USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 533 THR OG1 : rot -170:sc= 0.304 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.128 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.067) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot 180:sc= 0.00451 USER MOD Single : A 548 MET CE :methyl 154:sc= -0.187 (180deg=-1.21) USER MOD Single : A 551 LYS NZ :NH3+ 143:sc= 1.09 (180deg=-0.282) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.0388 USER MOD Single : A 556 SER OG : rot 180:sc= 0 USER MOD Single : A 561 THR OG1 : rot 71:sc= 1.16 USER MOD Single : A 568 THR OG1 : rot -159:sc= 0.343 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 145:sc= 0.69 (180deg=-0.297) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -170:sc= 0.933 (180deg=0.853) USER MOD Single : A 591 ASN : amide:sc= 0.543 K(o=0.54,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -135:sc= 0.154 (180deg=-1.97!) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -141:sc= 0.657 (180deg=-0.331!) USER MOD Single : A 613 ASN : amide:sc= 0.284 K(o=0.28,f=-1.9!) USER MOD Single : A 622 LYS NZ :NH3+ -174:sc= 1.22 (180deg=1.15) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ -178:sc= 1.54 (180deg=1.54) USER MOD Single : A 657 HIS : no HE2:sc= -0.764 K(o=-0.76,f=-2.5!) USER MOD Single : A 659 LYS NZ :NH3+ 154:sc= -0.0299 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 11.022 -18.259 2.349 1.00 22.25 N ATOM 19 CA ALA A 529 11.531 -19.453 1.670 1.00 55.43 C ATOM 20 C ALA A 529 10.985 -19.491 0.226 1.00 40.23 C ATOM 21 O ALA A 529 9.924 -18.942 -0.054 1.00 50.14 O ATOM 22 CB ALA A 529 11.113 -20.690 2.428 1.00 32.55 C ATOM 0 HA ALA A 529 12.620 -19.421 1.636 1.00 55.43 H new ATOM 0 HB1 ALA A 529 11.494 -21.575 1.919 1.00 32.55 H new ATOM 0 HB2 ALA A 529 11.517 -20.651 3.439 1.00 32.55 H new ATOM 0 HB3 ALA A 529 10.025 -20.738 2.474 1.00 32.55 H new ATOM 28 N GLY A 530 11.723 -20.112 -0.691 1.00 12.04 N ATOM 29 CA GLY A 530 11.355 -20.068 -2.099 1.00 0.33 C ATOM 30 C GLY A 530 10.396 -21.107 -2.651 1.00 55.44 C ATOM 31 O GLY A 530 9.982 -22.043 -1.978 1.00 54.12 O ATOM 0 H GLY A 530 12.568 -20.645 -0.486 1.00 12.04 H new ATOM 0 HA2 GLY A 530 10.922 -19.087 -2.293 1.00 0.33 H new ATOM 0 HA3 GLY A 530 12.275 -20.131 -2.680 1.00 0.33 H new ATOM 35 N ILE A 531 10.085 -20.911 -3.928 1.00 42.43 N ATOM 36 CA ILE A 531 9.247 -21.802 -4.735 1.00 23.31 C ATOM 37 C ILE A 531 10.034 -23.078 -5.026 1.00 71.13 C ATOM 38 O ILE A 531 11.244 -23.005 -5.266 1.00 21.33 O ATOM 39 CB ILE A 531 8.882 -21.083 -6.106 1.00 73.34 C ATOM 40 CG1 ILE A 531 7.541 -20.340 -5.992 1.00 64.31 C ATOM 41 CG2 ILE A 531 8.799 -22.069 -7.296 1.00 44.42 C ATOM 42 CD1 ILE A 531 7.592 -19.044 -5.161 1.00 71.13 C ATOM 0 H ILE A 531 10.419 -20.101 -4.451 1.00 42.43 H new ATOM 0 HA ILE A 531 8.329 -22.042 -4.198 1.00 23.31 H new ATOM 0 HB ILE A 531 9.691 -20.379 -6.300 1.00 73.34 H new ATOM 0 HG12 ILE A 531 7.188 -20.099 -6.995 1.00 64.31 H new ATOM 0 HG13 ILE A 531 6.806 -21.011 -5.548 1.00 64.31 H new ATOM 0 HG21 ILE A 531 8.547 -21.522 -8.205 1.00 44.42 H new ATOM 0 HG22 ILE A 531 9.761 -22.564 -7.426 1.00 44.42 H new ATOM 0 HG23 ILE A 531 8.030 -22.816 -7.097 1.00 44.42 H new ATOM 0 HD11 ILE A 531 6.602 -18.589 -5.136 1.00 71.13 H new ATOM 0 HD12 ILE A 531 7.911 -19.276 -4.145 1.00 71.13 H new ATOM 0 HD13 ILE A 531 8.299 -18.349 -5.614 1.00 71.13 H new ATOM 54 N PHE A 532 9.345 -24.216 -5.057 1.00 11.22 N ATOM 55 CA PHE A 532 9.935 -25.499 -5.462 1.00 53.34 C ATOM 56 C PHE A 532 9.219 -26.034 -6.687 1.00 52.34 C ATOM 57 O PHE A 532 7.992 -26.045 -6.738 1.00 54.22 O ATOM 58 CB PHE A 532 9.809 -26.512 -4.348 1.00 33.41 C ATOM 59 CG PHE A 532 10.676 -26.207 -3.182 1.00 22.43 C ATOM 60 CD1 PHE A 532 10.269 -25.294 -2.193 1.00 40.23 C ATOM 61 CD2 PHE A 532 11.933 -26.811 -3.077 1.00 53.32 C ATOM 62 CE1 PHE A 532 11.116 -24.997 -1.106 1.00 61.44 C ATOM 63 CE2 PHE A 532 12.769 -26.523 -2.001 1.00 73.14 C ATOM 64 CZ PHE A 532 12.366 -25.623 -1.012 1.00 3.41 C ATOM 0 H PHE A 532 8.359 -24.280 -4.802 1.00 11.22 H new ATOM 0 HA PHE A 532 10.989 -25.334 -5.688 1.00 53.34 H new ATOM 0 HB2 PHE A 532 8.771 -26.555 -4.020 1.00 33.41 H new ATOM 0 HB3 PHE A 532 10.062 -27.500 -4.733 1.00 33.41 H new ATOM 0 HD1 PHE A 532 9.302 -24.818 -2.267 1.00 40.23 H new ATOM 0 HD2 PHE A 532 12.258 -27.507 -3.837 1.00 53.32 H new ATOM 0 HE1 PHE A 532 10.803 -24.291 -0.350 1.00 61.44 H new ATOM 0 HE2 PHE A 532 13.736 -26.999 -1.931 1.00 73.14 H new ATOM 0 HZ PHE A 532 13.016 -25.410 -0.177 1.00 3.41 H new ATOM 74 N THR A 533 9.982 -26.449 -7.681 1.00 11.22 N ATOM 75 CA THR A 533 9.421 -26.849 -8.967 1.00 62.12 C ATOM 76 C THR A 533 10.414 -27.793 -9.639 1.00 33.20 C ATOM 77 O THR A 533 11.542 -27.915 -9.177 1.00 12.50 O ATOM 78 CB THR A 533 9.179 -25.576 -9.832 1.00 22.35 C ATOM 79 OG1 THR A 533 8.507 -25.923 -11.044 1.00 62.54 O ATOM 80 CG2 THR A 533 10.484 -24.875 -10.159 1.00 73.32 C ATOM 0 H THR A 533 10.998 -26.520 -7.626 1.00 11.22 H new ATOM 0 HA THR A 533 8.467 -27.361 -8.843 1.00 62.12 H new ATOM 0 HB THR A 533 8.557 -24.894 -9.252 1.00 22.35 H new ATOM 0 HG1 THR A 533 8.500 -25.151 -11.647 1.00 62.54 H new ATOM 0 HG21 THR A 533 10.281 -23.991 -10.763 1.00 73.32 H new ATOM 0 HG22 THR A 533 10.978 -24.577 -9.234 1.00 73.32 H new ATOM 0 HG23 THR A 533 11.132 -25.553 -10.714 1.00 73.32 H new ATOM 88 N PHE A 534 10.005 -28.466 -10.705 1.00 43.12 N ATOM 89 CA PHE A 534 10.877 -29.381 -11.435 1.00 62.03 C ATOM 90 C PHE A 534 11.311 -28.742 -12.737 1.00 4.34 C ATOM 91 O PHE A 534 10.762 -27.730 -13.168 1.00 10.31 O ATOM 92 CB PHE A 534 10.163 -30.692 -11.783 1.00 2.33 C ATOM 93 CG PHE A 534 9.842 -31.572 -10.606 1.00 21.34 C ATOM 94 CD1 PHE A 534 10.224 -31.276 -9.284 1.00 73.20 C ATOM 95 CD2 PHE A 534 9.166 -32.756 -10.854 1.00 3.22 C ATOM 96 CE1 PHE A 534 9.885 -32.157 -8.228 1.00 50.41 C ATOM 97 CE2 PHE A 534 8.837 -33.656 -9.819 1.00 22.52 C ATOM 98 CZ PHE A 534 9.167 -33.349 -8.503 1.00 23.12 C ATOM 0 H PHE A 534 9.063 -28.395 -11.089 1.00 43.12 H new ATOM 0 HA PHE A 534 11.730 -29.594 -10.790 1.00 62.03 H new ATOM 0 HB2 PHE A 534 9.236 -30.456 -12.305 1.00 2.33 H new ATOM 0 HB3 PHE A 534 10.786 -31.254 -12.479 1.00 2.33 H new ATOM 0 HD1 PHE A 534 10.778 -30.373 -9.074 1.00 73.20 H new ATOM 0 HD2 PHE A 534 8.883 -32.996 -11.868 1.00 3.22 H new ATOM 0 HE1 PHE A 534 10.173 -31.921 -7.214 1.00 50.41 H new ATOM 0 HE2 PHE A 534 8.330 -34.582 -10.048 1.00 22.52 H new ATOM 0 HZ PHE A 534 8.880 -34.011 -7.699 1.00 23.12 H new ATOM 108 N GLU A 535 12.298 -29.370 -13.354 1.00 54.41 N ATOM 109 CA GLU A 535 12.858 -28.925 -14.633 1.00 24.44 C ATOM 110 C GLU A 535 11.898 -29.047 -15.808 1.00 71.12 C ATOM 111 O GLU A 535 11.871 -28.195 -16.692 1.00 41.22 O ATOM 112 CB GLU A 535 14.072 -29.795 -14.938 1.00 54.50 C ATOM 113 CG GLU A 535 15.321 -29.357 -14.204 1.00 3.52 C ATOM 114 CD GLU A 535 16.572 -30.096 -14.667 1.00 73.01 C ATOM 115 OE1 GLU A 535 16.446 -31.200 -15.244 1.00 44.32 O ATOM 116 OE2 GLU A 535 17.684 -29.613 -14.370 1.00 5.55 O ATOM 0 H GLU A 535 12.741 -30.211 -12.984 1.00 54.41 H new ATOM 0 HA GLU A 535 13.098 -27.867 -14.523 1.00 24.44 H new ATOM 0 HB2 GLU A 535 13.846 -30.828 -14.673 1.00 54.50 H new ATOM 0 HB3 GLU A 535 14.264 -29.776 -16.011 1.00 54.50 H new ATOM 0 HG2 GLU A 535 15.464 -28.286 -14.348 1.00 3.52 H new ATOM 0 HG3 GLU A 535 15.184 -29.520 -13.135 1.00 3.52 H new ATOM 123 N CYS A 536 11.156 -30.140 -15.845 1.00 60.43 N ATOM 124 CA CYS A 536 10.255 -30.433 -16.954 1.00 23.41 C ATOM 125 C CYS A 536 8.984 -31.041 -16.400 1.00 53.31 C ATOM 126 O CYS A 536 8.945 -31.442 -15.240 1.00 1.12 O ATOM 127 CB CYS A 536 10.914 -31.424 -17.921 1.00 40.43 C ATOM 128 SG CYS A 536 12.448 -30.800 -18.653 1.00 51.41 S ATOM 0 H CYS A 536 11.158 -30.849 -15.112 1.00 60.43 H new ATOM 0 HA CYS A 536 10.029 -29.513 -17.493 1.00 23.41 H new ATOM 0 HB2 CYS A 536 11.124 -32.353 -17.391 1.00 40.43 H new ATOM 0 HB3 CYS A 536 10.211 -31.665 -18.718 1.00 40.43 H new ATOM 0 HG CYS A 536 12.942 -31.696 -19.455 1.00 51.41 H new ATOM 134 N ASP A 537 7.963 -31.134 -17.241 1.00 61.14 N ATOM 135 CA ASP A 537 6.679 -31.709 -16.850 1.00 22.42 C ATOM 136 C ASP A 537 6.257 -32.894 -17.731 1.00 64.11 C ATOM 137 O ASP A 537 5.214 -33.472 -17.500 1.00 21.13 O ATOM 138 CB ASP A 537 5.597 -30.627 -16.842 1.00 51.53 C ATOM 139 CG ASP A 537 5.590 -29.793 -18.106 1.00 11.40 C ATOM 140 OD1 ASP A 537 6.003 -30.281 -19.182 1.00 41.22 O ATOM 141 OD2 ASP A 537 5.277 -28.587 -17.982 1.00 42.40 O ATOM 0 H ASP A 537 7.999 -30.815 -18.209 1.00 61.14 H new ATOM 0 HA ASP A 537 6.803 -32.106 -15.842 1.00 22.42 H new ATOM 0 HB2 ASP A 537 4.621 -31.097 -16.717 1.00 51.53 H new ATOM 0 HB3 ASP A 537 5.749 -29.974 -15.983 1.00 51.53 H new ATOM 146 N THR A 538 7.099 -33.299 -18.678 1.00 22.14 N ATOM 147 CA THR A 538 6.858 -34.483 -19.514 1.00 33.41 C ATOM 148 C THR A 538 8.221 -35.142 -19.830 1.00 75.50 C ATOM 149 O THR A 538 9.136 -34.467 -20.301 1.00 41.30 O ATOM 150 CB THR A 538 6.201 -34.082 -20.856 1.00 53.41 C ATOM 151 OG1 THR A 538 5.036 -33.291 -20.604 1.00 10.11 O ATOM 152 CG2 THR A 538 5.773 -35.303 -21.651 1.00 51.23 C ATOM 0 H THR A 538 7.972 -32.817 -18.892 1.00 22.14 H new ATOM 0 HA THR A 538 6.197 -35.164 -18.978 1.00 33.41 H new ATOM 0 HB THR A 538 6.940 -33.521 -21.428 1.00 53.41 H new ATOM 0 HG1 THR A 538 4.623 -33.037 -21.455 1.00 10.11 H new ATOM 0 HG21 THR A 538 5.315 -34.985 -22.588 1.00 51.23 H new ATOM 0 HG22 THR A 538 6.644 -35.922 -21.865 1.00 51.23 H new ATOM 0 HG23 THR A 538 5.052 -35.880 -21.072 1.00 51.23 H new ATOM 160 N ILE A 539 8.354 -36.436 -19.560 1.00 13.11 N ATOM 161 CA ILE A 539 9.573 -37.203 -19.800 1.00 52.05 C ATOM 162 C ILE A 539 9.186 -38.594 -20.298 1.00 3.40 C ATOM 163 O ILE A 539 8.060 -39.042 -20.098 1.00 12.52 O ATOM 164 CB ILE A 539 10.429 -37.322 -18.491 1.00 34.24 C ATOM 165 CG1 ILE A 539 11.923 -37.465 -18.844 1.00 42.04 C ATOM 166 CG2 ILE A 539 9.856 -38.447 -17.487 1.00 21.51 C ATOM 167 CD1 ILE A 539 12.539 -38.771 -18.476 1.00 13.33 C ATOM 0 H ILE A 539 7.600 -36.994 -19.159 1.00 13.11 H new ATOM 0 HA ILE A 539 10.177 -36.690 -20.549 1.00 52.05 H new ATOM 0 HB ILE A 539 10.341 -36.398 -17.920 1.00 34.24 H new ATOM 0 HG12 ILE A 539 12.043 -37.314 -19.917 1.00 42.04 H new ATOM 0 HG13 ILE A 539 12.475 -36.668 -18.347 1.00 42.04 H new ATOM 0 HG21 ILE A 539 10.482 -38.492 -16.596 1.00 21.51 H new ATOM 0 HG22 ILE A 539 8.835 -38.194 -17.201 1.00 21.51 H new ATOM 0 HG23 ILE A 539 9.863 -39.417 -17.985 1.00 21.51 H new ATOM 0 HD11 ILE A 539 13.590 -38.772 -18.765 1.00 13.33 H new ATOM 0 HD12 ILE A 539 12.459 -38.921 -17.399 1.00 13.33 H new ATOM 0 HD13 ILE A 539 12.019 -39.577 -18.994 1.00 13.33 H new ATOM 179 N HIS A 540 10.124 -39.275 -20.930 1.00 22.31 N ATOM 180 CA HIS A 540 9.958 -40.677 -21.298 1.00 32.31 C ATOM 181 C HIS A 540 11.157 -41.404 -20.735 1.00 30.02 C ATOM 182 O HIS A 540 12.294 -41.012 -20.985 1.00 35.43 O ATOM 183 CB HIS A 540 9.891 -40.878 -22.811 1.00 73.11 C ATOM 184 CG HIS A 540 8.526 -40.654 -23.387 1.00 54.10 C ATOM 185 ND1 HIS A 540 7.974 -41.456 -24.386 1.00 1.45 N ATOM 186 CD2 HIS A 540 7.563 -39.732 -23.116 1.00 30.52 C ATOM 187 CE1 HIS A 540 6.753 -41.021 -24.661 1.00 41.53 C ATOM 188 NE2 HIS A 540 6.490 -39.983 -23.912 1.00 71.34 N ATOM 0 H HIS A 540 11.022 -38.877 -21.204 1.00 22.31 H new ATOM 0 HA HIS A 540 9.017 -41.057 -20.900 1.00 32.31 H new ATOM 0 HB2 HIS A 540 10.595 -40.198 -23.291 1.00 73.11 H new ATOM 0 HB3 HIS A 540 10.215 -41.891 -23.049 1.00 73.11 H new ATOM 0 HD2 HIS A 540 7.638 -38.935 -22.391 1.00 30.52 H new ATOM 0 HE1 HIS A 540 6.082 -41.455 -25.388 1.00 41.53 H new ATOM 0 HE2 HIS A 540 5.621 -39.448 -23.923 1.00 71.34 H new ATOM 196 N VAL A 541 10.891 -42.427 -19.949 1.00 5.12 N ATOM 197 CA VAL A 541 11.928 -43.285 -19.380 1.00 62.33 C ATOM 198 C