USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 -139:sc= 0.427 USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 86:sc= 0.839 USER MOD Single : A 540 HIS : no HD1:sc= -0.052 X(o=-0.052,f=-0.0069) USER MOD Single : A 542 SER OG : rot 46:sc= 1.29 USER MOD Single : A 544 SER OG : rot -21:sc= 0.385 USER MOD Single : A 548 MET CE :methyl 141:sc= -0.831 (180deg=-3.8!) USER MOD Single : A 551 LYS NZ :NH3+ 143:sc= 0.989 (180deg=0.0913) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0251 USER MOD Single : A 561 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 568 THR OG1 : rot 70:sc= 0.965 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 177:sc= 0.477 (180deg=0.465) USER MOD Single : A 591 ASN :FLIP amide:sc= -0.0194 F(o=-1.7!,f=-0.019) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.21) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ 163:sc= -0.214 (180deg=-0.354) USER MOD Single : A 613 ASN :FLIP amide:sc= -0.68 F(o=-2.6!,f=-0.68) USER MOD Single : A 622 LYS NZ :NH3+ -112:sc= 0.669 (180deg=-0.075) USER MOD Single : A 624 MET CE :methyl -174:sc= -0.0275 (180deg=-0.0648) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 657 HIS : no HE2:sc= -1.39 X(o=-1.4,f=-1.7!) USER MOD Single : A 659 LYS NZ :NH3+ 158:sc= 0.164 (180deg=-0.169) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.797 -18.153 1.804 1.00 55.34 N ATOM 19 CA ALA A 529 11.456 -19.397 1.408 1.00 11.21 C ATOM 20 C ALA A 529 11.156 -19.713 -0.076 1.00 3.11 C ATOM 21 O ALA A 529 10.143 -19.278 -0.621 1.00 15.22 O ATOM 22 CB ALA A 529 10.969 -20.525 2.289 1.00 52.15 C ATOM 0 HA ALA A 529 12.534 -19.286 1.526 1.00 11.21 H new ATOM 0 HB1 ALA A 529 11.459 -21.453 1.996 1.00 52.15 H new ATOM 0 HB2 ALA A 529 11.206 -20.303 3.329 1.00 52.15 H new ATOM 0 HB3 ALA A 529 9.890 -20.633 2.178 1.00 52.15 H new ATOM 28 N GLY A 530 12.045 -20.458 -0.726 1.00 55.34 N ATOM 29 CA GLY A 530 11.900 -20.713 -2.149 1.00 5.34 C ATOM 30 C GLY A 530 10.717 -21.556 -2.579 1.00 41.13 C ATOM 31 O GLY A 530 10.282 -22.456 -1.883 1.00 73.45 O ATOM 0 H GLY A 530 12.862 -20.889 -0.294 1.00 55.34 H new ATOM 0 HA2 GLY A 530 11.836 -19.753 -2.661 1.00 5.34 H new ATOM 0 HA3 GLY A 530 12.809 -21.201 -2.500 1.00 5.34 H new ATOM 35 N ILE A 531 10.248 -21.281 -3.787 1.00 5.33 N ATOM 36 CA ILE A 531 9.230 -22.084 -4.451 1.00 30.14 C ATOM 37 C ILE A 531 9.964 -23.270 -5.048 1.00 70.43 C ATOM 38 O ILE A 531 11.060 -23.089 -5.577 1.00 74.11 O ATOM 39 CB ILE A 531 8.536 -21.265 -5.594 1.00 32.35 C ATOM 40 CG1 ILE A 531 7.379 -20.438 -5.018 1.00 33.21 C ATOM 41 CG2 ILE A 531 7.965 -22.169 -6.672 1.00 40.40 C ATOM 42 CD1 ILE A 531 7.769 -19.103 -4.378 1.00 64.33 C ATOM 0 H ILE A 531 10.567 -20.486 -4.340 1.00 5.33 H new ATOM 0 HA ILE A 531 8.453 -22.390 -3.751 1.00 30.14 H new ATOM 0 HB ILE A 531 9.300 -20.622 -6.032 1.00 32.35 H new ATOM 0 HG12 ILE A 531 6.665 -20.241 -5.817 1.00 33.21 H new ATOM 0 HG13 ILE A 531 6.863 -21.041 -4.271 1.00 33.21 H new ATOM 0 HG21 ILE A 531 7.493 -21.561 -7.444 1.00 40.40 H new ATOM 0 HG22 ILE A 531 8.767 -22.759 -7.114 1.00 40.40 H new ATOM 0 HG23 ILE A 531 7.224 -22.836 -6.232 1.00 40.40 H new ATOM 0 HD11 ILE A 531 6.875 -18.603 -4.005 1.00 64.33 H new ATOM 0 HD12 ILE A 531 8.456 -19.283 -3.551 1.00 64.33 H new ATOM 0 HD13 ILE A 531 8.254 -18.471 -5.122 1.00 64.33 H new ATOM 54 N PHE A 532 9.363 -24.452 -4.986 1.00 31.13 N ATOM 55 CA PHE A 532 9.956 -25.666 -5.555 1.00 40.13 C ATOM 56 C PHE A 532 9.133 -26.172 -6.722 1.00 12.40 C ATOM 57 O PHE A 532 7.903 -26.126 -6.702 1.00 35.23 O ATOM 58 CB PHE A 532 10.055 -26.739 -4.491 1.00 32.21 C ATOM 59 CG PHE A 532 10.927 -26.340 -3.343 1.00 2.13 C ATOM 60 CD1 PHE A 532 10.388 -25.661 -2.240 1.00 1.34 C ATOM 61 CD2 PHE A 532 12.309 -26.601 -3.376 1.00 1.34 C ATOM 62 CE1 PHE A 532 11.215 -25.238 -1.182 1.00 0.54 C ATOM 63 CE2 PHE A 532 13.143 -26.182 -2.316 1.00 62.40 C ATOM 64 CZ PHE A 532 12.596 -25.501 -1.217 1.00 31.35 C ATOM 0 H PHE A 532 8.456 -24.601 -4.544 1.00 31.13 H new ATOM 0 HA PHE A 532 10.955 -25.423 -5.918 1.00 40.13 H new ATOM 0 HB2 PHE A 532 9.056 -26.969 -4.120 1.00 32.21 H new ATOM 0 HB3 PHE A 532 10.447 -27.652 -4.938 1.00 32.21 H new ATOM 0 HD1 PHE A 532 9.327 -25.461 -2.202 1.00 1.34 H new ATOM 0 HD2 PHE A 532 12.735 -27.126 -4.218 1.00 1.34 H new ATOM 0 HE1 PHE A 532 10.788 -24.711 -0.342 1.00 0.54 H new ATOM 0 HE2 PHE A 532 14.203 -26.386 -2.351 1.00 62.40 H new ATOM 0 HZ PHE A 532 13.231 -25.181 -0.404 1.00 31.35 H new ATOM 74 N THR A 533 9.827 -26.607 -7.755 1.00 53.30 N ATOM 75 CA THR A 533 9.206 -27.003 -9.011 1.00 32.54 C ATOM 76 C THR A 533 10.229 -27.927 -9.679 1.00 0.31 C ATOM 77 O THR A 533 11.336 -28.052 -9.172 1.00 13.04 O ATOM 78 CB THR A 533 8.887 -25.731 -9.858 1.00 4.24 C ATOM 79 OG1 THR A 533 8.096 -26.072 -10.998 1.00 14.02 O ATOM 80 CG2 THR A 533 10.135 -25.046 -10.320 1.00 64.44 C ATOM 0 H THR A 533 10.843 -26.697 -7.750 1.00 53.30 H new ATOM 0 HA THR A 533 8.254 -27.520 -8.887 1.00 32.54 H new ATOM 0 HB THR A 533 8.333 -25.049 -9.213 1.00 4.24 H new ATOM 0 HG1 THR A 533 8.408 -25.564 -11.776 1.00 14.02 H new ATOM 0 HG21 THR A 533 9.871 -24.166 -10.906 1.00 64.44 H new ATOM 0 HG22 THR A 533 10.725 -24.743 -9.455 1.00 64.44 H new ATOM 0 HG23 THR A 533 10.719 -25.730 -10.936 1.00 64.44 H new ATOM 88 N PHE A 534 9.876 -28.599 -10.760 1.00 31.41 N ATOM 89 CA PHE A 534 10.799 -29.508 -11.447 1.00 0.14 C ATOM 90 C PHE A 534 11.282 -28.864 -12.731 1.00 12.10 C ATOM 91 O PHE A 534 10.789 -27.813 -13.129 1.00 2.22 O ATOM 92 CB PHE A 534 10.093 -30.824 -11.778 1.00 3.13 C ATOM 93 CG PHE A 534 9.834 -31.719 -10.591 1.00 15.22 C ATOM 94 CD1 PHE A 534 10.386 -31.496 -9.313 1.00 0.34 C ATOM 95 CD2 PHE A 534 9.024 -32.833 -10.781 1.00 74.31 C ATOM 96 CE1 PHE A 534 10.082 -32.392 -8.244 1.00 14.31 C ATOM 97 CE2 PHE A 534 8.732 -33.729 -9.750 1.00 60.41 C ATOM 98 CZ PHE A 534 9.236 -33.514 -8.481 1.00 42.11 C ATOM 0 H PHE A 534 8.953 -28.537 -11.189 1.00 31.41 H new ATOM 0 HA PHE A 534 11.647 -29.711 -10.793 1.00 0.14 H new ATOM 0 HB2 PHE A 534 9.142 -30.598 -12.260 1.00 3.13 H new ATOM 0 HB3 PHE A 534 10.696 -31.371 -12.503 1.00 3.13 H new ATOM 0 HD1 PHE A 534 11.036 -30.651 -9.143 1.00 0.34 H new ATOM 0 HD2 PHE A 534 8.606 -33.012 -11.761 1.00 74.31 H new ATOM 0 HE1 PHE A 534 10.492 -32.220 -7.260 1.00 14.31 H new ATOM 0 HE2 PHE A 534 8.111 -34.591 -9.945 1.00 60.41 H new ATOM 0 HZ PHE A 534 8.991 -34.191 -7.676 1.00 42.11 H new ATOM 108 N GLU A 535 12.241 -29.513 -13.369 1.00 14.31 N ATOM 109 CA GLU A 535 12.801 -29.061 -14.644 1.00 1.30 C ATOM 110 C GLU A 535 11.793 -28.990 -15.780 1.00 20.54 C ATOM 111 O GLU A 535 11.583 -27.941 -16.377 1.00 64.13 O ATOM 112 CB GLU A 535 13.876 -30.046 -15.077 1.00 64.15 C ATOM 113 CG GLU A 535 15.198 -29.861 -14.403 1.00 45.12 C ATOM 114 CD GLU A 535 16.237 -30.842 -14.929 1.00 75.24 C ATOM 115 OE1 GLU A 535 15.871 -32.018 -15.165 1.00 11.32 O ATOM 116 OE2 GLU A 535 17.426 -30.477 -15.000 1.00 50.51 O ATOM 0 H GLU A 535 12.660 -30.375 -13.020 1.00 14.31 H new ATOM 0 HA GLU A 535 13.176 -28.053 -14.466 1.00 1.30 H new ATOM 0 HB2 GLU A 535 13.522 -31.058 -14.882 1.00 64.15 H new ATOM 0 HB3 GLU A 535 14.017 -29.959 -16.154 1.00 64.15 H new ATOM 0 HG2 GLU A 535 15.548 -28.841 -14.560 1.00 45.12 H new ATOM 0 HG3 GLU A 535 15.081 -29.996 -13.328 1.00 45.12 H new ATOM 123 N CYS A 536 11.220 -30.136 -16.111 1.00 51.11 N ATOM 124 CA CYS A 536 10.351 -30.262 -17.268 1.00 33.22 C ATOM 125 C CYS A 536 8.944 -30.585 -16.812 1.00 22.55 C ATOM 126 O CYS A 536 8.660 -30.651 -15.612 1.00 1.30 O ATOM 127 CB CYS A 536 10.881 -31.373 -18.184 1.00 11.53 C ATOM 128 SG CYS A 536 12.567 -31.066 -18.764 1.00 1.53 S ATOM 0 H CYS A 536 11.344 -31.002 -15.587 1.00 51.11 H new ATOM 0 HA CYS A 536 10.335 -29.323 -17.821 1.00 33.22 H new ATOM 0 HB2 CYS A 536 10.854 -32.322 -17.648 1.00 11.53 H new ATOM 0 HB3 CYS A 536 10.219 -31.474 -19.044 1.00 11.53 H new ATOM 0 HG CYS A 536 12.948 -32.045 -19.529 1.00 1.53 H new ATOM 134 N ASP A 537 8.082 -30.797 -17.784 1.00 14.35 N ATOM 135 CA ASP A 537 6.698 -31.184 -17.566 1.00 2.01 C ATOM 136 C ASP A 537 6.459 -32.627 -17.996 1.00 15.10 C ATOM 137 O ASP A 537 5.618 -33.313 -17.434 1.00 5.13 O ATOM 138 CB ASP A 537 5.803 -30.293 -18.418 1.00 61.11 C ATOM 139 CG ASP A 537 6.077 -30.451 -19.925 1.00 3.54 C ATOM 140 OD1 ASP A 537 7.263 -30.352 -20.344 1.00 40.44 O ATOM 141 OD2 ASP A 537 5.130 -30.750 -20.670 1.00 11.42 O ATOM 0 H ASP A 537 8.326 -30.704 -18.770 1.00 14.35 H new ATOM 0 HA ASP A 537 6.475 -31.082 -16.504 1.00 2.01 H new ATOM 0 HB2 ASP A 537 4.759 -30.532 -18.215 1.00 61.11 H new ATOM 0 HB3 ASP A 537 5.954 -29.252 -18.132 1.00 61.11 H new ATOM 146 N THR A 538 7.209 -33.066 -18.996 1.00 63.14 N ATOM 147 CA THR A 538 7.051 -34.361 -19.623 1.00 64.15 C ATOM 148 C THR A 538 8.475 -34.863 -19.851 1.00 60.35 C ATOM 149 O THR A 538 9.365 -34.105 -20.265 1.00 54.01 O ATOM 150 CB THR A 538 6.325 -34.236 -20.987 1.00 40.21 C ATOM 151 OG1 THR A 538 5.061 -33.591 -20.802 1.00 0.11 O ATOM 152 CG2 THR A 538 6.059 -35.605 -21.602 1.00 10.02 C ATOM 0 H THR A 538 7.964 -32.513 -19.402 1.00 63.14 H new ATOM 0 HA THR A 538 6.456 -35.032 -19.004 1.00 64.15 H new ATOM 0 HB THR A 538 6.970 -33.658 -21.649 1.00 40.21 H new ATOM 0 HG1 THR A 538 5.182 -32.619 -20.832 1.00 0.11 H new ATOM 0 HG21 THR A 538 5.549 -35.482 -22.557 1.00 10.02 H new ATOM 0 HG22 THR A 538 7.005 -36.123 -21.760 1.00 10.02 H new ATOM 0 HG23 THR A 538 5.433 -36.191 -20.929 1.00 10.02 H new ATOM 160 N ILE A 539 8.673 -36.123 -19.538 1.00 30.34 N ATOM 161 CA ILE A 539 9.942 -36.835 -19.660 1.00 4.20 C ATOM 162 C ILE A 539 9.633 -38.230 -20.218 1.00 71.21 C ATOM 163 O ILE A 539 8.511 -38.715 -20.108 1.00 1.12 O ATOM 164 CB ILE A 539 10.658 -36.913 -18.256 1.00 65.10 C ATOM 165 CG1 ILE A 539 12.110 -37.396 -18.378 1.00 31.42 C ATOM 166 CG2 ILE A 539 9.843 -37.762 -17.233 1.00 73.42 C ATOM 167 CD1 ILE A 539 12.352 -38.812 -17.897 1.00 42.02 C ATOM 0 H ILE A 539 7.925 -36.714 -19.174 1.00 30.34 H new ATOM 0 HA ILE A 539 10.623 -36.315 -20.333 1.00 4.20 H new ATOM 0 HB ILE A 539 10.696 -35.897 -17.863 1.00 65.10 H new ATOM 0 HG12 ILE A 539 12.415 -37.325 -19.422 1.00 31.42 H new ATOM 0 HG13 ILE A 539 12.751 -36.721 -17.812 1.00 31.42 H new ATOM 0 HG21 ILE A 539 10.372 -37.790 -16.280 1.00 73.42 H new ATOM 0 HG22 ILE A 539 8.860 -37.314 -17.090 1.00 73.42 H new ATOM 0 HG23 ILE A 539 9.727 -38.777 -17.613 1.00 73.42 H new ATOM 0 HD11 ILE A 539 13.405 -39.064 -18.022 1.00 42.02 H new ATOM 0 HD12 ILE A 539 12.083 -38.889 -16.843 1.00 42.02 H new ATOM 0 HD13 ILE A 539 11.742 -39.503 -18.479 1.00 42.02 H new ATOM 179 N HIS A 540 10.625 -38.874 -20.806 1.00 64.41 N ATOM 180 CA HIS A 540 10.503 -40.250 -21.280 1.00 62.21 C ATOM 181 C HIS A 540 11.686 -41.043 -20.753 1.00 71.42 C ATOM 182 O HIS A 540 12.837 -40.639 -20.946 1.00 0.23 O ATOM 183 CB HIS A 540 10.497 -40.315 -22.813 1.00 22.21 C ATOM 184 CG HIS A 540 9.227 -39.821 -23.434 1.00 72.53 C ATOM 185 ND1 HIS A 540 8.426 -40.599 -24.276 1.00 35.35 N ATOM 186 CD2 HIS A 540 8.579 -38.627 -23.357 1.00 11.13 C ATOM 187 CE1 HIS A 540 7.369 -39.892 -24.641 1.00 11.35 C ATOM 188 NE2 HIS A 540 7.440 -38.704 -24.100 1.00 23.22 N ATOM 0 H HIS A 540 11.543 -38.460 -20.971 1.00 64.41 H new ATOM 0 HA HIS A 540 9.561 -40.664 -20.921 1.00 62.21 H new ATOM 0 HB2 HIS A 540 11.331 -39.726 -23.196 1.00 22.21 H new ATOM 0 HB3 HIS A 540 10.666 -41.346 -23.124 1.00 22.21 H new ATOM 0 HD2 HIS A 540 8.912 -37.763 -22.800 1.00 11.13 H new ATOM 0 HE1 HIS A 540 6.574 -40.241 -25.284 1.00 11.35 H new ATOM 0 HE2 HIS A 540 6.755 -37.957 -24.215 1.00 23.22 H new ATOM 196 N VAL A 541 11.404 -42.162 -20.109 1.00 71.32 N ATOM 197 CA VAL A 541 12.451 -43.116 -19.713 1.00 4.24 C ATOM 198 C VAL A 541 12.168 -44.458 -20.363 1.00 71.42 C ATOM 199 O VAL A 541 11.116 -44.664 -20.943 1.00 41.21 O ATOM 200 CB VAL A 541 12.555 -43.337 -18.161 1.00 53.41 C ATOM 201 CG1 VAL A 541 12.906 -42.061 -17.457 1.00 51.11 C ATOM 202 CG2 VAL A 541 11.254 -43.907 -17.577 1.00 3.10 C ATOM 0 H VAL A 541 10.460 -42.442 -19.844 1.00 71.32 H new ATOM 0 HA VAL A 541 13.398 -42.688 -20.043 1.00 4.24 H new ATOM 0 HB VAL A 541 13.351 -44.064 -17.999 1.00 53.41 H new ATOM 0 HG11 VAL A 541 12.971 -42.243 -16.384 1.00 51.11 H new ATOM 0 HG12 VAL A 541 13.866 -41.696 -17.822 1.00 51.11 H new ATOM 0 HG13 VAL A 541 12.136 -41.314 -17.652 1.00 51.11 H new ATOM 0 HG21 VAL A 541 11.368 -44.045 -16.502 1.00 3.10 H new ATOM 0 HG22 VAL A 541 10.435 -43.214 -17.769 1.00 3.10 H new ATOM 0 HG23 VAL A 541 11.035 -44.867 -18.045 1.00 3.10 H new ATOM 212 N SER A 542 13.101 -45.374 -20.192 1.00 23.41 N ATOM 213 CA SER A 542 12.967 -46.764 -20.611 1.00 43.03 C ATOM 214 C SER A 542 13.191 -47.527 -19.328 1.00 13.32 C ATOM 215 O SER A 542 13.875 -47.026 -18.460 1.00 22.13 O ATOM 216 CB SER A 542 14.060 -47.101 -21.631 1.00 22.33 C ATOM 217 OG SER A 542 14.296 -48.497 -21.729 1.00 2.21 O ATOM 0 H SER A 542 13.997 -45.172 -19.748 1.00 23.41 H new ATOM 0 HA SER A 542 12.012 -46.992 -21.084 1.00 43.03 H new ATOM 0 HB2 SER A 542 13.773 -46.714 -22.609 1.00 22.33 H new ATOM 0 HB3 SER A 542 14.985 -46.598 -21.348 1.00 22.33 H new ATOM 0 HG SER A 542 13.440 -48.971 -21.779 1.00 2.21 H new ATOM 223 N GLU A 543 12.659 -48.728 -19.210 1.00 70.32 N ATOM 224 CA GLU A 543 12.892 -49.590 -18.044 1.00 31.44 C ATOM 225 C GLU A 543 14.385 -49.842 -17.849 1.00 45.34 C ATOM 226 O GLU A 543 14.878 -49.936 -16.724 1.00 62.11 O ATOM 227 CB GLU A 543 12.185 -50.954 -18.207 1.00 3.42 C ATOM 228 CG GLU A 543 11.464 -51.183 -19.555 1.00 62.01 C ATOM 229 CD GLU A 543 12.403 -51.103 -20.762 1.00 64.13 C ATOM 230 OE1 GLU A 543 13.442 -51.790 -20.780 1.00 0.22 O ATOM 231 OE2 GLU A 543 12.182 -50.200 -21.606 1.00 75.22 O ATOM 0 H GLU A 543 12.051 -49.144 -19.915 1.00 70.32 H new ATOM 0 HA GLU A 543 12.485 -49.071 -17.176 1.00 31.44 H new ATOM 0 HB2 GLU A 543 12.925 -51.743 -18.074 1.00 3.42 H new ATOM 0 HB3 GLU A 543 11.456 -51.062 -17.404 1.00 3.42 H new ATOM 0 HG2 GLU A 543 10.983 -52.161 -19.541 1.00 62.01 H new ATOM 0 HG3 GLU A 543 10.674 -50.441 -19.668 1.00 62.01 H new ATOM 238 N SER A 544 15.105 -49.884 -18.961 1.00 1.14 N ATOM 239 CA SER A 544 16.543 -50.156 -18.981 1.00 12.13 C ATOM 240 C SER A 544 17.360 -49.077 -18.278 1.00 5.34 C ATOM 241 O SER A 544 18.552 -49.260 -18.021 1.00 63.25 O ATOM 242 CB SER A 544 17.019 -50.284 -20.430 1.00 55.30 C ATOM 243 OG SER A 544 18.403 -50.598 -20.486 1.00 12.52 O ATOM 0 H SER A 544 14.707 -49.729 -19.887 1.00 1.14 H new ATOM 0 HA SER A 544 16.699 -51.088 -18.438 1.00 12.13 H new ATOM 0 HB2 SER A 544 16.446 -51.060 -20.937 1.00 55.30 H new ATOM 0 HB3 SER A 544 16.833 -49.351 -20.961 1.00 55.30 H new ATOM 0 HG SER A 544 18.830 -50.345 -19.641 1.00 12.52 H new ATOM 249 N ILE A 545 16.733 -47.956 -17.951 1.00 53.52 N ATOM 250 CA ILE A 545 17.405 -46.901 -17.212 1.00 10.24 C ATOM 251 C ILE A 545 17.674 -47.361 -15.773 1.00 64.24 C ATOM 252 O ILE A 545 18.595 -46.866 -15.112 1.00 53.15 O ATOM 253 CB ILE A 545 16.545 -45.610 -17.197 1.00 73.11 C ATOM 254 CG1 ILE A 545 17.440 -44.406 -16.889 1.00 41.04 C ATOM 255 CG2 ILE A 545 15.348 -45.742 -16.204 1.00 22.13 C ATOM 256 CD1 ILE A 545 16.690 -43.148 -16.584 1.00 75.45 C ATOM 0 H ILE A 545 15.761 -47.755 -18.186 1.00 53.52 H new ATOM 0 HA ILE A 545 18.352 -46.683 -17.706 1.00 10.24 H new ATOM 0 HB ILE A 545 16.103 -45.455 -18.181 1.00 73.11 H new ATOM 0 HG12 ILE A 545 18.079 -44.650 -16.040 1.00 41.04 H new ATOM 0 HG13 ILE A 545 18.096 -44.227 -17.741 1.00 41.04 H new ATOM 0 HG21 ILE A 545 14.763 -44.822 -16.215 1.00 22.13 H new ATOM 0 HG22 ILE A 545 14.716 -46.577 -16.505 1.00 22.13 H new ATOM 0 HG23 ILE A 545 15.728 -45.919 -15.198 1.00 22.13 H new ATOM 0 HD11 ILE A 545 17.397 -42.344 -16.377 1.00 75.45 H new ATOM 0 HD12 ILE A 545 16.072 -42.877 -17.440 1.00 75.45 H new ATOM 0 HD13 ILE A 545 16.054 -43.305 -15.713 1.00 75.45 H new ATOM 268 N GLY A 546 16.860 -48.283 -15.272 1.00 72.25 N ATOM 269 CA GLY A 546 17.012 -48.738 -13.908 1.00 61.34 C ATOM 270 C GLY A 546 16.318 -47.840 -12.922 1.00 52.43 C ATOM 271 O GLY A 546 15.394 -48.236 -12.220 1.00 5.12 O ATOM 0 H GLY A 546 16.098 -48.722 -15.788 1.00 72.25 H new ATOM 0 HA2 GLY A 546 16.613 -49.748 -13.819 1.00 61.34 H new ATOM 0 HA3 GLY A 546 18.073 -48.792 -13.662 1.00 61.34 H new ATOM 275 N VAL A 547 16.809 -46.617 -12.839 1.00 71.40 N ATOM 276 CA VAL A 547 16.314 -45.647 -11.881 1.00 32.44 C ATOM 277 C VAL A 547 16.140 -44.296 -12.567 1.00 24.14 C ATOM 278 O VAL A 547 17.102 -43.690 -13.041 1.00 23.24 O ATOM 279 CB VAL A 547 17.300 -45.528 -10.692 1.00 13.44 C ATOM 280 CG1 VAL A 547 16.829 -44.473 -9.704 1.00 62.20 C ATOM 281 CG2 VAL A 547 17.450 -46.879 -9.956 1.00 50.14 C ATOM 0 H VAL A 547 17.561 -46.269 -13.433 1.00 71.40 H new ATOM 0 HA VAL A 547 15.348 -45.976 -11.498 1.00 32.44 H new ATOM 0 HB VAL A 547 18.267 -45.235 -11.100 1.00 13.44 H new ATOM 0 HG11 VAL A 547 17.537 -44.407 -8.878 1.00 62.20 H new ATOM 0 HG12 VAL A 547 16.765 -43.507 -10.206 1.00 62.20 H new ATOM 0 HG13 VAL A 547 15.847 -44.747 -9.319 1.00 62.20 H new ATOM 0 HG21 VAL A 547 18.148 -46.766 -9.126 1.00 50.14 H new ATOM 0 HG22 VAL A 547 16.479 -47.195 -9.573 1.00 50.14 H new ATOM 0 HG23 VAL A 547 17.829 -47.631 -10.649 1.00 50.14 H new ATOM 291 N MET A 548 14.903 -43.836 -12.625 1.00 34.24 N ATOM 292 CA MET A 548 14.570 -42.546 -13.210 1.00 70.24 C ATOM 293 C MET A 548 14.912 -41.437 -12.225 1.00 24.24 C ATOM 294 O MET A 548 14.941 -41.663 -11.012 1.00 45.43 O ATOM 295 CB MET A 548 13.088 -42.501 -13.592 1.00 42.20 C ATOM 296 CG MET A 548 12.148 -42.106 -12.450 1.00 24.12 C ATOM 297 SD MET A 548 11.952 -40.312 -12.226 1.00 33.40 S ATOM 298 CE MET A 548 11.490 -39.769 -13.887 1.00 72.52 C ATOM 0 H MET A 548 14.097 -44.348 -12.267 1.00 34.24 H new ATOM 0 HA MET A 548 15.154 -42.400 -14.118 1.00 70.24 H new ATOM 0 HB2 MET A 548 12.959 -41.795 -14.412 1.00 42.20 H new ATOM 0 HB3 MET A 548 12.793 -43.481 -13.966 1.00 42.20 H new ATOM 0 HG2 MET A 548 11.168 -42.546 -12.633 1.00 24.12 H new ATOM 0 HG3 MET A 548 12.522 -42.537 -11.522 1.00 24.12 H new ATOM 0 HE1 MET A 548 10.729 -38.992 -13.817 1.00 72.52 H new ATOM 0 HE2 MET A 548 12.368 -39.372 -14.397 1.00 72.52 H new ATOM 0 HE3 MET A 548 11.094 -40.615 -14.449 1.00 72.52 H new ATOM 308 N GLU A 549 15.188 -40.249 -12.742 1.00 12.32 N ATOM 309 CA GLU A 549 15.454 -39.089 -11.899 1.00 34.33 C ATOM 310 C GLU A 549 14.788 -37.837 -12.421 1.00 54.02 C ATOM 311 O GLU A 549 14.798 -37.566 -13.621 1.00 74.00 O ATOM 312 CB GLU A 549 16.956 -38.803 -11.803 1.00 51.02 C ATOM 313 CG GLU A 549 17.494 -38.676 -10.419 1.00 33.51 C ATOM 314 CD GLU A 549 19.000 -38.427 -10.425 1.00 52.43 C ATOM 315 OE1 GLU A 549 19.497 -37.777 -11.377 1.00 55.31 O ATOM 316 OE2 GLU A 549 19.688 -38.848 -9.463 1.00 53.54 O ATOM 0 H GLU A 549 15.234 -40.061 -13.743 1.00 12.32 H new ATOM 0 HA GLU A 549 15.047 -39.339 -10.919 1.00 34.33 H new ATOM 0 HB2 GLU A 549 17.494 -39.602 -12.312 1.00 51.02 H new ATOM 0 HB3 GLU A 549 17.169 -37.881 -12.344 1.00 51.02 H new ATOM 0 HG2 GLU A 549 16.991 -37.857 -9.906 1.00 33.51 H new ATOM 0 HG3 GLU A 549 17.277 -39.585 -9.858 1.00 33.51 H new ATOM 323 N VAL A 550 14.307 -37.024 -11.496 1.00 15.02 N ATOM 324 CA VAL A 550 13.845 -35.674 -11.813 1.00 32.21 C ATOM 325 C VAL A 550 14.757 -34.777 -11.029 1.00 22.45 C ATOM 326 O VAL A 550 15.131 -35.104 -9.902 1.00 70.14 O ATOM 327 CB VAL A 550 12.341 -35.421 -11.428 1.00 24.15 C ATOM 328 CG1 VAL A 550 11.566 -36.686 -11.572 1.00 53.12 C ATOM 329 CG2 VAL A 550 12.175 -34.868 -10.007 1.00 2.22 C ATOM 0 H VAL A 550 14.224 -37.274 -10.511 1.00 15.02 H new ATOM 0 HA VAL A 550 13.880 -35.494 -12.887 1.00 32.21 H new ATOM 0 HB VAL A 550 11.958 -34.663 -12.111 1.00 24.15 H new ATOM 0 HG11 VAL A 550 10.525 -36.507 -11.304 1.00 53.12 H new ATOM 0 HG12 VAL A 550 11.621 -37.031 -12.604 1.00 53.12 H new ATOM 0 HG13 VAL A 550 11.985 -37.446 -10.912 1.00 53.12 H new ATOM 0 HG21 VAL A 550 11.116 -34.714 -9.798 1.00 2.22 H new ATOM 0 HG22 VAL A 550 12.587 -35.578 -9.290 1.00 2.22 H new ATOM 0 HG23 VAL A 550 12.704 -33.919 -9.922 1.00 2.22 H new ATOM 339 N LYS A 551 15.134 -33.658 -11.608 1.00 53.01 N ATOM 340 CA LYS A 551 15.926 -32.674 -10.886 1.00 52.01 C ATOM 341 C LYS A 551 14.904 -31.713 -10.324 1.00 20.32 C ATOM 342 O LYS A 551 13.946 -31.323 -11.003 1.00 21.25 O ATOM 343 CB LYS A 551 16.919 -31.957 -11.798 1.00 2.12 C ATOM 344 CG LYS A 551 18.239 -32.711 -12.092 1.00 42.35 C ATOM 345 CD LYS A 551 18.038 -34.034 -12.856 1.00 11.12 C ATOM 346 CE LYS A 551 19.370 -34.706 -13.156 1.00 14.44 C ATOM 347 NZ LYS A 551 19.173 -36.098 -13.693 1.00 41.42 N ATOM 0 H LYS A 551 14.909 -33.404 -12.570 1.00 53.01 H new ATOM 0 HA LYS A 551 16.539 -33.135 -10.111 1.00 52.01 H new ATOM 0 HB2 LYS A 551 16.425 -31.748 -12.747 1.00 2.12 H new ATOM 0 HB3 LYS A 551 17.166 -30.995 -11.348 1.00 2.12 H new ATOM 0 HG2 LYS A 551 18.896 -32.063 -12.672 1.00 42.35 H new ATOM 0 HG3 LYS A 551 18.746 -32.919 -11.150 1.00 42.35 H new ATOM 0 HD2 LYS A 551 17.414 -34.706 -12.267 1.00 11.12 H new ATOM 0 HD3 LYS A 551 17.507 -33.841 -13.788 1.00 11.12 H new ATOM 0 HE2 LYS A 551 19.925 -34.110 -13.880 1.00 14.44 H new ATOM 0 HE3 LYS A 551 19.972 -34.746 -12.248 1.00 14.44 H new ATOM 0 HZ1 LYS A 551 19.888 -36.293 -14.423 1.00 41.42 H new ATOM 0 HZ2 LYS A 551 19.272 -36.786 -12.919 1.00 41.42 H new ATOM 0 HZ3 LYS A 551 18.223 -36.179 -14.109 1.00 41.42 H new ATOM 361 N VAL A 552 15.077 -31.394 -9.061 1.00 41.33 N ATOM 362 CA VAL A 552 14.152 -30.545 -8.334 1.00 60.03 C ATOM 363 C VAL A 552 14.804 -29.189 -8.214 1.00 3.21 C ATOM 364 O VAL A 552 15.982 -29.084 -7.853 1.00 54.05 O ATOM 365 CB VAL A 552 13.850 -31.088 -6.929 1.00 34.31 C ATOM 366 CG1 VAL A 552 12.656 -30.312 -6.320 1.00 21.41 C ATOM 367 CG2 VAL A 552 13.542 -32.597 -6.977 1.00 73.14 C ATOM 0 H VAL A 552 15.868 -31.717 -8.503 1.00 41.33 H new ATOM 0 HA VAL A 552 13.204 -30.501 -8.870 1.00 60.03 H new ATOM 0 HB VAL A 552 14.730 -30.946 -6.301 1.00 34.31 H new ATOM 0 HG11 VAL A 552 12.442 -30.697 -5.323 1.00 21.41 H new ATOM 0 HG12 VAL A 552 12.906 -29.253 -6.254 1.00 21.41 H new ATOM 0 HG13 VAL A 552 11.778 -30.438 -6.954 1.00 21.41 H new ATOM 0 HG21 VAL A 552 13.332 -32.958 -5.970 1.00 73.14 H new ATOM 0 HG22 VAL A 552 12.675 -32.771 -7.614 1.00 73.14 H new ATOM 0 HG23 VAL A 552 14.402 -33.131 -7.381 1.00 73.14 H new ATOM 377 N LEU A 553 14.059 -28.168 -8.589 1.00 53.31 N ATOM 378 CA LEU A 553 14.577 -26.820 -8.714 1.00 23.23 C ATOM 379 C LEU A 553 13.913 -25.905 -7.707 1.00 71.04 C ATOM 380 O LEU A 553 12.844 -26.218 -7.179 1.00 12.04 O ATOM 381 CB LEU A 553 14.288 -26.303 -10.118 1.00 41.01 C ATOM 382 CG LEU A 553 14.601 -27.255 -11.287 1.00 23.22 C ATOM 383 CD1 LEU A 553 14.304 -26.496 -12.560 1.00 74.30 C ATOM 384 CD2 LEU A 553 16.040 -27.785 -11.264 1.00 15.11 C ATOM 0 H LEU A 553 13.068 -28.251 -8.817 1.00 53.31 H new ATOM 0 HA LEU A 553 15.651 -26.835 -8.529 1.00 23.23 H new ATOM 0 HB2 LEU A 553 13.233 -26.036 -10.171 1.00 41.01 H new ATOM 0 HB3 LEU A 553 14.857 -25.385 -10.266 1.00 41.01 H new ATOM 0 HG LEU A 553 13.981 -28.148 -11.209 1.00 23.22 H new ATOM 0 HD11 LEU A 553 14.512 -27.133 -13.420 1.00 74.30 H new ATOM 0 HD12 LEU A 553 13.255 -26.201 -12.572 1.00 74.30 H new ATOM 0 HD13 LEU A 553 14.931 -25.606 -12.608 1.00 74.30 H new ATOM 0 HD21 LEU A 553 16.196 -28.450 -12.113 1.00 15.11 H new ATOM 0 HD22 LEU A 553 16.737 -26.949 -11.324 1.00 15.11 H new ATOM 0 HD23 LEU A 553 16.211 -28.333 -10.338 1.00 15.11 H new ATOM 396 N ARG A 554 14.537 -24.765 -7.455 1.00 24.43 N ATOM 397 CA ARG A 554 14.042 -23.819 -6.469 1.00 63.32 C ATOM 398 C ARG A 554 14.261 -22.379 -6.969 1.00 73.44 C ATOM 399 O ARG A 554 15.277 -22.103 -7.606 1.00 2.42 O ATOM 400 CB ARG A 554 14.779 -24.131 -5.148 1.00 44.32 C ATOM 401 CG ARG A 554 14.703 -23.072 -4.063 1.00 73.14 C ATOM 402 CD ARG A 554 16.038 -22.339 -3.898 1.00 70.55 C ATOM 403 NE ARG A 554 16.646 -21.948 -5.188 1.00 3.11 N ATOM 404 CZ ARG A 554 17.527 -20.975 -5.389 1.00 45.44 C ATOM 405 NH1 ARG A 554 18.001 -20.230 -4.423 1.00 30.15 N ATOM 406 NH2 ARG A 554 17.939 -20.752 -6.604 1.00 15.00 N ATOM 0 H ARG A 554 15.394 -24.472 -7.924 1.00 24.43 H new ATOM 0 HA ARG A 554 12.969 -23.911 -6.304 1.00 63.32 H new ATOM 0 HB2 ARG A 554 14.378 -25.061 -4.745 1.00 44.32 H new ATOM 0 HB3 ARG A 554 15.830 -24.309 -5.377 1.00 44.32 H new ATOM 0 HG2 ARG A 554 13.921 -22.354 -4.308 1.00 73.14 H new ATOM 0 HG3 ARG A 554 14.423 -23.538 -3.118 1.00 73.14 H new ATOM 0 HD2 ARG A 554 15.884 -21.447 -3.290 1.00 70.55 H new ATOM 0 HD3 ARG A 554 16.733 -22.979 -3.354 1.00 70.55 H new ATOM 0 HE ARG A 554 16.359 -22.481 -6.009 1.00 3.11 H new ATOM 0 HH11 ARG A 554 17.695 -20.385 -3.462 1.00 30.15 H new ATOM 0 HH12 ARG A 554 18.677 -19.495 -4.631 1.00 30.15 H new ATOM 0 HH21 ARG A 554 17.585 -21.319 -7.375 1.00 15.00 H new ATOM 0 HH22 ARG A 554 18.615 -20.010 -6.785 1.00 15.00 H new ATOM 420 N THR A 555 13.334 -21.472 -6.673 1.00 3.12 N ATOM 421 CA THR A 555 13.493 -20.037 -7.022 1.00 14.03 C ATOM 422 C THR A 555 14.436 -19.345 -6.036 1.00 0.35 C ATOM 423 O THR A 555 14.705 -19.887 -4.981 1.00 65.13 O ATOM 424 CB THR A 555 12.132 -19.270 -7.012 1.00 61.12 C ATOM 425 OG1 THR A 555 12.262 -18.081 -7.796 1.00 14.33 O ATOM 426 CG2 THR A 555 11.711 -18.845 -5.589 1.00 41.24 C ATOM 0 H THR A 555 12.461 -21.691 -6.193 1.00 3.12 H new ATOM 0 HA THR A 555 13.905 -20.011 -8.031 1.00 14.03 H new ATOM 0 HB THR A 555 11.377 -19.945 -7.414 1.00 61.12 H new ATOM 0 HG1 THR A 555 11.411 -17.595 -7.796 1.00 14.33 H new ATOM 0 HG21 THR A 555 10.759 -18.316 -5.634 1.00 41.24 H new ATOM 0 HG22 THR A 555 11.605 -19.730 -4.962 1.00 41.24 H new ATOM 0 HG23 THR A 555 12.471 -18.189 -5.165 1.00 41.24 H new ATOM 434 N SER A 556 14.884 -18.129 -6.337 1.00 62.12 N ATOM 435 CA SER A 556 15.823 -17.360 -5.486 1.00 10.42 C ATOM 436 C SER A 556 15.360 -16.976 -4.056 1.00 51.23 C ATOM 437 O SER A 556 15.954 -16.110 -3.411 1.00 63.54 O ATOM 438 CB SER A 556 16.187 -16.080 -6.234 1.00 71.21 C ATOM 439 OG SER A 556 16.411 -16.382 -7.601 1.00 50.44 O ATOM 0 H SER A 556 14.610 -17.634 -7.185 1.00 62.12 H new ATOM 0 HA SER A 556 16.656 -18.042 -5.315 1.00 10.42 H new ATOM 0 HB2 SER A 556 15.384 -15.349 -6.138 1.00 71.21 H new ATOM 0 HB3 SER A 556 17.080 -15.632 -5.798 1.00 71.21 H new ATOM 0 HG SER A 556 16.643 -15.561 -8.084 1.00 50.44 H new ATOM 445 N GLY A 557 14.344 -17.658 -3.554 1.00 33.21 N ATOM 446 CA GLY A 557 13.822 -17.450 -2.222 1.00 43.52 C ATOM 447 C GLY A 557 14.519 -18.323 -1.193 1.00 13.11 C ATOM 448 O GLY A 557 13.990 -18.563 -0.149 1.00 42.23 O ATOM 0 H GLY A 557 13.853 -18.385 -4.074 1.00 33.21 H new ATOM 0 HA2 GLY A 557 13.939 -16.402 -1.947 1.00 43.52 H new ATOM 0 HA3 GLY A 557 12.753 -17.664 -2.214 1.00 43.52 H new ATOM 452 N ALA A 558 15.674 -18.891 -1.486 1.00 52.31 N ATOM 453 CA ALA A 558 16.284 -19.797 -0.506 1.00 31.34 C ATOM 454 C ALA A 558 16.677 -19.062 0.773 1.00 25.14 C ATOM 455 O ALA A 558 17.590 -18.237 0.775 1.00 20.34 O ATOM 456 CB ALA A 558 17.463 -20.497 -1.077 1.00 74.21 C ATOM 0 H ALA A 558 16.197 -18.757 -2.352 1.00 52.31 H new ATOM 0 HA ALA A 558 15.530 -20.542 -0.252 1.00 31.34 H new ATOM 0 HB1 ALA A 558 17.891 -21.160 -0.326 1.00 74.21 H new ATOM 0 HB2 ALA A 558 17.154 -21.082 -1.944 1.00 74.21 H new ATOM 0 HB3 ALA A 558 18.209 -19.763 -1.381 1.00 74.21 H new ATOM 462 N ARG A 559 15.966 -19.366 1.850 1.00 50.02 N ATOM 463 CA ARG A 559 16.204 -18.767 3.155 1.00 21.52 C ATOM 464 C ARG A 559 16.148 -19.914 4.149 1.00 50.11 C ATOM 465 O ARG A 559 15.089 -20.490 4.369 1.00 64.32 O ATOM 466 CB ARG A 559 15.113 -17.731 3.486 1.00 42.24 C ATOM 467 CG ARG A 559 14.894 -16.650 2.415 1.00 22.01 C ATOM 468 CD ARG A 559 16.008 -15.623 2.333 1.00 61.32 C ATOM 469 NE ARG A 559 15.695 -14.647 1.275 1.00 2.51 N ATOM 470 CZ ARG A 559 16.012 -14.767 -0.010 1.00 74.44 C ATOM 471 NH1 ARG A 559 16.693 -15.778 -0.486 1.00 44.31 N ATOM 472 NH2 ARG A 559 15.620 -13.850 -0.845 1.00 23.43 N ATOM 0 H ARG A 559 15.201 -20.041 1.842 1.00 50.02 H new ATOM 0 HA ARG A 559 17.161 -18.246 3.184 1.00 21.52 H new ATOM 0 HB2 ARG A 559 14.172 -18.256 3.647 1.00 42.24 H new ATOM 0 HB3 ARG A 559 15.371 -17.243 4.426 1.00 42.24 H new ATOM 0 HG2 ARG A 559 14.788 -17.133 1.444 1.00 22.01 H new ATOM 0 HG3 ARG A 559 13.955 -16.136 2.620 1.00 22.01 H new ATOM 0 HD2 ARG A 559 16.120 -15.115 3.291 1.00 61.32 H new ATOM 0 HD3 ARG A 559 16.957 -16.115 2.120 1.00 61.32 H new ATOM 0 HE ARG A 559 15.191 -13.805 1.553 1.00 2.51 H new ATOM 0 HH11 ARG A 559 17.006 -16.521 0.139 1.00 44.31 H new ATOM 0 HH12 ARG A 559 16.911 -15.823 -1.482 1.00 44.31 H new ATOM 0 HH21 ARG A 559 15.078 -13.054 -0.510 1.00 23.43 H new ATOM 0 HH22 ARG A 559 15.855 -13.927 -1.835 1.00 23.43 H new ATOM 486 N GLY A 560 17.285 -20.281 4.706 1.00 4.55 N ATOM 487 CA GLY A 560 17.319 -21.386 5.647 1.00 74.20 C ATOM 488 C GLY A 560 17.198 -22.752 5.013 1.00 1.20 C ATOM 489 O GLY A 560 17.534 -22.958 3.841 1.00 51.23 O ATOM 0 H GLY A 560 18.187 -19.838 4.528 1.00 4.55 H new ATOM 0 HA2 GLY A 560 18.253 -21.341 6.208 1.00 74.20 H new ATOM 0 HA3 GLY A 560 16.509 -21.260 6.366 1.00 74.20 H new ATOM 493 N THR A 561 16.718 -23.679 5.818 1.00 23.33 N ATOM 494 CA THR A 561 16.550 -25.073 5.440 1.00 71.11 C ATOM 495 C THR A 561 15.070 -25.372 5.377 1.00 5.01 C ATOM 496 O THR A 561 14.302 -25.026 6.254 1.00 12.41 O ATOM 497 CB THR A 561 17.219 -26.036 6.456 1.00 14.11 C ATOM 498 OG1 THR A 561 18.620 -25.764 6.523 1.00 53.15 O ATOM 499 CG2 THR A 561 17.032 -27.462 6.084 1.00 50.11 C ATOM 0 H THR A 561 16.427 -23.482 6.775 1.00 23.33 H new ATOM 0 HA THR A 561 17.029 -25.228 4.473 1.00 71.11 H new ATOM 0 HB THR A 561 16.742 -25.868 7.422 1.00 14.11 H new ATOM 0 HG1 THR A 561 18.763 -24.878 6.917 1.00 53.15 H new ATOM 0 HG21 THR A 561 17.517 -28.098 6.824 1.00 50.11 H new ATOM 0 HG22 THR A 561 15.967 -27.693 6.050 1.00 50.11 H new ATOM 0 HG23 THR A 561 17.474 -27.643 5.104 1.00 50.11 H new ATOM 507 N VAL A 562 14.695 -26.007 4.298 1.00 0.12 N ATOM 508 CA VAL A 562 13.330 -26.410 3.995 1.00 51.32 C ATOM 509 C VAL A 562 13.411 -27.899 3.665 1.00 20.33 C ATOM 510 O VAL A 562 14.352 -28.325 3.030 1.00 23.33 O ATOM 511 CB VAL A 562 12.798 -25.618 2.756 1.00 63.43 C ATOM 512 CG1 VAL A 562 11.432 -26.126 2.302 1.00 11.11 C ATOM 513 CG2 VAL A 562 12.707 -24.116 3.058 1.00 75.12 C ATOM 0 H VAL A 562 15.356 -26.273 3.568 1.00 0.12 H new ATOM 0 HA VAL A 562 12.654 -26.211 4.826 1.00 51.32 H new ATOM 0 HB VAL A 562 13.514 -25.780 1.950 1.00 63.43 H new ATOM 0 HG11 VAL A 562 11.098 -25.550 1.439 1.00 11.11 H new ATOM 0 HG12 VAL A 562 11.508 -27.178 2.028 1.00 11.11 H new ATOM 0 HG13 VAL A 562 10.714 -26.013 3.114 1.00 11.11 H new ATOM 0 HG21 VAL A 562 12.334 -23.590 2.179 1.00 75.12 H new ATOM 0 HG22 VAL A 562 12.026 -23.954 3.894 1.00 75.12 H new ATOM 0 HG23 VAL A 562 13.696 -23.736 3.316 1.00 75.12 H new ATOM 523 N ILE A 563 12.431 -28.685 4.071 1.00 5.33 N ATOM 524 CA ILE A 563 12.385 -30.090 3.706 1.00 73.11 C ATOM 525 C ILE A 563 11.228 -30.240 2.707 1.00 4.15 C ATOM 526 O ILE A 563 10.215 -29.539 2.826 1.00 25.42 O ATOM 527 CB ILE A 563 12.219 -30.995 4.954 1.00 15.53 C ATOM 528 CG1 ILE A 563 12.827 -32.368 4.670 1.00 11.31 C ATOM 529 CG2 ILE A 563 10.746 -31.150 5.362 1.00 43.12 C ATOM 530 CD1 ILE A 563 13.214 -33.117 5.910 1.00 3.42 C ATOM 0 H ILE A 563 11.654 -28.374 4.655 1.00 5.33 H new ATOM 0 HA ILE A 563 13.320 -30.413 3.248 1.00 73.11 H new ATOM 0 HB ILE A 563 12.739 -30.519 5.785 1.00 15.53 H new ATOM 0 HG12 ILE A 563 12.111 -32.964 4.103 1.00 11.31 H new ATOM 0 HG13 ILE A 563 13.708 -32.244 4.040 1.00 11.31 H new ATOM 0 HG21 ILE A 563 10.677 -31.792 6.240 1.00 43.12 H new ATOM 0 HG22 ILE A 563 10.328 -30.171 5.595 1.00 43.12 H new ATOM 0 HG23 ILE A 563 10.186 -31.598 4.541 1.00 43.12 H new ATOM 0 HD11 ILE A 563 13.638 -34.082 5.634 1.00 3.42 H new ATOM 0 HD12 ILE A 563 13.953 -32.541 6.467 1.00 3.42 H new ATOM 0 HD13 ILE A 563 12.332 -33.273 6.531 1.00 3.42 H new ATOM 542 N VAL A 564 11.375 -31.092 1.702 1.00 71.34 N ATOM 543 CA VAL A 564 10.316 -31.272 0.694 1.00 63.03 C ATOM 544 C VAL A 564 10.051 -32.748 0.337 1.00 2.11 C ATOM 545 O VAL A 564 10.862 -33.383 -0.331 1.00 43.44 O ATOM 546 CB VAL A 564 10.629 -30.522 -0.640 1.00 62.23 C ATOM 547 CG1 VAL A 564 9.359 -30.490 -1.526 1.00 43.13 C ATOM 548 CG2 VAL A 564 11.102 -29.086 -0.372 1.00 63.44 C ATOM 0 H VAL A 564 12.204 -31.668 1.555 1.00 71.34 H new ATOM 0 HA VAL A 564 9.430 -30.851 1.170 1.00 63.03 H new ATOM 0 HB VAL A 564 11.429 -31.056 -1.153 1.00 62.23 H new ATOM 0 HG11 VAL A 564 9.578 -29.967 -2.457 1.00 43.13 H new ATOM 0 HG12 VAL A 564 9.045 -31.510 -1.748 1.00 43.13 H new ATOM 0 HG13 VAL A 564 8.559 -29.971 -0.997 1.00 43.13 H new ATOM 0 HG21 VAL A 564 11.312 -28.589 -1.319 1.00 63.44 H new ATOM 0 HG22 VAL A 564 10.323 -28.539 0.159 1.00 63.44 H new ATOM 0 HG23 VAL A 564 12.007 -29.108 0.235 1.00 63.44 H new ATOM 558 N PRO A 565 8.907 -33.308 0.763 1.00 24.24 N ATOM 559 CA PRO A 565 8.546 -34.670 0.358 1.00 64.51 C ATOM 560 C PRO A 565 8.101 -34.820 -1.075 1.00 70.15 C ATOM 561 O PRO A 565 7.583 -33.885 -1.678 1.00 30.50 O ATOM 562 CB PRO A 565 7.363 -35.003 1.279 1.00 42.23 C ATOM 563 CG PRO A 565 6.773 -33.708 1.597 1.00 33.22 C ATOM 564 CD PRO A 565 7.884 -32.722 1.640 1.00 43.10 C ATOM 0 HA PRO A 565 9.417 -35.321 0.437 1.00 64.51 H new ATOM 0 HB2 PRO A 565 6.645 -35.655 0.783 1.00 42.23 H new ATOM 0 HB3 PRO A 565 7.694 -35.520 2.179 1.00 42.23 H new ATOM 0 HG2 PRO A 565 6.036 -33.425 0.846 1.00 33.22 H new ATOM 0 HG3 PRO A 565 6.254 -33.746 2.555 1.00 33.22 H new ATOM 0 HD2 PRO A 565 7.564 -31.743 1.283 1.00 43.10 H new ATOM 0 HD3 PRO A 565 8.258 -32.585 2.655 1.00 43.10 H new ATOM 572 N PHE A 566 8.229 -36.037 -1.580 1.00 33.15 N ATOM 573 CA PHE A 566 7.719 -36.415 -2.878 1.00 52.25 C ATOM 574 C PHE A 566 7.104 -37.786 -2.766 1.00 71.43 C ATOM 575 O PHE A 566 7.378 -38.497 -1.798 1.00 65.14 O ATOM 576 CB PHE A 566 8.868 -36.490 -3.857 1.00 73.23 C ATOM 577 CG PHE A 566 9.897 -37.546 -3.510 1.00 74.11 C ATOM 578 CD1 PHE A 566 10.985 -37.233 -2.675 1.00 53.03 C ATOM 579 CD2 PHE A 566 9.791 -38.854 -4.028 1.00 40.04 C ATOM 580 CE1 PHE A 566 11.960 -38.210 -2.356 1.00 41.33 C ATOM 581 CE2 PHE A 566 10.761 -39.838 -3.713 1.00 43.31 C ATOM 582 CZ PHE A 566 11.849 -39.513 -2.881 1.00 41.43 C ATOM 0 H PHE A 566 8.698 -36.797 -1.088 1.00 33.15 H new ATOM 0 HA PHE A 566 6.983 -35.686 -3.217 1.00 52.25 H new ATOM 0 HB2 PHE A 566 8.473 -36.694 -4.852 1.00 73.23 H new ATOM 0 HB3 PHE A 566 9.359 -35.518 -3.902 1.00 73.23 H new ATOM 0 HD1 PHE A 566 11.078 -36.235 -2.272 1.00 53.03 H new ATOM 0 HD2 PHE A 566 8.962 -39.108 -4.672 1.00 40.04 H new ATOM 0 HE1 PHE A 566 12.788 -37.956 -1.711 1.00 41.33 H new ATOM 0 HE2 PHE A 566 10.665 -40.837 -4.111 1.00 43.31 H new ATOM 0 HZ PHE A 566 12.595 -40.258 -2.646 1.00 41.43 H new ATOM 592 N ARG A 567 6.338 -38.183 -3.773 1.00 4.30 N ATOM 593 CA ARG A 567 5.831 -39.545 -3.863 1.00 33.04 C ATOM 594 C ARG A 567 5.490 -39.831 -5.316 1.00 55.44 C ATOM 595 O ARG A 567 5.130 -38.919 -6.063 1.00 4.34 O ATOM 596 CB ARG A 567 4.613 -39.734 -2.944 1.00 13.35 C ATOM 597 CG ARG A 567 3.412 -38.908 -3.321 1.00 22.02 C ATOM 598 CD ARG A 567 2.412 -39.763 -4.053 1.00 43.44 C ATOM 599 NE ARG A 567 1.514 -40.519 -3.148 1.00 51.51 N ATOM 600 CZ ARG A 567 1.444 -41.850 -3.051 1.00 52.33 C ATOM 601 NH1 ARG A 567 2.155 -42.658 -3.783 1.00 44.02 N ATOM 602 NH2 ARG A 567 0.628 -42.383 -2.188 1.00 1.14 N ATOM 0 H ARG A 567 6.053 -37.577 -4.543 1.00 4.30 H new ATOM 0 HA ARG A 567 6.589 -40.253 -3.527 1.00 33.04 H new ATOM 0 HB2 ARG A 567 4.330 -40.787 -2.949 1.00 13.35 H new ATOM 0 HB3 ARG A 567 4.902 -39.486 -1.923 1.00 13.35 H new ATOM 0 HG2 ARG A 567 2.956 -38.484 -2.426 1.00 22.02 H new ATOM 0 HG3 ARG A 567 3.718 -38.072 -3.950 1.00 22.02 H new ATOM 0 HD2 ARG A 567 1.810 -39.129 -4.705 1.00 43.44 H new ATOM 0 HD3 ARG A 567 2.945 -40.465 -4.694 1.00 43.44 H new ATOM 0 HE ARG A 567 0.895 -39.976 -2.546 1.00 51.51 H new ATOM 0 HH11 ARG A 567 2.806 -42.282 -4.473 1.00 44.02 H new ATOM 0 HH12 ARG A 567 2.061 -43.667 -3.667 1.00 44.02 H new ATOM 0 HH21 ARG A 567 0.051 -41.786 -1.595 1.00 1.14 H new ATOM 0 HH22 ARG A 567 0.565 -43.398 -2.104 1.00 1.14 H new ATOM 616 N THR A 568 5.596 -41.087 -5.703 1.00 75.21 N ATOM 617 CA THR A 568 5.335 -41.524 -7.071 1.00 30.30 C ATOM 618 C THR A 568 3.826 -41.677 -7.193 1.00 5.23 C ATOM 619 O THR A 568 3.184 -42.065 -6.243 1.00 13.53 O ATOM 620 CB THR A 568 6.060 -42.863 -7.302 1.00 52.22 C ATOM 621 OG1 THR A 568 7.454 -42.673 -7.035 1.00 43.13 O ATOM 622 CG2 THR A 568 5.941 -43.351 -8.705 1.00 34.42 C ATOM 0 H THR A 568 5.868 -41.844 -5.075 1.00 75.21 H new ATOM 0 HA THR A 568 5.696 -40.816 -7.817 1.00 30.30 H new ATOM 0 HB THR A 568 5.599 -43.598 -6.643 1.00 52.22 H new ATOM 0 HG1 THR A 568 7.588 -42.539 -6.073 1.00 43.13 H new ATOM 0 HG21 THR A 568 6.471 -44.298 -8.807 1.00 34.42 H new ATOM 0 HG22 THR A 568 4.889 -43.496 -8.952 1.00 34.42 H new ATOM 0 HG23 THR A 568 6.375 -42.617 -9.384 1.00 34.42 H new ATOM 630 N VAL A 569 3.264 -41.253 -8.306 1.00 75.25 N ATOM 631 CA VAL A 569 1.835 -41.155 -8.507 1.00 23.23 C ATOM 632 C VAL A 569 1.630 -41.791 -9.845 1.00 12.52 C ATOM 633 O VAL A 569 2.184 -41.370 -10.852 1.00 21.11 O ATOM 634 CB VAL A 569 1.325 -39.695 -8.603 1.00 10.11 C ATOM 635 CG1 VAL A 569 -0.203 -39.674 -8.798 1.00 62.01 C ATOM 636 CG2 VAL A 569 1.674 -38.898 -7.369 1.00 23.55 C ATOM 0 H VAL A 569 3.806 -40.959 -9.119 1.00 75.25 H new ATOM 0 HA VAL A 569 1.303 -41.613 -7.673 1.00 23.23 H new ATOM 0 HB VAL A 569 1.817 -39.238 -9.461 1.00 10.11 H new ATOM 0 HG11 VAL A 569 -0.547 -38.642 -8.864 1.00 62.01 H new ATOM 0 HG12 VAL A 569 -0.460 -40.201 -9.717 1.00 62.01 H new ATOM 0 HG13 VAL A 569 -0.685 -40.164 -7.952 1.00 62.01 H new ATOM 0 HG21 VAL A 569 1.299 -37.880 -7.475 1.00 23.55 H new ATOM 0 HG22 VAL A 569 1.218 -39.363 -6.495 1.00 23.55 H new ATOM 0 HG23 VAL A 569 2.757 -38.875 -7.245 1.00 23.55 H new ATOM 646 N GLU A 570 0.880 -42.844 -9.836 1.00 64.32 N ATOM 647 CA GLU A 570 0.623 -43.608 -11.024 1.00 61.41 C ATOM 648 C GLU A 570 -0.507 -42.981 -11.850 1.00 22.12 C ATOM 649 O GLU A 570 -1.413 -42.350 -11.314 1.00 32.15 O ATOM 650 CB GLU A 570 0.343 -45.059 -10.630 1.00 52.42 C ATOM 651 CG GLU A 570 -0.073 -45.319 -9.151 1.00 3.13 C ATOM 652 CD GLU A 570 -1.271 -44.494 -8.661 1.00 4.45 C ATOM 653 OE1 GLU A 570 -2.426 -44.805 -9.010 1.00 62.14 O ATOM 654 OE2 GLU A 570 -1.031 -43.542 -7.869 1.00 12.22 O ATOM 0 H GLU A 570 0.422 -43.206 -8.999 1.00 64.32 H new ATOM 0 HA GLU A 570 1.500 -43.599 -11.671 1.00 61.41 H new ATOM 0 HB2 GLU A 570 -0.447 -45.440 -11.277 1.00 52.42 H new ATOM 0 HB3 GLU A 570 1.237 -45.646 -10.839 1.00 52.42 H new ATOM 0 HG2 GLU A 570 -0.308 -46.377 -9.036 1.00 3.13 H new ATOM 0 HG3 GLU A 570 0.781 -45.110 -8.507 1.00 3.13 H new ATOM 661 N GLY A 571 -0.400 -43.111 -13.165 1.00 42.41 N ATOM 662 CA GLY A 571 -1.416 -42.598 -14.078 1.00 34.44 C ATOM 663 C GLY A 571 -2.135 -43.783 -14.685 1.00 44.12 C ATOM 664 O GLY A 571 -3.200 -44.173 -14.225 1.00 63.21 O ATOM 0 H GLY A 571 0.385 -43.570 -13.627 1.00 42.41 H new ATOM 0 HA2 GLY A 571 -2.119 -41.957 -13.546 1.00 34.44 H new ATOM 0 HA3 GLY A 571 -0.957 -41.990 -14.857 1.00 34.44 H new ATOM 668 N THR A 572 -1.499 -44.425 -15.654 1.00 73.31 N ATOM 669 CA THR A 572 -1.902 -45.773 -16.052 1.00 71.13 C ATOM 670 C THR A 572 -0.684 -46.626 -15.739 1.00 1.12 C ATOM 671 O THR A 572 0.360 -46.484 -16.395 1.00 41.11 O ATOM 672 CB THR A 572 -2.321 -45.889 -17.554 1.00 41.22 C ATOM 673 OG1 THR A 572 -2.033 -47.203 -18.036 1.00 40.31 O ATOM 674 CG2 THR A 572 -1.591 -44.893 -18.447 1.00 54.20 C ATOM 0 H THR A 572 -0.710 -44.043 -16.176 1.00 73.31 H new ATOM 0 HA THR A 572 -2.798 -46.090 -15.518 1.00 71.13 H new ATOM 0 HB THR A 572 -3.389 -45.673 -17.596 1.00 41.22 H new ATOM 0 HG1 THR A 572 -2.298 -47.272 -18.977 1.00 40.31 H new ATOM 0 HG21 THR A 572 -1.921 -45.019 -19.478 1.00 54.20 H new ATOM 0 HG22 THR A 572 -1.812 -43.878 -18.117 1.00 54.20 H new ATOM 0 HG23 THR A 572 -0.517 -45.069 -18.386 1.00 54.20 H new ATOM 682 N ALA A 573 -0.817 -47.473 -14.726 1.00 74.20 N ATOM 683 CA ALA A 573 0.260 -48.323 -14.224 1.00 11.22 C ATOM 684 C ALA A 573 -0.328 -49.113 -13.057 1.00 3.34 C ATOM 685 O ALA A 573 -1.396 -48.753 -12.564 1.00 10.12 O ATOM 686 CB ALA A 573 1.427 -47.470 -13.717 1.00 65.44 C ATOM 0 H ALA A 573 -1.694 -47.592 -14.219 1.00 74.20 H new ATOM 0 HA ALA A 573 0.638 -48.974 -15.012 1.00 11.22 H new ATOM 0 HB1 ALA A 573 2.219 -48.121 -13.347 1.00 65.44 H new ATOM 0 HB2 ALA A 573 1.811 -46.858 -14.533 1.00 65.44 H new ATOM 0 HB3 ALA A 573 1.082 -46.824 -12.910 1.00 65.44 H new ATOM 692 N LYS A 574 0.383 -50.128 -12.578 1.00 11.35 N ATOM 693 CA LYS A 574 -0.060 -50.875 -11.388 1.00 12.22 C ATOM 694 C LYS A 574 0.505 -50.239 -10.107 1.00 44.52 C ATOM 695 O LYS A 574 -0.138 -50.250 -9.063 1.00 44.20 O ATOM 696 CB LYS A 574 0.322 -52.356 -11.427 1.00 71.30 C ATOM 697 CG LYS A 574 0.839 -52.885 -12.745 1.00 50.10 C ATOM 698 CD LYS A 574 -0.164 -52.981 -13.866 1.00 53.43 C ATOM 699 CE LYS A 574 0.593 -53.513 -15.050 1.00 41.33 C ATOM 700 NZ LYS A 574 -0.282 -53.918 -16.171 1.00 43.25 N ATOM 0 H LYS A 574 1.259 -50.456 -12.984 1.00 11.35 H new ATOM 0 HA LYS A 574 -1.149 -50.819 -11.388 1.00 12.22 H new ATOM 0 HB2 LYS A 574 1.083 -52.532 -10.667 1.00 71.30 H new ATOM 0 HB3 LYS A 574 -0.553 -52.941 -11.144 1.00 71.30 H new ATOM 0 HG2 LYS A 574 1.658 -52.245 -13.073 1.00 50.10 H new ATOM 0 HG3 LYS A 574 1.258 -53.877 -12.575 1.00 50.10 H new ATOM 0 HD2 LYS A 574 -0.987 -53.644 -13.598 1.00 53.43 H new ATOM 0 HD3 LYS A 574 -0.599 -52.006 -14.086 1.00 53.43 H new ATOM 0 HE2 LYS A 574 1.290 -52.751 -15.399 1.00 41.33 H new ATOM 0 HE3 LYS A 574 1.189 -54.370 -14.736 1.00 41.33 H new ATOM 0 HZ1 LYS A 574 0.301 -54.275 -16.955 1.00 43.25 H new ATOM 0 HZ2 LYS A 574 -0.930 -54.666 -15.853 1.00 43.25 H new ATOM 0 HZ3 LYS A 574 -0.833 -53.098 -16.495 1.00 43.25 H new ATOM 714 N GLY A 575 1.701 -49.666 -10.211 1.00 44.11 N ATOM 715 CA GLY A 575 2.337 -49.015 -9.066 1.00 51.53 C ATOM 716 C GLY A 575 2.932 -49.980 -8.061 1.00 22.22 C ATOM 717 O GLY A 575 3.171 -51.142 -8.369 1.00 3.12 O ATOM 0 H GLY A 575 2.248 -49.638 -11.071 1.00 44.11 H new ATOM 0 HA2 GLY A 575 3.123 -48.353 -9.428 1.00 51.53 H new ATOM 0 HA3 GLY A 575 1.601 -48.389 -8.562 1.00 51.53 H new ATOM 721 N GLY A 576 3.155 -49.507 -6.842 1.00 31.33 N ATOM 722 CA GLY A 576 3.654 -50.367 -5.780 1.00 42.13 C ATOM 723 C GLY A 576 5.084 -50.830 -5.979 1.00 0.12 C ATOM 724 O GLY A 576 6.012 -50.092 -5.728 1.00 12.43 O ATOM 0 H GLY A 576 2.999 -48.538 -6.566 1.00 31.33 H new ATOM 0 HA2 GLY A 576 3.585 -49.833 -4.832 1.00 42.13 H new ATOM 0 HA3 GLY A 576 3.008 -51.241 -5.701 1.00 42.13 H new ATOM 728 N GLY A 577 5.249 -52.095 -6.324 1.00 4.40 N ATOM 729 CA GLY A 577 6.547 -52.660 -6.670 1.00 41.13 C ATOM 730 C GLY A 577 6.499 -53.280 -8.050 1.00 52.44 C ATOM 731 O GLY A 577 7.301 -54.147 -8.344 1.00 61.50 O ATOM 0 H GLY A 577 4.482 -52.766 -6.373 1.00 4.40 H new ATOM 0 HA2 GLY A 577 7.310 -51.882 -6.640 1.00 41.13 H new ATOM 0 HA3 GLY A 577 6.831 -53.413 -5.935 1.00 41.13 H new ATOM 735 N GLU A 578 5.437 -52.994 -8.789 1.00 11.04 N ATOM 736 CA GLU A 578 5.091 -53.771 -9.985 1.00 64.24 C ATOM 737 C GLU A 578 5.601 -53.202 -11.319 1.00 23.01 C ATOM 738 O GLU A 578 6.416 -53.821 -11.968 1.00 2.33 O ATOM 739 CB GLU A 578 3.578 -53.972 -9.966 1.00 35.03 C ATOM 740 CG GLU A 578 3.048 -54.991 -10.950 1.00 65.32 C ATOM 741 CD GLU A 578 1.634 -55.497 -10.584 1.00 21.25 C ATOM 742 OE1 GLU A 578 1.161 -55.221 -9.455 1.00 2.05 O ATOM 743 OE2 GLU A 578 0.983 -56.140 -11.441 1.00 31.31 O ATOM 0 H GLU A 578 4.794 -52.229 -8.586 1.00 11.04 H new ATOM 0 HA GLU A 578 5.617 -54.724 -9.935 1.00 64.24 H new ATOM 0 HB2 GLU A 578 3.281 -54.273 -8.961 1.00 35.03 H new ATOM 0 HB3 GLU A 578 3.098 -53.014 -10.167 1.00 35.03 H new ATOM 0 HG2 GLU A 578 3.024 -54.549 -11.946 1.00 65.32 H new ATOM 0 HG3 GLU A 578 3.732 -55.838 -10.993 1.00 65.32 H new ATOM 750 N ASP A 579 5.152 -52.011 -11.721 1.00 14.42 N ATOM 751 CA ASP A 579 5.663 -51.386 -12.963 1.00 11.12 C ATOM 752 C ASP A 579 6.900 -50.555 -12.633 1.00 14.40 C ATOM 753 O ASP A 579 7.840 -50.410 -13.412 1.00 54.51 O ATOM 754 CB ASP A 579 4.631 -50.425 -13.556 1.00 61.30 C ATOM 755 CG ASP A 579 3.545 -51.120 -14.345 1.00 62.24 C ATOM 756 OD1 ASP A 579 3.716 -52.251 -14.821 1.00 45.53 O ATOM 757 OD2 ASP A 579 2.463 -50.508 -14.444 1.00 0.41 O ATOM 0 H ASP A 579 4.451 -51.462 -11.223 1.00 14.42 H new ATOM 0 HA ASP A 579 5.885 -52.184 -13.672 1.00 11.12 H new ATOM 0 HB2 ASP A 579 4.173 -49.852 -12.749 1.00 61.30 H new ATOM 0 HB3 ASP A 579 5.140 -49.712 -14.204 1.00 61.30 H new ATOM 762 N PHE A 580 6.856 -49.963 -11.456 1.00 71.10 N ATOM 763 CA PHE A 580 7.914 -49.118 -10.941 1.00 42.03 C ATOM 764 C PHE A 580 7.588 -49.054 -9.475 1.00 71.34 C ATOM 765 O PHE A 580 6.492 -49.451 -9.064 1.00 62.25 O ATOM 766 CB PHE A 580 7.900 -47.716 -11.563 1.00 34.52 C ATOM 767 CG PHE A 580 6.536 -47.123 -11.667 1.00 72.31 C ATOM 768 CD1 PHE A 580 5.883 -46.598 -10.535 1.00 24.21 C ATOM 769 CD2 PHE A 580 5.880 -47.099 -12.907 1.00 33.45 C ATOM 770 CE1 PHE A 580 4.582 -46.070 -10.638 1.00 23.24 C ATOM 771 CE2 PHE A 580 4.595 -46.567 -13.024 1.00 72.31 C ATOM 772 CZ PHE A 580 3.938 -46.056 -11.883 1.00 30.33 C ATOM 0 H PHE A 580 6.066 -50.058 -10.817 1.00 71.10 H new ATOM 0 HA PHE A 580 8.908 -49.506 -11.164 1.00 42.03 H new ATOM 0 HB2 PHE A 580 8.529 -47.056 -10.966 1.00 34.52 H new ATOM 0 HB3 PHE A 580 8.343 -47.764 -12.558 1.00 34.52 H new ATOM 0 HD1 PHE A 580 6.385 -46.600 -9.579 1.00 24.21 H new ATOM 0 HD2 PHE A 580 6.375 -47.497 -13.781 1.00 33.45 H new ATOM 0 HE1 PHE A 580 4.083 -45.678 -9.764 1.00 23.24 H new ATOM 0 HE2 PHE A 580 4.104 -46.546 -13.986 1.00 72.31 H new ATOM 0 HZ PHE A 580 2.939 -45.654 -11.970 1.00 30.33 H new ATOM 782 N GLU A 581 8.520 -48.573 -8.683 1.00 72.23 N ATOM 783 CA GLU A 581 8.301 -48.503 -7.252 1.00 63.54 C ATOM 784 C GLU A 581 7.537 -47.255 -6.813 1.00 34.41 C ATOM 785 O GLU A 581 7.750 -46.159 -7.334 1.00 41.42 O ATOM 786 CB GLU A 581 9.634 -48.562 -6.522 1.00 15.13 C ATOM 787 CG GLU A 581 10.245 -49.954 -6.544 1.00 1.45 C ATOM 788 CD GLU A 581 11.589 -50.001 -5.810 1.00 4.15 C ATOM 789 OE1 GLU A 581 12.127 -48.918 -5.467 1.00 10.22 O ATOM 790 OE2 GLU A 581 12.144 -51.108 -5.638 1.00 33.34 O ATOM 0 H GLU A 581 9.427 -48.228 -8.998 1.00 72.23 H new ATOM 0 HA GLU A 581 7.681 -49.361 -6.993 1.00 63.54 H new ATOM 0 HB2 GLU A 581 10.327 -47.856 -6.980 1.00 15.13 H new ATOM 0 HB3 GLU A 581 9.494 -48.246 -5.488 1.00 15.13 H new ATOM 0 HG2 GLU A 581 9.555 -50.660 -6.083 1.00 1.45 H new ATOM 0 HG3 GLU A 581 10.384 -50.273 -7.577 1.00 1.45 H new ATOM 797 N ASP A 582 6.711 -47.420 -5.788 1.00 13.14 N ATOM 798 CA ASP A 582 6.091 -46.303 -5.076 1.00 51.32 C ATOM 799 C ASP A 582 7.182 -45.716 -4.228 1.00 25.42 C ATOM 800 O ASP A 582 7.435 -46.100 -3.087 1.00 21.55 O ATOM 801 CB ASP A 582 4.966 -46.745 -4.173 1.00 71.33 C ATOM 802 CG ASP A 582 3.602 -46.302 -4.670 1.00 65.13 C ATOM 803 OD1 ASP A 582 3.120 -46.833 -5.691 1.00 23.04 O ATOM 804 OD2 ASP A 582 3.003 -45.411 -4.013 1.00 43.11 O ATOM 0 H ASP A 582 6.449 -48.336 -5.423 1.00 13.14 H new ATOM 0 HA ASP A 582 5.663 -45.600 -5.791 1.00 51.32 H new ATOM 0 HB2 ASP A 582 4.981 -47.832 -4.087 1.00 71.33 H new ATOM 0 HB3 ASP A 582 5.131 -46.344 -3.173 1.00 71.33 H new ATOM 809 N ALA A 583 7.887 -44.816 -4.854 1.00 75.31 N ATOM 810 CA ALA A 583 9.047 -44.219 -4.275 1.00 43.44 C ATOM 811 C ALA A 583 8.663 -42.874 -3.694 1.00 71.33 C ATOM 812 O ALA A 583 8.242 -41.956 -4.407 1.00 73.01 O ATOM 813 CB ALA A 583 10.102 -44.094 -5.309 1.00 32.44 C ATOM 0 H ALA A 583 7.666 -44.476 -5.790 1.00 75.31 H new ATOM 0 HA ALA A 583 9.443 -44.838 -3.471 1.00 43.44 H new ATOM 0 HB1 ALA A 583 10.990 -43.638 -4.870 1.00 32.44 H new ATOM 0 HB2 ALA A 583 10.354 -45.082 -5.693 1.00 32.44 H new ATOM 0 HB3 ALA A 583 9.739 -43.469 -6.125 1.00 32.44 H new ATOM 819 N TYR A 584 8.765 -42.789 -2.385 1.00 33.43 N ATOM 820 CA TYR A 584 8.426 -41.583 -1.655 1.00 4.31 C ATOM 821 C TYR A 584 9.456 -41.339 -0.570 1.00 12.12 C ATOM 822 O TYR A 584 10.008 -42.276 -0.002 1.00 73.42 O ATOM 823 CB TYR A 584 7.022 -41.713 -1.057 1.00 33.31 C ATOM 824 CG TYR A 584 6.774 -43.007 -0.315 1.00 63.31 C ATOM 825 CD1 TYR A 584 7.045 -43.122 1.065 1.00 41.04 C ATOM 826 CD2 TYR A 584 6.256 -44.131 -0.992 1.00 40.22 C ATOM 827 CE1 TYR A 584 6.808 -44.345 1.753 1.00 72.25 C ATOM 828 CE2 TYR A 584 6.023 -45.349 -0.312 1.00 22.04 C ATOM 829 CZ TYR A 584 6.301 -45.446 1.054 1.00 40.33 C ATOM 830 OH TYR A 584 6.081 -46.630 1.708 1.00 3.25 O ATOM 0 H TYR A 584 9.086 -43.556 -1.794 1.00 33.43 H new ATOM 0 HA TYR A 584 8.430 -40.731 -2.335 1.00 4.31 H new ATOM 0 HB2 TYR A 584 6.853 -40.880 -0.375 1.00 33.31 H new ATOM 0 HB3 TYR A 584 6.289 -41.623 -1.859 1.00 33.31 H new ATOM 0 HD1 TYR A 584 7.437 -42.273 1.605 1.00 41.04 H new ATOM 0 HD2 TYR A 584 6.034 -44.060 -2.047 1.00 40.22 H new ATOM 0 HE1 TYR A 584 7.018 -44.423 2.809 1.00 72.25 H new ATOM 0 HE2 TYR A 584 5.631 -46.202 -0.847 1.00 22.04 H new ATOM 0 HH TYR A 584 5.727 -47.291 1.077 1.00 3.25 H new ATOM 840 N GLY A 585 9.734 -40.076 -0.294 1.00 33.32 N ATOM 841 CA GLY A 585 10.701 -39.738 0.733 1.00 53.45 C ATOM 842 C GLY A 585 10.730 -38.243 0.911 1.00 73.41 C ATOM 843 O GLY A 585 9.926 -37.551 0.297 1.00 75.21 O ATOM 0 H GLY A 585 9.308 -39.276 -0.762 1.00 33.32 H new ATOM 0 HA2 GLY A 585 10.437 -40.223 1.673 1.00 53.45 H new ATOM 0 HA3 GLY A 585 11.689 -40.102 0.453 1.00 53.45 H new ATOM 847 N GLU A 586 11.646 -37.743 1.726 1.00 73.42 N ATOM 848 CA GLU A 586 11.790 -36.306 1.948 1.00 53.33 C ATOM 849 C GLU A 586 13.150 -35.831 1.486 1.00 1.14 C ATOM 850 O GLU A 586 14.145 -36.539 1.614 1.00 24.43 O ATOM 851 CB GLU A 586 11.615 -35.954 3.423 1.00 61.23 C ATOM 852 CG GLU A 586 10.161 -35.879 3.847 1.00 60.30 C ATOM 853 CD GLU A 586 9.964 -35.228 5.208 1.00 4.41 C ATOM 854 OE1 GLU A 586 10.612 -35.639 6.185 1.00 2.11 O ATOM 855 OE2 GLU A 586 9.117 -34.307 5.298 1.00 32.33 O ATOM 0 H GLU A 586 12.308 -38.315 2.251 1.00 73.42 H new ATOM 0 HA GLU A 586 11.012 -35.808 1.370 1.00 53.33 H new ATOM 0 HB2 GLU A 586 12.127 -36.699 4.032 1.00 61.23 H new ATOM 0 HB3 GLU A 586 12.095 -34.996 3.621 1.00 61.23 H new ATOM 0 HG2 GLU A 586 9.600 -35.318 3.099 1.00 60.30 H new ATOM 0 HG3 GLU A 586 9.744 -36.886 3.870 1.00 60.30 H new ATOM 862 N LEU A 587 13.179 -34.627 0.936 1.00 10.53 N ATOM 863 CA LEU A 587 14.402 -34.045 0.413 1.00 11.25 C ATOM 864 C LEU A 587 14.828 -32.847 1.235 1.00 14.44 C ATOM 865 O LEU A 587 14.102 -31.863 1.335 1.00 13.24 O ATOM 866 CB LEU A 587 14.179 -33.584 -1.027 1.00 42.14 C ATOM 867 CG LEU A 587 13.688 -34.660 -2.002 1.00 3.42 C ATOM 868 CD1 LEU A 587 13.249 -33.994 -3.274 1.00 22.45 C ATOM 869 CD2 LEU A 587 14.748 -35.706 -2.312 1.00 44.54 C ATOM 0 H LEU A 587 12.358 -34.029 0.840 1.00 10.53 H new ATOM 0 HA LEU A 587 15.180 -34.807 0.456 1.00 11.25 H new ATOM 0 HB2 LEU A 587 13.455 -32.769 -1.020 1.00 42.14 H new ATOM 0 HB3 LEU A 587 15.115 -33.176 -1.407 1.00 42.14 H new ATOM 0 HG LEU A 587 12.859 -35.184 -1.527 1.00 3.42 H new ATOM 0 HD11 LEU A 587 12.897 -34.749 -3.977 1.00 22.45 H new ATOM 0 HD12 LEU A 587 12.442 -33.294 -3.058 1.00 22.45 H new ATOM 0 HD13 LEU A 587 14.089 -33.455 -3.711 1.00 22.45 H new ATOM 0 HD21 LEU A 587 14.342 -36.441 -3.007 1.00 44.54 H new ATOM 0 HD22 LEU A 587 15.616 -35.223 -2.761 1.00 44.54 H new ATOM 0 HD23 LEU A 587 15.047 -36.205 -1.390 1.00 44.54 H new ATOM 881 N GLU A 588 16.020 -32.922 1.793 1.00 4.54 N ATOM 882 CA GLU A 588 16.608 -31.801 2.503 1.00 4.05 C ATOM 883 C GLU A 588 17.059 -30.748 1.499 1.00 43.14 C ATOM 884 O GLU A 588 17.866 -31.023 0.608 1.00 3.11 O ATOM 885 CB GLU A 588 17.814 -32.279 3.311 1.00 24.52 C ATOM 886 CG GLU A 588 17.456 -32.786 4.696 1.00 44.43 C ATOM 887 CD GLU A 588 17.509 -31.667 5.716 1.00 41.21 C ATOM 888 OE1 GLU A 588 16.774 -30.677 5.544 1.00 75.51 O ATOM 889 OE2 GLU A 588 18.401 -31.698 6.592 1.00 41.35 O ATOM 0 H GLU A 588 16.606 -33.756 1.768 1.00 4.54 H new ATOM 0 HA GLU A 588 15.867 -31.372 3.178 1.00 4.05 H new ATOM 0 HB2 GLU A 588 18.317 -33.074 2.761 1.00 24.52 H new ATOM 0 HB3 GLU A 588 18.525 -31.458 3.406 1.00 24.52 H new ATOM 0 HG2 GLU A 588 16.457 -33.221 4.680 1.00 44.43 H new ATOM 0 HG3 GLU A 588 18.145 -33.579 4.986 1.00 44.43 H new ATOM 896 N PHE A 589 16.547 -29.541 1.663 1.00 30.23 N ATOM 897 CA PHE A 589 16.914 -28.398 0.825 1.00 64.34 C ATOM 898 C PHE A 589 17.436 -27.286 1.717 1.00 1.42 C ATOM 899 O PHE A 589 16.840 -26.966 2.729 1.00 22.52 O ATOM 900 CB PHE A 589 15.694 -27.875 0.070 1.00 1.34 C ATOM 901 CG PHE A 589 15.584 -28.379 -1.329 1.00 23.12 C ATOM 902 CD1 PHE A 589 16.345 -27.787 -2.349 1.00 63.43 C ATOM 903 CD2 PHE A 589 14.699 -29.424 -1.650 1.00 21.22 C ATOM 904 CE1 PHE A 589 16.213 -28.211 -3.684 1.00 3.24 C ATOM 905 CE2 PHE A 589 14.561 -29.856 -2.989 1.00 11.33 C ATOM 906 CZ PHE A 589 15.321 -29.232 -4.005 1.00 51.03 C ATOM 0 H PHE A 589 15.860 -29.318 2.384 1.00 30.23 H new ATOM 0 HA PHE A 589 17.673 -28.714 0.109 1.00 64.34 H new ATOM 0 HB2 PHE A 589 14.794 -28.154 0.618 1.00 1.34 H new ATOM 0 HB3 PHE A 589 15.731 -26.786 0.051 1.00 1.34 H new ATOM 0 HD1 PHE A 589 17.040 -26.997 -2.106 1.00 63.43 H new ATOM 0 HD2 PHE A 589 14.122 -29.899 -0.870 1.00 21.22 H new ATOM 0 HE1 PHE A 589 16.803 -27.745 -4.460 1.00 3.24 H new ATOM 0 HE2 PHE A 589 13.880 -30.657 -3.234 1.00 11.33 H new ATOM 0 HZ PHE A 589 15.210 -29.547 -5.032 1.00 51.03 H new ATOM 916 N LYS A 590 18.547 -26.680 1.341 1.00 24.44 N ATOM 917 CA LYS A 590 19.155 -25.605 2.135 1.00 33.25 C ATOM 918 C LYS A 590 19.533 -24.479 1.205 1.00 1.43 C ATOM 919 O LYS A 590 19.304 -24.565 0.003 1.00 73.52 O ATOM 920 CB LYS A 590 20.390 -26.114 2.900 1.00 45.53 C ATOM 921 CG LYS A 590 20.064 -27.251 3.836 1.00 65.51 C ATOM 922 CD LYS A 590 21.235 -27.660 4.707 1.00 23.12 C ATOM 923 CE LYS A 590 20.747 -28.529 5.871 1.00 3.21 C ATOM 924 NZ LYS A 590 19.969 -29.718 5.396 1.00 71.42 N ATOM 0 H LYS A 590 19.056 -26.909 0.487 1.00 24.44 H new ATOM 0 HA LYS A 590 18.438 -25.250 2.876 1.00 33.25 H new ATOM 0 HB2 LYS A 590 21.146 -26.441 2.186 1.00 45.53 H new ATOM 0 HB3 LYS A 590 20.824 -25.292 3.470 1.00 45.53 H new ATOM 0 HG2 LYS A 590 19.229 -26.961 4.474 1.00 65.51 H new ATOM 0 HG3 LYS A 590 19.735 -28.111 3.252 1.00 65.51 H new ATOM 0 HD2 LYS A 590 21.965 -28.210 4.113 1.00 23.12 H new ATOM 0 HD3 LYS A 590 21.740 -26.774 5.091 1.00 23.12 H new ATOM 0 HE2 LYS A 590 21.603 -28.866 6.456 1.00 3.21 H new ATOM 0 HE3 LYS A 590 20.124 -27.930 6.535 1.00 3.21 H new ATOM 0 HZ1 LYS A 590 19.701 -30.306 6.211 1.00 71.42 H new ATOM 0 HZ2 LYS A 590 19.111 -29.397 4.904 1.00 71.42 H new ATOM 0 HZ3 LYS A 590 20.554 -30.277 4.743 1.00 71.42 H new ATOM 938 N ASN A 591 20.117 -23.436 1.770 1.00 12.22 N ATOM 939 CA ASN A 591 20.519 -22.248 1.018 1.00 34.01 C ATOM 940 C ASN A 591 21.246 -22.524 -0.314 1.00 64.21 C ATOM 941 O ASN A 591 20.779 -22.085 -1.351 1.00 35.15 O ATOM 942 CB ASN A 591 21.418 -21.388 1.910 1.00 13.23 C ATOM 943 CG ASN A 591 21.524 -19.948 1.444 1.00 62.15 C ATOM 944 OD1 ASN A 591 20.663 -19.542 0.554 1.00 15.02 O flip ATOM 945 ND2 ASN A 591 22.330 -19.195 1.947 1.00 52.15 N flip ATOM 0 H ASN A 591 20.329 -23.384 2.766 1.00 12.22 H new ATOM 0 HA ASN A 591 19.594 -21.741 0.743 1.00 34.01 H new ATOM 0 HB2 ASN A 591 21.031 -21.405 2.929 1.00 13.23 H new ATOM 0 HB3 ASN A 591 22.415 -21.827 1.940 1.00 13.23 H new ATOM 0 HD21 ASN A 591 22.991 -19.545 2.641 1.00 52.15 H new ATOM 0 HD22 ASN A 591 22.347 -18.212 1.676 1.00 52.15 H new ATOM 952 N ASP A 592 22.396 -23.186 -0.263 1.00 64.21 N ATOM 953 CA ASP A 592 23.203 -23.518 -1.459 1.00 14.22 C ATOM 954 C ASP A 592 22.698 -24.780 -2.173 1.00 71.40 C ATOM 955 O ASP A 592 22.826 -24.955 -3.377 1.00 31.04 O ATOM 956 CB ASP A 592 24.648 -23.751 -1.019 1.00 61.43 C ATOM 957 CG ASP A 592 25.174 -22.622 -0.162 1.00 15.21 C ATOM 958 OD1 ASP A 592 24.956 -22.679 1.073 1.00 63.03 O ATOM 959 OD2 ASP A 592 25.730 -21.650 -0.709 1.00 64.13 O ATOM 0 H ASP A 592 22.808 -23.515 0.610 1.00 64.21 H new ATOM 0 HA ASP A 592 23.124 -22.686 -2.159 1.00 14.22 H new ATOM 0 HB2 ASP A 592 24.710 -24.686 -0.463 1.00 61.43 H new ATOM 0 HB3 ASP A 592 25.281 -23.861 -1.900 1.00 61.43 H new ATOM 964 N GLU A 593 22.118 -25.644 -1.355 1.00 42.03 N ATOM 965 CA GLU A 593 21.562 -26.980 -1.701 1.00 33.21 C ATOM 966 C GLU A 593 20.389 -27.025 -2.672 1.00 34.22 C ATOM 967 O GLU A 593 19.588 -27.954 -2.647 1.00 33.52 O ATOM 968 CB GLU A 593 21.255 -27.767 -0.425 1.00 32.21 C ATOM 969 CG GLU A 593 22.492 -28.209 0.342 1.00 51.41 C ATOM 970 CD GLU A 593 23.061 -29.502 -0.206 1.00 43.51 C ATOM 971 OE1 GLU A 593 22.380 -30.544 -0.082 1.00 2.15 O ATOM 972 OE2 GLU A 593 24.167 -29.485 -0.772 1.00 32.35 O ATOM 0 H GLU A 593 22.007 -25.435 -0.363 1.00 42.03 H new ATOM 0 HA GLU A 593 22.359 -27.453 -2.274 1.00 33.21 H new ATOM 0 HB2 GLU A 593 20.635 -27.153 0.228 1.00 32.21 H new ATOM 0 HB3 GLU A 593 20.668 -28.648 -0.686 1.00 32.21 H new ATOM 0 HG2 GLU A 593 23.250 -27.428 0.291 1.00 51.41 H new ATOM 0 HG3 GLU A 593 22.240 -28.340 1.394 1.00 51.41 H new ATOM 979 N THR A 594 20.177 -25.944 -3.394 1.00 65.54 N ATOM 980 CA THR A 594 18.973 -25.734 -4.181 1.00 10.20 C ATOM 981 C THR A 594 18.888 -26.610 -5.415 1.00 61.11 C ATOM 982 O THR A 594 18.029 -26.395 -6.275 1.00 52.25 O ATOM 983 CB THR A 594 18.992 -24.319 -4.749 1.00 42.45 C ATOM 984 OG1 THR A 594 19.907 -24.243 -5.845 1.00 70.44 O ATOM 985 CG2 THR A 594 19.454 -23.339 -3.729 1.00 71.00 C ATOM 0 H THR A 594 20.844 -25.174 -3.453 1.00 65.54 H new ATOM 0 HA THR A 594 18.148 -25.950 -3.502 1.00 10.20 H new ATOM 0 HB THR A 594 17.975 -24.085 -5.065 1.00 42.45 H new ATOM 0 HG1 THR A 594 19.912 -23.331 -6.205 1.00 70.44 H new ATOM 0 HG21 THR A 594 19.458 -22.338 -4.161 1.00 71.00 H new ATOM 0 HG22 THR A 594 18.781 -23.361 -2.872 1.00 71.00 H new ATOM 0 HG23 THR A 594 20.462 -23.598 -3.406 1.00 71.00 H new ATOM 993 N VAL A 595 19.745 -27.614 -5.479 1.00 22.23 N ATOM 994 CA VAL A 595 19.693 -28.603 -6.546 1.00 62.25 C ATOM 995 C VAL A 595 19.584 -29.958 -5.879 1.00 40.03 C ATOM 996 O VAL A 595 20.436 -30.336 -5.073 1.00 4.32 O ATOM 997 CB VAL A 595 20.966 -28.568 -7.443 1.00 43.31 C ATOM 998 CG1 VAL A 595 20.642 -29.104 -8.843 1.00 2.22 C ATOM 999 CG2 VAL A 595 21.536 -27.135 -7.536 1.00 14.40 C ATOM 0 H VAL A 595 20.491 -27.768 -4.800 1.00 22.23 H new ATOM 0 HA VAL A 595 18.844 -28.393 -7.196 1.00 62.25 H new ATOM 0 HB VAL A 595 21.723 -29.206 -6.987 1.00 43.31 H new ATOM 0 HG11 VAL A 595 21.540 -29.074 -9.461 1.00 2.22 H new ATOM 0 HG12 VAL A 595 20.288 -30.132 -8.766 1.00 2.22 H new ATOM 0 HG13 VAL A 595 19.868 -28.487 -9.299 1.00 2.22 H new ATOM 0 HG21 VAL A 595 22.424 -27.137 -8.168 1.00 14.40 H new ATOM 0 HG22 VAL A 595 20.786 -26.472 -7.967 1.00 14.40 H new ATOM 0 HG23 VAL A 595 21.801 -26.783 -6.539 1.00 14.40 H new ATOM 1009 N LYS A 596 18.518 -30.678 -6.182 1.00 63.15 N ATOM 1010 CA LYS A 596 18.305 -31.996 -5.600 1.00 50.43 C ATOM 1011 C LYS A 596 17.629 -32.848 -6.632 1.00 44.21 C ATOM 1012 O LYS A 596 17.253 -32.347 -7.679 1.00 1.30 O ATOM 1013 CB LYS A 596 17.452 -31.882 -4.329 1.00 72.20 C ATOM 1014 CG LYS A 596 17.594 -33.054 -3.335 1.00 32.34 C ATOM 1015 CD LYS A 596 19.043 -33.318 -2.890 1.00 51.22 C ATOM 1016 CE LYS A 596 19.618 -32.105 -2.193 1.00 21.42 C ATOM 1017 NZ LYS A 596 20.998 -32.340 -1.666 1.00 32.33 N ATOM 0 H LYS A 596 17.787 -30.375 -6.826 1.00 63.15 H new ATOM 0 HA LYS A 596 19.254 -32.449 -5.313 1.00 50.43 H new ATOM 0 HB2 LYS A 596 17.715 -30.957 -3.816 1.00 72.20 H new ATOM 0 HB3 LYS A 596 16.405 -31.798 -4.620 1.00 72.20 H new ATOM 0 HG2 LYS A 596 16.985 -32.847 -2.455 1.00 32.34 H new ATOM 0 HG3 LYS A 596 17.194 -33.958 -3.794 1.00 32.34 H new ATOM 0 HD2 LYS A 596 19.072 -34.177 -2.219 1.00 51.22 H new ATOM 0 HD3 LYS A 596 19.655 -33.570 -3.756 1.00 51.22 H new ATOM 0 HE2 LYS A 596 19.638 -31.267 -2.889 1.00 21.42 H new ATOM 0 HE3 LYS A 596 18.963 -31.820 -1.370 1.00 21.42 H new ATOM 0 HZ1 LYS A 596 21.303 -31.515 -1.112 1.00 32.33 H new ATOM 0 HZ2 LYS A 596 20.999 -33.184 -1.059 1.00 32.33 H new ATOM 0 HZ3 LYS A 596 21.653 -32.485 -2.461 1.00 32.33 H new ATOM 1031 N THR A 597 17.489 -34.126 -6.356 1.00 1.02 N ATOM 1032 CA THR A 597 16.913 -35.049 -7.295 1.00 45.41 C ATOM 1033 C THR A 597 16.022 -36.045 -6.584 1.00 31.43 C ATOM 1034 O THR A 597 16.181 -36.285 -5.389 1.00 31.32 O ATOM 1035 CB THR A 597 18.045 -35.813 -7.953 1.00 61.54 C ATOM 1036 OG1 THR A 597 19.268 -35.534 -7.266 1.00 20.41 O ATOM 1037 CG2 THR A 597 18.232 -35.435 -9.418 1.00 43.24 C ATOM 0 H THR A 597 17.773 -34.550 -5.473 1.00 1.02 H new ATOM 0 HA THR A 597 16.321 -34.498 -8.025 1.00 45.41 H new ATOM 0 HB THR A 597 17.787 -36.871 -7.901 1.00 61.54 H new ATOM 0 HG1 THR A 597 20.001 -36.028 -7.689 1.00 20.41 H new ATOM 0 HG21 THR A 597 19.055 -36.011 -9.840 1.00 43.24 H new ATOM 0 HG22 THR A 597 17.317 -35.652 -9.969 1.00 43.24 H new ATOM 0 HG23 THR A 597 18.458 -34.371 -9.493 1.00 43.24 H new ATOM 1045 N ILE A 598 15.106 -36.636 -7.333 1.00 73.13 N ATOM 1046 CA ILE A 598 14.235 -37.702 -6.840 1.00 4.25 C ATOM 1047 C ILE A 598 14.539 -38.893 -7.689 1.00 73.51 C ATOM 1048 O ILE A 598 14.586 -38.769 -8.892 1.00 63.14 O ATOM 1049 CB ILE A 598 12.738 -37.358 -6.997 1.00 32.40 C ATOM 1050 CG1 ILE A 598 12.395 -36.272 -5.981 1.00 23.31 C ATOM 1051 CG2 ILE A 598 11.855 -38.631 -6.814 1.00 43.20 C ATOM 1052 CD1 ILE A 598 11.065 -35.601 -6.161 1.00 62.14 C ATOM 0 H ILE A 598 14.941 -36.391 -8.309 1.00 73.13 H new ATOM 0 HA ILE A 598 14.415 -37.865 -5.777 1.00 4.25 H new ATOM 0 HB ILE A 598 12.535 -36.986 -8.001 1.00 32.40 H new ATOM 0 HG12 ILE A 598 12.426 -36.712 -4.984 1.00 23.31 H new ATOM 0 HG13 ILE A 598 13.173 -35.509 -6.017 1.00 23.31 H new ATOM 0 HG21 ILE A 598 10.804 -38.365 -6.929 1.00 43.20 H new ATOM 0 HG22 ILE A 598 12.126 -39.373 -7.566 1.00 43.20 H new ATOM 0 HG23 ILE A 598 12.017 -39.047 -5.819 1.00 43.20 H new ATOM 0 HD11 ILE A 598 10.929 -34.849 -5.384 1.00 62.14 H new ATOM 0 HD12 ILE A 598 11.028 -35.123 -7.140 1.00 62.14 H new ATOM 0 HD13 ILE A 598 10.270 -36.344 -6.090 1.00 62.14 H new ATOM 1064 N ARG A 599 14.729 -40.034 -7.051 1.00 52.20 N ATOM 1065 CA ARG A 599 15.011 -41.294 -7.735 1.00 44.14 C ATOM 1066 C ARG A 599 13.863 -42.269 -7.536 1.00 33.44 C ATOM 1067 O ARG A 599 13.372 -42.416 -6.420 1.00 22.54 O ATOM 1068 CB ARG A 599 16.296 -41.910 -7.182 1.00 44.32 C ATOM 1069 CG ARG A 599 17.515 -41.282 -7.788 1.00 30.52 C ATOM 1070 CD ARG A 599 18.798 -41.990 -7.452 1.00 34.43 C ATOM 1071 NE ARG A 599 19.890 -41.332 -8.181 1.00 70.30 N ATOM 1072 CZ ARG A 599 21.090 -41.837 -8.417 1.00 74.21 C ATOM 1073 NH1 ARG A 599 21.458 -43.022 -7.992 1.00 14.44 N ATOM 1074 NH2 ARG A 599 21.931 -41.120 -9.103 1.00 41.24 N ATOM 0 H ARG A 599 14.693 -40.118 -6.035 1.00 52.20 H new ATOM 0 HA ARG A 599 15.131 -41.092 -8.799 1.00 44.14 H new ATOM 0 HB2 ARG A 599 16.323 -41.787 -6.099 1.00 44.32 H new ATOM 0 HB3 ARG A 599 16.301 -42.982 -7.381 1.00 44.32 H new ATOM 0 HG2 ARG A 599 17.398 -41.258 -8.871 1.00 30.52 H new ATOM 0 HG3 ARG A 599 17.584 -40.248 -7.451 1.00 30.52 H new ATOM 0 HD2 ARG A 599 18.982 -41.954 -6.378 1.00 34.43 H new ATOM 0 HD3 ARG A 599 18.735 -43.042 -7.730 1.00 34.43 H new ATOM 0 HE ARG A 599 19.706 -40.395 -8.540 1.00 70.30 H new ATOM 0 HH11 ARG A 599 20.808 -43.596 -7.455 1.00 14.44 H new ATOM 0 HH12 ARG A 599 22.394 -43.370 -8.199 1.00 14.44 H new ATOM 0 HH21 ARG A 599 21.657 -40.198 -9.442 1.00 41.24 H new ATOM 0 HH22 ARG A 599 22.864 -41.480 -9.302 1.00 41.24 H new ATOM 1088 N VAL A 600 13.458 -42.931 -8.610 1.00 11.34 N ATOM 1089 CA VAL A 600 12.391 -43.945 -8.569 1.00 64.10 C ATOM 1090 C VAL A 600 12.870 -45.143 -9.388 1.00 23.53 C ATOM 1091 O VAL A 600 13.284 -44.970 -10.533 1.00 51.53 O ATOM 1092 CB VAL A 600 11.057 -43.398 -9.191 1.00 35.11 C ATOM 1093 CG1 VAL A 600 9.972 -44.450 -9.175 1.00 41.11 C ATOM 1094 CG2 VAL A 600 10.609 -42.113 -8.477 1.00 55.12 C ATOM 0 H VAL A 600 13.854 -42.787 -9.539 1.00 11.34 H new ATOM 0 HA VAL A 600 12.188 -44.218 -7.534 1.00 64.10 H new ATOM 0 HB VAL A 600 11.248 -43.149 -10.235 1.00 35.11 H new ATOM 0 HG11 VAL A 600 9.061 -44.040 -9.612 1.00 41.11 H new ATOM 0 HG12 VAL A 600 10.295 -45.315 -9.754 1.00 41.11 H new ATOM 0 HG13 VAL A 600 9.776 -44.755 -8.147 1.00 41.11 H new ATOM 0 HG21 VAL A 600 9.683 -41.752 -8.925 1.00 55.12 H new ATOM 0 HG22 VAL A 600 10.444 -42.323 -7.420 1.00 55.12 H new ATOM 0 HG23 VAL A 600 11.382 -41.352 -8.579 1.00 55.12 H new ATOM 1104 N LYS A 601 12.854 -46.344 -8.814 1.00 53.34 N ATOM 1105 CA LYS A 601 13.281 -47.535 -9.559 1.00 71.33 C ATOM 1106 C LYS A 601 12.182 -47.916 -10.539 1.00 23.40 C ATOM 1107 O LYS A 601 11.011 -47.937 -10.171 1.00 74.43 O ATOM 1108 CB LYS A 601 13.537 -48.728 -8.623 1.00 75.41 C ATOM 1109 CG LYS A 601 14.133 -49.944 -9.357 1.00 3.04 C ATOM 1110 CD LYS A 601 14.094 -51.226 -8.536 1.00 71.10 C ATOM 1111 CE LYS A 601 14.687 -52.413 -9.333 1.00 73.14 C ATOM 1112 NZ LYS A 601 13.897 -52.753 -10.579 1.00 11.25 N ATOM 0 H LYS A 601 12.557 -46.521 -7.854 1.00 53.34 H new ATOM 0 HA LYS A 601 14.211 -47.299 -10.077 1.00 71.33 H new ATOM 0 HB2 LYS A 601 14.216 -48.421 -7.827 1.00 75.41 H new ATOM 0 HB3 LYS A 601 12.600 -49.019 -8.148 1.00 75.41 H new ATOM 0 HG2 LYS A 601 13.587 -50.101 -10.287 1.00 3.04 H new ATOM 0 HG3 LYS A 601 15.166 -49.725 -9.627 1.00 3.04 H new ATOM 0 HD2 LYS A 601 14.655 -51.087 -7.612 1.00 71.10 H new ATOM 0 HD3 LYS A 601 13.065 -51.450 -8.254 1.00 71.10 H new ATOM 0 HE2 LYS A 601 15.713 -52.176 -9.615 1.00 73.14 H new ATOM 0 HE3 LYS A 601 14.729 -53.290 -8.687 1.00 73.14 H new ATOM 0 HZ1 LYS A 601 14.479 -53.341 -11.209 1.00 11.25 H new ATOM 0 HZ2 LYS A 601 13.038 -53.276 -10.314 1.00 11.25 H new ATOM 0 HZ3 LYS A 601 13.631 -51.876 -11.071 1.00 11.25 H new ATOM 1126 N ILE A 602 12.569 -48.264 -11.756 1.00 23.05 N ATOM 1127 CA ILE A 602 11.638 -48.802 -12.737 1.00 62.12 C ATOM 1128 C ILE A 602 11.805 -50.312 -12.603 1.00 71.32 C ATOM 1129 O ILE A 602 12.933 -50.801 -12.516 1.00 30.42 O ATOM 1130 CB ILE A 602 11.952 -48.308 -14.185 1.00 13.21 C ATOM 1131 CG1 ILE A 602 12.161 -46.767 -14.190 1.00 4.52 C ATOM 1132 CG2 ILE A 602 10.807 -48.736 -15.135 1.00 34.32 C ATOM 1133 CD1 ILE A 602 10.965 -45.941 -13.698 1.00 34.22 C ATOM 0 H ILE A 602 13.529 -48.183 -12.090 1.00 23.05 H new ATOM 0 HA ILE A 602 10.614 -48.474 -12.559 1.00 62.12 H new ATOM 0 HB ILE A 602 12.876 -48.764 -14.541 1.00 13.21 H new ATOM 0 HG12 ILE A 602 13.024 -46.532 -13.567 1.00 4.52 H new ATOM 0 HG13 ILE A 602 12.405 -46.453 -15.205 1.00 4.52 H new ATOM 0 HG21 ILE A 602 11.025 -48.392 -16.146 1.00 34.32 H new ATOM 0 HG22 ILE A 602 10.719 -49.822 -15.133 1.00 34.32 H new ATOM 0 HG23 ILE A 602 9.869 -48.296 -14.796 1.00 34.32 H new ATOM 0 HD11 ILE A 602 11.213 -44.880 -13.741 1.00 34.22 H new ATOM 0 HD12 ILE A 602 10.101 -46.138 -14.333 1.00 34.22 H new ATOM 0 HD13 ILE A 602 10.730 -46.217 -12.670 1.00 34.22 H new ATOM 1145 N VAL A 603 10.705 -51.028 -12.462 1.00 54.41 N ATOM 1146 CA VAL A 603 10.743 -52.466 -12.199 1.00 40.44 C ATOM 1147 C VAL A 603 10.851 -53.184 -13.544 1.00 74.20 C ATOM 1148 O VAL A 603 10.399 -52.679 -14.566 1.00 12.12 O ATOM 1149 CB VAL A 603 9.522 -52.893 -11.343 1.00 4.31 C ATOM 1150 CG1 VAL A 603 9.484 -54.405 -11.106 1.00 44.24 C ATOM 1151 CG2 VAL A 603 9.588 -52.186 -9.959 1.00 52.22 C ATOM 0 H VAL A 603 9.764 -50.639 -12.525 1.00 54.41 H new ATOM 0 HA VAL A 603 11.613 -52.745 -11.604 1.00 40.44 H new ATOM 0 HB VAL A 603 8.625 -52.606 -11.892 1.00 4.31 H new ATOM 0 HG11 VAL A 603 8.612 -54.657 -10.502 1.00 44.24 H new ATOM 0 HG12 VAL A 603 9.424 -54.922 -12.064 1.00 44.24 H new ATOM 0 HG13 VAL A 603 10.389 -54.714 -10.583 1.00 44.24 H new ATOM 0 HG21 VAL A 603 8.730 -52.485 -9.356 1.00 52.22 H new ATOM 0 HG22 VAL A 603 10.508 -52.471 -9.448 1.00 52.22 H new ATOM 0 HG23 VAL A 603 9.572 -51.105 -10.101 1.00 52.22 H new ATOM 1295 N GLU A 612 3.723 -47.196 -20.121 1.00 74.15 N ATOM 1296 CA GLU A 612 3.276 -46.820 -18.792 1.00 11.42 C ATOM 1297 C GLU A 612 3.430 -45.309 -18.658 1.00 30.24 C ATOM 1298 O GLU A 612 4.281 -44.695 -19.302 1.00 2.50 O ATOM 1299 CB GLU A 612 4.097 -47.549 -17.725 1.00 64.33 C ATOM 1300 CG GLU A 612 3.997 -49.090 -17.786 1.00 11.34 C ATOM 1301 CD GLU A 612 4.683 -49.691 -19.020 1.00 43.12 C ATOM 1302 OE1 GLU A 612 5.750 -49.186 -19.422 1.00 23.31 O ATOM 1303 OE2 GLU A 612 4.093 -50.591 -19.653 1.00 60.12 O ATOM 0 HA GLU A 612 2.233 -47.102 -18.648 1.00 11.42 H new ATOM 0 HB2 GLU A 612 5.143 -47.260 -17.829 1.00 64.33 H new ATOM 0 HB3 GLU A 612 3.770 -47.214 -16.741 1.00 64.33 H new ATOM 0 HG2 GLU A 612 4.445 -49.513 -16.887 1.00 11.34 H new ATOM 0 HG3 GLU A 612 2.946 -49.380 -17.785 1.00 11.34 H new ATOM 1310 N ASN A 613 2.582 -44.711 -17.839 1.00 60.10 N ATOM 1311 CA ASN A 613 2.574 -43.262 -17.633 1.00 62.34 C ATOM 1312 C ASN A 613 2.405 -43.054 -16.153 1.00 53.31 C ATOM 1313 O ASN A 613 1.428 -43.512 -15.555 1.00 62.21 O ATOM 1314 CB ASN A 613 1.389 -42.646 -18.404 1.00 33.41 C ATOM 1315 CG ASN A 613 1.379 -41.116 -18.417 1.00 43.32 C ATOM 1316 OD1 ASN A 613 1.490 -40.494 -17.278 1.00 60.32 O flip ATOM 1317 ND2 ASN A 613 1.187 -40.521 -19.455 1.00 53.42 N flip ATOM 0 H ASN A 613 1.878 -45.210 -17.296 1.00 60.10 H new ATOM 0 HA ASN A 613 3.488 -42.789 -17.992 1.00 62.34 H new ATOM 0 HB2 ASN A 613 1.412 -43.007 -19.432 1.00 33.41 H new ATOM 0 HB3 ASN A 613 0.458 -43.001 -17.962 1.00 33.41 H new ATOM 0 HD21 ASN A 613 1.105 -41.037 -20.331 1.00 53.42 H new ATOM 0 HD22 ASN A 613 1.108 -39.504 -19.453 1.00 53.42 H new ATOM 1324 N PHE A 614 3.325 -42.316 -15.570 1.00 55.21 N ATOM 1325 CA PHE A 614 3.262 -41.993 -14.154 1.00 73.33 C ATOM 1326 C PHE A 614 3.945 -40.665 -13.934 1.00 21.23 C ATOM 1327 O PHE A 614 4.555 -40.126 -14.841 1.00 15.35 O ATOM 1328 CB PHE A 614 3.909 -43.095 -13.318 1.00 31.22 C ATOM 1329 CG PHE A 614 5.406 -42.988 -13.195 1.00 41.13 C ATOM 1330 CD1 PHE A 614 6.257 -43.558 -14.160 1.00 3.31 C ATOM 1331 CD2 PHE A 614 5.973 -42.340 -12.082 1.00 31.44 C ATOM 1332 CE1 PHE A 614 7.664 -43.485 -14.006 1.00 72.21 C ATOM 1333 CE2 PHE A 614 7.370 -42.252 -11.921 1.00 74.03 C ATOM 1334 CZ PHE A 614 8.215 -42.830 -12.881 1.00 3.15 C ATOM 0 H PHE A 614 4.132 -41.924 -16.055 1.00 55.21 H new ATOM 0 HA PHE A 614 2.222 -41.921 -13.836 1.00 73.33 H new ATOM 0 HB2 PHE A 614 3.473 -43.079 -12.319 1.00 31.22 H new ATOM 0 HB3 PHE A 614 3.661 -44.061 -13.759 1.00 31.22 H new ATOM 0 HD1 PHE A 614 5.836 -44.054 -15.022 1.00 3.31 H new ATOM 0 HD2 PHE A 614 5.325 -41.902 -11.337 1.00 31.44 H new ATOM 0 HE1 PHE A 614 8.313 -43.929 -14.746 1.00 72.21 H new ATOM 0 HE2 PHE A 614 7.788 -41.743 -11.065 1.00 74.03 H new ATOM 0 HZ PHE A 614 9.287 -42.774 -12.760 1.00 3.15 H new ATOM 1344 N PHE A 615 3.813 -40.120 -12.745 1.00 13.34 N ATOM 1345 CA PHE A 615 4.396 -38.833 -12.426 1.00 63.23 C ATOM 1346 C PHE A 615 4.795 -38.835 -10.961 1.00 14.14 C ATOM 1347 O PHE A 615 4.472 -39.755 -10.243 1.00 44.02 O ATOM 1348 CB PHE A 615 3.394 -37.710 -12.705 1.00 44.45 C ATOM 1349 CG PHE A 615 1.975 -38.181 -12.929 1.00 12.43 C ATOM 1350 CD1 PHE A 615 1.560 -38.614 -14.198 1.00 2.02 C ATOM 1351 CD2 PHE A 615 1.036 -38.159 -11.884 1.00 30.43 C ATOM 1352 CE1 PHE A 615 0.232 -39.028 -14.428 1.00 3.15 C ATOM 1353 CE2 PHE A 615 -0.302 -38.577 -12.104 1.00 32.32 C ATOM 1354 CZ PHE A 615 -0.697 -39.015 -13.379 1.00 52.40 C ATOM 0 H PHE A 615 3.302 -40.552 -11.975 1.00 13.34 H new ATOM 0 HA PHE A 615 5.274 -38.660 -13.048 1.00 63.23 H new ATOM 0 HB2 PHE A 615 3.405 -37.013 -11.867 1.00 44.45 H new ATOM 0 HB3 PHE A 615 3.723 -37.156 -13.584 1.00 44.45 H new ATOM 0 HD1 PHE A 615 2.270 -38.630 -15.012 1.00 2.02 H new ATOM 0 HD2 PHE A 615 1.336 -37.820 -10.903 1.00 30.43 H new ATOM 0 HE1 PHE A 615 -0.069 -39.355 -15.412 1.00 3.15 H new ATOM 0 HE2 PHE A 615 -1.015 -38.558 -11.293 1.00 32.32 H new ATOM 0 HZ PHE A 615 -1.713 -39.340 -13.550 1.00 52.40 H new ATOM 1364 N ILE A 616 5.506 -37.818 -10.507 1.00 30.23 N ATOM 1365 CA ILE A 616 5.903 -37.736 -9.100 1.00 72.31 C ATOM 1366 C ILE A 616 5.530 -36.354 -8.638 1.00 21.53 C ATOM 1367 O ILE A 616 6.002 -35.380 -9.197 1.00 45.22 O ATOM 1368 CB ILE A 616 7.435 -37.895 -8.928 1.00 71.25 C ATOM 1369 CG1 ILE A 616 7.967 -39.108 -9.711 1.00 51.23 C ATOM 1370 CG2 ILE A 616 7.807 -38.035 -7.443 1.00 20.13 C ATOM 1371 CD1 ILE A 616 9.426 -39.020 -9.944 1.00 0.31 C ATOM 0 H ILE A 616 5.822 -37.038 -11.083 1.00 30.23 H new ATOM 0 HA ILE A 616 5.414 -38.529 -8.534 1.00 72.31 H new ATOM 0 HB ILE A 616 7.900 -36.994 -9.329 1.00 71.25 H new ATOM 0 HG12 ILE A 616 7.742 -40.022 -9.161 1.00 51.23 H new ATOM 0 HG13 ILE A 616 7.450 -39.177 -10.668 1.00 51.23 H new ATOM 0 HG21 ILE A 616 8.887 -38.145 -7.347 1.00 20.13 H new ATOM 0 HG22 ILE A 616 7.484 -37.146 -6.902 1.00 20.13 H new ATOM 0 HG23 ILE A 616 7.314 -38.913 -7.026 1.00 20.13 H new ATOM 0 HD11 ILE A 616 9.759 -39.896 -10.500 1.00 0.31 H new ATOM 0 HD12 ILE A 616 9.649 -38.120 -10.517 1.00 0.31 H new ATOM 0 HD13 ILE A 616 9.945 -38.978 -8.987 1.00 0.31 H new ATOM 1383 N ALA A 617 4.666 -36.260 -7.648 1.00 41.43 N ATOM 1384 CA ALA A 617 4.217 -34.965 -7.154 1.00 44.52 C ATOM 1385 C ALA A 617 4.887 -34.735 -5.814 1.00 2.32 C ATOM 1386 O ALA A 617 5.204 -35.681 -5.085 1.00 31.10 O ATOM 1387 CB ALA A 617 2.686 -34.951 -7.007 1.00 3.12 C ATOM 0 H ALA A 617 4.258 -37.062 -7.167 1.00 41.43 H new ATOM 0 HA ALA A 617 4.484 -34.172 -7.852 1.00 44.52 H new ATOM 0 HB1 ALA A 617 2.365 -33.977 -6.637 1.00 3.12 H new ATOM 0 HB2 ALA A 617 2.226 -35.141 -7.977 1.00 3.12 H new ATOM 0 HB3 ALA A 617 2.381 -35.725 -6.303 1.00 3.12 H new ATOM 1393 N LEU A 618 5.088 -33.473 -5.492 1.00 51.35 N ATOM 1394 CA LEU A 618 5.670 -33.092 -4.222 1.00 20.33 C ATOM 1395 C LEU A 618 4.549 -32.939 -3.213 1.00 32.42 C ATOM 1396 O LEU A 618 3.438 -32.572 -3.574 1.00 54.52 O ATOM 1397 CB LEU A 618 6.442 -31.786 -4.380 1.00 72.15 C ATOM 1398 CG LEU A 618 7.612 -31.897 -5.369 1.00 64.35 C ATOM 1399 CD1 LEU A 618 8.151 -30.533 -5.683 1.00 0.41 C ATOM 1400 CD2 LEU A 618 8.710 -32.796 -4.823 1.00 73.42 C ATOM 0 H LEU A 618 4.854 -32.688 -6.099 1.00 51.35 H new ATOM 0 HA LEU A 618 6.368 -33.854 -3.876 1.00 20.33 H new ATOM 0 HB2 LEU A 618 5.760 -31.006 -4.718 1.00 72.15 H new ATOM 0 HB3 LEU A 618 6.824 -31.476 -3.407 1.00 72.15 H new ATOM 0 HG LEU A 618 7.241 -32.349 -6.289 1.00 64.35 H new ATOM 0 HD11 LEU A 618 8.980 -30.622 -6.385 1.00 0.41 H new ATOM 0 HD12 LEU A 618 7.364 -29.924 -6.127 1.00 0.41 H new ATOM 0 HD13 LEU A 618 8.502 -30.060 -4.766 1.00 0.41 H new ATOM 0 HD21 LEU A 618 9.524 -32.855 -5.545 1.00 73.42 H new ATOM 0 HD22 LEU A 618 9.085 -32.384 -3.886 1.00 73.42 H new ATOM 0 HD23 LEU A 618 8.309 -33.794 -4.646 1.00 73.42 H new ATOM 1412 N GLY A 619 4.845 -33.246 -1.958 1.00 71.45 N ATOM 1413 CA GLY A 619 3.855 -33.146 -0.899 1.00 40.30 C ATOM 1414 C GLY A 619 3.566 -31.694 -0.563 1.00 40.45 C ATOM 1415 O GLY A 619 2.623 -31.094 -1.061 1.00 71.43 O ATOM 0 H GLY A 619 5.763 -33.566 -1.650 1.00 71.45 H new ATOM 0 HA2 GLY A 619 2.935 -33.642 -1.208 1.00 40.30 H new ATOM 0 HA3 GLY A 619 4.214 -33.665 -0.010 1.00 40.30 H new ATOM 1419 N GLU A 620 4.424 -31.113 0.259 1.00 34.24 N ATOM 1420 CA GLU A 620 4.329 -29.702 0.611 1.00 52.41 C ATOM 1421 C GLU A 620 5.713 -29.309 1.124 1.00 50.40 C ATOM 1422 O GLU A 620 6.324 -30.029 1.913 1.00 71.21 O ATOM 1423 CB GLU A 620 3.240 -29.440 1.683 1.00 31.03 C ATOM 1424 CG GLU A 620 3.659 -29.778 3.112 1.00 0.35 C ATOM 1425 CD GLU A 620 2.524 -29.717 4.117 1.00 53.04 C ATOM 1426 OE1 GLU A 620 1.744 -28.740 4.102 1.00 64.41 O ATOM 1427 OE2 GLU A 620 2.463 -30.625 4.978 1.00 62.23 O ATOM 0 H GLU A 620 5.203 -31.601 0.700 1.00 34.24 H new ATOM 0 HA GLU A 620 4.033 -29.106 -0.253 1.00 52.41 H new ATOM 0 HB2 GLU A 620 2.954 -28.389 1.641 1.00 31.03 H new ATOM 0 HB3 GLU A 620 2.354 -30.022 1.431 1.00 31.03 H new ATOM 0 HG2 GLU A 620 4.090 -30.779 3.126 1.00 0.35 H new ATOM 0 HG3 GLU A 620 4.444 -29.088 3.423 1.00 0.35 H new ATOM 1434 N PRO A 621 6.269 -28.206 0.632 1.00 5.40 N ATOM 1435 CA PRO A 621 7.553 -27.804 1.202 1.00 70.53 C ATOM 1436 C PRO A 621 7.349 -27.264 2.626 1.00 43.44 C ATOM 1437 O PRO A 621 6.464 -26.448 2.871 1.00 11.12 O ATOM 1438 CB PRO A 621 8.026 -26.739 0.219 1.00 30.05 C ATOM 1439 CG PRO A 621 6.745 -26.129 -0.298 1.00 1.10 C ATOM 1440 CD PRO A 621 5.809 -27.279 -0.411 1.00 42.50 C ATOM 0 HA PRO A 621 8.280 -28.608 1.314 1.00 70.53 H new ATOM 0 HB2 PRO A 621 8.654 -25.995 0.708 1.00 30.05 H new ATOM 0 HB3 PRO A 621 8.616 -27.174 -0.588 1.00 30.05 H new ATOM 0 HG2 PRO A 621 6.362 -25.370 0.384 1.00 1.10 H new ATOM 0 HG3 PRO A 621 6.897 -25.643 -1.262 1.00 1.10 H new ATOM 0 HD2 PRO A 621 4.776 -26.972 -0.247 1.00 42.50 H new ATOM 0 HD3 PRO A 621 5.853 -27.735 -1.400 1.00 42.50 H new ATOM 1448 N LYS A 622 8.145 -27.741 3.571 1.00 72.35 N ATOM 1449 CA LYS A 622 8.004 -27.348 4.981 1.00 51.35 C ATOM 1450 C LYS A 622 9.315 -26.768 5.442 1.00 41.20 C ATOM 1451 O LYS A 622 10.359 -27.298 5.146 1.00 13.11 O ATOM 1452 CB LYS A 622 7.641 -28.548 5.870 1.00 21.32 C ATOM 1453 CG LYS A 622 7.219 -29.796 5.109 1.00 24.22 C ATOM 1454 CD LYS A 622 6.902 -30.942 6.045 1.00 65.01 C ATOM 1455 CE LYS A 622 6.762 -32.214 5.243 1.00 43.30 C ATOM 1456 NZ LYS A 622 6.515 -33.413 6.102 1.00 24.11 N ATOM 0 H LYS A 622 8.900 -28.403 3.395 1.00 72.35 H new ATOM 0 HA LYS A 622 7.199 -26.617 5.063 1.00 51.35 H new ATOM 0 HB2 LYS A 622 8.500 -28.793 6.495 1.00 21.32 H new ATOM 0 HB3 LYS A 622 6.832 -28.256 6.539 1.00 21.32 H new ATOM 0 HG2 LYS A 622 6.344 -29.572 4.499 1.00 24.22 H new ATOM 0 HG3 LYS A 622 8.016 -30.093 4.427 1.00 24.22 H new ATOM 0 HD2 LYS A 622 7.693 -31.051 6.787 1.00 65.01 H new ATOM 0 HD3 LYS A 622 5.980 -30.738 6.590 1.00 65.01 H new ATOM 0 HE2 LYS A 622 5.941 -32.104 4.535 1.00 43.30 H new ATOM 0 HE3 LYS A 622 7.668 -32.372 4.658 1.00 43.30 H new ATOM 0 HZ1 LYS A 622 7.342 -34.042 6.066 1.00 24.11 H new ATOM 0 HZ2 LYS A 622 6.354 -33.110 7.084 1.00 24.11 H new ATOM 0 HZ3 LYS A 622 5.677 -33.922 5.755 1.00 24.11 H new ATOM 1470 N TRP A 623 9.272 -25.686 6.183 1.00 4.43 N ATOM 1471 CA TRP A 623 10.490 -24.999 6.596 1.00 74.11 C ATOM 1472 C TRP A 623 11.052 -25.670 7.810 1.00 63.14 C ATOM 1473 O TRP A 623 10.498 -25.524 8.902 1.00 70.11 O ATOM 1474 CB TRP A 623 10.118 -23.580 6.966 1.00 2.32 C ATOM 1475 CG TRP A 623 11.167 -22.590 6.769 1.00 60.40 C ATOM 1476 CD1 TRP A 623 12.406 -22.742 6.222 1.00 64.45 C ATOM 1477 CD2 TRP A 623 11.079 -21.227 7.137 1.00 12.43 C ATOM 1478 NE1 TRP A 623 13.063 -21.554 6.157 1.00 61.13 N ATOM 1479 CE2 TRP A 623 12.271 -20.587 6.688 1.00 42.21 C ATOM 1480 CE3 TRP A 623 10.131 -20.480 7.849 1.00 20.31 C ATOM 1481 CZ2 TRP A 623 12.497 -19.216 6.861 1.00 70.45 C ATOM 1482 CZ3 TRP A 623 10.366 -19.155 8.080 1.00 33.44 C ATOM 1483 CH2 TRP A 623 11.535 -18.492 7.544 1.00 20.32 C ATOM 0 H TRP A 623 8.409 -25.256 6.517 1.00 4.43 H new ATOM 0 HA TRP A 623 11.225 -25.018 5.791 1.00 74.11 H new ATOM 0 HB2 TRP A 623 9.248 -23.285 6.379 1.00 2.32 H new ATOM 0 HB3 TRP A 623 9.817 -23.562 8.013 1.00 2.32 H new ATOM 0 HD1 TRP A 623 12.813 -23.684 5.884 1.00 64.45 H new ATOM 0 HE1 TRP A 623 13.997 -21.412 5.773 1.00 61.13 H new ATOM 0 HE3 TRP A 623 9.226 -20.946 8.210 1.00 20.31 H new ATOM 0 HZ2 TRP A 623 13.388 -18.742 6.476 1.00 70.45 H new ATOM 0 HZ3 TRP A 623 9.664 -18.590 8.675 1.00 33.44 H new ATOM 0 HH2 TRP A 623 11.658 -17.427 7.677 1.00 20.32 H new ATOM 1494 N MET A 624 12.186 -26.347 7.677 1.00 70.31 N ATOM 1495 CA MET A 624 12.851 -26.678 8.894 1.00 35.13 C ATOM 1496 C MET A 624 14.273 -26.177 8.948 1.00 1.04 C ATOM 1497 O MET A 624 15.257 -26.885 9.108 1.00 61.41 O ATOM 1498 CB MET A 624 13.116 -28.127 8.709 1.00 41.22 C ATOM 1499 CG MET A 624 11.963 -29.042 8.326 1.00 62.44 C ATOM 1500 SD MET A 624 10.774 -29.336 9.616 1.00 53.20 S ATOM 1501 CE MET A 624 9.972 -30.750 8.891 1.00 12.14 C ATOM 0 H MET A 624 12.624 -26.650 6.807 1.00 70.31 H new ATOM 0 HA MET A 624 12.266 -26.310 9.737 1.00 35.13 H new ATOM 0 HB2 MET A 624 13.884 -28.226 7.942 1.00 41.22 H new ATOM 0 HB3 MET A 624 13.542 -28.505 9.638 1.00 41.22 H new ATOM 0 HG2 MET A 624 11.447 -28.611 7.468 1.00 62.44 H new ATOM 0 HG3 MET A 624 12.371 -30.000 8.004 1.00 62.44 H new ATOM 0 HE1 MET A 624 9.112 -31.032 9.499 1.00 12.14 H new ATOM 0 HE2 MET A 624 9.638 -30.502 7.883 1.00 12.14 H new ATOM 0 HE3 MET A 624 10.674 -31.583 8.846 1.00 12.14 H new ATOM 1511 N GLU A 625 14.261 -24.936 9.288 1.00 64.51 N ATOM 1512 CA GLU A 625 15.241 -24.241 10.061 1.00 14.15 C ATOM 1513 C GLU A 625 14.388 -23.186 10.659 1.00 64.14 C ATOM 1514 O GLU A 625 14.622 -22.183 10.195 1.00 3.34 O ATOM 1515 CB GLU A 625 16.169 -23.633 8.992 1.00 24.43 C ATOM 1516 CG GLU A 625 17.231 -22.581 9.418 1.00 1.30 C ATOM 1517 CD GLU A 625 18.535 -22.646 8.632 1.00 73.30 C ATOM 1518 OE1 GLU A 625 18.941 -23.739 8.194 1.00 2.33 O ATOM 1519 OE2 GLU A 625 19.126 -21.572 8.407 1.00 53.54 O ATOM 0 H GLU A 625 13.496 -24.322 9.008 1.00 64.51 H new ATOM 0 HA GLU A 625 15.826 -24.791 10.799 1.00 14.15 H new ATOM 0 HB2 GLU A 625 16.697 -24.456 8.510 1.00 24.43 H new ATOM 0 HB3 GLU A 625 15.537 -23.172 8.233 1.00 24.43 H new ATOM 0 HG2 GLU A 625 16.803 -21.585 9.306 1.00 1.30 H new ATOM 0 HG3 GLU A 625 17.453 -22.715 10.477 1.00 1.30 H new ATOM 1526 N ARG A 626 13.751 -23.189 11.810 1.00 4.31 N ATOM 1527 CA ARG A 626 12.956 -21.976 12.281 1.00 50.25 C ATOM 1528 C ARG A 626 12.015 -22.463 13.351 1.00 72.42 C ATOM 1529 O ARG A 626 11.915 -21.865 14.406 1.00 21.21 O ATOM 1530 CB ARG A 626 12.042 -21.143 11.218 1.00 74.21 C ATOM 1531 CG ARG A 626 12.701 -20.378 10.057 1.00 73.43 C ATOM 1532 CD ARG A 626 13.774 -19.365 10.484 1.00 40.50 C ATOM 1533 NE ARG A 626 13.212 -18.331 11.383 1.00 11.30 N ATOM 1534 CZ ARG A 626 13.564 -18.131 12.650 1.00 44.02 C ATOM 1535 NH1 ARG A 626 14.498 -18.840 13.238 1.00 40.25 N ATOM 1536 NH2 ARG A 626 12.972 -17.201 13.343 1.00 12.54 N ATOM 0 H ARG A 626 13.741 -23.979 12.455 1.00 4.31 H new ATOM 0 HA ARG A 626 13.731 -21.267 12.573 1.00 50.25 H new ATOM 0 HB2 ARG A 626 11.335 -21.847 10.780 1.00 74.21 H new ATOM 0 HB3 ARG A 626 11.459 -20.421 11.790 1.00 74.21 H new ATOM 0 HG2 ARG A 626 13.152 -21.098 9.374 1.00 73.43 H new ATOM 0 HG3 ARG A 626 11.926 -19.852 9.499 1.00 73.43 H new ATOM 0 HD2 ARG A 626 14.588 -19.885 10.989 1.00 40.50 H new ATOM 0 HD3 ARG A 626 14.200 -18.889 9.601 1.00 40.50 H new ATOM 0 HE ARG A 626 12.493 -17.719 10.997 1.00 11.30 H new ATOM 0 HH11 ARG A 626 14.982 -19.574 12.721 1.00 40.25 H new ATOM 0 HH12 ARG A 626 14.740 -18.657 14.212 1.00 40.25 H new ATOM 0 HH21 ARG A 626 12.243 -16.631 12.914 1.00 12.54 H new ATOM 0 HH22 ARG A 626 13.237 -17.042 14.315 1.00 12.54 H new ATOM 1916 N GLY A 650 7.460 -17.112 6.946 1.00 50.14 N ATOM 1917 CA GLY A 650 8.501 -17.342 5.939 1.00 43.34 C ATOM 1918 C GLY A 650 8.243 -18.427 4.911 1.00 42.10 C ATOM 1919 O GLY A 650 9.102 -18.753 4.103 1.00 44.14 O ATOM 0 HA2 GLY A 650 8.669 -16.406 5.407 1.00 43.34 H new ATOM 0 HA3 GLY A 650 9.428 -17.584 6.460 1.00 43.34 H new ATOM 1923 N LYS A 651 7.110 -19.086 5.062 1.00 52.44 N ATOM 1924 CA LYS A 651 6.868 -20.393 4.482 1.00 31.33 C ATOM 1925 C LYS A 651 6.847 -20.494 2.956 1.00 32.45 C ATOM 1926 O LYS A 651 6.316 -19.621 2.268 1.00 33.32 O ATOM 1927 CB LYS A 651 5.580 -20.962 5.087 1.00 74.43 C ATOM 1928 CG LYS A 651 4.392 -20.013 5.048 1.00 51.25 C ATOM 1929 CD LYS A 651 3.174 -20.647 5.698 1.00 11.11 C ATOM 1930 CE LYS A 651 1.988 -19.689 5.675 1.00 70.12 C ATOM 1931 NZ LYS A 651 0.796 -20.285 6.372 1.00 42.44 N ATOM 0 H LYS A 651 6.321 -18.724 5.598 1.00 52.44 H new ATOM 0 HA LYS A 651 7.746 -20.985 4.741 1.00 31.33 H new ATOM 0 HB2 LYS A 651 5.316 -21.876 4.555 1.00 74.43 H new ATOM 0 HB3 LYS A 651 5.772 -21.241 6.123 1.00 74.43 H new ATOM 0 HG2 LYS A 651 4.644 -19.086 5.564 1.00 51.25 H new ATOM 0 HG3 LYS A 651 4.164 -19.751 4.015 1.00 51.25 H new ATOM 0 HD2 LYS A 651 2.914 -21.567 5.174 1.00 11.11 H new ATOM 0 HD3 LYS A 651 3.406 -20.921 6.727 1.00 11.11 H new ATOM 0 HE2 LYS A 651 2.264 -18.752 6.158 1.00 70.12 H new ATOM 0 HE3 LYS A 651 1.729 -19.451 4.643 1.00 70.12 H new ATOM 0 HZ1 LYS A 651 0.004 -19.612 6.341 1.00 42.44 H new ATOM 0 HZ2 LYS A 651 0.520 -21.167 5.895 1.00 42.44 H new ATOM 0 HZ3 LYS A 651 1.039 -20.489 7.362 1.00 42.44 H new ATOM 1945 N PRO A 652 7.443 -21.577 2.416 1.00 30.01 N ATOM 1946 CA PRO A 652 7.485 -21.790 0.970 1.00 13.01 C ATOM 1947 C PRO A 652 6.172 -22.316 0.424 1.00 61.35 C ATOM 1948 O PRO A 652 5.300 -22.753 1.173 1.00 12.22 O ATOM 1949 CB PRO A 652 8.572 -22.852 0.826 1.00 55.32 C ATOM 1950 CG PRO A 652 8.443 -23.641 2.051 1.00 44.14 C ATOM 1951 CD PRO A 652 