USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 533 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 536 CYS SG : rot 8:sc= 0.245 USER MOD Single : A 538 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 540 HIS : no HD1:sc= -0.912 X(o=-0.91,f=-0.47) USER MOD Single : A 542 SER OG : rot 45:sc= 1.28 USER MOD Single : A 544 SER OG : rot -24:sc= 0.398 USER MOD Single : A 548 MET CE :methyl 139:sc= -0.862 (180deg=-4.33!) USER MOD Single : A 551 LYS NZ :NH3+ 173:sc= 0.521 (180deg=0.3) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 561 THR OG1 : rot 180:sc= 0 USER MOD Single : A 568 THR OG1 : rot -158:sc= 0.596 USER MOD Single : A 572 THR OG1 : rot -75:sc= 0.551 USER MOD Single : A 574 LYS NZ :NH3+ 162:sc= 0.682 (180deg=-0.0372) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 170:sc= 0.533 (180deg=0.358) USER MOD Single : A 591 ASN :FLIP amide:sc= -0.0411 F(o=-1.9!,f=-0.041) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -176:sc= 0.553 (180deg=0.543) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -169:sc= 0.138 (180deg=-0.0332) USER MOD Single : A 613 ASN : amide:sc= -0.588 K(o=-0.59,f=-5.4!) USER MOD Single : A 622 LYS NZ :NH3+ -160:sc= 1.14 (180deg=0.812) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 657 HIS : no HE2:sc= -0.038 K(o=-0.038,f=-3.3!) USER MOD Single : A 659 LYS NZ :NH3+ 170:sc= 0.464 (180deg=0.363) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 11.297 -18.368 1.810 1.00 30.15 N ATOM 19 CA ALA A 529 11.889 -19.590 1.269 1.00 1.43 C ATOM 20 C ALA A 529 11.530 -19.763 -0.215 1.00 61.42 C ATOM 21 O ALA A 529 10.512 -19.257 -0.686 1.00 11.21 O ATOM 22 CB ALA A 529 11.404 -20.778 2.061 1.00 22.43 C ATOM 0 HA ALA A 529 12.974 -19.517 1.349 1.00 1.43 H new ATOM 0 HB1 ALA A 529 11.846 -21.689 1.657 1.00 22.43 H new ATOM 0 HB2 ALA A 529 11.697 -20.664 3.105 1.00 22.43 H new ATOM 0 HB3 ALA A 529 10.318 -20.841 1.994 1.00 22.43 H new ATOM 28 N GLY A 530 12.376 -20.471 -0.952 1.00 33.21 N ATOM 29 CA GLY A 530 12.157 -20.624 -2.377 1.00 44.21 C ATOM 30 C GLY A 530 10.975 -21.482 -2.780 1.00 10.43 C ATOM 31 O GLY A 530 10.625 -22.442 -2.115 1.00 2.55 O ATOM 0 H GLY A 530 13.206 -20.940 -0.591 1.00 33.21 H new ATOM 0 HA2 GLY A 530 12.027 -19.633 -2.813 1.00 44.21 H new ATOM 0 HA3 GLY A 530 13.057 -21.051 -2.819 1.00 44.21 H new ATOM 35 N ILE A 531 10.412 -21.146 -3.929 1.00 61.04 N ATOM 36 CA ILE A 531 9.381 -21.947 -4.573 1.00 53.50 C ATOM 37 C ILE A 531 10.085 -23.174 -5.114 1.00 24.30 C ATOM 38 O ILE A 531 11.184 -23.040 -5.651 1.00 40.33 O ATOM 39 CB ILE A 531 8.711 -21.154 -5.758 1.00 72.04 C ATOM 40 CG1 ILE A 531 7.496 -20.367 -5.247 1.00 2.34 C ATOM 41 CG2 ILE A 531 8.238 -22.079 -6.879 1.00 23.14 C ATOM 42 CD1 ILE A 531 7.823 -19.062 -4.508 1.00 23.22 C ATOM 0 H ILE A 531 10.659 -20.302 -4.446 1.00 61.04 H new ATOM 0 HA ILE A 531 8.591 -22.204 -3.868 1.00 53.50 H new ATOM 0 HB ILE A 531 9.473 -20.482 -6.154 1.00 72.04 H new ATOM 0 HG12 ILE A 531 6.852 -20.133 -6.095 1.00 2.34 H new ATOM 0 HG13 ILE A 531 6.922 -21.010 -4.579 1.00 2.34 H new ATOM 0 HG21 ILE A 531 7.783 -21.486 -7.673 1.00 23.14 H new ATOM 0 HG22 ILE A 531 9.089 -22.630 -7.280 1.00 23.14 H new ATOM 0 HG23 ILE A 531 7.504 -22.782 -6.485 1.00 23.14 H new ATOM 0 HD11 ILE A 531 6.897 -18.583 -4.188 1.00 23.22 H new ATOM 0 HD12 ILE A 531 8.438 -19.282 -3.635 1.00 23.22 H new ATOM 0 HD13 ILE A 531 8.366 -18.393 -5.175 1.00 23.22 H new ATOM 54 N PHE A 532 9.464 -24.343 -5.002 1.00 35.25 N ATOM 55 CA PHE A 532 10.033 -25.586 -5.534 1.00 14.14 C ATOM 56 C PHE A 532 9.210 -26.105 -6.694 1.00 53.01 C ATOM 57 O PHE A 532 7.985 -26.119 -6.648 1.00 42.31 O ATOM 58 CB PHE A 532 10.087 -26.643 -4.452 1.00 24.43 C ATOM 59 CG PHE A 532 10.968 -26.262 -3.306 1.00 34.32 C ATOM 60 CD1 PHE A 532 12.354 -26.482 -3.377 1.00 70.23 C ATOM 61 CD2 PHE A 532 10.431 -25.645 -2.165 1.00 63.51 C ATOM 62 CE1 PHE A 532 13.199 -26.089 -2.319 1.00 62.03 C ATOM 63 CE2 PHE A 532 11.270 -25.256 -1.100 1.00 62.13 C ATOM 64 CZ PHE A 532 12.658 -25.481 -1.179 1.00 34.02 C ATOM 0 H PHE A 532 8.560 -24.461 -4.545 1.00 35.25 H new ATOM 0 HA PHE A 532 11.042 -25.368 -5.885 1.00 14.14 H new ATOM 0 HB2 PHE A 532 9.079 -26.828 -4.082 1.00 24.43 H new ATOM 0 HB3 PHE A 532 10.445 -27.578 -4.883 1.00 24.43 H new ATOM 0 HD1 PHE A 532 12.776 -26.957 -4.250 1.00 70.23 H new ATOM 0 HD2 PHE A 532 9.368 -25.467 -2.102 1.00 63.51 H new ATOM 0 HE1 PHE A 532 14.264 -26.257 -2.388 1.00 62.03 H new ATOM 0 HE2 PHE A 532 10.848 -24.786 -0.224 1.00 62.13 H new ATOM 0 HZ PHE A 532 13.302 -25.186 -0.364 1.00 34.02 H new ATOM 74 N THR A 533 9.896 -26.499 -7.748 1.00 75.23 N ATOM 75 CA THR A 533 9.257 -26.901 -8.994 1.00 43.53 C ATOM 76 C THR A 533 10.268 -27.844 -9.655 1.00 53.25 C ATOM 77 O THR A 533 11.384 -27.961 -9.171 1.00 72.52 O ATOM 78 CB THR A 533 8.948 -25.636 -9.846 1.00 14.33 C ATOM 79 OG1 THR A 533 8.170 -25.984 -10.993 1.00 54.43 O ATOM 80 CG2 THR A 533 10.193 -24.953 -10.297 1.00 12.35 C ATOM 0 H THR A 533 10.914 -26.551 -7.769 1.00 75.23 H new ATOM 0 HA THR A 533 8.299 -27.405 -8.862 1.00 43.53 H new ATOM 0 HB THR A 533 8.388 -24.952 -9.208 1.00 14.33 H new ATOM 0 HG1 THR A 533 7.982 -25.178 -11.518 1.00 54.43 H new ATOM 0 HG21 THR A 533 9.933 -24.075 -10.889 1.00 12.35 H new ATOM 0 HG22 THR A 533 10.775 -24.645 -9.428 1.00 12.35 H new ATOM 0 HG23 THR A 533 10.784 -25.638 -10.905 1.00 12.35 H new ATOM 88 N PHE A 534 9.896 -28.513 -10.730 1.00 62.33 N ATOM 89 CA PHE A 534 10.795 -29.408 -11.452 1.00 64.03 C ATOM 90 C PHE A 534 11.194 -28.731 -12.739 1.00 61.45 C ATOM 91 O PHE A 534 10.668 -27.678 -13.105 1.00 35.44 O ATOM 92 CB PHE A 534 10.094 -30.726 -11.799 1.00 53.14 C ATOM 93 CG PHE A 534 9.834 -31.640 -10.626 1.00 45.43 C ATOM 94 CD1 PHE A 534 10.368 -31.431 -9.336 1.00 44.43 C ATOM 95 CD2 PHE A 534 9.045 -32.761 -10.846 1.00 64.41 C ATOM 96 CE1 PHE A 534 10.067 -32.355 -8.288 1.00 15.35 C ATOM 97 CE2 PHE A 534 8.754 -33.681 -9.834 1.00 13.50 C ATOM 98 CZ PHE A 534 9.243 -33.485 -8.556 1.00 54.24 C ATOM 0 H PHE A 534 8.960 -28.454 -11.132 1.00 62.33 H new ATOM 0 HA PHE A 534 11.660 -29.624 -10.826 1.00 64.03 H new ATOM 0 HB2 PHE A 534 9.143 -30.498 -12.280 1.00 53.14 H new ATOM 0 HB3 PHE A 534 10.701 -31.261 -12.529 1.00 53.14 H new ATOM 0 HD1 PHE A 534 11.001 -30.577 -9.142 1.00 44.43 H new ATOM 0 HD2 PHE A 534 8.642 -32.928 -11.834 1.00 64.41 H new ATOM 0 HE1 PHE A 534 10.463 -32.197 -7.296 1.00 15.35 H new ATOM 0 HE2 PHE A 534 8.146 -34.547 -10.051 1.00 13.50 H new ATOM 0 HZ PHE A 534 9.002 -34.183 -7.768 1.00 54.24 H new ATOM 108 N GLU A 535 12.118 -29.381 -13.422 1.00 42.43 N ATOM 109 CA GLU A 535 12.611 -28.954 -14.729 1.00 61.12 C ATOM 110 C GLU A 535 11.524 -28.819 -15.791 1.00 52.42 C ATOM 111 O GLU A 535 11.493 -27.845 -16.539 1.00 41.23 O ATOM 112 CB GLU A 535 13.594 -30.009 -15.214 1.00 43.24 C ATOM 113 CG GLU A 535 14.900 -30.031 -14.476 1.00 2.23 C ATOM 114 CD GLU A 535 15.793 -31.160 -14.952 1.00 65.23 C ATOM 115 OE1 GLU A 535 15.490 -32.336 -14.639 1.00 10.34 O ATOM 116 OE2 GLU A 535 16.834 -30.884 -15.585 1.00 2.22 O ATOM 0 H GLU A 535 12.558 -30.236 -13.083 1.00 42.43 H new ATOM 0 HA GLU A 535 13.055 -27.967 -14.597 1.00 61.12 H new ATOM 0 HB2 GLU A 535 13.126 -30.990 -15.128 1.00 43.24 H new ATOM 0 HB3 GLU A 535 13.793 -29.843 -16.273 1.00 43.24 H new ATOM 0 HG2 GLU A 535 15.412 -29.079 -14.614 1.00 2.23 H new ATOM 0 HG3 GLU A 535 14.713 -30.140 -13.408 1.00 2.23 H new ATOM 123 N CYS A 536 10.671 -29.826 -15.885 1.00 23.32 N ATOM 124 CA CYS A 536 9.634 -29.897 -16.909 1.00 42.24 C ATOM 125 C CYS A 536 8.481 -30.657 -16.284 1.00 11.43 C ATOM 126 O CYS A 536 8.587 -31.081 -15.140 1.00 42.03 O ATOM 127 CB CYS A 536 10.153 -30.654 -18.142 1.00 20.11 C ATOM 128 SG CYS A 536 11.445 -29.771 -19.055 1.00 63.11 S ATOM 0 H CYS A 536 10.676 -30.624 -15.250 1.00 23.32 H new ATOM 0 HA CYS A 536 9.331 -28.903 -17.237 1.00 42.24 H new ATOM 0 HB2 CYS A 536 10.542 -31.621 -17.825 1.00 20.11 H new ATOM 0 HB3 CYS A 536 9.317 -30.851 -18.814 1.00 20.11 H new ATOM 0 HG CYS A 536 11.808 -28.719 -18.384 1.00 63.11 H new ATOM 134 N ASP A 537 7.411 -30.857 -17.044 1.00 22.14 N ATOM 135 CA ASP A 537 6.260 -31.635 -16.576 1.00 12.50 C ATOM 136 C ASP A 537 6.049 -32.865 -17.461 1.00 33.24 C ATOM 137 O ASP A 537 5.081 -33.571 -17.295 1.00 12.02 O ATOM 138 CB ASP A 537 4.994 -30.769 -16.598 1.00 10.23 C ATOM 139 CG ASP A 537 4.197 -30.835 -15.283 1.00 75.23 C ATOM 140 OD1 ASP A 537 3.821 -31.929 -14.796 1.00 41.40 O ATOM 141 OD2 ASP A 537 3.899 -29.732 -14.766 1.00 24.44 O ATOM 0 H ASP A 537 7.312 -30.492 -17.991 1.00 22.14 H new ATOM 0 HA ASP A 537 6.459 -31.961 -15.555 1.00 12.50 H new ATOM 0 HB2 ASP A 537 5.272 -29.734 -16.796 1.00 10.23 H new ATOM 0 HB3 ASP A 537 4.355 -31.091 -17.420 1.00 10.23 H new ATOM 146 N THR A 538 6.953 -33.114 -18.409 1.00 55.41 N ATOM 147 CA THR A 538 6.847 -34.252 -19.320 1.00 25.13 C ATOM 148 C THR A 538 8.252 -34.778 -19.652 1.00 22.35 C ATOM 149 O THR A 538 9.155 -34.002 -19.968 1.00 43.25 O ATOM 150 CB THR A 538 6.142 -33.841 -20.633 1.00 4.12 C ATOM 151 OG1 THR A 538 4.990 -33.053 -20.320 1.00 74.21 O ATOM 152 CG2 THR A 538 5.687 -35.058 -21.421 1.00 62.34 C ATOM 0 H THR A 538 7.777 -32.534 -18.566 1.00 55.41 H new ATOM 0 HA THR A 538 6.260 -35.029 -18.831 1.00 25.13 H new ATOM 0 HB THR A 538 6.853 -33.276 -21.235 1.00 4.12 H new ATOM 0 HG1 THR A 538 4.540 -32.788 -21.149 1.00 74.21 H new ATOM 0 HG21 THR A 538 5.195 -34.734 -22.338 1.00 62.34 H new ATOM 0 HG22 THR A 538 6.551 -35.674 -21.670 1.00 62.34 H new ATOM 0 HG23 THR A 538 4.988 -35.640 -20.820 1.00 62.34 H new ATOM 160 N ILE A 539 8.422 -36.085 -19.536 1.00 43.42 N ATOM 161 CA ILE A 539 9.690 -36.793 -19.788 1.00 20.22 C ATOM 162 C ILE A 539 9.391 -38.195 -20.361 1.00 24.12 C ATOM 163 O ILE A 539 8.291 -38.716 -20.205 1.00 72.01 O ATOM 164 CB ILE A 539 10.519 -36.909 -18.445 1.00 60.53 C ATOM 165 CG1 ILE A 539 11.963 -37.382 -18.696 1.00 3.25 C ATOM 166 CG2 ILE A 539 9.784 -37.803 -17.395 1.00 33.40 C ATOM 167 CD1 ILE A 539 12.265 -38.799 -18.195 1.00 33.34 C ATOM 0 H ILE A 539 7.667 -36.711 -19.256 1.00 43.42 H new ATOM 0 HA ILE A 539 10.282 -36.233 -20.512 1.00 20.22 H new ATOM 0 HB ILE A 539 10.589 -35.907 -18.023 1.00 60.53 H new ATOM 0 HG12 ILE A 539 12.165 -37.338 -19.766 1.00 3.25 H new ATOM 0 HG13 ILE A 539 12.649 -36.686 -18.213 1.00 3.25 H new ATOM 0 HG21 ILE A 539 10.381 -37.861 -16.485 1.00 33.40 H new ATOM 0 HG22 ILE A 539 8.812 -37.368 -17.164 1.00 33.40 H new ATOM 0 HG23 ILE A 539 9.646 -38.804 -17.803 1.00 33.40 H new ATOM 0 HD11 ILE A 539 13.303 -39.049 -18.414 1.00 33.34 H new ATOM 0 HD12 ILE A 539 12.099 -38.848 -17.119 1.00 33.34 H new ATOM 0 HD13 ILE A 539 11.608 -39.510 -18.696 1.00 33.34 H new ATOM 179 N HIS A 540 10.373 -38.807 -21.013 1.00 11.33 N ATOM 180 CA HIS A 540 10.286 -40.200 -21.450 1.00 44.34 C ATOM 181 C HIS A 540 11.498 -40.951 -20.897 1.00 71.15 C ATOM 182 O HIS A 540 12.621 -40.515 -21.102 1.00 52.53 O ATOM 183 CB HIS A 540 10.315 -40.290 -22.982 1.00 4.33 C ATOM 184 CG HIS A 540 8.966 -40.204 -23.622 1.00 41.01 C ATOM 185 ND1 HIS A 540 8.578 -40.998 -24.710 1.00 3.45 N ATOM 186 CD2 HIS A 540 7.877 -39.441 -23.348 1.00 24.33 C ATOM 187 CE1 HIS A 540 7.320 -40.715 -25.017 1.00 63.35 C ATOM 188 NE2 HIS A 540 6.884 -39.777 -24.220 1.00 10.44 N ATOM 0 H HIS A 540 11.254 -38.353 -21.255 1.00 11.33 H new ATOM 0 HA HIS A 540 9.353 -40.632 -21.088 1.00 44.34 H new ATOM 0 HB2 HIS A 540 10.942 -39.488 -23.371 1.00 4.33 H new ATOM 0 HB3 HIS A 540 10.784 -41.230 -23.272 1.00 4.33 H new ATOM 0 HD2 HIS A 540 7.809 -38.694 -22.571 1.00 24.33 H new ATOM 0 HE1 HIS A 540 6.747 -41.186 -25.802 1.00 63.35 H new ATOM 0 HE2 HIS A 540 5.952 -39.363 -24.246 1.00 10.44 H new ATOM 196 N VAL A 541 11.273 -42.077 -20.235 1.00 72.53 N ATOM 197 CA VAL A 541 12.372 -42.993 -19.843 1.00 61.11 C ATOM 198 C VAL A 541 12.130 -44.336 -20.508 1.00 23.42 C ATOM 199 O VAL A 541 11.131 -44.519 -21.179 1.00 35.35 O ATOM 200 CB VAL A 541 12.490 -43.244 -18.292 1.00 13.52 C ATOM 201 CG1 VAL A 541 12.882 -41.997 -17.567 1.00 30.33 C ATOM 202 CG2 VAL A 541 11.178 -43.807 -17.713 1.00 