VAL A 541 11.704 -44.640 -20.027 1.00 43.50 C ATOM 199 O VAL A 541 10.730 -44.808 -20.737 1.00 3.33 O ATOM 200 CB VAL A 541 11.828 -43.377 -17.820 1.00 43.04 C ATOM 201 CG1 VAL A 541 12.028 -42.008 -17.200 1.00 30.21 C ATOM 202 CG2 VAL A 541 10.488 -43.936 -17.364 1.00 41.24 C ATOM 0 H VAL A 541 9.944 -42.694 -19.681 1.00 5.12 H new ATOM 0 HA VAL A 541 12.925 -42.891 -19.576 1.00 62.33 H new ATOM 0 HB VAL A 541 12.613 -44.058 -17.490 1.00 43.04 H new ATOM 0 HG11 VAL A 541 11.956 -42.086 -16.115 1.00 30.21 H new ATOM 0 HG12 VAL A 541 13.012 -41.626 -17.472 1.00 30.21 H new ATOM 0 HG13 VAL A 541 11.260 -41.327 -17.567 1.00 30.21 H new ATOM 0 HG21 VAL A 541 10.464 -43.982 -16.275 1.00 41.24 H new ATOM 0 HG22 VAL A 541 9.685 -43.290 -17.718 1.00 41.24 H new ATOM 0 HG23 VAL A 541 10.354 -44.938 -17.772 1.00 41.24 H new ATOM 212 N SER A 542 12.578 -45.593 -19.779 1.00 62.42 N ATOM 213 CA SER A 542 12.420 -46.947 -20.300 1.00 72.01 C ATOM 214 C SER A 542 12.802 -47.835 -19.140 1.00 43.01 C ATOM 215 O SER A 542 13.447 -47.364 -18.233 1.00 1.22 O ATOM 216 CB SER A 542 13.350 -47.180 -21.491 1.00 73.00 C ATOM 217 OG SER A 542 13.277 -46.094 -22.406 1.00 44.30 O ATOM 0 H SER A 542 13.416 -45.458 -19.214 1.00 62.42 H new ATOM 0 HA SER A 542 11.410 -47.142 -20.661 1.00 72.01 H new ATOM 0 HB2 SER A 542 14.375 -47.298 -21.140 1.00 73.00 H new ATOM 0 HB3 SER A 542 13.077 -48.107 -21.996 1.00 73.00 H new ATOM 0 HG SER A 542 13.880 -46.261 -23.160 1.00 44.30 H new ATOM 223 N GLU A 543 12.422 -49.092 -19.159 1.00 12.42 N ATOM 224 CA GLU A 543 12.714 -50.035 -18.066 1.00 32.34 C ATOM 225 C GLU A 543 14.217 -50.141 -17.816 1.00 54.14 C ATOM 226 O GLU A 543 14.697 -50.164 -16.681 1.00 11.20 O ATOM 227 CB GLU A 543 12.165 -51.436 -18.405 1.00 22.31 C ATOM 228 CG GLU A 543 10.887 -51.449 -19.264 1.00 61.03 C ATOM 229 CD GLU A 543 11.160 -51.074 -20.732 1.00 4.31 C ATOM 230 OE1 GLU A 543 12.064 -51.664 -21.349 1.00 55.54 O ATOM 231 OE2 GLU A 543 10.639 -50.017 -21.165 1.00 1.50 O ATOM 0 H GLU A 543 11.898 -49.506 -19.930 1.00 12.42 H new ATOM 0 HA GLU A 543 12.230 -49.655 -17.167 1.00 32.34 H new ATOM 0 HB2 GLU A 543 12.941 -51.996 -18.928 1.00 22.31 H new ATOM 0 HB3 GLU A 543 11.963 -51.965 -17.473 1.00 22.31 H new ATOM 0 HG2 GLU A 543 10.436 -52.440 -19.223 1.00 61.03 H new ATOM 0 HG3 GLU A 543 10.163 -50.752 -18.843 1.00 61.03 H new ATOM 238 N SER A 544 14.954 -50.142 -18.915 1.00 14.31 N ATOM 239 CA SER A 544 16.400 -50.339 -18.916 1.00 71.41 C ATOM 240 C SER A 544 17.183 -49.199 -18.282 1.00 2.24 C ATOM 241 O SER A 544 18.392 -49.298 -18.085 1.00 11.23 O ATOM 242 CB SER A 544 16.864 -50.507 -20.357 1.00 54.14 C ATOM 243 OG SER A 544 16.016 -51.408 -21.048 1.00 62.11 O ATOM 0 H SER A 544 14.562 -50.004 -19.846 1.00 14.31 H new ATOM 0 HA SER A 544 16.596 -51.224 -18.311 1.00 71.41 H new ATOM 0 HB2 SER A 544 16.865 -49.540 -20.860 1.00 54.14 H new ATOM 0 HB3 SER A 544 17.889 -50.877 -20.375 1.00 54.14 H new ATOM 0 HG SER A 544 16.325 -51.505 -21.973 1.00 62.11 H new ATOM 249 N ILE A 545 16.500 -48.109 -17.968 1.00 4.44 N ATOM 250 CA ILE A 545 17.136 -46.971 -17.323 1.00 34.12 C ATOM 251 C ILE A 545 17.542 -47.347 -15.893 1.00 25.15 C ATOM 252 O ILE A 545 18.462 -46.753 -15.317 1.00 61.04 O ATOM 253 CB ILE A 545 16.161 -45.766 -17.291 1.00 41.04 C ATOM 254 CG1 ILE A 545 16.937 -44.460 -17.087 1.00 74.23 C ATOM 255 CG2 ILE A 545 15.073 -45.973 -16.216 1.00 40.03 C ATOM 256 CD1 ILE A 545 16.060 -43.281 -16.737 1.00 12.13 C ATOM 0 H ILE A 545 15.504 -47.988 -18.150 1.00 4.44 H new ATOM 0 HA ILE A 545 18.025 -46.693 -17.889 1.00 34.12 H new ATOM 0 HB ILE A 545 15.650 -45.696 -18.251 1.00 41.04 H new ATOM 0 HG12 ILE A 545 17.671 -44.604 -16.294 1.00 74.23 H new ATOM 0 HG13 ILE A 545 17.492 -44.231 -17.997 1.00 74.23 H new ATOM 0 HG21 ILE A 545 14.399 -45.116 -16.210 1.00 40.03 H new ATOM 0 HG22 ILE A 545 14.508 -46.878 -16.440 1.00 40.03 H new ATOM 0 HG23 ILE A 545 15.543 -46.072 -15.237 1.00 40.03 H new ATOM 0 HD11 ILE A 545 16.679 -42.393 -16.608 1.00 12.13 H new ATOM 0 HD12 ILE A 545 15.343 -43.110 -17.540 1.00 12.13 H new ATOM 0 HD13 ILE A 545 15.525 -43.488 -15.810 1.00 12.13 H new ATOM 268 N GLY A 546 16.841 -48.310 -15.302 1.00 31.14 N ATOM 269 CA GLY A 546 17.112 -48.684 -13.930 1.00 14.22 C ATOM 270 C GLY A 546 16.448 -47.769 -12.934 1.00 75.53 C ATOM 271 O GLY A 546 15.564 -48.162 -12.178 1.00 21.54 O ATOM 0 H GLY A 546 16.091 -48.836 -15.750 1.00 31.14 H new ATOM 0 HA2 GLY A 546 16.770 -49.705 -13.762 1.00 14.22 H new ATOM 0 HA3 GLY A 546 18.189 -48.676 -13.762 1.00 14.22 H new ATOM 275 N VAL A 547 16.922 -46.536 -12.898 1.00 61.24 N ATOM 276 CA VAL A 547 16.450 -45.552 -11.942 1.00 2.01 C ATOM 277 C VAL A 547 16.260 -44.208 -12.639 1.00 23.12 C ATOM 278 O VAL A 547 17.204 -43.622 -13.163 1.00 61.22 O ATOM 279 CB VAL A 547 17.466 -45.403 -10.775 1.00 15.22 C ATOM 280 CG1 VAL A 547 16.998 -44.346 -9.780 1.00 42.43 C ATOM 281 CG2 VAL A 547 17.655 -46.743 -10.032 1.00 21.51 C ATOM 0 H VAL A 547 17.644 -46.190 -13.530 1.00 61.24 H new ATOM 0 HA VAL A 547 15.496 -45.885 -11.534 1.00 2.01 H new ATOM 0 HB VAL A 547 18.417 -45.096 -11.210 1.00 15.22 H new ATOM 0 HG11 VAL A 547 17.725 -44.259 -8.972 1.00 42.43 H new ATOM 0 HG12 VAL A 547 16.903 -43.386 -10.287 1.00 42.43 H new ATOM 0 HG13 VAL A 547 16.031 -44.636 -9.369 1.00 42.43 H new ATOM 0 HG21 VAL A 547 18.371 -46.611 -9.220 1.00 21.51 H new ATOM 0 HG22 VAL A 547 16.699 -47.070 -9.623 1.00 21.51 H new ATOM 0 HG23 VAL A 547 18.029 -47.495 -10.727 1.00 21.51 H new ATOM 291 N MET A 548 15.030 -43.720 -12.632 1.00 25.23 N ATOM 292 CA MET A 548 14.705 -42.424 -13.206 1.00 50.50 C ATOM 293 C MET A 548 15.034 -41.335 -12.201 1.00 31.14 C ATOM 294 O MET A 548 15.026 -41.578 -10.988 1.00 51.13 O ATOM 295 CB MET A 548 13.231 -42.370 -13.611 1.00 15.02 C ATOM 296 CG MET A 548 12.264 -41.926 -12.505 1.00 20.32 C ATOM 297 SD MET A 548 12.042 -40.139 -12.433 1.00 0.00 S ATOM 298 CE MET A 548 11.231 -39.845 -14.012 1.00 12.34 C ATOM 0 H MET A 548 14.231 -44.209 -12.229 1.00 25.23 H new ATOM 0 HA MET A 548 15.300 -42.267 -14.106 1.00 50.50 H new ATOM 0 HB2 MET A 548 13.128 -41.689 -14.456 1.00 15.02 H new ATOM 0 HB3 MET A 548 12.930 -43.358 -13.959 1.00 15.02 H new ATOM 0 HG2 MET A 548 11.296 -42.400 -12.666 1.00 20.32 H new ATOM 0 HG3 MET A 548 12.636 -42.279 -11.543 1.00 20.32 H new ATOM 0 HE1 MET A 548 10.627 -38.940 -13.948 1.00 12.34 H new ATOM 0 HE2 MET A 548 11.984 -39.724 -14.791 1.00 12.34 H new ATOM 0 HE3 MET A 548 10.590 -40.692 -14.255 1.00 12.34 H new ATOM 308 N GLU A 549 15.319 -40.139 -12.692 1.00 34.12 N ATOM 309 CA GLU A 549 15.537 -38.999 -11.813 1.00 23.13 C ATOM 310 C GLU A 549 14.779 -37.771 -12.230 1.00 4.22 C ATOM 311 O GLU A 549 14.704 -37.415 -13.405 1.00 40.33 O ATOM 312 CB GLU A 549 17.024 -38.639 -11.730 1.00 2.14 C ATOM 313 CG GLU A 549 17.571 -38.483 -10.340 1.00 4.12 C ATOM 314 CD GLU A 549 19.049 -38.117 -10.357 1.00 5.32 C ATOM 315 OE1 GLU A 549 19.533 -37.612 -11.398 1.00 42.13 O ATOM 316 OE2 GLU A 549 19.716 -38.261 -9.310 1.00 53.50 O ATOM 0 H GLU A 549 15.405 -39.932 -13.687 1.00 34.12 H new ATOM 0 HA GLU A 549 15.165 -39.316 -10.839 1.00 23.13 H new ATOM 0 HB2 GLU A 549 17.597 -39.411 -12.243 1.00 2.14 H new ATOM 0 HB3 GLU A 549 17.186 -37.708 -12.273 1.00 2.14 H new ATOM 0 HG2 GLU A 549 17.011 -37.711 -9.812 1.00 4.12 H new ATOM 0 HG3 GLU A 549 17.432 -39.412 -9.787 1.00 4.12 H new ATOM 323 N VAL A 550 14.301 -37.080 -11.215 1.00 22.13 N ATOM 324 CA VAL A 550 13.637 -35.810 -11.369 1.00 4.42 C ATOM 325 C VAL A 550 14.565 -34.804 -10.741 1.00 42.34 C ATOM 326 O VAL A 550 15.046 -35.027 -9.644 1.00 12.44 O ATOM 327 CB VAL A 550 12.265 -35.819 -10.629 1.00 64.14 C ATOM 328 CG1 VAL A 550 12.032 -34.553 -9.853 1.00 12.43 C ATOM 329 CG2 VAL A 550 11.194 -36.066 -11.598 1.00 23.30 C ATOM 0 H VAL A 550 14.366 -37.394 -10.247 1.00 22.13 H new ATOM 0 HA VAL A 550 13.431 -35.581 -12.415 1.00 4.42 H new ATOM 0 HB VAL A 550 12.272 -36.624 -9.894 1.00 64.14 H new ATOM 0 HG11 VAL A 550 11.064 -34.605 -9.354 1.00 12.43 H new ATOM 0 HG12 VAL A 550 12.818 -34.433 -9.108 1.00 12.43 H new ATOM 0 HG13 VAL A 550 12.044 -33.702 -10.534 1.00 12.43 H new ATOM 0 HG21 VAL A 550 10.233 -36.073 -11.084 1.00 23.30 H new ATOM 0 HG22 VAL A 550 11.197 -35.279 -12.352 1.00 23.30 H new ATOM 0 HG23 VAL A 550 11.355 -37.030 -12.080 1.00 23.30 H new ATOM 339 N LYS A 551 14.824 -33.703 -11.425 1.00 34.53 N ATOM 340 CA LYS A 551 15.621 -32.622 -10.859 1.00 21.30 C ATOM 341 C LYS A 551 14.644 -31.617 -10.269 1.00 41.21 C ATOM 342 O LYS A 551 13.707 -31.178 -10.939 1.00 35.04 O ATOM 343 CB LYS A 551 16.475 -31.954 -11.933 1.00 23.44 C ATOM 344 CG LYS A 551 17.834 -32.618 -12.218 1.00 34.22 C ATOM 345 CD LYS A 551 17.713 -33.999 -12.877 1.00 60.23 C ATOM 346 CE LYS A 551 19.092 -34.566 -13.187 1.00 42.34 C ATOM 347 NZ LYS A 551 19.015 -35.981 -13.684 1.00 72.44 N ATOM 0 H LYS A 551 14.495 -33.531 -12.375 1.00 34.53 H new ATOM 0 HA LYS A 551 16.301 -33.007 -10.099 1.00 21.30 H new ATOM 0 HB2 LYS A 551 15.903 -31.928 -12.861 1.00 23.44 H new ATOM 0 HB3 LYS A 551 16.652 -30.920 -11.638 1.00 23.44 H new ATOM 0 HG2 LYS A 551 18.420 -31.965 -12.865 1.00 34.22 H new ATOM 0 HG3 LYS A 551 18.385 -32.717 -11.282 1.00 34.22 H new ATOM 0 HD2 LYS A 551 17.175 -34.678 -12.216 1.00 60.23 H new ATOM 0 HD3 LYS A 551 17.131 -33.920 -13.795 1.00 60.23 H new ATOM 0 HE2 LYS A 551 19.581 -33.944 -13.937 1.00 42.34 H new ATOM 0 HE3 LYS A 551 19.710 -34.529 -12.290 1.00 42.34 H new ATOM 0 HZ1 LYS A 551 19.733 -36.130 -14.421 1.00 72.44 H new ATOM 0 HZ2 LYS A 551 19.188 -36.636 -12.895 1.00 72.44 H new ATOM 0 HZ3 LYS A 551 18.070 -36.159 -14.081 1.00 72.44 H new ATOM 361 N VAL A 552 14.856 -31.289 -9.007 1.00 64.55 N ATOM 362 CA VAL A 552 14.016 -30.357 -8.270 1.00 33.10 C ATOM 363 C VAL A 552 14.795 -29.075 -8.031 1.00 22.32 C ATOM 364 O VAL A 552 15.886 -29.107 -7.460 1.00 65.44 O ATOM 365 CB VAL A 552 13.636 -30.907 -6.867 1.00 53.33 C ATOM 366 CG1 VAL A 552 12.466 -30.095 -6.288 1.00 71.12 C ATOM 367 CG2 VAL A 552 13.283 -32.395 -6.920 1.00 74.12 C ATOM 0 H VAL A 552 15.627 -31.667 -8.456 1.00 64.55 H new ATOM 0 HA VAL A 552 13.114 -30.197 -8.861 1.00 33.10 H new ATOM 0 HB VAL A 552 14.504 -30.802 -6.216 1.00 53.33 H new ATOM 0 HG11 VAL A 552 12.204 -30.485 -5.304 1.00 71.12 H new ATOM 0 HG12 VAL A 552 12.759 -29.049 -6.197 1.00 71.12 H new ATOM 0 HG13 VAL A 552 11.605 -30.174 -6.951 1.00 71.12 H new ATOM 0 HG21 VAL A 552 13.023 -32.743 -5.920 1.00 74.12 H new ATOM 0 HG22 VAL A 552 12.435 -32.544 -7.588 1.00 74.12 H new ATOM 0 HG23 VAL A 552 14.139 -32.959 -7.289 1.00 74.12 H new ATOM 377 N LEU A 553 14.246 -27.956 -8.465 1.00 74.43 N ATOM 378 CA LEU A 553 14.868 -26.668 -8.293 1.00 0.31 C ATOM 379 C LEU A 553 14.172 -25.902 -7.182 1.00 72.25 C ATOM 380 O LEU A 553 13.015 -26.176 -6.836 1.00 62.10 O ATOM 381 CB LEU A 553 14.759 -25.853 -9.581 1.00 31.23 C ATOM 382 CG LEU A 553 15.179 -26.502 -10.912 1.00 32.05 C ATOM 383 CD1 LEU A 553 16.485 -27.313 -10.828 1.00 41.41 C ATOM 384 CD2 LEU A 553 14.075 -27.338 -11.494 1.00 70.33 C ATOM 0 H LEU A 553 13.349 -27.921 -8.950 1.00 74.43 H new ATOM 0 HA LEU A 553 15.917 -26.825 -8.041 1.00 0.31 H new ATOM 0 HB2 LEU A 553 13.721 -25.535 -9.683 1.00 31.23 H new ATOM 0 HB3 LEU A 553 15.357 -24.951 -9.451 1.00 31.23 H new ATOM 0 HG LEU A 553 15.380 -25.667 -11.583 1.00 32.05 H new ATOM 0 HD11 LEU A 553 16.713 -27.738 -11.805 1.00 41.41 H new ATOM 0 HD12 LEU A 553 17.300 -26.659 -10.518 1.00 41.41 H new ATOM 0 HD13 LEU A 553 16.368 -28.117 -10.101 1.00 41.41 H new ATOM 0 HD21 LEU A 553 14.409 -27.779 -12.433 1.00 70.33 H new ATOM 0 HD22 LEU A 553 13.811 -28.131 -10.794 1.00 70.33 H new ATOM 0 HD23 LEU A 553 13.202 -26.711 -11.678 1.00 70.33 H new ATOM 396 N ARG A 554 14.862 -24.895 -6.675 1.00 21.33 N ATOM 