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 -160:sc= 0.339 USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.08) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot 23:sc= 0.798 USER MOD Single : A 548 MET CE :methyl 139:sc= -0.798 (180deg=-4.66!) USER MOD Single : A 551 LYS NZ :NH3+ -152:sc= 0.514 (180deg=0.395) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 561 THR OG1 : rot 79:sc= 1.12 USER MOD Single : A 568 THR OG1 : rot -150:sc= 0.711 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -114:sc= -0.522! (180deg=-1.61!) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -130:sc= 0.846 (180deg=-0.0593) USER MOD Single : A 591 ASN : amide:sc= -1.04 K(o=-1,f=0) USER MOD Single : A 594 THR OG1 : rot -170:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -174:sc= 0.555 (180deg=0.513) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -172:sc= -0.479 (180deg=-0.592) USER MOD Single : A 613 ASN : amide:sc= -0.296 K(o=-0.3,f=-2.6!) USER MOD Single : A 622 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.15) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 179:sc= 1.56 (180deg=1.56) USER MOD Single : A 657 HIS : no HD1:sc= -0.379 X(o=-0.38,f=-0.12) USER MOD Single : A 659 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.182) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.677 -18.632 2.090 1.00 41.45 N ATOM 19 CA ALA A 529 11.295 -19.874 1.643 1.00 63.23 C ATOM 20 C ALA A 529 10.982 -20.117 0.156 1.00 24.02 C ATOM 21 O ALA A 529 9.896 -19.791 -0.322 1.00 13.44 O ATOM 22 CB ALA A 529 10.782 -21.007 2.467 1.00 64.10 C ATOM 0 HA ALA A 529 12.376 -19.801 1.762 1.00 63.23 H new ATOM 0 HB1 ALA A 529 11.243 -21.937 2.134 1.00 64.10 H new ATOM 0 HB2 ALA A 529 11.027 -20.835 3.515 1.00 64.10 H new ATOM 0 HB3 ALA A 529 9.700 -21.078 2.355 1.00 64.10 H new ATOM 28 N GLY A 530 11.945 -20.669 -0.571 1.00 52.45 N ATOM 29 CA GLY A 530 11.783 -20.835 -2.004 1.00 4.31 C ATOM 30 C GLY A 530 10.645 -21.713 -2.479 1.00 33.44 C ATOM 31 O GLY A 530 10.262 -22.681 -1.842 1.00 12.42 O ATOM 0 H GLY A 530 12.833 -21.004 -0.197 1.00 52.45 H new ATOM 0 HA2 GLY A 530 11.653 -19.847 -2.445 1.00 4.31 H new ATOM 0 HA3 GLY A 530 12.712 -21.242 -2.403 1.00 4.31 H new ATOM 35 N ILE A 531 10.167 -21.384 -3.669 1.00 14.04 N ATOM 36 CA ILE A 531 9.215 -22.201 -4.409 1.00 1.53 C ATOM 37 C ILE A 531 10.041 -23.334 -4.988 1.00 32.31 C ATOM 38 O ILE A 531 11.179 -23.099 -5.395 1.00 54.14 O ATOM 39 CB ILE A 531 8.566 -21.370 -5.574 1.00 73.10 C ATOM 40 CG1 ILE A 531 7.366 -20.570 -5.044 1.00 54.54 C ATOM 41 CG2 ILE A 531 8.070 -22.259 -6.700 1.00 50.14 C ATOM 42 CD1 ILE A 531 7.703 -19.235 -4.368 1.00 21.21 C ATOM 0 H ILE A 531 10.433 -20.528 -4.156 1.00 14.04 H new ATOM 0 HA ILE A 531 8.404 -22.555 -3.773 1.00 1.53 H new ATOM 0 HB ILE A 531 9.341 -20.707 -5.959 1.00 73.10 H new ATOM 0 HG12 ILE A 531 6.688 -20.375 -5.875 1.00 54.54 H new ATOM 0 HG13 ILE A 531 6.825 -21.191 -4.330 1.00 54.54 H new ATOM 0 HG21 ILE A 531 7.629 -21.642 -7.483 1.00 50.14 H new ATOM 0 HG22 ILE A 531 8.905 -22.825 -7.111 1.00 50.14 H new ATOM 0 HG23 ILE A 531 7.319 -22.949 -6.315 1.00 50.14 H new ATOM 0 HD11 ILE A 531 6.784 -18.755 -4.032 1.00 21.21 H new ATOM 0 HD12 ILE A 531 8.352 -19.415 -3.511 1.00 21.21 H new ATOM 0 HD13 ILE A 531 8.213 -18.585 -5.080 1.00 21.21 H new ATOM 54 N PHE A 532 9.473 -24.533 -5.047 1.00 53.05 N ATOM 55 CA PHE A 532 10.141 -25.691 -5.647 1.00 62.13 C ATOM 56 C PHE A 532 9.341 -26.188 -6.826 1.00 55.20 C ATOM 57 O PHE A 532 8.107 -26.228 -6.780 1.00 20.12 O ATOM 58 CB PHE A 532 10.261 -26.814 -4.638 1.00 32.22 C ATOM 59 CG PHE A 532 11.085 -26.447 -3.447 1.00 74.20 C ATOM 60 CD1 PHE A 532 10.499 -25.808 -2.347 1.00 40.50 C ATOM 61 CD2 PHE A 532 12.466 -26.707 -3.429 1.00 34.03 C ATOM 62 CE1 PHE A 532 11.275 -25.419 -1.244 1.00 50.14 C ATOM 63 CE2 PHE A 532 13.255 -26.319 -2.322 1.00 73.34 C ATOM 64 CZ PHE A 532 12.659 -25.675 -1.229 1.00 51.33 C ATOM 0 H PHE A 532 8.541 -24.733 -4.683 1.00 53.05 H new ATOM 0 HA PHE A 532 11.136 -25.383 -5.970 1.00 62.13 H new ATOM 0 HB2 PHE A 532 9.264 -27.105 -4.307 1.00 32.22 H new ATOM 0 HB3 PHE A 532 10.702 -27.685 -5.123 1.00 32.22 H new ATOM 0 HD1 PHE A 532 9.437 -25.612 -2.348 1.00 40.50 H new ATOM 0 HD2 PHE A 532 12.928 -27.207 -4.267 1.00 34.03 H new ATOM 0 HE1 PHE A 532 10.809 -24.922 -0.405 1.00 50.14 H new ATOM 0 HE2 PHE A 532 14.316 -26.519 -2.318 1.00 73.34 H new ATOM 0 HZ PHE A 532 13.258 -25.377 -0.381 1.00 51.33 H new ATOM 74 N THR A 533 10.039 -26.552 -7.885 1.00 31.25 N ATOM 75 CA THR A 533 9.401 -26.964 -9.124 1.00 23.44 C ATOM 76 C THR A 533 10.401 -27.851 -9.871 1.00 52.11 C ATOM 77 O THR A 533 11.579 -27.887 -9.513 1.00 71.15 O ATOM 78 CB THR A 533 8.993 -25.698 -9.934 1.00 32.01 C ATOM 79 OG1 THR A 533 8.180 -26.066 -11.046 1.00 5.00 O ATOM 80 CG2 THR A 533 10.185 -24.951 -10.434 1.00 71.44 C ATOM 0 H THR A 533 11.058 -26.571 -7.913 1.00 31.25 H new ATOM 0 HA THR A 533 8.487 -27.533 -8.953 1.00 23.44 H new ATOM 0 HB THR A 533 8.436 -25.049 -9.258 1.00 32.01 H new ATOM 0 HG1 THR A 533 8.191 -25.346 -11.711 1.00 5.00 H new ATOM 0 HG21 THR A 533 9.857 -24.075 -10.994 1.00 71.44 H new ATOM 0 HG22 THR A 533 10.796 -24.634 -9.589 1.00 71.44 H new ATOM 0 HG23 THR A 533 10.773 -25.598 -11.085 1.00 71.44 H new ATOM 88 N PHE A 534 9.934 -28.598 -10.858 1.00 13.23 N ATOM 89 CA PHE A 534 10.786 -29.515 -11.614 1.00 3.50 C ATOM 90 C PHE A 534 11.240 -28.880 -12.921 1.00 43.31 C ATOM 91 O PHE A 534 10.748 -27.833 -13.325 1.00 65.23 O ATOM 92 CB PHE A 534 10.026 -30.809 -11.932 1.00 12.45 C ATOM 93 CG PHE A 534 9.777 -31.703 -10.739 1.00 63.34 C ATOM 94 CD1 PHE A 534 10.303 -31.453 -9.453 1.00 61.32 C ATOM 95 CD2 PHE A 534 9.005 -32.839 -10.933 1.00 21.04 C ATOM 96 CE1 PHE A 534 10.013 -32.339 -8.380 1.00 42.34 C ATOM 97 CE2 PHE A 534 8.719 -33.732 -9.892 1.00 13.33 C ATOM 98 CZ PHE A 534 9.202 -33.483 -8.612 1.00 24.13 C ATOM 0 H PHE A 534 8.960 -28.590 -11.160 1.00 13.23 H new ATOM 0 HA PHE A 534 11.658 -29.739 -11.000 1.00 3.50 H new ATOM 0 HB2 PHE A 534 9.067 -30.550 -12.382 1.00 12.45 H new ATOM 0 HB3 PHE A 534 10.588 -31.370 -12.679 1.00 12.45 H new ATOM 0 HD1 PHE A 534 10.927 -30.587 -9.284 1.00 61.32 H new ATOM 0 HD2 PHE A 534 8.612 -33.042 -11.918 1.00 21.04 H new ATOM 0 HE1 PHE A 534 10.407 -32.144 -7.393 1.00 42.34 H new ATOM 0 HE2 PHE A 534 8.124 -34.613 -10.083 1.00 13.33 H new ATOM 0 HZ PHE A 534 8.963 -34.154 -7.800 1.00 24.13 H new ATOM 108 N GLU A 535 12.201 -29.538 -13.554 1.00 23.24 N ATOM 109 CA GLU A 535 12.789 -29.093 -14.823 1.00 45.02 C ATOM 110 C GLU A 535 11.829 -29.122 -15.996 1.00 44.23 C ATOM 111 O GLU A 535 11.846 -28.245 -16.857 1.00 13.14 O ATOM 112 CB GLU A 535 13.913 -30.056 -15.186 1.00 61.15 C ATOM 113 CG GLU A 535 15.227 -29.802 -14.498 1.00 73.50 C ATOM 114 CD GLU A 535 16.284 -30.788 -14.954 1.00 33.14 C ATOM 115 OE1 GLU A 535 16.025 -32.011 -14.871 1.00 55.12 O ATOM 116 OE2 GLU A 535 17.396 -30.366 -15.340 1.00 14.32 O ATOM 0 H GLU A 535 12.603 -30.407 -13.202 1.00 23.24 H new ATOM 0 HA GLU A 535 13.109 -28.063 -14.664 1.00 45.02 H new ATOM 0 HB2 GLU A 535 13.590 -31.070 -14.952 1.00 61.15 H new ATOM 0 HB3 GLU A 535 14.072 -30.013 -16.263 1.00 61.15 H new ATOM 0 HG2 GLU A 535 15.560 -28.785 -14.708 1.00 73.50 H new ATOM 0 HG3 GLU A 535 15.096 -29.878 -13.419 1.00 73.50 H new ATOM 123 N CYS A 536 11.067 -30.197 -16.070 1.00 62.04 N ATOM 124 CA CYS A 536 10.220 -30.481 -17.210 1.00 13.42 C ATOM 125 C CYS A 536 8.855 -30.850 -16.676 1.00 64.12 C ATOM 126 O CYS A 536 8.716 -31.133 -15.486 1.00 64.14 O ATOM 127 CB CYS A 536 10.796 -31.676 -17.987 1.00 51.52 C ATOM 128 SG CYS A 536 12.517 -31.467 -18.514 1.00 64.30 S ATOM 0 H CYS A 536 11.019 -30.902 -15.335 1.00 62.04 H new ATOM 0 HA CYS A 536 10.161 -29.618 -17.874 1.00 13.42 H new ATOM 0 HB2 CYS A 536 10.725 -32.567 -17.363 1.00 51.52 H new ATOM 0 HB3 CYS A 536 10.178 -31.853 -18.867 1.00 51.52 H new ATOM 0 HG CYS A 536 12.906 -32.528 -19.157 1.00 64.30 H new ATOM 134 N ASP A 537 7.873 -30.922 -17.558 1.00 55.34 N ATOM 135 CA ASP A 537 6.541 -31.395 -17.199 1.00 54.02 C ATOM 136 C ASP A 537 6.267 -32.741 -17.869 1.00 3.32 C ATOM 137 O ASP A 537 5.353 -33.452 -17.474 1.00 53.43 O ATOM 138 CB ASP A 537 5.474 -30.376 -17.611 1.00 10.35 C ATOM 139 CG ASP A 537 5.370 -30.203 -19.124 1.00 64.31 C ATOM 140 OD1 ASP A 537 6.421 -30.100 -19.798 1.00 51.32 O ATOM 141 OD2 ASP A 537 4.242 -30.150 -19.647 1.00 12.41 O ATOM 0 H ASP A 537 7.972 -30.657 -18.538 1.00 55.34 H new ATOM 0 HA ASP A 537 6.498 -31.519 -16.117 1.00 54.02 H new ATOM 0 HB2 ASP A 537 4.507 -30.692 -17.219 1.00 10.35 H new ATOM 0 HB3 ASP A 537 5.704 -29.413 -17.155 1.00 10.35 H new ATOM 146 N THR A 538 7.091 -33.107 -18.847 1.00 23.32 N ATOM 147 CA THR A 538 6.966 -34.367 -19.557 1.00 75.54 C ATOM 148 C THR A 538 8.372 -34.879 -19.880 1.00 34.14 C ATOM 149 O THR A 538 9.246 -34.122 -20.320 1.00 31.01 O ATOM 150 CB THR A 538 6.176 -34.197 -20.863 1.00 43.42 C ATOM 151 OG1 THR A 538 4.982 -33.453 -20.606 1.00 22.31 O ATOM 152 CG2 THR A 538 5.780 -35.538 -21.461 1.00 64.44 C ATOM 0 H THR A 538 7.868 -32.530 -19.168 1.00 23.32 H new ATOM 0 HA THR A 538 6.427 -35.075 -18.928 1.00 75.54 H new ATOM 0 HB THR A 538 6.820 -33.673 -21.569 1.00 43.42 H new ATOM 0 HG1 THR A 538 4.479 -33.343 -21.440 1.00 22.31 H new ATOM 0 HG21 THR A 538 5.223 -35.375 -22.384 1.00 64.44 H new ATOM 0 HG22 THR A 538 6.677 -36.119 -21.676 1.00 64.44 H new ATOM 0 HG23 THR A 538 5.156 -36.083 -20.752 1.00 64.44 H new ATOM 160 N ILE A 539 8.570 -36.155 -19.619 1.00 23.42 N ATOM 161 CA ILE A 539 9.835 -36.868 -19.814 1.00 4.52 C ATOM 162 C ILE A 539 9.524 -38.266 -20.369 1.00 72.21 C ATOM 163 O ILE A 539 8.409 -38.766 -20.220 1.00 32.41 O ATOM 164 CB ILE A 539 10.598 -36.978 -18.435 1.00 54.32 C ATOM 165 CG1 ILE A 539 12.042 -37.467 -18.618 1.00 23.45 C ATOM 166 CG2 ILE A 539 9.794 -37.845 -17.407 1.00 71.33 C ATOM 167 CD1 ILE A 539 12.334 -38.847 -18.037 1.00 61.34 C ATOM 0 H ILE A 539 7.832 -36.755 -19.251 1.00 23.42 H new ATOM 0 HA ILE A 539 10.471 -36.330 -20.517 1.00 4.52 H new ATOM 0 HB ILE A 539 10.668 -35.975 -18.015 1.00 54.32 H new ATOM 0 HG12 ILE A 539 12.272 -37.482 -19.683 1.00 23.45 H new ATOM 0 HG13 ILE A 539 12.715 -36.745 -18.156 1.00 23.45 H new ATOM 0 HG21 ILE A 539 10.346 -37.901 -16.469 1.00 71.33 H new ATOM 0 HG22 ILE A 539 8.820 -37.388 -17.229 1.00 71.33 H new ATOM 0 HG23 ILE A 539 9.656 -38.849 -17.808 1.00 71.33 H new ATOM 0 HD11 ILE A 539 13.378 -39.104 -18.216 1.00 61.34 H new ATOM 0 HD12 ILE A 539 12.141 -38.838 -16.964 1.00 61.34 H new ATOM 0 HD13 ILE A 539 11.691 -39.586 -18.515 1.00 61.34 H new ATOM 179 N HIS A 540 10.511 -38.905 -20.975 1.00 62.13 N ATOM 180 CA HIS A 540 10.408 -40.301 -21.381 1.00 14.51 C ATOM 181 C HIS A 540 11.591 -41.056 -20.784 1.00 11.10 C ATOM 182 O HIS A 540 12.727 -40.614 -20.929 1.00 24.41 O ATOM 183 CB HIS A 540 10.495 -40.428 -22.897 1.00 2.23 C ATOM 184 CG HIS A 540 9.172 -40.354 -23.592 1.00 0.42 C ATOM 185 ND1 HIS A 540 8.798 -41.220 -24.624 1.00 31.41 N ATOM 186 CD2 HIS A 540 8.103 -39.529 -23.431 1.00 23.50 C ATOM 187 CE1 HIS A 540 7.569 -40.915 -25.016 1.00 1.13 C ATOM 188 NE2 HIS A 540 7.137 -39.900 -24.316 1.00 54.10 N ATOM 0 H HIS A 540 11.407 -38.473 -21.200 1.00 62.13 H new ATOM 0 HA HIS A 540 9.454 -40.702 -21.038 1.00 14.51 H new ATOM 0 HB2 HIS A 540 11.140 -39.638 -23.281 1.00 2.23 H new ATOM 0 HB3 HIS A 540 10.971 -41.377 -23.145 1.00 2.23 H new ATOM 0 HD2 HIS A 540 8.032 -38.718 -22.722 1.00 23.50 H new ATOM 0 HE1 HIS A 540 7.014 -41.424 -25.790 1.00 1.13 H new ATOM 0 HE2 HIS A 540 6.224 -39.457 -24.416 1.00 54.10 H new ATOM 196 N VAL A 541 11.332 -42.197 -20.167 1.00 32.34 N ATOM 197 CA VAL A 541 12.406 -43.132 -19.773 1.00 44.24 C ATOM 198 C VAL A 541 12.131 -44.479 -20.421 1.00 34.40 C ATOM 199 O VAL A 541 11.103 -44.664 -21.050 1.00 74.20 O ATOM 200 CB VAL A 541 12.542 -43.360 -18.219 1.00 22.51 C ATOM 201 CG1 VAL A 541 12.926 -42.092 -17.517 1.00 13.54 C ATOM 202 CG2 VAL A 541 11.256 -43.932 -17.605 1.00 21.54 C ATOM 0 H VAL A 541 10.392 -42.510 -19.922 1.00 32.34 H new ATOM 0 