22.21 C ATOM 0 H VAL A 541 10.345 -42.391 -19.951 1.00 72.53 H new ATOM 0 HA VAL A 541 13.299 -42.514 -20.160 1.00 61.11 H new ATOM 0 HB VAL A 541 13.275 -43.986 -18.146 1.00 13.52 H new ATOM 0 HG11 VAL A 541 12.955 -42.204 -16.499 1.00 30.33 H new ATOM 0 HG12 VAL A 541 13.847 -41.650 -17.936 1.00 30.33 H new ATOM 0 HG13 VAL A 541 12.130 -41.226 -17.736 1.00 30.33 H new ATOM 0 HG21 VAL A 541 11.293 -43.969 -16.641 1.00 22.21 H new ATOM 0 HG22 VAL A 541 10.369 -43.098 -17.888 1.00 22.21 H new ATOM 0 HG23 VAL A 541 10.942 -44.753 -18.200 1.00 22.21 H new ATOM 212 N SER A 542 13.022 -45.281 -20.258 1.00 31.10 N ATOM 213 CA SER A 542 12.883 -46.670 -20.681 1.00 62.32 C ATOM 214 C SER A 542 13.102 -47.426 -19.389 1.00 13.13 C ATOM 215 O SER A 542 13.748 -46.903 -18.505 1.00 41.12 O ATOM 216 CB SER A 542 13.979 -47.027 -21.695 1.00 73.21 C ATOM 217 OG SER A 542 14.214 -48.424 -21.771 1.00 30.33 O ATOM 0 H SER A 542 13.884 -45.102 -19.743 1.00 31.10 H new ATOM 0 HA SER A 542 11.931 -46.890 -21.164 1.00 62.32 H new ATOM 0 HB2 SER A 542 13.694 -46.656 -22.679 1.00 73.21 H new ATOM 0 HB3 SER A 542 14.904 -46.521 -21.419 1.00 73.21 H new ATOM 0 HG SER A 542 13.357 -48.899 -21.804 1.00 30.33 H new ATOM 223 N GLU A 543 12.603 -48.639 -19.283 1.00 62.31 N ATOM 224 CA GLU A 543 12.839 -49.500 -18.119 1.00 74.40 C ATOM 225 C GLU A 543 14.331 -49.746 -17.923 1.00 0.52 C ATOM 226 O GLU A 543 14.828 -49.818 -16.798 1.00 5.45 O ATOM 227 CB GLU A 543 12.144 -50.869 -18.291 1.00 12.05 C ATOM 228 CG GLU A 543 11.380 -51.077 -19.618 1.00 63.02 C ATOM 229 CD GLU A 543 12.279 -50.955 -20.859 1.00 75.01 C ATOM 230 OE1 GLU A 543 13.359 -51.577 -20.891 1.00 2.45 O ATOM 231 OE2 GLU A 543 12.019 -50.023 -21.668 1.00 62.24 O ATOM 0 H GLU A 543 12.018 -49.068 -20.000 1.00 62.31 H new ATOM 0 HA GLU A 543 12.428 -48.985 -17.251 1.00 74.40 H new ATOM 0 HB2 GLU A 543 12.898 -51.651 -18.202 1.00 12.05 H new ATOM 0 HB3 GLU A 543 11.444 -51.006 -17.466 1.00 12.05 H new ATOM 0 HG2 GLU A 543 10.913 -52.062 -19.611 1.00 63.02 H new ATOM 0 HG3 GLU A 543 10.576 -50.344 -19.686 1.00 63.02 H new ATOM 238 N SER A 544 15.043 -49.813 -19.038 1.00 73.51 N ATOM 239 CA SER A 544 16.479 -50.096 -19.068 1.00 15.52 C ATOM 240 C SER A 544 17.312 -49.016 -18.387 1.00 64.33 C ATOM 241 O SER A 544 18.506 -49.202 -18.148 1.00 41.43 O ATOM 242 CB SER A 544 16.939 -50.242 -20.521 1.00 74.21 C ATOM 243 OG SER A 544 18.316 -50.583 -20.587 1.00 43.30 O ATOM 0 H SER A 544 14.638 -49.671 -19.963 1.00 73.51 H new ATOM 0 HA SER A 544 16.633 -51.022 -18.515 1.00 15.52 H new ATOM 0 HB2 SER A 544 16.346 -51.010 -21.018 1.00 74.21 H new ATOM 0 HB3 SER A 544 16.766 -49.309 -21.057 1.00 74.21 H new ATOM 0 HG SER A 544 18.767 -50.281 -19.771 1.00 43.30 H new ATOM 249 N ILE A 545 16.692 -47.892 -18.058 1.00 10.22 N ATOM 250 CA ILE A 545 17.374 -46.830 -17.339 1.00 22.10 C ATOM 251 C ILE A 545 17.685 -47.287 -15.907 1.00 14.40 C ATOM 252 O ILE A 545 18.621 -46.790 -15.272 1.00 61.31 O ATOM 253 CB ILE A 545 16.499 -45.550 -17.306 1.00 54.33 C ATOM 254 CG1 ILE A 545 17.383 -44.331 -17.020 1.00 22.02 C ATOM 255 CG2 ILE A 545 15.325 -45.699 -16.290 1.00 4.55 C ATOM 256 CD1 ILE A 545 16.618 -43.090 -16.686 1.00 62.33 C ATOM 0 H ILE A 545 15.716 -47.693 -18.279 1.00 10.22 H new ATOM 0 HA ILE A 545 18.307 -46.602 -17.854 1.00 22.10 H new ATOM 0 HB ILE A 545 16.035 -45.400 -18.281 1.00 54.33 H new ATOM 0 HG12 ILE A 545 18.052 -44.567 -16.193 1.00 22.02 H new ATOM 0 HG13 ILE A 545 18.009 -44.136 -17.891 1.00 22.02 H new ATOM 0 HG21 ILE A 545 14.728 -44.787 -16.288 1.00 4.55 H new ATOM 0 HG22 ILE A 545 14.698 -46.542 -16.580 1.00 4.55 H new ATOM 0 HG23 ILE A 545 15.727 -45.872 -15.292 1.00 4.55 H new ATOM 0 HD11 ILE A 545 17.314 -42.273 -16.497 1.00 62.33 H new ATOM 0 HD12 ILE A 545 15.968 -42.827 -17.521 1.00 62.33 H new ATOM 0 HD13 ILE A 545 16.013 -43.264 -15.796 1.00 62.33 H new ATOM 268 N GLY A 546 16.895 -48.219 -15.385 1.00 55.23 N ATOM 269 CA GLY A 546 17.095 -48.682 -14.030 1.00 0.54 C ATOM 270 C GLY A 546 16.412 -47.802 -13.019 1.00 24.44 C ATOM 271 O GLY A 546 15.527 -48.228 -12.281 1.00 32.41 O ATOM 0 H GLY A 546 16.120 -48.661 -15.879 1.00 55.23 H new ATOM 0 HA2 GLY A 546 16.717 -49.700 -13.937 1.00 0.54 H new ATOM 0 HA3 GLY A 546 18.163 -48.718 -13.815 1.00 0.54 H new ATOM 275 N VAL A 547 16.864 -46.563 -12.956 1.00 50.34 N ATOM 276 CA VAL A 547 16.365 -45.600 -11.993 1.00 73.02 C ATOM 277 C VAL A 547 16.185 -44.252 -12.684 1.00 62.41 C ATOM 278 O VAL A 547 17.131 -43.692 -13.230 1.00 20.42 O ATOM 279 CB VAL A 547 17.361 -45.458 -10.811 1.00 72.33 C ATOM 280 CG1 VAL A 547 16.895 -44.393 -9.831 1.00 73.11 C ATOM 281 CG2 VAL A 547 17.529 -46.798 -10.060 1.00 32.04 C ATOM 0 H VAL A 547 17.589 -46.196 -13.573 1.00 50.34 H new ATOM 0 HA VAL A 547 15.408 -45.943 -11.601 1.00 73.02 H new ATOM 0 HB VAL A 547 18.321 -45.163 -11.233 1.00 72.33 H new ATOM 0 HG11 VAL A 547 17.610 -44.314 -9.013 1.00 73.11 H new ATOM 0 HG12 VAL A 547 16.822 -43.434 -10.344 1.00 73.11 H new ATOM 0 HG13 VAL A 547 15.918 -44.667 -9.433 1.00 73.11 H new ATOM 0 HG21 VAL A 547 18.232 -46.668 -9.237 1.00 32.04 H new ATOM 0 HG22 VAL A 547 16.564 -47.118 -9.666 1.00 32.04 H new ATOM 0 HG23 VAL A 547 17.909 -47.555 -10.746 1.00 32.04 H new ATOM 291 N MET A 548 14.966 -43.741 -12.664 1.00 11.51 N ATOM 292 CA MET A 548 14.657 -42.437 -13.241 1.00 74.01 C ATOM 293 C MET A 548 14.998 -41.359 -12.217 1.00 72.32 C ATOM 294 O MET A 548 14.989 -41.623 -11.011 1.00 24.14 O ATOM 295 CB MET A 548 13.180 -42.362 -13.649 1.00 42.44 C ATOM 296 CG MET A 548 12.231 -41.911 -12.533 1.00 71.03 C ATOM 297 SD MET A 548 12.062 -40.117 -12.379 1.00 71.41 S ATOM 298 CE MET A 548 11.557 -39.655 -14.043 1.00 11.34 C ATOM 0 H MET A 548 14.163 -44.214 -12.250 1.00 11.51 H new ATOM 0 HA MET A 548 15.250 -42.282 -14.142 1.00 74.01 H new ATOM 0 HB2 MET A 548 13.083 -41.675 -14.490 1.00 42.44 H new ATOM 0 HB3 MET A 548 12.864 -43.344 -14.002 1.00 42.44 H new ATOM 0 HG2 MET A 548 11.246 -42.343 -12.713 1.00 71.03 H new ATOM 0 HG3 MET A 548 12.587 -42.313 -11.585 1.00 71.03 H new ATOM 0 HE1 MET A 548 10.779 -38.893 -13.989 1.00 11.34 H new ATOM 0 HE2 MET A 548 12.415 -39.260 -14.587 1.00 11.34 H new ATOM 0 HE3 MET A 548 11.170 -40.532 -14.563 1.00 11.34 H new ATOM 308 N GLU A 549 15.306 -40.161 -12.690 1.00 51.44 N ATOM 309 CA GLU A 549 15.565 -39.036 -11.804 1.00 40.34 C ATOM 310 C GLU A 549 14.981 -37.740 -12.334 1.00 23.33 C ATOM 311 O GLU A 549 15.073 -37.442 -13.526 1.00 5.14 O ATOM 312 CB GLU A 549 17.067 -38.839 -11.567 1.00 15.23 C ATOM 313 CG GLU A 549 17.402 -38.703 -10.106 1.00 51.13 C ATOM 314 CD GLU A 549 18.902 -38.607 -9.830 1.00 34.34 C ATOM 315 OE1 GLU A 549 19.665 -38.216 -10.734 1.00 70.30 O ATOM 316 OE2 GLU A 549 19.303 -38.848 -8.665 1.00 13.03 O ATOM 0 H GLU A 549 15.383 -39.943 -13.683 1.00 51.44 H new ATOM 0 HA GLU A 549 15.076 -39.282 -10.861 1.00 40.34 H new ATOM 0 HB2 GLU A 549 17.613 -39.685 -11.985 1.00 15.23 H new ATOM 0 HB3 GLU A 549 17.403 -37.949 -12.099 1.00 15.23 H new ATOM 0 HG2 GLU A 549 16.910 -37.814 -9.710 1.00 51.13 H new ATOM 0 HG3 GLU A 549 16.996 -39.559 -9.567 1.00 51.13 H new ATOM 323 N VAL A 550 14.429 -36.946 -11.429 1.00 35.13 N ATOM 324 CA VAL A 550 13.961 -35.600 -11.757 1.00 54.22 C ATOM 325 C VAL A 550 14.835 -34.670 -10.969 1.00 53.21 C ATOM 326 O VAL A 550 15.145 -34.938 -9.809 1.00 61.11 O ATOM 327 CB VAL A 550 12.441 -35.373 -11.415 1.00 34.23 C ATOM 328 CG1 VAL A 550 11.697 -36.648 -11.604 1.00 11.13 C ATOM 329 CG2 VAL A 550 12.218 -34.855 -9.984 1.00 13.51 C ATOM 0 H VAL A 550 14.292 -37.210 -10.453 1.00 35.13 H new ATOM 0 HA VAL A 550 14.031 -35.426 -12.831 1.00 54.22 H new ATOM 0 HB VAL A 550 12.070 -34.605 -12.093 1.00 34.23 H new ATOM 0 HG11 VAL A 550 10.644 -36.493 -11.368 1.00 11.13 H new ATOM 0 HG12 VAL A 550 11.792 -36.975 -12.639 1.00 11.13 H new ATOM 0 HG13 VAL A 550 12.109 -37.411 -10.943 1.00 11.13 H new ATOM 0 HG21 VAL A 550 11.151 -34.718 -9.809 1.00 13.51 H new ATOM 0 HG22 VAL A 550 12.614 -35.577 -9.270 1.00 13.51 H new ATOM 0 HG23 VAL A 550 12.731 -33.902 -9.858 1.00 13.51 H new ATOM 339 N LYS A 551 15.255 -33.580 -11.582 1.00 33.10 N ATOM 340 CA LYS A 551 16.028 -32.583 -10.857 1.00 43.21 C ATOM 341 C LYS A 551 15.017 -31.598 -10.312 1.00 52.54 C ATOM 342 O LYS A 551 14.132 -31.118 -11.025 1.00 53.24 O ATOM 343 CB LYS A 551 17.077 -31.918 -11.743 1.00 11.15 C ATOM 344 CG LYS A 551 18.010 -32.936 -12.402 1.00 34.33 C ATOM 345 CD LYS A 551 18.984 -32.280 -13.365 1.00 44.14 C ATOM 346 CE LYS A 551 19.315 -33.219 -14.530 1.00 53.43 C ATOM 347 NZ LYS A 551 18.110 -33.436 -15.417 1.00 43.12 N ATOM 0 H LYS A 551 15.080 -33.362 -12.563 1.00 33.10 H new ATOM 0 HA LYS A 551 16.603 -33.035 -10.049 1.00 43.21 H new ATOM 0 HB2 LYS A 551 16.579 -31.332 -12.515 1.00 11.15 H new ATOM 0 HB3 LYS A 551 17.666 -31.222 -11.145 1.00 11.15 H new ATOM 0 HG2 LYS A 551 18.567 -33.469 -11.631 1.00 34.33 H new ATOM 0 HG3 LYS A 551 17.417 -33.678 -12.937 1.00 34.33 H new ATOM 0 HD2 LYS A 551 18.555 -31.355 -13.749 1.00 44.14 H new ATOM 0 HD3 LYS A 551 19.899 -32.012 -12.837 1.00 44.14 H new ATOM 0 HE2 LYS A 551 20.132 -32.800 -15.118 1.00 53.43 H new ATOM 0 HE3 LYS A 551 19.661 -34.177 -14.141 1.00 53.43 H new ATOM 0 HZ1 LYS A 551 18.392 -33.977 -16.259 1.00 43.12 H new ATOM 0 HZ2 LYS A 551 17.384 -33.964 -14.893 1.00 43.12 H new ATOM 0 HZ3 LYS A 551 17.724 -32.516 -15.710 1.00 43.12 H new ATOM 361 N VAL A 552 15.111 -31.368 -9.022 1.00 60.21 N ATOM 362 CA VAL A 552 14.181 -30.516 -8.314 1.00 74.24 C ATOM 363 C VAL A 552 14.841 -29.167 -8.221 1.00 41.41 C ATOM 364 O VAL A 552 16.022 -29.063 -7.862 1.00 10.22 O ATOM 365 CB VAL A 552 13.866 -31.039 -6.902 1.00 71.14 C ATOM 366 CG1 VAL A 552 12.658 -30.273 -6.340 1.00 30.54 C ATOM 367 CG2 VAL A 552 13.571 -32.553 -6.920 1.00 13.24 C ATOM 0 H VAL A 552 15.839 -31.769 -8.430 1.00 60.21 H new ATOM 0 HA VAL A 552 13.230 -30.481 -8.846 1.00 74.24 H new ATOM 0 HB VAL A 552 14.737 -30.878 -6.266 1.00 71.14 H new ATOM 0 HG11 VAL A 552 12.429 -30.639 -5.339 1.00 30.54 H new ATOM 0 HG12 VAL A 552 12.891 -29.209 -6.293 1.00 30.54 H new ATOM 0 HG13 VAL A 552 11.796 -30.427 -6.989 1.00 30.54 H new ATOM 0 HG21 VAL A 552 13.352 -32.893 -5.908 1.00 13.24 H new ATOM 0 HG22 VAL A 552 12.712 -32.749 -7.562 1.00 13.24 H new ATOM 0 HG23 VAL A 552 14.440 -33.088 -7.303 1.00 13.24 H new ATOM 377 N LEU A 553 14.112 -28.148 -8.623 1.00 54.35 N ATOM 378 CA LEU A 553 14.645 -26.812 -8.788 1.00 23.21 C ATOM 379 C LEU A 553 13.983 -25.867 -7.811 1.00 1.44 C ATOM 380 O LEU A 553 12.906 -26.159 -7.281 1.00 52.32 O ATOM 381 CB LEU A 553 14.371 -26.335 -10.212 1.00 24.24 C ATOM 382 CG LEU A 553 14.641 -27.340 -11.348 1.00 5.21 C ATOM 383 CD1 LEU A 553 14.355 -26.614 -12.643 1.00 0.34 C ATOM 384 CD2 LEU A 553 16.064 -27.925 -11.334 1.00 12.41 C ATOM 0 H LEU A 553 13.120 -28.225 -8.847 1.00 54.35 H new ATOM 0 HA LEU A 553 15.719 -26.828 -8.600 1.00 23.21 H new ATOM 0 HB2 LEU A 553 13.327 -26.028 -10.272 1.00 24.24 H new ATOM 0 HB3 LEU A 553 14.976 -25.447 -10.394 1.00 24.24 H new ATOM 0 HG LEU A 553 13.994 -28.208 -11.221 1.00 5.21 H new ATOM 0 HD11 LEU A 553 14.532 -27.285 -13.483 1.00 0.34 H new ATOM 0 HD12 LEU A 553 13.316 -26.285 -12.654 1.00 0.34 H new ATOM 0 HD13 LEU A 553 15.011 -25.747 -12.727 1.00 0.34 H new ATOM 0 HD21 LEU A 553 16.178 -28.624 -12.163 1.00 12.41 H new ATOM 0 HD22 LEU A 553 16.790 -27.118 -11.436 1.00 12.41 H new ATOM 0 HD23 LEU A 553 16.233 -28.448 -10.393 1.00 12.41 H new ATOM 396 N ARG A 554 14.609 -24.725 -7.575 1.00 53.24 N ATOM 397 CA ARG A 554 14.100 -23.767 -6.615 1.00 3.35 C ATOM 398 C ARG A 554 14.348 -22.329 -7.112 1.00 50.21 C ATOM 399 O ARG A 554 15.363 -22.073 -7.764 1.00 34.23 O ATOM 400 CB ARG A 554 14.772 -24.099 -5.261 1.00 21.13 C ATOM 401 CG ARG A 554 14.726 -23.024 -4.197 1.00 75.22 C ATOM 402 CD ARG A 554 16.084 -22.343 -4.041 1.00 14.30 C ATOM 403 NE ARG A 554 16.736 -22.054 -5.336 1.00 71.15 N ATOM 404 CZ ARG A 554 17.646 -21.119 -5.583 1.00 13.33 C ATOM 405 NH1 ARG A 554 18.110 -20.313 -4.663 1.00 32.42 N ATOM 406 NH2 ARG A 554 18.099 -20.996 -6.798 1.00 33.33 N ATOM 