USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 533 THR OG1 : rot -112:sc= 0.133 USER MOD Set 1.2: A 657 HIS :FLIP no HD1:sc= -0.36 F(o=-1.4,f=-0.23) USER MOD Set 2.1: A 555 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 556 SER OG : rot 180:sc= 0.00595 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.0527 USER MOD Single : A 538 THR OG1 : rot -24:sc= 0.543 USER MOD Single : A 540 HIS : no HD1:sc=-0.00493 X(o=-0.0049,f=-0.041) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot -58:sc= 0.966 USER MOD Single : A 548 MET CE :methyl 139:sc= -0.721 (180deg=-4.57!) USER MOD Single : A 551 LYS NZ :NH3+ 172:sc= 0.594 (180deg=0.427) USER MOD Single : A 561 THR OG1 : rot 94:sc= 1.27 USER MOD Single : A 568 THR OG1 : rot 90:sc= 2.12 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ -148:sc= -0.392 (180deg=-2.12!) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 171:sc= 1.49 (180deg=1.4) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ 180:sc= 0.557 (180deg=0.557) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -158:sc= 0.799 (180deg=0.0416) USER MOD Single : A 613 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.2) USER MOD Single : A 622 LYS NZ :NH3+ -173:sc= 1.24 (180deg=1.14) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 179:sc= 1.41 (180deg=1.41) USER MOD Single : A 659 LYS NZ :NH3+ -106:sc= 0.582 (180deg=0.0667) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.967 -18.267 2.116 1.00 63.42 N ATOM 19 CA ALA A 529 11.538 -19.521 1.616 1.00 21.32 C ATOM 20 C ALA A 529 11.189 -19.721 0.130 1.00 12.43 C ATOM 21 O ALA A 529 10.178 -19.210 -0.347 1.00 11.22 O ATOM 22 CB ALA A 529 11.011 -20.678 2.432 1.00 62.35 C ATOM 0 HA ALA A 529 12.623 -19.476 1.710 1.00 21.32 H new ATOM 0 HB1 ALA A 529 11.436 -21.610 2.059 1.00 62.35 H new ATOM 0 HB2 ALA A 529 11.291 -20.544 3.477 1.00 62.35 H new ATOM 0 HB3 ALA A 529 9.925 -20.716 2.350 1.00 62.35 H new ATOM 28 N GLY A 530 12.026 -20.453 -0.599 1.00 0.41 N ATOM 29 CA GLY A 530 11.811 -20.610 -2.023 1.00 0.13 C ATOM 30 C GLY A 530 10.650 -21.484 -2.456 1.00 12.01 C ATOM 31 O GLY A 530 10.160 -22.334 -1.726 1.00 21.33 O ATOM 0 H GLY A 530 12.844 -20.937 -0.230 1.00 0.41 H new ATOM 0 HA2 GLY A 530 11.667 -19.619 -2.454 1.00 0.13 H new ATOM 0 HA3 GLY A 530 12.723 -21.018 -2.459 1.00 0.13 H new ATOM 35 N ILE A 531 10.267 -21.277 -3.705 1.00 43.41 N ATOM 36 CA ILE A 531 9.295 -22.099 -4.407 1.00 72.34 C ATOM 37 C ILE A 531 10.113 -23.248 -4.968 1.00 73.11 C ATOM 38 O ILE A 531 11.260 -23.028 -5.364 1.00 75.20 O ATOM 39 CB ILE A 531 8.632 -21.289 -5.583 1.00 12.52 C ATOM 40 CG1 ILE A 531 7.406 -20.523 -5.065 1.00 13.20 C ATOM 41 CG2 ILE A 531 8.192 -22.187 -6.725 1.00 23.22 C ATOM 42 CD1 ILE A 531 7.716 -19.190 -4.362 1.00 73.23 C ATOM 0 H ILE A 531 10.633 -20.513 -4.273 1.00 43.41 H new ATOM 0 HA ILE A 531 8.487 -22.431 -3.756 1.00 72.34 H new ATOM 0 HB ILE A 531 9.388 -20.600 -5.959 1.00 12.52 H new ATOM 0 HG12 ILE A 531 6.739 -20.326 -5.904 1.00 13.20 H new ATOM 0 HG13 ILE A 531 6.864 -21.164 -4.370 1.00 13.20 H new ATOM 0 HG21 ILE A 531 7.741 -21.581 -7.511 1.00 23.22 H new ATOM 0 HG22 ILE A 531 9.057 -22.716 -7.126 1.00 23.22 H new ATOM 0 HG23 ILE A 531 7.462 -22.909 -6.359 1.00 23.22 H new ATOM 0 HD11 ILE A 531 6.786 -18.727 -4.034 1.00 73.23 H new ATOM 0 HD12 ILE A 531 8.354 -19.374 -3.498 1.00 73.23 H new ATOM 0 HD13 ILE A 531 8.228 -18.523 -5.056 1.00 73.23 H new ATOM 54 N PHE A 532 9.535 -24.441 -5.014 1.00 60.42 N ATOM 55 CA PHE A 532 10.201 -25.609 -5.586 1.00 71.22 C ATOM 56 C PHE A 532 9.370 -26.147 -6.725 1.00 13.12 C ATOM 57 O PHE A 532 8.139 -26.191 -6.639 1.00 61.04 O ATOM 58 CB PHE A 532 10.369 -26.683 -4.531 1.00 31.10 C ATOM 59 CG PHE A 532 11.144 -26.217 -3.340 1.00 32.43 C ATOM 60 CD1 PHE A 532 10.488 -25.633 -2.244 1.00 25.11 C ATOM 61 CD2 PHE A 532 12.543 -26.318 -3.320 1.00 34.43 C ATOM 62 CE1 PHE A 532 11.221 -25.151 -1.142 1.00 3.54 C ATOM 63 CE2 PHE A 532 13.283 -25.831 -2.222 1.00 72.01 C ATOM 64 CZ PHE A 532 12.624 -25.248 -1.135 1.00 14.45 C ATOM 0 H PHE A 532 8.597 -24.628 -4.659 1.00 60.42 H new ATOM 0 HA PHE A 532 11.185 -25.317 -5.952 1.00 71.22 H new ATOM 0 HB2 PHE A 532 9.385 -27.023 -4.207 1.00 31.10 H new ATOM 0 HB3 PHE A 532 10.874 -27.542 -4.972 1.00 31.10 H new ATOM 0 HD1 PHE A 532 9.411 -25.553 -2.246 1.00 25.11 H new ATOM 0 HD2 PHE A 532 13.058 -26.773 -4.153 1.00 34.43 H new ATOM 0 HE1 PHE A 532 10.706 -24.707 -0.303 1.00 3.54 H new ATOM 0 HE2 PHE A 532 14.360 -25.909 -2.221 1.00 72.01 H new ATOM 0 HZ PHE A 532 13.190 -24.874 -0.294 1.00 14.45 H new ATOM 74 N THR A 533 10.036 -26.522 -7.799 1.00 52.33 N ATOM 75 CA THR A 533 9.368 -26.941 -9.021 1.00 52.02 C ATOM 76 C THR A 533 10.362 -27.859 -9.746 1.00 0.02 C ATOM 77 O THR A 533 11.528 -27.932 -9.347 1.00 61.33 O ATOM 78 CB THR A 533 8.975 -25.680 -9.848 1.00 63.31 C ATOM 79 OG1 THR A 533 8.100 -26.042 -10.916 1.00 53.53 O ATOM 80 CG2 THR A 533 10.176 -24.992 -10.404 1.00 55.41 C ATOM 0 H THR A 533 11.054 -26.546 -7.852 1.00 52.33 H new ATOM 0 HA THR A 533 8.439 -27.484 -8.844 1.00 52.02 H new ATOM 0 HB THR A 533 8.467 -24.992 -9.173 1.00 63.31 H new ATOM 0 HG1 THR A 533 8.562 -25.924 -11.772 1.00 53.53 H new ATOM 0 HG21 THR A 533 9.863 -24.118 -10.974 1.00 55.41 H new ATOM 0 HG22 THR A 533 10.826 -24.679 -9.587 1.00 55.41 H new ATOM 0 HG23 THR A 533 10.718 -25.676 -11.057 1.00 55.41 H new ATOM 88 N PHE A 534 9.919 -28.586 -10.757 1.00 42.34 N ATOM 89 CA PHE A 534 10.794 -29.505 -11.496 1.00 72.53 C ATOM 90 C PHE A 534 11.238 -28.847 -12.781 1.00 62.23 C ATOM 91 O PHE A 534 10.818 -27.753 -13.099 1.00 23.13 O ATOM 92 CB PHE A 534 10.050 -30.800 -11.819 1.00 25.22 C ATOM 93 CG PHE A 534 9.810 -31.707 -10.630 1.00 43.24 C ATOM 94 CD1 PHE A 534 10.308 -31.449 -9.336 1.00 3.23 C ATOM 95 CD2 PHE A 534 9.087 -32.869 -10.838 1.00 61.02 C ATOM 96 CE1 PHE A 534 10.047 -32.362 -8.279 1.00 14.30 C ATOM 97 CE2 PHE A 534 8.825 -33.781 -9.814 1.00 44.34 C ATOM 98 CZ PHE A 534 9.283 -33.535 -8.534 1.00 5.51 C ATOM 0 H PHE A 534 8.956 -28.564 -11.093 1.00 42.34 H new ATOM 0 HA PHE A 534 11.662 -29.741 -10.881 1.00 72.53 H new ATOM 0 HB2 PHE A 534 9.088 -30.548 -12.266 1.00 25.22 H new ATOM 0 HB3 PHE A 534 10.617 -31.351 -12.570 1.00 25.22 H new ATOM 0 HD1 PHE A 534 10.888 -30.557 -9.148 1.00 3.23 H new ATOM 0 HD2 PHE A 534 8.712 -33.078 -11.829 1.00 61.02 H new ATOM 0 HE1 PHE A 534 10.427 -32.167 -7.287 1.00 14.30 H new ATOM 0 HE2 PHE A 534 8.264 -34.680 -10.023 1.00 44.34 H new ATOM 0 HZ PHE A 534 9.063 -34.227 -7.734 1.00 5.51 H new ATOM 108 N GLU A 535 12.110 -29.526 -13.500 1.00 65.21 N ATOM 109 CA GLU A 535 12.635 -29.027 -14.773 1.00 44.03 C ATOM 110 C GLU A 535 11.548 -28.872 -15.837 1.00 31.04 C ATOM 111 O GLU A 535 11.478 -27.860 -16.521 1.00 11.21 O ATOM 112 CB GLU A 535 13.669 -30.025 -15.276 1.00 4.14 C ATOM 113 CG GLU A 535 15.017 -29.917 -14.597 1.00 61.35 C ATOM 114 CD GLU A 535 15.983 -30.977 -15.088 1.00 42.53 C ATOM 115 OE1 GLU A 535 15.723 -32.179 -14.845 1.00 30.53 O ATOM 116 OE2 GLU A 535 17.045 -30.627 -15.650 1.00 60.13 O ATOM 0 H GLU A 535 12.479 -30.437 -13.227 1.00 65.21 H new ATOM 0 HA GLU A 535 13.065 -28.041 -14.600 1.00 44.03 H new ATOM 0 HB2 GLU A 535 13.283 -31.034 -15.133 1.00 4.14 H new ATOM 0 HB3 GLU A 535 13.803 -29.883 -16.348 1.00 4.14 H new ATOM 0 HG2 GLU A 535 15.438 -28.929 -14.781 1.00 61.35 H new ATOM 0 HG3 GLU A 535 14.889 -30.013 -13.519 1.00 61.35 H new ATOM 123 N CYS A 536 10.717 -29.893 -15.965 1.00 62.21 N ATOM 124 CA CYS A 536 9.645 -29.927 -16.955 1.00 32.22 C ATOM 125 C CYS A 536 8.515 -30.672 -16.272 1.00 54.34 C ATOM 126 O CYS A 536 8.698 -31.144 -15.156 1.00 42.21 O ATOM 127 CB CYS A 536 10.083 -30.710 -18.204 1.00 74.54 C ATOM 128 SG CYS A 536 11.516 -30.023 -19.070 1.00 22.22 S ATOM 0 H CYS A 536 10.765 -30.729 -15.382 1.00 62.21 H new ATOM 0 HA CYS A 536 9.364 -28.925 -17.280 1.00 32.22 H new ATOM 0 HB2 CYS A 536 10.311 -31.735 -17.911 1.00 74.54 H new ATOM 0 HB3 CYS A 536 9.244 -30.756 -18.899 1.00 74.54 H new ATOM 0 HG CYS A 536 11.796 -30.763 -20.102 1.00 22.22 H new ATOM 134 N ASP A 537 7.400 -30.857 -16.967 1.00 21.12 N ATOM 135 CA ASP A 537 6.320 -31.718 -16.472 1.00 22.30 C ATOM 136 C ASP A 537 6.018 -32.803 -17.513 1.00 31.21 C ATOM 137 O ASP A 537 4.911 -33.293 -17.591 1.00 55.12 O ATOM 138 CB ASP A 537 5.057 -30.914 -16.117 1.00 34.23 C ATOM 139 CG ASP A 537 4.136 -31.645 -15.099 1.00 2.05 C ATOM 140 OD1 ASP A 537 4.327 -32.853 -14.816 1.00 4.24 O ATOM 141 OD2 ASP A 537 3.211 -30.987 -14.568 1.00 53.04 O ATOM 0 H ASP A 537 7.215 -30.426 -17.873 1.00 21.12 H new ATOM 0 HA ASP A 537 6.651 -32.191 -15.548 1.00 22.30 H new ATOM 0 HB2 ASP A 537 5.352 -29.949 -15.704 1.00 34.23 H new ATOM 0 HB3 ASP A 537 4.494 -30.712 -17.028 1.00 34.23 H new ATOM 146 N THR A 538 7.018 -33.178 -18.312 1.00 41.03 N ATOM 147 CA THR A 538 6.935 -34.340 -19.198 1.00 4.20 C ATOM 148 C THR A 538 8.356 -34.868 -19.494 1.00 42.43 C ATOM 149 O THR A 538 9.283 -34.079 -19.711 1.00 53.21 O ATOM 150 CB THR A 538 6.266 -34.005 -20.519 1.00 24.51 C ATOM 151 OG1 THR A 538 5.076 -33.250 -20.272 1.00 75.31 O ATOM 152 CG2 THR A 538 5.851 -35.278 -21.259 1.00 20.01 C ATOM 0 H THR A 538 7.909 -32.684 -18.363 1.00 41.03 H new ATOM 0 HA THR A 538 6.335 -35.093 -18.687 1.00 4.20 H new ATOM 0 HB THR A 538 6.978 -33.440 -21.120 1.00 24.51 H new ATOM 0 HG1 THR A 538 4.754 -33.434 -19.365 1.00 75.31 H new ATOM 0 HG21 THR A 538 5.374 -35.011 -22.202 1.00 20.01 H new ATOM 0 HG22 THR A 538 6.733 -35.887 -21.458 1.00 20.01 H new ATOM 0 HG23 THR A 538 5.150 -35.844 -20.645 1.00 20.01 H new ATOM 160 N ILE A 539 8.509 -36.184 -19.467 1.00 71.32 N ATOM 161 CA ILE A 539 9.769 -36.889 -19.726 1.00 22.13 C ATOM 162 C ILE A 539 9.433 -38.281 -20.299 1.00 21.13 C ATOM 163 O ILE A 539 8.333 -38.793 -20.092 1.00 61.41 O ATOM 164 CB ILE A 539 10.591 -37.025 -18.387 1.00 13.43 C ATOM 165 CG1 ILE A 539 12.017 -37.545 -18.635 1.00 4.02 C ATOM 166 CG2 ILE A 539 9.815 -37.882 -17.326 1.00 33.43 C ATOM 167 CD1 ILE A 539 12.265 -38.970 -18.146 1.00 43.03 C ATOM 0 H ILE A 539 7.737 -36.817 -19.258 1.00 71.32 H new ATOM 0 HA ILE A 539 10.376 -36.334 -20.441 1.00 22.13 H new ATOM 0 HB ILE A 539 10.702 -36.025 -17.968 1.00 13.43 H new ATOM 0 HG12 ILE A 539 12.226 -37.500 -19.704 1.00 4.02 H new ATOM 0 HG13 ILE A 539 12.724 -36.877 -18.143 1.00 4.02 H new ATOM 0 HG21 ILE A 539 10.408 -37.957 -16.415 1.00 33.43 H new ATOM 0 HG22 ILE A 539 8.861 -37.405 -17.100 1.00 33.43 H new ATOM 0 HG23 ILE A 539 9.636 -38.880 -17.725 1.00 33.43 H new ATOM 0 HD11 ILE A 539 13.295 -39.255 -18.361 1.00 43.03 H new ATOM 0 HD12 ILE A 539 12.092 -39.021 -17.071 1.00 43.03 H new ATOM 0 HD13 ILE A 539 11.586 -39.653 -18.656 1.00 43.03 H new ATOM 179 N HIS A 540 10.389 -38.914 -20.966 1.00 0.33 N ATOM 180 CA HIS A 540 10.258 -40.314 -21.381 1.00 61.31 C ATOM 181 C HIS A 540 11.449 -41.103 -20.857 1.00 25.14 C ATOM 182 O HIS A 540 12.593 -40.724 -21.110 1.00 64.42 O ATOM 183 CB HIS A 540 10.228 -40.451 -22.903 1.00 22.54 C ATOM 184 CG HIS A 540 8.876 -40.229 -23.500 1.00 14.32 C ATOM 185 ND1 HIS A 540 8.226 -41.171 -24.299 1.00 55.12 N ATOM 186 CD2 HIS A 540 8.010 -39.187 -23.422 1.00 54.52 C ATOM 187 CE1 HIS A 540 7.047 -40.684 -24.659 1.00 51.33 C ATOM 188 NE2 HIS A 540 6.903 -39.490 -24.148 1.00 40.25 N ATOM 0 H HIS A 540 11.272 -38.480 -21.235 1.00 0.33 H new ATOM 0 HA HIS A 540 9.321 -40.695 -20.976 1.00 61.31 H new ATOM 0 HB2 HIS A 540 10.929 -39.738 -23.337 1.00 22.54 H new ATOM 0 HB3 HIS A 540 10.577 -41.447 -23.176 1.00 22.54 H new ATOM 0 HD2 HIS A 540 8.174 -38.271 -22.874 1.00 54.52 H new ATOM 0 HE1 HIS A 540 6.321 -41.193 -25.276 1.00 51.33 H new ATOM 0 HE2 HIS A 540 6.092 -38.885 -24.274 1.00 40.25 H new ATOM 196 N VAL A 541 11.186 -42.204 -20.171 1.00 45.34 N ATOM 197 CA VAL A 541 12.249 -43.165 -19.799 1.00 12.21 C ATOM 198 C VAL A 541 11.956 -44.494 -20.473 1.00 61.11 C ATOM 199 O VAL A 541 10.941 -44.661 -21.133 1.00 21.34 O ATOM 200 CB VAL A 541 12.383 -43.425 -18.246 1.00 74.43 C ATOM 201 CG1 VAL A 541 12.808 -42.185 -17.520 1.00 74.03 C ATOM 202 CG2 VAL A 541 11.078 -43.964 -17.638 1.00 12.12 