -10.535 1.857 2.892 1.00 12.14 C ATOM 0 H LEU A 140 -12.459 -2.459 4.064 1.00 32.00 H new ATOM 0 HA LEU A 140 -11.249 -0.289 5.396 1.00 52.45 H new ATOM 0 HB2 LEU A 140 -10.930 -1.549 3.058 1.00 70.43 H new ATOM 0 HB3 LEU A 140 -12.000 -0.288 2.479 1.00 70.43 H new ATOM 0 HG LEU A 140 -9.528 0.391 4.061 1.00 62.44 H new ATOM 0 HD11 LEU A 140 -8.322 0.647 1.916 1.00 33.55 H new ATOM 0 HD12 LEU A 140 -8.799 -1.042 2.212 1.00 33.55 H new ATOM 0 HD13 LEU A 140 -9.720 -0.046 1.059 1.00 33.55 H new ATOM 0 HD21 LEU A 140 -9.662 2.504 2.804 1.00 12.14 H new ATOM 0 HD22 LEU A 140 -11.121 1.912 1.975 1.00 12.14 H new ATOM 0 HD23 LEU A 140 -11.146 2.185 3.733 1.00 12.14 H new ATOM 2162 N LEU A 141 -14.204 0.350 4.065 1.00 4.40 N ATOM 2163 CA LEU A 141 -15.327 1.299 4.103 1.00 34.53 C ATOM 2164 C LEU A 141 -15.702 1.630 5.553 1.00 13.33 C ATOM 2165 O LEU A 141 -15.779 2.794 5.942 1.00 44.41 O ATOM 2166 CB LEU A 141 -16.562 0.718 3.396 1.00 52.21 C ATOM 2167 CG LEU A 141 -16.340 0.191 1.968 1.00 1.01 C ATOM 2168 CD1 LEU A 141 -17.625 -0.421 1.410 1.00 24.51 C ATOM 2169 CD2 LEU A 141 -15.825 1.294 1.048 1.00 20.41 C ATOM 0 H LEU A 141 -14.395 -0.504 3.540 1.00 4.40 H new ATOM 0 HA LEU A 141 -15.008 2.205 3.587 1.00 34.53 H new ATOM 0 HB2 LEU A 141 -16.954 -0.097 4.005 1.00 52.21 H new ATOM 0 HB3 LEU A 141 -17.332 1.489 3.361 1.00 52.21 H new ATOM 0 HG LEU A 141 -15.580 -0.589 2.014 1.00 1.01 H new ATOM 0 HD11 LEU A 141 -17.445 -0.787 0.399 1.00 24.51 H new ATOM 0 HD12 LEU A 141 -17.939 -1.249 2.045 1.00 24.51 H new ATOM 0 HD13 LEU A 141 -18.409 0.336 1.387 1.00 24.51 H new ATOM 0 HD21 LEU A 141 -15.677 0.892 0.046 1.00 20.41 H new ATOM 0 HD22 LEU A 141 -16.552 2.105 1.010 1.00 20.41 H new ATOM 0 HD23 LEU A 141 -14.877 1.673 1.430 1.00 20.41 H new