0 H ARG A 554 15.472 -24.441 -8.038 1.00 53.24 H new ATOM 0 HA ARG A 554 13.019 -23.832 -6.489 1.00 3.35 H new ATOM 0 HB2 ARG A 554 14.301 -24.996 -4.859 1.00 21.13 H new ATOM 0 HB3 ARG A 554 15.817 -24.345 -5.451 1.00 21.13 H new ATOM 0 HG2 ARG A 554 13.972 -22.282 -4.459 1.00 75.22 H new ATOM 0 HG3 ARG A 554 14.425 -23.463 -3.246 1.00 75.22 H new ATOM 0 HD2 ARG A 554 15.956 -21.412 -3.489 1.00 14.30 H new ATOM 0 HD3 ARG A 554 16.738 -22.980 -3.445 1.00 14.30 H new ATOM 0 HE ARG A 554 16.456 -22.636 -6.126 1.00 71.15 H new ATOM 0 HH11 ARG A 554 17.773 -20.386 -3.703 1.00 32.42 H new ATOM 0 HH12 ARG A 554 18.809 -19.611 -4.905 1.00 32.42 H new ATOM 0 HH21 ARG A 554 17.754 -21.611 -7.535 1.00 33.33 H new ATOM 0 HH22 ARG A 554 18.798 -20.285 -7.012 1.00 33.33 H new ATOM 420 N THR A 555 13.444 -21.402 -6.803 1.00 21.42 N ATOM 421 CA THR A 555 13.621 -19.967 -7.148 1.00 23.14 C ATOM 422 C THR A 555 14.613 -19.301 -6.192 1.00 15.34 C ATOM 423 O THR A 555 14.929 -19.868 -5.170 1.00 51.23 O ATOM 424 CB THR A 555 12.279 -19.169 -7.092 1.00 73.12 C ATOM 425 OG1 THR A 555 12.401 -17.990 -7.892 1.00 11.31 O ATOM 426 CG2 THR A 555 11.924 -18.721 -5.657 1.00 3.50 C ATOM 0 H THR A 555 12.573 -21.606 -6.312 1.00 21.42 H new ATOM 0 HA THR A 555 13.999 -19.945 -8.170 1.00 23.14 H new ATOM 0 HB THR A 555 11.495 -19.832 -7.458 1.00 73.12 H new ATOM 0 HG1 THR A 555 11.561 -17.486 -7.862 1.00 11.31 H new ATOM 0 HG21 THR A 555 10.983 -18.170 -5.670 1.00 3.50 H new ATOM 0 HG22 THR A 555 11.823 -19.597 -5.017 1.00 3.50 H new ATOM 0 HG23 THR A 555 12.715 -18.079 -5.270 1.00 3.50 H new ATOM 434 N SER A 556 15.052 -18.080 -6.479 1.00 13.41 N ATOM 435 CA SER A 556 16.032 -17.342 -5.645 1.00 42.25 C ATOM 436 C SER A 556 15.643 -17.006 -4.181 1.00 72.03 C ATOM 437 O SER A 556 16.268 -16.159 -3.544 1.00 74.42 O ATOM 438 CB SER A 556 16.358 -16.036 -6.363 1.00 5.20 C ATOM 439 OG SER A 556 16.492 -16.278 -7.753 1.00 5.33 O ATOM 0 H SER A 556 14.744 -17.559 -7.300 1.00 13.41 H new ATOM 0 HA SER A 556 16.869 -18.032 -5.538 1.00 42.25 H new ATOM 0 HB2 SER A 556 15.569 -15.305 -6.185 1.00 5.20 H new ATOM 0 HB3 SER A 556 17.281 -15.612 -5.967 1.00 5.20 H new ATOM 0 HG SER A 556 16.700 -15.438 -8.213 1.00 5.33 H new ATOM 445 N GLY A 557 14.650 -17.704 -3.648 1.00 63.04 N ATOM 446 CA GLY A 557 14.190 -17.529 -2.285 1.00 10.42 C ATOM 447 C GLY A 557 14.918 -18.420 -1.288 1.00 13.44 C ATOM 448 O GLY A 557 14.435 -18.657 -0.218 1.00 12.55 O ATOM 0 H GLY A 557 14.135 -18.419 -4.162 1.00 63.04 H new ATOM 0 HA2 GLY A 557 14.322 -16.487 -1.995 1.00 10.42 H new ATOM 0 HA3 GLY A 557 13.122 -17.740 -2.239 1.00 10.42 H new ATOM 452 N ALA A 558 16.045 -19.004 -1.642 1.00 62.20 N ATOM 453 CA ALA A 558 16.691 -19.943 -0.711 1.00 2.53 C ATOM 454 C ALA A 558 17.180 -19.244 0.556 1.00 70.12 C ATOM 455 O ALA A 558 18.120 -18.454 0.514 1.00 64.41 O ATOM 456 CB ALA A 558 17.819 -20.656 -1.359 1.00 53.52 C ATOM 0 H ALA A 558 16.527 -18.862 -2.529 1.00 62.20 H new ATOM 0 HA ALA A 558 15.931 -20.671 -0.427 1.00 2.53 H new ATOM 0 HB1 ALA A 558 18.275 -21.342 -0.645 1.00 53.52 H new ATOM 0 HB2 ALA A 558 17.449 -21.218 -2.217 1.00 53.52 H new ATOM 0 HB3 ALA A 558 18.563 -19.933 -1.693 1.00 53.52 H new ATOM 462 N ARG A 559 16.523 -19.539 1.665 1.00 10.22 N ATOM 463 CA ARG A 559 16.849 -18.952 2.958 1.00 61.42 C ATOM 464 C ARG A 559 16.716 -20.076 3.974 1.00 75.35 C ATOM 465 O ARG A 559 15.635 -20.626 4.138 1.00 54.05 O ATOM 466 CB ARG A 559 15.860 -17.820 3.307 1.00 72.44 C ATOM 467 CG ARG A 559 15.690 -16.726 2.231 1.00 43.33 C ATOM 468 CD ARG A 559 16.880 -15.777 2.120 1.00 44.23 C ATOM 469 NE ARG A 559 16.632 -14.765 1.073 1.00 61.43 N ATOM 470 CZ ARG A 559 16.882 -14.916 -0.224 1.00 34.52 C ATOM 471 NH1 ARG A 559 17.418 -15.992 -0.729 1.00 61.43 N ATOM 472 NH2 ARG A 559 16.570 -13.955 -1.041 1.00 52.43 N ATOM 0 H ARG A 559 15.743 -20.196 1.696 1.00 10.22 H new ATOM 0 HA ARG A 559 17.851 -18.522 2.951 1.00 61.42 H new ATOM 0 HB2 ARG A 559 14.884 -18.263 3.506 1.00 72.44 H new ATOM 0 HB3 ARG A 559 16.190 -17.346 4.232 1.00 72.44 H new ATOM 0 HG2 ARG A 559 15.527 -17.203 1.265 1.00 43.33 H new ATOM 0 HG3 ARG A 559 14.795 -16.146 2.455 1.00 43.33 H new ATOM 0 HD2 ARG A 559 17.052 -15.285 3.077 1.00 44.23 H new ATOM 0 HD3 ARG A 559 17.783 -16.341 1.884 1.00 44.23 H new ATOM 0 HE ARG A 559 16.235 -13.874 1.371 1.00 61.43 H new ATOM 0 HH11 ARG A 559 17.667 -16.772 -0.120 1.00 61.43 H new ATOM 0 HH12 ARG A 559 17.588 -16.054 -1.733 1.00 61.43 H new ATOM 0 HH21 ARG A 559 16.140 -13.102 -0.684 1.00 52.43 H new ATOM 0 HH22 ARG A 559 16.755 -14.054 -2.039 1.00 52.43 H new ATOM 486 N GLY A 560 17.803 -20.436 4.630 1.00 74.15 N ATOM 487 CA GLY A 560 17.745 -21.482 5.632 1.00 3.23 C ATOM 488 C GLY A 560 17.632 -22.868 5.040 1.00 74.41 C ATOM 489 O GLY A 560 18.181 -23.157 3.977 1.00 52.33 O ATOM 0 H GLY A 560 18.726 -20.025 4.490 1.00 74.15 H new ATOM 0 HA2 GLY A 560 18.639 -21.431 6.253 1.00 3.23 H new ATOM 0 HA3 GLY A 560 16.892 -21.303 6.286 1.00 3.23 H new ATOM 493 N THR A 561 16.920 -23.717 5.759 1.00 73.45 N ATOM 494 CA THR A 561 16.748 -25.118 5.421 1.00 20.12 C ATOM 495 C THR A 561 15.264 -25.418 5.400 1.00 62.41 C ATOM 496 O THR A 561 14.533 -24.989 6.266 1.00 3.22 O ATOM 497 CB THR A 561 17.405 -26.002 6.494 1.00 32.13 C ATOM 498 OG1 THR A 561 18.795 -25.682 6.583 1.00 4.11 O ATOM 499 CG2 THR A 561 17.261 -27.473 6.182 1.00 13.01 C ATOM 0 H THR A 561 16.434 -23.445 6.614 1.00 73.45 H new ATOM 0 HA THR A 561 17.206 -25.321 4.453 1.00 20.12 H new ATOM 0 HB THR A 561 16.900 -25.806 7.440 1.00 32.13 H new ATOM 0 HG1 THR A 561 19.217 -26.243 7.267 1.00 4.11 H new ATOM 0 HG21 THR A 561 17.740 -28.060 6.966 1.00 13.01 H new ATOM 0 HG22 THR A 561 16.204 -27.732 6.129 1.00 13.01 H new ATOM 0 HG23 THR A 561 17.736 -27.690 5.225 1.00 13.01 H new ATOM 507 N VAL A 562 14.818 -26.136 4.393 1.00 10.44 N ATOM 508 CA VAL A 562 13.434 -26.519 4.231 1.00 22.43 C ATOM 509 C VAL A 562 13.459 -27.984 3.795 1.00 32.51 C ATOM 510 O VAL A 562 14.450 -28.437 3.265 1.00 54.50 O ATOM 511 CB VAL A 562 12.709 -25.534 3.242 1.00 12.40 C ATOM 512 CG1 VAL A 562 13.696 -24.630 2.504 1.00 51.20 C ATOM 513 CG2 VAL A 562 11.781 -26.231 2.271 1.00 73.24 C ATOM 0 H VAL A 562 15.423 -26.478 3.646 1.00 10.44 H new ATOM 0 HA VAL A 562 12.848 -26.442 5.147 1.00 22.43 H new ATOM 0 HB VAL A 562 12.081 -24.904 3.872 1.00 12.40 H new ATOM 0 HG11 VAL A 562 13.150 -23.967 1.833 1.00 51.20 H new ATOM 0 HG12 VAL A 562 14.255 -24.035 3.226 1.00 51.20 H new ATOM 0 HG13 VAL A 562 14.388 -25.242 1.926 1.00 51.20 H new ATOM 0 HG21 VAL A 562 11.315 -25.492 1.619 1.00 73.24 H new ATOM 0 HG22 VAL A 562 12.350 -26.939 1.668 1.00 73.24 H new ATOM 0 HG23 VAL A 562 11.009 -26.765 2.825 1.00 73.24 H new ATOM 523 N ILE A 563 12.409 -28.734 4.081 1.00 72.20 N ATOM 524 CA ILE A 563 12.329 -30.138 3.721 1.00 34.13 C ATOM 525 C ILE A 563 11.138 -30.273 2.759 1.00 64.44 C ATOM 526 O ILE A 563 10.134 -29.563 2.912 1.00 43.20 O ATOM 527 CB ILE A 563 12.188 -31.021 5.004 1.00 20.10 C ATOM 528 CG1 ILE A 563 12.845 -32.383 4.788 1.00 3.22 C ATOM 529 CG2 ILE A 563 10.715 -31.224 5.413 1.00 42.52 C ATOM 530 CD1 ILE A 563 13.278 -33.065 6.081 1.00 63.43 C ATOM 0 H ILE A 563 11.585 -28.385 4.571 1.00 72.20 H new ATOM 0 HA ILE A 563 13.234 -30.490 3.226 1.00 34.13 H new ATOM 0 HB ILE A 563 12.692 -30.490 5.811 1.00 20.10 H new ATOM 0 HG12 ILE A 563 12.148 -33.034 4.260 1.00 3.22 H new ATOM 0 HG13 ILE A 563 13.715 -32.259 4.144 1.00 3.22 H new ATOM 0 HG21 ILE A 563 10.668 -31.843 6.309 1.00 42.52 H new ATOM 0 HG22 ILE A 563 10.257 -30.256 5.617 1.00 42.52 H new ATOM 0 HG23 ILE A 563 10.177 -31.716 4.603 1.00 42.52 H new ATOM 0 HD11 ILE A 563 13.736 -34.027 5.849 1.00 63.43 H new ATOM 0 HD12 ILE A 563 14.000 -32.435 6.601 1.00 63.43 H new ATOM 0 HD13 ILE A 563 12.408 -33.222 6.719 1.00 63.43 H new ATOM 542 N VAL A 564 11.258 -31.113 1.737 1.00 45.55 N ATOM 543 CA VAL A 564 10.182 -31.275 0.748 1.00 51.21 C ATOM 544 C VAL A 564 9.916 -32.755 0.402 1.00 13.10 C ATOM 545 O VAL A 564 10.768 -33.416 -0.188 1.00 73.11 O ATOM 546 CB VAL A 564 10.498 -30.532 -0.593 1.00 52.30 C ATOM 547 CG1 VAL A 564 9.237 -30.505 -1.487 1.00 73.12 C ATOM 548 CG2 VAL A 564 10.972 -29.089 -0.333 1.00 50.34 C ATOM 0 H VAL A 564 12.081 -31.691 1.566 1.00 45.55 H new ATOM 0 HA VAL A 564 9.301 -30.842 1.221 1.00 51.21 H new ATOM 0 HB VAL A 564 11.299 -31.073 -1.097 1.00 52.30 H new ATOM 0 HG11 VAL A 564 9.463 -29.987 -2.419 1.00 73.12 H new ATOM 0 HG12 VAL A 564 8.924 -31.526 -1.706 1.00 73.12 H new ATOM 0 HG13 VAL A 564 8.434 -29.983 -0.967 1.00 73.12 H new ATOM 0 HG21 VAL A 564 11.184 -28.599 -1.283 1.00 50.34 H new ATOM 0 HG22 VAL A 564 10.192 -28.539 0.193 1.00 50.34 H new ATOM 0 HG23 VAL A 564 11.876 -29.107 0.275 1.00 50.34 H new ATOM 558 N PRO A 565 8.732 -33.287 0.753 1.00 30.31 N ATOM 559 CA PRO A 565 8.376 -34.660 0.365 1.00 41.34 C ATOM 560 C PRO A 565 7.970 -34.845 -1.079 1.00 64.14 C ATOM 561 O PRO A 565 7.469 -33.923 -1.716 1.00 10.32 O ATOM 562 CB PRO A 565 7.168 -34.966 1.262 1.00 75.11 C ATOM 563 CG PRO A 565 6.571 -33.670 1.540 1.00 71.22 C ATOM 564 CD PRO A 565 7.648 -32.648 1.515 1.00 3.12 C ATOM 0 HA PRO A 565 9.242 -35.312 0.479 1.00 41.34 H new ATOM 0 HB2 PRO A 565 6.461 -35.627 0.761 1.00 75.11 H new ATOM 0 HB3 PRO A 565 7.475 -35.465 2.181 1.00 75.11 H new ATOM 0 HG2 PRO A 565 5.808 -33.436 0.798 1.00 71.22 H new ATOM 0 HG3 PRO A 565 6.078 -33.679 2.512 1.00 71.22 H new ATOM 0 HD2 PRO A 565 7.313 -31.728 1.036 1.00 3.12 H new ATOM 0 HD3 PRO A 565 7.971 -32.384 2.522 1.00 3.12 H new ATOM 572 N PHE A 566 8.115 -36.072 -1.564 1.00 2.53 N ATOM 573 CA PHE A 566 7.652 -36.466 -2.876 1.00 50.34 C ATOM 574 C PHE A 566 7.064 -37.855 -2.775 1.00 42.41 C ATOM 575 O PHE A 566 7.312 -38.549 -1.791 1.00 1.20 O ATOM 576 CB PHE A 566 8.830 -36.511 -3.821 1.00 11.41 C ATOM 577 CG PHE A 566 9.891 -37.517 -3.426 1.00 12.32 C ATOM 578 CD1 PHE A 566 10.936 -37.145 -2.558 1.00 74.40 C ATOM 579 CD2 PHE A 566 9.861 -38.830 -3.928 1.00 60.41 C ATOM 580 CE1 PHE A 566 11.940 -38.077 -2.192 1.00 21.22 C ATOM 581 CE2 PHE A 566 10.861 -39.769 -3.567 1.00 64.00 C ATOM 582 CZ PHE A 566 11.903 -39.387 -2.702 1.00 52.53 C ATOM 0 H PHE A 566 8.564 -36.827 -1.045 1.00 2.53 H new ATOM 0 HA PHE A 566 6.908 -35.758 -3.241 1.00 50.34 H new ATOM 0 HB2 PHE A 566 8.472 -36.749 -4.823 1.00 11.41 H new ATOM 0 HB3 PHE A 566 9.282 -35.520 -3.871 1.00 11.41 H new ATOM 0 HD1 PHE A 566 10.973 -36.139 -2.167 1.00 74.40 H new ATOM 0 HD2 PHE A 566 9.067 -39.127 -4.597 1.00 60.41 H new ATOM 0 HE1 PHE A 566 12.733 -37.781 -1.522 1.00 21.22 H new ATOM 0 HE2 PHE A 566 10.823 -40.776 -3.956 1.00 64.00 H new ATOM 0 HZ PHE A 566 12.671 -40.097 -2.431 1.00 52.53 H new ATOM 592 N ARG A 567 6.332 -38.262 -3.801 1.00 23.31 N ATOM 593 CA ARG A 567 5.805 -39.627 -3.906 1.00 55.35 C ATOM 594 C ARG A 567 5.517 -39.928 -5.369 1.00 60.31 C ATOM 595 O ARG A 567 5.299 -38.998 -6.144 1.00 74.21 O ATOM 596 CB ARG A 567 4.535 -39.769 -3.058 1.00 74.54 C ATOM 597 CG ARG A 567 3.416 -38.799 -3.437 1.00 20.34 C ATOM 598 CD ARG A 567 2.543 -39.316 -4.569 1.00 4.34 C ATOM 599 NE ARG A 567 2.033 -40.686 -4.391 1.00 31.12 N ATOM 600 CZ ARG A 567 0.836 -41.043 -3.950 1.00 61.05 C ATOM 601 NH1 ARG A 567 -0.061 -40.174 -3.553 1.00 5.45 N ATOM 602 NH2 ARG A 567 0.541 -42.311 -3.931 1.00 71.33 N ATOM 0 H ARG A 567 6.083 -37.661 -4.587 1.00 23.31 H new ATOM 0 HA ARG A 567 6.538 -40.340 -3.530 1.00 55.35 H new ATOM 0 HB2 ARG A 567 4.163 -40.789 -3.150 1.00 74.54 H new ATOM 0 HB3 ARG A 567 4.793 -39.617 -2.010 1.00 74.54 H new ATOM 0 HG2 ARG A 567 2.794 -38.610 -2.562 1.00 20.34 H new ATOM 0 HG3 ARG A 567 3.853 -37.844 -3.729 1.00 20.34 H new ATOM 0 HD2 ARG A 567 1.695 -38.642 -4.689 1.00 4.34 H new ATOM 0 HD3 ARG A 567 3.116 -39.276 -5.496 1.00 4.34 H new ATOM 0 HE ARG A 567 2.672 -41.443 -4.634 1.00 31.12 H new ATOM 0 HH11 ARG A 567 0.150 -39.176 -3.576 1.00 5.45 H new ATOM 0 HH12 ARG A 567 -0.970 -40.495 -3.221 1.00 5.45 H new ATOM 0 HH21 ARG A 567 1.224 -42.998 -4.250 1.00 71.33 H new ATOM 0 HH22 ARG A 567 -0.373 -42.617 -3.597 1.00 71.33 H new ATOM 616 N THR A 568 