C ATOM 0 H VAL A 541 10.253 -42.467 -19.855 1.00 45.34 H new ATOM 0 HA VAL A 541 13.189 -42.721 -20.126 1.00 12.21 H new ATOM 0 HB VAL A 541 13.154 -44.186 -18.124 1.00 74.43 H new ATOM 0 HG11 VAL A 541 12.891 -42.398 -16.454 1.00 74.03 H new ATOM 0 HG12 VAL A 541 13.774 -41.854 -17.900 1.00 74.03 H new ATOM 0 HG13 VAL A 541 12.068 -41.400 -17.677 1.00 74.03 H new ATOM 0 HG21 VAL A 541 11.215 -44.128 -16.569 1.00 12.12 H new ATOM 0 HG22 VAL A 541 10.278 -43.240 -17.794 1.00 12.12 H new ATOM 0 HG23 VAL A 541 10.814 -44.906 -18.119 1.00 12.12 H new ATOM 212 N SER A 542 12.828 -45.458 -20.223 1.00 30.21 N ATOM 213 CA SER A 542 12.626 -46.845 -20.604 1.00 75.32 C ATOM 214 C SER A 542 12.851 -47.574 -19.295 1.00 41.03 C ATOM 215 O SER A 542 13.500 -47.026 -18.424 1.00 22.35 O ATOM 216 CB SER A 542 13.667 -47.268 -21.639 1.00 31.02 C ATOM 217 OG SER A 542 13.554 -46.479 -22.810 1.00 71.41 O ATOM 0 H SER A 542 13.712 -45.294 -19.741 1.00 30.21 H new ATOM 0 HA SER A 542 11.653 -47.043 -21.054 1.00 75.32 H new ATOM 0 HB2 SER A 542 14.668 -47.165 -21.220 1.00 31.02 H new ATOM 0 HB3 SER A 542 13.533 -48.321 -21.889 1.00 31.02 H new ATOM 0 HG SER A 542 14.229 -46.762 -23.462 1.00 71.41 H new ATOM 223 N GLU A 543 12.359 -48.788 -19.151 1.00 74.13 N ATOM 224 CA GLU A 543 12.592 -49.593 -17.942 1.00 21.12 C ATOM 225 C GLU A 543 14.082 -49.844 -17.771 1.00 12.32 C ATOM 226 O GLU A 543 14.611 -49.895 -16.659 1.00 50.21 O ATOM 227 CB GLU A 543 11.874 -50.957 -18.023 1.00 62.53 C ATOM 228 CG GLU A 543 11.187 -51.284 -19.364 1.00 31.31 C ATOM 229 CD GLU A 543 12.147 -51.265 -20.560 1.00 42.35 C ATOM 230 OE1 GLU A 543 13.191 -51.948 -20.540 1.00 25.52 O ATOM 231 OE2 GLU A 543 11.929 -50.403 -21.442 1.00 50.12 O ATOM 0 H GLU A 543 11.788 -49.253 -19.857 1.00 74.13 H new ATOM 0 HA GLU A 543 12.195 -49.035 -17.094 1.00 21.12 H new ATOM 0 HB2 GLU A 543 12.601 -51.741 -17.810 1.00 62.53 H new ATOM 0 HB3 GLU A 543 11.123 -50.997 -17.234 1.00 62.53 H new ATOM 0 HG2 GLU A 543 10.723 -52.268 -19.296 1.00 31.31 H new ATOM 0 HG3 GLU A 543 10.386 -50.565 -19.539 1.00 31.31 H new ATOM 238 N SER A 544 14.752 -49.933 -18.907 1.00 32.25 N ATOM 239 CA SER A 544 16.177 -50.217 -19.000 1.00 2.15 C ATOM 240 C SER A 544 17.058 -49.145 -18.364 1.00 60.44 C ATOM 241 O SER A 544 18.262 -49.333 -18.209 1.00 0.43 O ATOM 242 CB SER A 544 16.526 -50.345 -20.478 1.00 61.24 C ATOM 243 OG SER A 544 15.340 -50.304 -21.262 1.00 31.14 O ATOM 0 H SER A 544 14.309 -49.806 -19.817 1.00 32.25 H new ATOM 0 HA SER A 544 16.372 -51.136 -18.447 1.00 2.15 H new ATOM 0 HB2 SER A 544 17.196 -49.537 -20.774 1.00 61.24 H new ATOM 0 HB3 SER A 544 17.057 -51.280 -20.655 1.00 61.24 H new ATOM 0 HG SER A 544 14.739 -51.026 -20.984 1.00 31.14 H new ATOM 249 N ILE A 545 16.457 -48.027 -17.988 1.00 4.41 N ATOM 250 CA ILE A 545 17.175 -46.967 -17.301 1.00 74.34 C ATOM 251 C ILE A 545 17.558 -47.413 -15.886 1.00 23.05 C ATOM 252 O ILE A 545 18.514 -46.900 -15.292 1.00 40.25 O ATOM 253 CB ILE A 545 16.303 -45.690 -17.225 1.00 15.01 C ATOM 254 CG1 ILE A 545 17.201 -44.481 -16.951 1.00 10.12 C ATOM 255 CG2 ILE A 545 15.161 -45.842 -16.165 1.00 51.34 C ATOM 256 CD1 ILE A 545 16.457 -43.224 -16.709 1.00 33.31 C ATOM 0 H ILE A 545 15.469 -47.831 -18.148 1.00 4.41 H new ATOM 0 HA ILE A 545 18.083 -46.747 -17.863 1.00 74.34 H new ATOM 0 HB ILE A 545 15.805 -45.533 -18.182 1.00 15.01 H new ATOM 0 HG12 ILE A 545 17.826 -44.694 -16.084 1.00 10.12 H new ATOM 0 HG13 ILE A 545 17.870 -44.338 -17.799 1.00 10.12 H new ATOM 0 HG21 ILE A 545 14.567 -44.928 -16.136 1.00 51.34 H new ATOM 0 HG22 ILE A 545 14.522 -46.682 -16.437 1.00 51.34 H new ATOM 0 HG23 ILE A 545 15.598 -46.022 -15.183 1.00 51.34 H new ATOM 0 HD11 ILE A 545 17.162 -42.414 -16.523 1.00 33.31 H new ATOM 0 HD12 ILE A 545 15.852 -42.985 -17.584 1.00 33.31 H new ATOM 0 HD13 ILE A 545 15.808 -43.347 -15.842 1.00 33.31 H new ATOM 268 N GLY A 546 16.802 -48.348 -15.323 1.00 63.14 N ATOM 269 CA GLY A 546 17.069 -48.786 -13.973 1.00 21.33 C ATOM 270 C GLY A 546 16.348 -47.929 -12.965 1.00 43.32 C ATOM 271 O GLY A 546 15.422 -48.365 -12.304 1.00 63.42 O ATOM 0 H GLY A 546 16.013 -48.807 -15.778 1.00 63.14 H new ATOM 0 HA2 GLY A 546 16.759 -49.825 -13.858 1.00 21.33 H new ATOM 0 HA3 GLY A 546 18.142 -48.750 -13.783 1.00 21.33 H new ATOM 275 N VAL A 547 16.775 -46.684 -12.843 1.00 22.22 N ATOM 276 CA VAL A 547 16.151 -45.751 -11.913 1.00 23.51 C ATOM 277 C VAL A 547 16.122 -44.359 -12.531 1.00 1.14 C ATOM 278 O VAL A 547 17.131 -43.835 -13.000 1.00 72.05 O ATOM 279 CB VAL A 547 16.856 -45.784 -10.508 1.00 53.52 C ATOM 280 CG1 VAL A 547 18.371 -45.848 -10.632 1.00 24.43 C ATOM 281 CG2 VAL A 547 16.460 -44.593 -9.654 1.00 23.14 C ATOM 0 H VAL A 547 17.552 -46.293 -13.376 1.00 22.22 H new ATOM 0 HA VAL A 547 15.120 -46.055 -11.732 1.00 23.51 H new ATOM 0 HB VAL A 547 16.514 -46.695 -10.016 1.00 53.52 H new ATOM 0 HG11 VAL A 547 18.817 -45.869 -9.638 1.00 24.43 H new ATOM 0 HG12 VAL A 547 18.654 -46.749 -11.176 1.00 24.43 H new ATOM 0 HG13 VAL A 547 18.729 -44.971 -11.172 1.00 24.43 H new ATOM 0 HG21 VAL A 547 16.967 -44.651 -8.691 1.00 23.14 H new ATOM 0 HG22 VAL A 547 16.746 -43.671 -10.160 1.00 23.14 H new ATOM 0 HG23 VAL A 547 15.381 -44.601 -9.497 1.00 23.14 H new ATOM 291 N MET A 548 14.926 -43.799 -12.569 1.00 23.14 N ATOM 292 CA MET A 548 14.672 -42.493 -13.152 1.00 60.13 C ATOM 293 C MET A 548 15.020 -41.396 -12.153 1.00 13.01 C ATOM 294 O MET A 548 14.995 -41.629 -10.940 1.00 52.42 O ATOM 295 CB MET A 548 13.204 -42.409 -13.587 1.00 44.30 C ATOM 296 CG MET A 548 12.231 -41.989 -12.479 1.00 32.33 C ATOM 297 SD MET A 548 12.072 -40.204 -12.317 1.00 33.33 S ATOM 298 CE MET A 548 11.489 -39.765 -13.964 1.00 65.50 C ATOM 0 H MET A 548 14.091 -44.245 -12.190 1.00 23.14 H new ATOM 0 HA MET A 548 15.302 -42.352 -14.030 1.00 60.13 H new ATOM 0 HB2 MET A 548 13.123 -41.700 -14.411 1.00 44.30 H new ATOM 0 HB3 MET A 548 12.897 -43.381 -13.972 1.00 44.30 H new ATOM 0 HG2 MET A 548 11.250 -42.418 -12.684 1.00 32.33 H new ATOM 0 HG3 MET A 548 12.569 -42.405 -11.530 1.00 32.33 H new ATOM 0 HE1 MET A 548 10.712 -39.005 -13.884 1.00 65.50 H new ATOM 0 HE2 MET A 548 12.320 -39.375 -14.552 1.00 65.50 H new ATOM 0 HE3 MET A 548 11.082 -40.650 -14.454 1.00 65.50 H new ATOM 308 N GLU A 549 15.363 -40.216 -12.653 1.00 45.02 N ATOM 309 CA GLU A 549 15.631 -39.064 -11.797 1.00 54.44 C ATOM 310 C GLU A 549 15.008 -37.795 -12.348 1.00 33.33 C ATOM 311 O GLU A 549 15.075 -37.528 -13.547 1.00 1.11 O ATOM 312 CB GLU A 549 17.138 -38.817 -11.606 1.00 44.04 C ATOM 313 CG GLU A 549 17.516 -38.635 -10.163 1.00 23.12 C ATOM 314 CD GLU A 549 19.028 -38.628 -9.913 1.00 24.12 C ATOM 315 OE1 GLU A 549 19.820 -38.700 -10.871 1.00 72.21 O ATOM 316 OE2 GLU A 549 19.425 -38.612 -8.724 1.00 62.42 O ATOM 0 H GLU A 549 15.463 -40.030 -13.651 1.00 45.02 H new ATOM 0 HA GLU A 549 15.182 -39.307 -10.834 1.00 54.44 H new ATOM 0 HB2 GLU A 549 17.695 -39.657 -12.020 1.00 44.04 H new ATOM 0 HB3 GLU A 549 17.431 -37.931 -12.169 1.00 44.04 H new ATOM 0 HG2 GLU A 549 17.094 -37.697 -9.803 1.00 23.12 H new ATOM 0 HG3 GLU A 549 17.064 -39.434 -9.576 1.00 23.12 H new ATOM 323 N VAL A 550 14.470 -36.982 -11.452 1.00 33.54 N ATOM 324 CA VAL A 550 14.001 -35.640 -11.798 1.00 11.00 C ATOM 325 C VAL A 550 14.873 -34.717 -11.003 1.00 5.55 C ATOM 326 O VAL A 550 15.225 -35.030 -9.867 1.00 64.12 O ATOM 327 CB VAL A 550 12.484 -35.396 -11.448 1.00 24.10 C ATOM 328 CG1 VAL A 550 11.743 -36.680 -11.503 1.00 71.15 C ATOM 329 CG2 VAL A 550 12.285 -34.742 -10.071 1.00 74.01 C ATOM 0 H VAL A 550 14.345 -37.227 -10.470 1.00 33.54 H new ATOM 0 HA VAL A 550 14.066 -35.481 -12.874 1.00 11.00 H new ATOM 0 HB VAL A 550 12.094 -34.701 -12.192 1.00 24.10 H new ATOM 0 HG11 VAL A 550 10.695 -36.506 -11.260 1.00 71.15 H new ATOM 0 HG12 VAL A 550 11.818 -37.101 -12.506 1.00 71.15 H new ATOM 0 HG13 VAL A 550 12.171 -37.378 -10.784 1.00 71.15 H new ATOM 0 HG21 VAL A 550 11.220 -34.599 -9.886 1.00 74.01 H new ATOM 0 HG22 VAL A 550 12.704 -35.386 -9.298 1.00 74.01 H new ATOM 0 HG23 VAL A 550 12.789 -33.776 -10.051 1.00 74.01 H new ATOM 339 N LYS A 551 15.219 -33.580 -11.571 1.00 40.01 N ATOM 340 CA LYS A 551 15.964 -32.575 -10.827 1.00 42.25 C ATOM 341 C LYS A 551 14.945 -31.600 -10.283 1.00 15.30 C ATOM 342 O LYS A 551 14.025 -31.184 -10.988 1.00 75.24 O ATOM 343 CB LYS A 551 16.991 -31.864 -11.708 1.00 2.01 C ATOM 344 CG LYS A 551 17.940 -32.828 -12.414 1.00 52.12 C ATOM 345 CD LYS A 551 18.973 -32.082 -13.246 1.00 43.42 C ATOM 346 CE LYS A 551 19.467 -32.942 -14.413 1.00 32.00 C ATOM 347 NZ LYS A 551 18.382 -33.123 -15.446 1.00 71.34 N ATOM 0 H LYS A 551 15.001 -33.327 -12.535 1.00 40.01 H new ATOM 0 HA LYS A 551 16.533 -33.040 -10.022 1.00 42.25 H new ATOM 0 HB2 LYS A 551 16.469 -31.265 -12.454 1.00 2.01 H new ATOM 0 HB3 LYS A 551 17.572 -31.174 -11.095 1.00 2.01 H new ATOM 0 HG2 LYS A 551 18.446 -33.449 -11.675 1.00 52.12 H new ATOM 0 HG3 LYS A 551 17.369 -33.498 -13.056 1.00 52.12 H new ATOM 0 HD2 LYS A 551 18.538 -31.159 -13.629 1.00 43.42 H new ATOM 0 HD3 LYS A 551 19.816 -31.799 -12.616 1.00 43.42 H new ATOM 0 HE2 LYS A 551 20.337 -32.473 -14.872 1.00 32.00 H new ATOM 0 HE3 LYS A 551 19.788 -33.916 -14.042 1.00 32.00 H new ATOM 0 HZ1 LYS A 551 18.777 -33.591 -16.286 1.00 71.34 H new ATOM 0 HZ2 LYS A 551 17.619 -33.709 -15.050 1.00 71.34 H new ATOM 0 HZ3 LYS A 551 18.000 -32.194 -15.715 1.00 71.34 H new ATOM 361 N VAL A 552 15.095 -31.264 -9.017 1.00 75.52 N ATOM 362 CA VAL A 552 14.206 -30.328 -8.344 1.00 1.25 C ATOM 363 C VAL A 552 14.943 -28.997 -8.174 1.00 13.42 C ATOM 364 O VAL A 552 16.033 -28.952 -7.598 1.00 51.53 O ATOM 365 CB VAL A 552 13.768 -30.863 -6.949 1.00 72.23 C ATOM 366 CG1 VAL A 552 12.534 -30.092 -6.470 1.00 11.14 C ATOM 367 CG2 VAL A 552 13.480 -32.385 -6.991 1.00 45.13 C ATOM 0 H VAL A 552 15.837 -31.631 -8.422 1.00 75.52 H new ATOM 0 HA VAL A 552 13.308 -30.198 -8.948 1.00 1.25 H new ATOM 0 HB VAL A 552 14.586 -30.707 -6.246 1.00 72.23 H new ATOM 0 HG11 VAL A 552 12.227 -30.467 -5.493 1.00 11.14 H new ATOM 0 HG12 VAL A 552 12.775 -29.032 -6.393 1.00 11.14 H new ATOM 0 HG13 VAL A 552 11.721 -30.228 -7.183 1.00 11.14 H new ATOM 0 HG21 VAL A 552 13.177 -32.725 -6.001 1.00 45.13 H new ATOM 0 HG22 VAL A 552 12.680 -32.584 -7.704 1.00 45.13 H new ATOM 0 HG23 VAL A 552 14.380 -32.917 -7.298 1.00 45.13 H new ATOM 377 N LEU A 553 14.372 -27.938 -8.728 1.00 14.44 N ATOM 378 CA LEU A 553 14.962 -26.606 -8.743 1.00 24.11 C ATOM 379 C LEU A 553 14.186 -25.708 -7.791 1.00 42.35 C ATOM 380 O LEU A 553 13.059 -26.025 -7.399 1.00 10.01 O ATOM 381 CB LEU A 553 14.886 -26.001 -10.148 1.00 22.43 C ATOM 382 CG LEU A 553 15.340 -26.839 -11.355 1.00 64.54 C ATOM 383 CD1 LEU A 553 16.697 -27.537 -11.155 1.00 40.32 C ATOM 384 CD2 LEU A 553 14.297 -27.814 -11.768 1.00 51.22 C ATOM 0 H LEU A 553 13.464 -27.981 -9.191 1.00 14.44 H new ATOM 0 HA LEU A 553 16.006 -26.683 -8.439 1.00 24.11 H new ATOM 0 HB2 LEU A 553 13.851 -25.709 -10.323 1.00 22.43 H new ATOM 0 HB3 LEU A 553 15.479 -25.086 -10.143 1.00 22.43 H new ATOM 0 HG LEU A 553 15.486 -26.122 -12.163 1.00 64.54 H new ATOM 0 HD11 LEU A 553 16.948 -28.108 -12.049 1.00 40.32 H new ATOM 0 HD12 LEU A 553 17.468 -26.788 -10.974 1.00 40.32 H new ATOM 0 HD13 LEU A 553 16.637 -28.210 -10.300 1.00 40.32 H new ATOM 0 HD21 LEU A 553 14.654 -28.388 -12.623 1.00 51.22 H new ATOM 0 HD22 LEU A 553 14.084 -28.491 -10.941 1.00 51.22 H new ATOM 0 HD23 LEU A 553 13.388 -27.279 -12.043 1.00 51.22 H new ATOM 396 N ARG A 554 14.796 -24.600 -7.393 1.00 72.15 N ATOM 397 CA ARG A 554 14.206 -23.694 -6.428 1.00 2.42 C ATOM 398 C ARG A 554 14.386 -22.238 -6.908 1.00 54.42 C ATOM 399 O ARG A 554 15.380 -21.921 -7.558 1.00 41.23 O ATOM 400 CB ARG A 554 14.891 -23.997 -5.076 1.00 42.42 C ATOM 401 CG ARG A 554 14.844 -22.916 -4.019 1.00 1.20 C ATOM 402 CD ARG A 554 16.195 -22.216 -3.888 1.00 42.10 C ATOM 403 NE ARG A 554 16.803 -21.869 -5.189 1.00 40.53 N ATOM 404 CZ ARG A 554 17.678 -20.898 -5.422 1.00 34.41 C ATOM 405 NH1 ARG A 554 18.136 -20.111 -4.481 1.00 71.53 N ATOM 406 NH2 ARG A 554 18.097 -20.717 -6.641 1.00 41.21 N ATOM 