8.133 -22.676 3.125 1.00 32.13 C ATOM 0 HA PRO A 652 7.673 -20.868 0.420 1.00 13.01 H new ATOM 0 HB2 PRO A 652 8.420 -23.464 -0.063 1.00 55.32 H new ATOM 0 HB3 PRO A 652 9.562 -22.404 0.739 1.00 55.32 H new ATOM 0 HG2 PRO A 652 7.652 -24.385 1.955 1.00 44.14 H new ATOM 0 HG3 PRO A 652 9.365 -24.182 2.266 1.00 44.14 H new ATOM 0 HD2 PRO A 652 7.498 -23.120 3.892 1.00 32.13 H new ATOM 0 HD3 PRO A 652 9.037 -22.326 3.623 1.00 32.13 H new ATOM 1959 N VAL A 653 6.062 -22.303 -0.894 1.00 33.40 N ATOM 1960 CA VAL A 653 4.880 -22.840 -1.592 1.00 3.03 C ATOM 1961 C VAL A 653 5.301 -23.632 -2.838 1.00 71.32 C ATOM 1962 O VAL A 653 6.460 -23.579 -3.262 1.00 50.21 O ATOM 1963 CB VAL A 653 3.855 -21.711 -1.992 1.00 65.34 C ATOM 1964 CG1 VAL A 653 3.291 -21.018 -0.740 1.00 53.42 C ATOM 1965 CG2 VAL A 653 4.482 -20.675 -2.911 1.00 41.34 C ATOM 0 H VAL A 653 6.777 -21.926 -1.516 1.00 33.40 H new ATOM 0 HA VAL A 653 4.377 -23.507 -0.893 1.00 3.03 H new ATOM 0 HB VAL A 653 3.043 -22.196 -2.533 1.00 65.34 H new ATOM 0 HG11 VAL A 653 2.586 -20.243 -1.040 1.00 53.42 H new ATOM 0 HG12 VAL A 653 2.780 -21.752 -0.117 1.00 53.42 H new ATOM 0 HG13 VAL A 653 4.107 -20.568 -0.175 1.00 53.42 H new ATOM 0 HG21 VAL A 653 3.741 -19.916 -3.162 1.00 41.34 H new ATOM 0 HG22 VAL A 653 5.327 -20.205 -2.407 1.00 41.34 H new ATOM 0 HG23 VAL A 653 4.828 -21.160 -3.824 1.00 41.34 H new ATOM 1975 N LEU A 654 4.364 -24.381 -3.404 1.00 62.32 N ATOM 1976 CA LEU A 654 4.614 -25.182 -4.608 1.00 34.51 C ATOM 1977 C LEU A 654 4.665 -24.272 -5.838 1.00 20.31 C ATOM 1978 O LEU A 654 4.084 -23.192 -5.843 1.00 74.34 O ATOM 1979 CB LEU A 654 3.493 -26.227 -4.810 1.00 13.33 C ATOM 1980 CG LEU A 654 3.354 -27.436 -3.853 1.00 24.41 C ATOM 1981 CD1 LEU A 654 4.660 -28.229 -3.778 1.00 61.43 C ATOM 1982 CD2 LEU A 654 2.870 -27.050 -2.457 1.00 44.13 C ATOM 0 H LEU A 654 3.411 -24.454 -3.048 1.00 62.32 H new ATOM 0 HA LEU A 654 5.567 -25.695 -4.482 1.00 34.51 H new ATOM 0 HB2 LEU A 654 2.545 -25.689 -4.786 1.00 13.33 H new ATOM 0 HB3 LEU A 654 3.606 -26.627 -5.817 1.00 13.33 H new ATOM 0 HG LEU A 654 2.579 -28.073 -4.280 1.00 24.41 H new ATOM 0 HD11 LEU A 654 4.535 -29.073 -3.099 1.00 61.43 H new ATOM 0 HD12 LEU A 654 4.920 -28.597 -4.771 1.00 61.43 H new ATOM 0 HD13 LEU A 654 5.457 -27.583 -3.411 1.00 61.43 H new ATOM 0 HD21 LEU A 654 2.795 -27.944 -1.838 1.00 44.13 H new ATOM 0 HD22 LEU A 654 3.578 -26.355 -2.006 1.00 44.13 H new ATOM 0 HD23 LEU A 654 1.891 -26.575 -2.529 1.00 44.13 H new ATOM 1994 N GLY A 655 5.375 -24.719 -6.867 1.00 23.12 N ATOM 1995 CA GLY A 655 5.530 -23.943 -8.091 1.00 54.42 C ATOM 1996 C GLY A 655 4.593 -24.233 -9.237 1.00 41.43 C ATOM 1997 O GLY A 655 3.534 -24.820 -9.090 1.00 65.42 O ATOM 0 H GLY A 655 5.854 -25.619 -6.877 1.00 23.12 H new ATOM 0 HA2 GLY A 655 5.426 -22.889 -7.833 1.00 54.42 H new ATOM 0 HA3 GLY A 655 6.550 -24.085 -8.449 1.00 54.42 H new ATOM 2001 N GLU A 656 5.045 -23.797 -10.403 1.00 63.32 N ATOM 2002 CA GLU A 656 4.330 -23.952 -11.667 1.00 60.34 C ATOM 2003 C GLU A 656 4.189 -25.426 -12.064 1.00 55.10 C ATOM 2004 O GLU A 656 3.120 -25.867 -12.466 1.00 53.41 O ATOM 2005 CB GLU A 656 5.136 -23.193 -12.722 1.00 60.22 C ATOM 2006 CG GLU A 656 4.603 -23.238 -14.137 1.00 45.21 C ATOM 2007 CD GLU A 656 5.593 -22.603 -15.100 1.00 70.11 C ATOM 2008 OE1 GLU A 656 6.760 -23.070 -15.130 1.00 31.32 O ATOM 2009 OE2 GLU A 656 5.245 -21.610 -15.761 1.00 54.35 O ATOM 0 H GLU A 656 5.938 -23.315 -10.502 1.00 63.32 H new ATOM 0 HA GLU A 656 3.317 -23.559 -11.576 1.00 60.34 H new ATOM 0 HB2 GLU A 656 5.203 -22.149 -12.415 1.00 60.22 H new ATOM 0 HB3 GLU A 656 6.151 -23.589 -12.727 1.00 60.22 H new ATOM 0 HG2 GLU A 656 4.415 -24.271 -14.428 1.00 45.21 H new ATOM 0 HG3 GLU A 656 3.649 -22.714 -14.189 1.00 45.21 H new ATOM 2016 N HIS A 657 5.262 -26.193 -11.912 1.00 74.33 N ATOM 2017 CA HIS A 657 5.220 -27.636 -12.185 1.00 33.10 C ATOM 2018 C HIS A 657 6.030 -28.441 -11.169 1.00 22.24 C ATOM 2019 O HIS A 657 7.121 -28.917 -11.464 1.00 42.35 O ATOM 2020 CB HIS A 657 5.638 -27.998 -13.629 1.00 13.50 C ATOM 2021 CG HIS A 657 6.837 -27.261 -14.145 1.00 61.01 C ATOM 2022 ND1 HIS A 657 7.933 -27.897 -14.738 1.00 70.01 N ATOM 2023 CD2 HIS A 657 7.127 -25.935 -14.227 1.00 32.15 C ATOM 2024 CE1 HIS A 657 8.791 -26.970 -15.150 1.00 33.03 C ATOM 2025 NE2 HIS A 657 8.322 -25.789 -14.850 1.00 23.14 N ATOM 0 H HIS A 657 6.171 -25.848 -11.603 1.00 74.33 H new ATOM 0 HA HIS A 657 4.172 -27.916 -12.080 1.00 33.10 H new ATOM 0 HB2 HIS A 657 5.840 -29.068 -13.675 1.00 13.50 H new ATOM 0 HB3 HIS A 657 4.797 -27.804 -14.294 1.00 13.50 H new ATOM 0 HD1 HIS A 657 8.053 -28.905 -14.838 1.00 70.01 H new ATOM 0 HD2 HIS A 657 6.508 -25.131 -13.857 1.00 32.15 H new ATOM 0 HE1 HIS A 657 9.727 -27.163 -15.653 1.00 33.03 H new ATOM 2033 N PRO A 658 5.477 -28.649 -9.958 1.00 20.51 N ATOM 2034 CA PRO A 658 6.071 -29.496 -8.914 1.00 20.01 C ATOM 2035 C PRO A 658 5.844 -30.988 -9.190 1.00 33.02 C ATOM 2036 O PRO A 658 5.658 -31.791 -8.277 1.00 61.40 O ATOM 2037 CB PRO A 658 5.309 -29.048 -7.669 1.00 41.34 C ATOM 2038 CG PRO A 658 3.968 -28.753 -8.172 1.00 61.20 C ATOM 2039 CD PRO A 658 4.202 -28.073 -9.489 1.00 60.32 C ATOM 0 HA PRO A 658 7.153 -29.390 -8.837 1.00 20.01 H new ATOM 0 HB2 PRO A 658 5.289 -29.829 -6.909 1.00 41.34 H new ATOM 0 HB3 PRO A 658 5.768 -28.171 -7.213 1.00 41.34 H new ATOM 0 HG2 PRO A 658 3.381 -29.663 -8.294 1.00 61.20 H new ATOM 0 HG3 PRO A 658 3.419 -28.109 -7.485 1.00 61.20 H new ATOM 0 HD2 PRO A 658 3.392 -28.270 -10.191 1.00 60.32 H new ATOM 0 HD3 PRO A 658 4.269 -26.991 -9.375 1.00 60.32 H new ATOM 2047 N LYS A 659 5.789 -31.319 -10.470 1.00 74.20 N ATOM 2048 CA LYS A 659 5.516 -32.665 -10.943 1.00 4.24 C ATOM 2049 C LYS A 659 6.124 -32.798 -12.320 1.00 1.45 C ATOM 2050 O LYS A 659 6.203 -31.814 -13.048 1.00 43.53 O ATOM 2051 CB LYS A 659 4.021 -32.902 -11.014 1.00 13.13 C ATOM 2052 CG LYS A 659 3.662 -34.355 -11.332 1.00 52.41 C ATOM 2053 CD LYS A 659 2.313 -34.734 -10.783 1.00 42.20 C ATOM 2054 CE LYS A 659 1.238 -34.136 -11.587 1.00 13.32 C ATOM 2055 NZ LYS A 659 1.120 -34.728 -13.012 1.00 34.40 N ATOM 0 H LYS A 659 5.936 -30.647 -11.223 1.00 74.20 H new ATOM 0 HA LYS A 659 5.943 -33.400 -10.261 1.00 4.24 H new ATOM 0 HB2 LYS A 659 3.568 -32.621 -10.063 1.00 13.13 H new ATOM 0 HB3 LYS A 659 3.591 -32.252 -11.776 1.00 13.13 H new ATOM 0 HG2 LYS A 659 3.669 -34.502 -12.412 1.00 52.41 H new ATOM 0 HG3 LYS A 659 4.422 -35.016 -10.915 1.00 52.41 H new ATOM 0 HD2 LYS A 659 2.209 -35.819 -10.777 1.00 42.20 H new ATOM 0 HD3 LYS A 659 2.229 -34.400 -9.749 1.00 42.20 H new ATOM 0 HE2 LYS A 659 0.290 -34.272 -11.067 1.00 13.32 H new ATOM 0 HE3 LYS A 659 1.408 -33.062 -11.663 1.00 13.32 H new ATOM 0 HZ1 LYS A 659 0.163 -34.557 -13.381 1.00 34.40 H new ATOM 0 HZ2 LYS A 659 1.818 -34.274 -13.635 1.00 34.40 H new ATOM 0 HZ3 LYS A 659 1.300 -35.752 -12.979 1.00 34.40 H new ATOM 2069 N LEU A 660 6.541 -34.004 -12.658 1.00 74.44 N ATOM 2070 CA LEU A 660 7.102 -34.312 -13.961 1.00 72.40 C ATOM 2071 C LEU A 660 6.429 -35.589 -14.413 1.00 13.40 C ATOM 2072 O LEU A 660 6.381 -36.554 -13.655 1.00 71.22 O ATOM 2073 CB LEU A 660 8.616 -34.522 -13.847 1.00 43.20 C ATOM 2074 CG LEU A 660 9.324 -35.033 -15.094 1.00 51.23 C ATOM 2075 CD1 LEU A 660 9.068 -34.100 -16.264 1.00 1.12 C ATOM 2076 CD2 LEU A 660 10.827 -35.182 -14.814 1.00 62.52 C ATOM 0 H LEU A 660 6.499 -34.806 -12.029 1.00 74.44 H new ATOM 0 HA LEU A 660 6.937 -33.501 -14.671 1.00 72.40 H new ATOM 0 HB2 LEU A 660 9.072 -33.574 -13.559 1.00 43.20 H new ATOM 0 HB3 LEU A 660 8.803 -35.225 -13.035 1.00 43.20 H new ATOM 0 HG LEU A 660 8.928 -36.013 -15.359 1.00 51.23 H new ATOM 0 HD11 LEU A 660 9.580 -34.477 -17.149 1.00 1.12 H new ATOM 0 HD12 LEU A 660 7.997 -34.047 -16.459 1.00 1.12 H new ATOM 0 HD13 LEU A 660 9.443 -33.105 -16.025 1.00 1.12 H new ATOM 0 HD21 LEU A 660 11.329 -35.548 -15.709 1.00 62.52 H new ATOM 0 HD22 LEU A 660 11.243 -34.214 -14.535 1.00 62.52 H new ATOM 0 HD23 LEU A 660 10.977 -35.890 -13.999 1.00 62.52 H new ATOM 2088 N GLU A 661 5.867 -35.563 -15.608 1.00 31.41 N ATOM 2089 CA GLU A 661 5.164 -36.701 -16.174 1.00 14.44 C ATOM 2090 C GLU A 661 6.113 -37.568 -16.979 1.00 24.42 C ATOM 2091 O GLU A 661 6.812 -37.063 -17.824 1.00 33.53 O ATOM 2092 CB GLU A 661 4.080 -36.179 -17.094 1.00 64.23 C ATOM 2093 CG GLU A 661 3.040 -37.191 -17.342 1.00 3.32 C ATOM 2094 CD GLU A 661 1.666 -36.775 -16.773 1.00 22.21 C ATOM 2095 OE1 GLU A 661 1.611 -35.989 -15.776 1.00 12.31 O ATOM 2096 OE2 GLU A 661 0.655 -37.324 -17.244 1.00 13.54 O ATOM 0 H GLU A 661 5.886 -34.746 -16.218 1.00 31.41 H new ATOM 0 HA GLU A 661 4.740 -37.300 -15.368 1.00 14.44 H new ATOM 0 HB2 GLU A 661 3.626 -35.291 -16.654 1.00 64.23 H new ATOM 0 HB3 GLU A 661 4.523 -35.874 -18.042 1.00 64.23 H new ATOM 0 HG2 GLU A 661 2.950 -37.360 -18.415 1.00 3.32 H new ATOM 0 HG3 GLU A 661 3.344 -38.137 -16.895 1.00 3.32 H new ATOM 2103 N VAL A 662 6.155 -38.857 -16.702 1.00 32.41 N ATOM 2104 CA VAL A 662 7.121 -39.782 -17.298 1.00 43.11 C ATOM 2105 C VAL A 662 6.377 -40.850 -18.042 1.00 71.54 C ATOM 2106 O VAL A 662 5.420 -41.443 -17.545 1.00 23.22 O ATOM 2107 CB VAL A 662 7.991 -40.479 -16.213 1.00 4.13 C ATOM 2108 CG1 VAL A 662 9.285 -41.069 -16.736 1.00 64.23 C ATOM 2109 CG2 VAL A 662 8.109 -39.648 -14.921 1.00 40.13 C ATOM 0 H VAL A 662 5.513 -39.305 -16.048 1.00 32.41 H new ATOM 0 HA VAL A 662 7.770 -39.207 -17.959 1.00 43.11 H new ATOM 0 HB VAL A 662 7.439 -41.368 -15.910 1.00 4.13 H new ATOM 0 HG11 VAL A 662 9.830 -41.535 -15.915 1.00 64.23 H new ATOM 0 HG12 VAL A 662 9.062 -41.818 -17.496 1.00 64.23 H new ATOM 0 HG13 VAL A 662 9.895 -40.278 -17.174 1.00 64.23 H new ATOM 0 HG21 VAL A 662 8.727 -40.183 -14.200 1.00 40.13 H new ATOM 0 HG22 VAL A 662 8.567 -38.685 -15.148 1.00 40.13 H new ATOM 0 HG23 VAL A 662 7.117 -39.487 -14.500 1.00 40.13 H new ATOM 2119 N ILE A 663 6.855 -41.085 -19.244 1.00 2.12 N ATOM 2120 CA ILE A 663 6.342 -42.109 -20.115 1.00 74.43 C ATOM 2121 C ILE A 663 7.439 -43.152 -20.152 1.00 43.55 C ATOM 2122 O ILE A 663 8.606 -42.801 -20.350 1.00 13.35 O ATOM 2123 CB ILE A 663 6.101 -41.522 -21.527 1.00 1.42 C ATOM 2124 CG1 ILE A 663 4.910 -40.542 -21.497 1.00 10.30 C ATOM 2125 CG2 ILE A 663 5.906 -42.627 -22.560 1.00 33.21 C ATOM 2126 CD1 ILE A 663 3.525 -41.207 -21.453 1.00 10.23 C ATOM 0 H ILE A 663 7.628 -40.556 -19.648 1.00 2.12 H new ATOM 0 HA ILE A 663 5.392 -42.522 -19.775 1.00 74.43 H new ATOM 0 HB ILE A 663 6.987 -40.964 -21.830 1.00 1.42 H new ATOM 0 HG12 ILE A 663 5.013 -39.894 -20.627 1.00 10.30 H new ATOM 0 HG13 ILE A 663 4.962 -39.903 -22.378 1.00 10.30 H new ATOM 0 HG21 ILE A 663 5.739 -42.183 -23.541 1.00 33.21 H new ATOM 0 HG22 ILE A 663 6.796 -43.255 -22.593 1.00 33.21 H new ATOM 0 HG23 ILE A 663 5.043 -43.234 -22.285 1.00 33.21 H new ATOM 0 HD11 ILE A 663 2.753 -40.438 -21.434 1.00 10.23 H new ATOM 0 HD12 ILE A 663 3.393 -41.832 -22.336 1.00 10.23 H new ATOM 0 HD13 ILE A 663 3.445 -41.823 -20.557 1.00 10.23 H new ATOM 2138 N ILE A 664 7.086 -44.407 -19.939 1.00 44.50 N ATOM 2139 CA ILE A 664 8.050 -45.499 -20.050 1.00 54.41 C ATOM 2140 C ILE A 664 7.866 -46.059 -21.466 1.00 13.03 C ATOM 2141 O ILE A 664 6.744 -46.349 -21.885 1.00 61.44 O ATOM 2142 CB ILE A 664 7.846 -46.561 -18.944 1.00 22.25 C ATOM 2143 CG1 ILE A 664 7.930 -45.872 -17.557 1.00 21.13 C ATOM 2144 CG2 ILE A 664 8.913 -47.680 -19.075 1.00 64.15 C ATOM 2145 CD1 ILE A 664 7.694 -46.777 -16.345 1.00 52.42 C ATOM 0 H ILE A 664 6.142 -44.700 -19.688 1.00 44.50 H new ATOM 0 HA ILE A 664 9.074 -45.157 -19.901 1.00 54.41 H new ATOM 0 HB ILE A 664 6.864 -47.022 -19.051 1.00 22.25 H new ATOM 0 HG12 ILE A 664 8.915 -45.415 -17.459 1.00 21.13 H new ATOM 0 HG13 ILE A 664 7.200 -45.063 -17.530 1.00 21.13 H new ATOM 0 HG21 ILE A 664 8.760 -48.422 -18.291 1.00 64.15 H new ATOM 0 HG22 ILE A 664 8.821 -48.158 -20.050 1.00 64.15 H new ATOM 0 HG23 ILE A 664 9.908 -47.247 -18.975 1.00 64.15 H new ATOM 0 HD11 ILE A 664 7.777 -46.189 -15.431 1.00 52.42 H new ATOM 0 HD12 ILE A 664 6.698 -47.215 -16.406 1.00 52.42 H new ATOM 0 HD13 ILE A 664 8.439 -47.572 -16.334 1.00 52.42 H new