5.483 -41.197 -5.736 1.00 51.12 N ATOM 617 CA THR A 568 5.215 -41.607 -7.116 1.00 51.23 C ATOM 618 C THR A 568 3.699 -41.803 -7.268 1.00 51.15 C ATOM 619 O THR A 568 3.045 -42.291 -6.357 1.00 14.13 O ATOM 620 CB THR A 568 6.011 -42.890 -7.408 1.00 61.12 C ATOM 621 OG1 THR A 568 7.369 -42.672 -7.023 1.00 22.24 O ATOM 622 CG2 THR A 568 6.031 -43.254 -8.845 1.00 62.35 C ATOM 0 H THR A 568 5.639 -41.974 -5.094 1.00 51.12 H new ATOM 0 HA THR A 568 5.531 -40.854 -7.838 1.00 51.23 H new ATOM 0 HB THR A 568 5.526 -43.694 -6.855 1.00 61.12 H new ATOM 0 HG1 THR A 568 7.949 -43.302 -7.499 1.00 22.24 H new ATOM 0 HG21 THR A 568 6.609 -44.168 -8.981 1.00 62.35 H new ATOM 0 HG22 THR A 568 5.011 -43.415 -9.194 1.00 62.35 H new ATOM 0 HG23 THR A 568 6.488 -42.447 -9.418 1.00 62.35 H new ATOM 630 N VAL A 569 3.140 -41.333 -8.374 1.00 14.03 N ATOM 631 CA VAL A 569 1.709 -41.292 -8.621 1.00 41.51 C ATOM 632 C VAL A 569 1.546 -41.974 -9.930 1.00 12.22 C ATOM 633 O VAL A 569 2.035 -41.530 -10.954 1.00 10.43 O ATOM 634 CB VAL A 569 1.139 -39.854 -8.829 1.00 1.42 C ATOM 635 CG1 VAL A 569 -0.387 -39.912 -9.048 1.00 2.21 C ATOM 636 CG2 VAL A 569 1.439 -38.954 -7.665 1.00 33.31 C ATOM 0 H VAL A 569 3.689 -40.958 -9.148 1.00 14.03 H new ATOM 0 HA VAL A 569 1.193 -41.731 -7.767 1.00 41.51 H new ATOM 0 HB VAL A 569 1.627 -39.440 -9.711 1.00 1.42 H new ATOM 0 HG11 VAL A 569 -0.773 -38.903 -9.192 1.00 2.21 H new ATOM 0 HG12 VAL A 569 -0.605 -40.513 -9.931 1.00 2.21 H new ATOM 0 HG13 VAL A 569 -0.863 -40.361 -8.176 1.00 2.21 H new ATOM 0 HG21 VAL A 569 1.023 -37.964 -7.854 1.00 33.31 H new ATOM 0 HG22 VAL A 569 0.993 -39.368 -6.761 1.00 33.31 H new ATOM 0 HG23 VAL A 569 2.518 -38.876 -7.534 1.00 33.31 H new ATOM 646 N GLU A 570 0.885 -43.085 -9.878 1.00 11.31 N ATOM 647 CA GLU A 570 0.655 -43.882 -11.045 1.00 2.33 C ATOM 648 C GLU A 570 -0.550 -43.370 -11.840 1.00 30.33 C ATOM 649 O GLU A 570 -1.533 -42.913 -11.271 1.00 42.13 O ATOM 650 CB GLU A 570 0.534 -45.345 -10.633 1.00 10.44 C ATOM 651 CG GLU A 570 0.260 -45.665 -9.129 1.00 51.14 C ATOM 652 CD GLU A 570 -0.955 -44.953 -8.513 1.00 64.44 C ATOM 653 OE1 GLU A 570 -2.098 -45.407 -8.698 1.00 44.11 O ATOM 654 OE2 GLU A 570 -0.724 -43.978 -7.748 1.00 34.24 O ATOM 0 H GLU A 570 0.486 -43.469 -9.021 1.00 11.31 H new ATOM 0 HA GLU A 570 1.503 -43.800 -11.725 1.00 2.33 H new ATOM 0 HB2 GLU A 570 -0.268 -45.792 -11.221 1.00 10.44 H new ATOM 0 HB3 GLU A 570 1.457 -45.849 -10.918 1.00 10.44 H new ATOM 0 HG2 GLU A 570 0.121 -46.741 -9.024 1.00 51.14 H new ATOM 0 HG3 GLU A 570 1.146 -45.400 -8.552 1.00 51.14 H new ATOM 661 N GLY A 571 -0.419 -43.385 -13.164 1.00 55.14 N ATOM 662 CA GLY A 571 -1.485 -42.918 -14.046 1.00 1.04 C ATOM 663 C GLY A 571 -2.085 -44.111 -14.756 1.00 53.44 C ATOM 664 O GLY A 571 -3.150 -44.588 -14.389 1.00 44.33 O ATOM 0 H GLY A 571 0.415 -43.715 -13.650 1.00 55.14 H new ATOM 0 HA2 GLY A 571 -2.250 -42.397 -13.471 1.00 1.04 H new ATOM 0 HA3 GLY A 571 -1.091 -42.206 -14.771 1.00 1.04 H new ATOM 668 N THR A 572 -1.352 -44.647 -15.721 1.00 35.34 N ATOM 669 CA THR A 572 -1.652 -45.978 -16.253 1.00 4.40 C ATOM 670 C THR A 572 -0.420 -46.796 -15.906 1.00 4.10 C ATOM 671 O THR A 572 0.671 -46.512 -16.402 1.00 44.41 O ATOM 672 CB THR A 572 -2.016 -45.987 -17.774 1.00 25.10 C ATOM 673 OG1 THR A 572 -2.081 -47.338 -18.247 1.00 15.43 O ATOM 674 CG2 THR A 572 -1.032 -45.216 -18.627 1.00 61.13 C ATOM 0 H THR A 572 -0.550 -44.188 -16.152 1.00 35.34 H new ATOM 0 HA THR A 572 -2.556 -46.399 -15.813 1.00 4.40 H new ATOM 0 HB THR A 572 -2.983 -45.493 -17.865 1.00 25.10 H new ATOM 0 HG1 THR A 572 -1.173 -47.695 -18.342 1.00 15.43 H new ATOM 0 HG21 THR A 572 -1.342 -45.261 -19.671 1.00 61.13 H new ATOM 0 HG22 THR A 572 -1.005 -44.176 -18.301 1.00 61.13 H new ATOM 0 HG23 THR A 572 -0.039 -45.654 -18.524 1.00 61.13 H new ATOM 682 N ALA A 573 -0.590 -47.726 -14.976 1.00 54.24 N ATOM 683 CA ALA A 573 0.483 -48.577 -14.465 1.00 52.54 C ATOM 684 C ALA A 573 -0.135 -49.482 -13.412 1.00 12.23 C ATOM 685 O ALA A 573 -1.207 -49.184 -12.884 1.00 45.45 O ATOM 686 CB ALA A 573 1.599 -47.739 -13.804 1.00 30.40 C ATOM 0 H ALA A 573 -1.495 -47.916 -14.545 1.00 54.24 H new ATOM 0 HA ALA A 573 0.928 -49.140 -15.286 1.00 52.54 H new ATOM 0 HB1 ALA A 573 2.381 -48.402 -13.435 1.00 30.40 H new ATOM 0 HB2 ALA A 573 2.022 -47.053 -14.538 1.00 30.40 H new ATOM 0 HB3 ALA A 573 1.183 -47.170 -12.972 1.00 30.40 H new ATOM 692 N LYS A 574 0.588 -50.525 -13.044 1.00 25.22 N ATOM 693 CA LYS A 574 0.215 -51.396 -11.935 1.00 32.03 C ATOM 694 C LYS A 574 0.687 -50.761 -10.631 1.00 62.24 C ATOM 695 O LYS A 574 0.086 -50.939 -9.573 1.00 40.31 O ATOM 696 CB LYS A 574 0.911 -52.742 -12.103 1.00 42.42 C ATOM 697 CG LYS A 574 0.762 -53.384 -13.480 1.00 44.21 C ATOM 698 CD LYS A 574 -0.237 -54.516 -13.492 1.00 51.42 C ATOM 699 CE LYS A 574 -0.176 -55.243 -14.829 1.00 15.12 C ATOM 700 NZ LYS A 574 1.207 -55.775 -15.144 1.00 74.43 N ATOM 0 H LYS A 574 1.456 -50.796 -13.506 1.00 25.22 H new ATOM 0 HA LYS A 574 -0.866 -51.534 -11.919 1.00 32.03 H new ATOM 0 HB2 LYS A 574 1.973 -52.613 -11.893 1.00 42.42 H new ATOM 0 HB3 LYS A 574 0.520 -53.431 -11.354 1.00 42.42 H new ATOM 0 HG2 LYS A 574 0.453 -52.625 -14.198 1.00 44.21 H new ATOM 0 HG3 LYS A 574 1.732 -53.758 -13.809 1.00 44.21 H new ATOM 0 HD2 LYS A 574 -0.023 -55.211 -12.680 1.00 51.42 H new ATOM 0 HD3 LYS A 574 -1.242 -54.128 -13.324 1.00 51.42 H new ATOM 0 HE2 LYS A 574 -0.886 -56.070 -14.820 1.00 15.12 H new ATOM 0 HE3 LYS A 574 -0.488 -54.563 -15.622 1.00 15.12 H new ATOM 0 HZ1 LYS A 574 1.139 -56.503 -15.884 1.00 74.43 H new ATOM 0 HZ2 LYS A 574 1.810 -54.997 -15.478 1.00 74.43 H new ATOM 0 HZ3 LYS A 574 1.622 -56.191 -14.286 1.00 74.43 H new ATOM 714 N GLY A 575 1.780 -50.016 -10.730 1.00 45.31 N ATOM 715 CA GLY A 575 2.368 -49.365 -9.572 1.00 54.02 C ATOM 716 C GLY A 575 2.958 -50.330 -8.569 1.00 14.22 C ATOM 717 O GLY A 575 3.306 -51.462 -8.894 1.00 71.23 O ATOM 0 H GLY A 575 2.277 -49.849 -11.605 1.00 45.31 H new ATOM 0 HA2 GLY A 575 3.148 -48.681 -9.907 1.00 54.02 H new ATOM 0 HA3 GLY A 575 1.606 -48.762 -9.079 1.00 54.02 H new ATOM 721 N GLY A 576 3.046 -49.878 -7.325 1.00 63.14 N ATOM 722 CA GLY A 576 3.530 -50.725 -6.252 1.00 13.41 C ATOM 723 C GLY A 576 4.993 -51.054 -6.419 1.00 72.52 C ATOM 724 O GLY A 576 5.838 -50.209 -6.196 1.00 55.54 O ATOM 0 H GLY A 576 2.789 -48.933 -7.038 1.00 63.14 H new ATOM 0 HA2 GLY A 576 3.376 -50.225 -5.296 1.00 13.41 H new ATOM 0 HA3 GLY A 576 2.950 -51.647 -6.226 1.00 13.41 H new ATOM 728 N GLY A 577 5.264 -52.312 -6.732 1.00 62.02 N ATOM 729 CA GLY A 577 6.603 -52.788 -7.062 1.00 12.35 C ATOM 730 C GLY A 577 6.639 -53.449 -8.424 1.00 54.02 C ATOM 731 O GLY A 577 7.526 -54.249 -8.668 1.00 21.42 O ATOM 0 H GLY A 577 4.552 -53.042 -6.765 1.00 62.02 H new ATOM 0 HA2 GLY A 577 7.302 -51.952 -7.044 1.00 12.35 H new ATOM 0 HA3 GLY A 577 6.935 -53.497 -6.304 1.00 12.35 H new ATOM 735 N GLU A 578 5.596 -53.267 -9.223 1.00 22.44 N ATOM 736 CA GLU A 578 5.425 -54.051 -10.453 1.00 13.14 C ATOM 737 C GLU A 578 5.952 -53.398 -11.732 1.00 62.22 C ATOM 738 O GLU A 578 6.687 -54.024 -12.470 1.00 40.24 O ATOM 739 CB GLU A 578 3.952 -54.419 -10.593 1.00 51.41 C ATOM 740 CG GLU A 578 3.639 -55.337 -11.777 1.00 24.15 C ATOM 741 CD GLU A 578 2.312 -56.088 -11.621 1.00 24.43 C ATOM 742 OE1 GLU A 578 1.616 -55.902 -10.595 1.00 33.42 O ATOM 743 OE2 GLU A 578 1.956 -56.862 -12.542 1.00 55.31 O ATOM 0 H GLU A 578 4.855 -52.588 -9.048 1.00 22.44 H new ATOM 0 HA GLU A 578 6.048 -54.938 -10.341 1.00 13.14 H new ATOM 0 HB2 GLU A 578 3.623 -54.906 -9.675 1.00 51.41 H new ATOM 0 HB3 GLU A 578 3.369 -53.503 -10.695 1.00 51.41 H new ATOM 0 HG2 GLU A 578 3.609 -54.744 -12.691 1.00 24.15 H new ATOM 0 HG3 GLU A 578 4.447 -56.059 -11.893 1.00 24.15 H new ATOM 750 N ASP A 579 5.591 -52.145 -11.990 1.00 34.44 N ATOM 751 CA ASP A 579 6.089 -51.448 -13.195 1.00 35.33 C ATOM 752 C ASP A 579 7.238 -50.544 -12.788 1.00 34.24 C ATOM 753 O ASP A 579 8.178 -50.279 -13.533 1.00 64.21 O ATOM 754 CB ASP A 579 4.996 -50.580 -13.817 1.00 3.10 C ATOM 755 CG ASP A 579 3.851 -51.388 -14.385 1.00 55.30 C ATOM 756 OD1 ASP A 579 3.928 -52.620 -14.501 1.00 2.34 O ATOM 757 OD2 ASP A 579 2.805 -50.761 -14.619 1.00 72.25 O ATOM 0 H ASP A 579 4.969 -51.591 -11.401 1.00 34.44 H new ATOM 0 HA ASP A 579 6.407 -52.194 -13.924 1.00 35.33 H new ATOM 0 HB2 ASP A 579 4.610 -49.895 -13.062 1.00 3.10 H new ATOM 0 HB3 ASP A 579 5.431 -49.970 -14.609 1.00 3.10 H new ATOM 762 N PHE A 580 7.135 -50.057 -11.567 1.00 74.25 N ATOM 763 CA PHE A 580 8.144 -49.216 -10.958 1.00 54.41 C ATOM 764 C PHE A 580 7.803 -49.268 -9.495 1.00 73.43 C ATOM 765 O PHE A 580 6.691 -49.661 -9.130 1.00 14.32 O ATOM 766 CB PHE A 580 8.094 -47.772 -11.474 1.00 64.54 C ATOM 767 CG PHE A 580 6.713 -47.237 -11.612 1.00 32.24 C ATOM 768 CD1 PHE A 580 6.017 -46.732 -10.496 1.00 23.14 C ATOM 769 CD2 PHE A 580 6.086 -47.242 -12.866 1.00 65.14 C ATOM 770 CE1 PHE A 580 4.701 -46.250 -10.633 1.00 73.24 C ATOM 771 CE2 PHE A 580 4.782 -46.768 -13.015 1.00 11.41 C ATOM 772 CZ PHE A 580 4.083 -46.275 -11.898 1.00 71.41 C ATOM 0 H PHE A 580 6.335 -50.238 -10.961 1.00 74.25 H new ATOM 0 HA PHE A 580 9.153 -49.560 -11.186 1.00 54.41 H new ATOM 0 HB2 PHE A 580 8.656 -47.132 -10.794 1.00 64.54 H new ATOM 0 HB3 PHE A 580 8.592 -47.723 -12.442 1.00 64.54 H new ATOM 0 HD1 PHE A 580 6.496 -46.714 -9.528 1.00 23.14 H new ATOM 0 HD2 PHE A 580 6.619 -47.617 -13.727 1.00 65.14 H new ATOM 0 HE1 PHE A 580 4.170 -45.864 -9.775 1.00 73.24 H new ATOM 0 HE2 PHE A 580 4.310 -46.780 -13.986 1.00 11.41 H new ATOM 0 HZ PHE A 580 3.071 -45.915 -12.011 1.00 71.41 H new ATOM 782 N GLU A 581 8.750 -48.889 -8.664 1.00 61.03 N ATOM 783 CA GLU A 581 8.534 -48.875 -7.228 1.00 63.22 C ATOM 784 C GLU A 581 7.961 -47.525 -6.813 1.00 73.42 C ATOM 785 O GLU A 581 8.449 -46.489 -7.261 1.00 12.43 O ATOM 786 CB GLU A 581 9.853 -49.131 -6.501 1.00 71.44 C ATOM 787 CG GLU A 581 10.424 -50.523 -6.776 1.00 72.30 C ATOM 788 CD GLU A 581 11.780 -50.745 -6.096 1.00 11.52 C ATOM 789 OE1 GLU A 581 12.249 -49.843 -5.361 1.00 10.03 O ATOM 790 OE2 GLU A 581 12.409 -51.797 -6.348 1.00 73.04 O ATOM 0 H GLU A 581 9.679 -48.586 -8.956 1.00 61.03 H new ATOM 0 HA GLU A 581 7.828 -49.661 -6.961 1.00 63.22 H new ATOM 0 HB2 GLU A 581 10.581 -48.379 -6.804 1.00 71.44 H new ATOM 0 HB3 GLU A 581 9.700 -49.012 -5.428 1.00 71.44 H new ATOM 0 HG2 GLU A 581 9.718 -51.277 -6.428 1.00 72.30 H new ATOM 0 HG3 GLU A 581 10.533 -50.662 -7.852 1.00 72.30 H new ATOM 797 N ASP A 582 6.950 -47.519 -5.947 1.00 65.21 N ATOM 798 CA ASP A 582 6.446 -46.256 -5.401 1.00 14.11 C ATOM 799 C ASP A 582 7.489 -45.708 -4.491 1.00 12.04 C ATOM 800 O ASP A 582 7.819 -46.251 -3.434 1.00 10.14 O ATOM 801 CB ASP A 582 5.144 -46.387 -4.650 1.00 0.34 C ATOM 802 CG ASP A 582 4.575 -45.023 -4.187 1.00 65.53 C ATOM 803 OD1 ASP A 582 5.153 -43.955 -4.515 1.00 0.00 O ATOM 804 OD2 ASP A 582 3.544 -45.030 -3.478 1.00 24.11 O ATOM 0 H ASP A 582 6.470 -48.355 -5.612 1.00 65.21 H new ATOM 0 HA ASP A 582 6.239 -45.593 -6.241 1.00 14.11 H new ATOM 0 HB2 ASP A 582 4.412 -46.883 -5.287 1.00 0.34 H new ATOM 0 HB3 ASP A 582 5.295 -47.026 -3.780 1.00 0.34 H new ATOM 809 N ALA A 583 8.054 -44.645 -4.989 1.00 2.45 N ATOM 810 CA ALA A 583 9.191 -44.030 -4.401 1.00 23.54 C ATOM 811 C ALA A 583 8.776 -42.727 -3.754 1.00 32.55 C ATOM 812 O ALA A 583 8.396 -41.764 -4.429 1.00 71.30 O ATOM 813 CB ALA A 583 10.186 -43.822 -5.454 1.00 0.30 C ATOM 0 H ALA A 583 7.723 -44.178 -5.834 1.00 2.45 H new ATOM 0 HA ALA A 583 9.626 -44.658 -3.624 1.00 23.54 H new ATOM 0 HB1 ALA A 583 11.072 -43.350 -5.029 1.00 0.30 H new ATOM 0 HB2 ALA A 583 10.460 -44.783 -5.890 1.00 0.30 H new ATOM 0 HB3 ALA A 583 9.768 -43.178 -6.228 1.00 0.30 H new ATOM 819 N TYR A 584 8.830 -42.716 -2.436 1.00 42.34 N ATOM 820 CA TYR A 584 8.456 -41.552 -1.658 1.00 34.35 C ATOM 821 C TYR A 584 9.452 -41.321 -0.543 1.00 21.13 C ATOM 822 O TYR A 584 10.019 -42.261 0.011 1.00 63.34 O ATOM 823 CB TYR A 584 7.047 -41.734 -1.090 1.00 33.52 C ATOM 824 CG TYR A 584 6.785 -43.110 -0.512 1.00 10.40 C ATOM 825 CD1 TYR A 584 7.110 -43.429 0.823 