0 H ARG A 554 15.713 -24.308 -7.732 1.00 72.15 H new ATOM 0 HA ARG A 554 13.130 -23.830 -6.314 1.00 2.42 H new ATOM 0 HB2 ARG A 554 14.435 -24.896 -4.660 1.00 42.42 H new ATOM 0 HB3 ARG A 554 15.937 -24.232 -5.273 1.00 42.42 H new ATOM 0 HG2 ARG A 554 14.076 -22.186 -4.275 1.00 1.20 H new ATOM 0 HG3 ARG A 554 14.562 -23.352 -3.061 1.00 1.20 H new ATOM 0 HD2 ARG A 554 16.070 -21.307 -3.300 1.00 42.10 H new ATOM 0 HD3 ARG A 554 16.879 -22.861 -3.336 1.00 42.10 H new ATOM 0 HE ARG A 554 16.522 -22.433 -5.991 1.00 40.53 H new ATOM 0 HH11 ARG A 554 17.821 -20.230 -3.518 1.00 71.53 H new ATOM 0 HH12 ARG A 554 18.808 -19.379 -4.711 1.00 71.53 H new ATOM 0 HH21 ARG A 554 17.753 -21.315 -7.393 1.00 41.21 H new ATOM 0 HH22 ARG A 554 18.769 -19.977 -6.845 1.00 41.21 H new ATOM 420 N THR A 555 13.439 -21.368 -6.571 1.00 10.54 N ATOM 421 CA THR A 555 13.526 -19.914 -6.880 1.00 15.35 C ATOM 422 C THR A 555 14.495 -19.191 -5.931 1.00 53.13 C ATOM 423 O THR A 555 14.930 -19.765 -4.960 1.00 35.20 O ATOM 424 CB THR A 555 12.134 -19.212 -6.788 1.00 12.03 C ATOM 425 OG1 THR A 555 12.161 -18.013 -7.563 1.00 20.55 O ATOM 426 CG2 THR A 555 11.774 -18.821 -5.337 1.00 24.33 C ATOM 0 H THR A 555 12.586 -21.633 -6.078 1.00 10.54 H new ATOM 0 HA THR A 555 13.896 -19.849 -7.903 1.00 15.35 H new ATOM 0 HB THR A 555 11.391 -19.918 -7.158 1.00 12.03 H new ATOM 0 HG1 THR A 555 11.289 -17.569 -7.510 1.00 20.55 H new ATOM 0 HG21 THR A 555 10.798 -18.336 -5.322 1.00 24.33 H new ATOM 0 HG22 THR A 555 11.744 -19.716 -4.716 1.00 24.33 H new ATOM 0 HG23 THR A 555 12.526 -18.135 -4.948 1.00 24.33 H new ATOM 434 N SER A 556 14.785 -17.916 -6.167 1.00 45.23 N ATOM 435 CA SER A 556 15.723 -17.124 -5.339 1.00 73.33 C ATOM 436 C SER A 556 15.353 -16.905 -3.848 1.00 52.42 C ATOM 437 O SER A 556 15.955 -16.078 -3.168 1.00 64.21 O ATOM 438 CB SER A 556 15.879 -15.756 -6.004 1.00 20.10 C ATOM 439 OG SER A 556 14.603 -15.203 -6.281 1.00 72.22 O ATOM 0 H SER A 556 14.380 -17.388 -6.940 1.00 45.23 H new ATOM 0 HA SER A 556 16.636 -17.718 -5.300 1.00 73.33 H new ATOM 0 HB2 SER A 556 16.440 -15.087 -5.352 1.00 20.10 H new ATOM 0 HB3 SER A 556 16.450 -15.854 -6.927 1.00 20.10 H new ATOM 0 HG SER A 556 14.712 -14.326 -6.705 1.00 72.22 H new ATOM 445 N GLY A 557 14.399 -17.670 -3.340 1.00 72.20 N ATOM 446 CA GLY A 557 13.933 -17.548 -1.972 1.00 50.14 C ATOM 447 C GLY A 557 14.658 -18.454 -0.988 1.00 52.41 C ATOM 448 O GLY A 557 14.141 -18.755 0.058 1.00 23.23 O ATOM 0 H GLY A 557 13.924 -18.399 -3.872 1.00 72.20 H new ATOM 0 HA2 GLY A 557 14.049 -16.513 -1.650 1.00 50.14 H new ATOM 0 HA3 GLY A 557 12.867 -17.774 -1.941 1.00 50.14 H new ATOM 452 N ALA A 558 15.819 -18.986 -1.313 1.00 35.44 N ATOM 453 CA ALA A 558 16.435 -19.946 -0.387 1.00 13.22 C ATOM 454 C ALA A 558 16.924 -19.297 0.904 1.00 13.42 C ATOM 455 O ALA A 558 17.941 -18.593 0.935 1.00 60.30 O ATOM 456 CB ALA A 558 17.525 -20.699 -1.035 1.00 51.03 C ATOM 0 H ALA A 558 16.343 -18.790 -2.166 1.00 35.44 H new ATOM 0 HA ALA A 558 15.646 -20.646 -0.112 1.00 13.22 H new ATOM 0 HB1 ALA A 558 17.958 -21.400 -0.321 1.00 51.03 H new ATOM 0 HB2 ALA A 558 17.130 -21.249 -1.889 1.00 51.03 H new ATOM 0 HB3 ALA A 558 18.294 -20.006 -1.375 1.00 51.03 H new ATOM 462 N ARG A 559 16.179 -19.549 1.967 1.00 61.53 N ATOM 463 CA ARG A 559 16.472 -19.013 3.283 1.00 33.53 C ATOM 464 C ARG A 559 16.453 -20.187 4.244 1.00 11.34 C ATOM 465 O ARG A 559 15.407 -20.774 4.461 1.00 53.52 O ATOM 466 CB ARG A 559 15.384 -17.996 3.666 1.00 34.23 C ATOM 467 CG ARG A 559 15.155 -16.862 2.639 1.00 44.11 C ATOM 468 CD ARG A 559 16.143 -15.732 2.782 1.00 44.02 C ATOM 469 NE ARG A 559 17.479 -16.050 2.260 1.00 10.31 N ATOM 470 CZ ARG A 559 18.538 -15.259 2.352 1.00 53.02 C ATOM 471 NH1 ARG A 559 18.486 -14.084 2.934 1.00 23.01 N ATOM 472 NH2 ARG A 559 19.668 -15.663 1.846 1.00 52.53 N ATOM 0 H ARG A 559 15.346 -20.137 1.939 1.00 61.53 H new ATOM 0 HA ARG A 559 17.438 -18.508 3.309 1.00 33.53 H new ATOM 0 HB2 ARG A 559 14.445 -18.529 3.810 1.00 34.23 H new ATOM 0 HB3 ARG A 559 15.647 -17.549 4.625 1.00 34.23 H new ATOM 0 HG2 ARG A 559 15.223 -17.272 1.631 1.00 44.11 H new ATOM 0 HG3 ARG A 559 14.144 -16.471 2.756 1.00 44.11 H new ATOM 0 HD2 ARG A 559 15.758 -14.855 2.261 1.00 44.02 H new ATOM 0 HD3 ARG A 559 16.228 -15.465 3.836 1.00 44.02 H new ATOM 0 HE ARG A 559 17.601 -16.948 1.791 1.00 10.31 H new ATOM 0 HH11 ARG A 559 17.609 -13.752 3.335 1.00 23.01 H new ATOM 0 HH12 ARG A 559 19.323 -13.503 2.986 1.00 23.01 H new ATOM 0 HH21 ARG A 559 19.726 -16.573 1.389 1.00 52.53 H new ATOM 0 HH22 ARG A 559 20.495 -15.069 1.906 1.00 52.53 H new ATOM 486 N GLY A 560 17.596 -20.554 4.794 1.00 44.34 N ATOM 487 CA GLY A 560 17.629 -21.664 5.725 1.00 60.02 C ATOM 488 C GLY A 560 17.426 -23.009 5.075 1.00 42.21 C ATOM 489 O GLY A 560 17.775 -23.222 3.909 1.00 1.32 O ATOM 0 H GLY A 560 18.497 -20.109 4.617 1.00 44.34 H new ATOM 0 HA2 GLY A 560 18.588 -21.663 6.244 1.00 60.02 H new ATOM 0 HA3 GLY A 560 16.857 -21.516 6.480 1.00 60.02 H new ATOM 493 N THR A 561 16.855 -23.907 5.853 1.00 31.44 N ATOM 494 CA THR A 561 16.610 -25.278 5.447 1.00 34.11 C ATOM 495 C THR A 561 15.126 -25.529 5.431 1.00 52.25 C ATOM 496 O THR A 561 14.416 -25.214 6.360 1.00 3.43 O ATOM 497 CB THR A 561 17.240 -26.279 6.435 1.00 60.41 C ATOM 498 OG1 THR A 561 18.653 -26.065 6.491 1.00 31.21 O ATOM 499 CG2 THR A 561 16.995 -27.698 6.032 1.00 24.11 C ATOM 0 H THR A 561 16.543 -23.701 6.802 1.00 31.44 H new ATOM 0 HA THR A 561 17.052 -25.418 4.461 1.00 34.11 H new ATOM 0 HB THR A 561 16.777 -26.112 7.407 1.00 60.41 H new ATOM 0 HG1 THR A 561 18.863 -25.462 7.234 1.00 31.21 H new ATOM 0 HG21 THR A 561 17.457 -28.367 6.758 1.00 24.11 H new ATOM 0 HG22 THR A 561 15.922 -27.886 5.997 1.00 24.11 H new ATOM 0 HG23 THR A 561 17.427 -27.876 5.047 1.00 24.11 H new ATOM 507 N VAL A 562 14.673 -26.116 4.354 1.00 43.30 N ATOM 508 CA VAL A 562 13.294 -26.518 4.165 1.00 4.40 C ATOM 509 C VAL A 562 13.341 -27.959 3.670 1.00 14.02 C ATOM 510 O VAL A 562 14.254 -28.346 2.975 1.00 35.42 O ATOM 511 CB VAL A 562 12.545 -25.536 3.201 1.00 71.52 C ATOM 512 CG1 VAL A 562 13.505 -24.608 2.494 1.00 34.43 C ATOM 513 CG2 VAL A 562 11.648 -26.257 2.204 1.00 42.34 C ATOM 0 H VAL A 562 15.269 -26.337 3.556 1.00 43.30 H new ATOM 0 HA VAL A 562 12.718 -26.471 5.089 1.00 4.40 H new ATOM 0 HB VAL A 562 11.893 -24.932 3.832 1.00 71.52 H new ATOM 0 HG11 VAL A 562 12.948 -23.942 1.834 1.00 34.43 H new ATOM 0 HG12 VAL A 562 14.049 -24.017 3.231 1.00 34.43 H new ATOM 0 HG13 VAL A 562 14.211 -25.194 1.906 1.00 34.43 H new ATOM 0 HG21 VAL A 562 11.155 -25.526 1.563 1.00 42.34 H new ATOM 0 HG22 VAL A 562 12.250 -26.929 1.592 1.00 42.34 H new ATOM 0 HG23 VAL A 562 10.895 -26.833 2.742 1.00 42.34 H new ATOM 523 N ILE A 563 12.384 -28.761 4.089 1.00 42.30 N ATOM 524 CA ILE A 563 12.325 -30.163 3.724 1.00 52.55 C ATOM 525 C ILE A 563 11.160 -30.316 2.734 1.00 24.12 C ATOM 526 O ILE A 563 10.134 -29.639 2.881 1.00 63.31 O ATOM 527 CB ILE A 563 12.176 -31.045 5.000 1.00 73.34 C ATOM 528 CG1 ILE A 563 12.919 -32.365 4.812 1.00 32.31 C ATOM 529 CG2 ILE A 563 10.702 -31.321 5.357 1.00 73.40 C ATOM 530 CD1 ILE A 563 13.389 -32.976 6.110 1.00 74.20 C ATOM 0 H ILE A 563 11.621 -28.458 4.695 1.00 42.30 H new ATOM 0 HA ILE A 563 13.242 -30.503 3.243 1.00 52.55 H new ATOM 0 HB ILE A 563 12.612 -30.487 5.829 1.00 73.34 H new ATOM 0 HG12 ILE A 563 12.265 -33.072 4.301 1.00 32.31 H new ATOM 0 HG13 ILE A 563 13.779 -32.200 4.163 1.00 32.31 H new ATOM 0 HG21 ILE A 563 10.654 -31.939 6.253 1.00 73.40 H new ATOM 0 HG22 ILE A 563 10.189 -30.377 5.540 1.00 73.40 H new ATOM 0 HG23 ILE A 563 10.219 -31.842 4.531 1.00 73.40 H new ATOM 0 HD11 ILE A 563 13.909 -33.912 5.904 1.00 74.20 H new ATOM 0 HD12 ILE A 563 14.068 -32.286 6.612 1.00 74.20 H new ATOM 0 HD13 ILE A 563 12.530 -33.172 6.752 1.00 74.20 H new ATOM 542 N VAL A 564 11.320 -31.136 1.701 1.00 24.15 N ATOM 543 CA VAL A 564 10.261 -31.300 0.693 1.00 62.21 C ATOM 544 C VAL A 564 9.973 -32.772 0.334 1.00 20.25 C ATOM 545 O VAL A 564 10.808 -33.437 -0.273 1.00 75.23 O ATOM 546 CB VAL A 564 10.601 -30.561 -0.641 1.00 41.12 C ATOM 547 CG1 VAL A 564 9.332 -30.476 -1.524 1.00 50.22 C ATOM 548 CG2 VAL A 564 11.145 -29.147 -0.369 1.00 41.31 C ATOM 0 H VAL A 564 12.158 -31.693 1.534 1.00 24.15 H new ATOM 0 HA VAL A 564 9.379 -30.866 1.164 1.00 62.21 H new ATOM 0 HB VAL A 564 11.374 -31.127 -1.161 1.00 41.12 H new ATOM 0 HG11 VAL A 564 9.570 -29.960 -2.454 1.00 50.22 H new ATOM 0 HG12 VAL A 564 8.976 -31.482 -1.747 1.00 50.22 H new ATOM 0 HG13 VAL A 564 8.555 -29.926 -0.993 1.00 50.22 H new ATOM 0 HG21 VAL A 564 11.373 -28.657 -1.315 1.00 41.31 H new ATOM 0 HG22 VAL A 564 10.396 -28.566 0.169 1.00 41.31 H new ATOM 0 HG23 VAL A 564 12.052 -29.215 0.232 1.00 41.31 H new ATOM 558 N PRO A 565 8.787 -33.295 0.695 1.00 55.45 N ATOM 559 CA PRO A 565 8.415 -34.655 0.286 1.00 73.13 C ATOM 560 C PRO A 565 8.026 -34.826 -1.164 1.00 42.30 C ATOM 561 O PRO A 565 7.516 -33.901 -1.791 1.00 54.53 O ATOM 562 CB PRO A 565 7.185 -34.952 1.158 1.00 14.24 C ATOM 563 CG PRO A 565 6.609 -33.641 1.438 1.00 5.15 C ATOM 564 CD PRO A 565 7.727 -32.667 1.498 1.00 52.55 C ATOM 0 HA PRO A 565 9.273 -35.316 0.407 1.00 73.13 H new ATOM 0 HB2 PRO A 565 6.475 -35.594 0.637 1.00 14.24 H new ATOM 0 HB3 PRO A 565 7.465 -35.467 2.077 1.00 14.24 H new ATOM 0 HG2 PRO A 565 5.898 -33.361 0.661 1.00 5.15 H new ATOM 0 HG3 PRO A 565 6.062 -33.656 2.381 1.00 5.15 H new ATOM 0 HD2 PRO A 565 7.436 -31.699 1.089 1.00 52.55 H new ATOM 0 HD3 PRO A 565 8.052 -32.495 2.524 1.00 52.55 H new ATOM 572 N PHE A 566 8.187 -36.047 -1.653 1.00 33.13 N ATOM 573 CA PHE A 566 7.730 -36.443 -2.968 1.00 72.14 C ATOM 574 C PHE A 566 7.110 -37.817 -2.858 1.00 42.44 C ATOM 575 O PHE A 566 7.315 -38.498 -1.855 1.00 34.15 O ATOM 576 CB PHE A 566 8.912 -36.505 -3.910 1.00 33.32 C ATOM 577 CG PHE A 566 9.968 -37.507 -3.506 1.00 1.51 C ATOM 578 CD1 PHE A 566 11.025 -37.123 -2.658 1.00 64.13 C ATOM 579 CD2 PHE A 566 9.929 -38.830 -3.986 1.00 50.10 C ATOM 580 CE1 PHE A 566 12.033 -38.049 -2.289 1.00 52.31 C ATOM 581 CE2 PHE A 566 10.932 -39.762 -3.625 1.00 24.40 C ATOM 582 CZ PHE A 566 11.987 -39.369 -2.780 1.00 50.14 C ATOM 0 H PHE A 566 8.646 -36.798 -1.137 1.00 33.13 H new ATOM 0 HA PHE A 566 7.002 -35.726 -3.348 1.00 72.14 H new ATOM 0 HB2 PHE A 566 8.554 -36.753 -4.909 1.00 33.32 H new ATOM 0 HB3 PHE A 566 9.368 -35.517 -3.970 1.00 33.32 H new ATOM 0 HD1 PHE A 566 11.068 -36.111 -2.284 1.00 64.13 H new ATOM 0 HD2 PHE A 566 9.124 -39.138 -4.637 1.00 50.10 H new ATOM 0 HE1 PHE A 566 12.835 -37.743 -1.633 1.00 52.31 H new ATOM 0 HE2 PHE A 566 10.888 -40.775 -3.998 1.00 24.40 H new ATOM 0 HZ PHE A 566 12.757 -40.076 -2.509 1.00 50.14 H new ATOM 592 N ARG A 567 6.377 -38.220 -3.886 1.00 43.21 N ATOM 593 CA ARG A 567 5.757 -39.543 -3.949 1.00 12.14 C ATOM 594 C ARG A 567 5.462 -39.874 -5.394 1.00 41.22 C ATOM 595 O ARG A 567 5.300 -38.965 -6.209 1.00 22.01 O ATOM 596 CB ARG A 567 4.457 -39.560 -3.125 1.00 63.52 C ATOM 597 CG ARG A 567 3.450 -38.446 -3.492 1.00 14.13 C ATOM 598 CD ARG A 567 2.528 -38.803 -4.647 1.00 74.21 C ATOM 599 NE ARG A 567 1.755 -40.046 -4.492 1.00 62.22 N ATOM 600 CZ ARG A 567 0.512 -40.159 -4.051 1.00 31.11 C ATOM 601 NH1 ARG A 567 -0.176 -39.138 -3.605 1.00 11.42 N ATOM 602 NH2 ARG A 567 -0.051 -41.335 -4.083 1.00 43.14 N ATOM 0 H ARG A 567 6.193 -37.639 -4.704 1.00 43.21 H new ATOM 0 HA ARG A 567 6.436 -40.287 -3.533 1.00 12.14 H new ATOM 0 HB2 ARG A 567 3.972 -40.528 -3.255 1.00 63.52 H new ATOM 0 HB3 ARG A 567 4.710 -39.470 -2.069 1.00 63.52 H new ATOM 0 HG2 ARG A 567 2.845 -38.214 -2.616 1.00 14.13 H new ATOM 0 HG3 ARG A 567 4.002 -37.541 -3.747 1.00 14.13 H new ATOM 0 HD2 ARG A 567 1.829 -37.980 -4.797 1.00 74.21 H new ATOM 0 HD3 ARG A 567 3.127 -38.881 -5.554 1.00 74.21 H new ATOM 0 HE ARG A 567 2.227 -40.912 -4.752 1.00 62.22 H new ATOM 0 HH11 ARG A 567 0.244 -38.209 -3.588 1.00 11.42 H new ATOM 0 HH12 ARG A 567 -1.132 -39.272 -3.275 1.00 11.42 H new ATOM 0 HH21 ARG A 567 0.466 -42.138 -4.441 1.00 43.14 H new ATOM 0 HH22 ARG A 567 -1.008 -41.452 -3.750 1.00 43.14 H new ATOM 616 