USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=22 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= 0.0183 USER MOD Single : A 536 CYS SG : rot -2:sc= 0.00866 USER MOD Single : A 538 THR OG1 : rot 69:sc= 0.133 USER MOD Single : A 540 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.017) USER MOD Single : A 542 SER OG : rot 33:sc= 0.484 USER MOD Single : A 544 SER OG : rot 180:sc= 0 USER MOD Single : A 548 MET CE :methyl 141:sc= -0.522 (180deg=-3.68!) USER MOD Single : A 551 LYS NZ :NH3+ -164:sc= 0.804 (180deg=0.168) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0483 USER MOD Single : A 556 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 561 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 568 THR OG1 : rot -110:sc= 0.648 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -125:sc= 0.0673 (180deg=-0.0165) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 164:sc= 0.443 (180deg=0.0967) USER MOD Single : A 591 ASN : amide:sc= 0.335 X(o=0.33,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -170:sc= 0.629 (180deg=0.577) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ 175:sc= 0.422 (180deg=0.375) USER MOD Single : A 613 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.37) USER MOD Single : A 622 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.922) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -174:sc= 1.44 (180deg=1.42) USER MOD Single : A 657 HIS : no HE2:sc= -0.126 K(o=-0.093,f=-3.3!) USER MOD Single : A 659 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.883 -18.133 1.888 1.00 52.41 N ATOM 19 CA ALA A 529 11.458 -19.366 1.354 1.00 54.12 C ATOM 20 C ALA A 529 11.025 -19.535 -0.110 1.00 70.13 C ATOM 21 O ALA A 529 9.907 -19.182 -0.482 1.00 20.14 O ATOM 22 CB ALA A 529 10.996 -20.553 2.178 1.00 24.54 C ATOM 0 HA ALA A 529 12.546 -19.312 1.403 1.00 54.12 H new ATOM 0 HB1 ALA A 529 11.429 -21.468 1.773 1.00 24.54 H new ATOM 0 HB2 ALA A 529 11.318 -20.426 3.212 1.00 24.54 H new ATOM 0 HB3 ALA A 529 9.909 -20.620 2.142 1.00 24.54 H new ATOM 28 N GLY A 530 11.915 -20.058 -0.941 1.00 11.53 N ATOM 29 CA GLY A 530 11.636 -20.145 -2.359 1.00 73.12 C ATOM 30 C GLY A 530 10.631 -21.189 -2.801 1.00 12.44 C ATOM 31 O GLY A 530 10.425 -22.211 -2.153 1.00 74.35 O ATOM 0 H GLY A 530 12.825 -20.423 -0.659 1.00 11.53 H new ATOM 0 HA2 GLY A 530 11.281 -19.170 -2.695 1.00 73.12 H new ATOM 0 HA3 GLY A 530 12.575 -20.338 -2.877 1.00 73.12 H new ATOM 35 N ILE A 531 10.044 -20.907 -3.954 1.00 44.21 N ATOM 36 CA ILE A 531 9.092 -21.785 -4.630 1.00 3.14 C ATOM 37 C ILE A 531 9.826 -23.037 -5.106 1.00 42.34 C ATOM 38 O ILE A 531 10.949 -22.930 -5.606 1.00 74.34 O ATOM 39 CB ILE A 531 8.476 -21.025 -5.869 1.00 15.13 C ATOM 40 CG1 ILE A 531 7.218 -20.243 -5.450 1.00 41.30 C ATOM 41 CG2 ILE A 531 8.093 -21.976 -7.011 1.00 73.23 C ATOM 42 CD1 ILE A 531 7.474 -18.978 -4.610 1.00 31.22 C ATOM 0 H ILE A 531 10.219 -20.040 -4.461 1.00 44.21 H new ATOM 0 HA ILE A 531 8.292 -22.068 -3.946 1.00 3.14 H new ATOM 0 HB ILE A 531 9.250 -20.346 -6.227 1.00 15.13 H new ATOM 0 HG12 ILE A 531 6.673 -19.957 -6.349 1.00 41.30 H new ATOM 0 HG13 ILE A 531 6.569 -20.910 -4.882 1.00 41.30 H new ATOM 0 HG21 ILE A 531 7.674 -21.402 -7.838 1.00 73.23 H new ATOM 0 HG22 ILE A 531 8.980 -22.510 -7.352 1.00 73.23 H new ATOM 0 HG23 ILE A 531 7.352 -22.692 -6.655 1.00 73.23 H new ATOM 0 HD11 ILE A 531 6.523 -18.503 -4.369 1.00 31.22 H new ATOM 0 HD12 ILE A 531 7.987 -19.251 -3.688 1.00 31.22 H new ATOM 0 HD13 ILE A 531 8.093 -18.283 -5.178 1.00 31.22 H new ATOM 54 N PHE A 532 9.179 -24.195 -4.997 1.00 54.31 N ATOM 55 CA PHE A 532 9.721 -25.455 -5.521 1.00 4.02 C ATOM 56 C PHE A 532 8.984 -25.885 -6.766 1.00 63.35 C ATOM 57 O PHE A 532 7.761 -25.817 -6.841 1.00 23.21 O ATOM 58 CB PHE A 532 9.618 -26.566 -4.496 1.00 51.31 C ATOM 59 CG PHE A 532 10.532 -26.379 -3.343 1.00 73.22 C ATOM 60 CD1 PHE A 532 10.169 -25.572 -2.252 1.00 12.50 C ATOM 61 CD2 PHE A 532 11.792 -26.988 -3.353 1.00 30.31 C ATOM 62 CE1 PHE A 532 11.058 -25.389 -1.175 1.00 10.05 C ATOM 63 CE2 PHE A 532 12.676 -26.811 -2.291 1.00 52.54 C ATOM 64 CZ PHE A 532 12.315 -26.023 -1.196 1.00 52.05 C ATOM 0 H PHE A 532 8.269 -24.291 -4.546 1.00 54.31 H new ATOM 0 HA PHE A 532 10.770 -25.274 -5.757 1.00 4.02 H new ATOM 0 HB2 PHE A 532 8.592 -26.624 -4.133 1.00 51.31 H new ATOM 0 HB3 PHE A 532 9.840 -27.518 -4.977 1.00 51.31 H new ATOM 0 HD1 PHE A 532 9.203 -25.089 -2.239 1.00 12.50 H new ATOM 0 HD2 PHE A 532 12.082 -27.602 -4.193 1.00 30.31 H new ATOM 0 HE1 PHE A 532 10.777 -24.766 -0.338 1.00 10.05 H new ATOM 0 HE2 PHE A 532 13.646 -27.286 -2.315 1.00 52.54 H new ATOM 0 HZ PHE A 532 12.998 -25.900 -0.368 1.00 52.05 H new ATOM 74 N THR A 533 9.745 -26.324 -7.745 1.00 25.20 N ATOM 75 CA THR A 533 9.217 -26.711 -9.042 1.00 4.13 C ATOM 76 C THR A 533 10.256 -27.688 -9.579 1.00 3.42 C ATOM 77 O THR A 533 11.320 -27.818 -8.985 1.00 22.12 O ATOM 78 CB THR A 533 9.060 -25.457 -9.948 1.00 63.40 C ATOM 79 OG1 THR A 533 8.455 -25.819 -11.193 1.00 25.33 O ATOM 80 CG2 THR A 533 10.392 -24.797 -10.215 1.00 54.11 C ATOM 0 H THR A 533 10.757 -26.424 -7.666 1.00 25.20 H new ATOM 0 HA THR A 533 8.227 -27.164 -8.998 1.00 4.13 H new ATOM 0 HB THR A 533 8.422 -24.748 -9.419 1.00 63.40 H new ATOM 0 HG1 THR A 533 8.360 -25.022 -11.755 1.00 25.33 H new ATOM 0 HG21 THR A 533 10.245 -23.924 -10.851 1.00 54.11 H new ATOM 0 HG22 THR A 533 10.840 -24.486 -9.271 1.00 54.11 H new ATOM 0 HG23 THR A 533 11.054 -25.503 -10.716 1.00 54.11 H new ATOM 88 N PHE A 534 9.972 -28.361 -10.676 1.00 51.13 N ATOM 89 CA PHE A 534 10.937 -29.234 -11.326 1.00 10.25 C ATOM 90 C PHE A 534 11.418 -28.499 -12.552 1.00 0.51 C ATOM 91 O PHE A 534 10.855 -27.471 -12.932 1.00 63.22 O ATOM 92 CB PHE A 534 10.297 -30.563 -11.758 1.00 73.33 C ATOM 93 CG PHE A 534 9.937 -31.486 -10.627 1.00 34.12 C ATOM 94 CD1 PHE A 534 10.342 -31.261 -9.298 1.00 75.14 C ATOM 95 CD2 PHE A 534 9.181 -32.616 -10.916 1.00 15.33 C ATOM 96 CE1 PHE A 534 9.947 -32.162 -8.271 1.00 22.42 C ATOM 97 CE2 PHE A 534 8.787 -33.526 -9.910 1.00 53.33 C ATOM 98 CZ PHE A 534 9.160 -33.298 -8.587 1.00 54.41 C ATOM 0 H PHE A 534 9.067 -28.320 -11.144 1.00 51.13 H new ATOM 0 HA PHE A 534 11.747 -29.471 -10.637 1.00 10.25 H new ATOM 0 HB2 PHE A 534 9.396 -30.347 -12.333 1.00 73.33 H new ATOM 0 HB3 PHE A 534 10.985 -31.081 -12.426 1.00 73.33 H new ATOM 0 HD1 PHE A 534 10.953 -30.404 -9.058 1.00 75.14 H new ATOM 0 HD2 PHE A 534 8.887 -32.803 -11.938 1.00 15.33 H new ATOM 0 HE1 PHE A 534 10.247 -31.981 -7.249 1.00 22.42 H new ATOM 0 HE2 PHE A 534 8.199 -34.395 -10.165 1.00 53.33 H new ATOM 0 HZ PHE A 534 8.852 -33.981 -7.809 1.00 54.41 H new ATOM 108 N GLU A 535 12.446 -29.051 -13.167 1.00 25.23 N ATOM 109 CA GLU A 535 13.012 -28.518 -14.403 1.00 63.23 C ATOM 110 C GLU A 535 12.029 -28.498 -15.567 1.00 63.33 C ATOM 111 O GLU A 535 11.988 -27.547 -16.343 1.00 5.22 O ATOM 112 CB GLU A 535 14.163 -29.415 -14.818 1.00 2.10 C ATOM 113 CG GLU A 535 15.444 -29.135 -14.086 1.00 23.22 C ATOM 114 CD GLU A 535 16.619 -29.859 -14.708 1.00 33.51 C ATOM 115 OE1 GLU A 535 16.422 -30.972 -15.239 1.00 23.03 O ATOM 116 OE2 GLU A 535 17.759 -29.354 -14.619 1.00 30.32 O ATOM 0 H GLU A 535 12.919 -29.888 -12.825 1.00 25.23 H new ATOM 0 HA GLU A 535 13.311 -27.491 -14.195 1.00 63.23 H new ATOM 0 HB2 GLU A 535 13.880 -30.454 -14.651 1.00 2.10 H new ATOM 0 HB3 GLU A 535 14.334 -29.299 -15.888 1.00 2.10 H new ATOM 0 HG2 GLU A 535 15.636 -28.062 -14.088 1.00 23.22 H new ATOM 0 HG3 GLU A 535 15.341 -29.438 -13.044 1.00 23.22 H new ATOM 123 N CYS A 536 11.291 -29.583 -15.718 1.00 45.31 N ATOM 124 CA CYS A 536 10.369 -29.759 -16.830 1.00 14.33 C ATOM 125 C CYS A 536 9.203 -30.551 -16.284 1.00 34.41 C ATOM 126 O CYS A 536 9.268 -31.032 -15.153 1.00 74.24 O ATOM 127 CB CYS A 536 11.040 -30.538 -17.969 1.00 74.33 C ATOM 128 SG CYS A 536 12.469 -29.689 -18.695 1.00 51.31 S ATOM 0 H CYS A 536 11.313 -30.371 -15.071 1.00 45.31 H new ATOM 0 HA CYS A 536 10.053 -28.797 -17.234 1.00 14.33 H new ATOM 0 HB2 CYS A 536 11.359 -31.510 -17.593 1.00 74.33 H new ATOM 0 HB3 CYS A 536 10.304 -30.725 -18.751 1.00 74.33 H new ATOM 0 HG CYS A 536 12.631 -28.537 -18.114 1.00 51.31 H new ATOM 134 N ASP A 537 8.166 -30.715 -17.091 1.00 25.40 N ATOM 135 CA ASP A 537 6.978 -31.473 -16.698 1.00 63.22 C ATOM 136 C ASP A 537 6.662 -32.634 -17.642 1.00 32.12 C ATOM 137 O ASP A 537 5.655 -33.293 -17.467 1.00 23.12 O ATOM 138 CB ASP A 537 5.770 -30.538 -16.609 1.00 25.33 C ATOM 139 CG ASP A 537 5.578 -29.698 -17.859 1.00 72.31 C ATOM 140 OD1 ASP A 537 6.093 -30.051 -18.945 1.00 42.22 O ATOM 141 OD2 ASP A 537 4.989 -28.602 -17.712 1.00 71.22 O ATOM 0 H ASP A 537 8.120 -30.330 -18.034 1.00 25.40 H new ATOM 0 HA ASP A 537 7.195 -31.909 -15.723 1.00 63.22 H new ATOM 0 HB2 ASP A 537 4.871 -31.130 -16.434 1.00 25.33 H new ATOM 0 HB3 ASP A 537 5.890 -29.879 -15.749 1.00 25.33 H new ATOM 146 N THR A 538 7.538 -32.910 -18.601 1.00 2.10 N ATOM 147 CA THR A 538 7.357 -33.995 -19.553 1.00 32.54 C ATOM 148 C THR A 538 8.715 -34.681 -19.791 1.00 73.34 C ATOM 149 O THR A 538 9.710 -34.019 -20.084 1.00 54.21 O ATOM 150 CB THR A 538 6.819 -33.444 -20.891 1.00 12.31 C ATOM 151 OG1 THR A 538 5.629 -32.686 -20.653 1.00 3.30 O ATOM 152 CG2 THR A 538 6.476 -34.563 -21.864 1.00 72.25 C ATOM 0 H THR A 538 8.400 -32.382 -18.739 1.00 2.10 H new ATOM 0 HA THR A 538 6.640 -34.712 -19.153 1.00 32.54 H new ATOM 0 HB THR A 538 7.602 -32.823 -21.326 1.00 12.31 H new ATOM 0 HG1 THR A 538 5.857 -31.860 -20.177 1.00 3.30 H new ATOM 0 HG21 THR A 538 6.101 -34.135 -22.793 1.00 72.25 H new ATOM 0 HG22 THR A 538 7.370 -35.152 -22.071 1.00 72.25 H new ATOM 0 HG23 THR A 538 5.712 -35.205 -21.426 1.00 72.25 H new ATOM 160 N ILE A 539 8.741 -35.995 -19.628 1.00 23.33 N ATOM 161 CA ILE A 539 9.946 -36.832 -19.799 1.00 31.21 C ATOM 162 C ILE A 539 9.540 -38.217 -20.342 1.00 51.53 C ATOM 163 O ILE A 539 8.389 -38.621 -20.216 1.00 72.21 O ATOM 164 CB ILE A 539 10.702 -36.995 -18.423 1.00 12.53 C ATOM 165 CG1 ILE A 539 12.122 -37.560 -18.607 1.00 64.44 C ATOM 166 CG2 ILE A 539 9.862 -37.832 -17.402 1.00 12.43 C ATOM 167 CD1 ILE A 539 12.319 -38.986 -18.074 1.00 5.31 C ATOM 0 H ILE A 539 7.914 -36.532 -19.368 1.00 23.33 H new ATOM 0 HA ILE A 539 10.616 -36.347 -20.508 1.00 31.21 H new ATOM 0 HB ILE A 539 10.819 -35.997 -18.000 1.00 12.53 H new ATOM 0 HG12 ILE A 539 12.369 -37.546 -19.669 1.00 64.44 H new ATOM 0 HG13 ILE A 539 12.829 -36.899 -18.106 1.00 64.44 H new ATOM 0 HG21 ILE A 539 10.413 -37.924 -16.466 1.00 12.43 H new ATOM 0 HG22 ILE A 539 8.912 -37.331 -17.216 1.00 12.43 H new ATOM 0 HG23 ILE A 539 9.675 -38.825 -17.812 1.00 12.43 H new ATOM 0 HD11 ILE A 539 13.348 -39.300 -18.247 1.00 5.31 H new ATOM 0 HD12 ILE A 539 12.108 -39.007 -17.005 1.00 5.31 H new ATOM 0 HD13 ILE A 539 11.641 -39.665 -18.591 1.00 5.31 H new ATOM 179 N HIS A 540 10.483 -38.948 -20.925 1.00 61.25 N ATOM 180 CA HIS A 540 10.265 -40.341 -21.322 1.00 62.22 C ATOM 181 C HIS A 540 11.420 -41.185 -20.785 1.00 21.44 C ATOM 182 O HIS A 540 12.579 -40.808 -20.954 1.00 61.14 O ATOM 183 CB HIS A 540 10.231 -40.492 -22.849 1.00 2.42 C ATOM 184 CG HIS A 540 8.940 -40.069 -23.479 1.00 40.44 C ATOM 185 ND1 HIS A 540 8.294 -40.819 -24.464 1.00 32.41 N ATOM 186 CD2 HIS A 540 8.137 -38.985 -23.297 1.00 11.10 C ATOM 187 CE1 HIS A 540 7.179 -40.202 -24.817 1.00 53.31 C ATOM 188 NE2 HIS A 540 7.065 -39.097 -24.129 1.00 35.53 N ATOM 0 H HIS A 540 11.417 -38.597 -21.137 1.00 61.25 H new ATOM 0 HA HIS A 540 9.307 -40.667 -20.918 1.00 62.22 H new ATOM 0 HB2 HIS A 540 11.042 -39.904 -23.279 1.00 2.42 H new ATOM 0 HB3 HIS A 540 10.423 -41.534 -23.104 1.00 2.42 H new ATOM 0 HD2 HIS A 540 8.319 -38.173 -22.609 1.00 11.10 H new ATOM 0 HE1 HIS A 540 6.475 -40.555 -25.556 1.00 53.31 H new ATOM 0 HE2 HIS A 540 6.299 -38.428 -24.203 1.00 35.53 H new ATOM 196 N VAL A 541 11.109 -42.317 -20.168 1.00 33.15 N ATOM 197 CA VAL A 541 12.132 -43.308 -19.763 1.00 30.02 C ATOM 198 C VAL A 541 11.808 -44.668 -20.373 1.00 13.13 C ATOM 199 O VAL A 541 10.766 -44.853 -20.971 1.00 51.50 O ATOM 200 CB VAL A 541 12.243 -43.512 -18.205 1.00 72.31 C ATOM 201 