1.00 43.12 C ATOM 826 CD2 TYR A 584 6.204 -44.108 -1.314 1.00 64.42 C ATOM 827 CE1 TYR A 584 6.863 -44.738 1.336 1.00 71.13 C ATOM 828 CE2 TYR A 584 5.956 -45.403 -0.816 1.00 61.42 C ATOM 829 CZ TYR A 584 6.292 -45.712 0.503 1.00 2.00 C ATOM 830 OH TYR A 584 6.061 -46.976 0.984 1.00 45.52 O ATOM 0 H TYR A 584 9.134 -43.512 -1.876 1.00 42.34 H new ATOM 0 HA TYR A 584 8.461 -40.677 -2.308 1.00 34.35 H new ATOM 0 HB2 TYR A 584 6.881 -40.988 -0.313 1.00 33.52 H new ATOM 0 HB3 TYR A 584 6.321 -41.539 -1.879 1.00 33.52 H new ATOM 0 HD1 TYR A 584 7.549 -42.677 1.462 1.00 43.12 H new ATOM 0 HD2 TYR A 584 5.942 -43.877 -2.336 1.00 64.42 H new ATOM 0 HE1 TYR A 584 7.114 -44.977 2.359 1.00 71.13 H new ATOM 0 HE2 TYR A 584 5.508 -46.152 -1.452 1.00 61.42 H new ATOM 0 HH TYR A 584 5.661 -47.526 0.279 1.00 45.52 H new ATOM 840 N GLY A 585 9.677 -40.061 -0.220 1.00 71.21 N ATOM 841 CA GLY A 585 10.600 -39.721 0.845 1.00 51.14 C ATOM 842 C GLY A 585 10.618 -38.226 1.007 1.00 65.25 C ATOM 843 O GLY A 585 9.824 -37.541 0.370 1.00 14.42 O ATOM 0 H GLY A 585 9.237 -39.262 -0.676 1.00 71.21 H new ATOM 0 HA2 GLY A 585 10.295 -40.199 1.776 1.00 51.14 H new ATOM 0 HA3 GLY A 585 11.599 -40.088 0.611 1.00 51.14 H new ATOM 847 N GLU A 586 11.523 -37.713 1.828 1.00 61.25 N ATOM 848 CA GLU A 586 11.666 -36.272 2.012 1.00 72.25 C ATOM 849 C GLU A 586 13.049 -35.821 1.604 1.00 41.34 C ATOM 850 O GLU A 586 14.037 -36.524 1.808 1.00 51.34 O ATOM 851 CB GLU A 586 11.413 -35.865 3.460 1.00 23.54 C ATOM 852 CG GLU A 586 9.940 -35.727 3.777 1.00 33.34 C ATOM 853 CD GLU A 586 9.652 -34.878 5.005 1.00 42.34 C ATOM 854 OE1 GLU A 586 10.343 -35.011 6.030 1.00 21.11 O ATOM 855 OE2 GLU A 586 8.698 -34.065 4.935 1.00 64.24 O ATOM 0 H GLU A 586 12.172 -38.274 2.380 1.00 61.25 H new ATOM 0 HA GLU A 586 10.921 -35.790 1.379 1.00 72.25 H new ATOM 0 HB2 GLU A 586 11.856 -36.607 4.125 1.00 23.54 H new ATOM 0 HB3 GLU A 586 11.914 -34.918 3.660 1.00 23.54 H new ATOM 0 HG2 GLU A 586 9.433 -35.289 2.917 1.00 33.34 H new ATOM 0 HG3 GLU A 586 9.516 -36.720 3.926 1.00 33.34 H new ATOM 862 N LEU A 587 13.101 -34.639 1.011 1.00 63.42 N ATOM 863 CA LEU A 587 14.341 -34.072 0.517 1.00 45.12 C ATOM 864 C LEU A 587 14.718 -32.861 1.335 1.00 14.21 C ATOM 865 O LEU A 587 13.986 -31.876 1.366 1.00 20.51 O ATOM 866 CB LEU A 587 14.154 -33.633 -0.935 1.00 11.22 C ATOM 867 CG LEU A 587 13.687 -34.724 -1.903 1.00 33.35 C ATOM 868 CD1 LEU A 587 13.169 -34.083 -3.152 1.00 10.21 C ATOM 869 CD2 LEU A 587 14.790 -35.706 -2.253 1.00 5.25 C ATOM 0 H LEU A 587 12.284 -34.048 0.860 1.00 63.42 H new ATOM 0 HA LEU A 587 15.125 -34.825 0.590 1.00 45.12 H new ATOM 0 HB2 LEU A 587 13.431 -32.818 -0.959 1.00 11.22 H new ATOM 0 HB3 LEU A 587 15.100 -33.231 -1.298 1.00 11.22 H new ATOM 0 HG LEU A 587 12.900 -35.291 -1.406 1.00 33.35 H new ATOM 0 HD11 LEU A 587 12.835 -34.855 -3.845 1.00 10.21 H new ATOM 0 HD12 LEU A 587 12.332 -33.430 -2.906 1.00 10.21 H new ATOM 0 HD13 LEU A 587 13.962 -33.497 -3.616 1.00 10.21 H new ATOM 0 HD21 LEU A 587 14.403 -36.457 -2.942 1.00 5.25 H new ATOM 0 HD22 LEU A 587 15.616 -35.173 -2.724 1.00 5.25 H new ATOM 0 HD23 LEU A 587 15.144 -36.194 -1.345 1.00 5.25 H new ATOM 881 N GLU A 588 15.865 -32.914 1.985 1.00 61.12 N ATOM 882 CA GLU A 588 16.358 -31.762 2.713 1.00 53.50 C ATOM 883 C GLU A 588 16.929 -30.785 1.696 1.00 43.14 C ATOM 884 O GLU A 588 17.754 -31.147 0.861 1.00 73.24 O ATOM 885 CB GLU A 588 17.440 -32.167 3.713 1.00 32.13 C ATOM 886 CG GLU A 588 17.813 -31.036 4.662 1.00 42.14 C ATOM 887 CD GLU A 588 18.976 -31.389 5.575 1.00 52.22 C ATOM 888 OE1 GLU A 588 19.732 -32.333 5.257 1.00 44.40 O ATOM 889 OE2 GLU A 588 19.218 -30.630 6.531 1.00 44.42 O ATOM 0 H GLU A 588 16.468 -33.736 2.024 1.00 61.12 H new ATOM 0 HA GLU A 588 15.545 -31.305 3.278 1.00 53.50 H new ATOM 0 HB2 GLU A 588 17.092 -33.023 4.292 1.00 32.13 H new ATOM 0 HB3 GLU A 588 18.329 -32.489 3.170 1.00 32.13 H new ATOM 0 HG2 GLU A 588 18.070 -30.151 4.081 1.00 42.14 H new ATOM 0 HG3 GLU A 588 16.946 -30.778 5.270 1.00 42.14 H new ATOM 896 N PHE A 589 16.470 -29.553 1.771 1.00 22.30 N ATOM 897 CA PHE A 589 16.918 -28.472 0.907 1.00 63.40 C ATOM 898 C PHE A 589 17.526 -27.396 1.790 1.00 63.43 C ATOM 899 O PHE A 589 16.826 -26.769 2.570 1.00 62.51 O ATOM 900 CB PHE A 589 15.709 -27.872 0.190 1.00 41.33 C ATOM 901 CG PHE A 589 15.561 -28.315 -1.230 1.00 51.32 C ATOM 902 CD1 PHE A 589 16.359 -27.745 -2.238 1.00 31.31 C ATOM 903 CD2 PHE A 589 14.597 -29.279 -1.581 1.00 33.15 C ATOM 904 CE1 PHE A 589 16.181 -28.115 -3.591 1.00 5.10 C ATOM 905 CE2 PHE A 589 14.414 -29.654 -2.932 1.00 30.41 C ATOM 906 CZ PHE A 589 15.207 -29.057 -3.936 1.00 51.14 C ATOM 0 H PHE A 589 15.761 -29.266 2.446 1.00 22.30 H new ATOM 0 HA PHE A 589 17.639 -28.841 0.178 1.00 63.40 H new ATOM 0 HB2 PHE A 589 14.806 -28.138 0.739 1.00 41.33 H new ATOM 0 HB3 PHE A 589 15.788 -26.785 0.214 1.00 41.33 H new ATOM 0 HD1 PHE A 589 17.114 -27.019 -1.976 1.00 31.31 H new ATOM 0 HD2 PHE A 589 13.992 -29.736 -0.812 1.00 33.15 H new ATOM 0 HE1 PHE A 589 16.797 -27.670 -4.358 1.00 5.10 H new ATOM 0 HE2 PHE A 589 13.672 -30.393 -3.194 1.00 30.41 H new ATOM 0 HZ PHE A 589 15.061 -29.328 -4.971 1.00 51.14 H new ATOM 916 N LYS A 590 18.809 -27.128 1.628 1.00 75.11 N ATOM 917 CA LYS A 590 19.467 -26.054 2.368 1.00 14.32 C ATOM 918 C LYS A 590 19.710 -24.908 1.406 1.00 62.42 C ATOM 919 O LYS A 590 19.382 -24.992 0.225 1.00 65.11 O ATOM 920 CB LYS A 590 20.791 -26.530 2.976 1.00 55.10 C ATOM 921 CG LYS A 590 20.652 -27.741 3.886 1.00 51.42 C ATOM 922 CD LYS A 590 22.005 -28.109 4.487 1.00 50.14 C ATOM 923 CE LYS A 590 21.953 -29.455 5.196 1.00 62.02 C ATOM 924 NZ LYS A 590 21.718 -30.576 4.223 1.00 72.15 N ATOM 0 H LYS A 590 19.421 -27.637 0.991 1.00 75.11 H new ATOM 0 HA LYS A 590 18.831 -25.733 3.193 1.00 14.32 H new ATOM 0 HB2 LYS A 590 21.484 -26.771 2.170 1.00 55.10 H new ATOM 0 HB3 LYS A 590 21.234 -25.711 3.543 1.00 55.10 H new ATOM 0 HG2 LYS A 590 19.939 -27.526 4.682 1.00 51.42 H new ATOM 0 HG3 LYS A 590 20.255 -28.585 3.322 1.00 51.42 H new ATOM 0 HD2 LYS A 590 22.758 -28.140 3.699 1.00 50.14 H new ATOM 0 HD3 LYS A 590 22.313 -27.337 5.192 1.00 50.14 H new ATOM 0 HE2 LYS A 590 22.888 -29.624 5.729 1.00 62.02 H new ATOM 0 HE3 LYS A 590 21.158 -29.445 5.942 1.00 62.02 H new ATOM 0 HZ1 LYS A 590 21.855 -31.488 4.704 1.00 72.15 H new ATOM 0 HZ2 LYS A 590 20.746 -30.520 3.857 1.00 72.15 H new ATOM 0 HZ3 LYS A 590 22.390 -30.497 3.433 1.00 72.15 H new ATOM 938 N ASN A 591 20.311 -23.854 1.922 1.00 23.03 N ATOM 939 CA ASN A 591 20.609 -22.645 1.162 1.00 2.40 C ATOM 940 C ASN A 591 21.267 -22.866 -0.210 1.00 71.22 C ATOM 941 O ASN A 591 20.744 -22.402 -1.205 1.00 1.45 O ATOM 942 CB ASN A 591 21.526 -21.774 2.019 1.00 41.31 C ATOM 943 CG ASN A 591 21.471 -20.321 1.668 1.00 3.24 C ATOM 944 OD1 ASN A 591 20.852 -20.014 0.600 1.00 44.45 O flip ATOM 945 ND2 ASN A 591 21.892 -19.476 2.437 1.00 50.22 N flip ATOM 0 H ASN A 591 20.613 -23.808 2.895 1.00 23.03 H new ATOM 0 HA ASN A 591 19.650 -22.177 0.941 1.00 2.40 H new ATOM 0 HB2 ASN A 591 21.254 -21.897 3.067 1.00 41.31 H new ATOM 0 HB3 ASN A 591 22.552 -22.126 1.912 1.00 41.31 H new ATOM 0 HD21 ASN A 591 22.384 -19.758 3.285 1.00 50.22 H new ATOM 0 HD22 ASN A 591 21.752 -18.486 2.233 1.00 50.22 H new ATOM 952 N ASP A 592 22.442 -23.483 -0.240 1.00 34.32 N ATOM 953 CA ASP A 592 23.193 -23.712 -1.490 1.00 62.54 C ATOM 954 C ASP A 592 22.693 -24.949 -2.242 1.00 3.54 C ATOM 955 O ASP A 592 22.805 -25.073 -3.457 1.00 35.21 O ATOM 956 CB ASP A 592 24.669 -23.889 -1.143 1.00 73.31 C ATOM 957 CG ASP A 592 25.208 -22.722 -0.347 1.00 72.14 C ATOM 958 OD1 ASP A 592 25.093 -22.765 0.899 1.00 24.42 O ATOM 959 OD2 ASP A 592 25.645 -21.726 -0.957 1.00 2.03 O ATOM 0 H ASP A 592 22.909 -23.842 0.593 1.00 34.32 H new ATOM 0 HA ASP A 592 23.046 -22.852 -2.143 1.00 62.54 H new ATOM 0 HB2 ASP A 592 24.799 -24.808 -0.572 1.00 73.31 H new ATOM 0 HB3 ASP A 592 25.246 -23.999 -2.061 1.00 73.31 H new ATOM 964 N GLU A 593 22.122 -25.848 -1.455 1.00 64.33 N ATOM 965 CA GLU A 593 21.572 -27.167 -1.877 1.00 33.10 C ATOM 966 C GLU A 593 20.395 -27.178 -2.841 1.00 62.10 C ATOM 967 O GLU A 593 19.611 -28.120 -2.873 1.00 41.10 O ATOM 968 CB GLU A 593 21.300 -28.071 -0.679 1.00 41.42 C ATOM 969 CG GLU A 593 22.556 -28.486 0.065 1.00 22.52 C ATOM 970 CD GLU A 593 22.266 -29.548 1.115 1.00 42.20 C ATOM 971 OE1 GLU A 593 21.097 -29.986 1.216 1.00 3.25 O ATOM 972 OE2 GLU A 593 23.189 -29.936 1.854 1.00 71.21 O ATOM 0 H GLU A 593 22.015 -25.689 -0.453 1.00 64.33 H new ATOM 0 HA GLU A 593 22.385 -27.565 -2.484 1.00 33.10 H new ATOM 0 HB2 GLU A 593 20.632 -27.555 0.011 1.00 41.42 H new ATOM 0 HB3 GLU A 593 20.777 -28.965 -1.020 1.00 41.42 H new ATOM 0 HG2 GLU A 593 23.290 -28.868 -0.645 1.00 22.52 H new ATOM 0 HG3 GLU A 593 23.000 -27.613 0.544 1.00 22.52 H new ATOM 979 N THR A 594 20.176 -26.065 -3.508 1.00 63.14 N ATOM 980 CA THR A 594 18.973 -25.811 -4.278 1.00 11.22 C ATOM 981 C THR A 594 18.882 -26.608 -5.566 1.00 14.25 C ATOM 982 O THR A 594 17.979 -26.391 -6.379 1.00 72.44 O ATOM 983 CB THR A 594 19.025 -24.373 -4.746 1.00 51.22 C ATOM 984 OG1 THR A 594 20.062 -24.209 -5.719 1.00 34.32 O ATOM 985 CG2 THR A 594 19.351 -23.467 -3.614 1.00 74.34 C ATOM 0 H THR A 594 20.843 -25.294 -3.532 1.00 63.14 H new ATOM 0 HA THR A 594 18.139 -26.071 -3.627 1.00 11.22 H new ATOM 0 HB THR A 594 18.049 -24.130 -5.166 1.00 51.22 H new ATOM 0 HG1 THR A 594 20.086 -23.276 -6.017 1.00 34.32 H new ATOM 0 HG21 THR A 594 19.384 -22.437 -3.970 1.00 74.34 H new ATOM 0 HG22 THR A 594 18.587 -23.560 -2.842 1.00 74.34 H new ATOM 0 HG23 THR A 594 20.321 -23.738 -3.199 1.00 74.34 H new ATOM 993 N VAL A 595 19.760 -27.590 -5.690 1.00 51.22 N ATOM 994 CA VAL A 595 19.680 -28.576 -6.757 1.00 1.04 C ATOM 995 C VAL A 595 19.574 -29.899 -6.030 1.00 33.22 C ATOM 996 O VAL A 595 20.420 -30.228 -5.194 1.00 12.44 O ATOM 997 CB VAL A 595 20.937 -28.569 -7.668 1.00 71.03 C ATOM 998 CG1 VAL A 595 20.570 -29.064 -9.073 1.00 54.01 C ATOM 999 CG2 VAL A 595 21.556 -27.154 -7.740 1.00 53.45 C ATOM 0 H VAL A 595 20.547 -27.727 -5.056 1.00 51.22 H new ATOM 0 HA VAL A 595 18.839 -28.373 -7.420 1.00 1.04 H new ATOM 0 HB VAL A 595 21.679 -29.242 -7.238 1.00 71.03 H new ATOM 0 HG11 VAL A 595 21.458 -29.056 -9.705 1.00 54.01 H new ATOM 0 HG12 VAL A 595 20.179 -30.079 -9.010 1.00 54.01 H new ATOM 0 HG13 VAL A 595 19.812 -28.409 -9.503 1.00 54.01 H new ATOM 0 HG21 VAL A 595 22.435 -27.174 -8.384 1.00 53.45 H new ATOM 0 HG22 VAL A 595 20.824 -26.457 -8.147 1.00 53.45 H new ATOM 0 HG23 VAL A 595 21.846 -26.832 -6.740 1.00 53.45 H new ATOM 1009 N LYS A 596 18.500 -30.625 -6.285 1.00 74.41 N ATOM 1010 CA LYS A 596 18.248 -31.883 -5.596 1.00 30.01 C ATOM 1011 C LYS A 596 17.610 -32.812 -6.588 1.00 73.01 C ATOM 1012 O LYS A 596 17.281 -32.378 -7.679 1.00 4.20 O ATOM 1013 CB LYS A 596 17.330 -31.632 -4.398 1.00 32.21 C ATOM 1014 CG LYS A 596 17.352 -32.708 -3.316 1.00 71.42 C ATOM 1015 CD LYS A 596 18.729 -32.904 -2.684 1.00 64.01 C ATOM 1016 CE LYS A 596 19.171 -31.635 -1.943 1.00 50.23 C ATOM 1017 NZ LYS A 596 20.063 -31.903 -0.761 1.00 41.13 N ATOM 0 H LYS A 596 17.785 -30.366 -6.965 1.00 74.41 H new ATOM 0 HA LYS A 596 19.169 -32.325 -5.217 1.00 30.01 H new ATOM 0 HB2 LYS A 596 17.606 -30.680 -3.945 1.00 32.21 H new ATOM 0 HB3 LYS A 596 16.308 -31.528 -4.761 1.00 32.21 H new ATOM 0 HG2 LYS A 596 16.637 -32.444 -2.537 1.00 71.42 H new ATOM 0 HG3 LYS A 596 17.020 -33.653 -3.747 1.00 71.42 H new ATOM 0 HD2 LYS A 596 18.700 -33.745 -1.991 1.00 64.01 H new ATOM 0 HD3 LYS A 596 19.457 -33.153 -3.456 1.00 64.01 H new ATOM 0 HE2 LYS A 596 19.694 -30.981 -2.641 1.00 50.23 H new ATOM 0 HE3 LYS A 596 18.286 -31.096 -1.604 1.00 50.23 H new ATOM 0 HZ1 LYS A 596 20.266 -31.009 -0.270 1.00 41.13 H new ATOM 0 HZ2 LYS A 596 19.586 -32.556 -0.107 1.00 41.13 H new ATOM 0 HZ3 LYS A 596 20.954 -32.329 -1.088 1.00 41.13 H new ATOM 1031 N THR A 597 17.443 -34.073 -6.238 1.00 52.13 N ATOM 1032 CA THR A 597 16.910 -35.039 -7.166 1.00 21.43 C ATOM 1033 C THR A 597 16.008 -36.059 -6.485 1.00 43.23 C ATOM 1034 O THR A 597 16.120 -36.287 -5.281 