N THR A 568 5.334 -41.149 -5.703 1.00 64.44 N ATOM 617 CA THR A 568 4.960 -41.578 -7.042 1.00 63.22 C ATOM 618 C THR A 568 3.456 -41.493 -7.201 1.00 70.31 C ATOM 619 O THR A 568 2.710 -41.852 -6.296 1.00 1.34 O ATOM 620 CB THR A 568 5.368 -43.020 -7.277 1.00 71.12 C ATOM 621 OG1 THR A 568 6.420 -43.350 -6.379 1.00 54.34 O ATOM 622 CG2 THR A 568 5.850 -43.219 -8.669 1.00 5.40 C ATOM 0 H THR A 568 5.484 -41.912 -5.043 1.00 64.44 H new ATOM 0 HA THR A 568 5.465 -40.929 -7.757 1.00 63.22 H new ATOM 0 HB THR A 568 4.500 -43.658 -7.113 1.00 71.12 H new ATOM 0 HG1 THR A 568 6.041 -43.707 -5.549 1.00 54.34 H new ATOM 0 HG21 THR A 568 6.136 -44.261 -8.810 1.00 5.40 H new ATOM 0 HG22 THR A 568 5.055 -42.963 -9.369 1.00 5.40 H new ATOM 0 HG23 THR A 568 6.713 -42.579 -8.850 1.00 5.40 H new ATOM 630 N VAL A 569 3.024 -41.000 -8.342 1.00 52.41 N ATOM 631 CA VAL A 569 1.621 -40.836 -8.667 1.00 41.14 C ATOM 632 C VAL A 569 1.431 -41.614 -9.912 1.00 64.13 C ATOM 633 O VAL A 569 1.926 -41.270 -10.971 1.00 4.11 O ATOM 634 CB VAL A 569 1.237 -39.372 -8.993 1.00 52.24 C ATOM 635 CG1 VAL A 569 -0.267 -39.267 -9.325 1.00 72.30 C ATOM 636 CG2 VAL A 569 1.562 -38.440 -7.852 1.00 63.22 C ATOM 0 H VAL A 569 3.651 -40.695 -9.086 1.00 52.41 H new ATOM 0 HA VAL A 569 1.014 -41.151 -7.818 1.00 41.14 H new ATOM 0 HB VAL A 569 1.826 -39.072 -9.860 1.00 52.24 H new ATOM 0 HG11 VAL A 569 -0.518 -38.231 -9.551 1.00 72.30 H new ATOM 0 HG12 VAL A 569 -0.493 -39.892 -10.189 1.00 72.30 H new ATOM 0 HG13 VAL A 569 -0.853 -39.604 -8.470 1.00 72.30 H new ATOM 0 HG21 VAL A 569 1.277 -37.423 -8.121 1.00 63.22 H new ATOM 0 HG22 VAL A 569 1.012 -38.748 -6.963 1.00 63.22 H new ATOM 0 HG23 VAL A 569 2.632 -38.475 -7.647 1.00 63.22 H new ATOM 646 N GLU A 570 0.745 -42.703 -9.763 1.00 31.34 N ATOM 647 CA GLU A 570 0.487 -43.577 -10.858 1.00 54.04 C ATOM 648 C GLU A 570 -0.686 -43.057 -11.688 1.00 11.02 C ATOM 649 O GLU A 570 -1.657 -42.537 -11.144 1.00 54.12 O ATOM 650 CB GLU A 570 0.275 -44.981 -10.322 1.00 10.45 C ATOM 651 CG GLU A 570 0.008 -45.157 -8.785 1.00 53.22 C ATOM 652 CD GLU A 570 -1.173 -44.352 -8.217 1.00 1.42 C ATOM 653 OE1 GLU A 570 -2.334 -44.791 -8.328 1.00 51.31 O ATOM 654 OE2 GLU A 570 -0.898 -43.320 -7.540 1.00 2.11 O ATOM 0 H GLU A 570 0.348 -43.010 -8.875 1.00 31.34 H new ATOM 0 HA GLU A 570 1.339 -43.611 -11.537 1.00 54.04 H new ATOM 0 HB2 GLU A 570 -0.567 -45.418 -10.858 1.00 10.45 H new ATOM 0 HB3 GLU A 570 1.156 -45.571 -10.576 1.00 10.45 H new ATOM 0 HG2 GLU A 570 -0.166 -46.214 -8.584 1.00 53.22 H new ATOM 0 HG3 GLU A 570 0.911 -44.874 -8.243 1.00 53.22 H new ATOM 661 N GLY A 571 -0.554 -43.136 -13.006 1.00 73.13 N ATOM 662 CA GLY A 571 -1.607 -42.669 -13.895 1.00 3.42 C ATOM 663 C GLY A 571 -2.528 -43.835 -14.173 1.00 61.21 C ATOM 664 O GLY A 571 -3.583 -43.971 -13.561 1.00 22.31 O ATOM 0 H GLY A 571 0.266 -43.516 -13.479 1.00 73.13 H new ATOM 0 HA2 GLY A 571 -2.158 -41.848 -13.436 1.00 3.42 H new ATOM 0 HA3 GLY A 571 -1.182 -42.288 -14.824 1.00 3.42 H new ATOM 668 N THR A 572 -2.091 -44.721 -15.055 1.00 11.52 N ATOM 669 CA THR A 572 -2.720 -46.031 -15.183 1.00 54.23 C ATOM 670 C THR A 572 -1.626 -47.023 -14.813 1.00 42.33 C ATOM 671 O THR A 572 -0.680 -47.188 -15.569 1.00 75.42 O ATOM 672 CB THR A 572 -3.266 -46.289 -16.623 1.00 72.43 C ATOM 673 OG1 THR A 572 -3.202 -47.686 -16.925 1.00 53.13 O ATOM 674 CG2 THR A 572 -2.465 -45.530 -17.695 1.00 35.05 C ATOM 0 H THR A 572 -1.309 -44.561 -15.690 1.00 11.52 H new ATOM 0 HA THR A 572 -3.594 -46.120 -14.537 1.00 54.23 H new ATOM 0 HB THR A 572 -4.296 -45.931 -16.639 1.00 72.43 H new ATOM 0 HG1 THR A 572 -3.547 -47.841 -17.829 1.00 53.13 H new ATOM 0 HG21 THR A 572 -2.883 -45.742 -18.679 1.00 35.05 H new ATOM 0 HG22 THR A 572 -2.520 -44.459 -17.500 1.00 35.05 H new ATOM 0 HG23 THR A 572 -1.424 -45.851 -17.666 1.00 35.05 H new ATOM 682 N ALA A 573 -1.769 -47.682 -13.670 1.00 14.51 N ATOM 683 CA ALA A 573 -0.777 -48.636 -13.173 1.00 53.14 C ATOM 684 C ALA A 573 -1.423 -49.347 -11.990 1.00 71.14 C ATOM 685 O ALA A 573 -2.551 -49.015 -11.607 1.00 5.42 O ATOM 686 CB ALA A 573 0.504 -47.901 -12.708 1.00 64.02 C ATOM 0 H ALA A 573 -2.577 -47.572 -13.058 1.00 14.51 H new ATOM 0 HA ALA A 573 -0.486 -49.337 -13.955 1.00 53.14 H new ATOM 0 HB1 ALA A 573 1.228 -48.629 -12.342 1.00 64.02 H new ATOM 0 HB2 ALA A 573 0.933 -47.352 -13.546 1.00 64.02 H new ATOM 0 HB3 ALA A 573 0.254 -47.204 -11.908 1.00 64.02 H new ATOM 692 N LYS A 574 -0.690 -50.260 -11.367 1.00 13.12 N ATOM 693 CA LYS A 574 -1.120 -50.917 -10.149 1.00 62.04 C ATOM 694 C LYS A 574 -0.226 -50.396 -9.000 1.00 74.02 C ATOM 695 O LYS A 574 -0.679 -50.268 -7.857 1.00 62.21 O ATOM 696 CB LYS A 574 -1.038 -52.429 -10.381 1.00 2.40 C ATOM 697 CG LYS A 574 -0.411 -53.203 -9.294 1.00 54.32 C ATOM 698 CD LYS A 574 -1.311 -53.373 -8.084 1.00 40.13 C ATOM 699 CE LYS A 574 -0.487 -53.712 -6.848 1.00 62.41 C ATOM 700 NZ LYS A 574 0.456 -54.849 -7.093 1.00 64.13 N ATOM 0 H LYS A 574 0.225 -50.565 -11.698 1.00 13.12 H new ATOM 0 HA LYS A 574 -2.151 -50.698 -9.873 1.00 62.04 H new ATOM 0 HB2 LYS A 574 -2.047 -52.810 -10.540 1.00 2.40 H new ATOM 0 HB3 LYS A 574 -0.480 -52.609 -11.300 1.00 2.40 H new ATOM 0 HG2 LYS A 574 -0.131 -54.187 -9.672 1.00 54.32 H new ATOM 0 HG3 LYS A 574 0.509 -52.706 -8.987 1.00 54.32 H new ATOM 0 HD2 LYS A 574 -1.875 -52.456 -7.912 1.00 40.13 H new ATOM 0 HD3 LYS A 574 -2.037 -54.164 -8.272 1.00 40.13 H new ATOM 0 HE2 LYS A 574 0.078 -52.833 -6.538 1.00 62.41 H new ATOM 0 HE3 LYS A 574 -1.156 -53.967 -6.026 1.00 62.41 H new ATOM 0 HZ1 LYS A 574 0.581 -55.392 -6.215 1.00 64.13 H new ATOM 0 HZ2 LYS A 574 0.067 -55.470 -7.831 1.00 64.13 H new ATOM 0 HZ3 LYS A 574 1.376 -54.476 -7.404 1.00 64.13 H new ATOM 714 N GLY A 575 1.017 -50.057 -9.310 1.00 70.44 N ATOM 715 CA GLY A 575 1.926 -49.500 -8.318 1.00 73.44 C ATOM 716 C GLY A 575 2.514 -50.496 -7.339 1.00 14.53 C ATOM 717 O GLY A 575 2.328 -51.713 -7.430 1.00 43.51 O ATOM 0 H GLY A 575 1.420 -50.158 -10.242 1.00 70.44 H new ATOM 0 HA2 GLY A 575 2.744 -49.003 -8.839 1.00 73.44 H new ATOM 0 HA3 GLY A 575 1.395 -48.733 -7.754 1.00 73.44 H new ATOM 721 N GLY A 576 3.241 -49.964 -6.369 1.00 4.30 N ATOM 722 CA GLY A 576 3.889 -50.796 -5.372 1.00 52.51 C ATOM 723 C GLY A 576 5.255 -51.221 -5.862 1.00 33.31 C ATOM 724 O GLY A 576 6.192 -50.456 -5.761 1.00 33.51 O ATOM 0 H GLY A 576 3.396 -48.963 -6.252 1.00 4.30 H new ATOM 0 HA2 GLY A 576 3.984 -50.248 -4.435 1.00 52.51 H new ATOM 0 HA3 GLY A 576 3.278 -51.675 -5.167 1.00 52.51 H new ATOM 728 N GLY A 577 5.365 -52.454 -6.336 1.00 54.51 N ATOM 729 CA GLY A 577 6.586 -52.947 -6.957 1.00 75.45 C ATOM 730 C GLY A 577 6.297 -53.457 -8.358 1.00 10.14 C ATOM 731 O GLY A 577 7.059 -54.248 -8.882 1.00 10.44 O ATOM 0 H GLY A 577 4.611 -53.140 -6.301 1.00 54.51 H new ATOM 0 HA2 GLY A 577 7.328 -52.150 -6.999 1.00 75.45 H new ATOM 0 HA3 GLY A 577 7.012 -53.747 -6.352 1.00 75.45 H new ATOM 735 N GLU A 578 5.100 -53.180 -8.855 1.00 52.01 N ATOM 736 CA GLU A 578 4.566 -53.908 -10.013 1.00 61.12 C ATOM 737 C GLU A 578 5.004 -53.378 -11.372 1.00 44.15 C ATOM 738 O GLU A 578 5.394 -54.132 -12.252 1.00 75.13 O ATOM 739 CB GLU A 578 3.045 -53.849 -9.945 1.00 12.41 C ATOM 740 CG GLU A 578 2.352 -55.049 -10.519 1.00 71.51 C ATOM 741 CD GLU A 578 1.925 -56.039 -9.424 1.00 4.55 C ATOM 742 OE1 GLU A 578 2.652 -56.171 -8.409 1.00 41.20 O ATOM 743 OE2 GLU A 578 0.760 -56.506 -9.461 1.00 64.12 O ATOM 0 H GLU A 578 4.478 -52.462 -8.482 1.00 52.01 H new ATOM 0 HA GLU A 578 4.964 -54.920 -9.945 1.00 61.12 H new ATOM 0 HB2 GLU A 578 2.744 -53.734 -8.904 1.00 12.41 H new ATOM 0 HB3 GLU A 578 2.704 -52.960 -10.475 1.00 12.41 H new ATOM 0 HG2 GLU A 578 1.475 -54.728 -11.081 1.00 71.51 H new ATOM 0 HG3 GLU A 578 3.016 -55.550 -11.223 1.00 71.51 H new ATOM 750 N ASP A 579 4.885 -52.073 -11.534 1.00 2.04 N ATOM 751 CA ASP A 579 5.210 -51.373 -12.781 1.00 13.14 C ATOM 752 C ASP A 579 6.354 -50.393 -12.538 1.00 11.22 C ATOM 753 O ASP A 579 7.144 -50.079 -13.432 1.00 4.44 O ATOM 754 CB ASP A 579 3.964 -50.613 -13.230 1.00 25.40 C ATOM 755 CG ASP A 579 3.016 -50.350 -12.072 1.00 65.04 C ATOM 756 OD1 ASP A 579 3.428 -49.669 -11.110 1.00 75.10 O ATOM 757 OD2 ASP A 579 1.908 -50.932 -12.039 1.00 15.44 O ATOM 0 H ASP A 579 4.555 -51.452 -10.795 1.00 2.04 H new ATOM 0 HA ASP A 579 5.519 -52.083 -13.548 1.00 13.14 H new ATOM 0 HB2 ASP A 579 4.259 -49.665 -13.681 1.00 25.40 H new ATOM 0 HB3 ASP A 579 3.447 -51.185 -14.000 1.00 25.40 H new ATOM 762 N PHE A 580 6.506 -50.006 -11.285 1.00 14.54 N ATOM 763 CA PHE A 580 7.666 -49.266 -10.821 1.00 14.53 C ATOM 764 C PHE A 580 7.705 -49.521 -9.327 1.00 22.24 C ATOM 765 O PHE A 580 6.737 -50.039 -8.767 1.00 1.15 O ATOM 766 CB PHE A 580 7.507 -47.761 -11.104 1.00 51.40 C ATOM 767 CG PHE A 580 6.208 -47.186 -10.592 1.00 1.20 C ATOM 768 CD1 PHE A 580 6.038 -46.912 -9.221 1.00 32.32 C ATOM 769 CD2 PHE A 580 5.141 -46.931 -11.474 1.00 21.01 C ATOM 770 CE1 PHE A 580 4.816 -46.413 -8.725 1.00 75.33 C ATOM 771 CE2 PHE A 580 3.915 -46.415 -10.990 1.00 54.24 C ATOM 772 CZ PHE A 580 3.757 -46.161 -9.608 1.00 45.30 C ATOM 0 H PHE A 580 5.822 -50.198 -10.554 1.00 14.54 H new ATOM 0 HA PHE A 580 8.581 -49.579 -11.324 1.00 14.53 H new ATOM 0 HB2 PHE A 580 8.338 -47.224 -10.647 1.00 51.40 H new ATOM 0 HB3 PHE A 580 7.571 -47.593 -12.179 1.00 51.40 H new ATOM 0 HD1 PHE A 580 6.857 -47.087 -8.539 1.00 32.32 H new ATOM 0 HD2 PHE A 580 5.259 -47.131 -12.529 1.00 21.01 H new ATOM 0 HE1 PHE A 580 4.696 -46.226 -7.668 1.00 75.33 H new ATOM 0 HE2 PHE A 580 3.103 -46.216 -11.674 1.00 54.24 H new ATOM 0 HZ PHE A 580 2.821 -45.773 -9.233 1.00 45.30 H new ATOM 782 N GLU A 581 8.786 -49.127 -8.673 1.00 41.32 N ATOM 783 CA GLU A 581 8.836 -49.182 -7.212 1.00 32.40 C ATOM 784 C GLU A 581 8.373 -47.851 -6.652 1.00 3.13 C ATOM 785 O GLU A 581 8.918 -46.802 -7.000 1.00 23.33 O ATOM 786 CB GLU A 581 10.237 -49.510 -6.710 1.00 44.43 C ATOM 787 CG GLU A 581 10.619 -50.966 -6.946 1.00 53.21 C ATOM 788 CD GLU A 581 11.969 -51.326 -6.330 1.00 43.42 C ATOM 789 OE1 GLU A 581 12.659 -50.428 -5.798 1.00 33.21 O ATOM 790 OE2 GLU A 581 12.384 -52.502 -6.458 1.00 14.35 O ATOM 0 H GLU A 581 9.631 -48.770 -9.118 1.00 41.32 H new ATOM 0 HA GLU A 581 8.176 -49.979 -6.870 1.00 32.40 H new ATOM 0 HB2 GLU A 581 10.958 -48.864 -7.210 1.00 44.43 H new ATOM 0 HB3 GLU A 581 10.297 -49.291 -5.644 1.00 44.43 H new ATOM 0 HG2 GLU A 581 9.848 -51.613 -6.526 1.00 53.21 H new ATOM 0 HG3 GLU A 581 10.649 -51.161 -8.018 1.00 53.21 H new ATOM 797 N ASP A 582 7.346 -47.895 -5.811 1.00 44.40 N ATOM 798 CA ASP A 582 6.781 -46.687 -5.216 1.00 11.42 C ATOM 799 C ASP A 582 7.796 -46.005 -4.350 1.00 22.44 C ATOM 800 O ASP A 582 8.247 -46.500 -3.312 1.00 42.42 O ATOM 801 CB ASP A 582 5.543 -46.980 -4.402 1.00 54.32 C ATOM 802 CG ASP A 582 4.828 -45.711 -3.934 1.00 2.25 C ATOM 803 OD1 ASP A 582 5.151 -44.600 -4.422 1.00 71.31 O ATOM 804 OD2 ASP A 582 3.928 -45.830 -3.077 1.00 52.00 O ATOM 0 H ASP A 582 6.885 -48.758 -5.524 1.00 44.40 H new ATOM 0 HA ASP A 582 6.497 -46.031 -6.039 1.00 11.42 H new ATOM 0 HB2 ASP A 582 4.855 -47.580 -4.998 1.00 54.32 H new ATOM 0 HB3 ASP A 582 5.818 -47.578 -3.533 1.00 54.32 H new ATOM 809 N ALA A 583 8.191 -44.875 -4.868 1.00 2.50 N ATOM 810 CA ALA A 583 9.279 -44.107 -4.354 1.00 35.11 C ATOM 811 C ALA A 583 8.817 -42.782 -3.761 1.00 11.23 C ATOM 812 O ALA A 583 8.462 -41.837 -4.471 1.00 41.05 O ATOM 813 CB ALA A 583 10.228 -43.897 -5.445 1.00 73.21 C ATOM 0 H ALA A 583 7.747 -44.455 -5.685 1.00 2.50 H new ATOM 0 HA ALA A 583 9.753 -44.649 -3.536 1.00 35.11 H new ATOM 0 HB1 ALA A 583 11.074 -43.312 -5.084 1.00 73.21 H new ATOM 0 HB2 ALA A 583 10.583 -44.861 -5.809 1.00 73.21 H new ATOM 0 HB3 ALA A 583 9.736 -43.361 -6.257 1.00 73.21 H new ATOM 819 N TYR A 584 8.844 -42.721 -2.443 1.00 14.21 N ATOM 820 CA TYR A 584 8.453 -41.528 -1.716 1.00 72.41 C ATOM 821 C TYR A 584 9.454 -41.282 -0.604 1.00 43.34 C ATOM 822 O TYR A 584 9.997 -42.216 -0.020 1.00 73.33 O ATOM 823 CB TYR A 584 7.039 -41.704 -1.153 1.00 54.22 C ATOM 824 CG TYR A 584 6.810 -43.053 -0.498 1.00 62.03 C ATOM 825 CD1 TYR A 584 7.090 -43.268 0.867 