CG1 VAL A 541 12.692 -42.256 -17.524 1.00 41.12 C ATOM 202 CG2 VAL A 541 10.918 -43.996 -17.596 1.00 52.02 C ATOM 0 H VAL A 541 10.154 -42.585 -19.930 1.00 33.15 H new ATOM 0 HA VAL A 541 13.080 -42.907 -20.122 1.00 30.02 H new ATOM 0 HB VAL A 541 12.993 -44.286 -18.042 1.00 72.31 H new ATOM 0 HG11 VAL A 541 12.759 -42.429 -16.450 1.00 41.12 H new ATOM 0 HG12 VAL A 541 13.670 -41.964 -17.906 1.00 41.12 H new ATOM 0 HG13 VAL A 541 11.974 -41.460 -17.719 1.00 41.12 H new ATOM 0 HG21 VAL A 541 11.037 -44.124 -16.520 1.00 52.02 H new ATOM 0 HG22 VAL A 541 10.138 -43.259 -17.789 1.00 52.02 H new ATOM 0 HG23 VAL A 541 10.637 -44.948 -18.046 1.00 52.02 H new ATOM 212 N SER A 542 12.694 -45.619 -20.131 1.00 73.25 N ATOM 213 CA SER A 542 12.486 -47.028 -20.459 1.00 22.14 C ATOM 214 C SER A 542 12.656 -47.719 -19.117 1.00 73.00 C ATOM 215 O SER A 542 13.241 -47.145 -18.216 1.00 41.12 O ATOM 216 CB SER A 542 13.548 -47.512 -21.456 1.00 73.42 C ATOM 217 OG SER A 542 13.590 -48.929 -21.560 1.00 71.20 O ATOM 0 H SER A 542 13.597 -45.435 -19.693 1.00 73.25 H new ATOM 0 HA SER A 542 11.521 -47.226 -20.926 1.00 22.14 H new ATOM 0 HB2 SER A 542 13.342 -47.085 -22.437 1.00 73.42 H new ATOM 0 HB3 SER A 542 14.526 -47.144 -21.147 1.00 73.42 H new ATOM 0 HG SER A 542 12.690 -49.294 -21.428 1.00 71.20 H new ATOM 223 N GLU A 543 12.182 -48.940 -18.999 1.00 51.03 N ATOM 224 CA GLU A 543 12.305 -49.765 -17.807 1.00 45.12 C ATOM 225 C GLU A 543 13.784 -50.024 -17.539 1.00 34.54 C ATOM 226 O GLU A 543 14.265 -50.008 -16.402 1.00 43.42 O ATOM 227 CB GLU A 543 11.599 -51.115 -18.059 1.00 21.22 C ATOM 228 CG GLU A 543 10.208 -51.032 -18.753 1.00 52.12 C ATOM 229 CD GLU A 543 10.265 -50.756 -20.285 1.00 11.23 C ATOM 230 OE1 GLU A 543 11.377 -50.708 -20.875 1.00 60.22 O ATOM 231 OE2 GLU A 543 9.212 -50.412 -20.847 1.00 53.34 O ATOM 0 H GLU A 543 11.681 -49.407 -19.755 1.00 51.03 H new ATOM 0 HA GLU A 543 11.852 -49.260 -16.953 1.00 45.12 H new ATOM 0 HB2 GLU A 543 12.253 -51.737 -18.670 1.00 21.22 H new ATOM 0 HB3 GLU A 543 11.477 -51.624 -17.103 1.00 21.22 H new ATOM 0 HG2 GLU A 543 9.676 -51.968 -18.585 1.00 52.12 H new ATOM 0 HG3 GLU A 543 9.625 -50.244 -18.276 1.00 52.12 H new ATOM 238 N SER A 544 14.504 -50.199 -18.636 1.00 54.10 N ATOM 239 CA SER A 544 15.922 -50.541 -18.636 1.00 45.10 C ATOM 240 C SER A 544 16.824 -49.448 -18.075 1.00 22.31 C ATOM 241 O SER A 544 18.021 -49.659 -17.878 1.00 1.45 O ATOM 242 CB SER A 544 16.351 -50.841 -20.067 1.00 14.25 C ATOM 243 OG SER A 544 15.498 -51.812 -20.648 1.00 61.53 O ATOM 0 H SER A 544 14.112 -50.106 -19.573 1.00 54.10 H new ATOM 0 HA SER A 544 16.035 -51.406 -17.982 1.00 45.10 H new ATOM 0 HB2 SER A 544 16.327 -49.926 -20.659 1.00 14.25 H new ATOM 0 HB3 SER A 544 17.380 -51.200 -20.077 1.00 14.25 H new ATOM 0 HG SER A 544 15.786 -51.992 -21.567 1.00 61.53 H new ATOM 249 N ILE A 545 16.257 -48.284 -17.801 1.00 4.23 N ATOM 250 CA ILE A 545 17.005 -47.199 -17.188 1.00 63.13 C ATOM 251 C ILE A 545 17.382 -47.576 -15.749 1.00 65.25 C ATOM 252 O ILE A 545 18.338 -47.035 -15.179 1.00 45.10 O ATOM 253 CB ILE A 545 16.159 -45.897 -17.185 1.00 44.03 C ATOM 254 CG1 ILE A 545 17.085 -44.687 -17.001 1.00 54.11 C ATOM 255 CG2 ILE A 545 15.030 -45.972 -16.117 1.00 35.21 C ATOM 256 CD1 ILE A 545 16.370 -43.402 -16.691 1.00 62.23 C ATOM 0 H ILE A 545 15.279 -48.066 -17.994 1.00 4.23 H new ATOM 0 HA ILE A 545 17.913 -47.028 -17.766 1.00 63.13 H new ATOM 0 HB ILE A 545 15.655 -45.780 -18.144 1.00 44.03 H new ATOM 0 HG12 ILE A 545 17.788 -44.901 -16.196 1.00 54.11 H new ATOM 0 HG13 ILE A 545 17.672 -44.552 -17.909 1.00 54.11 H new ATOM 0 HG21 ILE A 545 14.451 -45.049 -16.134 1.00 35.21 H new ATOM 0 HG22 ILE A 545 14.375 -46.815 -16.338 1.00 35.21 H new ATOM 0 HG23 ILE A 545 15.472 -46.105 -15.129 1.00 35.21 H new ATOM 0 HD11 ILE A 545 17.098 -42.599 -16.577 1.00 62.23 H new ATOM 0 HD12 ILE A 545 15.688 -43.160 -17.506 1.00 62.23 H new ATOM 0 HD13 ILE A 545 15.805 -43.514 -15.766 1.00 62.23 H new ATOM 268 N GLY A 546 16.618 -48.478 -15.144 1.00 1.43 N ATOM 269 CA GLY A 546 16.859 -48.842 -13.764 1.00 21.42 C ATOM 270 C GLY A 546 16.232 -47.875 -12.796 1.00 24.01 C ATOM 271 O GLY A 546 15.347 -48.219 -12.015 1.00 12.01 O ATOM 0 H GLY A 546 15.837 -48.963 -15.586 1.00 1.43 H new ATOM 0 HA2 GLY A 546 16.465 -49.842 -13.581 1.00 21.42 H new ATOM 0 HA3 GLY A 546 17.933 -48.885 -13.585 1.00 21.42 H new ATOM 275 N VAL A 547 16.734 -46.653 -12.811 1.00 64.42 N ATOM 276 CA VAL A 547 16.295 -45.635 -11.876 1.00 2.42 C ATOM 277 C VAL A 547 16.162 -44.284 -12.581 1.00 1.44 C ATOM 278 O VAL A 547 17.137 -43.735 -13.090 1.00 74.41 O ATOM 279 CB VAL A 547 17.305 -45.511 -10.708 1.00 0.33 C ATOM 280 CG1 VAL A 547 16.844 -44.456 -9.708 1.00 44.54 C ATOM 281 CG2 VAL A 547 17.481 -46.857 -9.979 1.00 32.32 C ATOM 0 H VAL A 547 17.451 -46.341 -13.466 1.00 64.42 H new ATOM 0 HA VAL A 547 15.322 -45.928 -11.482 1.00 2.42 H new ATOM 0 HB VAL A 547 18.262 -45.213 -11.135 1.00 0.33 H new ATOM 0 HG11 VAL A 547 17.567 -44.384 -8.895 1.00 44.54 H new ATOM 0 HG12 VAL A 547 16.764 -43.491 -10.208 1.00 44.54 H new ATOM 0 HG13 VAL A 547 15.871 -44.738 -9.304 1.00 44.54 H new ATOM 0 HG21 VAL A 547 18.196 -46.739 -9.164 1.00 32.32 H new ATOM 0 HG22 VAL A 547 16.521 -47.181 -9.576 1.00 32.32 H new ATOM 0 HG23 VAL A 547 17.851 -47.605 -10.680 1.00 32.32 H new ATOM 291 N MET A 548 14.951 -43.749 -12.591 1.00 30.42 N ATOM 292 CA MET A 548 14.673 -42.443 -13.177 1.00 22.10 C ATOM 293 C MET A 548 15.011 -41.355 -12.156 1.00 20.23 C ATOM 294 O MET A 548 14.985 -41.608 -10.945 1.00 40.45 O ATOM 295 CB MET A 548 13.203 -42.361 -13.619 1.00 23.42 C ATOM 296 CG MET A 548 12.228 -41.893 -12.530 1.00 53.32 C ATOM 297 SD MET A 548 12.070 -40.101 -12.426 1.00 65.35 S ATOM 298 CE MET A 548 11.552 -39.689 -14.109 1.00 2.52 C ATOM 0 H MET A 548 14.131 -44.207 -12.193 1.00 30.42 H new ATOM 0 HA MET A 548 15.290 -42.294 -14.063 1.00 22.10 H new ATOM 0 HB2 MET A 548 13.131 -41.681 -14.468 1.00 23.42 H new ATOM 0 HB3 MET A 548 12.889 -43.344 -13.970 1.00 23.42 H new ATOM 0 HG2 MET A 548 11.246 -42.325 -12.723 1.00 53.32 H new ATOM 0 HG3 MET A 548 12.562 -42.277 -11.566 1.00 53.32 H new ATOM 0 HE1 MET A 548 10.803 -38.897 -14.076 1.00 2.52 H new ATOM 0 HE2 MET A 548 12.415 -39.349 -14.682 1.00 2.52 H new ATOM 0 HE3 MET A 548 11.125 -40.572 -14.585 1.00 2.52 H new ATOM 308 N GLU A 549 15.341 -40.164 -12.637 1.00 33.15 N ATOM 309 CA GLU A 549 15.606 -39.025 -11.758 1.00 32.10 C ATOM 310 C GLU A 549 14.962 -37.753 -12.283 1.00 2.34 C ATOM 311 O GLU A 549 14.994 -37.485 -13.484 1.00 35.43 O ATOM 312 CB GLU A 549 17.112 -38.765 -11.588 1.00 5.22 C ATOM 313 CG GLU A 549 17.500 -38.607 -10.151 1.00 25.02 C ATOM 314 CD GLU A 549 19.014 -38.559 -9.915 1.00 64.44 C ATOM 315 OE1 GLU A 549 19.795 -38.572 -10.886 1.00 41.42 O ATOM 316 OE2 GLU A 549 19.427 -38.568 -8.731 1.00 1.32 O ATOM 0 H GLU A 549 15.433 -39.958 -13.632 1.00 33.15 H new ATOM 0 HA GLU A 549 15.174 -39.288 -10.793 1.00 32.10 H new ATOM 0 HB2 GLU A 549 17.673 -39.591 -12.025 1.00 5.22 H new ATOM 0 HB3 GLU A 549 17.388 -37.865 -12.138 1.00 5.22 H new ATOM 0 HG2 GLU A 549 17.053 -37.692 -9.763 1.00 25.02 H new ATOM 0 HG3 GLU A 549 17.080 -39.434 -9.579 1.00 25.02 H new ATOM 323 N VAL A 550 14.444 -36.931 -11.376 1.00 24.12 N ATOM 324 CA VAL A 550 13.968 -35.592 -11.733 1.00 52.53 C ATOM 325 C VAL A 550 14.796 -34.623 -10.937 1.00 60.41 C ATOM 326 O VAL A 550 15.116 -34.889 -9.783 1.00 13.24 O ATOM 327 CB VAL A 550 12.439 -35.367 -11.431 1.00 50.54 C ATOM 328 CG1 VAL A 550 11.698 -36.651 -11.581 1.00 41.15 C ATOM 329 CG2 VAL A 550 12.182 -34.781 -10.026 1.00 73.22 C ATOM 0 H VAL A 550 14.342 -37.165 -10.388 1.00 24.12 H new ATOM 0 HA VAL A 550 14.074 -35.451 -12.809 1.00 52.53 H new ATOM 0 HB VAL A 550 12.079 -34.635 -12.154 1.00 50.54 H new ATOM 0 HG11 VAL A 550 10.641 -36.488 -11.371 1.00 41.15 H new ATOM 0 HG12 VAL A 550 11.812 -37.020 -12.600 1.00 41.15 H new ATOM 0 HG13 VAL A 550 12.098 -37.386 -10.882 1.00 41.15 H new ATOM 0 HG21 VAL A 550 11.110 -34.649 -9.877 1.00 73.22 H new ATOM 0 HG22 VAL A 550 12.572 -35.463 -9.270 1.00 73.22 H new ATOM 0 HG23 VAL A 550 12.682 -33.817 -9.937 1.00 73.22 H new ATOM 339 N LYS A 551 15.139 -33.496 -11.531 1.00 30.00 N ATOM 340 CA LYS A 551 15.836 -32.450 -10.799 1.00 22.41 C ATOM 341 C LYS A 551 14.788 -31.502 -10.243 1.00 14.11 C ATOM 342 O LYS A 551 13.916 -31.006 -10.961 1.00 12.02 O ATOM 343 CB LYS A 551 16.847 -31.734 -11.687 1.00 44.22 C ATOM 344 CG LYS A 551 18.193 -32.467 -11.739 1.00 41.12 C ATOM 345 CD LYS A 551 19.112 -31.909 -12.811 1.00 45.43 C ATOM 346 CE LYS A 551 18.868 -32.600 -14.152 1.00 33.22 C ATOM 347 NZ LYS A 551 19.255 -31.711 -15.295 1.00 65.53 N ATOM 0 H LYS A 551 14.950 -33.280 -12.510 1.00 30.00 H new ATOM 0 HA LYS A 551 16.413 -32.877 -9.979 1.00 22.41 H new ATOM 0 HB2 LYS A 551 16.444 -31.646 -12.696 1.00 44.22 H new ATOM 0 HB3 LYS A 551 17.001 -30.721 -11.316 1.00 44.22 H new ATOM 0 HG2 LYS A 551 18.683 -32.392 -10.768 1.00 41.12 H new ATOM 0 HG3 LYS A 551 18.020 -33.527 -11.927 1.00 41.12 H new ATOM 0 HD2 LYS A 551 18.947 -30.837 -12.915 1.00 45.43 H new ATOM 0 HD3 LYS A 551 20.151 -32.044 -12.511 1.00 45.43 H new ATOM 0 HE2 LYS A 551 19.441 -33.526 -14.197 1.00 33.22 H new ATOM 0 HE3 LYS A 551 17.816 -32.872 -14.239 1.00 33.22 H new ATOM 0 HZ1 LYS A 551 18.839 -32.076 -16.175 1.00 65.53 H new ATOM 0 HZ2 LYS A 551 18.904 -30.748 -15.120 1.00 65.53 H new ATOM 0 HZ3 LYS A 551 20.291 -31.691 -15.384 1.00 65.53 H new ATOM 361 N VAL A 552 14.865 -31.308 -8.940 1.00 31.03 N ATOM 362 CA VAL A 552 13.946 -30.456 -8.198 1.00 32.43 C ATOM 363 C VAL A 552 14.676 -29.166 -7.970 1.00 43.13 C ATOM 364 O VAL A 552 15.862 -29.176 -7.632 1.00 43.14 O ATOM 365 CB VAL A 552 13.588 -31.017 -6.803 1.00 63.41 C ATOM 366 CG1 VAL A 552 12.431 -30.188 -6.179 1.00 65.21 C ATOM 367 CG2 VAL A 552 13.198 -32.482 -6.881 1.00 31.40 C ATOM 0 H VAL A 552 15.578 -31.744 -8.355 1.00 31.03 H new ATOM 0 HA VAL A 552 13.021 -30.364 -8.767 1.00 32.43 H new ATOM 0 HB VAL A 552 14.471 -30.938 -6.169 1.00 63.41 H new ATOM 0 HG11 VAL A 552 12.185 -30.590 -5.196 1.00 65.21 H new ATOM 0 HG12 VAL A 552 12.742 -29.148 -6.079 1.00 65.21 H new ATOM 0 HG13 VAL A 552 11.554 -30.244 -6.824 1.00 65.21 H new ATOM 0 HG21 VAL A 552 12.952 -32.847 -5.884 1.00 31.40 H new ATOM 0 HG22 VAL A 552 12.331 -32.594 -7.532 1.00 31.40 H new ATOM 0 HG23 VAL A 552 14.031 -33.059 -7.283 1.00 31.40 H new ATOM 377 N LEU A 553 13.986 -28.063 -8.174 1.00 71.11 N ATOM 378 CA LEU A 553 14.594 -26.758 -8.099 1.00 22.22 C ATOM 379 C LEU A 553 13.931 -25.913 -7.032 1.00 1.24 C ATOM 380 O LEU A 553 12.769 -26.135 -6.680 1.00 72.20 O ATOM 381 CB LEU A 553 14.438 -26.056 -9.446 1.00 33.34 C ATOM 382 CG LEU A 553 14.689 -26.908 -10.705 1.00 33.32 C ATOM 383 CD1 LEU A 553 14.446 -26.023 -11.911 1.00 3.44 C ATOM 384 CD2 LEU A 553 16.097 -27.527 -10.725 1.00 33.01 C ATOM 0 H LEU A 553 12.990 -28.049 -8.396 1.00 71.11 H new ATOM 0 HA LEU A 553 15.647 -26.881 -7.848 1.00 22.22 H new ATOM 0 HB2 LEU A 553 13.427 -25.653 -9.504 1.00 33.34 H new ATOM 0 HB3 LEU A 553 15.121 -25.207 -9.468 1.00 33.34 H new ATOM 0 HG LEU A 553 14.005 -27.757 -10.715 1.00 33.32 H new ATOM 0 HD11 LEU A 553 14.615 -26.596 -12.823 1.00 3.44 H new ATOM 0 HD12 LEU A 553 13.418 -25.661 -11.895 1.00 3.44 H new ATOM 0 HD13 LEU A 553 15.130 -25.175 -11.883 1.00 3.44 H new ATOM 0 HD21 LEU A 553 16.222 -28.117 -11.633 1.00 33.01 H new ATOM 0 HD22 LEU A 553 16.844 -26.733 -10.702 1.00 33.01 H new ATOM 0 HD23 LEU A 553 16.224 -28.170 -9.854 1.00 33.01 H new ATOM 396 N ARG A 554 14.643 -24.890 -6.589 1.00 51.21 N ATOM 397 CA ARG A 554 14.091 -23.865 -5.704 1.00 53.21 C ATOM 398 C ARG A 554 14.543 -22.530 -6.278 1.00 21.22 C ATOM 399 O ARG A 554 15.687 -22.390 -6.678 1.00 71.10 O ATOM 400 CB ARG A 554 14.564 -24.044 -4.248 1.00 3.40 C ATOM 401 CG ARG A 554 14.225 -22.835 -3.364 1.00 50.34 C ATOM 402 CD ARG A 554 14.095 -23.142 -1.877 1.00 12.13 C ATOM 403 NE ARG A 554 15.357 -23.529 -1.215 1.00 72.21 N ATOM 404 CZ ARG A 554 15.682 -23.234 0.044 1.00 54.01 C ATOM 405 NH1 ARG A 554 14.907 -22.521 