1.00 20.12 O ATOM 1035 CB THR A 597 18.079 -35.776 -7.787 1.00 71.13 C ATOM 1036 OG1 THR A 597 19.288 -35.396 -7.120 1.00 32.24 O ATOM 1037 CG2 THR A 597 18.241 -35.453 -9.276 1.00 13.32 C ATOM 0 H THR A 597 17.670 -34.448 -5.317 1.00 52.13 H new ATOM 0 HA THR A 597 16.312 -34.509 -7.908 1.00 21.43 H new ATOM 0 HB THR A 597 17.881 -36.843 -7.680 1.00 71.13 H new ATOM 0 HG1 THR A 597 20.045 -35.873 -7.519 1.00 32.24 H new ATOM 0 HG21 THR A 597 19.091 -36.004 -9.677 1.00 13.32 H new ATOM 0 HG22 THR A 597 17.336 -35.741 -9.811 1.00 13.32 H new ATOM 0 HG23 THR A 597 18.411 -34.383 -9.400 1.00 13.32 H new ATOM 1045 N ILE A 598 15.130 -36.671 -7.269 1.00 12.15 N ATOM 1046 CA ILE A 598 14.236 -37.737 -6.795 1.00 43.22 C ATOM 1047 C ILE A 598 14.486 -38.944 -7.649 1.00 54.11 C ATOM 1048 O ILE A 598 14.416 -38.849 -8.856 1.00 31.14 O ATOM 1049 CB ILE A 598 12.741 -37.365 -6.942 1.00 62.12 C ATOM 1050 CG1 ILE A 598 12.414 -36.280 -5.921 1.00 25.52 C ATOM 1051 CG2 ILE A 598 11.837 -38.625 -6.754 1.00 30.11 C ATOM 1052 CD1 ILE A 598 11.079 -35.610 -6.082 1.00 54.24 C ATOM 0 H ILE A 598 15.012 -36.446 -8.257 1.00 12.15 H new ATOM 0 HA ILE A 598 14.441 -37.909 -5.738 1.00 43.22 H new ATOM 0 HB ILE A 598 12.545 -36.985 -7.945 1.00 62.12 H new ATOM 0 HG12 ILE A 598 12.461 -36.720 -4.925 1.00 25.52 H new ATOM 0 HG13 ILE A 598 13.190 -35.517 -5.969 1.00 25.52 H new ATOM 0 HG21 ILE A 598 10.790 -38.341 -6.861 1.00 30.11 H new ATOM 0 HG22 ILE A 598 12.090 -39.370 -7.508 1.00 30.11 H new ATOM 0 HG23 ILE A 598 11.999 -39.044 -5.761 1.00 30.11 H new ATOM 0 HD11 ILE A 598 10.953 -34.858 -5.303 1.00 54.24 H new ATOM 0 HD12 ILE A 598 11.027 -35.132 -7.060 1.00 54.24 H new ATOM 0 HD13 ILE A 598 10.286 -36.354 -5.999 1.00 54.24 H new ATOM 1064 N ARG A 599 14.753 -40.071 -7.005 1.00 54.44 N ATOM 1065 CA ARG A 599 15.014 -41.336 -7.695 1.00 32.53 C ATOM 1066 C ARG A 599 13.852 -42.297 -7.559 1.00 54.40 C ATOM 1067 O ARG A 599 13.330 -42.481 -6.465 1.00 30.34 O ATOM 1068 CB ARG A 599 16.268 -42.004 -7.125 1.00 12.43 C ATOM 1069 CG ARG A 599 17.539 -41.391 -7.656 1.00 52.14 C ATOM 1070 CD ARG A 599 18.780 -42.159 -7.260 1.00 22.04 C ATOM 1071 NE ARG A 599 19.021 -42.131 -5.810 1.00 60.40 N ATOM 1072 CZ ARG A 599 20.032 -42.734 -5.197 1.00 4.15 C ATOM 1073 NH1 ARG A 599 20.939 -43.420 -5.852 1.00 44.43 N ATOM 1074 NH2 ARG A 599 20.133 -42.647 -3.898 1.00 41.23 N ATOM 0 H ARG A 599 14.796 -40.139 -5.988 1.00 54.44 H new ATOM 0 HA ARG A 599 15.157 -41.102 -8.750 1.00 32.53 H new ATOM 0 HB2 ARG A 599 16.256 -41.924 -6.038 1.00 12.43 H new ATOM 0 HB3 ARG A 599 16.252 -43.067 -7.367 1.00 12.43 H new ATOM 0 HG2 ARG A 599 17.483 -41.339 -8.743 1.00 52.14 H new ATOM 0 HG3 ARG A 599 17.621 -40.367 -7.291 1.00 52.14 H new ATOM 0 HD2 ARG A 599 18.683 -43.194 -7.589 1.00 22.04 H new ATOM 0 HD3 ARG A 599 19.643 -41.739 -7.777 1.00 22.04 H new ATOM 0 HE ARG A 599 18.362 -41.609 -5.232 1.00 60.40 H new ATOM 0 HH11 ARG A 599 20.881 -43.503 -6.867 1.00 44.43 H new ATOM 0 HH12 ARG A 599 21.702 -43.870 -5.346 1.00 44.43 H new ATOM 0 HH21 ARG A 599 19.440 -42.120 -3.367 1.00 41.23 H new ATOM 0 HH22 ARG A 599 20.905 -43.106 -3.415 1.00 41.23 H new ATOM 1088 N VAL A 600 13.483 -42.922 -8.669 1.00 53.13 N ATOM 1089 CA VAL A 600 12.404 -43.922 -8.701 1.00 51.35 C ATOM 1090 C VAL A 600 12.905 -45.126 -9.499 1.00 44.41 C ATOM 1091 O VAL A 600 13.374 -44.962 -10.624 1.00 42.42 O ATOM 1092 CB VAL A 600 11.123 -43.342 -9.379 1.00 51.51 C ATOM 1093 CG1 VAL A 600 10.003 -44.340 -9.392 1.00 54.14 C ATOM 1094 CG2 VAL A 600 10.701 -42.032 -8.702 1.00 52.41 C ATOM 0 H VAL A 600 13.918 -42.756 -9.577 1.00 53.13 H new ATOM 0 HA VAL A 600 12.142 -44.209 -7.683 1.00 51.35 H new ATOM 0 HB VAL A 600 11.364 -43.123 -10.419 1.00 51.51 H new ATOM 0 HG11 VAL A 600 9.129 -43.900 -9.872 1.00 54.14 H new ATOM 0 HG12 VAL A 600 10.312 -45.227 -9.945 1.00 54.14 H new ATOM 0 HG13 VAL A 600 9.753 -44.620 -8.369 1.00 54.14 H new ATOM 0 HG21 VAL A 600 9.806 -41.643 -9.188 1.00 52.41 H new ATOM 0 HG22 VAL A 600 10.490 -42.218 -7.649 1.00 52.41 H new ATOM 0 HG23 VAL A 600 11.507 -41.303 -8.787 1.00 52.41 H new ATOM 1104 N LYS A 601 12.863 -46.316 -8.914 1.00 60.21 N ATOM 1105 CA LYS A 601 13.369 -47.523 -9.586 1.00 34.44 C ATOM 1106 C LYS A 601 12.315 -48.032 -10.565 1.00 30.42 C ATOM 1107 O LYS A 601 11.160 -48.184 -10.185 1.00 64.43 O ATOM 1108 CB LYS A 601 13.701 -48.605 -8.538 1.00 2.12 C ATOM 1109 CG LYS A 601 14.644 -49.718 -9.036 1.00 34.03 C ATOM 1110 CD LYS A 601 13.903 -50.918 -9.629 1.00 34.43 C ATOM 1111 CE LYS A 601 14.890 -51.897 -10.284 1.00 13.11 C ATOM 1112 NZ LYS A 601 14.189 -52.892 -11.166 1.00 33.54 N ATOM 0 H LYS A 601 12.487 -46.479 -7.980 1.00 60.21 H new ATOM 0 HA LYS A 601 14.280 -47.285 -10.136 1.00 34.44 H new ATOM 0 HB2 LYS A 601 14.155 -48.124 -7.671 1.00 2.12 H new ATOM 0 HB3 LYS A 601 12.771 -49.061 -8.199 1.00 2.12 H new ATOM 0 HG2 LYS A 601 15.315 -49.306 -9.789 1.00 34.03 H new ATOM 0 HG3 LYS A 601 15.265 -50.057 -8.207 1.00 34.03 H new ATOM 0 HD2 LYS A 601 13.342 -51.429 -8.846 1.00 34.43 H new ATOM 0 HD3 LYS A 601 13.179 -50.575 -10.368 1.00 34.43 H new ATOM 0 HE2 LYS A 601 15.618 -51.339 -10.873 1.00 13.11 H new ATOM 0 HE3 LYS A 601 15.445 -52.426 -9.509 1.00 13.11 H new ATOM 0 HZ1 LYS A 601 14.855 -53.643 -11.439 1.00 33.54 H new ATOM 0 HZ2 LYS A 601 13.389 -53.310 -10.650 1.00 33.54 H new ATOM 0 HZ3 LYS A 601 13.838 -52.413 -12.020 1.00 33.54 H new ATOM 1126 N ILE A 602 12.707 -48.294 -11.804 1.00 65.33 N ATOM 1127 CA ILE A 602 11.785 -48.818 -12.819 1.00 2.22 C ATOM 1128 C ILE A 602 11.974 -50.330 -12.824 1.00 2.31 C ATOM 1129 O ILE A 602 13.105 -50.815 -12.846 1.00 74.35 O ATOM 1130 CB ILE A 602 12.050 -48.224 -14.243 1.00 0.03 C ATOM 1131 CG1 ILE A 602 12.243 -46.684 -14.166 1.00 54.02 C ATOM 1132 CG2 ILE A 602 10.875 -48.600 -15.192 1.00 54.22 C ATOM 1133 CD1 ILE A 602 11.054 -45.898 -13.606 1.00 24.03 C ATOM 0 H ILE A 602 13.661 -48.154 -12.138 1.00 65.33 H new ATOM 0 HA ILE A 602 10.762 -48.534 -12.573 1.00 2.22 H new ATOM 0 HB ILE A 602 12.970 -48.649 -14.645 1.00 0.03 H new ATOM 0 HG12 ILE A 602 13.117 -46.475 -13.549 1.00 54.02 H new ATOM 0 HG13 ILE A 602 12.463 -46.312 -15.167 1.00 54.02 H new ATOM 0 HG21 ILE A 602 11.061 -48.186 -16.183 1.00 54.22 H new ATOM 0 HG22 ILE A 602 10.796 -49.685 -15.261 1.00 54.22 H new ATOM 0 HG23 ILE A 602 9.944 -48.193 -14.797 1.00 54.22 H new ATOM 0 HD11 ILE A 602 11.293 -44.835 -13.596 1.00 24.03 H new ATOM 0 HD12 ILE A 602 10.178 -46.067 -14.233 1.00 24.03 H new ATOM 0 HD13 ILE A 602 10.843 -46.232 -12.590 1.00 24.03 H new ATOM 1145 N VAL A 603 10.885 -51.063 -12.683 1.00 1.31 N ATOM 1146 CA VAL A 603 10.933 -52.512 -12.502 1.00 21.05 C ATOM 1147 C VAL A 603 10.989 -53.201 -13.873 1.00 1.11 C ATOM 1148 O VAL A 603 10.499 -52.681 -14.867 1.00 3.53 O ATOM 1149 CB VAL A 603 9.746 -52.967 -11.605 1.00 60.01 C ATOM 1150 CG1 VAL A 603 9.707 -54.481 -11.412 1.00 23.11 C ATOM 1151 CG2 VAL A 603 9.876 -52.307 -10.205 1.00 32.34 C ATOM 0 H VAL A 603 9.941 -50.677 -12.690 1.00 1.31 H new ATOM 0 HA VAL A 603 11.840 -52.811 -11.976 1.00 21.05 H new ATOM 0 HB VAL A 603 8.829 -52.661 -12.109 1.00 60.01 H new ATOM 0 HG11 VAL A 603 8.860 -54.745 -10.779 1.00 23.11 H new ATOM 0 HG12 VAL A 603 9.602 -54.969 -12.381 1.00 23.11 H new ATOM 0 HG13 VAL A 603 10.631 -54.811 -10.938 1.00 23.11 H new ATOM 0 HG21 VAL A 603 9.045 -52.624 -9.575 1.00 32.34 H new ATOM 0 HG22 VAL A 603 10.817 -52.611 -9.746 1.00 32.34 H new ATOM 0 HG23 VAL A 603 9.857 -51.222 -10.311 1.00 32.34 H new ATOM 1295 N GLU A 612 3.392 -47.318 -20.353 1.00 43.33 N ATOM 1296 CA GLU A 612 2.889 -46.977 -19.041 1.00 73.44 C ATOM 1297 C GLU A 612 3.431 -45.619 -18.637 1.00 24.14 C ATOM 1298 O GLU A 612 4.449 -45.151 -19.155 1.00 51.01 O ATOM 1299 CB GLU A 612 3.227 -48.082 -18.039 1.00 12.33 C ATOM 1300 CG GLU A 612 2.729 -49.474 -18.493 1.00 62.34 C ATOM 1301 CD GLU A 612 1.371 -49.433 -19.223 1.00 71.44 C ATOM 1302 OE1 GLU A 612 0.377 -48.907 -18.662 1.00 11.53 O ATOM 1303 OE2 GLU A 612 1.320 -49.898 -20.400 1.00 34.12 O ATOM 0 HA GLU A 612 1.802 -46.903 -19.058 1.00 73.44 H new ATOM 0 HB2 GLU A 612 4.307 -48.117 -17.894 1.00 12.33 H new ATOM 0 HB3 GLU A 612 2.783 -47.839 -17.074 1.00 12.33 H new ATOM 0 HG2 GLU A 612 3.474 -49.920 -19.152 1.00 62.34 H new ATOM 0 HG3 GLU A 612 2.645 -50.123 -17.621 1.00 62.34 H new ATOM 1310 N ASN A 613 2.674 -44.943 -17.797 1.00 4.53 N ATOM 1311 CA ASN A 613 2.915 -43.548 -17.463 1.00 71.43 C ATOM 1312 C ASN A 613 2.634 -43.276 -16.005 1.00 1.44 C ATOM 1313 O ASN A 613 1.584 -43.661 -15.472 1.00 43.33 O ATOM 1314 CB ASN A 613 1.998 -42.660 -18.298 1.00 55.32 C ATOM 1315 CG ASN A 613 2.238 -41.190 -18.058 1.00 54.21 C ATOM 1316 OD1 ASN A 613 3.055 -40.572 -18.692 1.00 23.41 O ATOM 1317 ND2 ASN A 613 1.507 -40.629 -17.150 1.00 3.35 N ATOM 0 H ASN A 613 1.867 -45.347 -17.321 1.00 4.53 H new ATOM 0 HA ASN A 613 3.963 -43.332 -17.671 1.00 71.43 H new ATOM 0 HB2 ASN A 613 2.148 -42.881 -19.355 1.00 55.32 H new ATOM 0 HB3 ASN A 613 0.960 -42.897 -18.067 1.00 55.32 H new ATOM 0 HD21 ASN A 613 1.613 -39.634 -16.953 1.00 3.35 H new ATOM 0 HD22 ASN A 613 0.824 -41.182 -16.631 1.00 3.35 H new ATOM 1324 N PHE A 614 3.534 -42.545 -15.376 1.00 15.04 N ATOM 1325 CA PHE A 614 3.363 -42.154 -13.990 1.00 42.24 C ATOM 1326 C PHE A 614 3.954 -40.776 -13.814 1.00 23.41 C ATOM 1327 O PHE A 614 4.635 -40.282 -14.695 1.00 11.42 O ATOM 1328 CB PHE A 614 4.053 -43.161 -13.073 1.00 40.44 C ATOM 1329 CG PHE A 614 5.553 -43.040 -13.041 1.00 52.24 C ATOM 1330 CD1 PHE A 614 6.356 -43.758 -13.946 1.00 41.54 C ATOM 1331 CD2 PHE A 614 6.174 -42.223 -12.079 1.00 11.22 C ATOM 1332 CE1 PHE A 614 7.767 -43.668 -13.880 1.00 51.22 C ATOM 1333 CE2 PHE A 614 7.577 -42.125 -12.003 1.00 13.22 C ATOM 1334 CZ PHE A 614 8.370 -42.853 -12.900 1.00 63.32 C ATOM 0 H PHE A 614 4.396 -42.208 -15.806 1.00 15.04 H new ATOM 0 HA PHE A 614 2.305 -42.136 -13.728 1.00 42.24 H new ATOM 0 HB2 PHE A 614 3.668 -43.037 -12.061 1.00 40.44 H new ATOM 0 HB3 PHE A 614 3.788 -44.168 -13.394 1.00 40.44 H new ATOM 0 HD1 PHE A 614 5.893 -44.382 -14.696 1.00 41.54 H new ATOM 0 HD2 PHE A 614 5.564 -41.661 -11.387 1.00 11.22 H new ATOM 0 HE1 PHE A 614 8.379 -44.221 -14.577 1.00 51.22 H new ATOM 0 HE2 PHE A 614 8.038 -41.493 -11.259 1.00 13.22 H new ATOM 0 HZ PHE A 614 9.447 -42.790 -12.841 1.00 63.32 H new ATOM 1344 N PHE A 615 3.711 -40.158 -12.678 1.00 32.43 N ATOM 1345 CA PHE A 615 4.283 -38.858 -12.381 1.00 35.25 C ATOM 1346 C PHE A 615 4.728 -38.859 -10.935 1.00 62.22 C ATOM 1347 O PHE A 615 4.372 -39.745 -10.192 1.00 12.45 O ATOM 1348 CB PHE A 615 3.285 -37.710 -12.626 1.00 45.25 C ATOM 1349 CG PHE A 615 1.858 -38.148 -12.875 1.00 62.14 C ATOM 1350 CD1 PHE A 615 1.480 -38.727 -14.102 1.00 75.14 C ATOM 1351 CD2 PHE A 615 0.869 -37.932 -11.895 1.00 3.23 C ATOM 1352 CE1 PHE A 615 0.143 -39.120 -14.338 1.00 55.03 C ATOM 1353 CE2 PHE A 615 -0.476 -38.320 -12.127 1.00 24.43 C ATOM 1354 CZ PHE A 615 -0.834 -38.920 -13.347 1.00 73.24 C ATOM 0 H PHE A 615 3.118 -40.536 -11.939 1.00 32.43 H new ATOM 0 HA PHE A 615 5.127 -38.687 -13.049 1.00 35.25 H new ATOM 0 HB2 PHE A 615 3.300 -37.045 -11.763 1.00 45.25 H new ATOM 0 HB3 PHE A 615 3.626 -37.128 -13.483 1.00 45.25 H new ATOM 0 HD1 PHE A 615 2.222 -38.873 -14.873 1.00 75.14 H new ATOM 0 HD2 PHE A 615 1.137 -37.467 -10.958 1.00 3.23 H new ATOM 0 HE1 PHE A 615 -0.128 -39.574 -15.280 1.00 55.03 H new ATOM 0 HE2 PHE A 615 -1.225 -38.154 -11.366 1.00 24.43 H new ATOM 0 HZ PHE A 615 -1.855 -39.226 -13.522 1.00 73.24 H new ATOM 1364 N ILE A 616 5.498 -37.868 -10.521 1.00 73.13 N ATOM 1365 CA ILE A 616 5.905 -37.756 -9.127 1.00 22.30 C ATOM 1366 C ILE A 616 5.507 -36.362 -8.754 1.00 42.34 C ATOM 1367 O ILE A 616 5.909 -35.429 -9.421 1.00 40.33 O ATOM 1368 CB ILE A 616 7.448 -37.874 -8.957 1.00 60.21 C ATOM 1369 CG1 ILE A 616 8.018 -39.067 -9.747 1.00 14.25 C ATOM 1370 CG2 ILE A 616 7.826 -37.997 -7.465 1.00 11.11 C ATOM 1371 CD1 ILE A 616 9.506 -38.962 -9.943 1.00 14.31 C ATOM 0 H ILE A 616 5.855 -37.129 -11.127 1.00 73.13 H new ATOM 0 HA ILE A 616 5.454 -38.543 -8.522 1.00 22.30 H new ATOM 0 HB