HA VAL A 541 13.340 -42.679 -20.106 1.00 44.24 H new ATOM 0 HB VAL A 541 13.335 -44.094 -18.079 1.00 22.51 H new ATOM 0 HG11 VAL A 541 13.012 -42.280 -16.447 1.00 13.54 H new ATOM 0 HG12 VAL A 541 13.883 -41.739 -17.902 1.00 13.54 H new ATOM 0 HG13 VAL A 541 12.163 -41.334 -17.692 1.00 13.54 H new ATOM 0 HG21 VAL A 541 11.396 -44.073 -16.533 1.00 21.54 H new ATOM 0 HG22 VAL A 541 10.432 -43.239 -17.776 1.00 21.54 H new ATOM 0 HG23 VAL A 541 11.026 -44.891 -18.070 1.00 21.54 H new ATOM 212 N SER A 542 13.022 -45.423 -20.193 1.00 20.10 N ATOM 213 CA SER A 542 12.837 -46.815 -20.581 1.00 13.11 C ATOM 214 C SER A 542 13.055 -47.563 -19.282 1.00 2.11 C ATOM 215 O SER A 542 13.705 -47.029 -18.400 1.00 53.15 O ATOM 216 CB SER A 542 13.881 -47.214 -21.614 1.00 12.51 C ATOM 217 OG SER A 542 13.734 -46.422 -22.779 1.00 34.41 O ATOM 0 H SER A 542 13.911 -45.246 -19.725 1.00 20.10 H new ATOM 0 HA SER A 542 11.866 -47.017 -21.033 1.00 13.11 H new ATOM 0 HB2 SER A 542 14.881 -47.086 -21.201 1.00 12.51 H new ATOM 0 HB3 SER A 542 13.772 -48.269 -21.865 1.00 12.51 H new ATOM 0 HG SER A 542 14.410 -46.683 -23.439 1.00 34.41 H new ATOM 223 N GLU A 543 12.550 -48.773 -19.141 1.00 2.23 N ATOM 224 CA GLU A 543 12.733 -49.545 -17.904 1.00 13.23 C ATOM 225 C GLU A 543 14.203 -49.870 -17.647 1.00 31.15 C ATOM 226 O GLU A 543 14.653 -49.924 -16.501 1.00 61.32 O ATOM 227 CB GLU A 543 11.921 -50.852 -17.947 1.00 72.01 C ATOM 228 CG GLU A 543 11.644 -51.408 -19.352 1.00 11.43 C ATOM 229 CD GLU A 543 12.926 -51.668 -20.150 1.00 54.32 C ATOM 230 OE1 GLU A 543 13.676 -52.601 -19.813 1.00 61.25 O ATOM 231 OE2 GLU A 543 13.267 -50.812 -21.005 1.00 30.42 O ATOM 0 H GLU A 543 12.009 -49.252 -19.861 1.00 2.23 H new ATOM 0 HA GLU A 543 12.371 -48.920 -17.087 1.00 13.23 H new ATOM 0 HB2 GLU A 543 12.454 -51.610 -17.373 1.00 72.01 H new ATOM 0 HB3 GLU A 543 10.967 -50.684 -17.446 1.00 72.01 H new ATOM 0 HG2 GLU A 543 11.080 -52.337 -19.266 1.00 11.43 H new ATOM 0 HG3 GLU A 543 11.017 -50.704 -19.899 1.00 11.43 H new ATOM 238 N SER A 544 14.955 -50.014 -18.727 1.00 22.44 N ATOM 239 CA SER A 544 16.373 -50.367 -18.679 1.00 45.51 C ATOM 240 C SER A 544 17.228 -49.272 -18.049 1.00 73.01 C ATOM 241 O SER A 544 18.403 -49.482 -17.754 1.00 71.04 O ATOM 242 CB SER A 544 16.878 -50.652 -20.092 1.00 42.55 C ATOM 243 OG SER A 544 16.310 -51.843 -20.615 1.00 52.30 O ATOM 0 H SER A 544 14.598 -49.889 -19.674 1.00 22.44 H new ATOM 0 HA SER A 544 16.463 -51.255 -18.053 1.00 45.51 H new ATOM 0 HB2 SER A 544 16.633 -49.813 -20.744 1.00 42.55 H new ATOM 0 HB3 SER A 544 17.964 -50.740 -20.081 1.00 42.55 H new ATOM 0 HG SER A 544 15.467 -52.034 -20.153 1.00 52.30 H new ATOM 249 N ILE A 545 16.629 -48.115 -17.796 1.00 22.53 N ATOM 250 CA ILE A 545 17.316 -47.047 -17.087 1.00 63.31 C ATOM 251 C ILE A 545 17.574 -47.479 -15.638 1.00 24.23 C ATOM 252 O ILE A 545 18.495 -46.984 -14.977 1.00 53.21 O ATOM 253 CB ILE A 545 16.473 -45.747 -17.106 1.00 44.34 C ATOM 254 CG1 ILE A 545 17.387 -44.551 -16.823 1.00 11.12 C ATOM 255 CG2 ILE A 545 15.268 -45.837 -16.109 1.00 43.44 C ATOM 256 CD1 ILE A 545 16.657 -43.286 -16.554 1.00 30.11 C ATOM 0 H ILE A 545 15.672 -47.894 -18.071 1.00 22.53 H new ATOM 0 HA ILE A 545 18.265 -46.849 -17.585 1.00 63.31 H new ATOM 0 HB ILE A 545 16.033 -45.610 -18.094 1.00 44.34 H new ATOM 0 HG12 ILE A 545 18.019 -44.784 -15.966 1.00 11.12 H new ATOM 0 HG13 ILE A 545 18.049 -44.403 -17.676 1.00 11.12 H new ATOM 0 HG21 ILE A 545 14.696 -44.910 -16.145 1.00 43.44 H new ATOM 0 HG22 ILE A 545 14.625 -46.671 -16.389 1.00 43.44 H new ATOM 0 HG23 ILE A 545 15.643 -45.992 -15.098 1.00 43.44 H new ATOM 0 HD11 ILE A 545 17.373 -42.486 -16.363 1.00 30.11 H new ATOM 0 HD12 ILE A 545 16.046 -43.027 -17.419 1.00 30.11 H new ATOM 0 HD13 ILE A 545 16.015 -43.415 -15.682 1.00 30.11 H new ATOM 268 N GLY A 546 16.751 -48.389 -15.131 1.00 34.13 N ATOM 269 CA GLY A 546 16.905 -48.853 -13.771 1.00 2.13 C ATOM 270 C GLY A 546 16.185 -47.965 -12.791 1.00 3.41 C ATOM 271 O GLY A 546 15.290 -48.397 -12.072 1.00 41.51 O ATOM 0 H GLY A 546 15.977 -48.814 -15.642 1.00 34.13 H new ATOM 0 HA2 GLY A 546 16.522 -49.870 -13.689 1.00 2.13 H new ATOM 0 HA3 GLY A 546 17.964 -48.890 -13.517 1.00 2.13 H new ATOM 275 N VAL A 547 16.591 -46.707 -12.749 1.00 33.33 N ATOM 276 CA VAL A 547 15.999 -45.742 -11.837 1.00 52.14 C ATOM 277 C VAL A 547 16.026 -44.341 -12.460 1.00 71.21 C ATOM 278 O VAL A 547 17.071 -43.833 -12.872 1.00 14.41 O ATOM 279 CB VAL A 547 16.690 -45.808 -10.431 1.00 23.31 C ATOM 280 CG1 VAL A 547 18.196 -46.055 -10.553 1.00 44.22 C ATOM 281 CG2 VAL A 547 16.414 -44.564 -9.613 1.00 44.31 C ATOM 0 H VAL A 547 17.332 -46.329 -13.339 1.00 33.33 H new ATOM 0 HA VAL A 547 14.951 -45.993 -11.671 1.00 52.14 H new ATOM 0 HB VAL A 547 16.254 -46.657 -9.904 1.00 23.31 H new ATOM 0 HG11 VAL A 547 18.640 -46.094 -9.558 1.00 44.22 H new ATOM 0 HG12 VAL A 547 18.369 -47.001 -11.065 1.00 44.22 H new ATOM 0 HG13 VAL A 547 18.653 -45.245 -11.122 1.00 44.22 H new ATOM 0 HG21 VAL A 547 16.909 -44.647 -8.646 1.00 44.31 H new ATOM 0 HG22 VAL A 547 16.794 -43.690 -10.141 1.00 44.31 H new ATOM 0 HG23 VAL A 547 15.340 -44.458 -9.462 1.00 44.31 H new ATOM 291 N MET A 548 14.841 -43.759 -12.555 1.00 51.10 N ATOM 292 CA MET A 548 14.610 -42.452 -13.156 1.00 42.25 C ATOM 293 C MET A 548 14.936 -41.332 -12.175 1.00 64.04 C ATOM 294 O MET A 548 14.893 -41.541 -10.962 1.00 42.04 O ATOM 295 CB MET A 548 13.153 -42.346 -13.619 1.00 45.23 C ATOM 296 CG MET A 548 12.172 -41.919 -12.520 1.00 15.01 C ATOM 297 SD MET A 548 12.009 -40.130 -12.349 1.00 34.35 S ATOM 298 CE MET A 548 11.507 -39.668 -14.009 1.00 41.44 C ATOM 0 H MET A 548 13.987 -44.195 -12.206 1.00 51.10 H new ATOM 0 HA MET A 548 15.270 -42.346 -14.017 1.00 42.25 H new ATOM 0 HB2 MET A 548 13.096 -41.630 -14.439 1.00 45.23 H new ATOM 0 HB3 MET A 548 12.839 -43.311 -14.016 1.00 45.23 H new ATOM 0 HG2 MET A 548 11.192 -42.345 -12.734 1.00 15.01 H new ATOM 0 HG3 MET A 548 12.501 -42.338 -11.569 1.00 15.01 H new ATOM 0 HE1 MET A 548 10.730 -38.906 -13.955 1.00 41.44 H new ATOM 0 HE2 MET A 548 12.366 -39.273 -14.552 1.00 41.44 H new ATOM 0 HE3 MET A 548 11.120 -40.544 -14.529 1.00 41.44 H new ATOM 308 N GLU A 549 15.293 -40.165 -12.696 1.00 41.30 N ATOM 309 CA GLU A 549 15.529 -38.986 -11.862 1.00 30.23 C ATOM 310 C GLU A 549 14.876 -37.732 -12.412 1.00 52.41 C ATOM 311 O GLU A 549 14.898 -37.481 -13.616 1.00 52.31 O ATOM 312 CB GLU A 549 17.031 -38.702 -11.688 1.00 70.42 C ATOM 313 CG GLU A 549 17.433 -38.519 -10.264 1.00 0.32 C ATOM 314 CD GLU A 549 18.951 -38.410 -10.072 1.00 33.43 C ATOM 315 OE1 GLU A 549 19.683 -38.238 -11.065 1.00 44.11 O ATOM 316 OE2 GLU A 549 19.417 -38.521 -8.910 1.00 73.30 O ATOM 0 H GLU A 549 15.427 -40.006 -13.695 1.00 41.30 H new ATOM 0 HA GLU A 549 15.077 -39.227 -10.900 1.00 30.23 H new ATOM 0 HB2 GLU A 549 17.602 -39.525 -12.117 1.00 70.42 H new ATOM 0 HB3 GLU A 549 17.292 -37.806 -12.251 1.00 70.42 H new ATOM 0 HG2 GLU A 549 16.959 -37.619 -9.872 1.00 0.32 H new ATOM 0 HG3 GLU A 549 17.059 -39.358 -9.677 1.00 0.32 H new ATOM 323 N VAL A 550 14.375 -36.904 -11.505 1.00 12.41 N ATOM 324 CA VAL A 550 13.917 -35.556 -11.841 1.00 41.03 C ATOM 325 C VAL A 550 14.812 -34.661 -11.030 1.00 25.00 C ATOM 326 O VAL A 550 15.168 -35.009 -9.904 1.00 75.14 O ATOM 327 CB VAL A 550 12.404 -35.299 -11.478 1.00 52.31 C ATOM 328 CG1 VAL A 550 11.639 -36.568 -11.595 1.00 22.42 C ATOM 329 CG2 VAL A 550 12.220 -34.710 -10.070 1.00 34.44 C ATOM 0 H VAL A 550 14.273 -37.143 -10.519 1.00 12.41 H new ATOM 0 HA VAL A 550 13.972 -35.381 -12.915 1.00 41.03 H new ATOM 0 HB VAL A 550 12.025 -34.561 -12.185 1.00 52.31 H new ATOM 0 HG11 VAL A 550 10.594 -36.387 -11.344 1.00 22.42 H new ATOM 0 HG12 VAL A 550 11.707 -36.941 -12.617 1.00 22.42 H new ATOM 0 HG13 VAL A 550 12.054 -37.308 -10.910 1.00 22.42 H new ATOM 0 HG21 VAL A 550 11.159 -34.555 -9.876 1.00 34.44 H new ATOM 0 HG22 VAL A 550 12.626 -35.400 -9.331 1.00 34.44 H new ATOM 0 HG23 VAL A 550 12.744 -33.757 -10.003 1.00 34.44 H new ATOM 339 N LYS A 551 15.172 -33.515 -11.570 1.00 40.14 N ATOM 340 CA LYS A 551 15.937 -32.538 -10.802 1.00 71.44 C ATOM 341 C LYS A 551 14.950 -31.515 -10.285 1.00 12.53 C ATOM 342 O LYS A 551 14.053 -31.076 -11.006 1.00 3.44 O ATOM 343 CB LYS A 551 17.030 -31.873 -11.637 1.00 30.41 C ATOM 344 CG LYS A 551 17.948 -32.867 -12.346 1.00 20.15 C ATOM 345 CD LYS A 551 19.111 -32.159 -13.027 1.00 12.20 C ATOM 346 CE LYS A 551 19.638 -32.971 -14.211 1.00 1.12 C ATOM 347 NZ LYS A 551 18.659 -32.944 -15.357 1.00 62.51 N ATOM 0 H LYS A 551 14.953 -33.234 -12.526 1.00 40.14 H new ATOM 0 HA LYS A 551 16.455 -33.034 -9.981 1.00 71.44 H new ATOM 0 HB2 LYS A 551 16.564 -31.227 -12.381 1.00 30.41 H new ATOM 0 HB3 LYS A 551 17.631 -31.233 -10.991 1.00 30.41 H new ATOM 0 HG2 LYS A 551 18.331 -33.589 -11.625 1.00 20.15 H new ATOM 0 HG3 LYS A 551 17.377 -33.428 -13.086 1.00 20.15 H new ATOM 0 HD2 LYS A 551 18.790 -31.176 -13.371 1.00 12.20 H new ATOM 0 HD3 LYS A 551 19.914 -31.998 -12.307 1.00 12.20 H new ATOM 0 HE2 LYS A 551 20.597 -32.567 -14.536 1.00 1.12 H new ATOM 0 HE3 LYS A 551 19.814 -34.001 -13.902 1.00 1.12 H new ATOM 0 HZ1 LYS A 551 18.761 -33.812 -15.921 1.00 62.51 H new ATOM 0 HZ2 LYS A 551 17.690 -32.885 -14.984 1.00 62.51 H new ATOM 0 HZ3 LYS A 551 18.850 -32.117 -15.957 1.00 62.51 H new ATOM 361 N VAL A 552 15.099 -31.173 -9.020 1.00 15.40 N ATOM 362 CA VAL A 552 14.224 -30.216 -8.358 1.00 31.23 C ATOM 363 C VAL A 552 14.951 -28.880 -8.212 1.00 34.30 C ATOM 364 O VAL A 552 16.026 -28.813 -7.611 1.00 31.45 O ATOM 365 CB VAL A 552 13.815 -30.699 -6.942 1.00 71.43 C ATOM 366 CG1 VAL A 552 12.574 -29.924 -6.474 1.00 13.15 C ATOM 367 CG2 VAL A 552 13.526 -32.232 -6.922 1.00 32.14 C ATOM 0 H VAL A 552 15.831 -31.550 -8.418 1.00 15.40 H new ATOM 0 HA VAL A 552 13.327 -30.112 -8.969 1.00 31.23 H new ATOM 0 HB VAL A 552 14.646 -30.509 -6.263 1.00 71.43 H new ATOM 0 HG11 VAL A 552 12.287 -30.264 -5.479 1.00 13.15 H new ATOM 0 HG12 VAL A 552 12.801 -28.858 -6.442 1.00 13.15 H new ATOM 0 HG13 VAL A 552 11.752 -30.099 -7.168 1.00 13.15 H new ATOM 0 HG21 VAL A 552 13.242 -32.536 -5.914 1.00 32.14 H new ATOM 0 HG22 VAL A 552 12.713 -32.458 -7.612 1.00 32.14 H new ATOM 0 HG23 VAL A 552 14.421 -32.775 -7.226 1.00 32.14 H new ATOM 377 N LEU A 553 14.376 -27.836 -8.791 1.00 63.44 N ATOM 378 CA LEU A 553 14.940 -26.496 -8.780 1.00 64.34 C ATOM 379 C LEU A 553 14.152 -25.643 -7.805 1.00 13.42 C ATOM 380 O LEU A 553 13.029 -25.992 -7.424 1.00 62.23 O ATOM 381 CB LEU A 553 14.847 -25.863 -10.168 1.00 30.45 C ATOM 382 CG LEU A 553 15.303 -26.673 -11.392 1.00 4.51 C ATOM 383 CD1 LEU A 553 16.627 -27.442 -11.192 1.00 11.54 C ATOM 384 CD2 LEU A 553 14.222 -27.591 -11.861 1.00 41.24 C ATOM 0 H LEU A 553 13.489 -27.899 -9.290 1.00 63.44 H new ATOM 0 HA LEU A 553 15.988 -26.556 -8.485 1.00 64.34 H new ATOM 0 HB2 LEU A 553 13.807 -25.580 -10.331 1.00 30.45 H new ATOM 0 HB3 LEU A 553 15.429 -24.942 -10.148 1.00 30.45 H new ATOM 0 HG LEU A 553 15.509 -25.933 -12.165 1.00 4.51 H new ATOM 0 HD11 LEU A 553 16.873 -27.985 -12.104 1.00 11.54 H new ATOM 0 HD12 LEU A 553 17.426 -26.737 -10.962 1.00 11.54 H new ATOM 0 HD13 LEU A 553 16.517 -28.147 -10.368 1.00 11.54 H new ATOM 0 HD21 LEU A 553 14.572 -28.152 -12.728 1.00 41.24 H new ATOM 0 HD22 LEU A 553 13.961 -28.284 -11.061 1.00 41.24 H new ATOM 0 HD23 LEU A 553 13.343 -27.008 -12.136 1.00 41.24 H new ATOM 396 N ARG A 554 14.738 -24.530 -7.386 1.00 13.53 N ATOM 397 CA ARG A 554 14.120 -23.659 -6.406 1.00 31.53 C ATOM 398 C ARG A 554 14.349 -22.185 -6.802 1.00 51.34 C ATOM 399 O ARG A 554 15.368 -21.868 -7.415 1.00 41.44 O ATOM 400 CB ARG A 554 14.706 -24.051 -5.027 1.00 43.13 C ATOM 401 CG ARG A 554 14.632 -23.013 -3.923 1.00 54.52 C ATOM 402 CD ARG A 554 15.975 -22.313 -3.716 1.00 62.54 C ATOM 403 NE ARG A 554 16.687 -22.020 -4.981 1.00 34.33 N ATOM 404 CZ ARG A 554 17.698 -21.175 -5.155 1.00 35.11 C ATOM 405 NH1 ARG A 554 18.223 -20.479 -4.184 1.00 13.12 N ATOM 406 NH2 ARG A 554 18.186 -21.030 -6.353 1.00 44.31 N ATOM 0 H ARG A 554 15.649 -24.210 -7.715 1.00 13.53 H new