397 CA ARG A 554 14.330 -23.992 -5.660 1.00 24.43 C ATOM 398 C ARG A 554 14.759 -22.597 -6.084 1.00 25.13 C ATOM 399 O ARG A 554 15.903 -22.395 -6.471 1.00 54.11 O ATOM 400 CB ARG A 554 14.897 -24.376 -4.290 1.00 13.24 C ATOM 401 CG ARG A 554 14.441 -23.513 -3.121 1.00 23.54 C ATOM 402 CD ARG A 554 15.212 -23.925 -1.858 1.00 71.41 C ATOM 403 NE ARG A 554 14.809 -23.138 -0.680 1.00 64.44 N ATOM 404 CZ ARG A 554 15.469 -23.099 0.477 1.00 41.10 C ATOM 405 NH1 ARG A 554 16.546 -23.796 0.701 1.00 71.24 N ATOM 406 NH2 ARG A 554 15.045 -22.323 1.436 1.00 13.25 N ATOM 0 H ARG A 554 15.817 -24.676 -6.957 1.00 21.33 H new ATOM 0 HA ARG A 554 13.245 -24.043 -5.574 1.00 24.43 H new ATOM 0 HB2 ARG A 554 14.625 -25.411 -4.082 1.00 13.24 H new ATOM 0 HB3 ARG A 554 15.985 -24.337 -4.344 1.00 13.24 H new ATOM 0 HG2 ARG A 554 14.616 -22.460 -3.341 1.00 23.54 H new ATOM 0 HG3 ARG A 554 13.369 -23.632 -2.962 1.00 23.54 H new ATOM 0 HD2 ARG A 554 15.044 -24.984 -1.661 1.00 71.41 H new ATOM 0 HD3 ARG A 554 16.281 -23.799 -2.029 1.00 71.41 H new ATOM 0 HE ARG A 554 13.959 -22.580 -0.756 1.00 64.44 H new ATOM 0 HH11 ARG A 554 16.919 -24.406 -0.027 1.00 71.24 H new ATOM 0 HH12 ARG A 554 17.016 -23.732 1.604 1.00 71.24 H new ATOM 0 HH21 ARG A 554 14.212 -21.750 1.298 1.00 13.25 H new ATOM 0 HH22 ARG A 554 15.546 -22.289 2.324 1.00 13.25 H new ATOM 420 N THR A 555 13.837 -21.647 -6.082 1.00 73.31 N ATOM 421 CA THR A 555 14.148 -20.290 -6.564 1.00 64.13 C ATOM 422 C THR A 555 15.101 -19.559 -5.601 1.00 43.11 C ATOM 423 O THR A 555 15.404 -20.057 -4.517 1.00 31.13 O ATOM 424 CB THR A 555 12.853 -19.452 -6.804 1.00 35.13 C ATOM 425 OG1 THR A 555 13.153 -18.342 -7.652 1.00 30.35 O ATOM 426 CG2 THR A 555 12.266 -18.903 -5.506 1.00 15.14 C ATOM 0 H THR A 555 12.878 -21.777 -5.759 1.00 73.31 H new ATOM 0 HA THR A 555 14.654 -20.399 -7.523 1.00 64.13 H new ATOM 0 HB THR A 555 12.123 -20.120 -7.261 1.00 35.13 H new ATOM 0 HG1 THR A 555 12.339 -17.817 -7.804 1.00 30.35 H new ATOM 0 HG21 THR A 555 11.367 -18.328 -5.728 1.00 15.14 H new ATOM 0 HG22 THR A 555 12.013 -19.730 -4.843 1.00 15.14 H new ATOM 0 HG23 THR A 555 12.998 -18.258 -5.020 1.00 15.14 H new ATOM 434 N SER A 556 15.528 -18.354 -5.976 1.00 32.33 N ATOM 435 CA SER A 556 16.466 -17.538 -5.181 1.00 33.32 C ATOM 436 C SER A 556 15.889 -17.014 -3.859 1.00 72.25 C ATOM 437 O SER A 556 16.549 -16.309 -3.091 1.00 2.15 O ATOM 438 CB SER A 556 16.939 -16.360 -6.028 1.00 31.02 C ATOM 439 OG SER A 556 15.827 -15.584 -6.443 1.00 23.31 O ATOM 0 H SER A 556 15.235 -17.907 -6.845 1.00 32.33 H new ATOM 0 HA SER A 556 17.291 -18.197 -4.908 1.00 33.32 H new ATOM 0 HB2 SER A 556 17.630 -15.743 -5.454 1.00 31.02 H new ATOM 0 HB3 SER A 556 17.485 -16.723 -6.899 1.00 31.02 H new ATOM 0 HG SER A 556 16.139 -14.829 -6.985 1.00 23.31 H new ATOM 445 N GLY A 557 14.689 -17.470 -3.554 1.00 71.12 N ATOM 446 CA GLY A 557 14.058 -17.249 -2.263 1.00 4.41 C ATOM 447 C GLY A 557 14.590 -18.258 -1.258 1.00 5.22 C ATOM 448 O GLY A 557 13.973 -18.528 -0.258 1.00 64.23 O ATOM 0 H GLY A 557 14.117 -18.011 -4.202 1.00 71.12 H new ATOM 0 HA2 GLY A 557 14.259 -16.235 -1.917 1.00 4.41 H new ATOM 0 HA3 GLY A 557 12.976 -17.346 -2.354 1.00 4.41 H new ATOM 452 N ALA A 558 15.706 -18.895 -1.566 1.00 32.41 N ATOM 453 CA ALA A 558 16.214 -19.993 -0.756 1.00 32.41 C ATOM 454 C ALA A 558 16.863 -19.589 0.577 1.00 60.35 C ATOM 455 O ALA A 558 18.054 -19.777 0.791 1.00 2.24 O ATOM 456 CB ALA A 558 17.159 -20.802 -1.578 1.00 54.35 C ATOM 0 H ALA A 558 16.283 -18.670 -2.377 1.00 32.41 H new ATOM 0 HA ALA A 558 15.343 -20.577 -0.460 1.00 32.41 H new ATOM 0 HB1 ALA A 558 17.546 -21.628 -0.981 1.00 54.35 H new ATOM 0 HB2 ALA A 558 16.637 -21.198 -2.449 1.00 54.35 H new ATOM 0 HB3 ALA A 558 17.986 -20.173 -1.906 1.00 54.35 H new ATOM 462 N ARG A 559 16.057 -19.058 1.477 1.00 21.33 N ATOM 463 CA ARG A 559 16.518 -18.640 2.788 1.00 60.45 C ATOM 464 C ARG A 559 16.274 -19.783 3.764 1.00 23.30 C ATOM 465 O ARG A 559 15.140 -20.197 3.983 1.00 25.10 O ATOM 466 CB ARG A 559 15.759 -17.378 3.221 1.00 24.03 C ATOM 467 CG ARG A 559 15.611 -16.319 2.105 1.00 72.25 C ATOM 468 CD ARG A 559 16.924 -15.760 1.548 1.00 1.13 C ATOM 469 NE ARG A 559 16.738 -15.307 0.153 1.00 13.53 N ATOM 470 CZ ARG A 559 16.148 -14.178 -0.227 1.00 32.44 C ATOM 471 NH1 ARG A 559 15.665 -13.307 0.628 1.00 21.10 N ATOM 472 NH2 ARG A 559 16.028 -13.926 -1.498 1.00 73.44 N ATOM 0 H ARG A 559 15.061 -18.904 1.319 1.00 21.33 H new ATOM 0 HA ARG A 559 17.582 -18.403 2.766 1.00 60.45 H new ATOM 0 HB2 ARG A 559 14.767 -17.665 3.569 1.00 24.03 H new ATOM 0 HB3 ARG A 559 16.276 -16.928 4.068 1.00 24.03 H new ATOM 0 HG2 ARG A 559 15.046 -16.759 1.283 1.00 72.25 H new ATOM 0 HG3 ARG A 559 15.018 -15.490 2.491 1.00 72.25 H new ATOM 0 HD2 ARG A 559 17.264 -14.928 2.165 1.00 1.13 H new ATOM 0 HD3 ARG A 559 17.699 -16.525 1.589 1.00 1.13 H new ATOM 0 HE ARG A 559 17.094 -15.915 -0.584 1.00 13.53 H new ATOM 0 HH11 ARG A 559 15.734 -13.484 1.630 1.00 21.10 H new ATOM 0 HH12 ARG A 559 15.220 -12.453 0.290 1.00 21.10 H new ATOM 0 HH21 ARG A 559 16.384 -14.590 -2.185 1.00 73.44 H new ATOM 0 HH22 ARG A 559 15.578 -13.064 -1.807 1.00 73.44 H new ATOM 486 N GLY A 560 17.349 -20.303 4.321 1.00 10.13 N ATOM 487 CA GLY A 560 17.250 -21.369 5.307 1.00 1.43 C ATOM 488 C GLY A 560 17.053 -22.752 4.718 1.00 74.31 C ATOM 489 O GLY A 560 17.147 -22.950 3.499 1.00 2.45 O ATOM 0 H GLY A 560 18.302 -20.008 4.110 1.00 10.13 H new ATOM 0 HA2 GLY A 560 18.156 -21.372 5.913 1.00 1.43 H new ATOM 0 HA3 GLY A 560 16.418 -21.151 5.977 1.00 1.43 H new ATOM 493 N THR A 561 16.763 -23.702 5.593 1.00 61.45 N ATOM 494 CA THR A 561 16.606 -25.102 5.240 1.00 54.44 C ATOM 495 C THR A 561 15.151 -25.462 5.317 1.00 71.31 C ATOM 496 O THR A 561 14.458 -25.106 6.242 1.00 20.22 O ATOM 497 CB THR A 561 17.376 -26.026 6.209 1.00 22.12 C ATOM 498 OG1 THR A 561 18.765 -25.684 6.184 1.00 12.52 O ATOM 499 CG2 THR A 561 17.224 -27.489 5.861 1.00 71.55 C ATOM 0 H THR A 561 16.628 -23.517 6.587 1.00 61.45 H new ATOM 0 HA THR A 561 17.002 -25.239 4.234 1.00 54.44 H new ATOM 0 HB THR A 561 16.954 -25.878 7.203 1.00 22.12 H new ATOM 0 HG1 THR A 561 18.897 -24.818 6.624 1.00 12.52 H new ATOM 0 HG21 THR A 561 17.785 -28.093 6.574 1.00 71.55 H new ATOM 0 HG22 THR A 561 16.170 -27.765 5.902 1.00 71.55 H new ATOM 0 HG23 THR A 561 17.607 -27.666 4.856 1.00 71.55 H new ATOM 507 N VAL A 562 14.696 -26.167 4.313 1.00 0.42 N ATOM 508 CA VAL A 562 13.333 -26.635 4.199 1.00 74.12 C ATOM 509 C VAL A 562 13.438 -28.099 3.788 1.00 71.30 C ATOM 510 O VAL A 562 14.458 -28.514 3.269 1.00 35.04 O ATOM 511 CB VAL A 562 12.520 -25.716 3.209 1.00 41.43 C ATOM 512 CG1 VAL A 562 13.422 -24.792 2.448 1.00 25.31 C ATOM 513 CG2 VAL A 562 11.622 -26.484 2.259 1.00 21.12 C ATOM 0 H VAL A 562 15.282 -26.442 3.524 1.00 0.42 H new ATOM 0 HA VAL A 562 12.769 -26.574 5.130 1.00 74.12 H new ATOM 0 HB VAL A 562 11.862 -25.123 3.844 1.00 41.43 H new ATOM 0 HG11 VAL A 562 12.827 -24.174 1.776 1.00 25.31 H new ATOM 0 HG12 VAL A 562 13.961 -24.152 3.147 1.00 25.31 H new ATOM 0 HG13 VAL A 562 14.135 -25.377 1.867 1.00 25.31 H new ATOM 0 HG21 VAL A 562 11.096 -25.784 1.610 1.00 21.12 H new ATOM 0 HG22 VAL A 562 12.226 -27.158 1.652 1.00 21.12 H new ATOM 0 HG23 VAL A 562 10.897 -27.063 2.831 1.00 21.12 H new ATOM 523 N ILE A 563 12.419 -28.884 4.083 1.00 14.20 N ATOM 524 CA ILE A 563 12.380 -30.290 3.735 1.00 32.15 C ATOM 525 C ILE A 563 11.194 -30.441 2.775 1.00 21.44 C ATOM 526 O ILE A 563 10.179 -29.748 2.933 1.00 11.35 O ATOM 527 CB ILE A 563 12.248 -31.156 5.023 1.00 73.33 C ATOM 528 CG1 ILE A 563 12.946 -32.496 4.836 1.00 25.54 C ATOM 529 CG2 ILE A 563 10.774 -31.402 5.414 1.00 5.25 C ATOM 530 CD1 ILE A 563 13.413 -33.112 6.138 1.00 75.42 C ATOM 0 H ILE A 563 11.587 -28.559 4.576 1.00 14.20 H new ATOM 0 HA ILE A 563 13.293 -30.637 3.251 1.00 32.15 H new ATOM 0 HB ILE A 563 12.723 -30.597 5.829 1.00 73.33 H new ATOM 0 HG12 ILE A 563 12.265 -33.187 4.338 1.00 25.54 H new ATOM 0 HG13 ILE A 563 13.803 -32.363 4.176 1.00 25.54 H new ATOM 0 HG21 ILE A 563 10.734 -32.010 6.318 1.00 5.25 H new ATOM 0 HG22 ILE A 563 10.282 -30.447 5.597 1.00 5.25 H new ATOM 0 HG23 ILE A 563 10.265 -31.923 4.603 1.00 5.25 H new ATOM 0 HD11 ILE A 563 13.902 -34.065 5.935 1.00 75.42 H new ATOM 0 HD12 ILE A 563 14.118 -32.439 6.627 1.00 75.42 H new ATOM 0 HD13 ILE A 563 12.556 -33.276 6.791 1.00 75.42 H new ATOM 542 N VAL A 564 11.328 -31.266 1.746 1.00 42.03 N ATOM 543 CA VAL A 564 10.257 -31.420 0.749 1.00 72.30 C ATOM 544 C VAL A 564 9.934 -32.883 0.396 1.00 33.23 C ATOM 545 O VAL A 564 10.744 -33.565 -0.227 1.00 54.40 O ATOM 546 CB VAL A 564 10.593 -30.700 -0.591 1.00 14.54 C ATOM 547 CG1 VAL A 564 9.310 -30.579 -1.450 1.00 70.13 C ATOM 548 CG2 VAL A 564 11.178 -29.310 -0.334 1.00 12.31 C ATOM 0 H VAL A 564 12.155 -31.837 1.573 1.00 42.03 H new ATOM 0 HA VAL A 564 9.392 -30.968 1.234 1.00 72.30 H new ATOM 0 HB VAL A 564 11.338 -31.291 -1.124 1.00 14.54 H new ATOM 0 HG11 VAL A 564 9.546 -30.075 -2.387 1.00 70.13 H new ATOM 0 HG12 VAL A 564 8.919 -31.574 -1.661 1.00 70.13 H new ATOM 0 HG13 VAL A 564 8.561 -30.002 -0.907 1.00 70.13 H new ATOM 0 HG21 VAL A 564 11.404 -28.829 -1.286 1.00 12.31 H new ATOM 0 HG22 VAL A 564 10.455 -28.707 0.215 1.00 12.31 H new ATOM 0 HG23 VAL A 564 12.093 -29.403 0.252 1.00 12.31 H new ATOM 558 N PRO A 565 8.741 -33.374 0.769 1.00 62.02 N ATOM 559 CA PRO A 565 8.330 -34.719 0.350 1.00 50.21 C ATOM 560 C PRO A 565 7.926 -34.859 -1.097 1.00 52.33 C ATOM 561 O PRO A 565 7.426 -33.915 -1.706 1.00 35.42 O ATOM 562 CB PRO A 565 7.104 -34.992 1.236 1.00 43.35 C ATOM 563 CG PRO A 565 6.558 -33.668 1.519 1.00 70.24 C ATOM 564 CD PRO A 565 7.705 -32.729 1.594 1.00 61.33 C ATOM 0 HA PRO A 565 9.168 -35.408 0.454 1.00 50.21 H new ATOM 0 HB2 PRO A 565 6.376 -35.621 0.724 1.00 43.35 H new ATOM 0 HB3 PRO A 565 7.384 -35.511 2.153 1.00 43.35 H new ATOM 0 HG2 PRO A 565 5.862 -33.364 0.738 1.00 70.24 H new ATOM 0 HG3 PRO A 565 6.002 -33.673 2.457 1.00 70.24 H new ATOM 0 HD2 PRO A 565 7.442 -31.744 1.208 1.00 61.33 H new ATOM 0 HD3 PRO A 565 8.041 -32.589 2.621 1.00 61.33 H new ATOM 572 N PHE A 566 8.066 -36.073 -1.608 1.00 72.11 N ATOM 573 CA PHE A 566 7.593 -36.441 -2.925 1.00 2.33 C ATOM 574 C PHE A 566 7.020 -37.834 -2.832 1.00 60.13 C ATOM 575 O PHE A 566 7.288 -38.536 -1.858 1.00 14.51 O ATOM 576 CB PHE A 566 8.764 -36.468 -3.881 1.00 52.53 C ATOM 577 CG PHE A 566 9.841 -37.460 -3.495 1.00 61.40 C ATOM 578 CD1 PHE A 566 10.890 -37.077 -2.636 1.00 10.10 C ATOM 579 CD2 PHE A 566 9.822 -38.777 -3.998 1.00 4.45 C ATOM 580 CE1 PHE A 566 11.909 -37.996 -2.279 1.00 25.34 C ATOM 581 CE2 PHE A 566 10.837 -39.701 -3.645 1.00 52.11 C ATOM 582 CZ PHE A 566 11.882 -39.307 -2.791 1.00 60.32 C ATOM 0 H PHE A 566 8.519 -36.838 -1.108 1.00 72.11 H new ATOM 0 HA PHE A 566 6.845 -35.730 -3.277 1.00 2.33 H new ATOM 0 HB2 PHE A 566 8.401 -36.710 -4.880 1.00 52.53 H new ATOM 0 HB3 PHE A 566 9.202 -35.471 -3.933 1.00 52.53 H new ATOM 0 HD1 PHE A 566 10.918 -36.071 -2.245 1.00 10.10 H new ATOM 0 HD2 PHE A 566 9.026 -39.085 -4.659 1.00 4.45 H new ATOM 0 HE1 PHE A 566 12.705 -37.691 -1.615 1.00 25.34 H new ATOM 0 HE2 PHE A 566 10.808 -40.709 -4.032 1.00 52.11 H new ATOM 0 HZ PHE A 566 12.661 -40.007 -2.529 1.00 60.32 H new ATOM 592 N ARG A 567 6.291 -38.245 -3.860 1.00 22.34 N ATOM 593 CA ARG A 567 5.807 -39.622 -3.981 1.00 72.53 C ATOM 594 C ARG A 567 5.519 -39.901 -5.445 1.00 21.31 C ATOM 595 O ARG A 567 5.207 -38.969 -6.190 1.00 60.33 O ATOM 596 CB ARG A 567 4.546 -39.828 -3.130 1.00 43.52 C ATOM 597 CG ARG A 567 3.377 -38.960 -3.554 1.00 63.32 C ATOM 598 CD ARG A 567 2.523 -39.622 -4.616 1.00 63.35 C ATOM 599 NE ARG A 567 2.010 -40.962 -4.273 1.00 14.44 N ATOM 600 CZ ARG A 567 0.745 -41.299 -4.074 1.00 61.02 C ATOM 601 NH1 ARG A 567 -0.231 -40.425 -4.064 1.00 43.21 N ATOM 602 NH2 ARG A 567 0.463 -42.559 -3.900 1.00 4.22 N ATOM 0 H ARG A 567 6.017 -37.639 -4.634 1.00 22.34 H new ATOM 0 HA ARG A 567 6.565 -40.315 -3.616 1.00 72.53 H new ATOM 0 HB2 ARG A 567 4.248 -40.875 -3.185 1.00 43.52 H new ATOM 0 HB3 ARG A 567 4.784 -39.618 -2.087 1.00 43.52 H new ATOM 0 HG2 ARG A 567 2.760 -38.735 -2.684 1.00 63.32 H new ATOM 0 HG3 ARG A 567 3.752 -38.010 -3.933 1.00 63.32 H new ATOM 0 HD2 ARG A 567 1.675 -38.972 -4.833 1.00 63.35 H new ATOM 0 HD3 ARG A 567 3.108 -39.700 -5.532 1.00 63.35 H new ATOM 0 HE ARG A 567 2.701 -41.706 -4.179 1.00 14.44 H new ATOM 0 HH11 ARG A 567 -0.031 -39.436 -4.214 1.00 43.21 H new ATOM 0 HH12 ARG A 567 -1.190 -40.734 -3.906 1.00 43.21 H new ATOM 0 HH21 ARG A 567 1.208 -43.256 -3.919 1.00 4.22 H new ATOM 0 HH22 ARG A 567 -0.503 -42.849 -3.745 1.00 4.22 H new ATOM 616 N THR A 568 5.585 -41.158 -5.851 1.00 12.45 N ATOM 617 CA THR A 568 5.312 -41.542 -7.234 1.00 15.43 C ATOM 618 C THR A 568 3.799 -41.719 -7.373 1.00 21.45 C ATOM 619 O THR A 568 3.151 -42.214 -6.468 1.00 22.11 O ATOM 620 CB THR A 568 6.088 -42.816 -7.559 1.00 74.13 C ATOM 621 OG1 THR A 568 7.453 -42.615 -7.188 1.00 41.03 O ATOM 622 CG2 THR A 568 6.081 -43.142 -9.004 1.00 24.34 C ATOM 0 H THR A 568 5.827 -41.938 -5.240 1.00 12.45 H new ATOM 0 HA THR A 568 5.637 -40.782 -7.945 1.00 15.43 H new ATOM 0 HB THR A 568 5.610 -43.631 -7.016 1.00 74.13 H new ATOM 0 HG1 THR A 568 8.020 -43.251 -7.672 1.00 41.03 H new ATOM 0 HG21 THR A 568 6.648 -44.057 -9.173 1.00 24.34 H new ATOM 0 HG22 THR A 568 5.054 -43.284 -9.340 1.00 24.34 H new ATOM 0 HG23 THR A 568 6.536 -42.325 -9.564 1.00 24.34 H new ATOM 630 N VAL A 569 3.236 -41.203 -8.454 1.00 30.41 N ATOM 631 CA VAL A 569 1.800 -41.097 -8.643 1.00 65.43 C ATOM 632 C VAL A 569 1.555 -41.792 -9.922 1.00 11.24 C ATOM 633 O VAL A 569 1.994 -41.370 -10.974 1.00 54.14 O ATOM 634 CB VAL A 569 1.289 -39.634 -8.849 1.00 62.11 C ATOM 635 CG1 VAL A 569 -0.248 -39.623 -9.004 1.00 31.44 C ATOM 636 CG2 VAL A 569 1.678 -38.721 -7.718 1.00 2.13 C ATOM 0 H VAL A 569 3.776 -40.839 -9.239 1.00 30.41 H new ATOM 0 HA VAL A 569 1.297 -41.495 -7.762 1.00 65.43 H new ATOM 0 HB VAL A 569 1.764 -39.261 -9.757 1.00 62.11 H new ATOM 0 HG11 VAL A 569 -0.592 -38.599 -9.147 1.00 31.44 H new ATOM 0 HG12 VAL A 569 -0.531 -40.225 -9.868 1.00 31.44 H new ATOM 0 HG13 VAL A 569 -0.707 -40.038 -8.107 1.00 31.44 H new ATOM 0 HG21 VAL A 569 1.298 -37.718 -7.913 1.00 2.13 H new ATOM 0 HG22 VAL A 569 1.254 -39.095 -6.786 1.00 2.13 H new ATOM 0 HG23 VAL A 569 2.764 -38.687 -7.635 1.00 2.13 H new ATOM 646 N GLU A 570 0.883 -42.891 -9.817 1.00 3.40 N ATOM 647 CA GLU A 570 0.576 -43.689 -10.963 1.00 24.03 C ATOM 648 C GLU A 570 -0.652 -43.136 -11.685 1.00 14.12 C ATOM 649 O GLU A 570 -1.635 -42.751 -11.057 1.00 11.13 O ATOM 650 CB GLU A 570 0.424 -45.141 -10.529 1.00 13.55 C ATOM 651 CG GLU A 570 0.192 -45.425 -9.002 1.00 2.23 C ATOM 652 CD GLU A 570 -0.984 -44.674 -8.352 1.00 11.24 C ATOM 653 OE1 GLU A 570 -2.139 -45.127 -8.450 1.00 13.32 O ATOM 654 OE2 GLU A 570 -0.703 -43.679 -7.624 1.00 54.25 O ATOM 0 H GLU A 570 0.530 -43.263 -8.935 1.00 3.40 H new ATOM 0 HA GLU A 570 1.389 -43.650 -11.688 1.00 24.03 H new ATOM 0 HB2 GLU A 570 -0.412 -45.570 -11.081 1.00 13.55 H new ATOM 0 HB3 GLU A 570 1.320 -45.679 -10.838 1.00 13.55 H new ATOM 0 HG2 GLU A 570 0.032 -46.495 -8.871 1.00 2.23 H new ATOM 0 HG3 GLU A 570 1.104 -45.171 -8.462 1.00 2.23 H new ATOM 661 N GLY A 571 -0.553 -43.034 -13.005 1.00 1.43 N ATOM 662 CA GLY A 571 -1.662 -42.550 -13.814 1.00 43.23 C ATOM 663 C GLY A 571 -2.361 -43.757 -14.389 1.00 35.43 C ATOM 664 O GLY A 571 -3.362 -44.221 -13.851 1.00 52.11 O ATOM 0 H GLY A 571 0.283 -43.280 -13.536 1.00 1.43 H new ATOM 0 HA2 GLY A 571 -2.350 -41.960 -13.208 1.00 43.23 H new ATOM 0 HA3 GLY A 571 -1.301 -41.900 -14.611 1.00 43.23 H new ATOM 668 N THR A 572 -1.775 -44.334 -15.427 1.00 31.02 N ATOM 669 CA THR A 572 -2.138 -45.686 -15.841 1.00 65.11 C ATOM 670 C THR A 572 -0.879 -46.529 -15.665 1.00 71.21 C ATOM 671 O THR A 572 0.104 -46.341 -16.377 1.00 45.43 O ATOM 672 CB THR A 572 -2.730 -45.759 -17.288 1.00 1.05 C ATOM 673 OG1 THR A 572 -2.730 -47.114 -17.741 1.00 12.43 O ATOM 674 CG2 THR A 572 -1.963 -44.915 -18.290 1.00 1.45 C ATOM 0 H THR A 572 -1.052 -43.894 -15.996 1.00 31.02 H new ATOM 0 HA THR A 572 -2.952 -46.069 -15.226 1.00 65.11 H new ATOM 0 HB THR A 572 -3.743 -45.362 -17.228 1.00 1.05 H new ATOM 0 HG1 THR A 572 -3.103 -47.156 -18.646 1.00 12.43 H new ATOM 0 HG21 THR A 572 -2.424 -45.009 -19.273 1.00 1.45 H new ATOM 0 HG22 THR A 572 -1.984 -43.871 -17.978 1.00 1.45 H new ATOM 0 HG23 THR A 572 -0.930 -45.258 -18.339 1.00 1.45 H new ATOM 682 N ALA A 573 -0.918 -47.422 -14.687 1.00 14.52 N ATOM 683 CA ALA A 573 0.172 -48.338 -14.360 1.00 15.15 C ATOM 684 C ALA A 573 -0.408 -49.192 -13.239 1.00 52.24 C ATOM 685 O ALA A 573 -1.516 -48.924 -12.764 1.00 11.14 O ATOM 686 CB ALA A 573 1.451 -47.587 -13.867 1.00 20.44 C ATOM 0 H ALA A 573 -1.730 -47.535 -14.080 1.00 14.52 H new ATOM 0 HA ALA A 573 0.496 -48.912 -15.228 1.00 15.15 H new ATOM 0 HB1 ALA A 573 2.232 -48.311 -13.637 1.00 20.44 H new ATOM 0 HB2 ALA A 573 1.801 -46.912 -14.648 1.00 20.44 H new ATOM 0 HB3 ALA A 573 1.213 -47.013 -12.972 1.00 20.44 H new ATOM 692 N LYS A 574 0.341 -50.188 -12.810 1.00 14.01 N ATOM 693 CA LYS A 574 -0.062 -51.089 -11.735 1.00 2.43 C ATOM 694 C LYS A 574 0.405 -50.533 -10.393 1.00 3.24 C ATOM 695 O LYS A 574 -0.264 -50.672 -9.368 1.00 44.10 O ATOM 696 CB LYS A 574 0.599 -52.443 -11.966 1.00 41.14 C ATOM 697 CG LYS A 574 0.433 -53.015 -13.379 1.00 42.20 C ATOM 698 CD LYS A 574 -0.822 -53.845 -13.528 1.00 33.05 C ATOM 699 CE LYS A 574 -0.917 -54.391 -14.946 1.00 45.34 C ATOM 700 NZ LYS A 574 0.282 -55.223 -15.305 1.00 43.41 N ATOM 0 H LYS A 574 1.259 -50.402 -13.199 1.00 14.01 H new ATOM 0 HA LYS A 574 -1.147 -51.189 -11.726 1.00 2.43 H new ATOM 0 HB2 LYS A 574 1.664 -52.352 -11.750 1.00 41.14 H new ATOM 0 HB3 LYS A 574 0.189 -53.157 -11.251 1.00 41.14 H new ATOM 0 HG2 LYS A 574 0.410 -52.196 -14.098 1.00 42.20 H new ATOM 0 HG3 LYS A 574 1.301 -53.628 -13.623 1.00 42.20 H new ATOM 0 HD2 LYS A 574 -0.812 -54.667 -12.812 1.00 33.05 H new ATOM 0 HD3 LYS A 574 -1.699 -53.238 -13.303 1.00 33.05 H new ATOM 0 HE2 LYS A 574 -1.820 -54.994 -15.044 1.00 45.34 H new ATOM 0 HE3 LYS A 574 -1.009 -53.563 -15.649 1.00 45.34 H new ATOM 0 HZ1 LYS A 574 -0.012 -56.007 -15.923 1.00 43.41 H new ATOM 0 HZ2 LYS A 574 0.978 -54.632 -15.803 1.00 43.41 H new ATOM 0 HZ3 LYS A 574 0.710 -55.607 -14.438 1.00 43.41 H new ATOM 714 N GLY A 575 1.566 -49.896 -10.421 1.00 32.42 N ATOM 715 CA GLY A 575 2.172 -49.320 -9.236 1.00 42.42 C ATOM 716 C GLY A 575 2.719 -50.344 -8.267 1.00 23.30 C ATOM 717 O GLY A 575 2.883 -51.522 -8.586 1.00 1.14 O ATOM 0 H GLY A 575 2.114 -49.765 -11.271 1.00 32.42 H new ATOM 0 HA2 GLY A 575 2.980 -48.654 -9.540 1.00 42.42 H new ATOM 0 HA3 GLY A 575 1.431 -48.708 -8.722 1.00 42.42 H new ATOM 721 N GLY A 576 3.019 -49.886 -7.062 1.00 34.44 N ATOM 722 CA GLY A 576 3.541 -50.771 -6.040 1.00 33.31 C ATOM 723 C GLY A 576 4.975 -51.131 -6.346 1.00 22.31 C ATOM 724 O GLY A 576 5.861 -50.317 -6.140 1.00 33.25 O ATOM 0 H GLY A 576 2.910 -48.914 -6.772 1.00 34.44 H new ATOM 0 HA2 GLY A 576 3.480 -50.288 -5.065 1.00 33.31 H new ATOM 0 HA3 GLY A 576 2.935 -51.675 -5.987 1.00 33.31 H new ATOM 728 N GLY A 577 5.185 -52.371 -6.766 1.00 24.41 N ATOM 729 CA GLY A 577 6.488 -52.849 -7.218 1.00 65.31 C ATOM 730 C GLY A 577 6.455 -53.417 -8.624 1.00 54.53 C ATOM 731 O GLY A 577 7.295 -54.245 -8.931 1.00 40.10 O ATOM 0 H GLY A 577 4.452 -53.080 -6.804 1.00 24.41 H new ATOM 0 HA2 GLY A 577 7.203 -52.027 -7.181 1.00 65.31 H new ATOM 0 HA3 GLY A 577 6.846 -53.615 -6.531 1.00 65.31 H new ATOM 735 N GLU A 578 5.413 -53.137 -9.399 1.00 20.24 N ATOM 736 CA GLU A 578 5.181 -53.873 -10.651 1.00 0.14 C ATOM 737 C GLU A 578 5.740 -53.208 -11.928 1.00 14.34 C ATOM 738 O GLU A 578 6.437 -53.853 -12.688 1.00 70.53 O ATOM 739 CB GLU A 578 3.688 -54.178 -10.750 1.00 32.11 C ATOM 740 CG GLU A 578 3.287 -55.043 -11.940 1.00 32.14 C ATOM 741 CD GLU A 578 1.902 -55.697 -11.785 1.00 35.40 C ATOM 742 OE1 GLU A 578 1.295 -55.623 -10.694 1.00 44.01 O ATOM 743 OE2 GLU A 578 1.410 -56.277 -12.790 1.00 51.33 O ATOM 0 H GLU A 578 4.720 -52.417 -9.193 1.00 20.24 H new ATOM 0 HA GLU A 578 5.759 -54.796 -10.600 1.00 0.14 H new ATOM 0 HB2 GLU A 578 3.372 -54.677 -9.834 1.00 32.11 H new ATOM 0 HB3 GLU A 578 3.142 -53.236 -10.804 1.00 32.11 H new ATOM 0 HG2 GLU A 578 3.292 -54.431 -12.842 1.00 32.14 H new ATOM 0 HG3 GLU A 578 4.035 -55.823 -12.080 1.00 32.14 H new ATOM 750 N ASP A 579 5.474 -51.922 -12.139 1.00 54.32 N ATOM 751 CA ASP A 579 6.082 -51.182 -13.273 1.00 15.52 C ATOM 752 C ASP A 579 7.196 -50.314 -12.726 1.00 14.40 C ATOM 753 O ASP A 579 8.203 -50.047 -13.379 1.00 45.40 O ATOM 754 CB ASP A 579 5.069 -50.256 -13.950 1.00 72.01 C ATOM 755 CG ASP A 579 3.778 -50.231 -13.247 1.00 0.32 C ATOM 756 OD1 ASP A 579 3.698 -49.653 -12.145 1.00 73.20 O ATOM 757 OD2 ASP A 579 2.806 -50.766 -13.791 1.00 34.43 O ATOM 0 H ASP A 579 4.851 -51.364 -11.555 1.00 54.32 H new ATOM 0 HA ASP A 579 6.441 -51.908 -14.002 1.00 15.52 H new ATOM 0 HB2 ASP A 579 5.476 -49.246 -13.993 1.00 72.01 H new ATOM 0 HB3 ASP A 579 4.914 -50.581 -14.979 1.00 72.01 H new ATOM 762 N PHE A 580 7.008 -49.862 -11.501 1.00 54.01 N ATOM 763 CA PHE A 580 8.000 -49.061 -10.826 1.00 15.44 C ATOM 764 C PHE A 580 7.821 -49.333 -9.351 1.00 72.31 C ATOM 765 O PHE A 580 6.754 -49.778 -8.932 1.00 71.33 O ATOM 766 CB PHE A 580 7.782 -47.569 -11.126 1.00 70.11 C ATOM 767 CG PHE A 580 6.436 -47.058 -10.687 1.00 71.14 C ATOM 768 CD1 PHE A 580 6.227 -46.667 -9.356 1.00 2.33 C ATOM 769 CD2 PHE A 580 5.364 -46.985 -11.591 1.00 25.34 C ATOM 770 CE1 PHE A 580 4.966 -46.223 -8.918 1.00 4.11 C ATOM 771 CE2 PHE A 580 4.098 -46.522 -11.164 1.00 23.40 C ATOM 772 CZ PHE A 580 3.908 -46.144 -9.818 1.00 60.40 C ATOM 0 H PHE A 580 6.167 -50.041 -10.952 1.00 54.01 H new ATOM 0 HA PHE A 580 9.007 -49.311 -11.159 1.00 15.44 H new ATOM 0 HB2 PHE A 580 8.561 -46.989 -10.630 1.00 70.11 H new ATOM 0 HB3 PHE A 580 7.893 -47.402 -12.197 1.00 70.11 H new ATOM 0 HD1 PHE A 580 7.048 -46.708 -8.656 1.00 2.33 H new ATOM 0 HD2 PHE A 580 5.507 -47.284 -12.619 1.00 25.34 H new ATOM 0 HE1 PHE A 580 4.820 -45.944 -7.885 1.00 4.11 H new ATOM 0 HE2 PHE A 580 3.279 -46.458 -11.866 1.00 23.40 H new ATOM 0 HZ PHE A 580 2.942 -45.794 -9.487 1.00 60.40 H new ATOM 782 N GLU A 581 8.834 -49.023 -8.562 1.00 54.03 N ATOM 783 CA GLU A 581 8.679 -49.049 -7.106 1.00 54.51 C ATOM 784 C GLU A 581 8.191 -47.677 -6.683 1.00 32.25 C ATOM 785 O GLU A 581 8.836 -46.678 -7.008 1.00 63.22 O ATOM 786 CB GLU A 581 9.992 -49.345 -6.383 1.00 1.03 C ATOM 787 CG GLU A 581 10.416 -50.810 -6.418 1.00 1.41 C ATOM 788 CD GLU A 581 11.631 -51.080 -5.524 1.00 25.14 C ATOM 789 OE1 GLU A 581 12.117 -50.142 -4.846 1.00 41.51 O ATOM 790 OE2 GLU A 581 12.167 -52.211 -5.547 1.00 50.32 O ATOM 0 H GLU A 581 9.761 -48.754 -8.891 1.00 54.03 H new ATOM 0 HA GLU A 581 7.979 -49.842 -6.843 1.00 54.51 H new ATOM 0 HB2 GLU A 581 10.782 -48.740 -6.828 1.00 1.03 H new ATOM 0 HB3 GLU A 581 9.899 -49.031 -5.343 1.00 1.03 H new ATOM 0 HG2 GLU A 581 9.583 -51.436 -6.096 1.00 1.41 H new ATOM 0 HG3 GLU A 581 10.651 -51.095 -7.444 1.00 1.41 H new ATOM 797 N ASP A 582 7.065 -47.608 -5.973 1.00 61.25 N ATOM 798 CA ASP A 582 6.549 -46.317 -5.494 1.00 74.10 C ATOM 799 C ASP A 582 7.552 -45.697 -4.584 1.00 22.30 C ATOM 800 O ASP A 582 7.870 -46.176 -3.491 1.00 42.15 O ATOM 801 CB ASP A 582 5.220 -46.422 -4.777 1.00 4.31 C ATOM 802 CG ASP A 582 4.653 -45.045 -4.345 1.00 73.32 C ATOM 803 OD1 ASP A 582 5.236 -43.986 -4.689 1.00 0.33 O ATOM 804 OD2 ASP A 582 3.618 -45.032 -3.641 1.00 54.30 O ATOM 