ILE A 616 7.889 -36.962 -9.360 1.00 60.21 H new ATOM 0 HG12 ILE A 616 7.787 -39.993 -9.220 1.00 14.25 H new ATOM 0 HG13 ILE A 616 7.529 -39.124 -10.719 1.00 14.25 H new ATOM 0 HG21 ILE A 616 8.909 -38.078 -7.369 1.00 11.11 H new ATOM 0 HG22 ILE A 616 7.480 -37.114 -6.928 1.00 11.11 H new ATOM 0 HG23 ILE A 616 7.357 -38.886 -7.043 1.00 11.11 H new ATOM 0 HD11 ILE A 616 9.861 -39.826 -10.505 1.00 14.31 H new ATOM 0 HD12 ILE A 616 9.737 -38.051 -10.494 1.00 14.31 H new ATOM 0 HD13 ILE A 616 10.000 -38.933 -8.972 1.00 14.31 H new ATOM 1383 N ALA A 617 4.697 -36.215 -7.725 1.00 61.41 N ATOM 1384 CA ALA A 617 4.239 -34.900 -7.286 1.00 63.01 C ATOM 1385 C ALA A 617 4.823 -34.679 -5.902 1.00 11.25 C ATOM 1386 O ALA A 617 5.060 -35.631 -5.148 1.00 60.31 O ATOM 1387 CB ALA A 617 2.703 -34.854 -7.251 1.00 33.14 C ATOM 0 H ALA A 617 4.337 -36.992 -7.170 1.00 61.41 H new ATOM 0 HA ALA A 617 4.564 -34.117 -7.971 1.00 63.01 H new ATOM 0 HB1 ALA A 617 2.376 -33.868 -6.922 1.00 33.14 H new ATOM 0 HB2 ALA A 617 2.310 -35.053 -8.248 1.00 33.14 H new ATOM 0 HB3 ALA A 617 2.332 -35.609 -6.558 1.00 33.14 H new ATOM 1393 N LEU A 618 5.064 -33.424 -5.577 1.00 64.55 N ATOM 1394 CA LEU A 618 5.612 -33.059 -4.282 1.00 30.24 C ATOM 1395 C LEU A 618 4.475 -32.882 -3.292 1.00 35.43 C ATOM 1396 O LEU A 618 3.375 -32.492 -3.667 1.00 23.51 O ATOM 1397 CB LEU A 618 6.419 -31.768 -4.412 1.00 73.15 C ATOM 1398 CG LEU A 618 7.615 -31.884 -5.376 1.00 74.41 C ATOM 1399 CD1 LEU A 618 8.174 -30.518 -5.663 1.00 40.25 C ATOM 1400 CD2 LEU A 618 8.693 -32.794 -4.814 1.00 0.34 C ATOM 0 H LEU A 618 4.888 -32.633 -6.196 1.00 64.55 H new ATOM 0 HA LEU A 618 6.275 -33.846 -3.923 1.00 30.24 H new ATOM 0 HB2 LEU A 618 5.761 -30.971 -4.757 1.00 73.15 H new ATOM 0 HB3 LEU A 618 6.784 -31.476 -3.427 1.00 73.15 H new ATOM 0 HG LEU A 618 7.262 -32.329 -6.307 1.00 74.41 H new ATOM 0 HD11 LEU A 618 9.019 -30.607 -6.345 1.00 40.25 H new ATOM 0 HD12 LEU A 618 7.403 -29.898 -6.120 1.00 40.25 H new ATOM 0 HD13 LEU A 618 8.506 -30.058 -4.732 1.00 40.25 H new ATOM 0 HD21 LEU A 618 9.522 -32.854 -5.519 1.00 0.34 H new ATOM 0 HD22 LEU A 618 9.051 -32.392 -3.866 1.00 0.34 H new ATOM 0 HD23 LEU A 618 8.281 -33.790 -4.653 1.00 0.34 H new ATOM 1412 N GLY A 619 4.746 -33.199 -2.033 1.00 63.03 N ATOM 1413 CA GLY A 619 3.736 -33.119 -0.993 1.00 35.34 C ATOM 1414 C GLY A 619 3.438 -31.687 -0.582 1.00 13.33 C ATOM 1415 O GLY A 619 2.487 -31.073 -1.043 1.00 43.24 O ATOM 0 H GLY A 619 5.660 -33.515 -1.709 1.00 63.03 H new ATOM 0 HA2 GLY A 619 2.819 -33.591 -1.344 1.00 35.34 H new ATOM 0 HA3 GLY A 619 4.071 -33.682 -0.122 1.00 35.34 H new ATOM 1419 N GLU A 620 4.286 -31.145 0.280 1.00 63.11 N ATOM 1420 CA GLU A 620 4.161 -29.767 0.739 1.00 31.43 C ATOM 1421 C GLU A 620 5.551 -29.353 1.257 1.00 43.03 C ATOM 1422 O GLU A 620 6.183 -30.065 2.036 1.00 42.40 O ATOM 1423 CB GLU A 620 3.073 -29.612 1.831 1.00 35.34 C ATOM 1424 CG GLU A 620 3.496 -30.070 3.215 1.00 42.53 C ATOM 1425 CD GLU A 620 2.387 -30.032 4.249 1.00 22.02 C ATOM 1426 OE1 GLU A 620 1.431 -29.246 4.102 1.00 52.32 O ATOM 1427 OE2 GLU A 620 2.523 -30.759 5.264 1.00 61.24 O ATOM 0 H GLU A 620 5.079 -31.646 0.681 1.00 63.11 H new ATOM 0 HA GLU A 620 3.840 -29.120 -0.077 1.00 31.43 H new ATOM 0 HB2 GLU A 620 2.777 -28.564 1.884 1.00 35.34 H new ATOM 0 HB3 GLU A 620 2.191 -30.177 1.529 1.00 35.34 H new ATOM 0 HG2 GLU A 620 3.879 -31.088 3.147 1.00 42.53 H new ATOM 0 HG3 GLU A 620 4.318 -29.442 3.558 1.00 42.53 H new ATOM 1434 N PRO A 621 6.084 -28.236 0.769 1.00 25.53 N ATOM 1435 CA PRO A 621 7.398 -27.806 1.250 1.00 53.14 C ATOM 1436 C PRO A 621 7.283 -27.184 2.647 1.00 45.04 C ATOM 1437 O PRO A 621 6.392 -26.379 2.912 1.00 5.42 O ATOM 1438 CB PRO A 621 7.817 -26.799 0.184 1.00 30.21 C ATOM 1439 CG PRO A 621 6.513 -26.198 -0.275 1.00 23.10 C ATOM 1440 CD PRO A 621 5.520 -27.314 -0.220 1.00 14.32 C ATOM 0 HA PRO A 621 8.124 -28.610 1.371 1.00 53.14 H new ATOM 0 HB2 PRO A 621 8.486 -26.041 0.591 1.00 30.21 H new ATOM 0 HB3 PRO A 621 8.346 -27.283 -0.637 1.00 30.21 H new ATOM 0 HG2 PRO A 621 6.212 -25.373 0.370 1.00 23.10 H new ATOM 0 HG3 PRO A 621 6.599 -25.798 -1.285 1.00 23.10 H new ATOM 0 HD2 PRO A 621 4.535 -26.958 0.081 1.00 14.32 H new ATOM 0 HD3 PRO A 621 5.402 -27.793 -1.192 1.00 14.32 H new ATOM 1448 N LYS A 622 8.154 -27.593 3.558 1.00 44.02 N ATOM 1449 CA LYS A 622 8.077 -27.155 4.957 1.00 23.41 C ATOM 1450 C LYS A 622 9.420 -26.608 5.385 1.00 23.54 C ATOM 1451 O LYS A 622 10.430 -27.187 5.083 1.00 73.15 O ATOM 1452 CB LYS A 622 7.700 -28.348 5.842 1.00 3.11 C ATOM 1453 CG LYS A 622 6.338 -28.955 5.492 1.00 52.35 C ATOM 1454 CD LYS A 622 6.087 -30.288 6.177 1.00 25.20 C ATOM 1455 CE LYS A 622 6.803 -31.412 5.430 1.00 2.35 C ATOM 1456 NZ LYS A 622 6.442 -32.761 5.960 1.00 50.33 N ATOM 0 H LYS A 622 8.926 -28.229 3.360 1.00 44.02 H new ATOM 0 HA LYS A 622 7.321 -26.377 5.058 1.00 23.41 H new ATOM 0 HB2 LYS A 622 8.467 -29.117 5.750 1.00 3.11 H new ATOM 0 HB3 LYS A 622 7.691 -28.030 6.884 1.00 3.11 H new ATOM 0 HG2 LYS A 622 5.551 -28.255 5.773 1.00 52.35 H new ATOM 0 HG3 LYS A 622 6.273 -29.090 4.412 1.00 52.35 H new ATOM 0 HD2 LYS A 622 6.438 -30.246 7.208 1.00 25.20 H new ATOM 0 HD3 LYS A 622 5.017 -30.490 6.213 1.00 25.20 H new ATOM 0 HE2 LYS A 622 6.551 -31.360 4.371 1.00 2.35 H new ATOM 0 HE3 LYS A 622 7.881 -31.269 5.508 1.00 2.35 H new ATOM 0 HZ1 LYS A 622 7.170 -33.450 5.681 1.00 50.33 H new ATOM 0 HZ2 LYS A 622 6.382 -32.722 6.998 1.00 50.33 H new ATOM 0 HZ3 LYS A 622 5.523 -33.052 5.571 1.00 50.33 H new ATOM 1470 N TRP A 623 9.443 -25.521 6.125 1.00 34.42 N ATOM 1471 CA TRP A 623 10.704 -24.897 6.529 1.00 63.41 C ATOM 1472 C TRP A 623 11.207 -25.617 7.749 1.00 10.01 C ATOM 1473 O TRP A 623 10.593 -25.525 8.811 1.00 73.25 O ATOM 1474 CB TRP A 623 10.442 -23.446 6.875 1.00 1.41 C ATOM 1475 CG TRP A 623 11.505 -22.512 6.484 1.00 0.44 C ATOM 1476 CD1 TRP A 623 12.668 -22.780 5.852 1.00 25.41 C ATOM 1477 CD2 TRP A 623 11.521 -21.105 6.736 1.00 34.43 C ATOM 1478 NE1 TRP A 623 13.397 -21.644 5.644 1.00 51.45 N ATOM 1479 CE2 TRP A 623 12.717 -20.585 6.170 1.00 43.44 C ATOM 1480 CE3 TRP A 623 10.657 -20.233 7.416 1.00 12.41 C ATOM 1481 CZ2 TRP A 623 13.045 -19.215 6.222 1.00 21.34 C ATOM 1482 CZ3 TRP A 623 10.997 -18.883 7.526 1.00 21.30 C ATOM 1483 CH2 TRP A 623 12.182 -18.369 6.897 1.00 64.51 C ATOM 0 H TRP A 623 8.608 -25.044 6.464 1.00 34.42 H new ATOM 0 HA TRP A 623 11.439 -24.952 5.726 1.00 63.41 H new ATOM 0 HB2 TRP A 623 9.513 -23.136 6.396 1.00 1.41 H new ATOM 0 HB3 TRP A 623 10.288 -23.367 7.951 1.00 1.41 H new ATOM 0 HD1 TRP A 623 12.982 -23.768 5.549 1.00 25.41 H new ATOM 0 HE1 TRP A 623 14.301 -21.595 5.173 1.00 51.45 H new ATOM 0 HE3 TRP A 623 9.739 -20.602 7.850 1.00 12.41 H new ATOM 0 HZ2 TRP A 623 13.940 -18.838 5.751 1.00 21.34 H new ATOM 0 HZ3 TRP A 623 10.361 -18.217 8.091 1.00 21.30 H new ATOM 0 HH2 TRP A 623 12.401 -17.313 6.951 1.00 64.51 H new ATOM 1494 N MET A 624 12.351 -26.290 7.636 1.00 21.21 N ATOM 1495 CA MET A 624 13.016 -26.643 8.855 1.00 62.14 C ATOM 1496 C MET A 624 14.442 -26.117 8.906 1.00 35.14 C ATOM 1497 O MET A 624 15.455 -26.798 9.003 1.00 23.24 O ATOM 1498 CB MET A 624 13.254 -28.098 8.666 1.00 73.34 C ATOM 1499 CG MET A 624 12.056 -28.990 8.340 1.00 33.21 C ATOM 1500 SD MET A 624 10.938 -29.283 9.699 1.00 51.21 S ATOM 1501 CE MET A 624 10.014 -30.655 8.996 1.00 31.40 C ATOM 0 H MET A 624 12.801 -26.579 6.767 1.00 21.21 H new ATOM 0 HA MET A 624 12.441 -26.292 9.712 1.00 62.14 H new ATOM 0 HB2 MET A 624 13.984 -28.215 7.865 1.00 73.34 H new ATOM 0 HB3 MET A 624 13.716 -28.481 9.576 1.00 73.34 H new ATOM 0 HG2 MET A 624 11.497 -28.536 7.522 1.00 33.21 H new ATOM 0 HG3 MET A 624 12.425 -29.950 7.980 1.00 33.21 H new ATOM 0 HE1 MET A 624 9.256 -30.985 9.706 1.00 31.40 H new ATOM 0 HE2 MET A 624 9.532 -30.334 8.073 1.00 31.40 H new ATOM 0 HE3 MET A 624 10.694 -31.480 8.782 1.00 31.40 H new ATOM 1511 N GLU A 625 14.340 -24.891 9.270 1.00 23.30 N ATOM 1512 CA GLU A 625 15.231 -23.965 9.875 1.00 73.42 C ATOM 1513 C GLU A 625 14.074 -23.168 10.522 1.00 23.43 C ATOM 1514 O GLU A 625 12.924 -23.352 10.088 1.00 13.41 O ATOM 1515 CB GLU A 625 16.021 -23.256 8.789 1.00 21.12 C ATOM 1516 CG GLU A 625 16.808 -22.044 9.200 1.00 51.13 C ATOM 1517 CD GLU A 625 17.445 -22.178 10.571 1.00 34.24 C ATOM 1518 OE1 GLU A 625 18.351 -23.008 10.734 1.00 41.21 O ATOM 1519 OE2 GLU A 625 17.000 -21.465 11.498 1.00 61.12 O ATOM 0 H GLU A 625 13.445 -24.426 9.116 1.00 23.30 H new ATOM 0 HA GLU A 625 16.029 -24.273 10.550 1.00 73.42 H new ATOM 0 HB2 GLU A 625 16.712 -23.975 8.348 1.00 21.12 H new ATOM 0 HB3 GLU A 625 15.326 -22.959 8.004 1.00 21.12 H new ATOM 0 HG2 GLU A 625 17.588 -21.858 8.461 1.00 51.13 H new ATOM 0 HG3 GLU A 625 16.151 -21.174 9.196 1.00 51.13 H new ATOM 1526 N ARG A 626 14.321 -22.302 11.493 1.00 3.54 N ATOM 1527 CA ARG A 626 13.309 -21.335 12.009 1.00 40.11 C ATOM 1528 C ARG A 626 12.269 -21.896 12.961 1.00 43.24 C ATOM 1529 O ARG A 626 12.064 -21.331 14.022 1.00 0.45 O ATOM 1530 CB ARG A 626 12.552 -20.557 10.870 1.00 44.42 C ATOM 1531 CG ARG A 626 13.371 -20.153 9.656 1.00 24.02 C ATOM 1532 CD ARG A 626 14.557 -19.215 10.013 1.00 41.02 C ATOM 1533 NE ARG A 626 14.235 -18.230 11.071 1.00 13.33 N ATOM 1534 CZ ARG A 626 13.433 -17.173 10.954 1.00 2.41 C ATOM 1535 NH1 ARG A 626 12.800 -16.873 9.851 1.00 13.20 N ATOM 1536 NH2 ARG A 626 13.259 -16.404 11.991 1.00 42.50 N ATOM 0 H ARG A 626 15.225 -22.234 11.960 1.00 3.54 H new ATOM 0 HA ARG A 626 13.941 -20.657 12.582 1.00 40.11 H new ATOM 0 HB2 ARG A 626 11.722 -21.176 10.529 1.00 44.42 H new ATOM 0 HB3 ARG A 626 12.120 -19.655 11.304 1.00 44.42 H new ATOM 0 HG2 ARG A 626 13.756 -21.049 9.169 1.00 24.02 H new ATOM 0 HG3 ARG A 626 12.723 -19.653 8.936 1.00 24.02 H new ATOM 0 HD2 ARG A 626 15.404 -19.820 10.337 1.00 41.02 H new ATOM 0 HD3 ARG A 626 14.871 -18.682 9.115 1.00 41.02 H new ATOM 0 HE ARG A 626 14.672 -18.376 11.981 1.00 13.33 H new ATOM 0 HH11 ARG A 626 12.908 -17.461 9.025 1.00 13.20 H new ATOM 0 HH12 ARG A 626 12.197 -16.051 9.816 1.00 13.20 H new ATOM 0 HH21 ARG A 626 13.732 -16.617 12.869 1.00 42.50 H new ATOM 0 HH22 ARG A 626 12.649 -15.589 11.925 1.00 42.50 H new ATOM 1916 N GLY A 650 7.857 -16.945 6.654 1.00 22.23 N ATOM 1917 CA GLY A 650 8.875 -17.193 5.636 1.00 20.31 C ATOM 1918 C GLY A 650 8.637 -18.374 4.705 1.00 2.42 C ATOM 1919 O GLY A 650 9.551 -18.807 4.011 1.00 34.41 O ATOM 0 HA2 GLY A 650 8.974 -16.294 5.027 1.00 20.31 H new ATOM 0 HA3 GLY A 650 9.830 -17.343 6.139 1.00 20.31 H new ATOM 1923 N LYS A 651 7.477 -18.992 4.827 1.00 10.13 N ATOM 1924 CA LYS A 651 7.281 -20.347 4.331 1.00 73.43 C ATOM 1925 C LYS A 651 7.260 -20.510 2.811 1.00 13.52 C ATOM 1926 O LYS A 651 6.761 -19.643 2.088 1.00 32.43 O ATOM 1927 CB LYS A 651 6.006 -20.937 4.942 1.00 3.44 C ATOM 1928 CG LYS A 651 4.777 -20.070 4.770 1.00 51.01 C ATOM 1929 CD LYS A 651 3.540 -20.796 5.261 1.00 32.54 C ATOM 1930 CE LYS A 651 2.288 -19.968 5.022 1.00 60.41 C ATOM 1931 NZ LYS A 651 1.061 -20.708 5.475 1.00 53.13 N ATOM 0 H LYS A 651 6.654 -18.579 5.265 1.00 10.13 H new ATOM 0 HA LYS A 651 8.168 -20.894 4.649 1.00 73.43 H new ATOM 0 HB2 LYS A 651 5.816 -21.910 4.490 1.00 3.44 H new ATOM 0 HB3 LYS A 651 6.171 -21.107 6.006 1.00 3.44 H new ATOM 0 HG2 LYS A 651 4.902 -19.139 5.322 1.00 51.01 H new ATOM 0 HG3 LYS A 651 4.657 -19.804 3.720 1.00 51.01 H new ATOM 0 HD2 LYS A 651 3.449 -21.754 4.749 1.00 32.54 H new ATOM 0 HD3 LYS A 651 3.639 -21.012 6.325 1.00 32.54 H new ATOM 0 HE2 LYS A 651 2.365 -19.022 5.557 1.00 60.41 H new ATOM 0 HE3 LYS A 651 2.202 -19.728 3.962 1.00 60.41 H new ATOM 0 HZ1 LYS A 651 0.219 -20.123 5.302 1.00 53.13 H new ATOM 0 HZ2 LYS A 651 0.978 -21.599 4.946 1.00 53.13 H new ATOM 0 HZ3 LYS A 651 1.136 -20.915 6.492 1.00 53.13 H new ATOM 1945 N PRO A 652 7.799 -21.635 2.312 1.00 2.54 N ATOM 1946 CA PRO A 652 7.804 -21.901 0.871 1.00 60.23 C ATOM 1947 C PRO A 652 6.463 -22.391 0.359 1.00 74.50 C ATOM 1948 O PRO A 652 5.598 -22.805 1.129 1.00 24.53 O ATOM 1949 CB PRO A 652 8.833 -23.020 0.751 1.00 0.31 C ATOM 1950 CG PRO A 652 8.679 -23.760 2.017 1.00 63.22 C ATOM 1951 