0.824 1.00 14.51 N ATOM 406 NH2 ARG A 554 16.802 -23.650 0.537 1.00 31.54 N ATOM 0 H ARG A 554 15.623 -24.742 -6.831 1.00 51.21 H new ATOM 0 HA ARG A 554 13.004 -23.932 -5.662 1.00 53.21 H new ATOM 0 HB2 ARG A 554 14.103 -24.938 -3.827 1.00 3.40 H new ATOM 0 HB3 ARG A 554 15.642 -24.206 -4.237 1.00 3.40 H new ATOM 0 HG2 ARG A 554 14.998 -22.078 -3.497 1.00 50.34 H new ATOM 0 HG3 ARG A 554 13.289 -22.400 -3.713 1.00 50.34 H new ATOM 0 HD2 ARG A 554 13.690 -22.265 -1.373 1.00 12.13 H new ATOM 0 HD3 ARG A 554 13.371 -23.947 -1.748 1.00 12.13 H new ATOM 0 HE ARG A 554 16.032 -24.063 -1.763 1.00 72.21 H new ATOM 0 HH11 ARG A 554 14.016 -22.169 0.474 1.00 14.51 H new ATOM 0 HH12 ARG A 554 15.195 -22.319 1.781 1.00 14.51 H new ATOM 0 HH21 ARG A 554 17.437 -24.204 -0.037 1.00 31.54 H new ATOM 0 HH22 ARG A 554 17.050 -23.424 1.500 1.00 31.54 H new ATOM 420 N THR A 555 13.638 -21.562 -6.344 1.00 0.05 N ATOM 421 CA THR A 555 13.974 -20.235 -6.881 1.00 23.31 C ATOM 422 C THR A 555 14.983 -19.514 -5.967 1.00 33.44 C ATOM 423 O THR A 555 15.315 -20.001 -4.883 1.00 34.10 O ATOM 424 CB THR A 555 12.692 -19.361 -7.076 1.00 51.44 C ATOM 425 OG1 THR A 555 12.991 -18.257 -7.936 1.00 10.15 O ATOM 426 CG2 THR A 555 12.164 -18.802 -5.751 1.00 11.03 C ATOM 0 H THR A 555 12.671 -21.662 -6.037 1.00 0.05 H new ATOM 0 HA THR A 555 14.435 -20.381 -7.858 1.00 23.31 H new ATOM 0 HB THR A 555 11.928 -20.006 -7.510 1.00 51.44 H new ATOM 0 HG1 THR A 555 12.187 -17.711 -8.059 1.00 10.15 H new ATOM 0 HG21 THR A 555 11.273 -18.202 -5.938 1.00 11.03 H new ATOM 0 HG22 THR A 555 11.913 -19.626 -5.083 1.00 11.03 H new ATOM 0 HG23 THR A 555 12.930 -18.180 -5.288 1.00 11.03 H new ATOM 434 N SER A 556 15.424 -18.329 -6.374 1.00 10.21 N ATOM 435 CA SER A 556 16.412 -17.532 -5.626 1.00 42.12 C ATOM 436 C SER A 556 15.916 -16.992 -4.277 1.00 45.34 C ATOM 437 O SER A 556 16.629 -16.274 -3.579 1.00 3.34 O ATOM 438 CB SER A 556 16.862 -16.367 -6.503 1.00 1.31 C ATOM 439 OG SER A 556 15.739 -15.602 -6.906 1.00 73.21 O ATOM 0 H SER A 556 15.109 -17.884 -7.236 1.00 10.21 H new ATOM 0 HA SER A 556 17.234 -18.207 -5.386 1.00 42.12 H new ATOM 0 HB2 SER A 556 17.563 -15.738 -5.955 1.00 1.31 H new ATOM 0 HB3 SER A 556 17.390 -16.743 -7.379 1.00 1.31 H new ATOM 0 HG SER A 556 16.036 -14.855 -7.467 1.00 73.21 H new ATOM 445 N GLY A 557 14.734 -17.434 -3.880 1.00 61.50 N ATOM 446 CA GLY A 557 14.166 -17.162 -2.572 1.00 21.42 C ATOM 447 C GLY A 557 14.709 -18.152 -1.554 1.00 31.33 C ATOM 448 O GLY A 557 14.096 -18.410 -0.549 1.00 34.32 O ATOM 0 H GLY A 557 14.130 -18.004 -4.472 1.00 61.50 H new ATOM 0 HA2 GLY A 557 14.407 -16.144 -2.266 1.00 21.42 H new ATOM 0 HA3 GLY A 557 13.079 -17.232 -2.616 1.00 21.42 H new ATOM 452 N ALA A 558 15.822 -18.799 -1.853 1.00 33.23 N ATOM 453 CA ALA A 558 16.330 -19.865 -0.995 1.00 34.03 C ATOM 454 C ALA A 558 16.895 -19.389 0.345 1.00 21.02 C ATOM 455 O ALA A 558 18.104 -19.244 0.528 1.00 74.35 O ATOM 456 CB ALA A 558 17.339 -20.648 -1.730 1.00 23.12 C ATOM 0 H ALA A 558 16.391 -18.609 -2.678 1.00 33.23 H new ATOM 0 HA ALA A 558 15.471 -20.485 -0.738 1.00 34.03 H new ATOM 0 HB1 ALA A 558 17.719 -21.444 -1.090 1.00 23.12 H new ATOM 0 HB2 ALA A 558 16.884 -21.084 -2.620 1.00 23.12 H new ATOM 0 HB3 ALA A 558 18.161 -19.996 -2.025 1.00 23.12 H new ATOM 462 N ARG A 559 15.999 -19.162 1.285 1.00 0.12 N ATOM 463 CA ARG A 559 16.346 -18.709 2.618 1.00 43.34 C ATOM 464 C ARG A 559 16.184 -19.876 3.576 1.00 60.31 C ATOM 465 O ARG A 559 15.093 -20.419 3.722 1.00 14.52 O ATOM 466 CB ARG A 559 15.421 -17.547 3.013 1.00 42.15 C ATOM 467 CG ARG A 559 15.400 -16.360 2.010 1.00 13.24 C ATOM 468 CD ARG A 559 16.738 -15.605 1.932 1.00 14.43 C ATOM 469 NE ARG A 559 17.660 -16.201 0.944 1.00 32.34 N ATOM 470 CZ ARG A 559 17.615 -16.000 -0.367 1.00 23.31 C ATOM 471 NH1 ARG A 559 16.732 -15.220 -0.928 1.00 64.21 N ATOM 472 NH2 ARG A 559 18.470 -16.610 -1.136 1.00 22.35 N ATOM 0 H ARG A 559 14.997 -19.288 1.143 1.00 0.12 H new ATOM 0 HA ARG A 559 17.377 -18.356 2.652 1.00 43.34 H new ATOM 0 HB2 ARG A 559 14.406 -17.930 3.122 1.00 42.15 H new ATOM 0 HB3 ARG A 559 15.727 -17.173 3.990 1.00 42.15 H new ATOM 0 HG2 ARG A 559 15.144 -16.735 1.019 1.00 13.24 H new ATOM 0 HG3 ARG A 559 14.614 -15.663 2.299 1.00 13.24 H new ATOM 0 HD2 ARG A 559 16.551 -14.564 1.669 1.00 14.43 H new ATOM 0 HD3 ARG A 559 17.211 -15.606 2.914 1.00 14.43 H new ATOM 0 HE ARG A 559 18.391 -16.818 1.298 1.00 32.34 H new ATOM 0 HH11 ARG A 559 16.041 -14.737 -0.354 1.00 64.21 H new ATOM 0 HH12 ARG A 559 16.733 -15.094 -1.940 1.00 64.21 H new ATOM 0 HH21 ARG A 559 19.166 -17.235 -0.730 1.00 22.35 H new ATOM 0 HH22 ARG A 559 18.444 -16.463 -2.145 1.00 22.35 H new ATOM 486 N GLY A 560 17.275 -20.283 4.198 1.00 21.21 N ATOM 487 CA GLY A 560 17.218 -21.337 5.190 1.00 2.24 C ATOM 488 C GLY A 560 17.067 -22.726 4.625 1.00 34.13 C ATOM 489 O GLY A 560 17.281 -22.966 3.422 1.00 1.32 O ATOM 0 H GLY A 560 18.206 -19.901 4.034 1.00 21.21 H new ATOM 0 HA2 GLY A 560 18.126 -21.301 5.791 1.00 2.24 H new ATOM 0 HA3 GLY A 560 16.383 -21.140 5.862 1.00 2.24 H new ATOM 493 N THR A 561 16.687 -23.640 5.500 1.00 11.35 N ATOM 494 CA THR A 561 16.563 -25.056 5.165 1.00 2.14 C ATOM 495 C THR A 561 15.118 -25.455 5.202 1.00 23.11 C ATOM 496 O THR A 561 14.402 -25.135 6.118 1.00 1.53 O ATOM 497 CB THR A 561 17.330 -25.961 6.159 1.00 52.44 C ATOM 498 OG1 THR A 561 18.717 -25.614 6.128 1.00 33.24 O ATOM 499 CG2 THR A 561 17.200 -27.431 5.820 1.00 52.30 C ATOM 0 H THR A 561 16.454 -23.424 6.469 1.00 11.35 H new ATOM 0 HA THR A 561 16.988 -25.188 4.170 1.00 2.14 H new ATOM 0 HB THR A 561 16.898 -25.801 7.147 1.00 52.44 H new ATOM 0 HG1 THR A 561 18.919 -25.006 6.869 1.00 33.24 H new ATOM 0 HG21 THR A 561 17.756 -28.023 6.547 1.00 52.30 H new ATOM 0 HG22 THR A 561 16.149 -27.719 5.846 1.00 52.30 H new ATOM 0 HG23 THR A 561 17.601 -27.611 4.823 1.00 52.30 H new ATOM 507 N VAL A 562 14.692 -26.156 4.179 1.00 5.44 N ATOM 508 CA VAL A 562 13.344 -26.669 4.061 1.00 75.33 C ATOM 509 C VAL A 562 13.497 -28.133 3.687 1.00 34.51 C ATOM 510 O VAL A 562 14.490 -28.512 3.101 1.00 34.41 O ATOM 511 CB VAL A 562 12.507 -25.818 3.030 1.00 12.24 C ATOM 512 CG1 VAL A 562 13.387 -24.901 2.225 1.00 11.44 C ATOM 513 CG2 VAL A 562 11.646 -26.667 2.114 1.00 34.44 C ATOM 0 H VAL A 562 15.286 -26.393 3.385 1.00 5.44 H new ATOM 0 HA VAL A 562 12.776 -26.590 4.988 1.00 75.33 H new ATOM 0 HB VAL A 562 11.829 -25.212 3.631 1.00 12.24 H new ATOM 0 HG11 VAL A 562 12.775 -24.331 1.526 1.00 11.44 H new ATOM 0 HG12 VAL A 562 13.907 -24.216 2.894 1.00 11.44 H new ATOM 0 HG13 VAL A 562 14.117 -25.491 1.671 1.00 11.44 H new ATOM 0 HG21 VAL A 562 11.096 -26.021 1.430 1.00 34.44 H new ATOM 0 HG22 VAL A 562 12.281 -27.344 1.543 1.00 34.44 H new ATOM 0 HG23 VAL A 562 10.942 -27.246 2.711 1.00 34.44 H new ATOM 523 N ILE A 563 12.539 -28.955 4.068 1.00 32.20 N ATOM 524 CA ILE A 563 12.533 -30.358 3.733 1.00 61.05 C ATOM 525 C ILE A 563 11.326 -30.535 2.796 1.00 1.30 C ATOM 526 O ILE A 563 10.305 -29.860 2.978 1.00 11.23 O ATOM 527 CB ILE A 563 12.459 -31.215 5.022 1.00 73.15 C ATOM 528 CG1 ILE A 563 13.196 -32.530 4.821 1.00 62.22 C ATOM 529 CG2 ILE A 563 11.009 -31.489 5.455 1.00 60.02 C ATOM 530 CD1 ILE A 563 13.683 -33.140 6.108 1.00 72.15 C ATOM 0 H ILE A 563 11.736 -28.661 4.624 1.00 32.20 H new ATOM 0 HA ILE A 563 13.442 -30.692 3.234 1.00 61.05 H new ATOM 0 HB ILE A 563 12.938 -30.644 5.818 1.00 73.15 H new ATOM 0 HG12 ILE A 563 12.535 -33.236 4.319 1.00 62.22 H new ATOM 0 HG13 ILE A 563 14.047 -32.365 4.160 1.00 62.22 H new ATOM 0 HG21 ILE A 563 11.008 -32.093 6.362 1.00 60.02 H new ATOM 0 HG22 ILE A 563 10.502 -30.544 5.648 1.00 60.02 H new ATOM 0 HG23 ILE A 563 10.488 -32.025 4.662 1.00 60.02 H new ATOM 0 HD11 ILE A 563 14.200 -34.076 5.894 1.00 72.15 H new ATOM 0 HD12 ILE A 563 14.369 -32.451 6.601 1.00 72.15 H new ATOM 0 HD13 ILE A 563 12.833 -33.336 6.762 1.00 72.15 H new ATOM 542 N VAL A 564 11.441 -31.350 1.758 1.00 2.31 N ATOM 543 CA VAL A 564 10.340 -31.500 0.791 1.00 53.53 C ATOM 544 C VAL A 564 10.005 -32.954 0.449 1.00 53.42 C ATOM 545 O VAL A 564 10.811 -33.648 -0.163 1.00 35.21 O ATOM 546 CB VAL A 564 10.631 -30.786 -0.562 1.00 10.23 C ATOM 547 CG1 VAL A 564 9.331 -30.714 -1.403 1.00 64.13 C ATOM 548 CG2 VAL A 564 11.173 -29.383 -0.330 1.00 23.41 C ATOM 0 H VAL A 564 12.267 -31.913 1.557 1.00 2.31 H new ATOM 0 HA VAL A 564 9.496 -31.040 1.305 1.00 53.53 H new ATOM 0 HB VAL A 564 11.385 -31.360 -1.101 1.00 10.23 H new ATOM 0 HG11 VAL A 564 9.537 -30.214 -2.349 1.00 64.13 H new ATOM 0 HG12 VAL A 564 8.967 -31.723 -1.597 1.00 64.13 H new ATOM 0 HG13 VAL A 564 8.573 -30.154 -0.854 1.00 64.13 H new ATOM 0 HG21 VAL A 564 11.368 -28.905 -1.290 1.00 23.41 H new ATOM 0 HG22 VAL A 564 10.440 -28.797 0.225 1.00 23.41 H new ATOM 0 HG23 VAL A 564 12.099 -29.441 0.242 1.00 23.41 H new ATOM 558 N PRO A 565 8.803 -33.425 0.811 1.00 4.12 N ATOM 559 CA PRO A 565 8.401 -34.771 0.401 1.00 5.21 C ATOM 560 C PRO A 565 7.973 -34.912 -1.034 1.00 34.42 C ATOM 561 O PRO A 565 7.446 -33.983 -1.635 1.00 54.40 O ATOM 562 CB PRO A 565 7.202 -35.059 1.315 1.00 41.25 C ATOM 563 CG PRO A 565 6.626 -33.743 1.587 1.00 61.33 C ATOM 564 CD PRO A 565 7.747 -32.764 1.597 1.00 62.11 C ATOM 0 HA PRO A 565 9.247 -35.454 0.485 1.00 5.21 H new ATOM 0 HB2 PRO A 565 6.480 -35.715 0.829 1.00 41.25 H new ATOM 0 HB3 PRO A 565 7.514 -35.554 2.235 1.00 41.25 H new ATOM 0 HG2 PRO A 565 5.892 -33.480 0.825 1.00 61.33 H new ATOM 0 HG3 PRO A 565 6.106 -33.742 2.545 1.00 61.33 H new ATOM 0 HD2 PRO A 565 7.452 -31.814 1.150 1.00 62.11 H new ATOM 0 HD3 PRO A 565 8.080 -32.549 2.612 1.00 62.11 H new ATOM 572 N PHE A 566 8.140 -36.121 -1.544 1.00 21.03 N ATOM 573 CA PHE A 566 7.679 -36.503 -2.858 1.00 13.22 C ATOM 574 C PHE A 566 7.140 -37.908 -2.765 1.00 24.12 C ATOM 575 O PHE A 566 7.439 -38.601 -1.793 1.00 32.31 O ATOM 576 CB PHE A 566 8.856 -36.503 -3.803 1.00 72.42 C ATOM 577 CG PHE A 566 9.968 -37.443 -3.389 1.00 14.22 C ATOM 578 CD1 PHE A 566 10.986 -37.006 -2.518 1.00 74.40 C ATOM 579 CD2 PHE A 566 10.014 -38.761 -3.874 1.00 61.13 C ATOM 580 CE1 PHE A 566 12.036 -37.878 -2.133 1.00 61.25 C ATOM 581 CE2 PHE A 566 11.062 -39.639 -3.496 1.00 4.22 C ATOM 582 CZ PHE A 566 12.074 -39.192 -2.631 1.00 23.32 C ATOM 0 H PHE A 566 8.609 -36.875 -1.042 1.00 21.03 H new ATOM 0 HA PHE A 566 6.913 -35.814 -3.215 1.00 13.22 H new ATOM 0 HB2 PHE A 566 8.511 -36.779 -4.799 1.00 72.42 H new ATOM 0 HB3 PHE A 566 9.255 -35.491 -3.873 1.00 72.42 H new ATOM 0 HD1 PHE A 566 10.966 -35.995 -2.139 1.00 74.40 H new ATOM 0 HD2 PHE A 566 9.241 -39.110 -4.543 1.00 61.13 H new ATOM 0 HE1 PHE A 566 12.805 -37.533 -1.458 1.00 61.25 H new ATOM 0 HE2 PHE A 566 11.082 -40.651 -3.873 1.00 4.22 H new ATOM 0 HZ PHE A 566 12.878 -39.855 -2.349 1.00 23.32 H new ATOM 592 N ARG A 567 6.407 -38.340 -3.783 1.00 22.23 N ATOM 593 CA ARG A 567 5.972 -39.726 -3.894 1.00 14.43 C ATOM 594 C ARG A 567 5.633 -39.986 -5.361 1.00 24.21 C ATOM 595 O ARG A 567 5.305 -39.043 -6.093 1.00 55.23 O ATOM 596 CB ARG A 567 4.768 -39.990 -2.981 1.00 4.51 C ATOM 597 CG ARG A 567 3.530 -39.258 -3.384 1.00 12.50 C ATOM 598 CD ARG A 567 2.625 -40.216 -4.122 1.00 71.04 C ATOM 599 NE ARG A 567 1.770 -40.997 -3.201 1.00 40.24 N ATOM 600 CZ ARG A 567 1.284 -42.219 -3.436 1.00 74.43 C ATOM 601 NH1 ARG A 567 1.481 -42.871 -4.543 1.00 40.00 N ATOM 602 NH2 ARG A 567 0.570 -42.801 -2.515 1.00 12.11 N ATOM 0 H ARG A 567 6.099 -37.743 -4.551 1.00 22.23 H new ATOM 0 HA ARG A 567 6.762 -40.405 -3.572 1.00 14.43 H new ATOM 0 HB2 ARG A 567 4.559 -41.060 -2.972 1.00 4.51 H new ATOM 0 HB3 ARG A 567 5.029 -39.708 -1.961 1.00 4.51 H new ATOM 0 HG2 ARG A 567 3.023 -38.859 -2.505 1.00 12.50 H new ATOM 0 HG3 ARG A 567 3.782 -38.409 -4.020 1.00 12.50 H new ATOM 0 HD2 ARG A 567 1.995 -39.658 -4.815 1.00 71.04 H new ATOM 0 HD3 ARG A 567 3.230 -40.898 -4.720 1.00 71.04 H new ATOM 0 HE ARG A 567 1.531 -40.565 -2.309 1.00 40.24 H new ATOM 0 HH11 ARG A 567 2.033 -42.451 -5.291 1.00 40.00 H new ATOM 0 HH12 ARG A 567 1.083 -43.803 -4.664 1.00 40.00 H new ATOM 0 HH21 ARG A 567 0.390 -42.324 -1.632 1.00 12.11 H new ATOM 0 HH22 