0 H ASP A 582 6.497 -48.416 -5.717 1.00 61.25 H new ATOM 0 HA ASP A 582 6.379 -45.700 -6.376 1.00 74.10 H new ATOM 0 HB2 ASP A 582 4.500 -46.917 -5.429 1.00 4.31 H new ATOM 0 HB3 ASP A 582 5.338 -47.053 -3.896 1.00 4.31 H new ATOM 809 N ALA A 583 8.101 -44.640 -5.119 1.00 34.31 N ATOM 810 CA ALA A 583 9.202 -43.967 -4.528 1.00 0.12 C ATOM 811 C ALA A 583 8.746 -42.691 -3.859 1.00 0.23 C ATOM 812 O ALA A 583 8.365 -41.719 -4.521 1.00 0.21 O ATOM 813 CB ALA A 583 10.184 -43.704 -5.571 1.00 63.12 C ATOM 0 H ALA A 583 7.782 -44.223 -5.994 1.00 34.31 H new ATOM 0 HA ALA A 583 9.655 -44.586 -3.753 1.00 0.12 H new ATOM 0 HB1 ALA A 583 11.042 -43.186 -5.141 1.00 63.12 H new ATOM 0 HB2 ALA A 583 10.511 -44.647 -6.009 1.00 63.12 H new ATOM 0 HB3 ALA A 583 9.735 -43.081 -6.345 1.00 63.12 H new ATOM 819 N TYR A 584 8.793 -42.696 -2.539 1.00 50.12 N ATOM 820 CA TYR A 584 8.409 -41.545 -1.749 1.00 23.40 C ATOM 821 C TYR A 584 9.412 -41.333 -0.637 1.00 71.11 C ATOM 822 O TYR A 584 9.968 -42.282 -0.090 1.00 13.11 O ATOM 823 CB TYR A 584 7.001 -41.743 -1.182 1.00 23.34 C ATOM 824 CG TYR A 584 6.749 -43.123 -0.613 1.00 11.13 C ATOM 825 CD1 TYR A 584 7.081 -43.450 0.719 1.00 62.33 C ATOM 826 CD2 TYR A 584 6.167 -44.118 -1.419 1.00 63.31 C ATOM 827 CE1 TYR A 584 6.841 -44.763 1.223 1.00 64.44 C ATOM 828 CE2 TYR A 584 5.927 -45.418 -0.930 1.00 71.42 C ATOM 829 CZ TYR A 584 6.272 -45.734 0.386 1.00 33.22 C ATOM 830 OH TYR A 584 6.049 -47.001 0.859 1.00 3.23 O ATOM 0 H TYR A 584 9.098 -43.498 -1.987 1.00 50.12 H new ATOM 0 HA TYR A 584 8.399 -40.658 -2.382 1.00 23.40 H new ATOM 0 HB2 TYR A 584 6.829 -41.003 -0.400 1.00 23.34 H new ATOM 0 HB3 TYR A 584 6.274 -41.549 -1.970 1.00 23.34 H new ATOM 0 HD1 TYR A 584 7.520 -42.701 1.361 1.00 62.33 H new ATOM 0 HD2 TYR A 584 5.897 -43.880 -2.437 1.00 63.31 H new ATOM 0 HE1 TYR A 584 7.096 -45.008 2.243 1.00 64.44 H new ATOM 0 HE2 TYR A 584 5.479 -46.165 -1.569 1.00 71.42 H new ATOM 0 HH TYR A 584 5.649 -47.549 0.152 1.00 3.23 H new ATOM 840 N GLY A 585 9.663 -40.077 -0.315 1.00 31.31 N ATOM 841 CA GLY A 585 10.602 -39.754 0.740 1.00 21.40 C ATOM 842 C GLY A 585 10.628 -38.262 0.903 1.00 22.32 C ATOM 843 O GLY A 585 9.809 -37.580 0.296 1.00 42.44 O ATOM 0 H GLY A 585 9.232 -39.270 -0.766 1.00 31.31 H new ATOM 0 HA2 GLY A 585 10.305 -40.233 1.673 1.00 21.40 H new ATOM 0 HA3 GLY A 585 11.596 -40.127 0.492 1.00 21.40 H new ATOM 847 N GLU A 586 11.561 -37.748 1.690 1.00 44.13 N ATOM 848 CA GLU A 586 11.711 -36.307 1.867 1.00 11.14 C ATOM 849 C GLU A 586 13.097 -35.871 1.454 1.00 24.23 C ATOM 850 O GLU A 586 14.064 -36.620 1.571 1.00 41.12 O ATOM 851 CB GLU A 586 11.467 -35.889 3.316 1.00 74.33 C ATOM 852 CG GLU A 586 9.998 -35.832 3.672 1.00 73.11 C ATOM 853 CD GLU A 586 9.702 -34.985 4.897 1.00 41.23 C ATOM 854 OE1 GLU A 586 10.412 -35.082 5.914 1.00 51.11 O ATOM 855 OE2 GLU A 586 8.733 -34.191 4.825 1.00 1.01 O ATOM 0 H GLU A 586 12.229 -38.308 2.219 1.00 44.13 H new ATOM 0 HA GLU A 586 10.965 -35.823 1.236 1.00 11.14 H new ATOM 0 HB2 GLU A 586 11.970 -36.591 3.981 1.00 74.33 H new ATOM 0 HB3 GLU A 586 11.916 -34.910 3.487 1.00 74.33 H new ATOM 0 HG2 GLU A 586 9.442 -35.435 2.823 1.00 73.11 H new ATOM 0 HG3 GLU A 586 9.635 -36.845 3.845 1.00 73.11 H new ATOM 862 N LEU A 587 13.175 -34.648 0.958 1.00 51.13 N ATOM 863 CA LEU A 587 14.414 -34.079 0.458 1.00 51.44 C ATOM 864 C LEU A 587 14.794 -32.877 1.286 1.00 12.14 C ATOM 865 O LEU A 587 14.041 -31.912 1.357 1.00 75.52 O ATOM 866 CB LEU A 587 14.209 -33.615 -0.984 1.00 4.24 C ATOM 867 CG LEU A 587 13.724 -34.686 -1.961 1.00 34.12 C ATOM 868 CD1 LEU A 587 13.093 -34.019 -3.146 1.00 53.43 C ATOM 869 CD2 LEU A 587 14.843 -35.604 -2.417 1.00 63.02 C ATOM 0 H LEU A 587 12.375 -34.018 0.891 1.00 51.13 H new ATOM 0 HA LEU A 587 15.198 -34.834 0.511 1.00 51.44 H new ATOM 0 HB2 LEU A 587 13.490 -32.796 -0.984 1.00 4.24 H new ATOM 0 HB3 LEU A 587 15.151 -33.211 -1.354 1.00 4.24 H new ATOM 0 HG LEU A 587 12.995 -35.308 -1.441 1.00 34.12 H new ATOM 0 HD11 LEU A 587 12.745 -34.777 -3.847 1.00 53.43 H new ATOM 0 HD12 LEU A 587 12.248 -33.414 -2.816 1.00 53.43 H new ATOM 0 HD13 LEU A 587 13.827 -33.380 -3.637 1.00 53.43 H new ATOM 0 HD21 LEU A 587 14.445 -36.346 -3.109 1.00 63.02 H new ATOM 0 HD22 LEU A 587 15.614 -35.018 -2.917 1.00 63.02 H new ATOM 0 HD23 LEU A 587 15.275 -36.109 -1.553 1.00 63.02 H new ATOM 881 N GLU A 588 15.961 -32.910 1.897 1.00 54.04 N ATOM 882 CA GLU A 588 16.455 -31.755 2.609 1.00 55.42 C ATOM 883 C GLU A 588 16.940 -30.761 1.561 1.00 21.13 C ATOM 884 O GLU A 588 17.580 -31.120 0.573 1.00 14.04 O ATOM 885 CB GLU A 588 17.573 -32.140 3.589 1.00 31.32 C ATOM 886 CG GLU A 588 18.812 -32.765 2.946 1.00 44.14 C ATOM 887 CD GLU A 588 19.825 -33.221 3.978 1.00 44.21 C ATOM 888 OE1 GLU A 588 20.153 -32.426 4.889 1.00 73.41 O ATOM 889 OE2 GLU A 588 20.346 -34.341 3.843 1.00 24.31 O ATOM 0 H GLU A 588 16.580 -33.720 1.914 1.00 54.04 H new ATOM 0 HA GLU A 588 15.667 -31.309 3.216 1.00 55.42 H new ATOM 0 HB2 GLU A 588 17.878 -31.248 4.137 1.00 31.32 H new ATOM 0 HB3 GLU A 588 17.169 -32.841 4.320 1.00 31.32 H new ATOM 0 HG2 GLU A 588 18.512 -33.615 2.334 1.00 44.14 H new ATOM 0 HG3 GLU A 588 19.277 -32.040 2.278 1.00 44.14 H new ATOM 896 N PHE A 589 16.581 -29.515 1.779 1.00 43.43 N ATOM 897 CA PHE A 589 16.973 -28.409 0.913 1.00 72.31 C ATOM 898 C PHE A 589 17.525 -27.272 1.755 1.00 72.12 C ATOM 899 O PHE A 589 16.785 -26.629 2.481 1.00 33.30 O ATOM 900 CB PHE A 589 15.727 -27.886 0.208 1.00 50.43 C ATOM 901 CG PHE A 589 15.597 -28.326 -1.206 1.00 25.43 C ATOM 902 CD1 PHE A 589 16.218 -27.600 -2.240 1.00 72.31 C ATOM 903 CD2 PHE A 589 14.806 -29.441 -1.528 1.00 63.14 C ATOM 904 CE1 PHE A 589 16.027 -27.965 -3.591 1.00 74.44 C ATOM 905 CE2 PHE A 589 14.608 -29.814 -2.878 1.00 31.02 C ATOM 906 CZ PHE A 589 15.216 -29.059 -3.910 1.00 50.43 C ATOM 0 H PHE A 589 16.002 -29.231 2.570 1.00 43.43 H new ATOM 0 HA PHE A 589 17.723 -28.755 0.202 1.00 72.31 H new ATOM 0 HB2 PHE A 589 14.846 -28.213 0.761 1.00 50.43 H new ATOM 0 HB3 PHE A 589 15.736 -26.796 0.238 1.00 50.43 H new ATOM 0 HD1 PHE A 589 16.847 -26.756 -1.998 1.00 72.31 H new ATOM 0 HD2 PHE A 589 14.346 -30.018 -0.739 1.00 63.14 H new ATOM 0 HE1 PHE A 589 16.507 -27.400 -4.377 1.00 74.44 H new ATOM 0 HE2 PHE A 589 13.996 -30.670 -3.120 1.00 31.02 H new ATOM 0 HZ PHE A 589 15.054 -29.328 -4.943 1.00 50.43 H new ATOM 916 N LYS A 590 18.791 -26.946 1.563 1.00 10.35 N ATOM 917 CA LYS A 590 19.440 -25.822 2.240 1.00 24.45 C ATOM 918 C LYS A 590 19.627 -24.685 1.244 1.00 23.13 C ATOM 919 O LYS A 590 19.218 -24.781 0.091 1.00 71.11 O ATOM 920 CB LYS A 590 20.809 -26.263 2.782 1.00 42.32 C ATOM 921 CG LYS A 590 20.750 -27.463 3.723 1.00 43.44 C ATOM 922 CD LYS A 590 22.154 -27.967 4.043 1.00 71.25 C ATOM 923 CE LYS A 590 22.105 -29.333 4.724 1.00 54.13 C ATOM 924 NZ LYS A 590 21.669 -30.397 3.760 1.00 32.40 N ATOM 0 H LYS A 590 19.408 -27.454 0.929 1.00 10.35 H new ATOM 0 HA LYS A 590 18.820 -25.487 3.071 1.00 24.45 H new ATOM 0 HB2 LYS A 590 21.459 -26.506 1.942 1.00 42.32 H new ATOM 0 HB3 LYS A 590 21.267 -25.425 3.308 1.00 42.32 H new ATOM 0 HG2 LYS A 590 20.240 -27.184 4.645 1.00 43.44 H new ATOM 0 HG3 LYS A 590 20.167 -28.262 3.265 1.00 43.44 H new ATOM 0 HD2 LYS A 590 22.737 -28.036 3.125 1.00 71.25 H new ATOM 0 HD3 LYS A 590 22.662 -27.252 4.691 1.00 71.25 H new ATOM 0 HE2 LYS A 590 23.089 -29.580 5.124 1.00 54.13 H new ATOM 0 HE3 LYS A 590 21.417 -29.298 5.569 1.00 54.13 H new ATOM 0 HZ1 LYS A 590 21.480 -31.279 4.278 1.00 32.40 H new ATOM 0 HZ2 LYS A 590 20.804 -30.090 3.272 1.00 32.40 H new ATOM 0 HZ3 LYS A 590 22.421 -30.561 3.061 1.00 32.40 H new ATOM 938 N ASN A 591 20.258 -23.622 1.707 1.00 15.22 N ATOM 939 CA ASN A 591 20.560 -22.436 0.914 1.00 4.03 C ATOM 940 C ASN A 591 21.219 -22.676 -0.452 1.00 22.33 C ATOM 941 O ASN A 591 20.759 -22.158 -1.456 1.00 3.11 O ATOM 942 CB ASN A 591 21.532 -21.603 1.744 1.00 44.35 C ATOM 943 CG ASN A 591 21.893 -20.304 1.086 1.00 75.10 C ATOM 944 OD1 ASN A 591 23.041 -19.914 1.057 1.00 34.32 O ATOM 945 ND2 ASN A 591 20.918 -19.616 0.582 1.00 74.14 N ATOM 0 H ASN A 591 20.585 -23.554 2.671 1.00 15.22 H new ATOM 0 HA ASN A 591 19.603 -21.964 0.693 1.00 4.03 H new ATOM 0 HB2 ASN A 591 21.089 -21.400 2.719 1.00 44.35 H new ATOM 0 HB3 ASN A 591 22.440 -22.180 1.920 1.00 44.35 H new ATOM 0 HD21 ASN A 591 21.104 -18.715 0.142 1.00 74.14 H new ATOM 0 HD22 ASN A 591 19.965 -19.976 0.625 1.00 74.14 H new ATOM 952 N ASP A 592 22.330 -23.394 -0.450 1.00 30.14 N ATOM 953 CA ASP A 592 23.136 -23.675 -1.650 1.00 12.22 C ATOM 954 C ASP A 592 22.557 -24.848 -2.437 1.00 23.21 C ATOM 955 O ASP A 592 22.706 -24.965 -3.646 1.00 12.11 O ATOM 956 CB ASP A 592 24.564 -24.037 -1.207 1.00 12.11 C ATOM 957 CG ASP A 592 24.602 -25.249 -0.261 1.00 64.20 C ATOM 958 OD1 ASP A 592 23.865 -25.249 0.768 1.00 42.45 O ATOM 959 OD2 ASP A 592 25.368 -26.190 -0.534 1.00 54.54 O ATOM 0 H ASP A 592 22.714 -23.811 0.398 1.00 30.14 H new ATOM 0 HA ASP A 592 23.134 -22.791 -2.288 1.00 12.22 H new ATOM 0 HB2 ASP A 592 25.170 -24.249 -2.087 1.00 12.11 H new ATOM 0 HB3 ASP A 592 25.014 -23.178 -0.709 1.00 12.11 H new ATOM 964 N GLU A 593 21.881 -25.698 -1.694 1.00 30.51 N ATOM 965 CA GLU A 593 21.245 -26.940 -2.166 1.00 42.55 C ATOM 966 C GLU A 593 20.075 -26.820 -3.143 1.00 32.41 C ATOM 967 O GLU A 593 19.231 -27.707 -3.187 1.00 25.13 O ATOM 968 CB GLU A 593 20.873 -27.843 -1.005 1.00 14.21 C ATOM 969 CG GLU A 593 22.057 -28.405 -0.258 1.00 40.34 C ATOM 970 CD GLU A 593 21.620 -29.490 0.698 1.00 41.32 C ATOM 971 OE1 GLU A 593 20.437 -29.476 1.101 1.00 4.14 O ATOM 972 OE2 GLU A 593 22.408 -30.403 0.998 1.00 75.24 O ATOM 0 H GLU A 593 21.745 -25.547 -0.694 1.00 30.51 H new ATOM 0 HA GLU A 593 22.033 -27.384 -2.774 1.00 42.55 H new ATOM 0 HB2 GLU A 593 20.250 -27.283 -0.308 1.00 14.21 H new ATOM 0 HB3 GLU A 593 20.268 -28.669 -1.380 1.00 14.21 H new ATOM 0 HG2 GLU A 593 22.782 -28.807 -0.966 1.00 40.34 H new ATOM 0 HG3 GLU A 593 22.557 -27.608 0.293 1.00 40.34 H new ATOM 979 N THR A 594 19.900 -25.677 -3.787 1.00 50.32 N ATOM 980 CA THR A 594 18.681 -25.396 -4.550 1.00 5.25 C ATOM 981 C THR A 594 18.578 -26.209 -5.839 1.00 12.10 C ATOM 982 O THR A 594 17.686 -25.980 -6.655 1.00 44.45 O ATOM 983 CB THR A 594 18.678 -23.930 -5.019 1.00 30.44 C ATOM 984 OG1 THR A 594 19.827 -23.696 -5.834 1.00 32.30 O ATOM 985 CG2 THR A 594 18.745 -22.987 -3.861 1.00 14.32 C ATOM 0 H THR A 594 20.586 -24.922 -3.800 1.00 50.32 H new ATOM 0 HA THR A 594 17.861 -25.642 -3.875 1.00 5.25 H new ATOM 0 HB THR A 594 17.754 -23.759 -5.571 1.00 30.44 H new ATOM 0 HG1 THR A 594 19.829 -22.764 -6.137 1.00 32.30 H new ATOM 0 HG21 THR A 594 18.741 -21.960 -4.227 1.00 14.32 H new ATOM 0 HG22 THR A 594 17.883 -23.144 -3.213 1.00 14.32 H new ATOM 0 HG23 THR A 594 19.660 -23.168 -3.297 1.00 14.32 H new ATOM 993 N VAL A 595 19.418 -27.227 -5.946 1.00 41.33 N ATOM 994 CA VAL A 595 19.308 -28.255 -6.967 1.00 53.14 C ATOM 995 C VAL A 595 19.345 -29.580 -6.210 1.00 54.43 C ATOM 996 O VAL A 595 20.285 -29.845 -5.455 1.00 72.22 O ATOM 997 CB VAL A 595 20.490 -28.214 -7.982 1.00 72.10 C ATOM 998 CG1 VAL A 595 19.992 -28.577 -9.385 1.00 23.32 C ATOM 999 CG2 VAL A 595 21.167 -26.823 -7.994 1.00 70.32 C ATOM 0 H VAL A 595 20.208 -27.363 -5.315 1.00 41.33 H new ATOM 0 HA VAL A 595 18.397 -28.113 -7.548 1.00 53.14 H new ATOM 0 HB VAL A 595 21.234 -28.947 -7.669 1.00 72.10 H new ATOM 0 HG11 VAL A 595 20.826 -28.545 -10.086 1.00 23.32 H new ATOM 0 HG12 VAL A 595 19.567 -29.581 -9.372 1.00 23.32 H new ATOM 0 HG13 VAL A 595 19.229 -27.864 -9.696 1.00 23.32 H new ATOM 0 HG21 VAL A 595 21.988 -26.824 -8.711 1.00 70.32 H new ATOM 0 HG22 VAL A 595 20.437 -26.065 -8.279 1.00 70.32 H new ATOM 0 HG23 VAL A 595 21.554 -26.598 -7.000 1.00 70.32 H new ATOM 1009 N LYS A 596 18.311 -30.391 -6.368 1.00 54.34 N ATOM 1010 CA LYS A 596 18.218 -31.678 -5.678 1.00 22.22 C ATOM 1011 C LYS A 596 17.561 -32.640 -6.634 1.00 42.12 C ATOM 1012 O LYS A 596 17.078 -32.210 -7.671 1.00 43.05 O ATOM 1013 CB LYS A 596 17.377 -31.520 -4.405 1.00 24.32 C ATOM 1014 CG LYS A 596 17.523 -32.633 -3.356 1.00 24.21 C ATOM 1015 CD LYS A 596 18.948 -32.784 -2.817 1.00 72.15 C ATOM 1016 CE LYS A 596 19.389 -31.535 -2.052 1.00 74.21 C ATOM 1017 NZ LYS A 596 20.086 -31.852 -0.753 1.00 24.24 N ATOM 0 H LYS A 596 17.516 -30.183 -6.972 1.00 54.34 H new ATOM 0 HA LYS A 596 19.201 -32.045 -5.383 1.00 22.22 H new ATOM 0 HB2 LYS A 596 17.638 -30.571 -3.937 1.00 24.32 H new ATOM 0 HB3 LYS A 596 16.328 -31.455 -4.693 1.00 24.32 H new ATOM 0 HG2 LYS A 596 16.849 -32.428 -2.524 1.00 24.21 H new ATOM 0 HG3 LYS A 596 17.208 -33.579 -3.796 1.00 24.21 H new ATOM 0 HD2 LYS A 596 19.000 -33.652 -2.160 1.00 72.15 H new ATOM 0 HD3 LYS A 596 19.634 -32.968 -3.644 1.00 72.15 H new ATOM 0 HE2 LYS A 596 20.057 -30.948 -2.682 1.00 74.21 H new ATOM 0 HE3 LYS A 596 18.516 -30.915 -1.847 1.00 74.21 H new ATOM 0 HZ1 LYS A 596 19.718 -31.234 -0.002 1.00 24.24 H new ATOM 0 HZ2 LYS A 596 19.913 -32.846 -0.500 1.00 24.24 H new ATOM 0 HZ3 LYS A 596 21.108 -31.695 -0.860 1.00 24.24 H new ATOM 1031 N THR A 597 17.534 -33.921 -6.318 1.00 22.11 N ATOM 1032 CA THR A 597 16.959 -34.892 -7.209 1.00 41.24 C ATOM 1033 C THR A 597 16.126 -35.947 -6.489 1.00 12.03 C ATOM 1034 O THR A 597 16.380 -36.271 -5.332 1.00 41.22 O ATOM 1035 CB THR A 597 18.094 -35.598 -7.922 1.00 2.10 C ATOM 1036 OG1 THR A 597 19.335 -35.247 -7.303 1.00 11.13 O ATOM 1037 CG2 THR A 597 18.178 -35.207 -9.398 1.00 1.32 C ATOM 0 H THR A 597 17.905 -34.306 -5.450 1.00 22.11 H new ATOM 0 HA THR A 597 16.296 -34.361 -7.892 1.00 41.24 H new ATOM 0 HB THR A 597 17.902 -36.669 -7.854 1.00 2.10 H new ATOM 0 HG1 THR A 597 20.070 -35.704 -7.762 1.00 11.13 H new ATOM 0 HG21 THR A 597 19.006 -35.737 -9.868 1.00 1.32 H new ATOM 0 HG22 THR A 597 17.246 -35.472 -9.898 1.00 1.32 H new ATOM 0 HG23 THR A 597 18.342 -34.133 -9.481 1.00 1.32 H new ATOM 1045 N ILE A 598 15.152 -36.492 -7.205 1.00 20.14 N ATOM 1046 CA ILE A 598 14.293 -37.581 -6.728 1.00 75.11 C ATOM 1047 C ILE A 598 14.624 -38.768 -7.588 1.00 21.42 C ATOM 1048 O ILE A 598 14.716 -38.626 -8.786 1.00 43.30 O ATOM 1049 CB ILE A 598 12.785 -37.244 -6.917 1.00 21.41 C ATOM 1050 CG1 ILE A 598 12.400 -36.187 -5.888 1.00 63.35 C ATOM 1051 CG2 ILE A 598 11.890 -38.531 -6.788 1.00 64.34 C ATOM 1052 CD1 ILE A 598 11.054 -35.517 -6.093 1.00 54.21 C ATOM 0 H ILE A 598 14.928 -36.188 -8.152 1.00 20.14 H new ATOM 0 HA ILE A 598 14.463 -37.757 -5.666 1.00 75.11 H new ATOM 0 HB ILE A 598 12.617 -36.854 -7.921 1.00 21.41 H new ATOM 0 HG12 ILE A 598 12.406 -36.650 -4.901 1.00 63.35 H new ATOM 0 HG13 ILE A 598 13.170 -35.416 -5.883 1.00 63.35 H new ATOM 0 HG21 ILE A 598 10.843 -38.261 -6.925 1.00 64.34 H new ATOM 0 HG22 ILE A 598 12.181 -39.254 -7.550 1.00 64.34 H new ATOM 0 HG23 ILE A 598 12.025 -38.971 -5.800 1.00 64.34 H new ATOM 0 HD11 ILE A 598 10.888 -34.785 -5.303 1.00 54.21 H new ATOM 0 HD12 ILE A 598 11.041 -35.015 -7.061 1.00 54.21 H new ATOM 0 HD13 ILE A 598 10.265 -36.269 -6.063 1.00 54.21 H new ATOM 1064 N ARG A 599 14.790 -39.929 -6.973 1.00 12.14 N ATOM 1065 CA ARG A 599 15.092 -41.171 -7.697 1.00 24.04 C ATOM 1066 C ARG A 599 13.951 -42.172 -7.543 1.00 50.55 C ATOM 1067 O ARG A 599 13.442 -42.352 -6.441 1.00 1.40 O ATOM 1068 CB ARG A 599 16.375 -41.800 -7.151 1.00 22.02 C ATOM 1069 CG ARG A 599 17.629 -41.256 -7.800 1.00 22.54 C ATOM 1070 CD ARG A 599 18.870 -42.018 -7.358 1.00 51.50 C ATOM 1071 NE ARG A 599 20.000 -41.737 -8.262 1.00 31.23 N ATOM 1072 CZ ARG A 599 20.889 -40.760 -8.111 1.00 23.43 C ATOM 1073 NH1 ARG A 599 20.867 -39.939 -7.089 1.00 3.33 N ATOM 1074 NH2 ARG A 599 21.821 -40.614 -9.009 1.00 51.14 N ATOM 0 H ARG A 599 14.721 -40.045 -5.962 1.00 12.14 H new ATOM 0 HA ARG A 599 15.219 -40.925 -8.751 1.00 24.04 H new ATOM 0 HB2 ARG A 599 16.427 -41.629 -6.076 1.00 22.02 H new ATOM 0 HB3 ARG A 599 16.335 -42.879 -7.301 1.00 22.02 H new ATOM 0 HG2 ARG A 599 17.533 -41.316 -8.884 1.00 22.54 H new ATOM 0 HG3 ARG A 599 17.741 -40.202 -7.548 1.00 22.54 H new ATOM 0 HD2 ARG A 599 19.133 -41.735 -6.339 1.00 51.50 H new ATOM 0 HD3 ARG A 599 18.662 -43.088 -7.348 1.00 51.50 H new ATOM 0 HE ARG A 599 20.109 -42.345 -9.074 1.00 31.23 H new ATOM 0 HH11 ARG A 599 20.149 -40.037 -6.372 1.00 3.33 H new ATOM 0 HH12 ARG A 599 21.568 -39.202 -7.011 1.00 3.33 H new ATOM 0 HH21 ARG A 599 21.860 -41.243 -9.811 1.00 51.14 H new ATOM 0 HH22 ARG A 599 22.512 -39.870 -8.911 1.00 51.14 H new ATOM 1088 N VAL A 600 13.577 -42.824 -8.637 1.00 64.13 N ATOM 1089 CA VAL A 600 12.516 -43.849 -8.637 1.00 61.12 C ATOM 1090 C VAL A 600 13.019 -45.055 -9.429 1.00 3.30 C ATOM 1091 O VAL A 600 13.518 -44.881 -10.536 1.00 21.44 O ATOM 1092 CB VAL A 600 11.221 -43.318 -9.339 1.00 24.11 C ATOM 1093 CG1 VAL A 600 10.111 -44.335 -9.320 1.00 41.24 C ATOM 1094 CG2 VAL A 600 10.784 -41.987 -8.733 1.00 15.33 C ATOM 0 H VAL A 600 13.995 -42.664 -9.554 1.00 64.13 H new ATOM 0 HA VAL A 600 12.280 -44.110 -7.605 1.00 61.12 H new ATOM 0 HB VAL A 600 11.461 -43.144 -10.388 1.00 24.11 H new ATOM 0 HG11 VAL A 600 9.233 -43.924 -9.818 1.00 41.24 H new ATOM 0 HG12 VAL A 600 10.434 -45.236 -9.841 1.00 41.24 H new ATOM 0 HG13 VAL A 600 9.861 -44.582 -8.288 1.00 41.24 H new ATOM 0 HG21 VAL A 600 9.883 -41.637 -9.236 1.00 15.33 H new ATOM 0 HG22 VAL A 600 10.578 -42.121 -7.671 1.00 15.33 H new ATOM 0 HG23 VAL A 600 11.579 -41.252 -8.859 1.00 15.33 H new ATOM 1104 N LYS A 601 12.910 -46.261 -8.885 1.00 33.12 N ATOM 1105 CA LYS A 601 13.330 -47.459 -9.625 1.00 34.45 C ATOM 1106 C LYS A 601 12.276 -47.802 -10.652 1.00 33.23 C ATOM 1107 O LYS A 601 11.089 -47.735 -10.349 1.00 55.53 O ATOM 1108 CB LYS A 601 13.453 -48.687 -8.732 1.00 24.14 C ATOM 1109 CG LYS A 601 14.494 -48.627 -7.648 1.00 43.30 C ATOM 1110 CD LYS A 601 14.637 -50.033 -7.094 1.00 3.44 C ATOM 1111 CE LYS A 601 15.192 -50.059 -5.689 1.00 55.23 C ATOM 1112 NZ LYS A 601 14.843 -51.383 -5.074 1.00 1.34 N ATOM 0 H LYS A 601 12.542 -46.441 -7.951 1.00 33.12 H new ATOM 0 HA LYS A 601 14.299 -47.225 -10.065 1.00 34.45 H new ATOM 0 HB2 LYS A 601 12.485 -48.868 -8.265 1.00 24.14 H new ATOM 0 HB3 LYS A 601 13.668 -49.548 -9.364 1.00 24.14 H new ATOM 0 HG2 LYS A 601 15.444 -48.270 -8.045 1.00 43.30 H new ATOM 0 HG3 LYS A 601 14.195 -47.932 -6.864 1.00 43.30 H new ATOM 0 HD2 LYS A 601 13.663 -50.522 -7.103 1.00 3.44 H new ATOM 0 HD3 LYS A 601 15.290 -50.611 -7.748 1.00 3.44 H new ATOM 0 HE2 LYS A 601 16.273 -49.920 -5.704 1.00 55.23 H new ATOM 0 HE3 LYS A 601 14.774 -49.243 -5.099 1.00 55.23 H new ATOM 0 HZ1 LYS A 601 14.587 -51.245 -4.076 1.00 1.34 H new ATOM 0 HZ2 LYS A 601 14.038 -51.801 -5.583 1.00 1.34 H new ATOM 0 HZ3 LYS A 601 15.662 -52.021 -5.136 1.00 1.34 H new ATOM 1126 N ILE A 602 12.706 -48.240 -11.821 1.00 22.02 N ATOM 1127 CA ILE A 602 11.792 -48.746 -12.834 1.00 72.41 C ATOM 1128 C ILE A 602 11.989 -50.252 -12.799 1.00 10.13 C ATOM 1129 O ILE A 602 13.122 -50.729 -12.749 1.00 25.21 O ATOM 1130 CB ILE A 602 12.088 -48.164 -14.252 1.00 11.42 C ATOM 1131 CG1 ILE A 602 12.274 -46.627 -14.171 1.00 0.11 C ATOM 1132 CG2 ILE A 602 10.940 -48.538 -15.222 1.00 15.20 C ATOM 1133 CD1 ILE A 602 11.085 -45.846 -13.634 1.00 11.20 C ATOM 0 H ILE A 602 13.688 -48.256 -12.095 1.00 22.02 H new ATOM 0 HA ILE A 602 10.763 -48.452 -12.628 1.00 72.41 H new ATOM 0 HB ILE A 602 13.014 -48.595 -14.634 1.00 11.42 H new ATOM 0 HG12 ILE A 602 13.138 -46.417 -13.540 1.00 0.11 H new ATOM 0 HG13 ILE A 602 12.509 -46.255 -15.168 1.00 0.11 H new ATOM 0 HG21 ILE A 602 11.151 -48.130 -16.210 1.00 15.20 H new ATOM 0 HG22 ILE A 602 10.858 -49.623 -15.288 1.00 15.20 H new ATOM 0 HG23 ILE A 602 10.002 -48.125 -14.852 1.00 15.20 H new ATOM 0 HD11 ILE A 602 11.324 -44.783 -13.621 1.00 11.20 H new ATOM 0 HD12 ILE A 602 10.219 -46.015 -14.274 1.00 11.20 H new ATOM 0 HD13 ILE A 602 10.858 -46.180 -12.621 1.00 11.20 H new ATOM 1145 N VAL A 603 10.893 -50.979 -12.710 1.00 4.23 N ATOM 1146 CA VAL A 603 10.921 -52.433 -12.594 1.00 41.24 C ATOM 1147 C VAL A 603 10.936 -53.014 -14.018 1.00 20.31 C ATOM 1148 O VAL A 603 10.341 -52.446 -14.928 1.00 24.22 O ATOM 1149 CB VAL A 603 9.696 -52.897 -11.747 1.00 40.34 C ATOM 1150 CG1 VAL A 603 9.624 -54.409 -11.609 1.00 50.11 C ATOM 1151 CG2 VAL A 603 9.784 -52.277 -10.329 1.00 2.23 C ATOM 0 H VAL A 603 9.953 -50.582 -12.716 1.00 4.23 H new ATOM 0 HA VAL A 603 11.810 -52.793 -12.077 1.00 41.24 H new ATOM 0 HB VAL A 603 8.800 -52.562 -12.269 1.00 40.34 H new ATOM 0 HG11 VAL A 603 8.754 -54.679 -11.011 1.00 50.11 H new ATOM 0 HG12 VAL A 603 9.539 -54.861 -12.597 1.00 50.11 H new ATOM 0 HG13 VAL A 603 10.527 -54.773 -11.120 1.00 50.11 H new ATOM 0 HG21 VAL A 603 8.928 -52.601 -9.737 1.00 2.23 H new ATOM 0 HG22 VAL A 603 10.705 -52.604 -9.845 1.00 2.23 H new ATOM 0 HG23 VAL A 603 9.781 -51.190 -10.406 1.00 2.23 H new ATOM 1295 N GLU A 612 3.307 -47.480 -19.728 1.00 42.34 N ATOM 1296 CA GLU A 612 2.823 -47.112 -18.416 1.00 22.13 C ATOM 1297 C GLU A 612 3.222 -45.669 -18.133 1.00 75.32 C ATOM 1298 O GLU A 612 4.190 -45.154 -18.679 1.00 73.12 O ATOM 1299 CB GLU A 612 3.339 -48.094 -17.368 1.00 5.31 C ATOM 1300 CG GLU A 612 3.143 -49.570 -17.790 1.00 72.11 C ATOM 1301 CD GLU A 612 1.786 -49.824 -18.471 1.00 24.21 C ATOM 1302 OE1 GLU A 612 0.735 -49.595 -17.832 1.00 74.33 O ATOM 1303 OE2 GLU A 612 1.784 -50.211 -19.676 1.00 51.10 O ATOM 0 HA GLU A 612 1.735 -47.169 -18.375 1.00 22.13 H new ATOM 0 HB2 GLU A 612 4.398 -47.908 -17.191 1.00 5.31 H new ATOM 0 HB3 GLU A 612 2.822 -47.918 -16.424 1.00 5.31 H new ATOM 0 HG2 GLU A 612 3.945 -49.857 -18.470 1.00 72.11 H new ATOM 0 HG3 GLU A 612 3.227 -50.208 -16.910 1.00 72.11 H new ATOM 1310 N ASN A 613 2.396 -44.993 -17.364 1.00 32.20 N ATOM 1311 CA ASN A 613 2.469 -43.551 -17.156 1.00 61.11 C ATOM 1312 C ASN A 613 2.470 -43.292 -15.671 1.00 2.32 C ATOM 1313 O ASN A 613 1.560 -43.728 -14.961 1.00 61.22 O ATOM 1314 CB ASN A 613 1.221 -42.954 -17.780 1.00 63.25 C ATOM 1315 CG ASN A 613 0.864 -41.601 -17.246 1.00 72.13 C ATOM 1316 OD1 ASN A 613 -0.262 -41.399 -16.833 1.00 12.25 O ATOM 1317 ND2 ASN A 613 1.771 -40.667 -17.283 1.00 22.20 N ATOM 0 H ASN A 613 1.634 -45.436 -16.851 1.00 32.20 H new ATOM 0 HA ASN A 613 3.365 -43.116 -17.599 1.00 61.11 H new ATOM 0 HB2 ASN A 613 1.364 -42.882 -18.858 1.00 63.25 H new ATOM 0 HB3 ASN A 613 0.384 -43.632 -17.614 1.00 63.25 H new ATOM 0 HD21 ASN A 613 1.548 -39.726 -16.958 1.00 22.20 H new ATOM 0 HD22 ASN A 613 2.705 -40.876 -17.637 1.00 22.20 H new ATOM 1324 N PHE A 614 3.447 -42.540 -15.198 1.00 60.43 N ATOM 1325 CA PHE A 614 3.433 -42.141 -13.800 1.00 53.23 C ATOM 1326 C PHE A 614 3.944 -40.747 -13.714 1.00 71.54 C ATOM 1327 O PHE A 614 4.400 -40.221 -14.688 1.00 55.23 O ATOM 1328 CB PHE A 614 4.165 -43.134 -12.866 1.00 71.41 C ATOM 1329 CG PHE A 614 5.702 -43.155 -12.945 1.00 14.34 C ATOM 1330 CD1 PHE A 614 6.504 -42.086 -12.466 1.00 12.13 C ATOM 1331 CD2 PHE A 614 6.349 -44.325 -13.378 1.00 33.22 C ATOM 1332 CE1 PHE A 614 7.907 -42.227 -12.325 1.00 30.15 C ATOM 1333 CE2 PHE A 614 7.752 -44.466 -13.269 1.00 22.54 C ATOM 1334 CZ PHE A 614 8.529 -43.424 -12.719 1.00 51.20 C ATOM 0 H PHE A 614 4.240 -42.200 -15.742 1.00 60.43 H new ATOM 0 HA PHE A 614 2.409 -42.167 -13.428 1.00 53.23 H new ATOM 0 HB2 PHE A 614 3.881 -42.907 -11.839 1.00 71.41 H new ATOM 0 HB3 PHE A 614 3.800 -44.138 -13.084 1.00 71.41 H new ATOM 0 HD1 PHE A 614 6.036 -41.148 -12.204 1.00 12.13 H new ATOM 0 HD2 PHE A 614 5.765 -45.129 -13.801 1.00 33.22 H new ATOM 0 HE1 PHE A 614 8.495 -41.419 -11.917 1.00 30.15 H new ATOM 0 HE2 PHE A 614 8.230 -45.373 -13.607 1.00 22.54 H new ATOM 0 HZ PHE A 614 9.596 -43.546 -12.602 1.00 