ATOM 0 HA ARG A 554 13.037 -23.774 -6.358 1.00 31.53 H new ATOM 0 HB2 ARG A 554 14.190 -24.948 -4.683 1.00 43.13 H new ATOM 0 HB3 ARG A 554 15.753 -24.320 -5.169 1.00 43.13 H new ATOM 0 HG2 ARG A 554 13.870 -22.273 -4.169 1.00 54.52 H new ATOM 0 HG3 ARG A 554 14.324 -23.491 -2.993 1.00 54.52 H new ATOM 0 HD2 ARG A 554 15.811 -21.381 -3.176 1.00 62.54 H new ATOM 0 HD3 ARG A 554 16.609 -22.938 -3.087 1.00 62.54 H new ATOM 0 HE ARG A 554 16.366 -22.522 -5.809 1.00 34.33 H new ATOM 0 HH11 ARG A 554 17.858 -20.570 -3.236 1.00 13.12 H new ATOM 0 HH12 ARG A 554 18.999 -19.844 -4.373 1.00 13.12 H new ATOM 0 HH21 ARG A 554 17.792 -21.559 -7.131 1.00 44.31 H new ATOM 0 HH22 ARG A 554 18.962 -20.388 -6.513 1.00 44.31 H new ATOM 420 N THR A 555 13.420 -21.306 -6.444 1.00 73.20 N ATOM 421 CA THR A 555 13.549 -19.843 -6.689 1.00 31.34 C ATOM 422 C THR A 555 14.461 -19.162 -5.662 1.00 41.32 C ATOM 423 O THR A 555 14.875 -19.785 -4.712 1.00 73.45 O ATOM 424 CB THR A 555 12.161 -19.133 -6.683 1.00 60.40 C ATOM 425 OG1 THR A 555 12.265 -17.885 -7.373 1.00 52.15 O ATOM 426 CG2 THR A 555 11.669 -18.843 -5.259 1.00 24.11 C ATOM 0 H THR A 555 12.553 -21.569 -5.976 1.00 73.20 H new ATOM 0 HA THR A 555 13.999 -19.745 -7.677 1.00 31.34 H new ATOM 0 HB THR A 555 11.452 -19.802 -7.170 1.00 60.40 H new ATOM 0 HG1 THR A 555 11.393 -17.437 -7.372 1.00 52.15 H new ATOM 0 HG21 THR A 555 10.699 -18.348 -5.303 1.00 24.11 H new ATOM 0 HG22 THR A 555 11.574 -19.779 -4.709 1.00 24.11 H new ATOM 0 HG23 THR A 555 12.384 -18.195 -4.752 1.00 24.11 H new ATOM 434 N SER A 556 14.745 -17.874 -5.819 1.00 3.41 N ATOM 435 CA SER A 556 15.640 -17.124 -4.908 1.00 33.52 C ATOM 436 C SER A 556 15.088 -16.870 -3.479 1.00 55.41 C ATOM 437 O SER A 556 15.435 -15.892 -2.827 1.00 22.53 O ATOM 438 CB SER A 556 15.981 -15.794 -5.570 1.00 44.10 C ATOM 439 OG SER A 556 14.799 -15.115 -5.957 1.00 71.11 O ATOM 0 H SER A 556 14.367 -17.308 -6.579 1.00 3.41 H new ATOM 0 HA SER A 556 16.516 -17.754 -4.754 1.00 33.52 H new ATOM 0 HB2 SER A 556 16.554 -15.174 -4.881 1.00 44.10 H new ATOM 0 HB3 SER A 556 16.611 -15.966 -6.443 1.00 44.10 H new ATOM 0 HG SER A 556 15.035 -14.262 -6.379 1.00 71.11 H new ATOM 445 N GLY A 557 14.279 -17.798 -2.993 1.00 43.42 N ATOM 446 CA GLY A 557 13.716 -17.755 -1.652 1.00 10.23 C ATOM 447 C GLY A 557 14.516 -18.571 -0.644 1.00 21.14 C ATOM 448 O GLY A 557 14.049 -18.888 0.433 1.00 1.32 O ATOM 0 H GLY A 557 13.990 -18.617 -3.528 1.00 43.42 H new ATOM 0 HA2 GLY A 557 13.669 -16.719 -1.317 1.00 10.23 H new ATOM 0 HA3 GLY A 557 12.692 -18.127 -1.682 1.00 10.23 H new ATOM 452 N ALA A 558 15.701 -19.018 -1.019 1.00 54.11 N ATOM 453 CA ALA A 558 16.453 -19.955 -0.163 1.00 74.35 C ATOM 454 C ALA A 558 17.068 -19.317 1.068 1.00 23.34 C ATOM 455 O ALA A 558 18.212 -18.854 1.058 1.00 24.20 O ATOM 456 CB ALA A 558 17.501 -20.661 -0.936 1.00 41.21 C ATOM 0 H ALA A 558 16.167 -18.762 -1.890 1.00 54.11 H new ATOM 0 HA ALA A 558 15.710 -20.668 0.195 1.00 74.35 H new ATOM 0 HB1 ALA A 558 18.039 -21.345 -0.279 1.00 41.21 H new ATOM 0 HB2 ALA A 558 17.038 -21.225 -1.746 1.00 41.21 H new ATOM 0 HB3 ALA A 558 18.198 -19.934 -1.352 1.00 41.21 H new ATOM 462 N ARG A 559 16.305 -19.339 2.143 1.00 61.23 N ATOM 463 CA ARG A 559 16.733 -18.797 3.414 1.00 24.14 C ATOM 464 C ARG A 559 16.568 -19.903 4.433 1.00 21.23 C ATOM 465 O ARG A 559 15.463 -20.332 4.709 1.00 1.15 O ATOM 466 CB ARG A 559 15.870 -17.577 3.751 1.00 22.54 C ATOM 467 CG ARG A 559 15.865 -16.493 2.643 1.00 10.32 C ATOM 468 CD ARG A 559 17.258 -15.914 2.362 1.00 73.05 C ATOM 469 NE ARG A 559 17.888 -15.368 3.577 1.00 32.22 N ATOM 470 CZ ARG A 559 19.085 -15.704 4.043 1.00 43.01 C ATOM 471 NH1 ARG A 559 19.859 -16.578 3.443 1.00 73.43 N ATOM 472 NH2 ARG A 559 19.511 -15.145 5.141 1.00 60.05 N ATOM 0 H ARG A 559 15.366 -19.736 2.158 1.00 61.23 H new ATOM 0 HA ARG A 559 17.771 -18.465 3.398 1.00 24.14 H new ATOM 0 HB2 ARG A 559 14.846 -17.905 3.930 1.00 22.54 H new ATOM 0 HB3 ARG A 559 16.230 -17.134 4.679 1.00 22.54 H new ATOM 0 HG2 ARG A 559 15.464 -16.922 1.725 1.00 10.32 H new ATOM 0 HG3 ARG A 559 15.195 -15.685 2.936 1.00 10.32 H new ATOM 0 HD2 ARG A 559 17.895 -16.692 1.942 1.00 73.05 H new ATOM 0 HD3 ARG A 559 17.178 -15.128 1.611 1.00 73.05 H new ATOM 0 HE ARG A 559 17.360 -14.673 4.105 1.00 32.22 H new ATOM 0 HH11 ARG A 559 19.548 -17.029 2.583 1.00 73.43 H new ATOM 0 HH12 ARG A 559 20.772 -16.806 3.837 1.00 73.43 H new ATOM 0 HH21 ARG A 559 18.928 -14.463 5.626 1.00 60.05 H new ATOM 0 HH22 ARG A 559 20.428 -15.390 5.515 1.00 60.05 H new ATOM 486 N GLY A 560 17.676 -20.410 4.939 1.00 72.11 N ATOM 487 CA GLY A 560 17.624 -21.512 5.882 1.00 31.35 C ATOM 488 C GLY A 560 17.462 -22.862 5.218 1.00 73.23 C ATOM 489 O GLY A 560 17.852 -23.063 4.059 1.00 71.05 O ATOM 0 H GLY A 560 18.615 -20.081 4.716 1.00 72.11 H new ATOM 0 HA2 GLY A 560 18.537 -21.515 6.477 1.00 31.35 H new ATOM 0 HA3 GLY A 560 16.795 -21.352 6.571 1.00 31.35 H new ATOM 493 N THR A 561 16.890 -23.784 5.969 1.00 72.33 N ATOM 494 CA THR A 561 16.704 -25.161 5.557 1.00 72.44 C ATOM 495 C THR A 561 15.224 -25.434 5.436 1.00 52.54 C ATOM 496 O THR A 561 14.425 -25.082 6.283 1.00 23.33 O ATOM 497 CB THR A 561 17.317 -26.141 6.582 1.00 15.25 C ATOM 498 OG1 THR A 561 18.716 -25.873 6.708 1.00 33.22 O ATOM 499 CG2 THR A 561 17.131 -27.568 6.182 1.00 42.31 C ATOM 0 H THR A 561 16.533 -23.591 6.905 1.00 72.33 H new ATOM 0 HA THR A 561 17.206 -25.310 4.601 1.00 72.44 H new ATOM 0 HB THR A 561 16.803 -25.991 7.531 1.00 15.25 H new ATOM 0 HG1 THR A 561 18.849 -25.096 7.290 1.00 33.22 H new ATOM 0 HG21 THR A 561 17.579 -28.218 6.934 1.00 42.31 H new ATOM 0 HG22 THR A 561 16.066 -27.787 6.100 1.00 42.31 H new ATOM 0 HG23 THR A 561 17.612 -27.742 5.219 1.00 42.31 H new ATOM 507 N VAL A 562 14.883 -26.053 4.335 1.00 45.11 N ATOM 508 CA VAL A 562 13.522 -26.416 3.970 1.00 62.04 C ATOM 509 C VAL A 562 13.561 -27.914 3.660 1.00 22.34 C ATOM 510 O VAL A 562 14.535 -28.394 3.108 1.00 45.34 O ATOM 511 CB VAL A 562 13.077 -25.612 2.707 1.00 60.25 C ATOM 512 CG1 VAL A 562 11.672 -25.998 2.261 1.00 3.44 C ATOM 513 CG2 VAL A 562 13.123 -24.099 2.966 1.00 51.01 C ATOM 0 H VAL A 562 15.569 -26.333 3.634 1.00 45.11 H new ATOM 0 HA VAL A 562 12.813 -26.191 4.767 1.00 62.04 H new ATOM 0 HB VAL A 562 13.781 -25.864 1.914 1.00 60.25 H new ATOM 0 HG11 VAL A 562 11.398 -25.418 1.380 1.00 3.44 H new ATOM 0 HG12 VAL A 562 11.646 -27.060 2.018 1.00 3.44 H new ATOM 0 HG13 VAL A 562 10.966 -25.792 3.065 1.00 3.44 H new ATOM 0 HG21 VAL A 562 12.808 -23.567 2.069 1.00 51.01 H new ATOM 0 HG22 VAL A 562 12.454 -23.850 3.789 1.00 51.01 H new ATOM 0 HG23 VAL A 562 14.140 -23.805 3.224 1.00 51.01 H new ATOM 523 N ILE A 563 12.519 -28.650 4.008 1.00 51.42 N ATOM 524 CA ILE A 563 12.434 -30.069 3.691 1.00 2.22 C ATOM 525 C ILE A 563 11.251 -30.237 2.725 1.00 4.21 C ATOM 526 O ILE A 563 10.238 -29.537 2.867 1.00 22.53 O ATOM 527 CB ILE A 563 12.293 -30.931 4.987 1.00 74.53 C ATOM 528 CG1 ILE A 563 13.066 -32.240 4.824 1.00 11.35 C ATOM 529 CG2 ILE A 563 10.821 -31.236 5.336 1.00 42.03 C ATOM 530 CD1 ILE A 563 13.488 -32.866 6.135 1.00 73.11 C ATOM 0 H ILE A 563 11.712 -28.286 4.515 1.00 51.42 H new ATOM 0 HA ILE A 563 13.347 -30.426 3.215 1.00 2.22 H new ATOM 0 HB ILE A 563 12.708 -30.349 5.810 1.00 74.53 H new ATOM 0 HG12 ILE A 563 12.448 -32.950 4.275 1.00 11.35 H new ATOM 0 HG13 ILE A 563 13.953 -32.055 4.218 1.00 11.35 H new ATOM 0 HG21 ILE A 563 10.779 -31.837 6.244 1.00 42.03 H new ATOM 0 HG22 ILE A 563 10.283 -30.301 5.495 1.00 42.03 H new ATOM 0 HG23 ILE A 563 10.359 -31.785 4.516 1.00 42.03 H new ATOM 0 HD11 ILE A 563 14.031 -33.791 5.939 1.00 73.11 H new ATOM 0 HD12 ILE A 563 14.133 -32.175 6.677 1.00 73.11 H new ATOM 0 HD13 ILE A 563 12.605 -33.084 6.735 1.00 73.11 H new ATOM 542 N VAL A 564 11.376 -31.092 1.716 1.00 54.31 N ATOM 543 CA VAL A 564 10.288 -31.281 0.739 1.00 33.12 C ATOM 544 C VAL A 564 10.021 -32.759 0.393 1.00 51.01 C ATOM 545 O VAL A 564 10.862 -33.414 -0.215 1.00 44.02 O ATOM 546 CB VAL A 564 10.571 -30.548 -0.610 1.00 22.04 C ATOM 547 CG1 VAL A 564 9.288 -30.529 -1.478 1.00 11.41 C ATOM 548 CG2 VAL A 564 11.059 -29.112 -0.367 1.00 42.23 C ATOM 0 H VAL A 564 12.204 -31.662 1.546 1.00 54.31 H new ATOM 0 HA VAL A 564 9.415 -30.858 1.237 1.00 33.12 H new ATOM 0 HB VAL A 564 11.357 -31.091 -1.135 1.00 22.04 H new ATOM 0 HG11 VAL A 564 9.492 -30.016 -2.418 1.00 11.41 H new ATOM 0 HG12 VAL A 564 8.973 -31.552 -1.684 1.00 11.41 H new ATOM 0 HG13 VAL A 564 8.495 -30.006 -0.944 1.00 11.41 H new ATOM 0 HG21 VAL A 564 11.248 -28.625 -1.324 1.00 42.23 H new ATOM 0 HG22 VAL A 564 10.296 -28.556 0.178 1.00 42.23 H new ATOM 0 HG23 VAL A 564 11.979 -29.134 0.217 1.00 42.23 H new ATOM 558 N PRO A 565 8.840 -33.292 0.754 1.00 63.22 N ATOM 559 CA PRO A 565 8.481 -34.651 0.332 1.00 41.41 C ATOM 560 C PRO A 565 8.071 -34.806 -1.110 1.00 15.44 C ATOM 561 O PRO A 565 7.555 -33.877 -1.726 1.00 4.31 O ATOM 562 CB PRO A 565 7.273 -34.979 1.221 1.00 54.22 C ATOM 563 CG PRO A 565 6.670 -33.679 1.513 1.00 51.13 C ATOM 564 CD PRO A 565 7.772 -32.679 1.560 1.00 61.42 C ATOM 0 HA PRO A 565 9.350 -35.302 0.428 1.00 41.41 H new ATOM 0 HB2 PRO A 565 6.570 -35.637 0.709 1.00 54.22 H new ATOM 0 HB3 PRO A 565 7.579 -35.489 2.134 1.00 54.22 H new ATOM 0 HG2 PRO A 565 5.942 -33.413 0.747 1.00 51.13 H new ATOM 0 HG3 PRO A 565 6.137 -33.708 2.463 1.00 51.13 H new ATOM 0 HD2 PRO A 565 7.459 -31.720 1.146 1.00 61.42 H new ATOM 0 HD3 PRO A 565 8.100 -32.493 2.583 1.00 61.42 H new ATOM 572 N PHE A 566 8.226 -36.024 -1.605 1.00 73.24 N ATOM 573 CA PHE A 566 7.764 -36.412 -2.918 1.00 64.02 C ATOM 574 C PHE A 566 7.174 -37.800 -2.801 1.00 43.22 C ATOM 575 O PHE A 566 7.405 -38.471 -1.799 1.00 63.23 O ATOM 576 CB PHE A 566 8.945 -36.447 -3.861 1.00 54.43 C ATOM 577 CG PHE A 566 10.003 -37.455 -3.479 1.00 35.41 C ATOM 578 CD1 PHE A 566 11.064 -37.089 -2.632 1.00 5.33 C ATOM 579 CD2 PHE A 566 9.959 -38.772 -3.978 1.00 64.45 C ATOM 580 CE1 PHE A 566 12.069 -38.021 -2.277 1.00 63.21 C ATOM 581 CE2 PHE A 566 10.960 -39.715 -3.628 1.00 2.03 C ATOM 582 CZ PHE A 566 12.017 -39.334 -2.782 1.00 20.44 C ATOM 0 H PHE A 566 8.684 -36.778 -1.094 1.00 73.24 H new ATOM 0 HA PHE A 566 7.021 -35.710 -3.296 1.00 64.02 H new ATOM 0 HB2 PHE A 566 8.588 -36.672 -4.866 1.00 54.43 H new ATOM 0 HB3 PHE A 566 9.398 -35.456 -3.898 1.00 54.43 H new ATOM 0 HD1 PHE A 566 11.113 -36.081 -2.246 1.00 5.33 H new ATOM 0 HD2 PHE A 566 9.154 -39.067 -4.635 1.00 64.45 H new ATOM 0 HE1 PHE A 566 12.874 -37.725 -1.620 1.00 63.21 H new ATOM 0 HE2 PHE A 566 10.910 -40.724 -4.011 1.00 2.03 H new ATOM 0 HZ PHE A 566 12.786 -40.046 -2.521 1.00 20.44 H new ATOM 592 N ARG A 567 6.435 -38.223 -3.819 1.00 63.11 N ATOM 593 CA ARG A 567 5.862 -39.569 -3.880 1.00 2.21 C ATOM 594 C ARG A 567 5.557 -39.883 -5.333 1.00 34.13 C ATOM 595 O ARG A 567 5.384 -38.960 -6.129 1.00 12.12 O ATOM 596 CB ARG A 567 4.592 -39.640 -3.023 1.00 2.12 C ATOM 597 CG ARG A 567 3.523 -38.606 -3.391 1.00 63.13 C ATOM 598 CD ARG A 567 2.624 -39.063 -4.530 1.00 2.04 C ATOM 599 NE ARG A 567 2.018 -40.393 -4.342 1.00 0.01 N ATOM 600 CZ ARG A 567 0.833 -40.662 -3.820 1.00 72.41 C ATOM 601 NH1 ARG A 567 0.041 -39.733 -3.344 1.00 55.42 N ATOM 602 NH2 ARG A 567 0.442 -41.905 -3.789 1.00 12.32 N ATOM 0 H ARG A 567 6.214 -37.644 -4.629 1.00 63.11 H new ATOM 0 HA ARG A 567 6.565 -40.303 -3.486 1.00 2.21 H new ATOM 0 HB2 ARG A 567 4.162 -40.638 -3.114 1.00 2.12 H new ATOM 0 HB3 ARG A 567 4.866 -39.505 -1.977 1.00 2.12 H new ATOM 0 HG2 ARG A 567 2.911 -38.396 -2.514 1.00 63.13 H new ATOM 0 HG3 ARG A 567 4.010 -37.672 -3.671 1.00 63.13 H new ATOM 0 HD2 ARG A 567 1.827 -38.331 -4.661 1.00 2.04 H new ATOM 0 HD3 ARG A 567 3.205 -39.071 -5.452 1.00 2.04 H new ATOM 0 HE ARG A 567 2.573 -41.193 -4.648 1.00 0.01 H new ATOM 0 HH11 ARG A 567 0.330 -38.755 -3.367 1.00 55.42 H new ATOM 0 HH12 ARG A 567 -0.865 -39.988 -2.951 1.00 55.42 H new ATOM 0 HH21 ARG A 567 1.045 -42.639 -4.161 1.00 12.32 H new ATOM 0 HH22 ARG A 567 -0.467 -42.144 -3.393 1.00 12.32 H new ATOM 616 N THR A 568 5.450 -41.153 -5.677 1.00 2.13 N ATOM 