ARG A 567 0.191 -43.734 -2.677 1.00 12.11 H new ATOM 616 N THR A 568 5.714 -41.232 -5.783 1.00 74.44 N ATOM 617 CA THR A 568 5.446 -41.613 -7.171 1.00 35.33 C ATOM 618 C THR A 568 3.942 -41.737 -7.336 1.00 54.23 C ATOM 619 O THR A 568 3.284 -42.287 -6.492 1.00 3.42 O ATOM 620 CB THR A 568 6.111 -42.963 -7.457 1.00 60.12 C ATOM 621 OG1 THR A 568 7.509 -42.866 -7.184 1.00 21.44 O ATOM 622 CG2 THR A 568 5.994 -43.402 -8.859 1.00 42.44 C ATOM 0 H THR A 568 5.967 -42.015 -5.180 1.00 74.44 H new ATOM 0 HA THR A 568 5.842 -40.869 -7.862 1.00 35.33 H new ATOM 0 HB THR A 568 5.596 -43.684 -6.822 1.00 60.12 H new ATOM 0 HG1 THR A 568 8.010 -42.904 -8.025 1.00 21.44 H new ATOM 0 HG21 THR A 568 6.489 -44.365 -8.981 1.00 42.44 H new ATOM 0 HG22 THR A 568 4.941 -43.499 -9.123 1.00 42.44 H new ATOM 0 HG23 THR A 568 6.465 -42.666 -9.511 1.00 42.44 H new ATOM 630 N VAL A 569 3.392 -41.167 -8.391 1.00 72.42 N ATOM 631 CA VAL A 569 1.954 -41.131 -8.613 1.00 54.53 C ATOM 632 C VAL A 569 1.703 -41.800 -9.940 1.00 62.24 C ATOM 633 O VAL A 569 1.983 -41.250 -11.003 1.00 10.14 O ATOM 634 CB VAL A 569 1.422 -39.679 -8.691 1.00 74.03 C ATOM 635 CG1 VAL A 569 -0.104 -39.670 -8.924 1.00 0.41 C ATOM 636 CG2 VAL A 569 1.735 -38.899 -7.420 1.00 43.03 C ATOM 0 H VAL A 569 3.933 -40.711 -9.126 1.00 72.42 H new ATOM 0 HA VAL A 569 1.447 -41.629 -7.787 1.00 54.53 H new ATOM 0 HB VAL A 569 1.925 -39.198 -9.530 1.00 74.03 H new ATOM 0 HG11 VAL A 569 -0.458 -38.640 -8.976 1.00 0.41 H new ATOM 0 HG12 VAL A 569 -0.332 -40.180 -9.860 1.00 0.41 H new ATOM 0 HG13 VAL A 569 -0.601 -40.184 -8.101 1.00 0.41 H new ATOM 0 HG21 VAL A 569 1.347 -37.885 -7.511 1.00 43.03 H new ATOM 0 HG22 VAL A 569 1.268 -39.391 -6.567 1.00 43.03 H new ATOM 0 HG23 VAL A 569 2.814 -38.863 -7.272 1.00 43.03 H new ATOM 646 N GLU A 570 1.211 -43.008 -9.872 1.00 65.51 N ATOM 647 CA GLU A 570 0.926 -43.784 -11.057 1.00 13.33 C ATOM 648 C GLU A 570 -0.362 -43.297 -11.727 1.00 20.34 C ATOM 649 O GLU A 570 -1.327 -42.924 -11.055 1.00 52.43 O ATOM 650 CB GLU A 570 0.877 -45.273 -10.699 1.00 13.35 C ATOM 651 CG GLU A 570 0.156 -45.640 -9.396 1.00 3.34 C ATOM 652 CD GLU A 570 1.012 -45.441 -8.139 1.00 64.13 C ATOM 653 OE1 GLU A 570 1.878 -46.299 -7.850 1.00 50.15 O ATOM 654 OE2 GLU A 570 0.805 -44.419 -7.436 1.00 2.32 O ATOM 0 H GLU A 570 0.995 -43.485 -8.996 1.00 65.51 H new ATOM 0 HA GLU A 570 1.725 -43.646 -11.786 1.00 13.33 H new ATOM 0 HB2 GLU A 570 0.393 -45.805 -11.518 1.00 13.35 H new ATOM 0 HB3 GLU A 570 1.900 -45.643 -10.639 1.00 13.35 H new ATOM 0 HG2 GLU A 570 -0.747 -45.036 -9.309 1.00 3.34 H new ATOM 0 HG3 GLU A 570 -0.161 -46.682 -9.448 1.00 3.34 H new ATOM 661 N GLY A 571 -0.336 -43.255 -13.053 1.00 64.43 N ATOM 662 CA GLY A 571 -1.486 -42.825 -13.836 1.00 31.32 C ATOM 663 C GLY A 571 -2.099 -44.045 -14.489 1.00 24.32 C ATOM 664 O GLY A 571 -3.082 -44.589 -13.995 1.00 34.20 O ATOM 0 H GLY A 571 0.476 -43.516 -13.612 1.00 64.43 H new ATOM 0 HA2 GLY A 571 -2.216 -42.329 -13.197 1.00 31.32 H new ATOM 0 HA3 GLY A 571 -1.181 -42.102 -14.593 1.00 31.32 H new ATOM 668 N THR A 572 -1.465 -44.538 -15.548 1.00 53.41 N ATOM 669 CA THR A 572 -1.779 -45.870 -16.071 1.00 43.30 C ATOM 670 C THR A 572 -0.514 -46.692 -15.904 1.00 43.15 C ATOM 671 O THR A 572 0.498 -46.421 -16.549 1.00 65.21 O ATOM 672 CB THR A 572 -2.286 -45.882 -17.550 1.00 22.33 C ATOM 673 OG1 THR A 572 -2.079 -47.181 -18.114 1.00 61.45 O ATOM 674 CG2 THR A 572 -1.578 -44.871 -18.422 1.00 24.42 C ATOM 0 H THR A 572 -0.735 -44.042 -16.060 1.00 53.41 H new ATOM 0 HA THR A 572 -2.619 -46.288 -15.515 1.00 43.30 H new ATOM 0 HB THR A 572 -3.344 -45.621 -17.522 1.00 22.33 H new ATOM 0 HG1 THR A 572 -2.398 -47.190 -19.041 1.00 61.45 H new ATOM 0 HG21 THR A 572 -1.972 -44.926 -19.437 1.00 24.42 H new ATOM 0 HG22 THR A 572 -1.741 -43.870 -18.024 1.00 24.42 H new ATOM 0 HG23 THR A 572 -0.510 -45.087 -18.436 1.00 24.42 H new ATOM 682 N ALA A 573 -0.592 -47.645 -14.987 1.00 63.54 N ATOM 683 CA ALA A 573 0.495 -48.550 -14.622 1.00 62.21 C ATOM 684 C ALA A 573 -0.156 -49.392 -13.533 1.00 74.02 C ATOM 685 O ALA A 573 -1.223 -49.005 -13.044 1.00 55.45 O ATOM 686 CB ALA A 573 1.688 -47.777 -14.046 1.00 65.20 C ATOM 0 H ALA A 573 -1.445 -47.818 -14.455 1.00 63.54 H new ATOM 0 HA ALA A 573 0.889 -49.121 -15.463 1.00 62.21 H new ATOM 0 HB1 ALA A 573 2.482 -48.476 -13.783 1.00 65.20 H new ATOM 0 HB2 ALA A 573 2.058 -47.071 -14.790 1.00 65.20 H new ATOM 0 HB3 ALA A 573 1.373 -47.234 -13.155 1.00 65.20 H new ATOM 692 N LYS A 574 0.459 -50.486 -13.103 1.00 20.22 N ATOM 693 CA LYS A 574 -0.094 -51.233 -11.967 1.00 71.00 C ATOM 694 C LYS A 574 0.325 -50.485 -10.697 1.00 24.54 C ATOM 695 O LYS A 574 -0.410 -50.422 -9.715 1.00 43.42 O ATOM 696 CB LYS A 574 0.384 -52.681 -11.882 1.00 20.33 C ATOM 697 CG LYS A 574 0.943 -53.300 -13.145 1.00 2.11 C ATOM 698 CD LYS A 574 -0.008 -53.363 -14.313 1.00 33.04 C ATOM 699 CE LYS A 574 0.514 -54.383 -15.292 1.00 11.22 C ATOM 700 NZ LYS A 574 1.932 -54.099 -15.742 1.00 62.52 N ATOM 0 H LYS A 574 1.314 -50.871 -13.504 1.00 20.22 H new ATOM 0 HA LYS A 574 -1.176 -51.288 -12.091 1.00 71.00 H new ATOM 0 HB2 LYS A 574 1.151 -52.739 -11.109 1.00 20.33 H new ATOM 0 HB3 LYS A 574 -0.453 -53.294 -11.547 1.00 20.33 H new ATOM 0 HG2 LYS A 574 1.824 -52.734 -13.447 1.00 2.11 H new ATOM 0 HG3 LYS A 574 1.277 -54.312 -12.916 1.00 2.11 H new ATOM 0 HD2 LYS A 574 -1.007 -53.637 -13.975 1.00 33.04 H new ATOM 0 HD3 LYS A 574 -0.090 -52.386 -14.790 1.00 33.04 H new ATOM 0 HE2 LYS A 574 0.475 -55.371 -14.834 1.00 11.22 H new ATOM 0 HE3 LYS A 574 -0.140 -54.410 -16.164 1.00 11.22 H new ATOM 0 HZ1 LYS A 574 1.964 -54.051 -16.780 1.00 62.52 H new ATOM 0 HZ2 LYS A 574 2.247 -53.191 -15.344 1.00 62.52 H new ATOM 0 HZ3 LYS A 574 2.560 -54.859 -15.411 1.00 62.52 H new ATOM 714 N GLY A 575 1.515 -49.893 -10.759 1.00 11.35 N ATOM 715 CA GLY A 575 2.052 -49.120 -9.645 1.00 50.14 C ATOM 716 C GLY A 575 2.585 -49.969 -8.511 1.00 61.15 C ATOM 717 O GLY A 575 2.805 -51.170 -8.664 1.00 24.35 O ATOM 0 H GLY A 575 2.127 -49.935 -11.574 1.00 11.35 H new ATOM 0 HA2 GLY A 575 2.853 -48.478 -10.013 1.00 50.14 H new ATOM 0 HA3 GLY A 575 1.270 -48.465 -9.260 1.00 50.14 H new ATOM 721 N GLY A 576 2.777 -49.353 -7.354 1.00 24.13 N ATOM 722 CA GLY A 576 3.201 -50.093 -6.173 1.00 61.41 C ATOM 723 C GLY A 576 4.638 -50.569 -6.245 1.00 53.41 C ATOM 724 O GLY A 576 5.539 -49.798 -6.002 1.00 32.14 O ATOM 0 H GLY A 576 2.648 -48.352 -7.207 1.00 24.13 H new ATOM 0 HA2 GLY A 576 3.079 -49.460 -5.294 1.00 61.41 H new ATOM 0 HA3 GLY A 576 2.547 -50.955 -6.039 1.00 61.41 H new ATOM 728 N GLY A 577 4.834 -51.861 -6.475 1.00 12.33 N ATOM 729 CA GLY A 577 6.161 -52.433 -6.698 1.00 54.44 C ATOM 730 C GLY A 577 6.232 -53.156 -8.021 1.00 60.02 C ATOM 731 O GLY A 577 7.115 -53.970 -8.218 1.00 42.01 O ATOM 0 H GLY A 577 4.078 -52.545 -6.513 1.00 12.33 H new ATOM 0 HA2 GLY A 577 6.909 -51.641 -6.674 1.00 54.44 H new ATOM 0 HA3 GLY A 577 6.402 -53.124 -5.890 1.00 54.44 H new ATOM 735 N GLU A 578 5.196 -53.003 -8.828 1.00 75.15 N ATOM 736 CA GLU A 578 4.985 -53.871 -9.984 1.00 31.11 C ATOM 737 C GLU A 578 5.526 -53.338 -11.317 1.00 14.21 C ATOM 738 O GLU A 578 6.190 -54.056 -12.036 1.00 30.43 O ATOM 739 CB GLU A 578 3.492 -54.156 -10.047 1.00 4.23 C ATOM 740 CG GLU A 578 3.069 -55.218 -11.033 1.00 4.32 C ATOM 741 CD GLU A 578 1.641 -55.731 -10.759 1.00 1.11 C ATOM 742 OE1 GLU A 578 1.062 -55.383 -9.700 1.00 41.34 O ATOM 743 OE2 GLU A 578 1.088 -56.457 -11.614 1.00 52.32 O ATOM 0 H GLU A 578 4.483 -52.284 -8.707 1.00 75.15 H new ATOM 0 HA GLU A 578 5.569 -54.780 -9.841 1.00 31.11 H new ATOM 0 HB2 GLU A 578 3.155 -54.454 -9.054 1.00 4.23 H new ATOM 0 HB3 GLU A 578 2.974 -53.229 -10.295 1.00 4.23 H new ATOM 0 HG2 GLU A 578 3.120 -54.814 -12.044 1.00 4.32 H new ATOM 0 HG3 GLU A 578 3.768 -56.053 -10.987 1.00 4.32 H new ATOM 750 N ASP A 579 5.259 -52.073 -11.625 1.00 14.21 N ATOM 751 CA ASP A 579 5.780 -51.454 -12.866 1.00 53.45 C ATOM 752 C ASP A 579 6.945 -50.543 -12.516 1.00 52.31 C ATOM 753 O ASP A 579 7.869 -50.320 -13.287 1.00 70.04 O ATOM 754 CB ASP A 579 4.701 -50.610 -13.546 1.00 33.13 C ATOM 755 CG ASP A 579 3.762 -51.430 -14.401 1.00 30.03 C ATOM 756 OD1 ASP A 579 4.029 -52.607 -14.668 1.00 71.05 O ATOM 757 OD2 ASP A 579 2.680 -50.902 -14.733 1.00 12.43 O ATOM 0 H ASP A 579 4.692 -51.452 -11.048 1.00 14.21 H new ATOM 0 HA ASP A 579 6.095 -52.249 -13.542 1.00 53.45 H new ATOM 0 HB2 ASP A 579 4.125 -50.084 -12.784 1.00 33.13 H new ATOM 0 HB3 ASP A 579 5.178 -49.851 -14.165 1.00 33.13 H new ATOM 762 N PHE A 580 6.882 -50.005 -11.316 1.00 12.13 N ATOM 763 CA PHE A 580 7.937 -49.185 -10.762 1.00 51.12 C ATOM 764 C PHE A 580 7.591 -49.150 -9.306 1.00 12.34 C ATOM 765 O PHE A 580 6.457 -49.452 -8.930 1.00 13.54 O ATOM 766 CB PHE A 580 7.964 -47.770 -11.353 1.00 25.03 C ATOM 767 CG PHE A 580 6.616 -47.205 -11.618 1.00 60.15 C ATOM 768 CD1 PHE A 580 5.834 -46.685 -10.572 1.00 13.15 C ATOM 769 CD2 PHE A 580 6.110 -47.189 -12.929 1.00 13.22 C ATOM 770 CE1 PHE A 580 4.556 -46.165 -10.827 1.00 62.44 C ATOM 771 CE2 PHE A 580 4.839 -46.672 -13.198 1.00 31.31 C ATOM 772 CZ PHE A 580 4.055 -46.165 -12.147 1.00 73.10 C ATOM 0 H PHE A 580 6.086 -50.127 -10.690 1.00 12.13 H new ATOM 0 HA PHE A 580 8.928 -49.584 -10.977 1.00 51.12 H new ATOM 0 HB2 PHE A 580 8.496 -47.110 -10.668 1.00 25.03 H new ATOM 0 HB3 PHE A 580 8.530 -47.786 -12.284 1.00 25.03 H new ATOM 0 HD1 PHE A 580 6.220 -46.686 -9.563 1.00 13.15 H new ATOM 0 HD2 PHE A 580 6.709 -47.580 -13.738 1.00 13.22 H new ATOM 0 HE1 PHE A 580 3.960 -45.767 -10.019 1.00 62.44 H new ATOM 0 HE2 PHE A 580 4.461 -46.662 -14.210 1.00 31.31 H new ATOM 0 HZ PHE A 580 3.068 -45.775 -12.350 1.00 73.10 H new ATOM 782 N GLU A 581 8.556 -48.794 -8.485 1.00 23.43 N ATOM 783 CA GLU A 581 8.312 -48.693 -7.056 1.00 30.44 C ATOM 784 C GLU A 581 7.752 -47.328 -6.699 1.00 61.03 C ATOM 785 O GLU A 581 8.246 -46.303 -7.189 1.00 13.34 O ATOM 786 CB GLU A 581 9.594 -48.929 -6.264 1.00 34.33 C ATOM 787 CG GLU A 581 10.077 -50.371 -6.297 1.00 62.24 C ATOM 788 CD GLU A 581 11.316 -50.564 -5.434 1.00 14.20 C ATOM 789 OE1 GLU A 581 11.262 -50.264 -4.218 1.00 33.24 O ATOM 790 OE2 GLU A 581 12.396 -50.869 -5.991 1.00 34.50 O ATOM 0 H GLU A 581 9.508 -48.571 -8.775 1.00 23.43 H new ATOM 0 HA GLU A 581 7.584 -49.461 -6.795 1.00 30.44 H new ATOM 0 HB2 GLU A 581 10.378 -48.283 -6.659 1.00 34.33 H new ATOM 0 HB3 GLU A 581 9.430 -48.634 -5.228 1.00 34.33 H new ATOM 0 HG2 GLU A 581 9.282 -51.030 -5.947 1.00 62.24 H new ATOM 0 HG3 GLU A 581 10.300 -50.658 -7.325 1.00 62.24 H new ATOM 797 N ASP A 582 6.783 -47.299 -5.790 1.00 62.11 N ATOM 798 CA ASP A 582 6.338 -46.037 -5.215 1.00 55.15 C ATOM 799 C ASP A 582 7.482 -45.561 -4.391 1.00 54.40 C ATOM 800 O ASP A 582 7.923 -46.186 -3.424 1.00 63.44 O ATOM 801 CB ASP A 582 5.104 -46.140 -4.353 1.00 60.11 C ATOM 802 CG ASP A 582 4.582 -44.761 -3.891 1.00 65.24 C ATOM 803 OD1 ASP A 582 5.180 -43.715 -4.269 1.00 14.32 O ATOM 804 OD2 ASP A 582 3.609 -44.725 -3.101 1.00 1.20 O ATOM 0 H ASP A 582 6.297 -48.124 -5.440 1.00 62.11 H new ATOM 0 HA ASP A 582 6.055 -45.359 -6.020 1.00 55.15 H new ATOM 0 HB2 ASP A 582 4.319 -46.653 -4.909 1.00 60.11 H new ATOM 0 HB3 ASP A 582 5.327 -46.751 -3.478 1.00 60.11 H new ATOM 809 N ALA A 583 8.036 -44.493 -4.885 1.00 44.52 N ATOM 810 CA ALA A 583 9.267 -43.987 -4.397 1.00 44.42 C ATOM 811 C ALA A 583 8.990 -42.675 -3.710 1.00 3.43 C ATOM 812 O ALA A 583 8.765 -41.647 -4.349 1.00 52.14 O ATOM 813 CB ALA A 583 10.192 -43.849 -5.518 1.00 45.24 C ATOM 0 H ALA A 583 7.634 -43.948 -5.648 1.00 44.52 H new ATOM 0 HA ALA A 583 9.729 -44.658 -3.673 1.00 44.42 H new ATOM 0 HB1 ALA A 583 11.145 -43.460 -5.158 1.00 45.24 H new ATOM 0 HB2 ALA A 583 10.349 -44.823 -5.982 1.00 45.24 H new ATOM 0 HB3 ALA A 583 9.774 -43.161 -6.252 1.00 45.24 H new ATOM 819 N TYR A 584 8.945 -42.737 -2.394 1.00 34.21 N ATOM 820 CA TYR A 584 8.578 -41.595 -1.590 1.00 22.25 C ATOM 821 C TYR A 584 9.584 -41.366 -0.486 1.00 41.51 C ATOM 822 O TYR A 584 10.117 -42.306 0.104 1.00 71.21 O ATOM 823 CB TYR A 584 7.172 -41.807 -1.020 1.00 12.04 C ATOM 824 CG TYR A 584 6.955 -43.159 -0.369 1.00 51.41 C ATOM 825 CD1 TYR A 584 7.245 -43.381 0.991 1.00 23.44 C ATOM 826 CD2 TYR A 584 6.441 -44.226 -1.124 1.00 50.14 C ATOM 827 CE1 TYR A 584 7.026 -44.662 1.580 1.00 64.32 C ATOM 828 CE2 TYR A 584 6.212 -45.494 -0.553 1.00 32.53 C ATOM 829 CZ TYR A 584 6.507 -45.705 0.797 1.00 70.21 C ATOM 830 OH TYR A 584 6.286 -46.935 1.366 1.00 51.21 O ATOM 0 H TYR A 584 9.161 -43.577 -1.857 1.00 34.21 H new ATOM 0 HA TYR A 584 8.576 -40.703 -2.216 1.00 22.25 H new ATOM 0 HB2 TYR A 584 6.970 -41.027 -0.285 1.00 12.04 H new ATOM 0 HB3 TYR A 584 6.446 -41.684 -1.823 1.00 12.04 H new ATOM 0 HD1 TYR A 584 7.637 -42.575 1.593 1.00 23.44 H new ATOM 0 HD2 TYR A 584 6.216 -44.071 -2.169 1.00 50.14 H new ATOM 0 HE1 TYR A 584 7.258 -44.828 2.622 1.00 64.32 H new ATOM 0 HE2 TYR A 584 5.811 -46.297 -1.154 1.00 32.53 H new ATOM 0 HH TYR A 584 5.924 -47.547 0.692 1.00 51.21 H new ATOM 840 N GLY A 585 9.867 -40.104 -0.222 1.00 65.23 N ATOM 841 CA GLY A 585 10.809 -39.759 0.823 1.00 52.50 C ATOM 842 C GLY A 585 10.795 -38.267 0.981 1.00 1.50 C ATOM 843 O GLY A 585 9.937 -37.610 0.397 1.00 60.23 O ATOM 0 H GLY A 585 9.461 -39.307 -0.713 1.00 65.23 H new ATOM 0 HA2 GLY A 585 10.535 -40.245 1.760 1.00 52.50 H new ATOM 0 HA3 GLY A 585 11.809 -40.106 0.565 1.00 52.50 H new ATOM 847 N GLU A 586 11.740 -37.723 1.731 1.00 70.34 N ATOM 848 CA GLU A 586 11.858 -36.281 1.886 1.00 10.12 C ATOM 849 C GLU A 586 13.232 -35.816 1.459 1.00 52.31 C ATOM 850 O GLU A 586 14.215 -36.544 1.565 1.00 50.22 O ATOM 851 CB GLU A 586 11.614 -35.845 3.326 1.00 34.03 C ATOM 852 CG GLU A 586 10.146 -35.821 3.700 1.00 23.25 C ATOM 853 CD GLU A 586 9.838 -34.940 4.884 1.00 13.03 C ATOM 854 OE1 GLU A 586 10.422 -35.096 5.970 1.00 4.04 O ATOM 855 OE2 GLU A 586 8.950 -34.076 4.716 1.00 11.41 O ATOM 0 H GLU A 586 12.439 -38.260 2.244 1.00 70.34 H new ATOM 0 HA GLU A 586 11.096 -35.827 1.252 1.00 10.12 H new ATOM 0 HB2 GLU A 586 12.143 -36.521 3.998 1.00 34.03 H new ATOM 0 HB3 GLU A 586 12.037 -34.851 3.475 1.00 34.03 H new ATOM 0 HG2 GLU A 586 9.567 -35.478 2.843 1.00 23.25 H new ATOM 0 HG3 GLU A 586 9.819 -36.837 3.919 1.00 23.25 H new ATOM 862 N LEU A 587 13.276 -34.593 0.957 1.00 43.13 N ATOM 863 CA LEU A 587 14.494 -34.009 0.421 1.00 4.43 C ATOM 864 C LEU A 587 14.913 -32.808 1.236 1.00 3.32 C ATOM 865 O LEU A 587 14.186 -31.826 1.307 1.00 42.13 O ATOM 866 CB LEU A 587 14.238 -33.541 -1.012 1.00 73.11 C ATOM 867 CG LEU A 587 13.724 -34.619 -1.971 1.00 43.15 C ATOM 868 CD1 LEU A 587 13.129 -33.968 -3.186 1.00 65.44 C ATOM 869 CD2 LEU A 587 14.815 -35.585 -2.387 1.00 31.33 C ATOM 0 H LEU A 587 12.466 -33.976 0.910 1.00 43.13 H new ATOM 0 HA LEU A 587 15.280 -34.764 0.452 1.00 4.43 H new ATOM 0 HB2 LEU A 587 13.515 -32.726 -0.987 1.00 73.11 H new ATOM 0 HB3 LEU A 587 15.165 -33.132 -1.414 1.00 73.11 H new ATOM 0 HG LEU A 587 12.964 -35.195 -1.443 1.00 43.15 H new ATOM 0 HD11 LEU A 587 12.763 -34.736 -3.868 1.00 65.44 H new ATOM 0 HD12 LEU A 587 12.301 -33.325 -2.886 1.00 65.44 H new ATOM 0 HD13 LEU A 587 13.890 -33.370 -3.687 1.00 65.44 H new ATOM 0 HD21 LEU A 587 14.401 -36.330 -3.067 1.00 31.33 H new ATOM 0 HD22 LEU A 587 15.613 -35.038 -2.890 1.00 31.33 H new ATOM 0 HD23 LEU A 587 15.217 -36.082 -1.504 1.00 31.33 H new ATOM 881 N GLU A 588 16.085 -32.865 1.838 1.00 52.33 N ATOM 882 CA GLU A 588 16.604 -31.726 2.569 1.00 74.22 C ATOM 883 C GLU A 588 17.116 -30.718 1.551 1.00 54.41 C ATOM 884 O GLU A 588 17.885 -31.056 0.655 1.00 2.34 O ATOM 885 CB GLU A 588 17.736 -32.152 3.501 1.00 63.13 C ATOM 886 CG GLU A 588 18.162 -31.050 4.458 1.00 12.23 C ATOM 887 CD GLU A 588 19.356 -31.440 5.309 1.00 30.03 C ATOM 888 OE1 GLU A 588 20.171 -32.275 4.858 1.00 54.43 O ATOM 889 OE2 GLU A 588 19.559 -30.812 6.363 1.00 2.20 O ATOM 0 H GLU A 588 16.693 -33.684 1.836 1.00 52.33 H new ATOM 0 HA GLU A 588 15.818 -31.287 3.184 1.00 74.22 H new ATOM 0 HB2 GLU A 588 17.419 -33.022 4.075 1.00 63.13 H new ATOM 0 HB3 GLU A 588 18.595 -32.460 2.904 1.00 63.13 H new ATOM 0 HG2 GLU A 588 18.405 -30.154 3.888 1.00 12.23 H new ATOM 0 HG3 GLU A 588 17.325 -30.796 5.109 1.00 12.23 H new ATOM 896 N PHE A 589 16.666 -29.488 1.692 1.00 23.24 N ATOM 897 CA PHE A 589 17.060 -28.382 0.824 1.00 1.23 C ATOM 898 C PHE A 589 17.608 -27.255 1.685 1.00 33.05 C ATOM 899 O PHE A 589 16.854 -26.628 2.412 1.00 30.12 O ATOM 900 CB PHE A 589 15.811 -27.842 0.125 1.00 21.22 C ATOM 901 CG PHE A 589 15.644 -28.303 -1.282 1.00 61.43 C ATOM 902 CD1 PHE A 589 16.189 -27.555 -2.341 1.00 31.41 C ATOM 903 CD2 PHE A 589 14.886 -29.453 -1.571 1.00 51.04 C ATOM 904 CE1 PHE A 589 15.962 -27.935 -3.683 1.00 73.11 C ATOM 905 CE2 PHE A 589 14.654 -29.840 -2.911 1.00 52.35 C ATOM 906 CZ PHE A 589 15.190 -29.063 -3.967 1.00 12.34 C ATOM 0 H PHE A 589 16.006 -29.218 2.422 1.00 23.24 H new ATOM 0 HA PHE A 589 17.802 -28.726 0.104 1.00 1.23 H new ATOM 0 HB2 PHE A 589 14.932 -28.138 0.698 1.00 21.22 H new ATOM 0 HB3 PHE A 589 15.846 -26.753 0.136 1.00 21.22 H new ATOM 0 HD1 PHE A 589 16.787 -26.682 -2.126 1.00 31.41 H new ATOM 0 HD2 PHE A 589 14.479 -30.044 -0.764 1.00 51.04 H new ATOM 0 HE1 PHE A 589 16.385 -27.353 -4.488 1.00 73.11 H new ATOM 0 HE2 PHE A 589 14.071 -30.723 -3.128 1.00 52.35 H new ATOM 0 HZ PHE A 589 15.001 -29.343 -4.993 1.00 12.34 H new ATOM 916 N LYS A 590 18.877 -26.913 1.523 1.00 74.41 N ATOM 917 CA LYS A 590 19.481 -25.788 2.234 1.00 72.11 C ATOM 918 C LYS A 590 19.706 -24.662 1.239 1.00 61.43 C ATOM 919 O LYS A 590 19.374 -24.794 0.065 1.00 51.52 O ATOM 920 CB LYS A 590 20.812 -26.204 2.870 1.00 62.43 C ATOM 921 CG LYS A 590 20.710 -27.428 3.770 1.00 3.41 C ATOM 922 CD LYS A 590 22.066 -27.758 4.380 1.00 5.34 C ATOM 923 CE LYS A 590 22.057 -29.136 5.025 1.00 63.31 C ATOM 924 NZ LYS A 590 21.913 -30.212 3.984 1.00 50.04 N ATOM 0 H LYS A 590 19.518 -27.403 0.899 1.00 74.41 H new ATOM 0 HA LYS A 590 18.817 -25.458 3.033 1.00 72.11 H new ATOM 0 HB2 LYS A 590 21.534 -26.406 2.079 1.00 62.43 H new ATOM 0 HB3 LYS A 590 21.202 -25.369 3.452 1.00 62.43 H new ATOM 0 HG2 LYS A 590 19.984 -27.245 4.562 1.00 3.41 H new ATOM 0 HG3 LYS A 590 20.347 -28.280 3.195 1.00 3.41 H new ATOM 0 HD2 LYS A 590 22.834 -27.720 3.608 1.00 5.34 H new ATOM 0 HD3 LYS A 590 22.325 -27.006 5.125 1.00 5.34 H new ATOM 0 HE2 LYS A 590 22.980 -29.286 5.585 1.00 63.31 H new ATOM 0 HE3 LYS A 590 21.236 -29.203 5.739 1.00 63.31 H new ATOM 0 HZ1 LYS A 590 22.177 -31.130 4.395 1.00 50.04 H new ATOM 0 HZ2 LYS A 590 20.926 -30.250 3.658 1.00 50.04 H new ATOM 0 HZ3 LYS A 590 22.536 -30.001 3.178 1.00 50.04 H new ATOM 938 N ASN A 591 20.263 -23.565 1.724 1.00 63.15 N ATOM 939 CA ASN A 591 20.544 -22.368 0.945 1.00 74.21 C ATOM 940 C ASN A 591 21.057 -22.564 -0.494 1.00 61.42 C ATOM 941 O ASN A 591 20.376 -22.175 -1.424 1.00 41.14 O ATOM 942 CB ASN A 591 21.568 -21.553 1.734 1.00 12.11 C ATOM 943 CG ASN A 591 21.943 -20.282 1.048 1.00 4.42 C ATOM 944 OD1 ASN A 591 23.101 -19.944 0.956 1.00 31.40 O ATOM 945 ND2 ASN A 591 20.973 -19.560 0.583 1.00 24.31 N ATOM 0 H ASN A 591 20.541 -23.479 2.702 1.00 63.15 H new ATOM 0 HA ASN A 591 19.582 -21.874 0.806 1.00 74.21 H new ATOM 0 HB2 ASN A 591 21.162 -21.323 2.719 1.00 12.11 H new ATOM 0 HB3 ASN A 591 22.463 -22.155 1.890 1.00 12.11 H new ATOM 0 HD21 ASN A 591 21.174 -18.673 0.120 1.00 24.31 H new ATOM 0 HD22 ASN A 591 20.009 -19.878 0.679 1.00 24.31 H new ATOM 952 N ASP A 592 22.254 -23.113 -0.665 1.00 22.32 N ATOM 953 CA ASP A 592 22.866 -23.268 -2.003 1.00 21.34 C ATOM 954 C ASP A 592 22.348 -24.516 -2.732 1.00 12.21 C ATOM 955 O ASP A 592 22.304 -24.590 -3.950 1.00 51.14 O ATOM 956 CB ASP A 592 24.382 -23.382 -1.847 1.00 55.30 C ATOM 957 CG ASP A 592 25.114 -23.216 -3.163 1.00 14.44 C ATOM 958 OD1 ASP A 592 24.808 -22.249 -3.893 1.00 71.32 O ATOM 959 OD2 ASP A 592 26.024 -24.020 -3.440 1.00 1.31 O ATOM 0 H ASP A 592 22.830 -23.463 0.101 1.00 22.32 H new ATOM 0 HA ASP A 592 22.597 -22.394 -2.597 1.00 21.34 H new ATOM 0 HB2 ASP A 592 24.730 -22.625 -1.143 1.00 55.30 H new ATOM 0 HB3 ASP A 592 24.628 -24.353 -1.418 1.00 55.30 H new ATOM 964 N GLU A 593 21.899 -25.459 -1.921 1.00 34.24 N ATOM 965 CA GLU A 593 21.308 -26.757 -2.312 1.00 64.41 C ATOM 966 C GLU A 593 20.064 -26.751 -3.205 1.00 23.54 C ATOM 967 O GLU A 593 19.277 -27.693 -3.162 1.00 15.04 O ATOM 968 CB GLU A 593 21.082 -27.647 -1.097 1.00 42.11 C ATOM 969 CG GLU A 593 22.347 -27.956 -0.315 1.00 3.44 C ATOM 970 CD GLU A 593 22.092 -28.972 0.783 1.00 31.45 C ATOM 971 OE1 GLU A 593 20.928 -29.408 0.932 1.00 61.44 O ATOM 972 OE2 GLU A 593 23.036 -29.332 1.510 1.00 15.14 O ATOM 0 H GLU A 593 21.933 -25.346 -0.908 1.00 34.24 H new ATOM 0 HA GLU A 593 22.077 -27.164 -2.968 1.00 64.41 H new ATOM 0 HB2 GLU A 593 20.366 -27.163 -0.433 1.00 42.11 H new ATOM 0 HB3 GLU A 593 20.631 -28.584 -1.424 1.00 42.11 H new ATOM 0 HG2 GLU A 593 23.111 -28.337 -0.993 1.00 3.44 H new ATOM 0 HG3 GLU A 593 22.738 -27.037 0.122 1.00 3.44 H new ATOM 979 N THR A 594 19.777 -25.640 -3.860 1.00 20.31 N ATOM 980 CA THR A 594 18.513 -25.429 -4.562 1.00 22.54 C ATOM 981 C THR A 594 18.387 -26.269 -5.827 1.00 43.44 C ATOM 982 O THR A 594 17.429 -26.121 -6.579 1.00 11.35 O ATOM 983 CB THR A 594 18.428 -23.978 -5.065 1.00 71.12 C ATOM 984 OG1 THR A 594 19.512 -23.721 -5.962 1.00 5.25 O ATOM 985 CG2 THR A 594 18.528 -23.008 -3.944 1.00 64.22 C ATOM 0 H THR A 594 20.417 -24.849 -3.923 1.00 20.31 H new ATOM 0 HA THR A 594 17.739 -25.693 -3.841 1.00 22.54 H new ATOM 0 HB THR A 594 17.465 -23.857 -5.562 1.00 71.12 H new ATOM 0 HG1 THR A 594 19.458 -22.797 -6.284 1.00 5.25 H new ATOM 0 HG21 THR A 594 18.464 -21.992 -4.335 1.00 64.22 H new ATOM 0 HG22 THR A 594 17.712 -23.178 -3.242 1.00 64.22 H new ATOM 0 HG23 THR A 594 19.481 -23.141 -3.432 1.00 64.22 H new ATOM 993 N VAL A 595 19.297 -27.216 -5.990 1.00 35.15 N ATOM 994 CA VAL A 595 19.189 -28.252 -7.005 1.00 70.22 C ATOM 995 C VAL A 595 19.263 -29.569 -6.245 1.00 14.43 C ATOM 996 O VAL A 595 20.192 -29.797 -5.466 1.00 1.40 O ATOM 997 CB VAL A 595 20.346 -28.189 -8.044 1.00 44.53 C ATOM 998 CG1 VAL A 595 19.845 -28.654 -9.419 1.00 22.44 C ATOM 999 CG2 VAL A 595 20.926 -26.758 -8.138 1.00 32.41 C ATOM 0 H VAL A 595 20.138 -27.288 -5.417 1.00 35.15 H new ATOM 0 HA VAL A 595 18.265 -28.132 -7.570 1.00 70.22 H new ATOM 0 HB VAL A 595 21.142 -28.856 -7.713 1.00 44.53 H new ATOM 0 HG11 VAL A 595 20.662 -28.606 -10.139 1.00 22.44 H new ATOM 0 HG12 VAL A 595 19.484 -29.680 -9.347 1.00 22.44 H new ATOM 0 HG13 VAL A 595 19.033 -28.006 -9.748 1.00 22.44 H new ATOM 0 HG21 VAL A 595 21.733 -26.740 -8.871 1.00 32.41 H new ATOM 0 HG22 VAL A 595 20.141 -26.067 -8.445 1.00 32.41 H new ATOM 0 HG23 VAL A 595 21.313 -26.458 -7.164 1.00 32.41 H new ATOM 1009 N LYS A 596 18.258 -30.406 -6.424 1.00 35.43 N ATOM 1010 CA LYS A 596 18.173 -31.683 -5.717 1.00 62.33 C ATOM 1011 C LYS A 596 17.538 -32.666 -6.662 1.00 14.31 C ATOM 1012 O LYS A 596 17.121 -32.265 -7.733 1.00 14.23 O ATOM 1013 CB LYS A 596 17.319 -31.510 -4.460 1.00 73.20 C ATOM 1014 CG LYS A 596 17.499 -32.574 -3.380 1.00 35.00 C ATOM 1015 CD LYS A 596 18.923 -32.656 -2.851 1.00 42.52 C ATOM 1016 CE LYS A 596 19.320 -31.349 -2.147 1.00 23.15 C ATOM 1017 NZ LYS A 596 20.261 -31.545 -0.990 1.00 2.33 N ATOM 0 H LYS A 596 17.479 -30.227 -7.058 1.00 35.43 H new ATOM 0 HA LYS A 596 19.156 -32.038 -5.408 1.00 62.33 H new ATOM 0 HB2 LYS A 596 17.542 -30.536 -4.024 1.00 73.20 H new ATOM 0 HB3 LYS A 596 16.270 -31.494 -4.756 1.00 73.20 H new ATOM 0 HG2 LYS A 596 16.823 -32.360 -2.552 1.00 35.00 H new ATOM 0 HG3 LYS A 596 17.212 -33.545 -3.784 1.00 35.00 H new ATOM 0 HD2 LYS A 596 19.010 -33.490 -2.155 1.00 42.52 H new ATOM 0 HD3 LYS A 596 19.610 -32.855 -3.673 1.00 42.52 H new ATOM 0 HE2 LYS A 596 19.786 -30.683 -2.873 1.00 23.15 H new ATOM 0 HE3 LYS A 596 18.419 -30.851 -1.790 1.00 23.15 H new ATOM 0 HZ1 LYS A 596 20.352 -30.654 -0.462 1.00 2.33 H new ATOM 0 HZ2 LYS A 596 19.888 -32.284 -0.361 1.00 2.33 H new ATOM 0 HZ3 LYS A 596 21.195 -31.833 -1.347 1.00 2.33 H new ATOM 1031 N THR A 597 17.451 -33.929 -6.294 1.00 40.42 N ATOM 1032 CA THR A 597 16.896 -34.923 -7.182 1.00 34.04 C ATOM 1033 C THR A 597 16.021 -35.952 -6.476 1.00 72.11 C