1.00 43.21 C ATOM 826 CD2 TYR A 584 6.319 -44.133 -1.258 1.00 3.44 C ATOM 827 CE1 TYR A 584 6.885 -44.550 1.457 1.00 23.10 C ATOM 828 CE2 TYR A 584 6.119 -45.407 -0.680 1.00 51.13 C ATOM 829 CZ TYR A 584 6.402 -45.605 0.671 1.00 12.41 C ATOM 830 OH TYR A 584 6.210 -46.844 1.227 1.00 12.01 O ATOM 0 H TYR A 584 9.137 -43.495 -1.847 1.00 14.21 H new ATOM 0 HA TYR A 584 8.445 -40.666 -2.383 1.00 72.41 H new ATOM 0 HB2 TYR A 584 6.847 -40.918 -0.423 1.00 54.22 H new ATOM 0 HB3 TYR A 584 6.317 -41.574 -1.959 1.00 54.22 H new ATOM 0 HD1 TYR A 584 7.463 -42.454 1.471 1.00 43.21 H new ATOM 0 HD2 TYR A 584 6.091 -43.984 -2.303 1.00 3.44 H new ATOM 0 HE1 TYR A 584 7.101 -44.707 2.504 1.00 23.10 H new ATOM 0 HE2 TYR A 584 5.749 -46.224 -1.282 1.00 51.13 H new ATOM 0 HH TYR A 584 5.870 -47.460 0.545 1.00 12.01 H new ATOM 840 N GLY A 585 9.725 -40.019 -0.325 1.00 44.53 N ATOM 841 CA GLY A 585 10.678 -39.677 0.714 1.00 42.01 C ATOM 842 C GLY A 585 10.701 -38.183 0.881 1.00 14.43 C ATOM 843 O GLY A 585 9.876 -37.503 0.278 1.00 63.51 O ATOM 0 H GLY A 585 9.303 -39.221 -0.799 1.00 44.53 H new ATOM 0 HA2 GLY A 585 10.401 -40.157 1.653 1.00 42.01 H new ATOM 0 HA3 GLY A 585 11.671 -40.042 0.450 1.00 42.01 H new ATOM 847 N GLU A 586 11.632 -37.664 1.669 1.00 60.44 N ATOM 848 CA GLU A 586 11.764 -36.221 1.861 1.00 43.04 C ATOM 849 C GLU A 586 13.146 -35.749 1.464 1.00 63.25 C ATOM 850 O GLU A 586 14.127 -36.476 1.587 1.00 73.20 O ATOM 851 CB GLU A 586 11.502 -35.819 3.308 1.00 1.24 C ATOM 852 CG GLU A 586 10.030 -35.774 3.649 1.00 52.12 C ATOM 853 CD GLU A 586 9.711 -34.916 4.862 1.00 31.44 C ATOM 854 OE1 GLU A 586 10.416 -34.986 5.884 1.00 70.22 O ATOM 855 OE2 GLU A 586 8.726 -34.146 4.775 1.00 14.42 O ATOM 0 H GLU A 586 12.311 -38.220 2.189 1.00 60.44 H new ATOM 0 HA GLU A 586 11.017 -35.749 1.223 1.00 43.04 H new ATOM 0 HB2 GLU A 586 12.002 -36.524 3.972 1.00 1.24 H new ATOM 0 HB3 GLU A 586 11.943 -34.839 3.493 1.00 1.24 H new ATOM 0 HG2 GLU A 586 9.478 -35.393 2.790 1.00 52.12 H new ATOM 0 HG3 GLU A 586 9.677 -36.789 3.830 1.00 52.12 H new ATOM 862 N LEU A 587 13.199 -34.525 0.969 1.00 43.24 N ATOM 863 CA LEU A 587 14.427 -33.935 0.467 1.00 25.34 C ATOM 864 C LEU A 587 14.838 -32.736 1.305 1.00 62.55 C ATOM 865 O LEU A 587 14.105 -31.756 1.390 1.00 3.22 O ATOM 866 CB LEU A 587 14.203 -33.474 -0.974 1.00 33.40 C ATOM 867 CG LEU A 587 13.739 -34.567 -1.948 1.00 15.24 C ATOM 868 CD1 LEU A 587 13.179 -33.934 -3.189 1.00 32.03 C ATOM 869 CD2 LEU A 587 14.856 -35.518 -2.332 1.00 43.22 C ATOM 0 H LEU A 587 12.388 -33.910 0.904 1.00 43.24 H new ATOM 0 HA LEU A 587 15.217 -34.684 0.516 1.00 25.34 H new ATOM 0 HB2 LEU A 587 13.462 -32.674 -0.971 1.00 33.40 H new ATOM 0 HB3 LEU A 587 15.132 -33.046 -1.350 1.00 33.40 H new ATOM 0 HG LEU A 587 12.973 -35.149 -1.435 1.00 15.24 H new ATOM 0 HD11 LEU A 587 12.851 -34.712 -3.878 1.00 32.03 H new ATOM 0 HD12 LEU A 587 12.331 -33.302 -2.924 1.00 32.03 H new ATOM 0 HD13 LEU A 587 13.948 -33.327 -3.667 1.00 32.03 H new ATOM 0 HD21 LEU A 587 14.473 -36.270 -3.022 1.00 43.22 H new ATOM 0 HD22 LEU A 587 15.659 -34.960 -2.813 1.00 43.22 H new ATOM 0 HD23 LEU A 587 15.240 -36.008 -1.437 1.00 43.22 H new ATOM 881 N GLU A 588 16.012 -32.809 1.906 1.00 13.32 N ATOM 882 CA GLU A 588 16.549 -31.692 2.684 1.00 11.41 C ATOM 883 C GLU A 588 17.124 -30.613 1.752 1.00 40.25 C ATOM 884 O GLU A 588 18.207 -30.749 1.192 1.00 45.24 O ATOM 885 CB GLU A 588 17.601 -32.186 3.693 1.00 23.03 C ATOM 886 CG GLU A 588 18.631 -33.190 3.147 1.00 63.41 C ATOM 887 CD GLU A 588 19.544 -33.717 4.242 1.00 74.01 C ATOM 888 OE1 GLU A 588 20.156 -32.890 4.957 1.00 21.23 O ATOM 889 OE2 GLU A 588 19.664 -34.946 4.381 1.00 43.22 O ATOM 0 H GLU A 588 16.618 -33.629 1.874 1.00 13.32 H new ATOM 0 HA GLU A 588 15.735 -31.241 3.252 1.00 11.41 H new ATOM 0 HB2 GLU A 588 18.137 -31.321 4.084 1.00 23.03 H new ATOM 0 HB3 GLU A 588 17.083 -32.647 4.534 1.00 23.03 H new ATOM 0 HG2 GLU A 588 18.111 -34.024 2.676 1.00 63.41 H new ATOM 0 HG3 GLU A 588 19.231 -32.710 2.374 1.00 63.41 H new ATOM 896 N PHE A 589 16.366 -29.545 1.574 1.00 33.24 N ATOM 897 CA PHE A 589 16.765 -28.420 0.731 1.00 14.33 C ATOM 898 C PHE A 589 17.350 -27.325 1.609 1.00 5.43 C ATOM 899 O PHE A 589 16.720 -26.895 2.565 1.00 1.34 O ATOM 900 CB PHE A 589 15.538 -27.864 0.013 1.00 72.23 C ATOM 901 CG PHE A 589 15.469 -28.230 -1.434 1.00 1.00 C ATOM 902 CD1 PHE A 589 16.280 -27.571 -2.373 1.00 35.01 C ATOM 903 CD2 PHE A 589 14.575 -29.221 -1.878 1.00 11.22 C ATOM 904 CE1 PHE A 589 16.181 -27.875 -3.745 1.00 3.31 C ATOM 905 CE2 PHE A 589 14.473 -29.531 -3.252 1.00 34.41 C ATOM 906 CZ PHE A 589 15.277 -28.841 -4.185 1.00 33.32 C ATOM 0 H PHE A 589 15.451 -29.429 2.010 1.00 33.24 H new ATOM 0 HA PHE A 589 17.503 -28.755 0.002 1.00 14.33 H new ATOM 0 HB2 PHE A 589 14.640 -28.227 0.513 1.00 72.23 H new ATOM 0 HB3 PHE A 589 15.536 -26.778 0.104 1.00 72.23 H new ATOM 0 HD1 PHE A 589 16.986 -26.824 -2.040 1.00 35.01 H new ATOM 0 HD2 PHE A 589 13.962 -29.749 -1.163 1.00 11.22 H new ATOM 0 HE1 PHE A 589 16.807 -27.359 -4.458 1.00 3.31 H new ATOM 0 HE2 PHE A 589 13.784 -30.292 -3.587 1.00 34.41 H new ATOM 0 HZ PHE A 589 15.192 -29.061 -5.239 1.00 33.32 H new ATOM 916 N LYS A 590 18.552 -26.864 1.296 1.00 1.01 N ATOM 917 CA LYS A 590 19.219 -25.841 2.111 1.00 72.42 C ATOM 918 C LYS A 590 19.687 -24.688 1.244 1.00 61.52 C ATOM 919 O LYS A 590 19.478 -24.687 0.037 1.00 41.24 O ATOM 920 CB LYS A 590 20.406 -26.443 2.875 1.00 62.21 C ATOM 921 CG LYS A 590 20.073 -27.743 3.587 1.00 25.32 C ATOM 922 CD LYS A 590 21.141 -28.111 4.603 1.00 31.20 C ATOM 923 CE LYS A 590 20.953 -29.538 5.102 1.00 33.14 C ATOM 924 NZ LYS A 590 21.280 -30.536 4.030 1.00 61.03 N ATOM 0 H LYS A 590 19.090 -27.176 0.488 1.00 1.01 H new ATOM 0 HA LYS A 590 18.497 -25.463 2.835 1.00 72.42 H new ATOM 0 HB2 LYS A 590 21.225 -26.620 2.177 1.00 62.21 H new ATOM 0 HB3 LYS A 590 20.762 -25.718 3.607 1.00 62.21 H new ATOM 0 HG2 LYS A 590 19.110 -27.648 4.088 1.00 25.32 H new ATOM 0 HG3 LYS A 590 19.974 -28.545 2.855 1.00 25.32 H new ATOM 0 HD2 LYS A 590 22.128 -28.007 4.152 1.00 31.20 H new ATOM 0 HD3 LYS A 590 21.101 -27.420 5.445 1.00 31.20 H new ATOM 0 HE2 LYS A 590 21.591 -29.710 5.969 1.00 33.14 H new ATOM 0 HE3 LYS A 590 19.923 -29.678 5.431 1.00 33.14 H new ATOM 0 HZ1 LYS A 590 21.291 -31.493 4.438 1.00 61.03 H new ATOM 0 HZ2 LYS A 590 20.561 -30.488 3.280 1.00 61.03 H new ATOM 0 HZ3 LYS A 590 22.215 -30.320 3.628 1.00 61.03 H new ATOM 938 N ASN A 591 20.331 -23.719 1.877 1.00 15.24 N ATOM 939 CA ASN A 591 20.815 -22.509 1.218 1.00 24.14 C ATOM 940 C ASN A 591 21.562 -22.690 -0.113 1.00 15.20 C ATOM 941 O ASN A 591 21.162 -22.097 -1.095 1.00 64.41 O ATOM 942 CB ASN A 591 21.739 -21.777 2.187 1.00 22.34 C ATOM 943 CG ASN A 591 22.088 -20.378 1.724 1.00 5.13 C ATOM 944 OD1 ASN A 591 21.167 -19.722 1.068 1.00 52.14 O flip ATOM 945 ND2 ASN A 591 23.165 -19.889 1.985 1.00 2.11 N flip ATOM 0 H ASN A 591 20.536 -23.749 2.876 1.00 15.24 H new ATOM 0 HA ASN A 591 19.913 -21.955 0.957 1.00 24.14 H new ATOM 0 HB2 ASN A 591 21.262 -21.722 3.165 1.00 22.34 H new ATOM 0 HB3 ASN A 591 22.656 -22.353 2.312 1.00 22.34 H new ATOM 0 HD21 ASN A 591 23.860 -20.431 2.499 1.00 2.11 H new ATOM 0 HD22 ASN A 591 23.377 -18.936 1.691 1.00 2.11 H new ATOM 952 N ASP A 592 22.672 -23.423 -0.122 1.00 3.01 N ATOM 953 CA ASP A 592 23.441 -23.685 -1.361 1.00 72.05 C ATOM 954 C ASP A 592 22.833 -24.846 -2.166 1.00 22.13 C ATOM 955 O ASP A 592 22.819 -24.869 -3.392 1.00 20.22 O ATOM 956 CB ASP A 592 24.886 -24.023 -1.007 1.00 22.04 C ATOM 957 CG ASP A 592 25.798 -23.986 -2.213 1.00 63.24 C ATOM 958 OD1 ASP A 592 25.736 -22.996 -2.974 1.00 32.44 O ATOM 959 OD2 ASP A 592 26.601 -24.924 -2.382 1.00 14.03 O ATOM 0 H ASP A 592 23.070 -23.853 0.713 1.00 3.01 H new ATOM 0 HA ASP A 592 23.404 -22.785 -1.974 1.00 72.05 H new ATOM 0 HB2 ASP A 592 25.248 -23.318 -0.259 1.00 22.04 H new ATOM 0 HB3 ASP A 592 24.924 -25.015 -0.556 1.00 22.04 H new ATOM 964 N GLU A 593 22.295 -25.781 -1.396 1.00 3.53 N ATOM 965 CA GLU A 593 21.610 -27.037 -1.817 1.00 53.22 C ATOM 966 C GLU A 593 20.402 -26.949 -2.736 1.00 25.05 C ATOM 967 O GLU A 593 19.531 -27.811 -2.716 1.00 34.53 O ATOM 968 CB GLU A 593 21.346 -27.943 -0.619 1.00 42.04 C ATOM 969 CG GLU A 593 22.625 -28.334 0.110 1.00 11.12 C ATOM 970 CD GLU A 593 22.373 -29.340 1.213 1.00 34.43 C ATOM 971 OE1 GLU A 593 21.390 -30.108 1.115 1.00 74.10 O ATOM 972 OE2 GLU A 593 23.121 -29.341 2.206 1.00 63.23 O ATOM 0 H GLU A 593 22.317 -25.693 -0.380 1.00 3.53 H new ATOM 0 HA GLU A 593 22.346 -27.480 -2.488 1.00 53.22 H new ATOM 0 HB2 GLU A 593 20.676 -27.436 0.076 1.00 42.04 H new ATOM 0 HB3 GLU A 593 20.833 -28.844 -0.955 1.00 42.04 H new ATOM 0 HG2 GLU A 593 23.335 -28.752 -0.604 1.00 11.12 H new ATOM 0 HG3 GLU A 593 23.086 -27.442 0.533 1.00 11.12 H new ATOM 979 N THR A 594 20.257 -25.814 -3.383 1.00 34.23 N ATOM 980 CA THR A 594 19.065 -25.434 -4.104 1.00 4.40 C ATOM 981 C THR A 594 18.853 -26.201 -5.393 1.00 41.25 C ATOM 982 O THR A 594 17.910 -25.920 -6.142 1.00 31.33 O ATOM 983 CB THR A 594 19.259 -24.005 -4.578 1.00 72.02 C ATOM 984 OG1 THR A 594 20.348 -23.944 -5.501 1.00 24.21 O ATOM 985 CG2 THR A 594 19.595 -23.108 -3.444 1.00 54.30 C ATOM 0 H THR A 594 20.991 -25.107 -3.422 1.00 34.23 H new ATOM 0 HA THR A 594 18.232 -25.610 -3.424 1.00 4.40 H new ATOM 0 HB THR A 594 18.327 -23.686 -5.044 1.00 72.02 H new ATOM 0 HG1 THR A 594 20.468 -23.020 -5.805 1.00 24.21 H new ATOM 0 HG21 THR A 594 19.729 -22.091 -3.812 1.00 54.30 H new ATOM 0 HG22 THR A 594 18.786 -23.126 -2.714 1.00 54.30 H new ATOM 0 HG23 THR A 594 20.517 -23.447 -2.973 1.00 54.30 H new ATOM 993 N VAL A 595 19.647 -27.241 -5.584 1.00 24.20 N ATOM 994 CA VAL A 595 19.387 -28.218 -6.623 1.00 32.32 C ATOM 995 C VAL A 595 19.392 -29.585 -5.941 1.00 11.34 C ATOM 996 O VAL A 595 20.216 -29.855 -5.059 1.00 33.34 O ATOM 997 CB VAL A 595 20.407 -28.084 -7.777 1.00 12.33 C ATOM 998 CG1 VAL A 595 21.820 -28.475 -7.348 1.00 72.53 C ATOM 999 CG2 VAL A 595 19.960 -28.903 -8.998 1.00 65.52 C ATOM 0 H VAL A 595 20.481 -27.429 -5.028 1.00 24.20 H new ATOM 0 HA VAL A 595 18.420 -28.064 -7.101 1.00 32.32 H new ATOM 0 HB VAL A 595 20.438 -27.031 -8.057 1.00 12.33 H new ATOM 0 HG11 VAL A 595 22.500 -28.364 -8.192 1.00 72.53 H new ATOM 0 HG12 VAL A 595 22.145 -27.828 -6.533 1.00 72.53 H new ATOM 0 HG13 VAL A 595 21.824 -29.512 -7.012 1.00 72.53 H new ATOM 0 HG21 VAL A 595 20.693 -28.794 -9.797 1.00 65.52 H new ATOM 0 HG22 VAL A 595 19.879 -29.954 -8.721 1.00 65.52 H new ATOM 0 HG23 VAL A 595 18.991 -28.543 -9.343 1.00 65.52 H new ATOM 1009 N LYS A 596 18.416 -30.410 -6.278 1.00 61.52 N ATOM 1010 CA LYS A 596 18.253 -31.717 -5.645 1.00 63.21 C ATOM 1011 C LYS A 596 17.667 -32.650 -6.676 1.00 12.04 C ATOM 1012 O LYS A 596 17.348 -32.208 -7.766 1.00 12.41 O ATOM 1013 CB LYS A 596 17.321 -31.584 -4.435 1.00 44.33 C ATOM 1014 CG LYS A 596 17.423 -32.712 -3.396 1.00 54.34 C ATOM 1015 CD LYS A 596 18.791 -32.815 -2.726 1.00 2.53 C ATOM 1016 CE LYS A 596 19.040 -31.591 -1.874 1.00 3.33 C ATOM 1017 NZ LYS A 596 20.163 -31.766 -0.887 1.00 4.14 N ATOM 0 H LYS A 596 17.717 -30.200 -6.991 1.00 61.52 H new ATOM 0 HA LYS A 596 19.207 -32.108 -5.292 1.00 63.21 H new ATOM 0 HB2 LYS A 596 17.531 -30.636 -3.939 1.00 44.33 H new ATOM 0 HB3 LYS A 596 16.293 -31.535 -4.794 1.00 44.33 H new ATOM 0 HG2 LYS A 596 16.665 -32.556 -2.629 1.00 54.34 H new ATOM 0 HG3 LYS A 596 17.195 -33.661 -3.881 1.00 54.34 H new ATOM 0 HD2 LYS A 596 18.837 -33.713 -2.110 1.00 2.53 H new ATOM 0 HD3 LYS A 596 19.570 -32.907 -3.483 1.00 2.53 H new ATOM 0 HE2 LYS A 596 19.266 -30.745 -2.524 1.00 3.33 H new ATOM 0 HE3 LYS A 596 18.127 -31.342 -1.333 1.00 3.33 H new ATOM 0 HZ1 LYS A 596 20.280 -30.892 -0.336 1.00 4.14 H new ATOM 0 HZ2 LYS A 596 19.941 -32.553 -0.244 1.00 4.14 H new ATOM 0 HZ3 LYS A 596 21.045 -31.975 -1.398 1.00 4.14 H new ATOM 1031 N THR A 597 17.514 -33.916 -6.341 1.00 23.52 N ATOM 1032 CA THR A 597 16.986 -34.893 -7.265 1.00 52.41 C ATOM 1033 C THR A 597 16.081 -35.896 -6.555 1.00 20.12 C ATOM 1034 O THR A 597 16.170 -36.057 -5.339 1.00 52.34 O ATOM 