CD PRO A 652 8.450 -22.735 3.053 1.00 32.35 C ATOM 0 HA PRO A 652 8.022 -21.005 0.290 1.00 60.23 H new ATOM 0 HB2 PRO A 652 8.637 -23.655 -0.113 1.00 0.31 H new ATOM 0 HB3 PRO A 652 9.843 -22.627 0.635 1.00 0.31 H new ATOM 0 HG2 PRO A 652 7.843 -24.457 1.964 1.00 63.22 H new ATOM 0 HG3 PRO A 652 9.570 -24.348 2.238 1.00 63.22 H new ATOM 0 HD2 PRO A 652 7.814 -23.110 3.855 1.00 32.35 H new ATOM 0 HD3 PRO A 652 9.385 -22.412 3.512 1.00 32.35 H new ATOM 1959 N VAL A 653 6.335 -22.398 -0.956 1.00 64.52 N ATOM 1960 CA VAL A 653 5.166 -22.967 -1.646 1.00 1.44 C ATOM 1961 C VAL A 653 5.658 -23.651 -2.924 1.00 60.52 C ATOM 1962 O VAL A 653 6.790 -23.435 -3.346 1.00 22.32 O ATOM 1963 CB VAL A 653 4.080 -21.882 -2.004 1.00 1.13 C ATOM 1964 CG1 VAL A 653 3.476 -21.268 -0.732 1.00 51.41 C ATOM 1965 CG2 VAL A 653 4.656 -20.774 -2.885 1.00 15.42 C ATOM 0 H VAL A 653 7.036 -22.010 -1.588 1.00 64.52 H new ATOM 0 HA VAL A 653 4.683 -23.677 -0.975 1.00 1.44 H new ATOM 0 HB VAL A 653 3.295 -22.391 -2.563 1.00 1.13 H new ATOM 0 HG11 VAL A 653 2.730 -20.523 -1.007 1.00 51.41 H new ATOM 0 HG12 VAL A 653 3.005 -22.051 -0.138 1.00 51.41 H new ATOM 0 HG13 VAL A 653 4.264 -20.794 -0.147 1.00 51.41 H new ATOM 0 HG21 VAL A 653 3.877 -20.046 -3.110 1.00 15.42 H new ATOM 0 HG22 VAL A 653 5.474 -20.280 -2.360 1.00 15.42 H new ATOM 0 HG23 VAL A 653 5.029 -21.205 -3.814 1.00 15.42 H new ATOM 1975 N LEU A 654 4.828 -24.488 -3.529 1.00 51.22 N ATOM 1976 CA LEU A 654 5.165 -25.143 -4.785 1.00 64.11 C ATOM 1977 C LEU A 654 5.079 -24.196 -5.984 1.00 21.41 C ATOM 1978 O LEU A 654 4.501 -23.118 -5.895 1.00 70.45 O ATOM 1979 CB LEU A 654 4.194 -26.300 -4.988 1.00 33.34 C ATOM 1980 CG LEU A 654 4.217 -27.321 -3.842 1.00 70.23 C ATOM 1981 CD1 LEU A 654 3.144 -28.347 -4.023 1.00 14.15 C ATOM 1982 CD2 LEU A 654 5.587 -27.965 -3.751 1.00 51.44 C ATOM 0 H LEU A 654 3.907 -24.732 -3.166 1.00 51.22 H new ATOM 0 HA LEU A 654 6.197 -25.488 -4.725 1.00 64.11 H new ATOM 0 HB2 LEU A 654 3.184 -25.903 -5.092 1.00 33.34 H new ATOM 0 HB3 LEU A 654 4.435 -26.807 -5.922 1.00 33.34 H new ATOM 0 HG LEU A 654 4.018 -26.803 -2.904 1.00 70.23 H new ATOM 0 HD11 LEU A 654 3.180 -29.060 -3.199 1.00 14.15 H new ATOM 0 HD12 LEU A 654 2.171 -27.857 -4.037 1.00 14.15 H new ATOM 0 HD13 LEU A 654 3.299 -28.873 -4.965 1.00 14.15 H new ATOM 0 HD21 LEU A 654 5.596 -28.688 -2.936 1.00 51.44 H new ATOM 0 HD22 LEU A 654 5.813 -28.473 -4.689 1.00 51.44 H new ATOM 0 HD23 LEU A 654 6.338 -27.198 -3.563 1.00 51.44 H new ATOM 1994 N GLY A 655 5.681 -24.617 -7.087 1.00 24.12 N ATOM 1995 CA GLY A 655 5.702 -23.835 -8.316 1.00 73.01 C ATOM 1996 C GLY A 655 4.626 -24.186 -9.296 1.00 70.35 C ATOM 1997 O GLY A 655 3.600 -24.763 -8.972 1.00 62.32 O ATOM 0 H GLY A 655 6.169 -25.510 -7.156 1.00 24.12 H new ATOM 0 HA2 GLY A 655 5.613 -22.779 -8.061 1.00 73.01 H new ATOM 0 HA3 GLY A 655 6.671 -23.966 -8.798 1.00 73.01 H new ATOM 2001 N GLU A 656 4.927 -23.857 -10.539 1.00 34.11 N ATOM 2002 CA GLU A 656 4.009 -24.089 -11.643 1.00 73.35 C ATOM 2003 C GLU A 656 4.072 -25.557 -12.067 1.00 11.14 C ATOM 2004 O GLU A 656 3.131 -26.091 -12.636 1.00 0.40 O ATOM 2005 CB GLU A 656 4.374 -23.201 -12.824 1.00 1.54 C ATOM 2006 CG GLU A 656 4.597 -21.748 -12.459 1.00 71.03 C ATOM 2007 CD GLU A 656 3.528 -21.177 -11.544 1.00 62.45 C ATOM 2008 OE1 GLU A 656 2.341 -21.177 -11.925 1.00 52.11 O ATOM 2009 OE2 GLU A 656 3.895 -20.697 -10.450 1.00 1.23 O ATOM 0 H GLU A 656 5.809 -23.424 -10.812 1.00 34.11 H new ATOM 0 HA GLU A 656 2.997 -23.848 -11.317 1.00 73.35 H new ATOM 0 HB2 GLU A 656 5.279 -23.590 -13.292 1.00 1.54 H new ATOM 0 HB3 GLU A 656 3.580 -23.260 -13.568 1.00 1.54 H new ATOM 0 HG2 GLU A 656 5.568 -21.649 -11.974 1.00 71.03 H new ATOM 0 HG3 GLU A 656 4.635 -21.155 -13.373 1.00 71.03 H new ATOM 2016 N HIS A 657 5.213 -26.188 -11.802 1.00 64.34 N ATOM 2017 CA HIS A 657 5.441 -27.594 -12.182 1.00 43.51 C ATOM 2018 C HIS A 657 6.119 -28.441 -11.110 1.00 24.31 C ATOM 2019 O HIS A 657 7.211 -28.943 -11.323 1.00 11.23 O ATOM 2020 CB HIS A 657 6.300 -27.640 -13.442 1.00 11.32 C ATOM 2021 CG HIS A 657 5.784 -26.768 -14.531 1.00 0.10 C ATOM 2022 ND1 HIS A 657 4.825 -27.179 -15.454 1.00 2.05 N ATOM 2023 CD2 HIS A 657 6.040 -25.474 -14.844 1.00 11.31 C ATOM 2024 CE1 HIS A 657 4.560 -26.169 -16.272 1.00 41.22 C ATOM 2025 NE2 HIS A 657 5.282 -25.135 -15.923 1.00 43.52 N ATOM 0 H HIS A 657 6.002 -25.752 -11.324 1.00 64.34 H new ATOM 0 HA HIS A 657 4.451 -28.022 -12.338 1.00 43.51 H new ATOM 0 HB2 HIS A 657 7.317 -27.337 -13.193 1.00 11.32 H new ATOM 0 HB3 HIS A 657 6.353 -28.668 -13.801 1.00 11.32 H new ATOM 0 HD1 HIS A 657 4.397 -28.104 -15.494 1.00 2.05 H new ATOM 0 HD2 HIS A 657 6.728 -24.823 -14.326 1.00 11.31 H new ATOM 0 HE1 HIS A 657 3.860 -26.196 -17.094 1.00 41.22 H new ATOM 2033 N PRO A 658 5.495 -28.614 -9.937 1.00 40.14 N ATOM 2034 CA PRO A 658 6.063 -29.465 -8.884 1.00 33.45 C ATOM 2035 C PRO A 658 5.828 -30.958 -9.145 1.00 24.33 C ATOM 2036 O PRO A 658 5.584 -31.741 -8.226 1.00 35.52 O ATOM 2037 CB PRO A 658 5.303 -28.996 -7.653 1.00 15.12 C ATOM 2038 CG PRO A 658 3.968 -28.652 -8.170 1.00 61.03 C ATOM 2039 CD PRO A 658 4.225 -28.012 -9.499 1.00 12.30 C ATOM 0 HA PRO A 658 7.146 -29.376 -8.803 1.00 33.45 H new ATOM 0 HB2 PRO A 658 5.249 -29.778 -6.895 1.00 15.12 H new ATOM 0 HB3 PRO A 658 5.786 -28.136 -7.189 1.00 15.12 H new ATOM 0 HG2 PRO A 658 3.343 -29.539 -8.273 1.00 61.03 H new ATOM 0 HG3 PRO A 658 3.447 -27.971 -7.497 1.00 61.03 H new ATOM 0 HD2 PRO A 658 3.420 -28.218 -10.205 1.00 12.30 H new ATOM 0 HD3 PRO A 658 4.304 -26.928 -9.413 1.00 12.30 H new ATOM 2047 N LYS A 659 5.841 -31.317 -10.418 1.00 52.31 N ATOM 2048 CA LYS A 659 5.558 -32.666 -10.872 1.00 74.22 C ATOM 2049 C LYS A 659 6.183 -32.883 -12.239 1.00 44.34 C ATOM 2050 O LYS A 659 6.348 -31.933 -12.993 1.00 74.20 O ATOM 2051 CB LYS A 659 4.048 -32.853 -10.966 1.00 62.01 C ATOM 2052 CG LYS A 659 3.608 -34.189 -11.582 1.00 24.44 C ATOM 2053 CD LYS A 659 2.143 -34.482 -11.385 1.00 65.24 C ATOM 2054 CE LYS A 659 1.289 -33.375 -11.870 1.00 72.05 C ATOM 2055 NZ LYS A 659 1.506 -33.077 -13.363 1.00 12.45 N ATOM 0 H LYS A 659 6.052 -30.668 -11.176 1.00 52.31 H new ATOM 0 HA LYS A 659 5.975 -33.386 -10.168 1.00 74.22 H new ATOM 0 HB2 LYS A 659 3.622 -32.771 -9.966 1.00 62.01 H new ATOM 0 HB3 LYS A 659 3.630 -32.039 -11.559 1.00 62.01 H new ATOM 0 HG2 LYS A 659 3.829 -34.180 -12.649 1.00 24.44 H new ATOM 0 HG3 LYS A 659 4.195 -34.995 -11.142 1.00 24.44 H new ATOM 0 HD2 LYS A 659 1.882 -35.400 -11.912 1.00 65.24 H new ATOM 0 HD3 LYS A 659 1.946 -34.655 -10.327 1.00 65.24 H new ATOM 0 HE2 LYS A 659 0.242 -33.627 -11.701 1.00 72.05 H new ATOM 0 HE3 LYS A 659 1.499 -32.477 -11.289 1.00 72.05 H new ATOM 0 HZ1 LYS A 659 0.774 -32.417 -13.695 1.00 12.45 H new ATOM 0 HZ2 LYS A 659 2.444 -32.650 -13.499 1.00 12.45 H new ATOM 0 HZ3 LYS A 659 1.447 -33.962 -13.906 1.00 12.45 H new ATOM 2069 N LEU A 660 6.533 -34.128 -12.532 1.00 75.40 N ATOM 2070 CA LEU A 660 7.047 -34.530 -13.835 1.00 74.12 C ATOM 2071 C LEU A 660 6.327 -35.803 -14.271 1.00 42.43 C ATOM 2072 O LEU A 660 6.362 -36.788 -13.546 1.00 63.42 O ATOM 2073 CB LEU A 660 8.560 -34.785 -13.742 1.00 73.14 C ATOM 2074 CG LEU A 660 9.236 -35.300 -15.009 1.00 63.20 C ATOM 2075 CD1 LEU A 660 8.865 -34.435 -16.184 1.00 14.10 C ATOM 2076 CD2 LEU A 660 10.752 -35.343 -14.831 1.00 72.12 C ATOM 0 H LEU A 660 6.467 -34.896 -11.864 1.00 75.40 H new ATOM 0 HA LEU A 660 6.873 -33.740 -14.565 1.00 74.12 H new ATOM 0 HB2 LEU A 660 9.047 -33.855 -13.448 1.00 73.14 H new ATOM 0 HB3 LEU A 660 8.738 -35.504 -12.942 1.00 73.14 H new ATOM 0 HG LEU A 660 8.888 -36.315 -15.200 1.00 63.20 H new ATOM 0 HD11 LEU A 660 9.354 -34.812 -17.082 1.00 14.10 H new ATOM 0 HD12 LEU A 660 7.784 -34.455 -16.323 1.00 14.10 H new ATOM 0 HD13 LEU A 660 9.188 -33.411 -15.998 1.00 14.10 H new ATOM 0 HD21 LEU A 660 11.215 -35.713 -15.746 1.00 72.12 H new ATOM 0 HD22 LEU A 660 11.122 -34.340 -14.617 1.00 72.12 H new ATOM 0 HD23 LEU A 660 11.002 -36.007 -14.003 1.00 72.12 H new ATOM 2088 N GLU A 661 5.677 -35.767 -15.427 1.00 55.55 N ATOM 2089 CA GLU A 661 4.995 -36.932 -16.010 1.00 64.33 C ATOM 2090 C GLU A 661 5.975 -37.704 -16.878 1.00 4.23 C ATOM 2091 O GLU A 661 6.665 -37.111 -17.686 1.00 75.14 O ATOM 2092 CB GLU A 661 3.826 -36.461 -16.866 1.00 15.34 C ATOM 2093 CG GLU A 661 3.072 -37.566 -17.519 1.00 72.20 C ATOM 2094 CD GLU A 661 1.639 -37.164 -17.811 1.00 10.41 C ATOM 2095 OE1 GLU A 661 1.425 -36.197 -18.576 1.00 53.25 O ATOM 2096 OE2 GLU A 661 0.725 -37.767 -17.210 1.00 31.22 O ATOM 0 H GLU A 661 5.603 -34.924 -15.997 1.00 55.55 H new ATOM 0 HA GLU A 661 4.625 -37.575 -15.212 1.00 64.33 H new ATOM 0 HB2 GLU A 661 3.141 -35.886 -16.243 1.00 15.34 H new ATOM 0 HB3 GLU A 661 4.201 -35.786 -17.635 1.00 15.34 H new ATOM 0 HG2 GLU A 661 3.568 -37.848 -18.448 1.00 72.20 H new ATOM 0 HG3 GLU A 661 3.080 -38.445 -16.874 1.00 72.20 H new ATOM 2103 N VAL A 662 6.061 -39.010 -16.673 1.00 11.21 N ATOM 2104 CA VAL A 662 7.073 -39.857 -17.306 1.00 41.52 C ATOM 2105 C VAL A 662 6.385 -40.996 -18.020 1.00 11.11 C ATOM 2106 O VAL A 662 5.593 -41.720 -17.429 1.00 55.14 O ATOM 2107 CB VAL A 662 8.015 -40.495 -16.237 1.00 72.33 C ATOM 2108 CG1 VAL A 662 9.279 -41.094 -16.802 1.00 31.22 C ATOM 2109 CG2 VAL A 662 8.192 -39.623 -14.971 1.00 64.33 C ATOM 0 H VAL A 662 5.427 -39.520 -16.058 1.00 11.21 H new ATOM 0 HA VAL A 662 7.651 -39.236 -17.991 1.00 41.52 H new ATOM 0 HB VAL A 662 7.483 -41.372 -15.869 1.00 72.33 H new ATOM 0 HG11 VAL A 662 9.876 -41.515 -15.993 1.00 31.22 H new ATOM 0 HG12 VAL A 662 9.023 -41.881 -17.512 1.00 31.22 H new ATOM 0 HG13 VAL A 662 9.853 -40.319 -17.311 1.00 31.22 H new ATOM 0 HG21 VAL A 662 8.859 -40.128 -14.272 1.00 64.33 H new ATOM 0 HG22 VAL A 662 8.620 -38.660 -15.249 1.00 64.33 H new ATOM 0 HG23 VAL A 662 7.222 -39.466 -14.499 1.00 64.33 H new ATOM 2119 N ILE A 663 6.736 -41.164 -19.282 1.00 34.13 N ATOM 2120 CA ILE A 663 6.218 -42.249 -20.102 1.00 23.01 C ATOM 2121 C ILE A 663 7.356 -43.238 -20.229 1.00 42.41 C ATOM 2122 O ILE A 663 8.486 -42.848 -20.550 1.00 72.31 O ATOM 2123 CB ILE A 663 5.839 -41.759 -21.529 1.00 21.14 C ATOM 2124 CG1 ILE A 663 4.665 -40.753 -21.480 1.00 62.52 C ATOM 2125 CG2 ILE A 663 5.544 -42.951 -22.460 1.00 71.23 C ATOM 2126 CD1 ILE A 663 3.256 -41.354 -21.726 1.00 71.41 C ATOM 0 H ILE A 663 7.390 -40.552 -19.770 1.00 34.13 H new ATOM 0 HA ILE A 663 5.321 -42.671 -19.648 1.00 23.01 H new ATOM 0 HB ILE A 663 6.695 -41.228 -21.947 1.00 21.14 H new ATOM 0 HG12 ILE A 663 4.668 -40.267 -20.505 1.00 62.52 H new ATOM 0 HG13 ILE A 663 4.844 -39.977 -22.224 1.00 62.52 H new ATOM 0 HG21 ILE A 663 5.282 -42.582 -23.451 1.00 71.23 H new ATOM 0 HG22 ILE A 663 6.428 -43.585 -22.531 1.00 71.23 H new ATOM 0 HG23 ILE A 663 4.713 -43.531 -22.057 1.00 71.23 H new ATOM 0 HD11 ILE A 663 2.508 -40.563 -21.669 1.00 71.41 H new ATOM 0 HD12 ILE A 663 3.224 -41.814 -22.714 1.00 71.41 H new ATOM 0 HD13 ILE A 663 3.045 -42.108 -20.968 1.00 71.41 H new ATOM 2138 N ILE A 664 7.070 -44.504 -19.999 1.00 12.02 N ATOM 2139 CA ILE A 664 8.060 -45.556 -20.195 1.00 35.41 C ATOM 2140 C ILE A 664 7.929 -46.016 -21.659 1.00 50.34 C ATOM 2141 O ILE A 664 6.945 -46.638 -22.054 1.00 72.20 O ATOM 2142 CB ILE A 664 7.869 -46.686 -19.145 1.00 32.42 C ATOM 2143 CG1 ILE A 664 8.046 -46.074 -17.731 1.00 45.44 C ATOM 2144 CG2 ILE A 664 8.899 -47.820 -19.371 1.00 24.15 C ATOM 2145 CD1 ILE A 664 7.549 -46.911 -16.577 1.00 31.24 C ATOM 0 H ILE A 664 6.161 -44.834 -19.676 1.00 12.02 H new ATOM 0 HA ILE A 664 9.080 -45.206 -20.033 1.00 35.41 H new ATOM 0 HB ILE A 664 6.872 -47.116 -19.245 1.00 32.42 H new ATOM 0 HG12 ILE A 664 9.105 -45.870 -17.576 1.00 45.44 H new ATOM 0 HG13 ILE A 664 7.530 -45.114 -17.706 1.00 45.44 H new ATOM 0 HG21 ILE A 664 8.749 -48.601 -18.626 1.00 24.15 H new ATOM 0 HG22 ILE A 664 8.766 -48.239 -20.368 1.00 24.15 H new ATOM 0 HG23 ILE A 664 9.908 -47.419 -19.278 1.00 24.15 H new ATOM 0 HD11 ILE A 664 7.726 -46.382 -15.641 1.00 31.24 H new ATOM 0 HD12 ILE A 664 6.481 -47.094 -16.694 1.00 31.24 H new ATOM 0 HD13 ILE A 664 8.081 -47.862 -16.562 1.00 31.24 H new