ATOM 1034 O THR A 597 16.184 -36.204 -5.288 1.00 62.20 O ATOM 1035 CB THR A 597 18.055 -35.663 -7.817 1.00 34.14 C ATOM 1036 OG1 THR A 597 19.269 -35.304 -7.149 1.00 33.30 O ATOM 1037 CG2 THR A 597 18.219 -35.335 -9.305 1.00 31.12 C ATOM 0 H THR A 597 17.757 -34.287 -5.389 1.00 40.42 H new ATOM 0 HA THR A 597 16.266 -34.403 -7.903 1.00 34.04 H new ATOM 0 HB THR A 597 17.843 -36.728 -7.722 1.00 34.14 H new ATOM 0 HG1 THR A 597 20.021 -35.783 -7.557 1.00 33.30 H new ATOM 0 HG21 THR A 597 19.064 -35.892 -9.709 1.00 31.12 H new ATOM 0 HG22 THR A 597 17.311 -35.612 -9.841 1.00 31.12 H new ATOM 0 HG23 THR A 597 18.399 -34.267 -9.424 1.00 31.12 H new ATOM 1045 N ILE A 598 15.107 -36.548 -7.235 1.00 23.30 N ATOM 1046 CA ILE A 598 14.227 -37.623 -6.753 1.00 4.42 C ATOM 1047 C ILE A 598 14.518 -38.837 -7.588 1.00 52.13 C ATOM 1048 O ILE A 598 14.554 -38.729 -8.794 1.00 41.45 O ATOM 1049 CB ILE A 598 12.726 -37.277 -6.944 1.00 4.22 C ATOM 1050 CG1 ILE A 598 12.354 -36.204 -5.924 1.00 63.33 C ATOM 1051 CG2 ILE A 598 11.826 -38.557 -6.799 1.00 1.05 C ATOM 1052 CD1 ILE A 598 11.014 -35.549 -6.119 1.00 71.41 C ATOM 0 H ILE A 598 14.950 -36.301 -8.212 1.00 23.30 H new ATOM 0 HA ILE A 598 14.412 -37.777 -5.690 1.00 4.42 H new ATOM 0 HB ILE A 598 12.554 -36.896 -7.951 1.00 4.22 H new ATOM 0 HG12 ILE A 598 12.377 -36.651 -4.930 1.00 63.33 H new ATOM 0 HG13 ILE A 598 13.121 -35.430 -5.943 1.00 63.33 H new ATOM 0 HG21 ILE A 598 10.780 -38.284 -6.938 1.00 1.05 H new ATOM 0 HG22 ILE A 598 12.113 -39.291 -7.553 1.00 1.05 H new ATOM 0 HG23 ILE A 598 11.960 -38.986 -5.806 1.00 1.05 H new ATOM 0 HD11 ILE A 598 10.856 -34.805 -5.338 1.00 71.41 H new ATOM 0 HD12 ILE A 598 10.985 -35.063 -7.094 1.00 71.41 H new ATOM 0 HD13 ILE A 598 10.229 -36.303 -6.066 1.00 71.41 H new ATOM 1064 N ARG A 599 14.689 -39.981 -6.942 1.00 33.41 N ATOM 1065 CA ARG A 599 14.948 -41.248 -7.633 1.00 71.34 C ATOM 1066 C ARG A 599 13.801 -42.226 -7.484 1.00 63.31 C ATOM 1067 O ARG A 599 13.321 -42.458 -6.379 1.00 23.22 O ATOM 1068 CB ARG A 599 16.239 -41.888 -7.120 1.00 44.14 C ATOM 1069 CG ARG A 599 17.427 -41.292 -7.806 1.00 3.40 C ATOM 1070 CD ARG A 599 18.744 -41.965 -7.543 1.00 22.32 C ATOM 1071 NE ARG A 599 19.721 -41.360 -8.465 1.00 21.24 N ATOM 1072 CZ ARG A 599 20.319 -41.966 -9.484 1.00 14.24 C ATOM 1073 NH1 ARG A 599 20.180 -43.244 -9.736 1.00 24.03 N ATOM 1074 NH2 ARG A 599 21.062 -41.254 -10.282 1.00 72.01 N ATOM 0 H ARG A 599 14.653 -40.063 -5.926 1.00 33.41 H new ATOM 0 HA ARG A 599 15.053 -41.014 -8.692 1.00 71.34 H new ATOM 0 HB2 ARG A 599 16.322 -41.741 -6.043 1.00 44.14 H new ATOM 0 HB3 ARG A 599 16.213 -42.964 -7.294 1.00 44.14 H new ATOM 0 HG2 ARG A 599 17.244 -41.302 -8.881 1.00 3.40 H new ATOM 0 HG3 ARG A 599 17.509 -40.247 -7.506 1.00 3.40 H new ATOM 0 HD2 ARG A 599 19.051 -41.823 -6.507 1.00 22.32 H new ATOM 0 HD3 ARG A 599 18.669 -43.040 -7.709 1.00 22.32 H new ATOM 0 HE ARG A 599 19.961 -40.382 -8.305 1.00 21.24 H new ATOM 0 HH11 ARG A 599 19.590 -43.821 -9.136 1.00 24.03 H new ATOM 0 HH12 ARG A 599 20.661 -43.662 -10.532 1.00 24.03 H new ATOM 0 HH21 ARG A 599 21.174 -40.254 -10.117 1.00 72.01 H new ATOM 0 HH22 ARG A 599 21.532 -41.697 -11.072 1.00 72.01 H new ATOM 1088 N VAL A 600 13.394 -42.808 -8.602 1.00 1.32 N ATOM 1089 CA VAL A 600 12.313 -43.801 -8.635 1.00 44.11 C ATOM 1090 C VAL A 600 12.831 -45.024 -9.376 1.00 33.43 C ATOM 1091 O VAL A 600 13.363 -44.900 -10.475 1.00 3.15 O ATOM 1092 CB VAL A 600 11.044 -43.244 -9.357 1.00 10.15 C ATOM 1093 CG1 VAL A 600 9.930 -44.252 -9.377 1.00 45.03 C ATOM 1094 CG2 VAL A 600 10.604 -41.926 -8.718 1.00 71.54 C ATOM 0 H VAL A 600 13.800 -42.610 -9.517 1.00 1.32 H new ATOM 0 HA VAL A 600 12.022 -44.053 -7.615 1.00 44.11 H new ATOM 0 HB VAL A 600 11.304 -43.045 -10.397 1.00 10.15 H new ATOM 0 HG11 VAL A 600 9.065 -43.828 -9.887 1.00 45.03 H new ATOM 0 HG12 VAL A 600 10.259 -45.148 -9.904 1.00 45.03 H new ATOM 0 HG13 VAL A 600 9.657 -44.512 -8.354 1.00 45.03 H new ATOM 0 HG21 VAL A 600 9.719 -41.550 -9.232 1.00 71.54 H new ATOM 0 HG22 VAL A 600 10.370 -42.092 -7.666 1.00 71.54 H new ATOM 0 HG23 VAL A 600 11.409 -41.195 -8.800 1.00 71.54 H new ATOM 1104 N LYS A 601 12.721 -46.189 -8.754 1.00 61.24 N ATOM 1105 CA LYS A 601 13.205 -47.437 -9.353 1.00 24.43 C ATOM 1106 C LYS A 601 12.132 -47.911 -10.310 1.00 24.44 C ATOM 1107 O LYS A 601 10.958 -47.882 -9.950 1.00 14.12 O ATOM 1108 CB LYS A 601 13.413 -48.525 -8.286 1.00 32.25 C ATOM 1109 CG LYS A 601 14.653 -48.356 -7.372 1.00 23.42 C ATOM 1110 CD LYS A 601 14.513 -47.286 -6.256 1.00 62.24 C ATOM 1111 CE LYS A 601 13.431 -47.630 -5.220 1.00 62.22 C ATOM 1112 NZ LYS A 601 13.716 -48.915 -4.502 1.00 30.20 N ATOM 0 H LYS A 601 12.300 -46.302 -7.832 1.00 61.24 H new ATOM 0 HA LYS A 601 14.159 -47.258 -9.849 1.00 24.43 H new ATOM 0 HB2 LYS A 601 12.525 -48.561 -7.656 1.00 32.25 H new ATOM 0 HB3 LYS A 601 13.487 -49.489 -8.789 1.00 32.25 H new ATOM 0 HG2 LYS A 601 14.874 -49.316 -6.906 1.00 23.42 H new ATOM 0 HG3 LYS A 601 15.510 -48.098 -7.994 1.00 23.42 H new ATOM 0 HD2 LYS A 601 15.471 -47.173 -5.748 1.00 62.24 H new ATOM 0 HD3 LYS A 601 14.278 -46.324 -6.711 1.00 62.24 H new ATOM 0 HE2 LYS A 601 13.356 -46.820 -4.494 1.00 62.22 H new ATOM 0 HE3 LYS A 601 12.464 -47.702 -5.718 1.00 62.22 H new ATOM 0 HZ1 LYS A 601 13.005 -49.061 -3.757 1.00 30.20 H new ATOM 0 HZ2 LYS A 601 13.678 -49.706 -5.177 1.00 30.20 H new ATOM 0 HZ3 LYS A 601 14.663 -48.871 -4.074 1.00 30.20 H new ATOM 1126 N ILE A 602 12.518 -48.353 -11.492 1.00 22.11 N ATOM 1127 CA ILE A 602 11.564 -48.887 -12.461 1.00 54.42 C ATOM 1128 C ILE A 602 11.723 -50.400 -12.384 1.00 23.23 C ATOM 1129 O ILE A 602 12.836 -50.900 -12.221 1.00 51.30 O ATOM 1130 CB ILE A 602 11.782 -48.332 -13.922 1.00 33.21 C ATOM 1131 CG1 ILE A 602 12.079 -46.807 -13.888 1.00 64.22 C ATOM 1132 CG2 ILE A 602 10.521 -48.612 -14.780 1.00 72.54 C ATOM 1133 CD1 ILE A 602 10.955 -45.918 -13.297 1.00 42.32 C ATOM 0 H ILE A 602 13.487 -48.355 -11.810 1.00 22.11 H new ATOM 0 HA ILE A 602 10.548 -48.574 -12.220 1.00 54.42 H new ATOM 0 HB ILE A 602 12.639 -48.838 -14.367 1.00 33.21 H new ATOM 0 HG12 ILE A 602 12.988 -46.645 -13.309 1.00 64.22 H new ATOM 0 HG13 ILE A 602 12.285 -46.473 -14.905 1.00 64.22 H new ATOM 0 HG21 ILE A 602 10.674 -48.228 -15.788 1.00 72.54 H new ATOM 0 HG22 ILE A 602 10.342 -49.686 -14.824 1.00 72.54 H new ATOM 0 HG23 ILE A 602 9.659 -48.119 -14.331 1.00 72.54 H new ATOM 0 HD11 ILE A 602 11.266 -44.874 -13.321 1.00 42.32 H new ATOM 0 HD12 ILE A 602 10.047 -46.040 -13.887 1.00 42.32 H new ATOM 0 HD13 ILE A 602 10.760 -46.215 -12.266 1.00 42.32 H new ATOM 1145 N VAL A 603 10.603 -51.097 -12.390 1.00 33.54 N ATOM 1146 CA VAL A 603 10.562 -52.552 -12.225 1.00 73.11 C ATOM 1147 C VAL A 603 10.340 -53.110 -13.642 1.00 51.15 C ATOM 1148 O VAL A 603 9.756 -52.432 -14.477 1.00 55.04 O ATOM 1149 CB VAL A 603 9.448 -52.914 -11.185 1.00 74.04 C ATOM 1150 CG1 VAL A 603 9.299 -54.408 -10.976 1.00 44.31 C ATOM 1151 CG2 VAL A 603 9.788 -52.267 -9.815 1.00 32.34 C ATOM 0 H VAL A 603 9.683 -50.673 -12.510 1.00 33.54 H new ATOM 0 HA VAL A 603 11.473 -52.992 -11.818 1.00 73.11 H new ATOM 0 HB VAL A 603 8.509 -52.533 -11.587 1.00 74.04 H new ATOM 0 HG11 VAL A 603 8.513 -54.597 -10.245 1.00 44.31 H new ATOM 0 HG12 VAL A 603 9.037 -54.883 -11.921 1.00 44.31 H new ATOM 0 HG13 VAL A 603 10.240 -54.820 -10.611 1.00 44.31 H new ATOM 0 HG21 VAL A 603 9.013 -52.519 -9.091 1.00 32.34 H new ATOM 0 HG22 VAL A 603 10.749 -52.643 -9.463 1.00 32.34 H new ATOM 0 HG23 VAL A 603 9.841 -51.184 -9.927 1.00 32.34 H new ATOM 1295 N GLU A 612 3.235 -46.980 -20.647 1.00 53.52 N ATOM 1296 CA GLU A 612 2.738 -46.653 -19.308 1.00 33.21 C ATOM 1297 C GLU A 612 3.024 -45.188 -19.002 1.00 30.52 C ATOM 1298 O GLU A 612 3.843 -44.546 -19.666 1.00 13.43 O ATOM 1299 CB GLU A 612 3.376 -47.536 -18.229 1.00 23.33 C ATOM 1300 CG GLU A 612 3.217 -49.038 -18.440 1.00 51.11 C ATOM 1301 CD GLU A 612 1.798 -49.459 -18.813 1.00 71.20 C ATOM 1302 OE1 GLU A 612 0.802 -49.098 -18.130 1.00 71.52 O ATOM 1303 OE2 GLU A 612 1.679 -50.188 -19.813 1.00 3.52 O ATOM 0 HA GLU A 612 1.664 -46.838 -19.297 1.00 33.21 H new ATOM 0 HB2 GLU A 612 4.440 -47.304 -18.174 1.00 23.33 H new ATOM 0 HB3 GLU A 612 2.942 -47.273 -17.264 1.00 23.33 H new ATOM 0 HG2 GLU A 612 3.900 -49.360 -19.226 1.00 51.11 H new ATOM 0 HG3 GLU A 612 3.513 -49.557 -17.528 1.00 51.11 H new ATOM 1310 N ASN A 613 2.347 -44.657 -17.992 1.00 31.30 N ATOM 1311 CA ASN A 613 2.472 -43.256 -17.626 1.00 62.41 C ATOM 1312 C ASN A 613 2.375 -43.087 -16.121 1.00 72.15 C ATOM 1313 O ASN A 613 1.472 -43.621 -15.471 1.00 64.33 O ATOM 1314 CB ASN A 613 1.351 -42.466 -18.304 1.00 51.30 C ATOM 1315 CG ASN A 613 0.872 -41.304 -17.481 1.00 21.30 C ATOM 1316 OD1 ASN A 613 -0.159 -41.375 -16.829 1.00 21.05 O ATOM 1317 ND2 ASN A 613 1.598 -40.233 -17.520 1.00 53.40 N ATOM 0 H ASN A 613 1.699 -45.184 -17.407 1.00 31.30 H new ATOM 0 HA ASN A 613 3.444 -42.886 -17.953 1.00 62.41 H new ATOM 0 HB2 ASN A 613 1.703 -42.100 -19.268 1.00 51.30 H new ATOM 0 HB3 ASN A 613 0.513 -43.133 -18.503 1.00 51.30 H new ATOM 0 HD21 ASN A 613 1.316 -39.406 -16.993 1.00 53.40 H new ATOM 0 HD22 ASN A 613 2.452 -40.216 -18.077 1.00 53.40 H new ATOM 1324 N PHE A 614 3.286 -42.299 -15.579 1.00 74.21 N ATOM 1325 CA PHE A 614 3.254 -41.949 -14.170 1.00 21.13 C ATOM 1326 C PHE A 614 3.909 -40.599 -13.992 1.00 11.41 C ATOM 1327 O PHE A 614 4.549 -40.090 -14.901 1.00 14.15 O ATOM 1328 CB PHE A 614 3.942 -43.020 -13.316 1.00 12.33 C ATOM 1329 CG PHE A 614 5.441 -42.910 -13.254 1.00 44.11 C ATOM 1330 CD1 PHE A 614 6.258 -43.548 -14.204 1.00 41.52 C ATOM 1331 CD2 PHE A 614 6.049 -42.202 -12.199 1.00 51.32 C ATOM 1332 CE1 PHE A 614 7.672 -43.486 -14.093 1.00 55.14 C ATOM 1333 CE2 PHE A 614 7.451 -42.129 -12.080 1.00 75.20 C ATOM 1334 CZ PHE A 614 8.261 -42.777 -13.019 1.00 45.11 C ATOM 0 H PHE A 614 4.062 -41.887 -16.097 1.00 74.21 H new ATOM 0 HA PHE A 614 2.219 -41.896 -13.832 1.00 21.13 H new ATOM 0 HB2 PHE A 614 3.545 -42.966 -12.302 1.00 12.33 H new ATOM 0 HB3 PHE A 614 3.680 -44.002 -13.709 1.00 12.33 H new ATOM 0 HD1 PHE A 614 5.807 -44.089 -15.023 1.00 41.52 H new ATOM 0 HD2 PHE A 614 5.429 -41.706 -11.467 1.00 51.32 H new ATOM 0 HE1 PHE A 614 8.296 -43.978 -14.825 1.00 55.14 H new ATOM 0 HE2 PHE A 614 7.898 -41.575 -11.268 1.00 75.20 H new ATOM 0 HZ PHE A 614 9.336 -42.736 -12.924 1.00 45.11 H new ATOM 1344 N PHE A 615 3.744 -40.009 -12.830 1.00 3.24 N ATOM 1345 CA PHE A 615 4.335 -38.714 -12.534 1.00 64.42 C ATOM 1346 C PHE A 615 4.764 -38.755 -11.089 1.00 55.05 C ATOM 1347 O PHE A 615 4.441 -39.683 -10.391 1.00 11.33 O ATOM 1348 CB PHE A 615 3.328 -37.580 -12.771 1.00 5.34 C ATOM 1349 CG PHE A 615 1.943 -38.052 -13.114 1.00 11.51 C ATOM 1350 CD1 PHE A 615 1.597 -38.331 -14.447 1.00 55.33 C ATOM 1351 CD2 PHE A 615 0.972 -38.210 -12.111 1.00 1.21 C ATOM 1352 CE1 PHE A 615 0.304 -38.786 -14.780 1.00 62.24 C ATOM 1353 CE2 PHE A 615 -0.333 -38.666 -12.432 1.00 21.32 C ATOM 1354 CZ PHE A 615 -0.662 -38.961 -13.772 1.00 5.53 C ATOM 0 H PHE A 615 3.200 -40.407 -12.064 1.00 3.24 H new ATOM 0 HA PHE A 615 5.184 -38.519 -13.189 1.00 64.42 H new ATOM 0 HB2 PHE A 615 3.278 -36.960 -11.876 1.00 5.34 H new ATOM 0 HB3 PHE A 615 3.695 -36.946 -13.578 1.00 5.34 H new ATOM 0 HD1 PHE A 615 2.331 -38.195 -15.227 1.00 55.33 H new ATOM 0 HD2 PHE A 615 1.221 -37.982 -11.085 1.00 1.21 H new ATOM 0 HE1 PHE A 615 0.055 -39.000 -15.809 1.00 62.24 H new ATOM 0 HE2 PHE A 615 -1.072 -38.787 -11.653 1.00 21.32 H new ATOM 0 HZ PHE A 615 -1.650 -39.319 -14.023 1.00 5.53 H new ATOM 1364 N ILE A 616 5.490 -37.756 -10.625 1.00 33.34 N ATOM 1365 CA ILE A 616 5.892 -37.705 -9.222 1.00 64.22 C ATOM 1366 C ILE A 616 5.442 -36.360 -8.728 1.00 43.05 C ATOM 1367 O ILE A 616 5.743 -35.349 -9.354 1.00 30.12 O ATOM 1368 CB ILE A 616 7.428 -37.792 -9.060 1.00 0.22 C ATOM 1369 CG1 ILE A 616 8.010 -38.953 -9.888 1.00 52.30 C ATOM 1370 CG2 ILE A 616 7.813 -37.958 -7.572 1.00 4.44 C ATOM 1371 CD1 ILE A 616 9.495 -38.875 -10.005 1.00 42.35 C ATOM 0 H ILE A 616 5.814 -36.971 -11.190 1.00 33.34 H new ATOM 0 HA ILE A 616 5.458 -38.541 -8.674 1.00 