1035 CB THR A 597 18.155 -35.646 -7.873 1.00 72.23 C ATOM 1036 OG1 THR A 597 19.363 -35.266 -7.206 1.00 31.04 O ATOM 1037 CG2 THR A 597 18.331 -35.355 -9.374 1.00 41.01 C ATOM 0 H THR A 597 17.752 -34.293 -5.423 1.00 23.52 H new ATOM 0 HA THR A 597 16.400 -34.378 -8.026 1.00 52.41 H new ATOM 0 HB THR A 597 17.945 -36.709 -7.752 1.00 72.23 H new ATOM 0 HG1 THR A 597 20.119 -35.753 -7.596 1.00 31.04 H new ATOM 0 HG21 THR A 597 19.181 -35.920 -9.757 1.00 41.01 H new ATOM 0 HG22 THR A 597 17.429 -35.650 -9.910 1.00 41.01 H new ATOM 0 HG23 THR A 597 18.508 -34.289 -9.520 1.00 41.01 H new ATOM 1045 N ILE A 598 15.230 -36.567 -7.322 1.00 61.44 N ATOM 1046 CA ILE A 598 14.331 -37.616 -6.815 1.00 71.33 C ATOM 1047 C ILE A 598 14.572 -38.850 -7.637 1.00 3.03 C ATOM 1048 O ILE A 598 14.589 -38.761 -8.844 1.00 24.22 O ATOM 1049 CB ILE A 598 12.838 -37.235 -6.990 1.00 55.42 C ATOM 1050 CG1 ILE A 598 12.492 -36.169 -5.956 1.00 51.13 C ATOM 1051 CG2 ILE A 598 11.916 -38.496 -6.853 1.00 43.45 C ATOM 1052 CD1 ILE A 598 11.160 -35.494 -6.139 1.00 22.40 C ATOM 0 H ILE A 598 15.138 -36.402 -8.324 1.00 61.44 H new ATOM 0 HA ILE A 598 14.533 -37.761 -5.754 1.00 71.33 H new ATOM 0 HB ILE A 598 12.670 -36.836 -7.990 1.00 55.42 H new ATOM 0 HG12 ILE A 598 12.514 -36.627 -4.967 1.00 51.13 H new ATOM 0 HG13 ILE A 598 13.271 -35.407 -5.972 1.00 51.13 H new ATOM 0 HG21 ILE A 598 10.874 -38.201 -6.980 1.00 43.45 H new ATOM 0 HG22 ILE A 598 12.182 -39.226 -7.618 1.00 43.45 H new ATOM 0 HG23 ILE A 598 12.050 -38.939 -5.866 1.00 43.45 H new ATOM 0 HD11 ILE A 598 11.015 -34.755 -5.351 1.00 22.40 H new ATOM 0 HD12 ILE A 598 11.133 -34.999 -7.110 1.00 22.40 H new ATOM 0 HD13 ILE A 598 10.365 -36.238 -6.089 1.00 22.40 H new ATOM 1064 N ARG A 599 14.724 -39.990 -6.979 1.00 72.13 N ATOM 1065 CA ARG A 599 14.953 -41.275 -7.657 1.00 11.34 C ATOM 1066 C ARG A 599 13.805 -42.260 -7.506 1.00 24.14 C ATOM 1067 O ARG A 599 13.338 -42.500 -6.397 1.00 53.53 O ATOM 1068 CB ARG A 599 16.240 -41.922 -7.139 1.00 40.10 C ATOM 1069 CG ARG A 599 17.440 -41.340 -7.817 1.00 71.20 C ATOM 1070 CD ARG A 599 18.741 -42.050 -7.563 1.00 32.54 C ATOM 1071 NE ARG A 599 19.751 -41.390 -8.405 1.00 24.50 N ATOM 1072 CZ ARG A 599 20.578 -41.984 -9.254 1.00 65.32 C ATOM 1073 NH1 ARG A 599 20.658 -43.288 -9.375 1.00 53.20 N ATOM 1074 NH2 ARG A 599 21.335 -41.240 -10.006 1.00 11.51 N ATOM 0 H ARG A 599 14.694 -40.059 -5.962 1.00 72.13 H new ATOM 0 HA ARG A 599 15.036 -41.042 -8.719 1.00 11.34 H new ATOM 0 HB2 ARG A 599 16.318 -41.774 -6.062 1.00 40.10 H new ATOM 0 HB3 ARG A 599 16.206 -42.998 -7.311 1.00 40.10 H new ATOM 0 HG2 ARG A 599 17.257 -41.328 -8.892 1.00 71.20 H new ATOM 0 HG3 ARG A 599 17.546 -40.302 -7.500 1.00 71.20 H new ATOM 0 HD2 ARG A 599 19.016 -41.991 -6.510 1.00 32.54 H new ATOM 0 HD3 ARG A 599 18.660 -43.108 -7.812 1.00 32.54 H new ATOM 0 HE ARG A 599 19.822 -40.375 -8.328 1.00 24.50 H new ATOM 0 HH11 ARG A 599 20.068 -43.891 -8.801 1.00 53.20 H new ATOM 0 HH12 ARG A 599 21.310 -43.699 -10.043 1.00 53.20 H new ATOM 0 HH21 ARG A 599 21.284 -40.224 -9.934 1.00 11.51 H new ATOM 0 HH22 ARG A 599 21.980 -41.673 -10.667 1.00 11.51 H new ATOM 1088 N VAL A 600 13.392 -42.846 -8.625 1.00 42.20 N ATOM 1089 CA VAL A 600 12.332 -43.868 -8.656 1.00 12.10 C ATOM 1090 C VAL A 600 12.803 -45.068 -9.492 1.00 24.44 C ATOM 1091 O VAL A 600 13.068 -44.924 -10.686 1.00 63.14 O ATOM 1092 CB VAL A 600 11.013 -43.293 -9.283 1.00 10.10 C ATOM 1093 CG1 VAL A 600 9.914 -44.325 -9.294 1.00 72.21 C ATOM 1094 CG2 VAL A 600 10.584 -42.007 -8.560 1.00 72.53 C ATOM 0 H VAL A 600 13.780 -42.630 -9.543 1.00 42.20 H new ATOM 0 HA VAL A 600 12.126 -44.178 -7.632 1.00 12.10 H new ATOM 0 HB VAL A 600 11.215 -43.035 -10.323 1.00 10.10 H new ATOM 0 HG11 VAL A 600 9.015 -43.894 -9.735 1.00 72.21 H new ATOM 0 HG12 VAL A 600 10.230 -45.186 -9.883 1.00 72.21 H new ATOM 0 HG13 VAL A 600 9.702 -44.642 -8.273 1.00 72.21 H new ATOM 0 HG21 VAL A 600 9.668 -41.625 -9.010 1.00 72.53 H new ATOM 0 HG22 VAL A 600 10.408 -42.223 -7.506 1.00 72.53 H new ATOM 0 HG23 VAL A 600 11.372 -41.259 -8.650 1.00 72.53 H new ATOM 1104 N LYS A 601 12.963 -46.230 -8.866 1.00 62.42 N ATOM 1105 CA LYS A 601 13.409 -47.440 -9.580 1.00 21.32 C ATOM 1106 C LYS A 601 12.292 -47.973 -10.476 1.00 45.23 C ATOM 1107 O LYS A 601 11.125 -47.968 -10.086 1.00 25.21 O ATOM 1108 CB LYS A 601 13.821 -48.537 -8.589 1.00 1.01 C ATOM 1109 CG LYS A 601 14.874 -49.505 -9.157 1.00 54.24 C ATOM 1110 CD LYS A 601 14.700 -50.937 -8.666 1.00 14.13 C ATOM 1111 CE LYS A 601 13.642 -51.672 -9.498 1.00 31.45 C ATOM 1112 NZ LYS A 601 13.414 -53.072 -9.022 1.00 62.11 N ATOM 0 H LYS A 601 12.793 -46.368 -7.870 1.00 62.42 H new ATOM 0 HA LYS A 601 14.269 -47.167 -10.191 1.00 21.32 H new ATOM 0 HB2 LYS A 601 14.215 -48.072 -7.685 1.00 1.01 H new ATOM 0 HB3 LYS A 601 12.937 -49.103 -8.296 1.00 1.01 H new ATOM 0 HG2 LYS A 601 14.820 -49.492 -10.246 1.00 54.24 H new ATOM 0 HG3 LYS A 601 15.868 -49.152 -8.883 1.00 54.24 H new ATOM 0 HD2 LYS A 601 15.651 -51.466 -8.729 1.00 14.13 H new ATOM 0 HD3 LYS A 601 14.406 -50.933 -7.616 1.00 14.13 H new ATOM 0 HE2 LYS A 601 12.703 -51.120 -9.457 1.00 31.45 H new ATOM 0 HE3 LYS A 601 13.954 -51.692 -10.542 1.00 31.45 H new ATOM 0 HZ1 LYS A 601 13.002 -53.638 -9.792 1.00 62.11 H new ATOM 0 HZ2 LYS A 601 14.320 -53.491 -8.731 1.00 62.11 H new ATOM 0 HZ3 LYS A 601 12.761 -53.061 -8.213 1.00 62.11 H new ATOM 1126 N ILE A 602 12.658 -48.445 -11.656 1.00 42.10 N ATOM 1127 CA ILE A 602 11.704 -48.997 -12.612 1.00 74.03 C ATOM 1128 C ILE A 602 11.925 -50.503 -12.637 1.00 51.00 C ATOM 1129 O ILE A 602 13.061 -50.959 -12.550 1.00 10.33 O ATOM 1130 CB ILE A 602 11.906 -48.405 -14.053 1.00 31.25 C ATOM 1131 CG1 ILE A 602 12.133 -46.868 -13.991 1.00 21.10 C ATOM 1132 CG2 ILE A 602 10.689 -48.757 -14.937 1.00 74.22 C ATOM 1133 CD1 ILE A 602 10.976 -46.058 -13.404 1.00 1.31 C ATOM 0 H ILE A 602 13.625 -48.458 -11.981 1.00 42.10 H new ATOM 0 HA ILE A 602 10.689 -48.741 -12.307 1.00 74.03 H new ATOM 0 HB ILE A 602 12.797 -48.849 -14.498 1.00 31.25 H new ATOM 0 HG12 ILE A 602 13.028 -46.673 -13.399 1.00 21.10 H new ATOM 0 HG13 ILE A 602 12.333 -46.506 -15.000 1.00 21.10 H new ATOM 0 HG21 ILE A 602 10.833 -48.344 -15.936 1.00 74.22 H new ATOM 0 HG22 ILE A 602 10.588 -49.840 -15.003 1.00 74.22 H new ATOM 0 HG23 ILE A 602 9.785 -48.335 -14.497 1.00 74.22 H new ATOM 0 HD11 ILE A 602 11.235 -44.999 -13.406 1.00 1.31 H new ATOM 0 HD12 ILE A 602 10.081 -46.213 -14.006 1.00 1.31 H new ATOM 0 HD13 ILE A 602 10.786 -46.383 -12.381 1.00 1.31 H new ATOM 1145 N VAL A 603 10.846 -51.264 -12.706 1.00 62.40 N ATOM 1146 CA VAL A 603 10.917 -52.730 -12.740 1.00 32.43 C ATOM 1147 C VAL A 603 10.882 -53.213 -14.195 1.00 43.25 C ATOM 1148 O VAL A 603 10.282 -52.569 -15.055 1.00 22.32 O ATOM 1149 CB VAL A 603 9.778 -53.376 -11.896 1.00 34.13 C ATOM 1150 CG1 VAL A 603 10.004 -53.101 -10.395 1.00 44.25 C ATOM 1151 CG2 VAL A 603 8.450 -52.865 -12.290 1.00 14.24 C ATOM 0 H VAL A 603 9.896 -50.893 -12.740 1.00 62.40 H new ATOM 0 HA VAL A 603 11.858 -53.045 -12.290 1.00 32.43 H new ATOM 0 HB VAL A 603 9.803 -54.449 -12.084 1.00 34.13 H new ATOM 0 HG11 VAL A 603 9.201 -53.558 -9.816 1.00 44.25 H new ATOM 0 HG12 VAL A 603 10.960 -53.525 -10.087 1.00 44.25 H new ATOM 0 HG13 VAL A 603 10.011 -52.025 -10.219 1.00 44.25 H new ATOM 0 HG21 VAL A 603 7.682 -53.339 -11.679 1.00 14.24 H new ATOM 0 HG22 VAL A 603 8.417 -51.786 -12.142 1.00 14.24 H new ATOM 0 HG23 VAL A 603 8.270 -53.093 -13.341 1.00 14.24 H new ATOM 1295 N GLU A 612 3.588 -47.354 -20.043 1.00 45.22 N ATOM 1296 CA GLU A 612 3.308 -47.089 -18.629 1.00 52.32 C ATOM 1297 C GLU A 612 3.422 -45.570 -18.451 1.00 44.20 C ATOM 1298 O GLU A 612 4.193 -44.915 -19.164 1.00 44.22 O ATOM 1299 CB GLU A 612 4.296 -47.873 -17.747 1.00 64.44 C ATOM 1300 CG GLU A 612 4.339 -47.479 -16.267 1.00 70.32 C ATOM 1301 CD GLU A 612 2.988 -47.555 -15.598 1.00 23.33 C ATOM 1302 OE1 GLU A 612 2.331 -48.609 -15.663 1.00 32.43 O ATOM 1303 OE2 GLU A 612 2.561 -46.516 -15.053 1.00 72.32 O ATOM 0 HA GLU A 612 2.314 -47.418 -18.327 1.00 52.32 H new ATOM 0 HB2 GLU A 612 4.048 -48.932 -17.813 1.00 64.44 H new ATOM 0 HB3 GLU A 612 5.296 -47.753 -18.163 1.00 64.44 H new ATOM 0 HG2 GLU A 612 5.036 -48.133 -15.742 1.00 70.32 H new ATOM 0 HG3 GLU A 612 4.726 -46.464 -16.178 1.00 70.32 H new ATOM 1310 N ASN A 613 2.619 -45.008 -17.559 1.00 43.05 N ATOM 1311 CA ASN A 613 2.565 -43.563 -17.347 1.00 1.03 C ATOM 1312 C ASN A 613 2.381 -43.272 -15.866 1.00 2.03 C ATOM 1313 O ASN A 613 1.399 -43.690 -15.250 1.00 40.12 O ATOM 1314 CB ASN A 613 1.366 -42.997 -18.117 1.00 40.24 C ATOM 1315 CG ASN A 613 1.020 -41.580 -17.715 1.00 40.11 C ATOM 1316 OD1 ASN A 613 -0.123 -41.288 -17.399 1.00 64.32 O ATOM 1317 ND2 ASN A 613 1.982 -40.697 -17.739 1.00 45.31 N ATOM 0 H ASN A 613 1.986 -45.538 -16.960 1.00 43.05 H new ATOM 0 HA ASN A 613 3.491 -43.105 -17.696 1.00 1.03 H new ATOM 0 HB2 ASN A 613 1.582 -43.023 -19.185 1.00 40.24 H new ATOM 0 HB3 ASN A 613 0.500 -43.638 -17.951 1.00 40.24 H new ATOM 0 HD21 ASN A 613 1.790 -39.727 -17.489 1.00 45.31 H new ATOM 0 HD22 ASN A 613 2.925 -40.977 -18.008 1.00 45.31 H new ATOM 1324 N PHE A 614 3.290 -42.481 -15.321 1.00 64.34 N ATOM 1325 CA PHE A 614 3.239 -42.117 -13.917 1.00 64.10 C ATOM 1326 C PHE A 614 3.945 -40.788 -13.777 1.00 53.12 C ATOM 1327 O PHE A 614 4.642 -40.361 -14.682 1.00 64.34 O ATOM 1328 CB PHE A 614 3.913 -43.192 -13.045 1.00 21.53 C ATOM 1329 CG PHE A 614 5.417 -43.065 -12.954 1.00 13.12 C ATOM 1330 CD1 PHE A 614 6.260 -43.701 -13.882 1.00 31.42 C ATOM 1331 CD2 PHE A 614 5.995 -42.314 -11.913 1.00 42.12 C ATOM 1332 CE1 PHE A 614 7.675 -43.597 -13.760 1.00 1.24 C ATOM 1333 CE2 PHE A 614 7.395 -42.200 -11.782 1.00 64.03 C ATOM 1334 CZ PHE A 614 8.233 -42.846 -12.698 1.00 20.54 C ATOM 0 H PHE A 614 4.075 -42.078 -15.833 1.00 64.34 H new ATOM 0 HA PHE A 614 2.206 -42.040 -13.578 1.00 64.10 H new ATOM 0 HB2 PHE A 614 3.494 -43.143 -12.040 1.00 21.53 H new ATOM 0 HB3 PHE A 614 3.666 -44.175 -13.445 1.00 21.53 H new ATOM 0 HD1 PHE A 614 5.832 -44.272 -14.693 1.00 31.42 H new ATOM 0 HD2 PHE A 614 5.354 -41.815 -11.201 1.00 42.12 H new ATOM 0 HE1 PHE A 614 8.319 -44.089 -14.474 1.00 1.24 H new ATOM 0 HE2 PHE A 614 7.818 -41.616 -10.978 1.00 64.03 H new ATOM 0 HZ PHE A 614 9.305 -42.771 -12.595 1.00 20.54 H new ATOM 1344 N PHE A 615 3.759 -40.120 -12.658 1.00 15.13 N ATOM 1345 CA PHE A 615 4.401 -38.845 -12.407 1.00 64.11 C ATOM 1346 C PHE A 615 4.859 -38.833 -10.972 1.00 22.11 C ATOM 1347 O PHE A 615 4.501 -39.705 -10.211 1.00 70.03 O ATOM 1348 CB PHE A 615 3.448 -37.662 -12.640 1.00 33.05 C ATOM 1349 CG PHE A 615 2.097 -38.048 -13.183 1.00 42.44 C ATOM 1350 CD1 PHE A 615 1.947 -38.504 -14.510 1.00 72.22 C ATOM 1351 CD2 PHE A 615 0.958 -37.932 -12.370 1.00 62.33 C ATOM 1352 CE1 PHE A 615 0.686 -38.874 -15.011 1.00 64.44 C ATOM 1353 CE2 PHE A 615 -0.322 -38.303 -12.862 1.00 65.11 C ATOM 1354 CZ PHE A 615 -0.453 -38.781 -14.187 1.00 25.24 C ATOM 0 H PHE A 615 3.160 -40.444 -11.898 1.00 15.13 H new ATOM 0 HA PHE A 615 5.236 -38.733 -13.098 1.00 64.11 H new ATOM 0 HB2 PHE A 615 3.309 -37.132 -11.698 1.00 33.05 H new ATOM 0 HB3 PHE A 615 3.918 -36.964 -13.332 1.00 33.05 H new ATOM 0 HD1 PHE A 615 2.814 -38.570 -15.151 1.00 72.22 H new ATOM 0 HD2 PHE A 615 1.056 -37.557 -11.362 1.00 62.33 H new ATOM 0 HE1 PHE A 615 0.591 -39.229 -16.027 1.00 64.44 H new ATOM 0 HE2 PHE A 615 -1.192 -38.220 -12.227 1.00 65.11 H new ATOM 0 HZ PHE A 615 -1.422 -39.073 -14.565 1.00 25.24 H new ATOM 1364 N ILE A 616 5.628 -37.835 -10.580 1.00 41.54 N ATOM 1365 CA ILE A 616 6.019 -37.697 -9.189 1.00 3.51 C ATOM 1366 C ILE A 616 5.616 -36.306 -8.803 1.00 42.04 C ATOM 1367 O ILE A 616 6.093 -35.359 -9.390 1.00 44.41 O ATOM 1368 CB ILE A 616 7.541 -37.819 -8.997 1.00 32.22 C ATOM 1369 CG1 ILE A 616 8.094 -39.088 -9.662 1.00 33.20 C ATOM 1370 CG2 ILE A 616 7.896 -37.826 -7.503 1.00 25.13 C ATOM 1371 CD1 ILE A 616 9.517 -38.930 -10.047 1.00 5.42 C ATOM 0 H ILE A 616 5.993 -37.112 -11.200 1.00 41.54 H new ATOM 0 HA ILE A 616 5.551 -38.479 -8.591 1.00 3.51 H new ATOM 0 HB ILE A 616 7.999 -36.953 -9.475 1.00 32.22 H new ATOM 0 HG12 ILE A 616 7.994 -39.931 -8.978 1.00 33.20 H new ATOM 0 HG13 ILE A 616 7.502 -39.323 -10.546 1.00 33.20 H new ATOM 0 HG21 ILE A 616 8.976 -37.913 -7.386 1.00 25.13 H new ATOM 0 HG22 ILE A 616 7.555 -36.898 -7.044 1.00 25.13 H new ATOM 0 HG23 ILE A 616 7.409 -38.672 -7.017 1.00 25.13 H new ATOM 0 HD11 ILE A 616 9.872 -39.849 -10.514 1.00 5.42 H new ATOM 0 HD12 ILE A 616 9.614 -38.104 -10.752 1.00 5.42 H new ATOM 0 HD13 ILE A 616 10.113 -38.721 -9.159 1.00 5.42 H new ATOM 1383 N ALA A 617 4.729 -36.180 -7.839 1.00 61.53 N ATOM 1384 CA ALA A 617 4.294 -34.867 -7.368 1.00 54.24 C ATOM 1385 C ALA A 617 4.890 -34.665 -5.988 1.00 13.04 C ATOM 1386 O ALA A 617 5.115 -35.624 -5.240 1.00 1.25 O ATOM 1387 CB ALA A 617 2.761 -34.796 -7.316 1.00 41.13 C ATOM 0 H ALA A 617 4.290 -36.967 -7.361 1.00 61.53 H new ATOM 0 HA ALA A 617 4.630 -34.082 -8.046 1.00 54.24 H new ATOM 0 HB1 ALA A 617 2.454 -33.811 -6.963 1.00 41.13 H new ATOM 0 HB2 ALA A 617 2.355 -34.967 -8.313 1.00 41.13 H new ATOM 0 HB3 ALA A 617 2.384 -35.559 -6.635 1.00 41.13 H new ATOM 1393 N LEU A 618 5.132 -33.415 -5.652 1.00 51.54 N ATOM 1394 CA LEU A 618 5.663 -33.058 -4.351 1.00 21.41 C ATOM 1395 C LEU A 618 4.511 -32.899 -3.375 1.00 33.22 C ATOM 1396 O LEU A 618 3.406 -32.552 -3.771 1.00 44.41 O ATOM 1397 CB LEU A 618 6.457 -31.759 -4.466 1.00 32.33 C ATOM 1398 CG LEU A 618 7.666 -31.857 -5.409 1.00 32.33 C ATOM 1399 CD1 LEU A 618 8.212 -30.481 -5.681 1.00 20.54 C ATOM 1400 CD2 LEU A 618 8.742 -32.761 -4.831 1.00 51.54 C ATOM 0 H LEU A 618 4.967 -32.620 -6.270 1.00 51.54 H new ATOM 0 HA LEU A 618 6.330 -33.840 -3.987 1.00 21.41 H new ATOM 0 HB2 LEU A 618 5.795 -30.969 -4.819 1.00 32.33 H new ATOM 0 HB3 LEU A 618 6.803 -31.466 -3.475 1.00 32.33 H new ATOM 0 HG LEU A 618 7.338 -32.300 -6.349 1.00 32.33 H new ATOM 0 HD11 LEU A 618 9.069 -30.555 -6.350 1.00 20.54 H new ATOM 0 HD12 LEU A 618 7.440 -29.869 -6.147 1.00 20.54 H new ATOM 0 HD13 LEU A 618 8.523 -30.021 -4.743 1.00 20.54 H new ATOM 0 HD21 LEU A 618 9.585 -32.811 -5.521 1.00 51.54 H new ATOM 0 HD22 LEU A 618 9.079 -32.360 -3.875 1.00 51.54 H new ATOM 0 HD23 LEU A 618 8.335 -33.761 -4.682 1.00 51.54 H new ATOM 1412 N GLY A 619 4.775 -33.166 -2.103 1.00 1.25 N ATOM 1413 CA GLY A 619 3.755 -33.028 -1.075 1.00 75.41 C ATOM 1414 C GLY A 619 3.501 -31.567 -0.776 1.00 15.03 C ATOM 1415 O GLY A 619 2.606 -30.936 -1.319 1.00 44.44 O ATOM 0 H GLY A 619 5.684 -33.478 -1.760 1.00 1.25 H new ATOM 0 HA2 GLY A 619 2.831 -33.504 -1.404 1.00 75.41 H new ATOM 0 HA3 GLY A 619 4.073 -33.542 -0.168 1.00 75.41 H new ATOM 1419 N GLU A 620 4.352 -31.012 0.072 1.00 62.33 N ATOM 1420 CA GLU A 620 4.330 -29.593 0.373 1.00 11.22 C ATOM 1421 C GLU A 620 5.692 -29.270 0.969 1.00 65.03 C ATOM 1422 O GLU A 620 6.198 -29.998 1.826 1.00 74.13 O ATOM 1423 CB GLU A 620 3.183 -29.200 1.341 1.00 53.25 C ATOM 1424 CG GLU A 620 3.450 -29.429 2.837 1.00 33.32 C ATOM 1425 CD GLU A 620 2.425 -28.770 3.740 1.00 10.04 C ATOM 1426 OE1 GLU A 620 2.360 -27.514 3.741 1.00 11.23 O ATOM 1427 OE2 GLU A 620 1.783 -29.481 4.537 1.00 61.04 O ATOM 0 H GLU A 620 5.075 -31.532 0.569 1.00 62.33 H new ATOM 0 HA GLU A 620 4.138 -29.018 -0.533 1.00 11.22 H new ATOM 0 HB2 GLU A 620 2.955 -28.145 1.191 1.00 53.25 H new ATOM 0 HB3 GLU A 620 2.292 -29.762 1.062 1.00 53.25 H new ATOM 0 HG2 GLU A 620 3.463 -30.501 3.036 1.00 33.32 H new ATOM 0 HG3 GLU A 620 4.440 -29.047 3.084 1.00 33.32 H new ATOM 1434 N PRO A 621 6.338 -28.210 0.492 1.00 43.03 N ATOM 1435 CA PRO A 621 7.600 -27.874 1.143 1.00 73.04 C ATOM 1436 C PRO A 621 7.335 -27.324 2.547 1.00 74.43 C ATOM 1437 O PRO A 621 6.360 -26.599 2.773 1.00 4.43 O ATOM 1438 CB PRO A 621 8.187 -26.831 0.198 1.00 63.40 C ATOM 1439 CG PRO A 621 6.989 -26.178 -0.403 1.00 14.20 C ATOM 1440 CD PRO A 621 6.006 -27.270 -0.587 1.00 53.53 C ATOM 0 HA PRO A 621 8.276 -28.715 1.297 1.00 73.04 H new ATOM 0 HB2 PRO A 621 8.808 -26.112 0.732 1.00 63.40 H new ATOM 0 HB3 PRO A 621 8.816 -27.291 -0.564 1.00 63.40 H new ATOM 0 HG2 PRO A 621 6.595 -25.399 0.250 1.00 14.20 H new ATOM 0 HG3 PRO A 621 7.234 -25.704 -1.353 1.00 14.20 H new ATOM 0 HD2 PRO A 621 4.982 -26.907 -0.503 1.00 53.53 H new ATOM 0 HD3 PRO A 621 6.100 -27.735 -1.568 1.00 53.53 H new ATOM 1448 N LYS A 622 8.172 -27.697 3.503 1.00 13.11 N ATOM 1449 CA LYS A 622 8.004 -27.285 4.900 1.00 42.33 C ATOM 1450 C LYS A 622 9.334 -26.744 5.371 1.00 32.14 C ATOM 1451 O LYS A 622 10.347 -27.329 5.111 1.00 4.33 O ATOM 1452 CB LYS A 622 7.603 -28.490 5.756 1.00 72.30 C ATOM 1453 CG LYS A 622 6.253 -29.101 5.359 1.00 44.00 C ATOM 1454 CD LYS A 622 5.992 -30.452 6.015 1.00 71.41 C ATOM 1455 CE LYS A 622 6.853 -31.545 5.376 1.00 43.40 C ATOM 1456 NZ LYS A 622 6.513 -32.912 5.884 1.00 54.34 N ATOM 0 H LYS A 622 8.985 -28.291 3.340 1.00 13.11 H new ATOM 0 HA LYS A 622 7.224 -26.529 4.988 1.00 42.33 H new ATOM 0 HB2 LYS A 622 8.376 -29.255 5.678 1.00 72.30 H new ATOM 0 HB3 LYS A 622 7.561 -28.185 6.802 1.00 72.30 H new ATOM 0 HG2 LYS A 622 5.454 -28.411 5.632 1.00 44.00 H new ATOM 0 HG3 LYS A 622 6.218 -29.217 4.276 1.00 44.00 H new ATOM 0 HD2 LYS A 622 6.208 -30.391 7.082 1.00 71.41 H new ATOM 0 HD3 LYS A 622 4.938 -30.711 5.917 1.00 71.41 H new ATOM 0 HE2 LYS A 622 6.723 -31.520 4.294 1.00 43.40 H new ATOM 0 HE3 LYS A 622 7.904 -31.338 5.575 1.00 43.40 H new ATOM 0 HZ1 LYS A 622 7.198 -33.601 5.513 1.00 54.34 H new ATOM 0 HZ2 LYS A 622 6.548 -32.915 6.923 1.00 54.34 H new ATOM 0 HZ3 LYS A 622 5.556 -33.172 5.569 1.00 54.34 H new ATOM 1470 N TRP A 623 9.338 -25.634 6.076 1.00 43.45 N ATOM 1471 CA TRP A 623 10.588 -24.995 6.488 1.00 61.50 C ATOM 1472 C TRP A 623 11.084 -25.659 7.734 1.00 11.40 C ATOM 1473 O TRP A 623 10.495 -25.475 8.802 1.00 42.31 O ATOM 1474 CB TRP A 623 10.285 -23.552 6.796 1.00 44.12 C ATOM 1475 CG TRP A 623 11.384 -22.619 6.630 1.00 31.00 C ATOM 1476 CD1 TRP A 623 12.636 -22.839 6.169 1.00 64.20 C ATOM 1477 CD2 TRP A 623 11.340 -21.243 6.971 1.00 24.34 C ATOM 1478 NE1 TRP A 623 13.349 -21.690 6.116 1.00 25.55 N ATOM 1479 CE2 TRP A 623 12.586 -20.672 6.597 1.00 35.35 C ATOM 1480 CE3 TRP A 623 10.391 -20.446 7.616 1.00 3.22 C ATOM 1481 CZ2 TRP A 623 12.879 -19.309 6.791 1.00 35.02 C ATOM 1482 CZ3 TRP A 623 10.682 -19.130 7.884 1.00 21.03 C ATOM 1483 CH2 TRP A 623 11.920 -18.533 7.431 1.00 21.25 C ATOM 0 H TRP A 623 8.494 -25.148 6.380 1.00 43.45 H new ATOM 0 HA TRP A 623 11.340 -25.076 5.703 1.00 61.50 H new ATOM 0 HB2 TRP A 623 9.463 -23.230 6.157 1.00 44.12 H new ATOM 0 HB3 TRP A 623 9.933 -23.488 7.826 1.00 44.12 H new ATOM 0 HD1 TRP A 623 13.018 -23.807 5.880 1.00 64.20 H new ATOM 0 HE1 TRP A 623 14.305 -21.602 5.771 1.00 25.55 H new ATOM 0 HE3 TRP A 623 9.436 -20.861 7.902 1.00 3.22 H new ATOM 0 HZ2 TRP A 623 13.813 -18.883 6.455 1.00 35.02 H new ATOM 0 HZ3 TRP A 623 9.976 -18.532 8.441 1.00 21.03 H new ATOM 0 HH2 TRP A 623 12.099 -17.480 7.591 1.00 21.25 H new ATOM 1494 N MET A 624 12.182 -26.398 7.652 1.00 54.23 N ATOM 1495 CA MET A 624 12.795 -26.748 8.890 1.00 54.00 C ATOM 1496 C MET A 624 14.242 -26.326 8.989 1.00 35.20 C ATOM 1497 O MET A 624 15.181 -27.094 9.186 1.00 52.31 O ATOM 1498 CB MET A 624 12.974 -28.213 8.735 1.00 15.34 C ATOM 1499 CG MET A 624 11.779 -29.055 8.332 1.00 63.34 C ATOM 1500 SD MET A 624 10.605 -29.347 9.630 1.00 64.13 S ATOM 1501 CE MET A 624 9.780 -30.729 8.887 1.00 34.13 C ATOM 0 H MET A 624 12.628 -26.738 6.800 1.00 54.23 H new ATOM 0 HA MET A 624 12.210 -26.331 9.709 1.00 54.00 H new ATOM 0 HB2 MET A 624 13.756 -28.374 7.993 1.00 15.34 H new ATOM 0 HB3 MET A 624 13.348 -28.602 9.682 1.00 15.34 H new ATOM 0 HG2 MET A 624 11.269 -28.564 7.503 1.00 63.34 H new ATOM 0 HG3 MET A 624 12.137 -30.016 7.962 1.00 63.34 H new ATOM 0 HE1 MET A 624 8.988 -31.078 9.549 1.00 34.13 H new ATOM 0 HE2 MET A 624 9.349 -30.425 7.933 1.00 34.13 H new ATOM 0 HE3 MET A 624 10.496 -31.534 8.722 1.00 34.13 H new ATOM 1511 N GLU A 625 14.278 -25.086 9.316 1.00 32.44 N ATOM 1512 CA GLU A 625 15.255 -24.416 10.113 1.00 31.54 C ATOM 1513 C GLU A 625 14.428 -23.297 10.664 1.00 75.44 C ATOM 1514 O GLU A 625 14.742 -22.299 10.217 1.00 62.03 O ATOM 1515 CB GLU A 625 16.245 -23.871 9.064 1.00 24.24 C ATOM 1516 CG GLU A 625 17.352 -22.881 9.520 1.00 10.11 C ATOM 1517 CD GLU A 625 18.627 -22.926 8.689 1.00 42.55 C ATOM 1518 OE1 GLU A 625 18.959 -23.979 8.116 1.00 2.32 O ATOM 1519 OE2 GLU A 625 19.260 -21.858 8.549 1.00 12.01 O ATOM 0 H GLU A 625 13.550 -24.444 9.002 1.00 32.44 H new ATOM 0 HA GLU A 625 15.783 -24.976 10.885 1.00 31.54 H new ATOM 0 HB2 GLU A 625 16.738 -24.726 8.600 1.00 24.24 H new ATOM 0 HB3 GLU A 625 15.662 -23.378 8.286 1.00 24.24 H new ATOM 0 HG2 GLU A 625 16.950 -21.868 9.489 1.00 10.11 H new ATOM 0 HG3 GLU A 625 17.604 -23.092 10.559 1.00 10.11 H new ATOM 1526 N ARG A 626 13.723 -23.275 11.782 1.00 43.13 N ATOM 1527 CA ARG A 626 12.963 -22.026 12.221 1.00 43.40 C ATOM 1528 C ARG A 626 11.951 -22.449 13.261 1.00 62.35 C ATOM 1529 O ARG A 626 11.846 -21.840 14.309 1.00 44.22 O ATOM 1530 CB ARG A 626 12.121 -21.169 11.120 1.00 15.20 C ATOM 1531 CG ARG A 626 12.836 -20.474 9.976 1.00 52.32 C ATOM 1532 CD ARG A 626 13.904 -19.462 10.393 1.00 60.03 C ATOM 1533 NE ARG A 626 13.296 -18.219 10.912 1.00 35.31 N ATOM 1534 CZ ARG A 626 13.938 -17.073 11.094 1.00 1.25 C ATOM 1535 NH1 ARG A 626 15.216 -16.941 10.830 1.00 31.43 N ATOM 1536 NH2 ARG A 626 13.292 -16.033 11.540 1.00 74.40 N ATOM 0 H ARG A 626 13.636 -24.068 12.418 1.00 43.13 H new ATOM 0 HA ARG A 626 13.764 -21.360 12.541 1.00 43.40 H new ATOM 0 HB2 ARG A 626 11.388 -21.844 10.679 1.00 15.20 H new ATOM 0 HB3 ARG A 626 11.565 -20.405 11.663 1.00 15.20 H new ATOM 0 HG2 ARG A 626 13.303 -21.232 9.347 1.00 52.32 H new ATOM 0 HG3 ARG A 626 12.094 -19.963 9.362 1.00 52.32 H new ATOM 0 HD2 ARG A 626 14.545 -19.902 11.157 1.00 60.03 H new ATOM 0 HD3 ARG A 626 14.540 -19.229 9.539 1.00 60.03 H new ATOM 0 HE ARG A 626 12.304 -18.245 11.149 1.00 35.31 H new ATOM 0 HH11 ARG A 626 15.748 -17.735 10.473 1.00 31.43 H new ATOM 0 HH12 ARG A 626 15.678 -16.044 10.982 1.00 31.43 H new ATOM 0 HH21 ARG A 626 12.296 -16.102 11.748 1.00 74.40 H new ATOM 0 HH22 ARG A 626 13.783 -15.150 11.681 1.00 74.40 H new ATOM 1916 N GLY A 650 7.276 -17.612 6.891 1.00 0.42 N ATOM 1917 CA GLY A 650 8.183 -17.942 5.804 1.00 44.52 C ATOM 1918 C GLY A 650 7.794 -19.157 4.993 1.00 25.21 C ATOM 1919 O GLY A 650 8.656 -19.771 4.379 1.00 44.23 O ATOM 0 HA2 GLY A 650 8.251 -17.084 5.135 1.00 44.52 H new ATOM 0 HA3 GLY A 650 9.178 -18.104 6.218 1.00 44.52 H new ATOM 1923 N LYS A 651 6.529 -19.560 5.046 1.00 13.02 N ATOM 1924 CA LYS A 651 6.097 -20.835 4.480 1.00 44.44 C ATOM 1925 C LYS A 651 6.403 -20.957 2.987 1.00 51.43 C ATOM 1926 O LYS A 651 5.842 -20.225 2.174 1.00 13.42 O ATOM 1927 CB LYS A 651 4.587 -21.009 4.691 1.00 2.50 C ATOM 1928 CG LYS A 651 4.212 -22.109 5.686 1.00 54.01 C ATOM 1929 CD LYS A 651 3.518 -23.304 4.989 1.00 42.21 C ATOM 1930 CE LYS A 651 4.519 -24.197 4.249 1.00 55.23 C ATOM 1931 NZ LYS A 651 3.862 -25.190 3.327 1.00 54.33 N ATOM 0 H LYS A 651 5.780 -19.019 5.478 1.00 13.02 H new ATOM 0 HA LYS A 651 6.656 -21.614 4.997 1.00 44.44 H new ATOM 0 HB2 LYS A 651 4.169 -20.064 5.038 1.00 2.50 H new ATOM 0 HB3 LYS A 651 4.121 -21.230 3.731 1.00 2.50 H new ATOM 0 HG2 LYS A 651 5.109 -22.458 6.197 1.00 54.01 H new ATOM 0 HG3 LYS A 651 3.550 -21.699 6.449 1.00 54.01 H new ATOM 0 HD2 LYS A 651 2.984 -23.896 5.732 1.00 42.21 H new ATOM 0 HD3 LYS A 651 2.775 -22.931 4.284 1.00 42.21 H new ATOM 0 HE2 LYS A 651 5.198 -23.569 3.672 1.00 55.23 H new ATOM 0 HE3 LYS A 651 5.125 -24.734 4.979 1.00 55.23 H new ATOM 0 HZ1 LYS A 651 4.592 -25.752 2.844 1.00 54.33 H new ATOM 0 HZ2 LYS A 651 3.247 -25.822 3.879 1.00 54.33 H new ATOM 0 HZ3 LYS A 651 3.292 -24.683 2.620 1.00 54.33 H new ATOM 1945 N PRO A 652 7.271 -21.914 2.607 1.00 35.31 N ATOM 1946 CA PRO A 652 7.465 -22.119 1.172 1.00 4.02 C ATOM 1947 C PRO A 652 6.221 -22.721 0.553 1.00 3.53 C ATOM 1948 O PRO A 652 5.398 -23.332 1.241 1.00 21.05 O ATOM 1949 CB PRO A 652 8.631 -23.104 1.119 1.00 31.15 C ATOM 1950 CG PRO A 652 8.528 -23.851 2.383 1.00 14.11 C ATOM 1951 CD PRO