617 CA THR A 568 5.153 -41.559 -7.051 1.00 32.24 C ATOM 618 C THR A 568 3.631 -41.670 -7.208 1.00 31.03 C ATOM 619 O THR A 568 2.941 -42.087 -6.285 1.00 74.12 O ATOM 620 CB THR A 568 5.879 -42.876 -7.337 1.00 32.23 C ATOM 621 OG1 THR A 568 7.240 -42.728 -6.933 1.00 4.41 O ATOM 622 CG2 THR A 568 5.908 -43.222 -8.770 1.00 13.11 C ATOM 0 H THR A 568 5.564 -41.929 -5.025 1.00 2.13 H new ATOM 0 HA THR A 568 5.505 -40.827 -7.777 1.00 32.24 H new ATOM 0 HB THR A 568 5.344 -43.658 -6.799 1.00 32.23 H new ATOM 0 HG1 THR A 568 7.811 -43.295 -7.493 1.00 4.41 H new ATOM 0 HG21 THR A 568 6.436 -44.166 -8.906 1.00 13.11 H new ATOM 0 HG22 THR A 568 4.888 -43.321 -9.141 1.00 13.11 H new ATOM 0 HG23 THR A 568 6.421 -42.436 -9.324 1.00 13.11 H new ATOM 630 N VAL A 569 3.111 -41.203 -8.335 1.00 70.24 N ATOM 631 CA VAL A 569 1.688 -41.103 -8.604 1.00 2.41 C ATOM 632 C VAL A 569 1.537 -41.777 -9.921 1.00 31.24 C ATOM 633 O VAL A 569 2.098 -41.366 -10.921 1.00 73.04 O ATOM 634 CB VAL A 569 1.178 -39.643 -8.808 1.00 3.14 C ATOM 635 CG1 VAL A 569 -0.342 -39.634 -9.074 1.00 43.01 C ATOM 636 CG2 VAL A 569 1.478 -38.777 -7.622 1.00 45.21 C ATOM 0 H VAL A 569 3.688 -40.874 -9.109 1.00 70.24 H new ATOM 0 HA VAL A 569 1.131 -41.521 -7.765 1.00 2.41 H new ATOM 0 HB VAL A 569 1.705 -39.237 -9.671 1.00 3.14 H new ATOM 0 HG11 VAL A 569 -0.681 -38.607 -9.214 1.00 43.01 H new ATOM 0 HG12 VAL A 569 -0.558 -40.213 -9.972 1.00 43.01 H new ATOM 0 HG13 VAL A 569 -0.863 -40.075 -8.224 1.00 43.01 H new ATOM 0 HG21 VAL A 569 1.107 -37.769 -7.805 1.00 45.21 H new ATOM 0 HG22 VAL A 569 0.991 -39.189 -6.738 1.00 45.21 H new ATOM 0 HG23 VAL A 569 2.555 -38.743 -7.460 1.00 45.21 H new ATOM 646 N GLU A 570 0.800 -42.842 -9.904 1.00 64.24 N ATOM 647 CA GLU A 570 0.567 -43.614 -11.086 1.00 55.24 C ATOM 648 C GLU A 570 -0.571 -43.005 -11.905 1.00 51.24 C ATOM 649 O GLU A 570 -1.520 -42.453 -11.357 1.00 31.21 O ATOM 650 CB GLU A 570 0.322 -45.064 -10.689 1.00 4.34 C ATOM 651 CG GLU A 570 -0.064 -45.336 -9.199 1.00 43.11 C ATOM 652 CD GLU A 570 -1.293 -44.574 -8.691 1.00 40.15 C ATOM 653 OE1 GLU A 570 -2.435 -44.980 -8.974 1.00 33.43 O ATOM 654 OE2 GLU A 570 -1.085 -43.598 -7.920 1.00 61.42 O ATOM 0 H GLU A 570 0.341 -43.203 -9.068 1.00 64.24 H new ATOM 0 HA GLU A 570 1.442 -43.597 -11.735 1.00 55.24 H new ATOM 0 HB2 GLU A 570 -0.472 -45.459 -11.322 1.00 4.34 H new ATOM 0 HB3 GLU A 570 1.223 -45.634 -10.915 1.00 4.34 H new ATOM 0 HG2 GLU A 570 -0.243 -46.404 -9.077 1.00 43.11 H new ATOM 0 HG3 GLU A 570 0.787 -45.081 -8.568 1.00 43.11 H new ATOM 661 N GLY A 571 -0.426 -43.046 -13.224 1.00 73.35 N ATOM 662 CA GLY A 571 -1.442 -42.512 -14.122 1.00 60.30 C ATOM 663 C GLY A 571 -2.165 -43.685 -14.737 1.00 13.34 C ATOM 664 O GLY A 571 -3.215 -44.095 -14.254 1.00 14.51 O ATOM 0 H GLY A 571 0.386 -43.444 -13.696 1.00 73.35 H new ATOM 0 HA2 GLY A 571 -2.139 -41.875 -13.577 1.00 60.30 H new ATOM 0 HA3 GLY A 571 -0.984 -41.895 -14.895 1.00 60.30 H new ATOM 668 N THR A 572 -1.548 -44.307 -15.728 1.00 4.25 N ATOM 669 CA THR A 572 -1.976 -45.637 -16.149 1.00 50.23 C ATOM 670 C THR A 572 -0.791 -46.561 -15.885 1.00 71.04 C ATOM 671 O THR A 572 0.239 -46.500 -16.570 1.00 5.44 O ATOM 672 CB THR A 572 -2.445 -45.692 -17.638 1.00 13.32 C ATOM 673 OG1 THR A 572 -1.907 -46.851 -18.273 1.00 35.21 O ATOM 674 CG2 THR A 572 -1.998 -44.479 -18.431 1.00 13.03 C ATOM 0 H THR A 572 -0.761 -43.923 -16.251 1.00 4.25 H new ATOM 0 HA THR A 572 -2.857 -45.947 -15.586 1.00 50.23 H new ATOM 0 HB THR A 572 -3.535 -45.718 -17.622 1.00 13.32 H new ATOM 0 HG1 THR A 572 -2.206 -46.881 -19.206 1.00 35.21 H new ATOM 0 HG21 THR A 572 -2.350 -44.567 -19.459 1.00 13.03 H new ATOM 0 HG22 THR A 572 -2.413 -43.577 -17.981 1.00 13.03 H new ATOM 0 HG23 THR A 572 -0.910 -44.420 -18.424 1.00 13.03 H new ATOM 682 N ALA A 573 -0.981 -47.421 -14.894 1.00 2.42 N ATOM 683 CA ALA A 573 -0.002 -48.397 -14.415 1.00 52.22 C ATOM 684 C ALA A 573 -0.790 -49.046 -13.271 1.00 53.11 C ATOM 685 O ALA A 573 -1.950 -48.677 -13.064 1.00 44.12 O ATOM 686 CB ALA A 573 1.287 -47.706 -13.881 1.00 60.23 C ATOM 0 H ALA A 573 -1.859 -47.462 -14.377 1.00 2.42 H new ATOM 0 HA ALA A 573 0.355 -49.087 -15.180 1.00 52.22 H new ATOM 0 HB1 ALA A 573 1.989 -48.464 -13.534 1.00 60.23 H new ATOM 0 HB2 ALA A 573 1.746 -47.124 -14.681 1.00 60.23 H new ATOM 0 HB3 ALA A 573 1.029 -47.045 -13.054 1.00 60.23 H new ATOM 692 N LYS A 574 -0.187 -49.950 -12.515 1.00 5.51 N ATOM 693 CA LYS A 574 -0.814 -50.545 -11.356 1.00 23.33 C ATOM 694 C LYS A 574 -0.066 -50.007 -10.113 1.00 71.34 C ATOM 695 O LYS A 574 -0.679 -49.742 -9.079 1.00 52.54 O ATOM 696 CB LYS A 574 -0.757 -52.060 -11.548 1.00 73.01 C ATOM 697 CG LYS A 574 -0.423 -52.829 -10.356 1.00 62.42 C ATOM 698 CD LYS A 574 -1.567 -52.853 -9.337 1.00 40.32 C ATOM 699 CE LYS A 574 -1.239 -53.717 -8.146 1.00 62.21 C ATOM 700 NZ LYS A 574 0.059 -53.340 -7.497 1.00 21.13 N ATOM 0 H LYS A 574 0.758 -50.291 -12.694 1.00 5.51 H new ATOM 0 HA LYS A 574 -1.865 -50.289 -11.220 1.00 23.33 H new ATOM 0 HB2 LYS A 574 -1.724 -52.399 -11.919 1.00 73.01 H new ATOM 0 HB3 LYS A 574 -0.023 -52.284 -12.322 1.00 73.01 H new ATOM 0 HG2 LYS A 574 -0.175 -53.851 -10.644 1.00 62.42 H new ATOM 0 HG3 LYS A 574 0.466 -52.404 -9.890 1.00 62.42 H new ATOM 0 HD2 LYS A 574 -1.777 -51.837 -9.002 1.00 40.32 H new ATOM 0 HD3 LYS A 574 -2.473 -53.224 -9.816 1.00 40.32 H new ATOM 0 HE2 LYS A 574 -2.043 -53.639 -7.414 1.00 62.21 H new ATOM 0 HE3 LYS A 574 -1.194 -54.760 -8.460 1.00 62.21 H new ATOM 0 HZ1 LYS A 574 0.743 -54.115 -7.612 1.00 21.13 H new ATOM 0 HZ2 LYS A 574 0.433 -52.479 -7.944 1.00 21.13 H new ATOM 0 HZ3 LYS A 574 -0.098 -53.164 -6.484 1.00 21.13 H new ATOM 714 N GLY A 575 1.232 -49.772 -10.242 1.00 63.41 N ATOM 715 CA GLY A 575 2.003 -49.156 -9.171 1.00 71.31 C ATOM 716 C GLY A 575 2.330 -50.044 -7.993 1.00 1.13 C ATOM 717 O GLY A 575 1.882 -51.182 -7.888 1.00 52.24 O ATOM 0 H GLY A 575 1.773 -49.998 -11.077 1.00 63.41 H new ATOM 0 HA2 GLY A 575 2.938 -48.785 -9.591 1.00 71.31 H new ATOM 0 HA3 GLY A 575 1.451 -48.290 -8.805 1.00 71.31 H new ATOM 721 N GLY A 576 3.111 -49.500 -7.072 1.00 22.41 N ATOM 722 CA GLY A 576 3.503 -50.228 -5.879 1.00 25.44 C ATOM 723 C GLY A 576 4.899 -50.781 -6.028 1.00 63.12 C ATOM 724 O GLY A 576 5.852 -50.083 -5.746 1.00 5.14 O ATOM 0 H GLY A 576 3.486 -48.553 -7.130 1.00 22.41 H new ATOM 0 HA2 GLY A 576 3.458 -49.568 -5.013 1.00 25.44 H new ATOM 0 HA3 GLY A 576 2.801 -51.042 -5.696 1.00 25.44 H new ATOM 728 N GLY A 577 5.007 -52.042 -6.424 1.00 12.25 N ATOM 729 CA GLY A 577 6.286 -52.660 -6.748 1.00 34.41 C ATOM 730 C GLY A 577 6.261 -53.210 -8.162 1.00 24.24 C ATOM 731 O GLY A 577 7.042 -54.087 -8.483 1.00 64.20 O ATOM 0 H GLY A 577 4.208 -52.667 -6.530 1.00 12.25 H new ATOM 0 HA2 GLY A 577 7.087 -51.927 -6.649 1.00 34.41 H new ATOM 0 HA3 GLY A 577 6.499 -53.463 -6.042 1.00 34.41 H new ATOM 735 N GLU A 578 5.236 -52.841 -8.917 1.00 52.52 N ATOM 736 CA GLU A 578 4.868 -53.550 -10.140 1.00 53.42 C ATOM 737 C GLU A 578 5.557 -53.082 -11.413 1.00 54.31 C ATOM 738 O GLU A 578 6.208 -53.838 -12.099 1.00 44.02 O ATOM 739 CB GLU A 578 3.367 -53.353 -10.323 1.00 51.42 C ATOM 740 CG GLU A 578 2.599 -54.615 -10.476 1.00 45.21 C ATOM 741 CD GLU A 578 2.031 -55.123 -9.137 1.00 62.11 C ATOM 742 OE1 GLU A 578 2.528 -54.702 -8.057 1.00 55.23 O ATOM 743 OE2 GLU A 578 0.969 -55.783 -9.152 1.00 41.10 O ATOM 0 H GLU A 578 4.636 -52.045 -8.702 1.00 52.52 H new ATOM 0 HA GLU A 578 5.182 -54.585 -10.006 1.00 53.42 H new ATOM 0 HB2 GLU A 578 2.977 -52.806 -9.465 1.00 51.42 H new ATOM 0 HB3 GLU A 578 3.199 -52.730 -11.202 1.00 51.42 H new ATOM 0 HG2 GLU A 578 1.780 -54.456 -11.178 1.00 45.21 H new ATOM 0 HG3 GLU A 578 3.245 -55.380 -10.907 1.00 45.21 H new ATOM 750 N ASP A 579 5.329 -51.822 -11.733 1.00 72.21 N ATOM 751 CA ASP A 579 5.814 -51.196 -12.965 1.00 24.32 C ATOM 752 C ASP A 579 6.841 -50.137 -12.573 1.00 21.41 C ATOM 753 O ASP A 579 7.713 -49.735 -13.341 1.00 35.21 O ATOM 754 CB ASP A 579 4.615 -50.576 -13.677 1.00 32.42 C ATOM 755 CG ASP A 579 3.545 -50.146 -12.710 1.00 2.24 C ATOM 756 OD1 ASP A 579 3.816 -49.330 -11.814 1.00 31.42 O ATOM 757 OD2 ASP A 579 2.423 -50.683 -12.791 1.00 12.23 O ATOM 0 H ASP A 579 4.794 -51.188 -11.140 1.00 72.21 H new ATOM 0 HA ASP A 579 6.287 -51.912 -13.637 1.00 24.32 H new ATOM 0 HB2 ASP A 579 4.944 -49.715 -14.259 1.00 32.42 H new ATOM 0 HB3 ASP A 579 4.199 -51.297 -14.381 1.00 32.42 H new ATOM 762 N PHE A 580 6.786 -49.766 -11.310 1.00 54.15 N ATOM 763 CA PHE A 580 7.795 -48.946 -10.684 1.00 72.35 C ATOM 764 C PHE A 580 7.663 -49.253 -9.210 1.00 14.23 C ATOM 765 O PHE A 580 6.625 -49.760 -8.767 1.00 65.00 O ATOM 766 CB PHE A 580 7.576 -47.444 -10.953 1.00 22.25 C ATOM 767 CG PHE A 580 6.229 -46.933 -10.509 1.00 14.34 C ATOM 768 CD1 PHE A 580 5.946 -46.745 -9.141 1.00 54.45 C ATOM 769 CD2 PHE A 580 5.235 -46.634 -11.453 1.00 33.12 C ATOM 770 CE1 PHE A 580 4.685 -46.291 -8.716 1.00 0.25 C ATOM 771 CE2 PHE A 580 3.969 -46.165 -11.037 1.00 32.40 C ATOM 772 CZ PHE A 580 3.699 -45.994 -9.658 1.00 22.11 C ATOM 0 H PHE A 580 6.026 -50.031 -10.683 1.00 54.15 H new ATOM 0 HA PHE A 580 8.788 -49.163 -11.077 1.00 72.35 H new ATOM 0 HB2 PHE A 580 8.355 -46.877 -10.443 1.00 22.25 H new ATOM 0 HB3 PHE A 580 7.691 -47.256 -12.020 1.00 22.25 H new ATOM 0 HD1 PHE A 580 6.710 -46.953 -8.407 1.00 54.45 H new ATOM 0 HD2 PHE A 580 5.439 -46.763 -12.506 1.00 33.12 H new ATOM 0 HE1 PHE A 580 4.480 -46.172 -7.662 1.00 0.25 H new ATOM 0 HE2 PHE A 580 3.209 -45.937 -11.770 1.00 32.40 H new ATOM 0 HZ PHE A 580 2.733 -45.635 -9.336 1.00 22.11 H new ATOM 782 N GLU A 581 8.678 -48.902 -8.446 1.00 70.54 N ATOM 783 CA GLU A 581 8.592 -48.967 -6.991 1.00 54.13 C ATOM 784 C GLU A 581 8.143 -47.595 -6.512 1.00 40.44 C ATOM 785 O GLU A 581 8.745 -46.590 -6.896 1.00 53.11 O ATOM 786 CB GLU A 581 9.934 -49.335 -6.372 1.00 44.11 C ATOM 787 CG GLU A 581 10.316 -50.781 -6.637 1.00 32.11 C ATOM 788 CD GLU A 581 11.675 -51.150 -6.033 1.00 64.10 C ATOM 789 OE1 GLU A 581 12.293 -50.296 -5.357 1.00 4.34 O ATOM 790 OE2 GLU A 581 12.161 -52.273 -6.303 1.00 2.34 O ATOM 0 H GLU A 581 9.573 -48.568 -8.803 1.00 70.54 H new ATOM 0 HA GLU A 581 7.885 -49.740 -6.689 1.00 54.13 H new ATOM 0 HB2 GLU A 581 10.707 -48.679 -6.771 1.00 44.11 H new ATOM 0 HB3 GLU A 581 9.894 -49.164 -5.296 1.00 44.11 H new ATOM 0 HG2 GLU A 581 9.549 -51.437 -6.225 1.00 32.11 H new ATOM 0 HG3 GLU A 581 10.341 -50.955 -7.713 1.00 32.11 H new ATOM 797 N ASP A 582 7.067 -47.534 -5.730 1.00 25.23 N ATOM 798 CA ASP A 582 6.556 -46.248 -5.239 1.00 32.24 C ATOM 799 C ASP A 582 7.585 -45.620 -4.364 1.00 24.52 C ATOM 800 O ASP A 582 7.939 -46.091 -3.280 1.00 35.13 O ATOM 801 CB ASP A 582 5.255 -46.366 -4.476 1.00 42.43 C ATOM 802 CG ASP A 582 4.658 -44.991 -4.081 1.00 60.44 C ATOM 803 OD1 ASP A 582 5.231 -43.926 -4.427 1.00 70.43 O ATOM 804 OD2 ASP A 582 3.594 -44.987 -3.423 1.00 64.33 O ATOM 0 H ASP A 582 6.534 -48.348 -5.423 1.00 25.23 H new ATOM 0 HA ASP A 582 6.349 -45.633 -6.115 1.00 32.24 H new ATOM 0 HB2 ASP A 582 4.531 -46.909 -5.084 1.00 42.43 H new ATOM 0 HB3 ASP A 582 5.421 -46.956 -3.575 1.00 42.43 H new ATOM 809 N ALA A 583 8.115 -44.572 -4.927 1.00 22.45 N ATOM 810 CA ALA A 583 9.240 -43.900 -4.388 1.00 53.01 C ATOM 811 C ALA A 583 8.798 -42.621 -3.716 1.00 74.43 C ATOM 812 O ALA A 583 8.422 -41.646 -4.378 1.00 2.00 O ATOM 813 CB ALA A 583 10.170 -43.642 -5.473 1.00 32.15 C ATOM 0 H ALA A 583 7.762 -44.160 -5.791 1.00 22.45 H new ATOM 0 HA ALA A 583 9.734 -44.509 -3.631 1.00 53.01 H new ATOM 0 HB1 ALA A 583 11.047 -43.124 -5.085 1.00 32.15 H new ATOM 0 HB2 ALA A 583 10.476 -44.587 -5.923 1.00 32.15 H new ATOM 0 HB3 ALA A 583 9.686 -43.021 -6.227 1.00 32.15 H new ATOM 819 N TYR A 584 8.849 -42.627 -2.400 1.00 20.43 N ATOM 820 CA TYR A 584 8.484 -41.469 -1.614 1.00 41.11 C ATOM 821 C TYR A 584 9.508 -41.245 -0.522 1.00 1.44 C ATOM 822 O TYR A 584 10.020 -42.189 0.075 1.00 10.20 O ATOM 823 CB TYR A 584 7.085 -41.651 -1.018 1.00 52.00 C ATOM 824 CG TYR A 584 6.839 -43.018 -0.411 1.00 62.53 C ATOM 825 CD1 TYR A 584 7.216 -43.318 0.914 1.00 32.13 C ATOM 826 CD2 