64.22 H new ATOM 0 HB ILE A 616 7.852 -36.859 -9.431 1.00 0.22 H new ATOM 0 HG12 ILE A 616 7.733 -39.901 -9.426 1.00 52.30 H new ATOM 0 HG13 ILE A 616 7.568 -38.943 -10.884 1.00 52.30 H new ATOM 0 HG21 ILE A 616 8.898 -38.017 -7.481 1.00 4.44 H new ATOM 0 HG22 ILE A 616 7.447 -37.103 -7.004 1.00 4.44 H new ATOM 0 HG23 ILE A 616 7.366 -38.872 -7.180 1.00 4.44 H new ATOM 0 HD11 ILE A 616 9.858 -39.715 -10.597 1.00 42.35 H new ATOM 0 HD12 ILE A 616 9.773 -37.940 -10.492 1.00 42.35 H new ATOM 0 HD13 ILE A 616 9.941 -38.913 -9.011 1.00 42.35 H new ATOM 1383 N ALA A 617 4.701 -36.334 -7.636 1.00 64.43 N ATOM 1384 CA ALA A 617 4.205 -35.081 -7.094 1.00 11.43 C ATOM 1385 C ALA A 617 4.810 -34.858 -5.729 1.00 34.13 C ATOM 1386 O ALA A 617 5.066 -35.799 -4.974 1.00 20.43 O ATOM 1387 CB ALA A 617 2.665 -35.105 -7.022 1.00 53.24 C ATOM 0 H ALA A 617 4.429 -37.163 -7.108 1.00 64.43 H new ATOM 0 HA ALA A 617 4.494 -34.257 -7.746 1.00 11.43 H new ATOM 0 HB1 ALA A 617 2.305 -34.160 -6.614 1.00 53.24 H new ATOM 0 HB2 ALA A 617 2.256 -35.248 -8.022 1.00 53.24 H new ATOM 0 HB3 ALA A 617 2.344 -35.924 -6.379 1.00 53.24 H new ATOM 1393 N LEU A 618 5.044 -33.596 -5.431 1.00 13.12 N ATOM 1394 CA LEU A 618 5.598 -33.200 -4.157 1.00 23.14 C ATOM 1395 C LEU A 618 4.448 -33.050 -3.176 1.00 72.20 C ATOM 1396 O LEU A 618 3.375 -32.599 -3.558 1.00 61.21 O ATOM 1397 CB LEU A 618 6.336 -31.869 -4.313 1.00 32.02 C ATOM 1398 CG LEU A 618 7.514 -31.895 -5.303 1.00 52.05 C ATOM 1399 CD1 LEU A 618 7.978 -30.481 -5.582 1.00 21.13 C ATOM 1400 CD2 LEU A 618 8.660 -32.739 -4.771 1.00 34.13 C ATOM 0 H LEU A 618 4.855 -32.820 -6.065 1.00 13.12 H new ATOM 0 HA LEU A 618 6.305 -33.946 -3.794 1.00 23.14 H new ATOM 0 HB2 LEU A 618 5.624 -31.111 -4.638 1.00 32.02 H new ATOM 0 HB3 LEU A 618 6.708 -31.559 -3.336 1.00 32.02 H new ATOM 0 HG LEU A 618 7.174 -32.350 -6.234 1.00 52.05 H new ATOM 0 HD11 LEU A 618 8.812 -30.503 -6.283 1.00 21.13 H new ATOM 0 HD12 LEU A 618 7.157 -29.907 -6.012 1.00 21.13 H new ATOM 0 HD13 LEU A 618 8.299 -30.013 -4.651 1.00 21.13 H new ATOM 0 HD21 LEU A 618 9.477 -32.738 -5.492 1.00 34.13 H new ATOM 0 HD22 LEU A 618 9.010 -32.324 -3.826 1.00 34.13 H new ATOM 0 HD23 LEU A 618 8.316 -33.761 -4.613 1.00 34.13 H new ATOM 1412 N GLY A 619 4.686 -33.415 -1.924 1.00 20.40 N ATOM 1413 CA GLY A 619 3.690 -33.234 -0.876 1.00 60.04 C ATOM 1414 C GLY A 619 3.452 -31.757 -0.624 1.00 23.03 C ATOM 1415 O GLY A 619 2.550 -31.138 -1.170 1.00 51.05 O ATOM 0 H GLY A 619 5.559 -33.838 -1.609 1.00 20.40 H new ATOM 0 HA2 GLY A 619 2.756 -33.715 -1.166 1.00 60.04 H new ATOM 0 HA3 GLY A 619 4.026 -33.717 0.042 1.00 60.04 H new ATOM 1419 N GLU A 620 4.327 -31.174 0.185 1.00 72.21 N ATOM 1420 CA GLU A 620 4.323 -29.739 0.428 1.00 34.20 C ATOM 1421 C GLU A 620 5.686 -29.415 1.018 1.00 72.20 C ATOM 1422 O GLU A 620 6.181 -30.128 1.890 1.00 31.14 O ATOM 1423 CB GLU A 620 3.179 -29.297 1.375 1.00 52.10 C ATOM 1424 CG GLU A 620 3.437 -29.460 2.882 1.00 73.31 C ATOM 1425 CD GLU A 620 2.395 -28.764 3.738 1.00 62.53 C ATOM 1426 OE1 GLU A 620 2.362 -27.507 3.717 1.00 24.24 O ATOM 1427 OE2 GLU A 620 1.686 -29.444 4.500 1.00 64.12 O ATOM 0 H GLU A 620 5.056 -31.680 0.688 1.00 72.21 H new ATOM 0 HA GLU A 620 4.143 -29.196 -0.500 1.00 34.20 H new ATOM 0 HB2 GLU A 620 2.958 -28.248 1.178 1.00 52.10 H new ATOM 0 HB3 GLU A 620 2.285 -29.865 1.118 1.00 52.10 H new ATOM 0 HG2 GLU A 620 3.454 -30.521 3.130 1.00 73.31 H new ATOM 0 HG3 GLU A 620 4.423 -29.061 3.122 1.00 73.31 H new ATOM 1434 N PRO A 621 6.345 -28.374 0.518 1.00 2.52 N ATOM 1435 CA PRO A 621 7.626 -28.058 1.146 1.00 43.52 C ATOM 1436 C PRO A 621 7.411 -27.544 2.573 1.00 0.32 C ATOM 1437 O PRO A 621 6.501 -26.751 2.835 1.00 22.34 O ATOM 1438 CB PRO A 621 8.194 -26.996 0.212 1.00 24.23 C ATOM 1439 CG PRO A 621 6.981 -26.348 -0.382 1.00 62.03 C ATOM 1440 CD PRO A 621 6.034 -27.456 -0.589 1.00 1.33 C ATOM 0 HA PRO A 621 8.298 -28.909 1.262 1.00 43.52 H new ATOM 0 HB2 PRO A 621 8.807 -26.275 0.753 1.00 24.23 H new ATOM 0 HB3 PRO A 621 8.827 -27.438 -0.557 1.00 24.23 H new ATOM 0 HG2 PRO A 621 6.568 -25.592 0.286 1.00 62.03 H new ATOM 0 HG3 PRO A 621 7.218 -25.848 -1.321 1.00 62.03 H new ATOM 0 HD2 PRO A 621 5.000 -27.114 -0.551 1.00 1.33 H new ATOM 0 HD3 PRO A 621 6.177 -27.932 -1.559 1.00 1.33 H new ATOM 1448 N LYS A 622 8.231 -28.019 3.500 1.00 15.13 N ATOM 1449 CA LYS A 622 8.105 -27.670 4.918 1.00 62.42 C ATOM 1450 C LYS A 622 9.419 -27.048 5.335 1.00 22.04 C ATOM 1451 O LYS A 622 10.454 -27.602 5.092 1.00 32.23 O ATOM 1452 CB LYS A 622 7.841 -28.933 5.753 1.00 12.02 C ATOM 1453 CG LYS A 622 6.574 -29.701 5.364 1.00 54.11 C ATOM 1454 CD LYS A 622 6.848 -31.185 5.085 1.00 13.23 C ATOM 1455 CE LYS A 622 7.202 -31.973 6.345 1.00 52.42 C ATOM 1456 NZ LYS A 622 6.766 -33.399 6.228 1.00 11.13 N ATOM 0 H LYS A 622 9.002 -28.655 3.297 1.00 15.13 H new ATOM 0 HA LYS A 622 7.274 -26.982 5.075 1.00 62.42 H new ATOM 0 HB2 LYS A 622 8.698 -29.600 5.659 1.00 12.02 H new ATOM 0 HB3 LYS A 622 7.771 -28.650 6.803 1.00 12.02 H new ATOM 0 HG2 LYS A 622 5.840 -29.615 6.166 1.00 54.11 H new ATOM 0 HG3 LYS A 622 6.133 -29.244 4.478 1.00 54.11 H new ATOM 0 HD2 LYS A 622 5.969 -31.630 4.620 1.00 13.23 H new ATOM 0 HD3 LYS A 622 7.665 -31.270 4.368 1.00 13.23 H new ATOM 0 HE2 LYS A 622 8.278 -31.931 6.514 1.00 52.42 H new ATOM 0 HE3 LYS A 622 6.725 -31.514 7.211 1.00 52.42 H new ATOM 0 HZ1 LYS A 622 6.814 -33.854 7.162 1.00 11.13 H new ATOM 0 HZ2 LYS A 622 5.788 -33.435 5.875 1.00 11.13 H new ATOM 0 HZ3 LYS A 622 7.392 -33.900 5.566 1.00 11.13 H new ATOM 1470 N TRP A 623 9.388 -25.904 5.976 1.00 42.35 N ATOM 1471 CA TRP A 623 10.616 -25.181 6.309 1.00 11.13 C ATOM 1472 C TRP A 623 11.172 -25.729 7.584 1.00 14.02 C ATOM 1473 O TRP A 623 10.610 -25.506 8.657 1.00 63.12 O ATOM 1474 CB TRP A 623 10.235 -23.740 6.523 1.00 43.33 C ATOM 1475 CG TRP A 623 11.273 -22.754 6.260 1.00 45.21 C ATOM 1476 CD1 TRP A 623 12.522 -22.922 5.762 1.00 65.02 C ATOM 1477 CD2 TRP A 623 11.157 -21.372 6.535 1.00 52.42 C ATOM 1478 NE1 TRP A 623 13.163 -21.738 5.624 1.00 55.30 N ATOM 1479 CE2 TRP A 623 12.356 -20.745 6.097 1.00 23.43 C ATOM 1480 CE3 TRP A 623 10.187 -20.608 7.181 1.00 41.41 C ATOM 1481 CZ2 TRP A 623 12.573 -19.362 6.236 1.00 75.30 C ATOM 1482 CZ3 TRP A 623 10.418 -19.274 7.404 1.00 51.43 C ATOM 1483 CH2 TRP A 623 11.598 -18.625 6.892 1.00 71.42 C ATOM 0 H TRP A 623 8.531 -25.444 6.282 1.00 42.35 H new ATOM 0 HA TRP A 623 11.359 -25.280 5.518 1.00 11.13 H new ATOM 0 HB2 TRP A 623 9.379 -23.514 5.887 1.00 43.33 H new ATOM 0 HB3 TRP A 623 9.905 -23.623 7.555 1.00 43.33 H new ATOM 0 HD1 TRP A 623 12.952 -23.880 5.507 1.00 65.02 H new ATOM 0 HE1 TRP A 623 14.096 -21.609 5.231 1.00 55.30 H new ATOM 0 HE3 TRP A 623 9.262 -21.062 7.503 1.00 41.41 H new ATOM 0 HZ2 TRP A 623 13.464 -18.892 5.847 1.00 75.30 H new ATOM 0 HZ3 TRP A 623 9.702 -18.700 7.974 1.00 51.43 H new ATOM 0 HH2 TRP A 623 11.724 -17.560 7.020 1.00 71.42 H new ATOM 1494 N MET A 624 12.308 -26.411 7.500 1.00 11.43 N ATOM 1495 CA MET A 624 12.975 -26.684 8.723 1.00 11.41 C ATOM 1496 C MET A 624 14.397 -26.179 8.779 1.00 24.41 C ATOM 1497 O MET A 624 15.384 -26.886 8.966 1.00 15.41 O ATOM 1498 CB MET A 624 13.237 -28.144 8.599 1.00 25.30 C ATOM 1499 CG MET A 624 12.088 -29.074 8.245 1.00 22.21 C ATOM 1500 SD MET A 624 10.877 -29.311 9.524 1.00 1.53 S ATOM 1501 CE MET A 624 10.089 -30.762 8.848 1.00 31.34 C ATOM 0 H MET A 624 12.748 -26.757 6.647 1.00 11.43 H new ATOM 0 HA MET A 624 12.389 -26.273 9.545 1.00 11.41 H new ATOM 0 HB2 MET A 624 14.011 -28.276 7.843 1.00 25.30 H new ATOM 0 HB3 MET A 624 13.655 -28.484 9.546 1.00 25.30 H new ATOM 0 HG2 MET A 624 11.586 -28.683 7.360 1.00 22.21 H new ATOM 0 HG3 MET A 624 12.500 -30.046 7.974 1.00 22.21 H new ATOM 0 HE1 MET A 624 9.284 -31.081 9.510 1.00 31.34 H new ATOM 0 HE2 MET A 624 9.679 -30.529 7.865 1.00 31.34 H new ATOM 0 HE3 MET A 624 10.821 -31.564 8.755 1.00 31.34 H new ATOM 1511 N GLU A 625 14.368 -24.930 9.073 1.00 44.15 N ATOM 1512 CA GLU A 625 15.318 -24.190 9.861 1.00 22.34 C ATOM 1513 C GLU A 625 14.415 -23.099 10.390 1.00 73.21 C ATOM 1514 O GLU A 625 14.702 -22.053 9.988 1.00 4.13 O ATOM 1515 CB GLU A 625 16.267 -23.625 8.778 1.00 64.02 C ATOM 1516 CG GLU A 625 17.276 -22.495 9.108 1.00 23.11 C ATOM 1517 CD GLU A 625 18.518 -22.476 8.226 1.00 51.35 C ATOM 1518 OE1 GLU A 625 18.934 -23.534 7.718 1.00 1.40 O ATOM 1519 OE2 GLU A 625 19.025 -21.366 7.962 1.00 72.22 O ATOM 0 H GLU A 625 13.611 -24.333 8.742 1.00 44.15 H new ATOM 0 HA GLU A 625 15.882 -24.692 10.647 1.00 22.34 H new ATOM 0 HB2 GLU A 625 16.844 -24.465 8.390 1.00 64.02 H new ATOM 0 HB3 GLU A 625 15.641 -23.265 7.962 1.00 64.02 H new ATOM 0 HG2 GLU A 625 16.768 -21.535 9.018 1.00 23.11 H new ATOM 0 HG3 GLU A 625 17.587 -22.595 10.148 1.00 23.11 H new ATOM 1526 N ARG A 626 13.648 -23.142 11.463 1.00 70.32 N ATOM 1527 CA ARG A 626 12.799 -21.946 11.871 1.00 24.05 C ATOM 1528 C ARG A 626 11.773 -22.428 12.871 1.00 51.12 C ATOM 1529 O ARG A 626 11.655 -21.892 13.956 1.00 23.44 O ATOM 1530 CB ARG A 626 11.927 -21.167 10.736 1.00 20.11 C ATOM 1531 CG ARG A 626 12.586 -20.499 9.539 1.00 24.01 C ATOM 1532 CD ARG A 626 13.430 -19.303 9.872 1.00 73.41 C ATOM 1533 NE ARG A 626 12.499 -18.182 10.088 1.00 35.45 N ATOM 1534 CZ ARG A 626 12.805 -16.967 10.511 1.00 20.11 C ATOM 1535 NH1 ARG A 626 14.026 -16.599 10.800 1.00 50.32 N ATOM 1536 NH2 ARG A 626 11.839 -16.115 10.639 1.00 14.13 N ATOM 0 H ARG A 626 13.568 -23.951 12.079 1.00 70.32 H new ATOM 0 HA ARG A 626 13.547 -21.232 12.216 1.00 24.05 H new ATOM 0 HB2 ARG A 626 11.210 -21.886 10.341 1.00 20.11 H new ATOM 0 HB3 ARG A 626 11.354 -20.396 11.252 1.00 20.11 H new ATOM 0 HG2 ARG A 626 13.208 -21.234 9.027 1.00 24.01 H new ATOM 0 HG3 ARG A 626 11.809 -20.194 8.837 1.00 24.01 H new ATOM 0 HD2 ARG A 626 14.029 -19.487 10.764 1.00 73.41 H new ATOM 0 HD3 ARG A 626 14.124 -19.080 9.062 1.00 73.41 H new ATOM 0 HE ARG A 626 11.515 -18.362 9.890 1.00 35.45 H new ATOM 0 HH11 ARG A 626 14.795 -17.262 10.703 1.00 50.32 H new ATOM 0 HH12 ARG A 626 14.209 -15.649 11.123 1.00 50.32 H new ATOM 0 HH21 ARG A 626 10.883 -16.391 10.416 1.00 14.13 H new ATOM 0 HH22 ARG A 626 12.034 -15.168 10.963 1.00 14.13 H new ATOM 1916 N GLY A 650 7.211 -17.456 6.547 1.00 73.44 N ATOM 1917 CA GLY A 650 8.058 -17.803 5.413 1.00 10.13 C ATOM 1918 C GLY A 650 7.713 -19.084 4.691 1.00 74.42 C ATOM 1919 O GLY A 650 8.595 -19.705 4.111 1.00 5.23 O ATOM 0 HA2 GLY A 650 8.021 -16.984 4.695 1.00 10.13 H new ATOM 0 HA3 GLY A 650 9.088 -17.874 5.763 1.00 10.13 H new ATOM 1923 N LYS A 651 6.463 -19.528 4.763 1.00 41.03 N ATOM 1924 CA LYS A 651 6.087 -20.845 4.254 1.00 2.14 C ATOM 1925 C LYS A 651 6.391 -21.009 2.766 1.00 31.53 C ATOM 1926 O LYS A 651 5.804 -20.323 1.933 1.00 54.55 O ATOM 1927 CB LYS A 651 4.586 -21.067 4.476 1.00 23.04 C ATOM 1928 CG LYS A 651 4.256 -22.136 5.512 1.00 43.35 C ATOM 1929 CD LYS A 651 3.603 -23.382 4.865 1.00 12.42 C ATOM 1930 CE LYS A 651 4.627 -24.253 4.130 1.00 51.23 C ATOM 1931 NZ LYS A 651 3.994 -25.298 3.255 1.00 14.03 N ATOM 0 H LYS A 651 5.692 -18.997 5.168 1.00 41.03 H new ATOM 0 HA LYS A 651 6.679 -21.580 4.799 1.00 2.14 H new ATOM 0 HB2 LYS A 651 4.133 -20.125 4.786 1.00 23.04 H new ATOM 0 HB3 LYS A 651 4.127 -21.344 3.527 1.00 23.04 H new ATOM 0 HG2 LYS A 651 5.167 -22.432 6.032 1.00 43.35 H new ATOM 0 HG3 LYS A 651 3.582 -21.720 6.261 1.00 43.35 H new ATOM 0 HD2 LYS A 651 3.111 -23.974 5.636 1.00 12.42 H new ATOM 0 HD3 LYS A 651 2.830 -23.064 4.166 1.00 12.42 H new ATOM 0 HE2 LYS A 651 5.266 -23.615 3.519 1.00 51.23 H new ATOM 0 HE3 LYS A 651 5.271 -24.742 4.861 1.00 51.23 H new ATOM 0 HZ1 LYS A 651 4.732 -25.918 2.865 1.00 14.03 H new ATOM 0 HZ2 LYS A 651 3.327 -25.864 3.817 1.00 14.03 H new ATOM 0 HZ3 LYS A 651 3.484 -24.836 2.476 1.00 14.03 H new ATOM 1945 N PRO A 652 7.290 -21.952 2.412 1.00 40.45 N ATOM 1946 CA PRO A 652 7.485 -22.168 0.976 1.00 34.32 C ATOM 1947 C PRO A 652 6.259 -22.807 0.356 1.00 1.45 C ATOM 1948 O PRO A 652 5.464 -23.464 1.037 1.00 54.22 O ATOM 1949 CB PRO A 652 8.679 -23.119 0.930 1.00 43.42 C ATOM 1950 CG PRO A 652 8.612 -23.855 2.215 