A 652 8.086 -22.863 3.395 1.00 52.44 C ATOM 0 HA PRO A 652 7.660 -21.198 0.623 1.00 4.02 H new ATOM 0 HB2 PRO A 652 8.554 -23.767 0.257 1.00 31.15 H new ATOM 0 HB3 PRO A 652 9.587 -22.586 1.039 1.00 31.15 H new ATOM 0 HG2 PRO A 652 7.814 -24.670 2.297 1.00 14.11 H new ATOM 0 HG3 PRO A 652 9.487 -24.291 2.657 1.00 14.11 H new ATOM 0 HD2 PRO A 652 7.504 -23.332 4.188 1.00 52.44 H new ATOM 0 HD3 PRO A 652 8.932 -22.368 3.871 1.00 52.44 H new ATOM 1959 N VAL A 653 6.095 -22.552 -0.747 1.00 61.20 N ATOM 1960 CA VAL A 653 4.937 -23.076 -1.488 1.00 4.02 C ATOM 1961 C VAL A 653 5.386 -23.830 -2.739 1.00 11.53 C ATOM 1962 O VAL A 653 6.559 -23.786 -3.120 1.00 32.44 O ATOM 1963 CB VAL A 653 3.920 -21.941 -1.865 1.00 75.13 C ATOM 1964 CG1 VAL A 653 3.364 -21.272 -0.594 1.00 44.11 C ATOM 1965 CG2 VAL A 653 4.555 -20.889 -2.766 1.00 21.15 C ATOM 0 H VAL A 653 6.775 -22.057 -1.324 1.00 61.20 H new ATOM 0 HA VAL A 653 4.422 -23.773 -0.827 1.00 4.02 H new ATOM 0 HB VAL A 653 3.103 -22.408 -2.415 1.00 75.13 H new ATOM 0 HG11 VAL A 653 2.661 -20.488 -0.874 1.00 44.11 H new ATOM 0 HG12 VAL A 653 2.853 -22.017 0.016 1.00 44.11 H new ATOM 0 HG13 VAL A 653 4.184 -20.837 -0.023 1.00 44.11 H new ATOM 0 HG21 VAL A 653 3.819 -20.121 -3.004 1.00 21.15 H new ATOM 0 HG22 VAL A 653 5.401 -20.433 -2.252 1.00 21.15 H new ATOM 0 HG23 VAL A 653 4.900 -21.359 -3.687 1.00 21.15 H new ATOM 1975 N LEU A 654 4.454 -24.554 -3.341 1.00 60.21 N ATOM 1976 CA LEU A 654 4.726 -25.343 -4.540 1.00 44.33 C ATOM 1977 C LEU A 654 4.826 -24.400 -5.730 1.00 74.43 C ATOM 1978 O LEU A 654 4.251 -23.315 -5.716 1.00 62.22 O ATOM 1979 CB LEU A 654 3.586 -26.348 -4.807 1.00 41.32 C ATOM 1980 CG LEU A 654 3.381 -27.579 -3.899 1.00 15.33 C ATOM 1981 CD1 LEU A 654 4.653 -28.416 -3.816 1.00 50.21 C ATOM 1982 CD2 LEU A 654 2.864 -27.219 -2.506 1.00 60.53 C ATOM 0 H LEU A 654 3.489 -24.613 -3.015 1.00 60.21 H new ATOM 0 HA LEU A 654 5.656 -25.893 -4.395 1.00 44.33 H new ATOM 0 HB2 LEU A 654 2.654 -25.784 -4.794 1.00 41.32 H new ATOM 0 HB3 LEU A 654 3.720 -26.720 -5.823 1.00 41.32 H new ATOM 0 HG LEU A 654 2.601 -28.180 -4.367 1.00 15.33 H new ATOM 0 HD11 LEU A 654 4.481 -29.277 -3.170 1.00 50.21 H new ATOM 0 HD12 LEU A 654 4.928 -28.760 -4.813 1.00 50.21 H new ATOM 0 HD13 LEU A 654 5.461 -27.810 -3.405 1.00 50.21 H new ATOM 0 HD21 LEU A 654 2.741 -28.128 -1.917 1.00 60.53 H new ATOM 0 HD22 LEU A 654 3.578 -26.560 -2.012 1.00 60.53 H new ATOM 0 HD23 LEU A 654 1.903 -26.711 -2.594 1.00 60.53 H new ATOM 1994 N GLY A 655 5.546 -24.834 -6.755 1.00 13.01 N ATOM 1995 CA GLY A 655 5.685 -24.051 -7.970 1.00 75.42 C ATOM 1996 C GLY A 655 4.630 -24.299 -9.012 1.00 62.44 C ATOM 1997 O GLY A 655 3.569 -24.859 -8.751 1.00 64.11 O ATOM 0 H GLY A 655 6.042 -25.725 -6.767 1.00 13.01 H new ATOM 0 HA2 GLY A 655 5.672 -22.994 -7.706 1.00 75.42 H new ATOM 0 HA3 GLY A 655 6.662 -24.258 -8.408 1.00 75.42 H new ATOM 2001 N GLU A 656 4.950 -23.853 -10.212 1.00 11.52 N ATOM 2002 CA GLU A 656 4.056 -23.923 -11.358 1.00 11.22 C ATOM 2003 C GLU A 656 4.014 -25.342 -11.925 1.00 33.31 C ATOM 2004 O GLU A 656 2.974 -25.806 -12.381 1.00 4.52 O ATOM 2005 CB GLU A 656 4.548 -22.941 -12.430 1.00 15.44 C ATOM 2006 CG GLU A 656 4.542 -21.456 -11.988 1.00 51.22 C ATOM 2007 CD GLU A 656 5.659 -21.093 -10.984 1.00 62.22 C ATOM 2008 OE1 GLU A 656 6.693 -21.807 -10.920 1.00 55.01 O ATOM 2009 OE2 GLU A 656 5.469 -20.123 -10.221 1.00 33.22 O ATOM 0 H GLU A 656 5.851 -23.425 -10.424 1.00 11.52 H new ATOM 0 HA GLU A 656 3.047 -23.656 -11.045 1.00 11.22 H new ATOM 0 HB2 GLU A 656 5.562 -23.217 -12.721 1.00 15.44 H new ATOM 0 HB3 GLU A 656 3.923 -23.046 -13.316 1.00 15.44 H new ATOM 0 HG2 GLU A 656 4.642 -20.825 -12.871 1.00 51.22 H new ATOM 0 HG3 GLU A 656 3.576 -21.225 -11.539 1.00 51.22 H new ATOM 2016 N HIS A 657 5.144 -26.037 -11.860 1.00 4.40 N ATOM 2017 CA HIS A 657 5.238 -27.434 -12.311 1.00 44.41 C ATOM 2018 C HIS A 657 6.054 -28.306 -11.327 1.00 1.31 C ATOM 2019 O HIS A 657 7.147 -28.777 -11.639 1.00 0.12 O ATOM 2020 CB HIS A 657 5.809 -27.509 -13.740 1.00 61.13 C ATOM 2021 CG HIS A 657 6.960 -26.582 -13.998 1.00 1.24 C ATOM 2022 ND1 HIS A 657 7.012 -25.221 -14.054 1.00 22.11 N flip ATOM 2023 CD2 HIS A 657 8.236 -26.995 -14.269 1.00 22.24 C flip ATOM 2024 CE1 HIS A 657 8.294 -24.805 -14.340 1.00 33.11 C flip ATOM 2025 NE2 HIS A 657 8.990 -25.917 -14.471 1.00 11.20 N flip ATOM 0 H HIS A 657 6.019 -25.658 -11.497 1.00 4.40 H new ATOM 0 HA HIS A 657 4.228 -27.843 -12.329 1.00 44.41 H new ATOM 0 HB2 HIS A 657 6.131 -28.532 -13.936 1.00 61.13 H new ATOM 0 HB3 HIS A 657 5.012 -27.285 -14.449 1.00 61.13 H new ATOM 0 HD2 HIS A 657 8.573 -28.020 -14.312 1.00 22.24 H new ATOM 0 HE1 HIS A 657 8.651 -23.790 -14.436 1.00 33.11 H new ATOM 0 HE2 HIS A 657 9.984 -25.947 -14.699 1.00 11.20 H new ATOM 2033 N PRO A 658 5.522 -28.535 -10.108 1.00 75.34 N ATOM 2034 CA PRO A 658 6.158 -29.348 -9.061 1.00 20.33 C ATOM 2035 C PRO A 658 5.947 -30.851 -9.263 1.00 54.44 C ATOM 2036 O PRO A 658 5.756 -31.613 -8.307 1.00 54.42 O ATOM 2037 CB PRO A 658 5.435 -28.869 -7.810 1.00 13.41 C ATOM 2038 CG PRO A 658 4.067 -28.629 -8.278 1.00 51.45 C ATOM 2039 CD PRO A 658 4.236 -27.998 -9.627 1.00 53.43 C ATOM 0 HA PRO A 658 7.241 -29.230 -9.038 1.00 20.33 H new ATOM 0 HB2 PRO A 658 5.463 -29.618 -7.018 1.00 13.41 H new ATOM 0 HB3 PRO A 658 5.887 -27.962 -7.407 1.00 13.41 H new ATOM 0 HG2 PRO A 658 3.501 -29.558 -8.343 1.00 51.45 H new ATOM 0 HG3 PRO A 658 3.525 -27.972 -7.598 1.00 51.45 H new ATOM 0 HD2 PRO A 658 3.417 -28.261 -10.297 1.00 53.43 H new ATOM 0 HD3 PRO A 658 4.257 -26.910 -9.560 1.00 53.43 H new ATOM 2047 N LYS A 659 5.904 -31.251 -10.521 1.00 13.42 N ATOM 2048 CA LYS A 659 5.628 -32.625 -10.906 1.00 53.30 C ATOM 2049 C LYS A 659 6.271 -32.882 -12.252 1.00 4.41 C ATOM 2050 O LYS A 659 6.489 -31.944 -13.008 1.00 23.11 O ATOM 2051 CB LYS A 659 4.116 -32.835 -10.985 1.00 33.11 C ATOM 2052 CG LYS A 659 3.691 -34.225 -11.492 1.00 71.44 C ATOM 2053 CD LYS A 659 2.218 -34.492 -11.334 1.00 13.21 C ATOM 2054 CE LYS A 659 1.397 -33.421 -11.939 1.00 55.15 C ATOM 2055 NZ LYS A 659 1.686 -33.223 -13.431 1.00 1.31 N ATOM 0 H LYS A 659 6.061 -30.626 -11.312 1.00 13.42 H new ATOM 0 HA LYS A 659 6.035 -33.319 -10.171 1.00 53.30 H new ATOM 0 HB2 LYS A 659 3.688 -32.676 -9.995 1.00 33.11 H new ATOM 0 HB3 LYS A 659 3.690 -32.077 -11.642 1.00 33.11 H new ATOM 0 HG2 LYS A 659 3.959 -34.318 -12.544 1.00 71.44 H new ATOM 0 HG3 LYS A 659 4.251 -34.988 -10.952 1.00 71.44 H new ATOM 0 HD2 LYS A 659 1.970 -35.446 -11.799 1.00 13.21 H new ATOM 0 HD3 LYS A 659 1.976 -34.581 -10.275 1.00 13.21 H new ATOM 0 HE2 LYS A 659 0.342 -33.660 -11.806 1.00 55.15 H new ATOM 0 HE3 LYS A 659 1.581 -32.486 -11.411 1.00 55.15 H new ATOM 0 HZ1 LYS A 659 2.234 -32.349 -13.566 1.00 1.31 H new ATOM 0 HZ2 LYS A 659 2.232 -34.033 -13.789 1.00 1.31 H new ATOM 0 HZ3 LYS A 659 0.789 -33.152 -13.952 1.00 1.31 H new ATOM 2069 N LEU A 660 6.586 -34.141 -12.526 1.00 12.13 N ATOM 2070 CA LEU A 660 7.122 -34.561 -13.812 1.00 52.52 C ATOM 2071 C LEU A 660 6.398 -35.809 -14.284 1.00 33.53 C ATOM 2072 O LEU A 660 6.476 -36.841 -13.627 1.00 41.34 O ATOM 2073 CB LEU A 660 8.628 -34.844 -13.706 1.00 75.00 C ATOM 2074 CG LEU A 660 9.288 -35.377 -14.971 1.00 51.01 C ATOM 2075 CD1 LEU A 660 8.937 -34.506 -16.145 1.00 62.32 C ATOM 2076 CD2 LEU A 660 10.786 -35.441 -14.795 1.00 43.11 C ATOM 0 H LEU A 660 6.476 -34.903 -11.858 1.00 12.13 H new ATOM 0 HA LEU A 660 6.970 -33.756 -14.532 1.00 52.52 H new ATOM 0 HB2 LEU A 660 9.133 -33.923 -13.415 1.00 75.00 H new ATOM 0 HB3 LEU A 660 8.789 -35.563 -12.903 1.00 75.00 H new ATOM 0 HG LEU A 660 8.918 -36.385 -15.160 1.00 51.01 H new ATOM 0 HD11 LEU A 660 9.414 -34.897 -17.044 1.00 62.32 H new ATOM 0 HD12 LEU A 660 7.856 -34.499 -16.282 1.00 62.32 H new ATOM 0 HD13 LEU A 660 9.286 -33.490 -15.961 1.00 62.32 H new ATOM 0 HD21 LEU A 660 11.244 -35.824 -15.707 1.00 43.11 H new ATOM 0 HD22 LEU A 660 11.171 -34.443 -14.587 1.00 43.11 H new ATOM 0 HD23 LEU A 660 11.027 -36.103 -13.963 1.00 43.11 H new ATOM 2088 N GLU A 661 5.712 -35.707 -15.409 1.00 64.33 N ATOM 2089 CA GLU A 661 5.025 -36.840 -16.043 1.00 12.24 C ATOM 2090 C GLU A 661 6.031 -37.657 -16.818 1.00 0.31 C ATOM 2091 O GLU A 661 6.706 -37.130 -17.670 1.00 12.11 O ATOM 2092 CB GLU A 661 3.963 -36.327 -17.022 1.00 21.31 C ATOM 2093 CG GLU A 661 3.416 -37.369 -17.973 1.00 54.24 C ATOM 2094 CD GLU A 661 2.300 -36.803 -18.857 1.00 14.23 C ATOM 2095 OE1 GLU A 661 2.605 -36.136 -19.888 1.00 22.14 O ATOM 2096 OE2 GLU A 661 1.119 -36.992 -18.507 1.00 72.45 O ATOM 0 H GLU A 661 5.610 -34.830 -15.920 1.00 64.33 H new ATOM 0 HA GLU A 661 4.552 -37.446 -15.270 1.00 12.24 H new ATOM 0 HB2 GLU A 661 3.135 -35.908 -16.450 1.00 21.31 H new ATOM 0 HB3 GLU A 661 4.392 -35.513 -17.606 1.00 21.31 H new ATOM 0 HG2 GLU A 661 4.222 -37.746 -18.602 1.00 54.24 H new ATOM 0 HG3 GLU A 661 3.034 -38.216 -17.403 1.00 54.24 H new ATOM 2103 N VAL A 662 6.116 -38.941 -16.539 1.00 5.25 N ATOM 2104 CA VAL A 662 7.054 -39.832 -17.204 1.00 52.25 C ATOM 2105 C VAL A 662 6.242 -40.857 -17.951 1.00 62.22 C ATOM 2106 O VAL A 662 5.277 -41.424 -17.435 1.00 40.45 O ATOM 2107 CB VAL A 662 7.966 -40.561 -16.183 1.00 51.33 C ATOM 2108 CG1 VAL A 662 9.223 -41.151 -16.772 1.00 5.24 C ATOM 2109 CG2 VAL A 662 8.163 -39.763 -14.882 1.00 73.20 C ATOM 0 H VAL A 662 5.534 -39.402 -15.840 1.00 5.25 H new ATOM 0 HA VAL A 662 7.695 -39.254 -17.870 1.00 52.25 H new ATOM 0 HB VAL A 662 7.411 -41.449 -15.881 1.00 51.33 H new ATOM 0 HG11 VAL A 662 9.798 -41.640 -15.986 1.00 5.24 H new ATOM 0 HG12 VAL A 662 8.958 -41.882 -17.536 1.00 5.24 H new ATOM 0 HG13 VAL A 662 9.822 -40.358 -17.220 1.00 5.24 H new ATOM 0 HG21 VAL A 662 8.810 -40.323 -14.206 1.00 73.20 H new ATOM 0 HG22 VAL A 662 8.623 -38.802 -15.111 1.00 73.20 H new ATOM 0 HG23 VAL A 662 7.196 -39.599 -14.406 1.00 73.20 H new ATOM 2119 N ILE A 663 6.654 -41.087 -19.177 1.00 64.34 N ATOM 2120 CA ILE A 663 6.065 -42.104 -20.018 1.00 5.42 C ATOM 2121 C ILE A 663 7.179 -43.111 -20.190 1.00 71.31 C ATOM 2122 O ILE A 663 8.311 -42.731 -20.490 1.00 1.00 O ATOM 2123 CB ILE A 663 5.663 -41.525 -21.395 1.00 1.30 C ATOM 2124 CG1 ILE A 663 4.517 -40.499 -21.249 1.00 51.14 C ATOM 2125 CG2 ILE A 663 5.273 -42.649 -22.352 1.00 35.12 C ATOM 2126 CD1 ILE A 663 3.124 -41.122 -21.080 1.00 23.41 C ATOM 0 H ILE A 663 7.413 -40.570 -19.622 1.00 64.34 H new ATOM 0 HA ILE A 663 5.158 -42.526 -19.585 1.00 5.42 H new ATOM 0 HB ILE A 663 6.524 -41.004 -21.813 1.00 1.30 H new ATOM 0 HG12 ILE A 663 4.723 -39.862 -20.389 1.00 51.14 H new ATOM 0 HG13 ILE A 663 4.509 -39.854 -22.128 1.00 51.14 H new ATOM 0 HG21 ILE A 663 4.993 -42.225 -23.316 1.00 35.12 H new ATOM 0 HG22 ILE A 663 6.119 -43.324 -22.484 1.00 35.12 H new ATOM 0 HG23 ILE A 663 4.429 -43.202 -21.940 1.00 35.12 H new ATOM 0 HD11 ILE A 663 2.381 -40.331 -20.985 1.00 23.41 H new ATOM 0 HD12 ILE A 663 2.892 -41.735 -21.951 1.00 23.41 H new ATOM 0 HD13 ILE A 663 3.109 -41.743 -20.184 1.00 23.41 H new ATOM 2138 N ILE A 664 6.888 -44.382 -19.992 1.00 62.10 N ATOM 2139 CA ILE A 664 7.881 -45.414 -20.219 1.00 34.21 C ATOM 2140 C ILE A 664 7.712 -45.856 -21.674 1.00 62.31 C ATOM 2141 O ILE A 664 6.847 -46.666 -22.000 1.00 64.05 O ATOM 2142 CB ILE A 664 7.760 -46.567 -19.202 1.00 71.44 C ATOM 2143 CG1 ILE A 664 7.713 -45.952 -17.779 1.00 13.43 C ATOM 2144 CG2 ILE A 664 8.947 -47.551 -19.376 1.00 32.05 C ATOM 2145 CD1 ILE A 664 7.893 -46.926 -16.619 1.00 43.32 C ATOM 0 H ILE A 664 5.980 -44.723 -19.677 1.00 62.10 H new ATOM 0 HA ILE A 664 8.892 -45.038 -20.063 1.00 34.21 H new ATOM 0 HB ILE A 664 6.847 -47.140 -19.366 1.00 71.44 H new ATOM 0 HG12 ILE A 664 8.488 -45.189 -17.710 1.00 13.43 H new ATOM 0 HG13 ILE A 664 6.756 -45.446 -17.656 1.00 13.43 H new ATOM 0 HG21 ILE A 664 8.855 -48.363 -18.655 1.00 32.05 H new ATOM 0 HG22 ILE A 664 8.935 -47.960 -20.386 1.00 32.05 H new ATOM 0 HG23 ILE A 664 9.885 -47.022 -19.210 1.00 32.05 H new ATOM 0 HD11 ILE A 664 7.842 -46.382 -15.676 1.00 43.32 H new ATOM 0 HD12 ILE A 664 7.103 -47.677 -16.648 1.00 43.32 H new ATOM 0 HD13 ILE A 664 8.863 -47.416 -16.703 1.00 43.32 H new