TYR A 584 6.221 -44.026 -1.173 1.00 14.21 C ATOM 827 CE1 TYR A 584 6.985 -44.614 1.459 1.00 65.21 C ATOM 828 CE2 TYR A 584 5.988 -45.315 -0.642 1.00 71.13 C ATOM 829 CZ TYR A 584 6.374 -45.601 0.669 1.00 42.21 C ATOM 830 OH TYR A 584 6.153 -46.849 1.196 1.00 61.13 O ATOM 0 H TYR A 584 9.144 -43.432 -1.848 1.00 20.43 H new ATOM 0 HA TYR A 584 8.466 -40.591 -2.260 1.00 41.11 H new ATOM 0 HB2 TYR A 584 6.928 -40.892 -0.251 1.00 52.00 H new ATOM 0 HB3 TYR A 584 6.345 -41.474 -1.798 1.00 52.00 H new ATOM 0 HD1 TYR A 584 7.684 -42.558 1.522 1.00 32.13 H new ATOM 0 HD2 TYR A 584 5.918 -43.810 -2.187 1.00 14.21 H new ATOM 0 HE1 TYR A 584 7.278 -44.836 2.474 1.00 65.21 H new ATOM 0 HE2 TYR A 584 5.514 -46.074 -1.247 1.00 71.13 H new ATOM 0 HH TYR A 584 5.721 -47.416 0.523 1.00 61.13 H new ATOM 840 N GLY A 585 9.821 -39.988 -0.269 1.00 13.54 N ATOM 841 CA GLY A 585 10.764 -39.659 0.780 1.00 20.34 C ATOM 842 C GLY A 585 10.776 -38.168 0.954 1.00 63.33 C ATOM 843 O GLY A 585 9.993 -37.486 0.302 1.00 44.24 O ATOM 0 H GLY A 585 9.440 -39.186 -0.771 1.00 13.54 H new ATOM 0 HA2 GLY A 585 10.480 -40.148 1.712 1.00 20.34 H new ATOM 0 HA3 GLY A 585 11.760 -40.019 0.522 1.00 20.34 H new ATOM 847 N GLU A 586 11.659 -37.657 1.798 1.00 62.12 N ATOM 848 CA GLU A 586 11.802 -36.217 1.973 1.00 31.10 C ATOM 849 C GLU A 586 13.181 -35.786 1.552 1.00 31.14 C ATOM 850 O GLU A 586 14.155 -36.520 1.697 1.00 21.34 O ATOM 851 CB GLU A 586 11.561 -35.785 3.414 1.00 14.15 C ATOM 852 CG GLU A 586 10.091 -35.720 3.755 1.00 22.51 C ATOM 853 CD GLU A 586 9.774 -34.820 4.935 1.00 42.14 C ATOM 854 OE1 GLU A 586 10.454 -34.879 5.973 1.00 2.34 O ATOM 855 OE2 GLU A 586 8.803 -34.035 4.812 1.00 21.50 O ATOM 0 H GLU A 586 12.288 -38.217 2.373 1.00 62.12 H new ATOM 0 HA GLU A 586 11.047 -35.739 1.349 1.00 31.10 H new ATOM 0 HB2 GLU A 586 12.057 -36.483 4.088 1.00 14.15 H new ATOM 0 HB3 GLU A 586 12.013 -34.807 3.578 1.00 14.15 H new ATOM 0 HG2 GLU A 586 9.541 -35.367 2.883 1.00 22.51 H new ATOM 0 HG3 GLU A 586 9.733 -36.727 3.972 1.00 22.51 H new ATOM 862 N LEU A 587 13.242 -34.585 1.011 1.00 21.23 N ATOM 863 CA LEU A 587 14.473 -34.023 0.503 1.00 25.42 C ATOM 864 C LEU A 587 14.869 -32.826 1.333 1.00 1.20 C ATOM 865 O LEU A 587 14.121 -31.856 1.423 1.00 72.33 O ATOM 866 CB LEU A 587 14.254 -33.558 -0.935 1.00 43.04 C ATOM 867 CG LEU A 587 13.770 -34.606 -1.941 1.00 61.22 C ATOM 868 CD1 LEU A 587 13.215 -33.905 -3.150 1.00 12.41 C ATOM 869 CD2 LEU A 587 14.863 -35.549 -2.372 1.00 63.31 C ATOM 0 H LEU A 587 12.434 -33.971 0.912 1.00 21.23 H new ATOM 0 HA LEU A 587 15.256 -34.780 0.546 1.00 25.42 H new ATOM 0 HB2 LEU A 587 13.530 -32.743 -0.920 1.00 43.04 H new ATOM 0 HB3 LEU A 587 15.193 -33.144 -1.303 1.00 43.04 H new ATOM 0 HG LEU A 587 13.004 -35.204 -1.448 1.00 61.22 H new ATOM 0 HD11 LEU A 587 12.868 -34.644 -3.872 1.00 12.41 H new ATOM 0 HD12 LEU A 587 12.381 -33.270 -2.851 1.00 12.41 H new ATOM 0 HD13 LEU A 587 13.993 -33.292 -3.604 1.00 12.41 H new ATOM 0 HD21 LEU A 587 14.462 -36.269 -3.085 1.00 63.31 H new ATOM 0 HD22 LEU A 587 15.667 -34.983 -2.842 1.00 63.31 H new ATOM 0 HD23 LEU A 587 15.252 -36.078 -1.502 1.00 63.31 H new ATOM 881 N GLU A 588 16.055 -32.865 1.907 1.00 75.55 N ATOM 882 CA GLU A 588 16.601 -31.705 2.579 1.00 42.32 C ATOM 883 C GLU A 588 17.064 -30.740 1.511 1.00 75.04 C ATOM 884 O GLU A 588 17.827 -31.104 0.621 1.00 62.03 O ATOM 885 CB GLU A 588 17.823 -32.064 3.424 1.00 5.22 C ATOM 886 CG GLU A 588 17.521 -32.782 4.718 1.00 12.33 C ATOM 887 CD GLU A 588 18.789 -32.997 5.532 1.00 4.11 C ATOM 888 OE1 GLU A 588 19.501 -31.998 5.802 1.00 2.41 O ATOM 889 OE2 GLU A 588 19.113 -34.157 5.849 1.00 3.30 O ATOM 0 H GLU A 588 16.658 -33.687 1.921 1.00 75.55 H new ATOM 0 HA GLU A 588 15.834 -31.286 3.230 1.00 42.32 H new ATOM 0 HB2 GLU A 588 18.487 -32.689 2.827 1.00 5.22 H new ATOM 0 HB3 GLU A 588 18.368 -31.148 3.654 1.00 5.22 H new ATOM 0 HG2 GLU A 588 16.805 -32.203 5.301 1.00 12.33 H new ATOM 0 HG3 GLU A 588 17.055 -33.744 4.504 1.00 12.33 H new ATOM 896 N PHE A 589 16.666 -29.496 1.657 1.00 22.30 N ATOM 897 CA PHE A 589 17.228 -28.407 0.873 1.00 3.42 C ATOM 898 C PHE A 589 17.806 -27.462 1.915 1.00 31.23 C ATOM 899 O PHE A 589 17.087 -26.925 2.748 1.00 13.43 O ATOM 900 CB PHE A 589 16.145 -27.705 0.055 1.00 31.20 C ATOM 901 CG PHE A 589 15.631 -28.518 -1.107 1.00 11.52 C ATOM 902 CD1 PHE A 589 14.618 -29.483 -0.934 1.00 52.33 C ATOM 903 CD2 PHE A 589 16.136 -28.297 -2.397 1.00 63.12 C ATOM 904 CE1 PHE A 589 14.110 -30.197 -2.039 1.00 61.44 C ATOM 905 CE2 PHE A 589 15.625 -28.999 -3.506 1.00 45.14 C ATOM 906 CZ PHE A 589 14.608 -29.953 -3.320 1.00 14.11 C ATOM 0 H PHE A 589 15.946 -29.206 2.319 1.00 22.30 H new ATOM 0 HA PHE A 589 17.972 -28.753 0.156 1.00 3.42 H new ATOM 0 HB2 PHE A 589 15.310 -27.460 0.711 1.00 31.20 H new ATOM 0 HB3 PHE A 589 16.542 -26.762 -0.322 1.00 31.20 H new ATOM 0 HD1 PHE A 589 14.227 -29.677 0.054 1.00 52.33 H new ATOM 0 HD2 PHE A 589 16.929 -27.578 -2.542 1.00 63.12 H new ATOM 0 HE1 PHE A 589 13.334 -30.934 -1.894 1.00 61.44 H new ATOM 0 HE2 PHE A 589 16.012 -28.806 -4.495 1.00 45.14 H new ATOM 0 HZ PHE A 589 14.213 -30.495 -4.166 1.00 14.11 H new ATOM 916 N LYS A 590 19.112 -27.281 1.880 1.00 74.20 N ATOM 917 CA LYS A 590 19.837 -26.571 2.931 1.00 41.42 C ATOM 918 C LYS A 590 20.653 -25.441 2.328 1.00 4.04 C ATOM 919 O LYS A 590 21.740 -25.670 1.821 1.00 32.14 O ATOM 920 CB LYS A 590 20.735 -27.592 3.629 1.00 55.25 C ATOM 921 CG LYS A 590 21.411 -27.136 4.904 1.00 4.13 C ATOM 922 CD LYS A 590 22.435 -28.184 5.397 1.00 51.42 C ATOM 923 CE LYS A 590 21.785 -29.525 5.813 1.00 24.24 C ATOM 924 NZ LYS A 590 21.638 -30.520 4.679 1.00 2.42 N ATOM 0 H LYS A 590 19.706 -27.620 1.124 1.00 74.20 H new ATOM 0 HA LYS A 590 19.151 -26.124 3.651 1.00 41.42 H new ATOM 0 HB2 LYS A 590 20.136 -28.474 3.857 1.00 55.25 H new ATOM 0 HB3 LYS A 590 21.507 -27.904 2.926 1.00 55.25 H new ATOM 0 HG2 LYS A 590 21.914 -26.184 4.732 1.00 4.13 H new ATOM 0 HG3 LYS A 590 20.661 -26.965 5.676 1.00 4.13 H new ATOM 0 HD2 LYS A 590 23.163 -28.370 4.607 1.00 51.42 H new ATOM 0 HD3 LYS A 590 22.983 -27.775 6.246 1.00 51.42 H new ATOM 0 HE2 LYS A 590 22.384 -29.977 6.603 1.00 24.24 H new ATOM 0 HE3 LYS A 590 20.800 -29.324 6.235 1.00 24.24 H new ATOM 0 HZ1 LYS A 590 20.663 -30.881 4.658 1.00 2.42 H new ATOM 0 HZ2 LYS A 590 21.853 -30.051 3.776 1.00 2.42 H new ATOM 0 HZ3 LYS A 590 22.297 -31.311 4.824 1.00 2.42 H new ATOM 938 N ASN A 591 20.079 -24.244 2.353 1.00 1.10 N ATOM 939 CA ASN A 591 20.643 -23.016 1.772 1.00 42.25 C ATOM 940 C ASN A 591 21.222 -23.094 0.342 1.00 0.52 C ATOM 941 O ASN A 591 20.590 -22.602 -0.572 1.00 2.14 O ATOM 942 CB ASN A 591 21.657 -22.403 2.745 1.00 72.13 C ATOM 943 CG ASN A 591 22.072 -20.993 2.352 1.00 3.20 C ATOM 944 OD1 ASN A 591 23.167 -20.567 2.650 1.00 31.50 O ATOM 945 ND2 ASN A 591 21.193 -20.261 1.711 1.00 3.23 N ATOM 0 H ASN A 591 19.173 -24.089 2.794 1.00 1.10 H new ATOM 0 HA ASN A 591 19.775 -22.371 1.634 1.00 42.25 H new ATOM 0 HB2 ASN A 591 21.227 -22.385 3.747 1.00 72.13 H new ATOM 0 HB3 ASN A 591 22.542 -23.038 2.789 1.00 72.13 H new ATOM 0 HD21 ASN A 591 21.422 -19.302 1.448 1.00 3.23 H new ATOM 0 HD22 ASN A 591 20.280 -20.650 1.475 1.00 3.23 H new ATOM 952 N ASP A 592 22.422 -23.636 0.175 1.00 5.24 N ATOM 953 CA ASP A 592 23.076 -23.779 -1.143 1.00 0.43 C ATOM 954 C ASP A 592 22.608 -25.017 -1.943 1.00 24.34 C ATOM 955 O ASP A 592 22.608 -25.028 -3.163 1.00 40.31 O ATOM 956 CB ASP A 592 24.589 -23.855 -0.947 1.00 62.32 C ATOM 957 CG ASP A 592 25.354 -23.528 -2.216 1.00 42.20 C ATOM 958 OD1 ASP A 592 25.000 -22.529 -2.881 1.00 65.34 O ATOM 959 OD2 ASP A 592 26.340 -24.230 -2.517 1.00 22.24 O ATOM 0 H ASP A 592 22.982 -23.995 0.948 1.00 5.24 H new ATOM 0 HA ASP A 592 22.791 -22.904 -1.727 1.00 0.43 H new ATOM 0 HB2 ASP A 592 24.886 -23.163 -0.159 1.00 62.32 H new ATOM 0 HB3 ASP A 592 24.859 -24.856 -0.611 1.00 62.32 H new ATOM 964 N GLU A 593 22.181 -26.042 -1.207 1.00 52.43 N ATOM 965 CA GLU A 593 21.684 -27.348 -1.732 1.00 22.31 C ATOM 966 C GLU A 593 20.454 -27.332 -2.639 1.00 42.11 C ATOM 967 O GLU A 593 19.719 -28.314 -2.712 1.00 3.11 O ATOM 968 CB GLU A 593 21.449 -28.343 -0.590 1.00 34.41 C ATOM 969 CG GLU A 593 22.670 -28.665 0.264 1.00 32.41 C ATOM 970 CD GLU A 593 22.335 -29.696 1.342 1.00 61.04 C ATOM 971 OE1 GLU A 593 21.210 -30.247 1.309 1.00 52.54 O ATOM 972 OE2 GLU A 593 23.156 -29.917 2.254 1.00 32.34 O ATOM 0 H GLU A 593 22.164 -26.001 -0.188 1.00 52.43 H new ATOM 0 HA GLU A 593 22.499 -27.656 -2.388 1.00 22.31 H new ATOM 0 HB2 GLU A 593 20.668 -27.946 0.059 1.00 34.41 H new ATOM 0 HB3 GLU A 593 21.069 -29.272 -1.014 1.00 34.41 H new ATOM 0 HG2 GLU A 593 23.471 -29.045 -0.370 1.00 32.41 H new ATOM 0 HG3 GLU A 593 23.040 -27.753 0.732 1.00 32.41 H new ATOM 979 N THR A 594 20.119 -26.182 -3.184 1.00 12.23 N ATOM 980 CA THR A 594 18.875 -25.961 -3.891 1.00 63.21 C ATOM 981 C THR A 594 18.805 -26.646 -5.242 1.00 44.43 C ATOM 982 O THR A 594 17.894 -26.387 -6.033 1.00 11.52 O ATOM 983 CB THR A 594 18.737 -24.486 -4.165 1.00 52.44 C ATOM 984 OG1 THR A 594 19.626 -24.094 -5.217 1.00 13.45 O ATOM 985 CG2 THR A 594 19.101 -23.692 -2.944 1.00 43.43 C ATOM 0 H THR A 594 20.717 -25.356 -3.147 1.00 12.23 H new ATOM 0 HA THR A 594 18.090 -26.369 -3.255 1.00 63.21 H new ATOM 0 HB THR A 594 17.702 -24.295 -4.447 1.00 52.44 H new ATOM 0 HG1 THR A 594 19.646 -23.116 -5.281 1.00 13.45 H new ATOM 0 HG21 THR A 594 18.996 -22.628 -3.157 1.00 43.43 H new ATOM 0 HG22 THR A 594 18.439 -23.964 -2.122 1.00 43.43 H new ATOM 0 HG23 THR A 594 20.133 -23.906 -2.665 1.00 43.43 H new ATOM 993 N VAL A 595 19.744 -27.543 -5.481 1.00 1.54 N ATOM 994 CA VAL A 595 19.717 -28.414 -6.641 1.00 25.34 C ATOM 995 C VAL A 595 19.660 -29.802 -6.037 1.00 71.54 C ATOM 996 O VAL A 595 20.548 -30.194 -5.277 1.00 32.11 O ATOM 997 CB VAL A 595 20.987 -28.263 -7.527 1.00 3.44 C ATOM 998 CG1 VAL A 595 20.695 -28.743 -8.955 1.00 4.42 C ATOM 999 CG2 VAL A 595 21.472 -26.797 -7.534 1.00 61.45 C ATOM 0 H VAL A 595 20.550 -27.688 -4.873 1.00 1.54 H new ATOM 0 HA VAL A 595 18.880 -28.184 -7.301 1.00 25.34 H new ATOM 0 HB VAL A 595 21.781 -28.881 -7.108 1.00 3.44 H new ATOM 0 HG11 VAL A 595 21.591 -28.633 -9.566 1.00 4.42 H new ATOM 0 HG12 VAL A 595 20.398 -29.791 -8.933 1.00 4.42 H new ATOM 0 HG13 VAL A 595 19.889 -28.146 -9.382 1.00 4.42 H new ATOM 0 HG21 VAL A 595 22.361 -26.711 -8.159 1.00 61.45 H new ATOM 0 HG22 VAL A 595 20.686 -26.155 -7.932 1.00 61.45 H new ATOM 0 HG23 VAL A 595 21.712 -26.488 -6.517 1.00 61.45 H new ATOM 1009 N LYS A 596 18.573 -30.508 -6.287 1.00 64.23 N ATOM 1010 CA LYS A 596 18.352 -31.805 -5.663 1.00 33.31 C ATOM 1011 C LYS A 596 17.660 -32.689 -6.662 1.00 65.04 C ATOM 1012 O LYS A 596 17.278 -32.211 -7.716 1.00 71.30 O ATOM 1013 CB LYS A 596 17.493 -31.616 -4.410 1.00 55.22 C ATOM 1014 CG LYS A 596 17.563 -32.737 -3.373 1.00 14.12 C ATOM 1015 CD LYS A 596 18.967 -32.957 -2.814 1.00 21.14 C ATOM 1016 CE LYS A 596 19.460 -31.725 -2.035 1.00 64.51 C ATOM 1017 NZ LYS A 596 20.216 -32.065 -0.780 1.00 31.23 N ATOM 0 H LYS A 596 17.829 -30.208 -6.917 1.00 64.23 H new ATOM 0 HA LYS A 596 19.294 -32.266 -5.365 1.00 33.31 H new ATOM 0 HB2 LYS A 596 17.789 -30.684 -3.928 1.00 55.22 H new ATOM 0 HB3 LYS A 596 16.455 -31.499 -4.720 1.00 55.22 H new ATOM 0 HG2 LYS A 596 16.885 -32.505 -2.552 1.00 14.12 H new ATOM 0 HG3 LYS A 596 17.211 -33.664 -3.826 1.00 14.12 H new ATOM 0 HD2 LYS A 596 18.967 -33.828 -2.159 1.00 21.14 H new ATOM 0 HD3 LYS A 596 19.656 -33.173 -3.631 1.00 21.14 H new ATOM 0 HE2 LYS A 596 20.101 -31.128 -2.684 1.00 64.51 H new ATOM 0 HE3 LYS A 596 18.603 -31.104 -1.775 1.00 64.51 H new ATOM 0 HZ1 LYS A 596 20.429 -31.192 -0.256 1.00 31.23 H new ATOM 0 HZ2 LYS A 596 19.638 -32.694 -0.186 1.00 31.23 H new ATOM 0 HZ3 LYS A 596 21.105 -32.544 -1.029 1.00 31.23 H new ATOM 1031 N THR A 597 17.507 -33.961 -6.355 1.00 21.44 N ATOM 1032 CA THR A 597 16.920 -34.895 -7.282 1.00 13.54 C ATOM 1033 C THR A 597 16.009 -35.889 -6.578 1.00 4.31 C ATOM 1034 O THR A 597 16.108 -36.074 -5.368 1.00 50.31 O ATOM 1035 CB THR A 597 18.047 -35.673 -7.922 1.00 45.20 C ATOM 1036 OG1 THR A 597 19.261 -35.428 -7.202 1.00 53.45 O ATOM 1037 CG2 THR A 597 18.284 -35.290 -9.388 1.00 22.52 C ATOM 0 H THR A 597 17.785 -34.370 -5.463 1.00 21.44 H new ATOM 0 HA THR A 597 16.329 -34.340 -8.011 1.00 13.54 H new ATOM 0 HB THR A 597 17.759 -36.724 -7.888 1.00 45.20 H new ATOM 0 HG1 THR A 597 19.993 -35.933 -7.614 1.00 53.45 H new ATOM 0 HG21 THR A 597 19.105 -35.883 -9.791 1.00 22.52 H new ATOM 0 HG22 THR A 597 17.380 -35.483 -9.965 1.00 22.52 H new ATOM 0 HG23 THR A 597 18.536 -34.231 -9.451 1.00 22.52 H new ATOM 1045 N ILE A 598 15.143 -36.531 -7.350 1.00 10.02 N ATOM 1046 CA ILE A 598 14.246 -37.582 -6.854 1.00 10.53 C ATOM 1047 C ILE A 598 14.497 -38.801 -7.688 1.00 63.43 C ATOM 1048 O ILE A 598 14.499 -38.705 -8.894 1.00 45.31 O ATOM 1049 CB ILE A 598 12.755 -37.204 -7.023 1.00 61.31 C ATOM 1050 CG1 ILE A 598 12.418 -36.123 -6.000 1.00 54.22 C ATOM 1051 CG2 ILE A 598 11.843 -38.469 -6.871 1.00 72.01 C ATOM 1052 CD1 ILE A 598 11.081 -35.459 -6.172 1.00 45.41 C ATOM 0 H ILE A 598 15.037 -36.340 -8.346 1.00 10.02 H new ATOM 0 HA ILE A 598 14.442 -37.737 -5.793 1.00 10.53 H new ATOM 0 HB ILE A 598 12.572 -36.812 -8.024 1.00 61.31 H new ATOM 0 HG12 ILE A 598 12.458 -36.565 -5.005 1.00 54.22 H new ATOM 0 HG13 ILE A 598 13.192 -35.356 -6.040 1.00 54.22 H new ATOM 0 HG21 ILE A 598 10.799 -38.181 -6.993 1.00 72.01 H new ATOM 0 HG22 ILE A 598 12.109 -39.203 -7.632 1.00 72.01 H new ATOM 0 HG23 ILE A 598 11.986 -38.904 -5.882 1.00 72.01 H new ATOM 0 HD11 ILE A 598 10.944 -34.709 -5.393 1.00 45.41 H new ATOM 0 HD12 ILE A 598 11.036 -34.979 -7.150 1.00 45.41 H new ATOM 0 HD13 ILE A 598 10.291 -36.207 -6.098 1.00 45.41 H new ATOM 1064 N ARG A 599 14.679 -39.938 -7.036 1.00 32.31 N ATOM 1065 CA ARG A 599 14.922 -41.216 -7.719 1.00 33.54 C ATOM 1066 C ARG A 599 13.790 -42.220 -7.546 1.00 51.52 C ATOM 1067 O ARG A 599 13.324 -42.441 -6.435 1.00 11.24 O ATOM 1068 CB ARG A 599 16.234 -41.836 -7.231 1.00 32.21 C ATOM 1069 CG ARG A 599 17.393 -41.290 -8.006 1.00 71.03 C ATOM 1070 CD ARG A 599 18.717 -41.979 -7.800 1.00 11.10 C ATOM 1071 NE ARG A 599 19.680 -41.353 -8.720 1.00 55.14 N ATOM 1072 CZ ARG A 599 19.979 -41.778 -9.944 1.00 62.21 C ATOM 1073 NH1 ARG A 599 19.497 -42.884 -10.449 1.00 65.54 N ATOM 1074 NH2 ARG A 599 20.769 -41.058 -10.685 1.00 72.31 N ATOM 0 H ARG A 599 14.664 -40.010 -6.019 1.00 32.31 H new ATOM 0 HA ARG A 599 14.983 -40.986 -8.783 1.00 33.54 H new ATOM 0 HB2 ARG A 599 16.369 -41.628 -6.170 1.00 32.21 H new ATOM 0 HB3 ARG A 599 16.194 -42.920 -7.341 1.00 32.21 H new ATOM 0 HG2 ARG A 599 17.146 -41.333 -9.067 1.00 71.03 H new ATOM 0 HG3 ARG A 599 17.511 -40.237 -7.749 1.00 71.03 H new ATOM 0 HD2 ARG A 599 19.048 -41.875 -6.767 1.00 11.10 H new ATOM 0 HD3 ARG A 599 18.631 -43.047 -8.001 1.00 11.10 H new ATOM 0 HE ARG A 599 20.162 -40.517 -8.389 1.00 55.14 H new ATOM 0 HH11 ARG A 599 18.862 -43.462 -9.898 1.00 65.54 H new ATOM 0 HH12 ARG A 599 19.756 -43.169 -11.394 1.00 65.54 H new ATOM 0 HH21 ARG A 599 21.149 -40.183 -10.325 1.00 72.31 H new ATOM 0 HH22 ARG A 599 21.009 -41.369 -11.626 1.00 72.31 H new ATOM 1088 N VAL A 600 13.372 -42.825 -8.654 1.00 43.45 N ATOM 1089 CA VAL A 600 12.303 -43.840 -8.668 1.00 71.42 C ATOM 1090 C VAL A 600 12.742 -45.071 -9.475 1.00 52.44 C ATOM 1091 O VAL A 600 13.043 -44.952 -10.664 1.00 21.55 O ATOM 1092 CB VAL A 600 11.007 -43.263 -9.324 1.00 13.43 C ATOM 1093 CG1 VAL A 600 9.883 -44.263 -9.307 1.00 72.44 C ATOM 1094 CG2 VAL A 600 10.605 -41.945 -8.657 1.00 43.32 C ATOM 0 H VAL A 600 13.762 -42.630 -9.576 1.00 43.45 H new ATOM 0 HA VAL A 600 12.102 -44.123 -7.635 1.00 71.42 H new ATOM 0 HB VAL A 600 11.225 -43.054 -10.371 1.00 13.43 H new ATOM 0 HG11 VAL A 600 8.999 -43.825 -9.772 1.00 72.44 H new ATOM 0 HG12 VAL A 600 10.180 -45.154 -9.860 1.00 72.44 H new ATOM 0 HG13 VAL A 600 9.654 -44.535 -8.277 1.00 72.44 H new ATOM 0 HG21 VAL A 600 9.701 -41.560 -9.128 1.00 43.32 H new ATOM 0 HG22 VAL A 600 10.417 -42.116 -7.597 1.00 43.32 H new ATOM 0 HG23 VAL A 600 11.410 -41.219 -8.770 1.00 43.32 H new ATOM 1104 N LYS A 601 12.806 -46.234 -8.834 1.00 63.53 N ATOM 1105 CA LYS A 601 13.199 -47.486 -9.507 1.00 61.54 C ATOM 1106 C LYS A 601 12.083 -47.931 -10.455 1.00 12.35 C ATOM 1107 O LYS A 601 10.921 -47.942 -10.065 1.00 71.52 O ATOM 1108 CB LYS A 601 13.480 -48.574 -8.448 1.00 4.23 C ATOM 1109 CG LYS A 601 14.255 -49.805 -8.956 1.00 22.13 C ATOM 1110 CD LYS A 601 13.339 -50.925 -9.459 1.00 52.51 C ATOM 1111 CE LYS A 601 14.149 -52.075 -10.070 1.00 10.22 C ATOM 1112 NZ LYS A 601 13.281 -53.020 -10.862 1.00 64.31 N ATOM 0 H LYS A 601 12.591 -46.344 -7.843 1.00 63.53 H new ATOM 0 HA LYS A 601 14.106 -47.323 -10.090 1.00 61.54 H new ATOM 0 HB2 LYS A 601 14.042 -48.124 -7.630 1.00 4.23 H new ATOM 0 HB3 LYS A 601 12.529 -48.910 -8.035 1.00 4.23 H new ATOM 0 HG2 LYS A 601 14.922 -49.500 -9.762 1.00 22.13 H new ATOM 0 HG3 LYS A 601 14.882 -50.190 -8.152 1.00 22.13 H new ATOM 0 HD2 LYS A 601 12.734 -51.301 -8.634 1.00 52.51 H new ATOM 0 HD3 LYS A 601 12.650 -50.527 -10.204 1.00 52.51 H new ATOM 0 HE2 LYS A 601 14.925 -51.667 -10.717 1.00 10.22 H new ATOM 0 HE3 LYS A 601 14.653 -52.625 -9.276 1.00 10.22 H new ATOM 0 HZ1 LYS A 601 13.839 -53.851 -11.143 1.00 64.31 H new ATOM 0 HZ2 LYS A 601 12.476 -53.325 -10.278 1.00 64.31 H new ATOM 0 HZ3 LYS A 601 12.928 -52.537 -11.712 1.00 64.31 H new ATOM 1126 N ILE A 602 12.436 -48.292 -11.681 1.00 52.41 N ATOM 1127 CA ILE A 602 11.461 -48.749 -12.679 1.00 35.41 C ATOM 1128 C ILE A 602 11.480 -50.274 -12.677 1.00 71.15 C ATOM 1129 O ILE A 602 12.555 -50.873 -12.671 1.00 63.11 O ATOM 1130 CB ILE A 602 11.807 -48.229 -14.116 1.00 52.15 C ATOM 1131 CG1 ILE A 602 12.090 -46.704 -14.093 1.00 12.30 C ATOM 1132 CG2 ILE A 602 10.651 -48.576 -15.097 1.00 1.20 C ATOM 1133 CD1 ILE A 602 10.949 -45.829 -13.583 1.00 73.04 C ATOM 0 H ILE A 602 13.399 -48.279 -12.017 1.00 52.41 H new ATOM 0 HA ILE A 602 10.477 -48.358 -12.420 1.00 35.41 H new ATOM 0 HB ILE A 602 12.713 -48.725 -14.465 1.00 52.15 H new ATOM 0 HG12 ILE A 602 12.967 -46.525 -13.471 1.00 12.30 H new ATOM 0 HG13 ILE A 602 12.345 -46.385 -15.104 1.00 12.30 H new ATOM 0 HG21 ILE A 602 10.898 -48.212 -16.094 1.00 1.20 H new ATOM 0 HG22 ILE A 602 10.513 -49.657 -15.129 1.00 1.20 H new ATOM 0 HG23 ILE A 602 9.730 -48.103 -14.756 1.00 1.20 H new ATOM 0 HD11 ILE A 602 11.253 -44.783 -13.609 1.00 73.04 H new ATOM 0 HD12 ILE A 602 10.073 -45.968 -14.216 1.00 73.04 H new ATOM 0 HD13 ILE A 602 10.705 -46.110 -12.559 1.00 73.04 H new ATOM 1145 N VAL A 603 10.315 -50.899 -12.621 1.00 0.32 N ATOM 1146 CA VAL A 603 10.216 -52.358 -12.539 1.00 34.32 C ATOM 1147 C VAL A 603 9.742 -52.934 -13.875 1.00 63.52 C ATOM 1148 O VAL A 603 8.894 -52.365 -14.547 1.00 12.44 O ATOM 1149 CB VAL A 603 9.266 -52.785 -11.381 1.00 42.51 C ATOM 1150 CG1 VAL A 603 9.227 -54.308 -11.226 1.00 13.24 C ATOM 1151 CG2 VAL A 603 9.723 -52.170 -10.052 1.00 0.42 C ATOM 0 H VAL A 603 9.415 -50.419 -12.631 1.00 0.32 H new ATOM 0 HA VAL A 603 11.206 -52.760 -12.323 1.00 34.32 H new ATOM 0 HB VAL A 603 8.269 -52.424 -11.634 1.00 42.51 H new ATOM 0 HG11 VAL A 603 8.555 -54.574 -10.410 1.00 13.24 H new ATOM 0 HG12 VAL A 603 8.869 -54.759 -12.152 1.00 13.24 H new ATOM 0 HG13 VAL A 603 10.229 -54.677 -11.006 1.00 13.24 H new ATOM 0 HG21 VAL A 603 9.046 -52.480 -9.256 1.00 0.42 H new ATOM 0 HG22 VAL A 603 10.733 -52.509 -9.822 1.00 0.42 H new ATOM 0 HG23 VAL A 603 9.715 -51.083 -10.132 1.00 0.42 H new ATOM 1295 N GLU A 612 3.659 -47.597 -20.115 1.00 10.35 N ATOM 1296 CA GLU A 612 3.249 -47.219 -18.768 1.00 42.21 C ATOM 1297 C GLU A 612 3.485 -45.720 -18.577 1.00 53.03 C ATOM 1298 O GLU A 612 4.364 -45.127 -19.204 1.00 34.12 O ATOM 1299 CB GLU A 612 4.067 -47.991 -17.721 1.00 33.42 C ATOM 1300 CG GLU A 612 4.012 -49.521 -17.866 1.00 23.42 C ATOM 1301 CD GLU A 612 4.777 -50.021 -19.094 1.00 22.30 C ATOM 1302 OE1 GLU A 612 5.876 -49.500 -19.359 1.00 52.51 O ATOM 1303 OE2 GLU A 612 4.199 -50.798 -19.879 1.00 45.31 O ATOM 0 HA GLU A 612 2.193 -47.457 -18.640 1.00 42.21 H new ATOM 0 HB2 GLU A 612 5.107 -47.671 -17.783 1.00 33.42 H new ATOM 0 HB3 GLU A 612 3.709 -47.720 -16.728 1.00 33.42 H new ATOM 0 HG2 GLU A 612 4.427 -49.983 -16.970 1.00 23.42 H new ATOM 0 HG3 GLU A 612 2.972 -49.839 -17.936 1.00 23.42 H new ATOM 1310 N ASN A 613 2.682 -45.101 -17.726 1.00 3.23 N ATOM 1311 CA ASN A 613 2.766 -43.670 -17.486 1.00 64.51 C ATOM 1312 C ASN A 613 2.519 -43.369 -16.019 1.00 54.01 C ATOM 1313 O ASN A 613 1.576 -43.877 -15.402 1.00 71.54 O ATOM 1314 CB ASN A 613 1.745 -42.960 -18.368 1.00 33.34 C ATOM 1315 CG ASN A 613 1.090 -41.794 -17.687 1.00 72.13 C ATOM 1316 OD1 ASN A 613 -0.006 -41.901 -17.158 1.00 44.22 O ATOM 1317 ND2 ASN A 613 1.737 -40.676 -17.723 1.00 75.03 N ATOM 0 H ASN A 613 1.958 -45.574 -17.185 1.00 3.23 H new ATOM 0 HA ASN A 613 3.764 -43.311 -17.736 1.00 64.51 H new ATOM 0 HB2 ASN A 613 2.237 -42.613 -19.277 1.00 33.34 H new ATOM 0 HB3 ASN A 613 0.979 -43.673 -18.673 1.00 33.34 H new ATOM 0 HD21 ASN A 613 1.334 -39.840 -17.299 1.00 75.03 H new ATOM 0 HD22 ASN A 613 2.650 -40.630 -18.175 1.00 75.03 H new ATOM 1324 N PHE A 614 3.389 -42.548 -15.462 1.00 64.23 N ATOM 1325 CA PHE A 614 3.304 -42.159 -14.063 1.00 65.35 C ATOM 1326 C PHE A 614 3.958 -40.797 -13.895 1.00 15.34 C ATOM 1327 O PHE A 614 4.609 -40.301 -14.803 1.00 45.22 O ATOM 1328 CB PHE A 614 3.987 -43.207 -13.170 1.00 40.33 C ATOM 1329 CG PHE A 614 5.483 -43.060 -13.081 1.00 44.10 C ATOM 1330 CD1 PHE A 614 6.336 -43.673 -14.019 1.00 10.32 C ATOM 1331 CD2 PHE A 614 6.050 -42.313 -12.032 1.00 74.54 C ATOM 1332 CE1 PHE A 614 7.743 -43.549 -13.894 1.00 22.15 C ATOM 1333 CE2 PHE A 614 7.445 -42.182 -11.902 1.00 51.20 C ATOM 1334 CZ PHE A 614 8.289 -42.806 -12.823 1.00 50.44 C ATOM 0 H PHE A 614 4.174 -42.132 -15.963 1.00 64.23 H new ATOM 0 HA PHE A 614 2.259 -42.099 -13.760 1.00 65.35 H new ATOM 0 HB2 PHE A 614 3.566 -43.143 -12.166 1.00 40.33 H new ATOM 0 HB3 PHE A 614 3.753 -44.201 -13.551 1.00 40.33 H new ATOM 0 HD1 PHE A 614 5.917 -44.240 -14.837 1.00 10.32 H new ATOM 0 HD2 PHE A 614 5.403 -41.832 -11.314 1.00 74.54 H new ATOM 0 HE1 PHE A 614 8.395 -44.021 -14.614 1.00 22.15 H new ATOM 0 HE2 PHE A 614 7.862 -41.601 -11.093 1.00 51.20 H new ATOM 0 HZ PHE A 614 9.360 -42.721 -12.717 1.00 50.44 H new ATOM 1344 N PHE A 615 3.777 -40.182 -12.741 1.00 61.54 N ATOM 1345 CA PHE A 615 4.366 -38.886 -12.445 1.00 41.25 C ATOM 1346 C PHE A 615 4.792 -38.873 -10.989 1.00 1.44 C ATOM 1347 O PHE A 615 4.456 -39.770 -10.244 1.00 32.14 O ATOM 1348 CB PHE A 615 3.363 -37.752 -12.703 1.00 73.35 C ATOM 1349 CG PHE A 615 1.991 -38.217 -13.130 1.00 70.24 C ATOM 1350 CD1 PHE A 615 1.749 -38.615 -14.459 1.00 5.45 C ATOM 1351 CD2 PHE A 615 0.926 -38.238 -12.211 1.00 32.00 C ATOM 1352 CE1 PHE A 615 0.472 -39.047 -14.866 1.00 12.43 C ATOM 1353 CE2 PHE A 615 -0.364 -38.671 -12.611 1.00 23.01 C ATOM 1354 CZ PHE A 615 -0.587 -39.073 -13.941 1.00 72.33 C ATOM 0 H PHE A 615 3.217 -40.566 -11.980 1.00 61.54 H new ATOM 0 HA PHE A 615 5.226 -38.726 -13.096 1.00 41.25 H new ATOM 0 HB2 PHE A 615 3.265 -37.157 -11.795 1.00 73.35 H new ATOM 0 HB3 PHE A 615 3.767 -37.095 -13.473 1.00 73.35 H new ATOM 0 HD1 PHE A 615 2.555 -38.588 -15.177 1.00 5.45 H new ATOM 0 HD2 PHE A 615 1.092 -37.922 -11.192 1.00 32.00 H new ATOM 0 HE1 PHE A 615 0.306 -39.358 -15.887 1.00 12.43 H new ATOM 0 HE2 PHE A 615 -1.173 -38.692 -11.896 1.00 23.01 H new ATOM 0 HZ PHE A 615 -1.569 -39.401 -14.250 1.00 72.33 H new ATOM 1364 N ILE A 616 5.518 -37.851 -10.566 1.00 73.42 N ATOM 1365 CA ILE A 616 5.929 -37.738 -9.167 1.00 52.12 C ATOM 1366 C ILE A 616 5.523 -36.368 -8.714 1.00 53.31 C ATOM 1367 O ILE A 616 5.952 -35.379 -9.284 1.00 72.41 O ATOM 1368 CB ILE A 616 7.468 -37.837 -9.010 1.00 3.00 C ATOM 1369 CG1 ILE A 616 8.032 -39.071 -9.735 1.00 31.33 C ATOM 1370 CG2 ILE A 616 7.863 -37.883 -7.517 1.00 24.52 C ATOM 1371 CD1 ILE A 616 9.490 -38.928 -10.050 1.00 2.54 C ATOM 0 H ILE A 616 5.836 -37.089 -11.164 1.00 73.42 H new ATOM 0 HA ILE A 616 5.470 -38.542 -8.592 1.00 52.12 H new ATOM 0 HB ILE A 616 7.898 -36.946 -9.467 1.00 3.00 H new ATOM 0 HG12 ILE A 616 7.881 -39.955 -9.115 1.00 31.33 H new ATOM 0 HG13 ILE A 616 7.477 -39.232 -10.659 1.00 31.33 H new ATOM 0 HG21 ILE A 616 8.947 -37.952 -7.429 1.00 24.52 H new ATOM 0 HG22 ILE A 616 7.516 -36.977 -7.021 1.00 24.52 H new ATOM 0 HG23 ILE A 616 7.405 -38.753 -7.046 1.00 24.52 H new ATOM 0 HD11 ILE A 616 9.841 -39.824 -10.561 1.00 2.54 H new ATOM 0 HD12 ILE A 616 9.640 -38.061 -10.693 1.00 2.54 H new ATOM 0 HD13 ILE A 616 10.051 -38.795 -9.125 1.00 2.54 H new ATOM 1383 N ALA A 617 4.678 -36.304 -7.704 1.00 54.11 N ATOM 1384 CA ALA A 617 4.210 -35.031 -7.182 1.00 33.23 C ATOM 1385 C ALA A 617 4.874 -34.798 -5.842 1.00 54.42 C ATOM 1386 O ALA A 617 5.171 -35.737 -5.098 1.00 44.44 O ATOM 1387 CB ALA A 617 2.680 -35.048 -7.028 1.00 22.41 C ATOM 0 H ALA A 617 4.299 -37.121 -7.225 1.00 54.11 H new ATOM 0 HA ALA A 617 4.467 -34.226 -7.870 1.00 33.23 H new ATOM 0 HB1 ALA A 617 2.343 -34.088 -6.636 1.00 22.41 H new ATOM 0 HB2 ALA A 617 2.218 -35.226 -7.999 1.00 22.41 H new ATOM 0 HB3 ALA A 617 2.392 -35.842 -6.339 1.00 22.41 H new ATOM 1393 N LEU A 618 5.084 -33.535 -5.539 1.00 41.42 N ATOM 1394 CA LEU A 618 5.646 -33.136 -4.264 1.00 55.45 C ATOM 1395 C LEU A 618 4.498 -33.017 -3.276 1.00 73.21 C ATOM 1396 O LEU A 618 3.376 -32.717 -3.669 1.00 12.00 O ATOM 1397 CB LEU A 618 6.368 -31.800 -4.427 1.00 21.45 C ATOM 1398 CG LEU A 618 7.534 -31.852 -5.429 1.00 42.21 C ATOM 1399 CD1 LEU A 618 8.003 -30.453 -5.742 1.00 24.23 C ATOM 1400 CD2 LEU A 618 8.679 -32.698 -4.891 1.00 60.14 C ATOM 0 H LEU A 618 4.872 -32.758 -6.165 1.00 41.42 H new ATOM 0 HA LEU A 618 6.369 -33.867 -3.902 1.00 55.45 H new ATOM 0 HB2 LEU A 618 5.652 -31.046 -4.754 1.00 21.45 H new ATOM 0 HB3 LEU A 618 6.747 -31.480 -3.456 1.00 21.45 H new ATOM 0 HG LEU A 618 7.182 -32.320 -6.349 1.00 42.21 H new ATOM 0 HD11 LEU A 618 8.829 -30.496 -6.452 1.00 24.23 H new ATOM 0 HD12 LEU A 618 7.182 -29.882 -6.175 1.00 24.23 H new ATOM 0 HD13 LEU A 618 8.338 -29.968 -4.825 1.00 24.23 H new ATOM 0 HD21 LEU A 618 9.490 -32.718 -5.619 1.00 60.14 H new ATOM 0 HD22 LEU A 618 9.041 -32.269 -3.957 1.00 60.14 H new ATOM 0 HD23 LEU A 618 8.328 -33.714 -4.711 1.00 60.14 H new ATOM 1412 N GLY A 619 4.781 -33.262 -2.005 1.00 71.13 N ATOM 1413 CA GLY A 619 3.763 -33.145 -0.972 1.00 71.35 C ATOM 1414 C GLY A 619 3.482 -31.683 -0.706 1.00 24.30 C ATOM 1415 O GLY A 619 2.588 -31.074 -1.274 1.00 14.41 O ATOM 0 H GLY A 619 5.701 -33.541 -1.666 1.00 71.13 H new ATOM 0 HA2 GLY A 619 2.850 -33.651 -1.287 1.00 71.35 H new ATOM 0 HA3 GLY A 619 4.099 -33.634 -0.058 1.00 71.35 H new ATOM 1419 N GLU A 620 4.323 -31.101 0.131 1.00 34.41 N ATOM 1420 CA GLU A 620 4.289 -29.674 0.388 1.00 0.21 C ATOM 1421 C GLU A 620 5.655 -29.321 0.957 1.00 25.24 C ATOM 1422 O GLU A 620 6.179 -30.024 1.826 1.00 70.12 O ATOM 1423 CB GLU A 620 3.149 -29.272 1.355 1.00 14.40 C ATOM 1424 CG GLU A 620 3.438 -29.464 2.848 1.00 11.10 C ATOM 1425 CD GLU A 620 2.385 -28.846 3.749 1.00 55.12 C ATOM 1426 OE1 GLU A 620 2.214 -27.602 3.694 1.00 42.13 O ATOM 1427 OE2 GLU A 620 1.820 -29.569 4.590 1.00 11.03 O ATOM 0 H GLU A 620 5.045 -31.602 0.649 1.00 34.41 H new ATOM 0 HA GLU A 620 4.082 -29.124 -0.530 1.00 0.21 H new ATOM 0 HB2 GLU A 620 2.907 -28.223 1.184 1.00 14.40 H new ATOM 0 HB3 GLU A 620 2.261 -29.850 1.099 1.00 14.40 H new ATOM 0 HG2 GLU A 620 3.509 -30.530 3.063 1.00 11.10 H new ATOM 0 HG3 GLU A 620 4.408 -29.026 3.082 1.00 11.10 H new ATOM 1434 N PRO A 621 6.286 -28.271 0.443 1.00 42.24 N ATOM 1435 CA PRO A 621 7.559 -27.908 1.060 1.00 75.44 C ATOM 1436 C PRO A 621 7.314 -27.344 2.464 1.00 44.44 C ATOM 1437 O PRO A 621 6.304 -26.678 2.711 1.00 34.10 O ATOM 1438 CB PRO A 621 8.109 -26.873 0.085 1.00 42.02 C ATOM 1439 CG PRO A 621 6.885 -26.248 -0.505 1.00 10.12 C ATOM 1440 CD PRO A 621 5.934 -27.367 -0.664 1.00 4.54 C ATOM 0 HA PRO A 621 8.253 -28.734 1.211 1.00 75.44 H new ATOM 0 HB2 PRO A 621 8.729 -26.135 0.594 1.00 42.02 H new ATOM 0 HB3 PRO A 621 8.730 -27.337 -0.682 1.00 42.02 H new ATOM 0 HG2 PRO A 621 6.481 -25.474 0.148 1.00 10.12 H new ATOM 0 HG3 PRO A 621 7.104 -25.775 -1.462 1.00 10.12 H new ATOM 0 HD2 PRO A 621 4.900 -27.029 -0.594 1.00 4.54 H new ATOM 0 HD3 PRO A 621 6.045 -27.855 -1.632 1.00 4.54 H new ATOM 1448 N LYS A 622 8.210 -27.638 3.395 1.00 61.13 N ATOM 1449 CA LYS A 622 8.065 -27.208 4.790 1.00 12.33 C ATOM 1450 C LYS A 622 9.390 -26.643 5.256 1.00 54.31 C ATOM 1451 O LYS A 622 10.421 -27.205 4.982 1.00 61.42 O ATOM 1452 CB LYS A 622 7.687 -28.406 5.670 1.00 44.14 C ATOM 1453 CG LYS A 622 6.327 -29.024 5.321 1.00 4.22 C ATOM 1454 CD LYS A 622 6.079 -30.352 6.025 1.00 25.25 C ATOM 1455 CE LYS A 622 6.934 -31.463 5.413 1.00 23.14 C ATOM 1456 NZ LYS A 622 6.623 -32.809 5.987 1.00 31.52 N ATOM 0 H LYS A 622 9.056 -28.178 3.213 1.00 61.13 H new ATOM 0 HA LYS A 622 7.282 -26.454 4.865 1.00 12.33 H new ATOM 0 HB2 LYS A 622 8.458 -29.171 5.577 1.00 44.14 H new ATOM 0 HB3 LYS A 622 7.675 -28.090 6.713 1.00 44.14 H new ATOM 0 HG2 LYS A 622 5.536 -28.324 5.589 1.00 4.22 H new ATOM 0 HG3 LYS A 622 6.268 -29.174 4.243 1.00 4.22 H new ATOM 0 HD2 LYS A 622 6.308 -30.254 7.086 1.00 25.25 H new ATOM 0 HD3 LYS A 622 5.024 -30.616 5.950 1.00 25.25 H new ATOM 0 HE2 LYS A 622 6.776 -31.486 4.335 1.00 23.14 H new ATOM 0 HE3 LYS A 622 7.988 -31.237 5.576 1.00 23.14 H new ATOM 0 HZ1 LYS A 622 7.275 -33.515 5.589 1.00 31.52 H new ATOM 0 HZ2 LYS A 622 6.734 -32.780 7.021 1.00 31.52 H new ATOM 0 HZ3 LYS A 622 5.644 -33.069 5.751 1.00 31.52 H new ATOM 1470 N TRP A 623 9.367 -25.547 5.981 1.00 31.44 N ATOM 1471 CA TRP A 623 10.598 -24.893 6.423 1.00 74.41 C ATOM 1472 C TRP A 623 11.076 -25.575 7.662 1.00 63.21 C ATOM 1473 O TRP A 623 10.454 -25.433 8.717 1.00 35.25 O ATOM 1474 CB TRP A 623 10.269 -23.458 6.770 1.00 51.23 C ATOM 1475 CG TRP A 623 11.369 -22.518 6.607 1.00 43.23 C ATOM 1476 CD1 TRP A 623 12.619 -22.724 6.115 1.00 13.41 C ATOM 1477 CD2 TRP A 623 11.320 -21.150 6.966 1.00 63.14 C ATOM 1478 NE1 TRP A 623 13.330 -21.562 6.087 1.00 3.13 N ATOM 1479 CE2 TRP A 623 12.555 -20.562 6.584 1.00 10.30 C ATOM 1480 CE3 TRP A 623 10.366 -20.367 7.610 1.00 34.55 C ATOM 1481 CZ2 TRP A 623 12.827 -19.195 6.778 1.00 54.44 C ATOM 1482 CZ3 TRP A 623 10.624 -19.048 7.855 1.00 55.22 C ATOM 1483 CH2 TRP A 623 11.850 -18.431 7.404 1.00 34.31 C ATOM 0 H TRP A 623 8.511 -25.082 6.283 1.00 31.44 H new ATOM 0 HA TRP A 623 11.359 -24.939 5.644 1.00 74.41 H new ATOM 0 HB2 TRP A 623 9.436 -23.131 6.147 1.00 51.23 H new ATOM 0 HB3 TRP A 623 9.928 -23.419 7.805 1.00 51.23 H new ATOM 0 HD1 TRP A 623 12.998 -23.681 5.790 1.00 13.41 H new ATOM 0 HE1 TRP A 623 14.287 -21.459 5.749 1.00 3.13 H new ATOM 0 HE3 TRP A 623 9.425 -20.801 7.915 1.00 34.55 H new ATOM 0 HZ2 TRP A 623 13.759 -18.757 6.453 1.00 54.44 H new ATOM 0 HZ3 TRP A 623 9.899 -18.457 8.395 1.00 55.22 H new ATOM 0 HH2 TRP A 623 12.007 -17.373 7.554 1.00 34.31 H new ATOM 1494 N MET A 624 12.185 -26.298 7.591 1.00 1.11 N ATOM 1495 CA MET A 624 12.776 -26.649 8.841 1.00 54.10 C ATOM 1496 C MET A 624 14.213 -26.208 8.983 1.00 52.11 C ATOM 1497 O MET A 624 15.154 -26.967 9.190 1.00 44.52 O ATOM 1498 CB MET A 624 12.976 -28.107 8.673 1.00 60.30 C ATOM 1499 CG MET A 624 11.790 -28.963 8.260 1.00 44.41 C ATOM 1500 SD MET A 624 10.608 -29.273 9.549 1.00 52.11 S ATOM 1501 CE MET A 624 9.817 -30.672 8.804 1.00 34.34 C ATOM 0 H MET A 624 12.652 -26.624 6.745 1.00 1.11 H new ATOM 0 HA MET A 624 12.168 -26.246 9.651 1.00 54.10 H new ATOM 0 HB2 MET A 624 13.761 -28.250 7.931 1.00 60.30 H new ATOM 0 HB3 MET A 624 13.355 -28.500 9.617 1.00 60.30 H new ATOM 0 HG2 MET A 624 11.280 -28.475 7.429 1.00 44.41 H new ATOM 0 HG3 MET A 624 12.161 -29.919 7.890 1.00 44.41 H new ATOM 0 HE1 MET A 624 9.025 -31.034 9.460 1.00 34.34 H new ATOM 0 HE2 MET A 624 9.389 -30.380 7.845 1.00 34.34 H new ATOM 0 HE3 MET A 624 10.550 -31.464 8.648 1.00 34.34 H new ATOM 1511 N GLU A 625 14.239 -24.968 9.307 1.00 50.02 N ATOM 1512 CA GLU A 625 15.183 -24.293 10.138 1.00 63.42 C ATOM 1513 C GLU A 625 14.365 -23.164 10.677 1.00 71.11 C ATOM 1514 O GLU A 625 14.703 -22.175 10.217 1.00 62.13 O ATOM 1515 CB GLU A 625 16.202 -23.755 9.118 1.00 33.13 C ATOM 1516 CG GLU A 625 17.309 -22.800 9.585 1.00 54.32 C ATOM 1517 CD GLU A 625 18.703 -23.295 9.254 1.00 64.53 C ATOM 1518 OE1 GLU A 625 18.994 -23.488 8.051 1.00 13.44 O ATOM 1519 OE2 GLU A 625 19.517 -23.458 10.180 1.00 51.40 O ATOM 0 H GLU A 625 13.525 -24.327 8.962 1.00 50.02 H new ATOM 0 HA GLU A 625 15.673 -24.859 10.930 1.00 63.42 H new ATOM 0 HB2 GLU A 625 16.687 -24.615 8.656 1.00 33.13 H new ATOM 0 HB3 GLU A 625 15.641 -23.246 8.334 1.00 33.13 H new ATOM 0 HG2 GLU A 625 17.157 -21.825 9.123 1.00 54.32 H new ATOM 0 HG3 GLU A 625 17.227 -22.658 10.663 1.00 54.32 H new ATOM 1526 N ARG A 626 13.661 -23.104 11.797 1.00 0.10 N ATOM 1527 CA ARG A 626 12.949 -21.819 12.203 1.00 33.42 C ATOM 1528 C ARG A 626 11.972 -22.087 13.330 1.00 65.13 C ATOM 1529 O ARG A 626 12.205 -21.699 14.464 1.00 22.11 O ATOM 1530 CB ARG A 626 12.106 -21.003 11.079 1.00 43.21 C ATOM 1531 CG ARG A 626 12.849 -20.299 9.948 1.00 2.11 C ATOM 1532 CD ARG A 626 13.971 -19.323 10.411 1.00 30.41 C ATOM 1533 NE ARG A 626 13.518 -18.360 11.441 1.00 44.44 N ATOM 1534 CZ ARG A 626 14.031 -18.247 12.662 1.00 51.53 C ATOM 1535 NH1 ARG A 626 15.024 -18.993 13.084 1.00 33.34 N ATOM 1536 NH2 ARG A 626 13.545 -17.359 13.474 1.00 54.51 N ATOM 0 H ARG A 626 13.546 -23.881 12.447 1.00 0.10 H new ATOM 0 HA ARG A 626 13.798 -21.188 12.465 1.00 33.42 H new ATOM 0 HB2 ARG A 626 11.406 -21.703 10.624 1.00 43.21 H new ATOM 0 HB3 ARG A 626 11.512 -20.251 11.598 1.00 43.21 H new ATOM 0 HG2 ARG A 626 13.290 -21.054 9.297 1.00 2.11 H new ATOM 0 HG3 ARG A 626 12.128 -19.743 9.349 1.00 2.11 H new ATOM 0 HD2 ARG A 626 14.806 -19.901 10.806 1.00 30.41 H new ATOM 0 HD3 ARG A 626 14.344 -18.773 9.547 1.00 30.41 H new ATOM 0 HE ARG A 626 12.752 -17.734 11.194 1.00 44.44 H new ATOM 0 HH11 ARG A 626 15.434 -19.694 12.466 1.00 33.34 H new ATOM 0 HH12 ARG A 626 15.387 -18.872 14.030 1.00 33.34 H new ATOM 0 HH21 ARG A 626 12.778 -16.758 13.173 1.00 54.51 H new ATOM 0 HH22 ARG A 626 13.930 -17.262 14.414 1.00 54.51 H new ATOM 1916 N GLY A 650 7.143 -18.017 7.068 1.00 71.40 N ATOM 1917 CA GLY A 650 8.014 -18.253 5.923 1.00 55.45 C ATOM 1918 C GLY A 650 7.599 -19.379 5.011 1.00 32.23 C ATOM 1919 O GLY A 650 8.444 -19.943 4.324 1.00 21.20 O ATOM 0 HA2 GLY A 650 8.070 -17.336 5.336 1.00 55.45 H new ATOM 0 HA3 GLY A 650 9.020 -18.458 6.290 1.00 55.45 H new ATOM 1923 N LYS A 651 6.331 -19.761 5.049 1.00 13.12 N ATOM 1924 CA LYS A 651 5.879 -21.000 4.422 1.00 74.51 C ATOM 1925 C LYS A 651 6.159 -21.060 2.919 1.00 31.23 C ATOM 1926 O LYS A 651 5.597 -20.293 2.138 1.00 54.41 O ATOM 1927 CB LYS A 651 4.363 -21.143 4.627 1.00 61.01 C ATOM 1928 CG LYS A 651 3.951 -22.306 5.516 1.00 74.45 C ATOM 1929 CD LYS A 651 3.294 -23.456 4.717 1.00 24.43 C ATOM 1930 CE LYS A 651 4.334 -24.347 4.041 1.00 3.20 C ATOM 1931 NZ LYS A 651 3.730 -25.334 3.086 1.00 73.40 N ATOM 0 H LYS A 651 5.592 -19.230 5.509 1.00 13.12 H new ATOM 0 HA LYS A 651 6.437 -21.808 4.895 1.00 74.51 H new ATOM 0 HB2 LYS A 651 3.979 -20.219 5.059 1.00 61.01 H new ATOM 0 HB3 LYS A 651 3.888 -21.261 3.653 1.00 61.01 H new ATOM 0 HG2 LYS A 651 4.827 -22.686 6.041 1.00 74.45 H new ATOM 0 HG3 LYS A 651 3.254 -21.950 6.275 1.00 74.45 H new ATOM 0 HD2 LYS A 651 2.680 -24.058 5.386 1.00 24.43 H new ATOM 0 HD3 LYS A 651 2.628 -23.039 3.962 1.00 24.43 H new ATOM 0 HE2 LYS A 651 5.047 -23.721 3.505 1.00 3.20 H new ATOM 0 HE3 LYS A 651 4.894 -24.886 4.805 1.00 3.20 H new ATOM 0 HZ1 LYS A 651 4.485 -25.898 2.646 1.00 73.40 H new ATOM 0 HZ2 LYS A 651 3.082 -25.964 3.601 1.00 73.40 H new ATOM 0 HZ3 LYS A 651 3.203 -24.825 2.348 1.00 73.40 H new ATOM 1945 N PRO A 652 7.018 -22.009 2.492 1.00 2.13 N ATOM 1946 CA PRO A 652 7.213 -22.156 1.051 1.00 4.55 C ATOM 1947 C PRO A 652 5.988 -22.750 0.397 1.00 21.02 C ATOM 1948 O PRO A 652 5.148 -23.380 1.051 1.00 21.32 O ATOM 1949 CB PRO A 652 8.386 -23.128 0.953 1.00 25.13 C ATOM 1950 CG PRO A 652 8.312 -23.910 2.193 1.00 41.15 C ATOM 1951 CD PRO