1.00 4.31 C ATOM 1951 CD PRO A 652 8.137 -22.855 3.212 1.00 24.40 C ATOM 0 HA PRO A 652 7.650 -21.245 0.420 1.00 34.32 H new ATOM 0 HB2 PRO A 652 8.614 -23.797 0.079 1.00 43.42 H new ATOM 0 HB3 PRO A 652 9.618 -22.574 0.832 1.00 43.42 H new ATOM 0 HG2 PRO A 652 7.928 -24.701 2.149 1.00 4.31 H new ATOM 0 HG3 PRO A 652 9.588 -24.254 2.492 1.00 4.31 H new ATOM 0 HD2 PRO A 652 7.573 -23.327 4.017 1.00 24.40 H new ATOM 0 HD3 PRO A 652 8.968 -22.322 3.674 1.00 24.40 H new ATOM 1959 N VAL A 653 6.115 -22.605 -0.939 1.00 20.34 N ATOM 1960 CA VAL A 653 4.970 -23.133 -1.689 1.00 2.53 C ATOM 1961 C VAL A 653 5.431 -23.785 -2.991 1.00 63.11 C ATOM 1962 O VAL A 653 6.604 -23.686 -3.371 1.00 63.44 O ATOM 1963 CB VAL A 653 3.912 -22.013 -1.994 1.00 53.31 C ATOM 1964 CG1 VAL A 653 3.338 -21.440 -0.686 1.00 43.42 C ATOM 1965 CG2 VAL A 653 4.512 -20.886 -2.834 1.00 3.35 C ATOM 0 H VAL A 653 6.777 -22.076 -1.506 1.00 20.34 H new ATOM 0 HA VAL A 653 4.493 -23.888 -1.064 1.00 2.53 H new ATOM 0 HB VAL A 653 3.108 -22.473 -2.568 1.00 53.31 H new ATOM 0 HG11 VAL A 653 2.607 -20.666 -0.918 1.00 43.42 H new ATOM 0 HG12 VAL A 653 2.855 -22.237 -0.121 1.00 43.42 H new ATOM 0 HG13 VAL A 653 4.145 -21.011 -0.092 1.00 43.42 H new ATOM 0 HG21 VAL A 653 3.751 -20.130 -3.025 1.00 3.35 H new ATOM 0 HG22 VAL A 653 5.345 -20.434 -2.295 1.00 3.35 H new ATOM 0 HG23 VAL A 653 4.869 -21.289 -3.782 1.00 3.35 H new ATOM 1975 N LEU A 654 4.514 -24.470 -3.654 1.00 75.50 N ATOM 1976 CA LEU A 654 4.798 -25.140 -4.919 1.00 4.42 C ATOM 1977 C LEU A 654 4.697 -24.131 -6.058 1.00 70.52 C ATOM 1978 O LEU A 654 4.067 -23.086 -5.919 1.00 73.11 O ATOM 1979 CB LEU A 654 3.792 -26.282 -5.165 1.00 43.54 C ATOM 1980 CG LEU A 654 3.809 -27.531 -4.256 1.00 35.40 C ATOM 1981 CD1 LEU A 654 5.223 -28.087 -4.113 1.00 63.25 C ATOM 1982 CD2 LEU A 654 3.185 -27.287 -2.880 1.00 11.11 C ATOM 0 H LEU A 654 3.552 -24.579 -3.334 1.00 75.50 H new ATOM 0 HA LEU A 654 5.804 -25.558 -4.875 1.00 4.42 H new ATOM 0 HB2 LEU A 654 2.792 -25.852 -5.108 1.00 43.54 H new ATOM 0 HB3 LEU A 654 3.933 -26.624 -6.190 1.00 43.54 H new ATOM 0 HG LEU A 654 3.185 -28.273 -4.753 1.00 35.40 H new ATOM 0 HD11 LEU A 654 5.205 -28.966 -3.468 1.00 63.25 H new ATOM 0 HD12 LEU A 654 5.605 -28.366 -5.095 1.00 63.25 H new ATOM 0 HD13 LEU A 654 5.870 -27.328 -3.674 1.00 63.25 H new ATOM 0 HD21 LEU A 654 3.229 -28.204 -2.293 1.00 11.11 H new ATOM 0 HD22 LEU A 654 3.735 -26.499 -2.365 1.00 11.11 H new ATOM 0 HD23 LEU A 654 2.145 -26.983 -3.001 1.00 11.11 H new ATOM 1994 N GLY A 655 5.337 -24.458 -7.170 1.00 31.33 N ATOM 1995 CA GLY A 655 5.337 -23.606 -8.345 1.00 72.22 C ATOM 1996 C GLY A 655 4.432 -24.103 -9.448 1.00 65.31 C ATOM 1997 O GLY A 655 3.442 -24.776 -9.206 1.00 24.34 O ATOM 0 H GLY A 655 5.870 -25.321 -7.282 1.00 31.33 H new ATOM 0 HA2 GLY A 655 5.027 -22.602 -8.056 1.00 72.22 H new ATOM 0 HA3 GLY A 655 6.355 -23.528 -8.728 1.00 72.22 H new ATOM 2001 N GLU A 656 4.800 -23.767 -10.675 1.00 25.43 N ATOM 2002 CA GLU A 656 4.016 -24.124 -11.856 1.00 61.35 C ATOM 2003 C GLU A 656 4.202 -25.579 -12.280 1.00 2.02 C ATOM 2004 O GLU A 656 3.261 -26.226 -12.722 1.00 4.12 O ATOM 2005 CB GLU A 656 4.462 -23.263 -13.029 1.00 20.54 C ATOM 2006 CG GLU A 656 4.203 -21.786 -12.889 1.00 51.04 C ATOM 2007 CD GLU A 656 4.785 -21.016 -14.066 1.00 42.25 C ATOM 2008 OE1 GLU A 656 5.346 -21.662 -14.990 1.00 74.41 O ATOM 2009 OE2 GLU A 656 4.731 -19.772 -14.045 1.00 42.15 O ATOM 0 H GLU A 656 5.648 -23.240 -10.884 1.00 25.43 H new ATOM 0 HA GLU A 656 2.970 -23.967 -11.592 1.00 61.35 H new ATOM 0 HB2 GLU A 656 5.531 -23.413 -13.181 1.00 20.54 H new ATOM 0 HB3 GLU A 656 3.959 -23.618 -13.929 1.00 20.54 H new ATOM 0 HG2 GLU A 656 3.130 -21.606 -12.827 1.00 51.04 H new ATOM 0 HG3 GLU A 656 4.642 -21.423 -11.960 1.00 51.04 H new ATOM 2016 N HIS A 657 5.429 -26.081 -12.170 1.00 34.45 N ATOM 2017 CA HIS A 657 5.752 -27.441 -12.620 1.00 34.53 C ATOM 2018 C HIS A 657 6.362 -28.312 -11.506 1.00 0.13 C ATOM 2019 O HIS A 657 7.428 -28.865 -11.684 1.00 50.05 O ATOM 2020 CB HIS A 657 6.735 -27.359 -13.813 1.00 32.03 C ATOM 2021 CG HIS A 657 6.382 -26.297 -14.816 1.00 73.31 C ATOM 2022 ND1 HIS A 657 5.644 -26.530 -15.984 1.00 42.54 N ATOM 2023 CD2 HIS A 657 6.662 -24.966 -14.850 1.00 71.43 C ATOM 2024 CE1 HIS A 657 5.491 -25.378 -16.627 1.00 63.11 C ATOM 2025 NE2 HIS A 657 6.088 -24.429 -15.958 1.00 73.20 N ATOM 0 H HIS A 657 6.218 -25.571 -11.774 1.00 34.45 H new ATOM 0 HA HIS A 657 4.818 -27.917 -12.918 1.00 34.53 H new ATOM 0 HB2 HIS A 657 7.738 -27.168 -13.433 1.00 32.03 H new ATOM 0 HB3 HIS A 657 6.764 -28.326 -14.316 1.00 32.03 H new ATOM 0 HD1 HIS A 657 5.284 -27.434 -16.290 1.00 42.54 H new ATOM 0 HD2 HIS A 657 7.244 -24.426 -14.118 1.00 71.43 H new ATOM 0 HE1 HIS A 657 4.957 -25.247 -17.557 1.00 63.11 H new ATOM 2033 N PRO A 658 5.697 -28.451 -10.339 1.00 51.42 N ATOM 2034 CA PRO A 658 6.225 -29.281 -9.243 1.00 22.30 C ATOM 2035 C PRO A 658 6.036 -30.786 -9.474 1.00 23.53 C ATOM 2036 O PRO A 658 5.919 -31.566 -8.526 1.00 32.22 O ATOM 2037 CB PRO A 658 5.378 -28.820 -8.058 1.00 74.44 C ATOM 2038 CG PRO A 658 4.072 -28.544 -8.677 1.00 71.44 C ATOM 2039 CD PRO A 658 4.408 -27.850 -9.942 1.00 50.11 C ATOM 0 HA PRO A 658 7.301 -29.161 -9.119 1.00 22.30 H new ATOM 0 HB2 PRO A 658 5.306 -29.589 -7.289 1.00 74.44 H new ATOM 0 HB3 PRO A 658 5.796 -27.932 -7.583 1.00 74.44 H new ATOM 0 HG2 PRO A 658 3.517 -29.464 -8.863 1.00 71.44 H new ATOM 0 HG3 PRO A 658 3.450 -27.921 -8.034 1.00 71.44 H new ATOM 0 HD2 PRO A 658 3.642 -28.008 -10.701 1.00 50.11 H new ATOM 0 HD3 PRO A 658 4.496 -26.773 -9.797 1.00 50.11 H new ATOM 2047 N LYS A 659 5.935 -31.172 -10.735 1.00 11.23 N ATOM 2048 CA LYS A 659 5.653 -32.538 -11.124 1.00 3.53 C ATOM 2049 C LYS A 659 6.326 -32.783 -12.454 1.00 11.11 C ATOM 2050 O LYS A 659 6.451 -31.857 -13.243 1.00 74.13 O ATOM 2051 CB LYS A 659 4.150 -32.676 -11.304 1.00 0.25 C ATOM 2052 CG LYS A 659 3.669 -34.096 -11.564 1.00 20.21 C ATOM 2053 CD LYS A 659 2.609 -34.500 -10.572 1.00 13.21 C ATOM 2054 CE LYS A 659 1.269 -33.944 -10.951 1.00 13.41 C ATOM 2055 NZ LYS A 659 0.180 -34.410 -10.032 1.00 35.10 N ATOM 0 H LYS A 659 6.048 -30.536 -11.524 1.00 11.23 H new ATOM 0 HA LYS A 659 6.010 -33.245 -10.376 1.00 3.53 H new ATOM 0 HB2 LYS A 659 3.654 -32.297 -10.410 1.00 0.25 H new ATOM 0 HB3 LYS A 659 3.838 -32.043 -12.135 1.00 0.25 H new ATOM 0 HG2 LYS A 659 3.271 -34.169 -12.576 1.00 20.21 H new ATOM 0 HG3 LYS A 659 4.511 -34.785 -11.502 1.00 20.21 H new ATOM 0 HD2 LYS A 659 2.552 -35.587 -10.519 1.00 13.21 H new ATOM 0 HD3 LYS A 659 2.884 -34.147 -9.578 1.00 13.21 H new ATOM 0 HE2 LYS A 659 1.313 -32.855 -10.937 1.00 13.41 H new ATOM 0 HE3 LYS A 659 1.031 -34.240 -11.973 1.00 13.41 H new ATOM 0 HZ1 LYS A 659 -0.727 -34.000 -10.333 1.00 35.10 H new ATOM 0 HZ2 LYS A 659 0.119 -35.448 -10.064 1.00 35.10 H new ATOM 0 HZ3 LYS A 659 0.392 -34.106 -9.060 1.00 35.10 H new ATOM 2069 N LEU A 660 6.712 -34.023 -12.704 1.00 52.30 N ATOM 2070 CA LEU A 660 7.278 -34.421 -13.982 1.00 32.13 C ATOM 2071 C LEU A 660 6.509 -35.637 -14.460 1.00 62.43 C ATOM 2072 O LEU A 660 6.452 -36.637 -13.752 1.00 43.52 O ATOM 2073 CB LEU A 660 8.771 -34.753 -13.826 1.00 60.43 C ATOM 2074 CG LEU A 660 9.476 -35.264 -15.083 1.00 52.24 C ATOM 2075 CD1 LEU A 660 9.196 -34.364 -16.252 1.00 62.42 C ATOM 2076 CD2 LEU A 660 10.976 -35.370 -14.861 1.00 53.14 C ATOM 0 H LEU A 660 6.642 -34.782 -12.027 1.00 52.30 H new ATOM 0 HA LEU A 660 7.197 -33.611 -14.707 1.00 32.13 H new ATOM 0 HB2 LEU A 660 9.288 -33.858 -13.481 1.00 60.43 H new ATOM 0 HB3 LEU A 660 8.877 -35.504 -13.043 1.00 60.43 H new ATOM 0 HG LEU A 660 9.086 -36.258 -15.301 1.00 52.24 H new ATOM 0 HD11 LEU A 660 9.707 -34.746 -17.136 1.00 62.42 H new ATOM 0 HD12 LEU A 660 8.123 -34.333 -16.439 1.00 62.42 H new ATOM 0 HD13 LEU A 660 9.555 -33.359 -16.031 1.00 62.42 H new ATOM 0 HD21 LEU A 660 11.453 -35.736 -15.770 1.00 53.14 H new ATOM 0 HD22 LEU A 660 11.377 -34.388 -14.610 1.00 53.14 H new ATOM 0 HD23 LEU A 660 11.175 -36.063 -14.043 1.00 53.14 H new ATOM 2088 N GLU A 661 5.895 -35.528 -15.628 1.00 65.33 N ATOM 2089 CA GLU A 661 5.150 -36.629 -16.234 1.00 33.21 C ATOM 2090 C GLU A 661 6.096 -37.480 -17.057 1.00 41.15 C ATOM 2091 O GLU A 661 6.762 -36.978 -17.951 1.00 1.53 O ATOM 2092 CB GLU A 661 4.048 -36.080 -17.137 1.00 42.21 C ATOM 2093 CG GLU A 661 3.250 -37.170 -17.802 1.00 42.35 C ATOM 2094 CD GLU A 661 1.808 -36.759 -18.056 1.00 62.50 C ATOM 2095 OE1 GLU A 661 1.081 -36.507 -17.068 1.00 42.25 O ATOM 2096 OE2 GLU A 661 1.393 -36.713 -19.230 1.00 61.31 O ATOM 0 H GLU A 661 5.897 -34.674 -16.186 1.00 65.33 H new ATOM 0 HA GLU A 661 4.699 -37.233 -15.446 1.00 33.21 H new ATOM 0 HB2 GLU A 661 3.379 -35.453 -16.548 1.00 42.21 H new ATOM 0 HB3 GLU A 661 4.493 -35.442 -17.901 1.00 42.21 H new ATOM 0 HG2 GLU A 661 3.721 -37.436 -18.748 1.00 42.35 H new ATOM 0 HG3 GLU A 661 3.266 -38.062 -17.176 1.00 42.35 H new ATOM 2103 N VAL A 662 6.168 -38.755 -16.725 1.00 74.13 N ATOM 2104 CA VAL A 662 7.078 -39.706 -17.345 1.00 71.23 C ATOM 2105 C VAL A 662 6.246 -40.720 -18.087 1.00 54.00 C ATOM 2106 O VAL A 662 5.257 -41.249 -17.580 1.00 21.11 O ATOM 2107 CB VAL A 662 7.935 -40.438 -16.274 1.00 61.31 C ATOM 2108 CG1 VAL A 662 9.140 -41.148 -16.833 1.00 11.53 C ATOM 2109 CG2 VAL A 662 8.181 -39.592 -15.006 1.00 0.22 C ATOM 0 H VAL A 662 5.583 -39.170 -16.000 1.00 74.13 H new ATOM 0 HA VAL A 662 7.754 -39.177 -18.017 1.00 71.23 H new ATOM 0 HB VAL A 662 7.320 -41.263 -15.914 1.00 61.31 H new ATOM 0 HG11 VAL A 662 9.685 -41.633 -16.023 1.00 11.53 H new ATOM 0 HG12 VAL A 662 8.818 -41.899 -17.554 1.00 11.53 H new ATOM 0 HG13 VAL A 662 9.791 -40.426 -17.327 1.00 11.53 H new ATOM 0 HG21 VAL A 662 8.785 -40.162 -14.300 1.00 0.22 H new ATOM 0 HG22 VAL A 662 8.706 -38.676 -15.276 1.00 0.22 H new ATOM 0 HG23 VAL A 662 7.226 -39.340 -14.546 1.00 0.22 H new ATOM 2119 N ILE A 663 6.667 -40.967 -19.308 1.00 34.42 N ATOM 2120 CA ILE A 663 6.048 -41.943 -20.173 1.00 12.24 C ATOM 2121 C ILE A 663 7.099 -43.017 -20.295 1.00 62.54 C ATOM 2122 O ILE A 663 8.277 -42.707 -20.477 1.00 74.23 O ATOM 2123 CB ILE A 663 5.734 -41.319 -21.554 1.00 2.41 C ATOM 2124 CG1 ILE A 663 4.544 -40.338 -21.441 1.00 61.13 C ATOM 2125 CG2 ILE A 663 5.480 -42.403 -22.603 1.00 13.40 C ATOM 2126 CD1 ILE A 663 3.153 -41.010 -21.451 1.00 13.00 C ATOM 0 H ILE A 663 7.461 -40.488 -19.733 1.00 34.42 H new ATOM 0 HA ILE A 663 5.100 -42.320 -19.789 1.00 12.24 H new ATOM 0 HB ILE A 663 6.604 -40.752 -21.886 1.00 2.41 H new ATOM 0 HG12 ILE A 663 4.649 -39.764 -20.520 1.00 61.13 H new ATOM 0 HG13 ILE A 663 4.596 -39.628 -22.266 1.00 61.13 H new ATOM 0 HG21 ILE A 663 5.262 -41.936 -23.563 1.00 13.40 H new ATOM 0 HG22 ILE A 663 6.365 -43.032 -22.698 1.00 13.40 H new ATOM 0 HG23 ILE A 663 4.632 -43.015 -22.296 1.00 13.40 H new ATOM 0 HD11 ILE A 663 2.379 -40.247 -21.368 1.00 13.00 H new ATOM 0 HD12 ILE A 663 3.021 -41.560 -22.383 1.00 13.00 H new ATOM 0 HD13 ILE A 663 3.075 -41.698 -20.609 1.00 13.00 H new ATOM 2138 N ILE A 664 6.697 -44.264 -20.162 1.00 53.15 N ATOM 2139 CA ILE A 664 7.614 -45.380 -20.323 1.00 1.52 C ATOM 2140 C ILE A 664 7.449 -45.865 -21.767 1.00 61.25 C ATOM 2141 O ILE A 664 6.377 -46.330 -22.158 1.00 25.15 O ATOM 2142 CB ILE A 664 7.360 -46.482 -19.262 1.00 4.13 C ATOM 2143 CG1 ILE A 664 7.422 -45.837 -17.853 1.00 24.22 C ATOM 2144 CG2 ILE A 664 8.415 -47.594 -19.401 1.00 22.41 C ATOM 2145 CD1 ILE A 664 7.236 -46.785 -16.667 1.00 63.54 C ATOM 0 H ILE A 664 5.738 -44.534 -19.942 1.00 53.15 H new ATOM 0 HA ILE A 664 8.649 -45.083 -20.154 1.00 1.52 H new ATOM 0 HB ILE A 664 6.377 -46.929 -19.410 1.00 4.13 H new ATOM 0 HG12 ILE A 664 8.386 -45.340 -17.746 1.00 24.22 H new ATOM 0 HG13 ILE A 664 6.656 -45.063 -17.796 1.00 24.22 H new ATOM 0 HG21 ILE A 664 8.231 -48.365 -18.653 1.00 22.41 H new ATOM 0 HG22 ILE A 664 8.353 -48.032 -20.397 1.00 22.41 H new ATOM 0 HG23 ILE A 664 9.409 -47.173 -19.252 1.00 22.41 H new ATOM 0 HD11 ILE A 664 7.299 -46.221 -15.737 1.00 63.54 H new ATOM 0 HD12 ILE A 664 6.260 -47.265 -16.735 1.00 63.54 H new ATOM 0 HD13 ILE A 664 8.016 -47.546 -16.683 1.00 63.54 H new