A 652 7.820 -22.994 3.245 1.00 25.14 C ATOM 0 HA PRO A 652 7.393 -21.205 0.551 1.00 4.55 H new ATOM 0 HB2 PRO A 652 8.301 -23.767 0.074 1.00 25.13 H new ATOM 0 HB3 PRO A 652 9.336 -22.599 0.872 1.00 25.13 H new ATOM 0 HG2 PRO A 652 7.640 -24.760 2.075 1.00 41.15 H new ATOM 0 HG3 PRO A 652 9.291 -24.312 2.456 1.00 41.15 H new ATOM 0 HD2 PRO A 652 7.218 -23.520 3.986 1.00 25.14 H new ATOM 0 HD3 PRO A 652 8.642 -22.518 3.780 1.00 25.14 H new ATOM 1959 N VAL A 653 5.906 -22.565 -0.904 1.00 33.01 N ATOM 1960 CA VAL A 653 4.780 -23.085 -1.693 1.00 61.40 C ATOM 1961 C VAL A 653 5.276 -23.834 -2.930 1.00 32.41 C ATOM 1962 O VAL A 653 6.465 -23.810 -3.252 1.00 51.40 O ATOM 1963 CB VAL A 653 3.771 -21.951 -2.094 1.00 12.41 C ATOM 1964 CG1 VAL A 653 3.166 -21.300 -0.836 1.00 22.13 C ATOM 1965 CG2 VAL A 653 4.428 -20.885 -2.957 1.00 64.13 C ATOM 0 H VAL A 653 6.602 -22.058 -1.450 1.00 33.01 H new ATOM 0 HA VAL A 653 4.242 -23.789 -1.059 1.00 61.40 H new ATOM 0 HB VAL A 653 2.979 -22.417 -2.680 1.00 12.41 H new ATOM 0 HG11 VAL A 653 2.469 -20.516 -1.132 1.00 22.13 H new ATOM 0 HG12 VAL A 653 2.638 -22.055 -0.254 1.00 22.13 H new ATOM 0 HG13 VAL A 653 3.963 -20.868 -0.231 1.00 22.13 H new ATOM 0 HG21 VAL A 653 3.695 -20.120 -3.212 1.00 64.13 H new ATOM 0 HG22 VAL A 653 5.252 -20.429 -2.408 1.00 64.13 H new ATOM 0 HG23 VAL A 653 4.809 -21.341 -3.871 1.00 64.13 H new ATOM 1975 N LEU A 654 4.367 -24.545 -3.581 1.00 43.42 N ATOM 1976 CA LEU A 654 4.692 -25.341 -4.764 1.00 75.11 C ATOM 1977 C LEU A 654 4.793 -24.415 -5.971 1.00 4.34 C ATOM 1978 O LEU A 654 4.208 -23.335 -5.975 1.00 64.15 O ATOM 1979 CB LEU A 654 3.592 -26.389 -5.034 1.00 22.13 C ATOM 1980 CG LEU A 654 3.411 -27.606 -4.095 1.00 61.22 C ATOM 1981 CD1 LEU A 654 4.711 -28.390 -3.966 1.00 63.22 C ATOM 1982 CD2 LEU A 654 2.867 -27.235 -2.713 1.00 1.11 C ATOM 0 H LEU A 654 3.385 -24.589 -3.308 1.00 43.42 H new ATOM 0 HA LEU A 654 5.638 -25.855 -4.592 1.00 75.11 H new ATOM 0 HB2 LEU A 654 2.641 -25.857 -5.056 1.00 22.13 H new ATOM 0 HB3 LEU A 654 3.762 -26.781 -6.037 1.00 22.13 H new ATOM 0 HG LEU A 654 2.656 -28.238 -4.563 1.00 61.22 H new ATOM 0 HD11 LEU A 654 4.559 -29.240 -3.301 1.00 63.22 H new ATOM 0 HD12 LEU A 654 5.019 -28.748 -4.948 1.00 63.22 H new ATOM 0 HD13 LEU A 654 5.487 -27.743 -3.556 1.00 63.22 H new ATOM 0 HD21 LEU A 654 2.765 -28.136 -2.108 1.00 1.11 H new ATOM 0 HD22 LEU A 654 3.555 -26.545 -2.224 1.00 1.11 H new ATOM 0 HD23 LEU A 654 1.892 -26.759 -2.821 1.00 1.11 H new ATOM 1994 N GLY A 655 5.528 -24.850 -6.984 1.00 62.30 N ATOM 1995 CA GLY A 655 5.681 -24.070 -8.203 1.00 10.31 C ATOM 1996 C GLY A 655 4.653 -24.330 -9.267 1.00 11.31 C ATOM 1997 O GLY A 655 3.581 -24.874 -9.025 1.00 40.51 O ATOM 0 H GLY A 655 6.028 -25.739 -6.986 1.00 62.30 H new ATOM 0 HA2 GLY A 655 5.651 -23.012 -7.943 1.00 10.31 H new ATOM 0 HA3 GLY A 655 6.669 -24.268 -8.620 1.00 10.31 H new ATOM 2001 N GLU A 656 5.018 -23.926 -10.469 1.00 33.34 N ATOM 2002 CA GLU A 656 4.183 -24.056 -11.650 1.00 23.20 C ATOM 2003 C GLU A 656 4.234 -25.494 -12.174 1.00 55.11 C ATOM 2004 O GLU A 656 3.245 -26.015 -12.686 1.00 64.00 O ATOM 2005 CB GLU A 656 4.696 -23.092 -12.728 1.00 64.32 C ATOM 2006 CG GLU A 656 4.773 -21.616 -12.278 1.00 43.41 C ATOM 2007 CD GLU A 656 5.994 -21.294 -11.384 1.00 35.34 C ATOM 2008 OE1 GLU A 656 6.944 -22.117 -11.307 1.00 60.41 O ATOM 2009 OE2 GLU A 656 5.965 -20.247 -10.706 1.00 43.45 O ATOM 0 H GLU A 656 5.921 -23.490 -10.656 1.00 33.34 H new ATOM 0 HA GLU A 656 3.151 -23.814 -11.397 1.00 23.20 H new ATOM 0 HB2 GLU A 656 5.688 -23.415 -13.045 1.00 64.32 H new ATOM 0 HB3 GLU A 656 4.045 -23.160 -13.599 1.00 64.32 H new ATOM 0 HG2 GLU A 656 4.804 -20.979 -13.162 1.00 43.41 H new ATOM 0 HG3 GLU A 656 3.862 -21.364 -11.735 1.00 43.41 H new ATOM 2016 N HIS A 657 5.384 -26.140 -12.008 1.00 4.43 N ATOM 2017 CA HIS A 657 5.577 -27.529 -12.445 1.00 70.22 C ATOM 2018 C HIS A 657 6.170 -28.429 -11.346 1.00 14.20 C ATOM 2019 O HIS A 657 7.243 -28.983 -11.507 1.00 43.10 O ATOM 2020 CB HIS A 657 6.515 -27.560 -13.665 1.00 54.24 C ATOM 2021 CG HIS A 657 6.157 -26.569 -14.725 1.00 61.05 C ATOM 2022 ND1 HIS A 657 5.403 -26.853 -15.836 1.00 2.53 N ATOM 2023 CD2 HIS A 657 6.471 -25.248 -14.838 1.00 71.21 C ATOM 2024 CE1 HIS A 657 5.290 -25.740 -16.554 1.00 55.02 C ATOM 2025 NE2 HIS A 657 5.918 -24.729 -15.992 1.00 1.12 N ATOM 0 H HIS A 657 6.206 -25.724 -11.571 1.00 4.43 H new ATOM 0 HA HIS A 657 4.590 -27.919 -12.695 1.00 70.22 H new ATOM 0 HB2 HIS A 657 7.535 -27.370 -13.332 1.00 54.24 H new ATOM 0 HB3 HIS A 657 6.502 -28.561 -14.097 1.00 54.24 H new ATOM 0 HD2 HIS A 657 7.065 -24.689 -14.130 1.00 71.21 H new ATOM 0 HE1 HIS A 657 4.748 -25.673 -17.486 1.00 55.02 H new ATOM 0 HE2 HIS A 657 5.982 -23.770 -16.334 1.00 1.12 H new ATOM 2033 N PRO A 658 5.474 -28.598 -10.208 1.00 72.43 N ATOM 2034 CA PRO A 658 5.980 -29.439 -9.112 1.00 11.30 C ATOM 2035 C PRO A 658 5.775 -30.941 -9.356 1.00 42.03 C ATOM 2036 O PRO A 658 5.600 -31.723 -8.417 1.00 31.01 O ATOM 2037 CB PRO A 658 5.140 -28.959 -7.932 1.00 41.10 C ATOM 2038 CG PRO A 658 3.841 -28.641 -8.545 1.00 53.45 C ATOM 2039 CD PRO A 658 4.180 -27.996 -9.848 1.00 52.45 C ATOM 0 HA PRO A 658 7.057 -29.343 -8.975 1.00 11.30 H new ATOM 0 HB2 PRO A 658 5.045 -29.729 -7.167 1.00 41.10 H new ATOM 0 HB3 PRO A 658 5.583 -28.086 -7.453 1.00 41.10 H new ATOM 0 HG2 PRO A 658 3.243 -29.540 -8.693 1.00 53.45 H new ATOM 0 HG3 PRO A 658 3.259 -27.971 -7.912 1.00 53.45 H new ATOM 0 HD2 PRO A 658 3.421 -28.197 -10.604 1.00 52.45 H new ATOM 0 HD3 PRO A 658 4.255 -26.913 -9.751 1.00 52.45 H new ATOM 2047 N LYS A 659 5.732 -31.319 -10.626 1.00 33.24 N ATOM 2048 CA LYS A 659 5.468 -32.689 -11.038 1.00 53.13 C ATOM 2049 C LYS A 659 6.024 -32.906 -12.431 1.00 24.35 C ATOM 2050 O LYS A 659 5.991 -31.997 -13.247 1.00 62.22 O ATOM 2051 CB LYS A 659 3.969 -32.922 -11.057 1.00 44.14 C ATOM 2052 CG LYS A 659 3.564 -34.365 -11.381 1.00 52.54 C ATOM 2053 CD LYS A 659 2.192 -34.698 -10.838 1.00 55.01 C ATOM 2054 CE LYS A 659 1.130 -33.934 -11.540 1.00 70.05 C ATOM 2055 NZ LYS A 659 0.979 -34.350 -13.000 1.00 71.32 N ATOM 0 H LYS A 659 5.881 -30.678 -11.405 1.00 33.24 H new ATOM 0 HA LYS A 659 5.940 -33.382 -10.341 1.00 53.13 H new ATOM 0 HB2 LYS A 659 3.557 -32.650 -10.085 1.00 44.14 H new ATOM 0 HB3 LYS A 659 3.518 -32.256 -11.792 1.00 44.14 H new ATOM 0 HG2 LYS A 659 3.573 -34.511 -12.461 1.00 52.54 H new ATOM 0 HG3 LYS A 659 4.298 -35.052 -10.960 1.00 52.54 H new ATOM 0 HD2 LYS A 659 2.006 -35.766 -10.947 1.00 55.01 H new ATOM 0 HD3 LYS A 659 2.158 -34.475 -9.772 1.00 55.01 H new ATOM 0 HE2 LYS A 659 0.181 -34.079 -11.024 1.00 70.05 H new ATOM 0 HE3 LYS A 659 1.360 -32.870 -11.491 1.00 70.05 H new ATOM 0 HZ1 LYS A 659 0.080 -33.985 -13.374 1.00 71.32 H new ATOM 0 HZ2 LYS A 659 1.768 -33.961 -13.555 1.00 71.32 H new ATOM 0 HZ3 LYS A 659 0.987 -35.388 -13.068 1.00 71.32 H new ATOM 2069 N LEU A 660 6.491 -34.116 -12.697 1.00 10.13 N ATOM 2070 CA LEU A 660 7.018 -34.491 -14.004 1.00 15.54 C ATOM 2071 C LEU A 660 6.328 -35.768 -14.453 1.00 2.33 C ATOM 2072 O LEU A 660 6.344 -36.752 -13.726 1.00 1.13 O ATOM 2073 CB LEU A 660 8.536 -34.717 -13.901 1.00 71.34 C ATOM 2074 CG LEU A 660 9.244 -35.271 -15.133 1.00 2.31 C ATOM 2075 CD1 LEU A 660 8.862 -34.463 -16.356 1.00 52.03 C ATOM 2076 CD2 LEU A 660 10.770 -35.265 -14.921 1.00 21.13 C ATOM 0 H LEU A 660 6.516 -34.870 -12.011 1.00 10.13 H new ATOM 0 HA LEU A 660 6.832 -33.698 -14.729 1.00 15.54 H new ATOM 0 HB2 LEU A 660 9.002 -33.766 -13.643 1.00 71.34 H new ATOM 0 HB3 LEU A 660 8.720 -35.399 -13.071 1.00 71.34 H new ATOM 0 HG LEU A 660 8.930 -36.303 -15.291 1.00 2.31 H new ATOM 0 HD11 LEU A 660 9.372 -34.865 -17.232 1.00 52.03 H new ATOM 0 HD12 LEU A 660 7.784 -34.518 -16.507 1.00 52.03 H new ATOM 0 HD13 LEU A 660 9.155 -33.423 -16.211 1.00 52.03 H new ATOM 0 HD21 LEU A 660 11.262 -35.663 -15.808 1.00 21.13 H new ATOM 0 HD22 LEU A 660 11.109 -34.244 -14.745 1.00 21.13 H new ATOM 0 HD23 LEU A 660 11.020 -35.884 -14.059 1.00 21.13 H new ATOM 2088 N GLU A 661 5.704 -35.729 -15.621 1.00 53.03 N ATOM 2089 CA GLU A 661 5.031 -36.894 -16.203 1.00 51.40 C ATOM 2090 C GLU A 661 6.019 -37.703 -17.026 1.00 63.12 C ATOM 2091 O GLU A 661 6.653 -37.175 -17.919 1.00 23.12 O ATOM 2092 CB GLU A 661 3.894 -36.422 -17.105 1.00 54.54 C ATOM 2093 CG GLU A 661 3.174 -37.539 -17.801 1.00 2.23 C ATOM 2094 CD GLU A 661 1.807 -37.103 -18.281 1.00 73.42 C ATOM 2095 OE1 GLU A 661 1.725 -36.167 -19.103 1.00 42.23 O ATOM 2096 OE2 GLU A 661 0.806 -37.656 -17.780 1.00 1.32 O ATOM 0 H GLU A 661 5.647 -34.890 -16.198 1.00 53.03 H new ATOM 0 HA GLU A 661 4.634 -37.517 -15.401 1.00 51.40 H new ATOM 0 HB2 GLU A 661 3.179 -35.857 -16.508 1.00 54.54 H new ATOM 0 HB3 GLU A 661 4.295 -35.738 -17.853 1.00 54.54 H new ATOM 0 HG2 GLU A 661 3.766 -37.882 -18.649 1.00 2.23 H new ATOM 0 HG3 GLU A 661 3.070 -38.385 -17.122 1.00 2.23 H new ATOM 2103 N VAL A 662 6.152 -38.977 -16.705 1.00 62.21 N ATOM 2104 CA VAL A 662 7.115 -39.875 -17.334 1.00 1.42 C ATOM 2105 C VAL A 662 6.343 -40.950 -18.048 1.00 0.55 C ATOM 2106 O VAL A 662 5.390 -41.522 -17.516 1.00 22.11 O ATOM 2107 CB VAL A 662 8.026 -40.557 -16.267 1.00 63.44 C ATOM 2108 CG1 VAL A 662 9.310 -41.140 -16.817 1.00 44.53 C ATOM 2109 CG2 VAL A 662 8.184 -39.714 -14.980 1.00 33.12 C ATOM 0 H VAL A 662 5.585 -39.429 -15.987 1.00 62.21 H new ATOM 0 HA VAL A 662 7.743 -39.303 -18.017 1.00 1.42 H new ATOM 0 HB VAL A 662 7.481 -41.445 -15.947 1.00 63.44 H new ATOM 0 HG11 VAL A 662 9.880 -41.593 -16.006 1.00 44.53 H new ATOM 0 HG12 VAL A 662 9.075 -41.899 -17.563 1.00 44.53 H new ATOM 0 HG13 VAL A 662 9.901 -40.348 -17.278 1.00 44.53 H new ATOM 0 HG21 VAL A 662 8.828 -40.241 -14.277 1.00 33.12 H new ATOM 0 HG22 VAL A 662 8.630 -38.751 -15.228 1.00 33.12 H new ATOM 0 HG23 VAL A 662 7.206 -39.555 -14.527 1.00 33.12 H new ATOM 2119 N ILE A 663 6.780 -41.221 -19.258 1.00 12.42 N ATOM 2120 CA ILE A 663 6.250 -42.295 -20.064 1.00 52.14 C ATOM 2121 C ILE A 663 7.386 -43.295 -20.111 1.00 21.14 C ATOM 2122 O ILE A 663 8.536 -42.904 -20.332 1.00 64.42 O ATOM 2123 CB ILE A 663 5.913 -41.795 -21.488 1.00 74.21 C ATOM 2124 CG1 ILE A 663 4.725 -40.805 -21.438 1.00 35.32 C ATOM 2125 CG2 ILE A 663 5.668 -42.979 -22.437 1.00 74.01 C ATOM 2126 CD1 ILE A 663 3.348 -41.416 -21.780 1.00 34.21 C ATOM 0 H ILE A 663 7.524 -40.693 -19.715 1.00 12.42 H new ATOM 0 HA ILE A 663 5.327 -42.712 -19.660 1.00 52.14 H new ATOM 0 HB ILE A 663 6.766 -41.249 -21.892 1.00 74.21 H new ATOM 0 HG12 ILE A 663 4.675 -40.372 -20.439 1.00 35.32 H new ATOM 0 HG13 ILE A 663 4.924 -39.987 -22.130 1.00 35.32 H new ATOM 0 HG21 ILE A 663 5.433 -42.604 -23.433 1.00 74.01 H new ATOM 0 HG22 ILE A 663 6.564 -43.598 -22.485 1.00 74.01 H new ATOM 0 HG23 ILE A 663 4.834 -43.575 -22.067 1.00 74.01 H new ATOM 0 HD11 ILE A 663 2.582 -40.644 -21.717 1.00 34.21 H new ATOM 0 HD12 ILE A 663 3.371 -41.823 -22.791 1.00 34.21 H new ATOM 0 HD13 ILE A 663 3.118 -42.213 -21.073 1.00 34.21 H new ATOM 2138 N ILE A 664 7.079 -44.557 -19.882 1.00 21.52 N ATOM 2139 CA ILE A 664 8.063 -45.625 -19.998 1.00 54.30 C ATOM 2140 C ILE A 664 7.874 -46.177 -21.416 1.00 44.34 C ATOM 2141 O ILE A 664 6.800 -46.655 -21.778 1.00 51.32 O ATOM 2142 CB ILE A 664 7.874 -46.694 -18.888 1.00 52.21 C ATOM 2143 CG1 ILE A 664 8.079 -46.026 -17.503 1.00 65.04 C ATOM 2144 CG2 ILE A 664 8.884 -47.859 -19.074 1.00 15.43 C ATOM 2145 CD1 ILE A 664 7.548 -46.806 -16.305 1.00 4.41 C ATOM 0 H ILE A 664 6.148 -44.874 -19.612 1.00 21.52 H new ATOM 0 HA ILE A 664 9.085 -45.275 -19.853 1.00 54.30 H new ATOM 0 HB ILE A 664 6.867 -47.105 -18.953 1.00 52.21 H new ATOM 0 HG12 ILE A 664 9.146 -45.855 -17.357 1.00 65.04 H new ATOM 0 HG13 ILE A 664 7.598 -45.048 -17.518 1.00 65.04 H new ATOM 0 HG21 ILE A 664 8.736 -48.598 -18.287 1.00 15.43 H new ATOM 0 HG22 ILE A 664 8.725 -48.327 -20.045 1.00 15.43 H new ATOM 0 HG23 ILE A 664 9.901 -47.471 -19.021 1.00 15.43 H new ATOM 0 HD11 ILE A 664 7.745 -46.247 -15.390 1.00 4.41 H new ATOM 0 HD12 ILE A 664 6.474 -46.955 -16.415 1.00 4.41 H new ATOM 0 HD13 ILE A 664 8.045 -47.775 -16.252 1.00 4.41 H new