51.20 H new ATOM 1344 N PHE A 615 3.817 -40.123 -12.565 1.00 44.32 N ATOM 1345 CA PHE A 615 4.337 -38.788 -12.354 1.00 74.21 C ATOM 1346 C PHE A 615 4.872 -38.798 -10.944 1.00 42.21 C ATOM 1347 O PHE A 615 4.639 -39.740 -10.224 1.00 14.31 O ATOM 1348 CB PHE A 615 3.261 -37.702 -12.488 1.00 11.25 C ATOM 1349 CG PHE A 615 1.887 -38.200 -12.880 1.00 51.30 C ATOM 1350 CD1 PHE A 615 1.650 -38.723 -14.156 1.00 33.34 C ATOM 1351 CD2 PHE A 615 0.809 -38.096 -11.985 1.00 0.55 C ATOM 1352 CE1 PHE A 615 0.373 -39.152 -14.541 1.00 44.21 C ATOM 1353 CE2 PHE A 615 -0.488 -38.531 -12.358 1.00 64.43 C ATOM 1354 CZ PHE A 615 -0.701 -39.062 -13.643 1.00 1.34 C ATOM 0 H PHE A 615 3.352 -40.524 -11.751 1.00 44.32 H new ATOM 0 HA PHE A 615 5.091 -38.552 -13.105 1.00 74.21 H new ATOM 0 HB2 PHE A 615 3.181 -37.174 -11.538 1.00 11.25 H new ATOM 0 HB3 PHE A 615 3.592 -36.975 -13.230 1.00 11.25 H new ATOM 0 HD1 PHE A 615 2.467 -38.797 -14.858 1.00 33.34 H new ATOM 0 HD2 PHE A 615 0.970 -37.680 -11.001 1.00 0.55 H new ATOM 0 HE1 PHE A 615 0.215 -39.553 -15.531 1.00 44.21 H new ATOM 0 HE2 PHE A 615 -1.308 -38.455 -11.659 1.00 64.43 H new ATOM 0 HZ PHE A 615 -1.685 -39.398 -13.936 1.00 1.34 H new ATOM 1364 N ILE A 616 5.567 -37.755 -10.522 1.00 64.34 N ATOM 1365 CA ILE A 616 5.998 -37.654 -9.130 1.00 22.32 C ATOM 1366 C ILE A 616 5.618 -36.279 -8.674 1.00 1.20 C ATOM 1367 O ILE A 616 6.108 -35.292 -9.205 1.00 73.24 O ATOM 1368 CB ILE A 616 7.529 -37.817 -8.961 1.00 44.21 C ATOM 1369 CG1 ILE A 616 8.121 -38.689 -10.082 1.00 10.44 C ATOM 1370 CG2 ILE A 616 7.842 -38.420 -7.586 1.00 50.54 C ATOM 1371 CD1 ILE A 616 9.589 -38.826 -9.981 1.00 13.44 C ATOM 0 H ILE A 616 5.845 -36.971 -11.113 1.00 64.34 H new ATOM 0 HA ILE A 616 5.527 -38.450 -8.553 1.00 22.32 H new ATOM 0 HB ILE A 616 7.990 -36.832 -9.029 1.00 44.21 H new ATOM 0 HG12 ILE A 616 7.664 -39.678 -10.047 1.00 10.44 H new ATOM 0 HG13 ILE A 616 7.866 -38.254 -11.048 1.00 10.44 H new ATOM 0 HG21 ILE A 616 8.921 -38.532 -7.475 1.00 50.54 H new ATOM 0 HG22 ILE A 616 7.463 -37.761 -6.805 1.00 50.54 H new ATOM 0 HG23 ILE A 616 7.365 -39.397 -7.500 1.00 50.54 H new ATOM 0 HD11 ILE A 616 9.953 -39.451 -10.796 1.00 13.44 H new ATOM 0 HD12 ILE A 616 10.052 -37.841 -10.044 1.00 13.44 H new ATOM 0 HD13 ILE A 616 9.847 -39.287 -9.028 1.00 13.44 H new ATOM 1383 N ALA A 617 4.707 -36.209 -7.727 1.00 14.25 N ATOM 1384 CA ALA A 617 4.214 -34.930 -7.246 1.00 32.32 C ATOM 1385 C ALA A 617 4.823 -34.710 -5.879 1.00 71.04 C ATOM 1386 O ALA A 617 5.099 -35.661 -5.137 1.00 74.14 O ATOM 1387 CB ALA A 617 2.681 -34.939 -7.164 1.00 63.11 C ATOM 0 H ALA A 617 4.291 -37.022 -7.273 1.00 14.25 H new ATOM 0 HA ALA A 617 4.493 -34.125 -7.926 1.00 32.32 H new ATOM 0 HB1 ALA A 617 2.330 -33.973 -6.802 1.00 63.11 H new ATOM 0 HB2 ALA A 617 2.265 -35.128 -8.153 1.00 63.11 H new ATOM 0 HB3 ALA A 617 2.358 -35.722 -6.478 1.00 63.11 H new ATOM 1393 N LEU A 618 5.024 -33.451 -5.550 1.00 10.13 N ATOM 1394 CA LEU A 618 5.564 -33.077 -4.261 1.00 70.15 C ATOM 1395 C LEU A 618 4.416 -32.944 -3.282 1.00 11.12 C ATOM 1396 O LEU A 618 3.299 -32.631 -3.678 1.00 40.21 O ATOM 1397 CB LEU A 618 6.305 -31.749 -4.392 1.00 32.22 C ATOM 1398 CG LEU A 618 7.495 -31.791 -5.362 1.00 42.42 C ATOM 1399 CD1 LEU A 618 7.968 -30.384 -5.636 1.00 31.13 C ATOM 1400 CD2 LEU A 618 8.620 -32.651 -4.798 1.00 31.33 C ATOM 0 H LEU A 618 4.819 -32.663 -6.165 1.00 10.13 H new ATOM 0 HA LEU A 618 6.263 -33.834 -3.904 1.00 70.15 H new ATOM 0 HB2 LEU A 618 5.604 -30.985 -4.727 1.00 32.22 H new ATOM 0 HB3 LEU A 618 6.662 -31.445 -3.408 1.00 32.22 H new ATOM 0 HG LEU A 618 7.178 -32.244 -6.301 1.00 42.42 H new ATOM 0 HD11 LEU A 618 8.813 -30.412 -6.324 1.00 31.13 H new ATOM 0 HD12 LEU A 618 7.157 -29.807 -6.080 1.00 31.13 H new ATOM 0 HD13 LEU A 618 8.277 -29.915 -4.702 1.00 31.13 H new ATOM 0 HD21 LEU A 618 9.453 -32.667 -5.501 1.00 31.33 H new ATOM 0 HD22 LEU A 618 8.955 -32.235 -3.848 1.00 31.33 H new ATOM 0 HD23 LEU A 618 8.258 -33.667 -4.641 1.00 31.33 H new ATOM 1412 N GLY A 619 4.700 -33.169 -2.007 1.00 75.23 N ATOM 1413 CA GLY A 619 3.690 -33.000 -0.975 1.00 73.51 C ATOM 1414 C GLY A 619 3.484 -31.523 -0.721 1.00 35.05 C ATOM 1415 O GLY A 619 2.628 -30.872 -1.304 1.00 65.35 O ATOM 0 H GLY A 619 5.614 -33.467 -1.665 1.00 75.23 H new ATOM 0 HA2 GLY A 619 2.753 -33.462 -1.286 1.00 73.51 H new ATOM 0 HA3 GLY A 619 4.002 -33.499 -0.058 1.00 73.51 H new ATOM 1419 N GLU A 620 4.346 -30.976 0.121 1.00 10.31 N ATOM 1420 CA GLU A 620 4.377 -29.545 0.374 1.00 24.45 C ATOM 1421 C GLU A 620 5.743 -29.253 0.978 1.00 13.33 C ATOM 1422 O GLU A 620 6.220 -29.981 1.851 1.00 13.12 O ATOM 1423 CB GLU A 620 3.236 -29.088 1.319 1.00 43.45 C ATOM 1424 CG GLU A 620 3.487 -29.280 2.821 1.00 42.53 C ATOM 1425 CD GLU A 620 2.447 -28.604 3.692 1.00 4.44 C ATOM 1426 OE1 GLU A 620 2.356 -27.352 3.637 1.00 52.22 O ATOM 1427 OE2 GLU A 620 1.814 -29.292 4.516 1.00 45.14 O ATOM 0 H GLU A 620 5.040 -31.508 0.646 1.00 10.31 H new ATOM 0 HA GLU A 620 4.221 -28.991 -0.552 1.00 24.45 H new ATOM 0 HB2 GLU A 620 3.041 -28.031 1.136 1.00 43.45 H new ATOM 0 HB3 GLU A 620 2.330 -29.631 1.050 1.00 43.45 H new ATOM 0 HG2 GLU A 620 3.503 -30.346 3.047 1.00 42.53 H new ATOM 0 HG3 GLU A 620 4.472 -28.887 3.071 1.00 42.53 H new ATOM 1434 N PRO A 621 6.422 -28.215 0.493 1.00 40.01 N ATOM 1435 CA PRO A 621 7.687 -27.900 1.152 1.00 43.44 C ATOM 1436 C PRO A 621 7.430 -27.347 2.561 1.00 11.34 C ATOM 1437 O PRO A 621 6.487 -26.584 2.781 1.00 12.11 O ATOM 1438 CB PRO A 621 8.296 -26.866 0.210 1.00 33.04 C ATOM 1439 CG PRO A 621 7.104 -26.205 -0.416 1.00 45.44 C ATOM 1440 CD PRO A 621 6.139 -27.301 -0.623 1.00 54.51 C ATOM 0 HA PRO A 621 8.346 -28.754 1.309 1.00 43.44 H new ATOM 0 HB2 PRO A 621 8.914 -26.148 0.750 1.00 33.04 H new ATOM 0 HB3 PRO A 621 8.933 -27.335 -0.540 1.00 33.04 H new ATOM 0 HG2 PRO A 621 6.693 -25.432 0.233 1.00 45.44 H new ATOM 0 HG3 PRO A 621 7.366 -25.724 -1.358 1.00 45.44 H new ATOM 0 HD2 PRO A 621 5.110 -26.942 -0.598 1.00 54.51 H new ATOM 0 HD3 PRO A 621 6.283 -27.787 -1.588 1.00 54.51 H new ATOM 1448 N LYS A 622 8.250 -27.754 3.522 1.00 1.35 N ATOM 1449 CA LYS A 622 8.091 -27.339 4.925 1.00 62.43 C ATOM 1450 C LYS A 622 9.425 -26.810 5.413 1.00 70.23 C ATOM 1451 O LYS A 622 10.433 -27.413 5.175 1.00 5.14 O ATOM 1452 CB LYS A 622 7.674 -28.542 5.777 1.00 23.14 C ATOM 1453 CG LYS A 622 6.314 -29.131 5.386 1.00 31.32 C ATOM 1454 CD LYS A 622 6.033 -30.476 6.053 1.00 44.12 C ATOM 1455 CE LYS A 622 6.894 -31.584 5.438 1.00 60.51 C ATOM 1456 NZ LYS A 622 6.543 -32.942 5.964 1.00 52.44 N ATOM 0 H LYS A 622 9.041 -28.377 3.361 1.00 1.35 H new ATOM 0 HA LYS A 622 7.324 -26.569 5.006 1.00 62.43 H new ATOM 0 HB2 LYS A 622 8.435 -29.318 5.691 1.00 23.14 H new ATOM 0 HB3 LYS A 622 7.642 -28.241 6.824 1.00 23.14 H new ATOM 0 HG2 LYS A 622 5.528 -28.426 5.656 1.00 31.32 H new ATOM 0 HG3 LYS A 622 6.275 -29.253 4.304 1.00 31.32 H new ATOM 0 HD2 LYS A 622 6.234 -30.405 7.122 1.00 44.12 H new ATOM 0 HD3 LYS A 622 4.978 -30.727 5.943 1.00 44.12 H new ATOM 0 HE2 LYS A 622 6.773 -31.575 4.355 1.00 60.51 H new ATOM 0 HE3 LYS A 622 7.945 -31.379 5.643 1.00 60.51 H new ATOM 0 HZ1 LYS A 622 7.218 -33.642 5.596 1.00 52.44 H new ATOM 0 HZ2 LYS A 622 6.585 -32.933 7.003 1.00 52.44 H new ATOM 0 HZ3 LYS A 622 5.581 -33.195 5.659 1.00 52.44 H new ATOM 1470 N TRP A 623 9.431 -25.693 6.104 1.00 24.25 N ATOM 1471 CA TRP A 623 10.678 -25.029 6.502 1.00 13.02 C ATOM 1472 C TRP A 623 11.221 -25.646 7.750 1.00 43.05 C ATOM 1473 O TRP A 623 10.675 -25.441 8.838 1.00 74.22 O ATOM 1474 CB TRP A 623 10.334 -23.589 6.780 1.00 3.13 C ATOM 1475 CG TRP A 623 11.409 -22.628 6.581 1.00 42.35 C ATOM 1476 CD1 TRP A 623 12.640 -22.811 6.043 1.00 70.01 C ATOM 1477 CD2 TRP A 623 11.353 -21.260 6.951 1.00 12.11 C ATOM 1478 NE1 TRP A 623 13.329 -21.638 5.976 1.00 1.43 N ATOM 1479 CE2 TRP A 623 12.561 -20.650 6.516 1.00 41.45 C ATOM 1480 CE3 TRP A 623 10.418 -20.496 7.654 1.00 62.11 C ATOM 1481 CZ2 TRP A 623 12.821 -19.281 6.706 1.00 74.43 C ATOM 1482 CZ3 TRP A 623 10.680 -19.174 7.909 1.00 12.21 C ATOM 1483 CH2 TRP A 623 11.875 -18.541 7.394 1.00 34.44 C ATOM 0 H TRP A 623 8.585 -25.212 6.410 1.00 24.25 H new ATOM 0 HA TRP A 623 11.428 -25.124 5.717 1.00 13.02 H new ATOM 0 HB2 TRP A 623 9.497 -23.306 6.142 1.00 3.13 H new ATOM 0 HB3 TRP A 623 9.989 -23.511 7.811 1.00 3.13 H new ATOM 0 HD1 TRP A 623 13.025 -23.764 5.711 1.00 70.01 H new ATOM 0 HE1 TRP A 623 14.264 -21.519 5.587 1.00 1.43 H new ATOM 0 HE3 TRP A 623 9.496 -20.943 7.994 1.00 62.11 H new ATOM 0 HZ2 TRP A 623 13.724 -18.824 6.329 1.00 74.43 H new ATOM 0 HZ3 TRP A 623 9.985 -18.598 8.502 1.00 12.21 H new ATOM 0 HH2 TRP A 623 12.030 -17.483 7.548 1.00 34.44 H new ATOM 1494 N MET A 624 12.327 -26.368 7.634 1.00 43.14 N ATOM 1495 CA MET A 624 13.003 -26.704 8.838 1.00 54.52 C ATOM 1496 C MET A 624 14.447 -26.258 8.881 1.00 22.33 C ATOM 1497 O MET A 624 15.409 -27.013 9.013 1.00 54.23 O ATOM 1498 CB MET A 624 13.209 -28.165 8.654 1.00 5.12 C ATOM 1499 CG MET A 624 12.011 -29.043 8.312 1.00 31.14 C ATOM 1500 SD MET A 624 10.866 -29.300 9.649 1.00 55.11 S ATOM 1501 CE MET A 624 9.998 -30.699 8.967 1.00 60.40 C ATOM 0 H MET A 624 12.741 -26.707 6.766 1.00 43.14 H new ATOM 0 HA MET A 624 12.448 -26.299 9.684 1.00 54.52 H new ATOM 0 HB2 MET A 624 13.949 -28.296 7.865 1.00 5.12 H new ATOM 0 HB3 MET A 624 13.650 -28.553 9.572 1.00 5.12 H new ATOM 0 HG2 MET A 624 11.476 -28.593 7.476 1.00 31.14 H new ATOM 0 HG3 MET A 624 12.375 -30.013 7.973 1.00 31.14 H new ATOM 0 HE1 MET A 624 9.223 -31.021 9.663 1.00 60.40 H new ATOM 0 HE2 MET A 624 9.540 -30.416 8.019 1.00 60.40 H new ATOM 0 HE3 MET A 624 10.699 -31.517 8.801 1.00 60.40 H new ATOM 1511 N GLU A 625 14.486 -25.020 9.212 1.00 12.12 N ATOM 1512 CA GLU A 625 15.476 -24.346 9.991 1.00 62.20 C ATOM 1513 C GLU A 625 14.641 -23.250 10.559 1.00 32.42 C ATOM 1514 O GLU A 625 14.937 -22.240 10.114 1.00 0.45 O ATOM 1515 CB GLU A 625 16.420 -23.789 8.915 1.00 45.44 C ATOM 1516 CG GLU A 625 17.516 -22.779 9.279 1.00 43.31 C ATOM 1517 CD GLU A 625 18.858 -23.130 8.673 1.00 64.01 C ATOM 1518 OE1 GLU A 625 18.942 -23.203 7.426 1.00 35.11 O ATOM 1519 OE2 GLU A 625 19.833 -23.310 9.423 1.00 11.42 O ATOM 0 H GLU A 625 13.749 -24.380 8.915 1.00 12.12 H new ATOM 0 HA GLU A 625 16.036 -24.895 10.749 1.00 62.20 H new ATOM 0 HB2 GLU A 625 16.913 -24.642 8.448 1.00 45.44 H new ATOM 0 HB3 GLU A 625 15.797 -23.324 8.151 1.00 45.44 H new ATOM 0 HG2 GLU A 625 17.217 -21.787 8.940 1.00 43.31 H new ATOM 0 HG3 GLU A 625 17.613 -22.730 10.364 1.00 43.31 H new ATOM 1526 N ARG A 626 13.932 -23.260 11.674 1.00 22.31 N ATOM 1527 CA ARG A 626 13.134 -22.046 12.130 1.00 41.25 C ATOM 1528 C ARG A 626 12.122 -22.511 13.151 1.00 51.21 C ATOM 1529 O ARG A 626 12.098 -22.032 14.270 1.00 52.34 O ATOM 1530 CB ARG A 626 12.276 -21.201 11.034 1.00 31.31 C ATOM 1531 CG ARG A 626 12.989 -20.452 9.918 1.00 52.22 C ATOM 1532 CD ARG A 626 14.055 -19.457 10.436 1.00 45.22 C ATOM 1533 NE ARG A 626 13.703 -18.060 10.135 1.00 55.21 N ATOM 1534 CZ ARG A 626 12.989 -17.255 10.918 1.00 0.41 C ATOM 1535 NH1 ARG A 626 12.490 -17.634 12.065 1.00 4.32 N ATOM 1536 NH2 ARG A 626 12.782 -16.029 10.537 1.00 4.53 N ATOM 0 H ARG A 626 13.868 -24.064 12.299 1.00 22.31 H new ATOM 0 HA ARG A 626 13.914 -21.367 12.474 1.00 41.25 H new ATOM 0 HB2 ARG A 626 11.579 -21.895 10.564 1.00 31.31 H new ATOM 0 HB3 ARG A 626 11.679 -20.472 11.583 1.00 31.31 H new ATOM 0 HG2 ARG A 626 13.466 -21.172 9.253 1.00 52.22 H new ATOM 0 HG3 ARG A 626 12.253 -19.910 9.325 1.00 52.22 H new ATOM 0 HD2 ARG A 626 14.169 -19.577 11.513 1.00 45.22 H new ATOM 0 HD3 ARG A 626 15.019 -19.692 9.985 1.00 45.22 H new ATOM 0 HE ARG A 626 14.035 -17.676 9.250 1.00 55.21 H new ATOM 0 HH11 ARG A 626 12.641 -18.586 12.397 1.00 4.32 H new ATOM 0 HH12 ARG A 626 11.949 -16.977 12.628 1.00 4.32 H new ATOM 0 HH21 ARG A 626 13.165 -15.699 9.651 1.00 4.53 H new ATOM 0 HH22 ARG A 626 12.237 -15.398 11.124 1.00 4.53 H new ATOM 1916 N GLY A 650 7.314 -17.717 6.964 1.00 11.30 N ATOM 1917 CA GLY A 650 8.240 -18.004 5.874 1.00 23.32 C ATOM 1918 C GLY A 650 7.857 -19.160 4.975 1.00 24.03 C ATOM 1919 O GLY A 650 8.730 -19.747 4.348 1.00 32.14 O ATOM 0 HA2 GLY A 650 8.339 -17.108 5.261 1.00 23.32 H new ATOM 0 HA3 GLY A 650 9.222 -18.209 6.300 1.00 23.32 H new ATOM 1923 N LYS A 651 6.589 -19.547 4.971 1.00 51.23 N ATOM 1924 CA LYS A 651 6.161 -20.803 4.357 1.00 1.45 C ATOM 1925 C LYS A 651 6.503 -20.917 2.871 1.00 72.03 C ATOM 1926 O LYS A 651 5.971 -20.165 2.050 1.00 31.41 O ATOM 1927 CB LYS A 651 4.645 -20.960 4.522 1.00 52.44 C ATOM 1928 CG LYS A 651 4.213 -22.088 5.456 1.00 40.21 C ATOM 1929 CD LYS A 651 3.544 -23.253 4.694 1.00 45.32 C ATOM 1930 CE LYS A 651 4.573 -24.148 4.005 1.00 4.14 C ATOM 1931 NZ LYS A 651 3.954 -25.143 3.068 1.00 2.44 N ATOM 0 H LYS A 651 5.831 -19.007 5.389 1.00 51.23 H new ATOM 0 HA LYS A 651 6.708 -21.593 4.871 1.00 1.45 H new ATOM 0 HB2 LYS A 651 4.236 -20.022 4.896 1.00 52.44 H new ATOM 0 HB3 LYS A 651 4.203 -21.132 3.540 1.00 52.44 H new ATOM 0 HG2 LYS A 651 5.082 -22.462 5.997 1.00 40.21 H new ATOM 0 HG3 LYS A 651 3.519 -21.696 6.199 1.00 40.21 H new ATOM 0 HD2 LYS A 651 2.952 -23.849 5.389 1.00 45.32 H new ATOM 0 HD3 LYS A 651 2.855 -22.852 3.950 1.00 45.32 H new ATOM 0 HE2 LYS A 651 5.275 -23.525 3.451 1.00 4.14 H new ATOM 0 HE3 LYS A 651 5.148 -24.680 4.763 1.00 4.14 H new ATOM 0 HZ1 LYS A 651 4.698 -25.743 2.657 1.00 2.44 H new ATOM 0 HZ2 LYS A 651 3.279 -25.737 3.590 1.00 2.44 H new ATOM 0 HZ3 LYS A 651 3.456 -24.639 2.307 1.00 2.44 H new ATOM 1945 N PRO A 652 7.360 -21.886 2.498 1.00 3.04 N ATOM 1946 CA PRO A 652 7.607 -22.085 1.070 1.00 42.33 C ATOM 1947 C PRO A 652 6.388 -22.660 0.376 1.00 25.31 C ATOM 1948 O PRO A 652 5.505 -23.247 1.012 1.00 3.43 O ATOM 1949 CB PRO A 652 8.756 -23.091 1.059 1.00 75.42 C ATOM 1950 CG PRO A 652 8.595 -23.839 2.312 1.00 11.14 C ATOM 1951 CD PRO A 652 8.128 -22.851 3.312 1.00 14.30 C ATOM 0 HA PRO A 652 7.834 -21.157 0.544 1.00 42.33 H new ATOM 0 HB2 PRO A 652 8.700 -23.750 0.192 1.00 75.42 H new ATOM 0 HB3 PRO A 652 9.723 -22.590 1.016 1.00 75.42 H new ATOM 0 HG2 PRO A 652 7.874 -24.648 2.195 1.00 11.14 H new ATOM 0 HG3 PRO A 652 9.537 -24.293 2.621 1.00 11.14 H new ATOM 0 HD2 PRO A 652 7.507 -23.316 4.078 1.00 14.30 H new ATOM 0 HD3 PRO A 652 8.962 -22.372 3.825 1.00 14.30 H new ATOM 1959 N VAL A 653 6.350 -22.498 -0.933 1.00 5.55 N ATOM 1960 CA VAL A 653 5.218 -22.958 -1.745 1.00 41.34 C ATOM 1961 C VAL A 653 5.691 -23.707 -2.993 1.00 44.24 C ATOM 1962 O VAL A 653 6.880 -23.716 -3.316 1.00 3.51 O ATOM 1963 CB VAL A 653 4.303 -21.760 -2.169 1.00 75.22 C ATOM 1964 CG1 VAL A 653 3.669 -21.100 -0.932 1.00 21.02 C ATOM 1965 CG2 VAL A 653 5.088 -20.715 -2.963 1.00 45.04 C ATOM 0 H VAL A 653 7.092 -22.048 -1.469 1.00 5.55 H new ATOM 0 HA VAL A 653 4.640 -23.644 -1.125 1.00 41.34 H new ATOM 0 HB VAL A 653 3.515 -22.159 -2.808 1.00 75.22 H new ATOM 0 HG11 VAL A 653 3.037 -20.270 -1.246 1.00 21.02 H new ATOM 0 HG12 VAL A 653 3.065 -21.834 -0.397 1.00 21.02 H new ATOM 0 HG13 VAL A 653 4.455 -20.729 -0.275 1.00 21.02 H new ATOM 0 HG21 VAL A 653 4.425 -19.897 -3.242 1.00 45.04 H new ATOM 0 HG22 VAL A 653 5.903 -20.329 -2.350 1.00 45.04 H new ATOM 0 HG23 VAL A 653 5.497 -21.174 -3.863 1.00 45.04 H new ATOM 1975 N LEU A 654 4.754 -24.345 -3.677 1.00 12.33 N ATOM 1976 CA LEU A 654 5.039 -25.080 -4.907 1.00 4.22 C ATOM 1977 C LEU A 654 5.090 -24.090 -6.071 1.00 64.22 C ATOM 1978 O LEU A 654 4.624 -22.960 -5.953 1.00 33.12 O ATOM 1979 CB LEU A 654 3.948 -26.138 -5.177 1.00 43.50 C ATOM 1980 CG LEU A 654 3.814 -27.366 -4.244 1.00 73.41 C ATOM 1981 CD1 LEU A 654 5.157 -28.072 -4.074 1.00 52.24 C ATOM 1982 CD2 LEU A 654 3.211 -27.032 -2.876 1.00 3.43 C ATOM 0 H LEU A 654 3.773 -24.370 -3.398 1.00 12.33 H new ATOM 0 HA LEU A 654 5.995 -25.592 -4.803 1.00 4.22 H new ATOM 0 HB2 LEU A 654 2.988 -25.622 -5.174 1.00 43.50 H new ATOM 0 HB3 LEU A 654 4.104 -26.514 -6.188 1.00 43.50 H new ATOM 0 HG LEU A 654 3.112 -28.039 -4.736 1.00 73.41 H new ATOM 0 HD11 LEU A 654 5.036 -28.931 -3.414 1.00 52.24 H new ATOM 0 HD12 LEU A 654 5.516 -28.409 -5.046 1.00 52.24 H new ATOM 0 HD13 LEU A 654 5.879 -27.380 -3.640 1.00 52.24 H new ATOM 0 HD21 LEU A 654 3.147 -27.939 -2.275 1.00 3.43 H new ATOM 0 HD22 LEU A 654 3.843 -26.304 -2.368 1.00 3.43 H new ATOM 0 HD23 LEU A 654 2.213 -26.615 -3.010 1.00 3.43 H new ATOM 1994 N GLY A 655 5.673 -24.526 -7.179 1.00 2.14 N ATOM 1995 CA GLY A 655 5.821 -23.692 -8.361 1.00 3.24 C ATOM 1996 C GLY A 655 4.894 -24.061 -9.490 1.00 72.23 C ATOM 1997 O GLY A 655 3.820 -24.610 -9.288 1.00 74.43 O ATOM 0 H GLY A 655 6.056 -25.466 -7.283 1.00 2.14 H new ATOM 0 HA2 GLY A 655 5.645 -22.653 -8.084 1.00 3.24 H new ATOM 0 HA3 GLY A 655 6.850 -23.758 -8.713 1.00 3.24 H new ATOM 2001 N GLU A 656 5.332 -23.737 -10.696 1.00 14.51 N ATOM 2002 CA GLU A 656 4.543 -23.958 -11.910 1.00 51.33 C ATOM 2003 C GLU A 656 4.594 -25.411 -12.390 1.00 3.33 C ATOM 2004 O GLU A 656 3.625 -25.920 -12.940 1.00 14.54 O ATOM 2005 CB GLU A 656 5.012 -23.055 -13.038 1.00 0.03 C ATOM 2006 CG GLU A 656 5.746 -21.831 -12.581 1.00 25.50 C ATOM 2007 CD GLU A 656 7.220 -22.129 -12.296 1.00 31.23 C ATOM 2008 OE1 GLU A 656 7.930 -22.573 -13.220 1.00 5.34 O ATOM 2009 OE2 GLU A 656 7.613 -22.078 -11.105 1.00 53.44 O ATOM 0 H GLU A 656 6.244 -23.313 -10.867 1.00 14.51 H new ATOM 0 HA GLU A 656 3.513 -23.720 -11.644 1.00 51.33 H new ATOM 0 HB2 GLU A 656 5.661 -23.628 -13.701 1.00 0.03 H new ATOM 0 HB3 GLU A 656 4.147 -22.748 -13.626 1.00 0.03 H new ATOM 0 HG2 GLU A 656 5.672 -21.056 -13.344 1.00 25.50 H new ATOM 0 HG3 GLU A 656 5.273 -21.438 -11.681 1.00 25.50 H new ATOM 2016 N HIS A 657 5.729 -26.073 -12.178 1.00 42.45 N ATOM 2017 CA HIS A 657 5.908 -27.471 -12.604 1.00 4.25 C ATOM 2018 C HIS A 657 6.390 -28.379 -11.464 1.00 74.33 C ATOM 2019 O HIS A 657 7.423 -28.996 -11.581 1.00 64.43 O ATOM 2020 CB HIS A 657 6.953 -27.553 -13.745 1.00 53.34 C ATOM 2021 CG HIS A 657 6.785 -26.512 -14.810 1.00 71.24 C ATOM 2022 ND1 HIS A 657 6.151 -26.740 -16.039 1.00 61.50 N ATOM 2023 CD2 HIS A 657 7.193 -25.217 -14.872 1.00 63.54 C ATOM 2024 CE1 HIS A 657 6.195 -25.625 -16.753 1.00 3.32 C ATOM 2025 NE2 HIS A 657 6.813 -24.699 -16.069 1.00 15.53 N ATOM 0 H HIS A 657 6.543 -25.669 -11.714 1.00 42.45 H new ATOM 0 HA HIS A 657 4.929 -27.815 -12.938 1.00 4.25 H new ATOM 0 HB2 HIS A 657 7.951 -27.459 -13.316 1.00 53.34 H new ATOM 0 HB3 HIS A 657 6.895 -28.539 -14.205 1.00 53.34 H new ATOM 0 HD1 HIS A 657 5.726 -27.619 -16.335 1.00 61.50 H new ATOM 0 HD2 HIS A 657 7.730 -24.688 -14.099 1.00 63.54 H new ATOM 0 HE1 HIS A 657 5.785 -25.501 -17.744 1.00 3.32 H new ATOM 2033 N PRO A 658 5.653 -28.480 -10.347 1.00 33.45 N ATOM 2034 CA PRO A 658 6.105 -29.333 -9.233 1.00 34.33 C ATOM 2035 C PRO A 658 5.908 -30.847 -9.463 1.00 32.12 C ATOM 2036 O PRO A 658 5.721 -31.613 -8.514 1.00 42.24 O ATOM 2037 CB PRO A 658 5.228 -28.843 -8.083 1.00 12.13 C ATOM 2038 CG PRO A 658 3.965 -28.476 -8.752 1.00 15.42 C ATOM 2039 CD PRO A 658 4.387 -27.806 -10.009 1.00 40.23 C ATOM 0 HA PRO A 658 7.180 -29.247 -9.072 1.00 34.33 H new ATOM 0 HB2 PRO A 658 5.075 -29.620 -7.334 1.00 12.13 H new ATOM 0 HB3 PRO A 658 5.675 -27.990 -7.571 1.00 12.13 H new ATOM 0 HG2 PRO A 658 3.355 -29.356 -8.957 1.00 15.42 H new ATOM 0 HG3 PRO A 658 3.366 -27.811 -8.130 1.00 15.42 H new ATOM 0 HD2 PRO A 658 3.644 -27.927 -10.798 1.00 40.23 H new ATOM 0 HD3 PRO A 658 4.528 -26.735 -9.866 1.00 40.23 H new ATOM 2047 N LYS A 659 5.897 -31.250 -10.727 1.00 55.30 N ATOM 2048 CA LYS A 659 5.652 -32.635 -11.125 1.00 11.21 C ATOM 2049 C LYS A 659 6.209 -32.865 -12.506 1.00 43.50 C ATOM 2050 O LYS A 659 6.120 -31.990 -13.357 1.00 33.52 O ATOM 2051 CB LYS A 659 4.154 -32.886 -11.132 1.00 41.44 C ATOM 2052 CG LYS A 659 3.759 -34.341 -11.376 1.00 30.41 C ATOM 2053 CD LYS A 659 2.347 -34.604 -10.891 1.00 62.34 C ATOM 2054 CE LYS A 659 1.361 -33.939 -11.751 1.00 13.22 C ATOM 2055 NZ LYS A 659 1.294 -34.508 -13.186 1.00 61.23 N ATOM 0 H LYS A 659 6.059 -30.621 -11.514 1.00 55.30 H new ATOM 0 HA LYS A 659 6.137 -33.315 -10.424 1.00 11.21 H new ATOM 0 HB2 LYS A 659 3.740 -32.565 -10.176 1.00 41.44 H new ATOM 0 HB3 LYS A 659 3.697 -32.264 -11.902 1.00 41.44 H new ATOM 0 HG2 LYS A 659 3.831 -34.569 -12.439 1.00 30.41 H new ATOM 0 HG3 LYS A 659 4.455 -35.003 -10.860 1.00 30.41 H new ATOM 0 HD2 LYS A 659 2.158 -35.677 -10.878 1.00 62.34 H new ATOM 0 HD3 LYS A 659 2.239 -34.249 -9.866 1.00 62.34 H new ATOM 0 HE2 LYS A 659 0.377 -34.024 -11.291 1.00 13.22 H new ATOM 0 HE3 LYS A 659 1.598 -32.876 -11.803 1.00 13.22 H new ATOM 0 HZ1 LYS A 659 0.349 -34.336 -13.584 1.00 61.23 H new ATOM 0 HZ2 LYS A 659 2.009 -34.040 -13.779 1.00 61.23 H new ATOM 0 HZ3 LYS A 659 1.479 -35.531 -13.163 1.00 61.23 H new ATOM 2069 N LEU A 660 6.749 -34.053 -12.715 1.00 44.35 N ATOM 2070 CA LEU A 660 7.260 -34.468 -14.013 1.00 10.13 C ATOM 2071 C LEU A 660 6.404 -35.655 -14.413 1.00 32.10 C ATOM 2072 O LEU A 660 6.319 -36.614 -13.650 1.00 2.20 O ATOM 2073 CB LEU A 660 8.735 -34.906 -13.894 1.00 54.01 C ATOM 2074 CG LEU A 660 9.719 -34.719 -15.072 1.00 43.53 C ATOM 2075 CD1 LEU A 660 10.814 -35.803 -15.085 1.00 13.34 C ATOM 2076 CD2 LEU A 660 9.035 -34.706 -16.396 1.00 11.21 C ATOM 0 H LEU A 660 6.847 -34.761 -11.987 1.00 44.35 H new ATOM 0 HA LEU A 660 7.218 -33.660 -14.743 1.00 10.13 H new ATOM 0 HB2 LEU A 660 9.157 -34.378 -13.039 1.00 54.01 H new ATOM 0 HB3 LEU A 660 8.734 -35.967 -13.644 1.00 54.01 H new ATOM 0 HG LEU A 660 10.179 -33.744 -14.911 1.00 43.53 H new ATOM 0 HD11 LEU A 660 11.483 -35.634 -15.928 1.00 13.34 H new ATOM 0 HD12 LEU A 660 11.382 -35.757 -14.156 1.00 13.34 H new ATOM 0 HD13 LEU A 660 10.352 -36.786 -15.180 1.00 13.34 H new ATOM 0 HD21 LEU A 660 9.774 -34.572 -17.186 1.00 11.21 H new ATOM 0 HD22 LEU A 660 8.512 -35.651 -16.545 1.00 11.21 H new ATOM 0 HD23 LEU A 660 8.318 -33.886 -16.427 1.00 11.21 H new ATOM 2088 N GLU A 661 5.747 -35.592 -15.559 1.00 53.35 N ATOM 2089 CA GLU A 661 4.974 -36.725 -16.056 1.00 30.31 C ATOM 2090 C GLU A 661 5.913 -37.643 -16.792 1.00 71.23 C ATOM 2091 O GLU A 661 6.752 -37.184 -17.534 1.00 31.04 O ATOM 2092 CB GLU A 661 3.900 -36.267 -17.025 1.00 3.31 C ATOM 2093 CG GLU A 661 2.822 -37.292 -17.206 1.00 0.30 C ATOM 2094 CD GLU A 661 1.449 -36.725 -16.821 1.00 21.12 C ATOM 2095 OE1 GLU A 661 1.346 -36.073 -15.739 1.00 71.14 O ATOM 2096 OE2 GLU A 661 0.486 -36.918 -17.585 1.00 41.32 O ATOM 0 H GLU A 661 5.731 -34.771 -16.164 1.00 53.35 H new ATOM 0 HA GLU A 661 4.497 -37.227 -15.214 1.00 30.31 H new ATOM 0 HB2 GLU A 661 3.458 -35.339 -16.662 1.00 3.31 H new ATOM 0 HB3 GLU A 661 4.355 -36.047 -17.991 1.00 3.31 H new ATOM 0 HG2 GLU A 661 2.803 -37.625 -18.244 1.00 0.30 H new ATOM 0 HG3 GLU A 661 3.042 -38.167 -16.594 1.00 0.30 H new ATOM 2103 N VAL A 662 5.783 -38.928 -16.566 1.00 51.21 N ATOM 2104 CA VAL A 662 6.665 -39.937 -17.112 1.00 43.20 C ATOM 2105 C VAL A 662 5.862 -40.954 -17.883 1.00 32.30 C ATOM 2106 O VAL A 662 4.717 -41.252 -17.546 1.00 53.54 O ATOM 2107 CB VAL A 662 7.499 -40.613 -15.967 1.00 44.42 C ATOM 2108 CG1 VAL A 662 7.556 -39.762 -14.686 1.00 61.44 C ATOM 2109 CG2 VAL A 662 7.216 -42.007 -15.791 1.00 21.34 C ATOM 0 H VAL A 662 5.041 -39.314 -15.982 1.00 51.21 H new ATOM 0 HA VAL A 662 7.369 -39.467 -17.798 1.00 43.20 H new ATOM 0 HB VAL A 662 8.535 -40.630 -16.305 1.00 44.42 H new ATOM 0 HG11 VAL A 662 8.146 -40.281 -13.930 1.00 61.44 H new ATOM 0 HG12 VAL A 662 8.017 -38.800 -14.909 1.00 61.44 H new ATOM 0 HG13 VAL A 662 6.545 -39.602 -14.310 1.00 61.44 H new ATOM 0 HG21 VAL A 662 7.830 -42.404 -14.983 1.00 21.34 H new ATOM 0 HG22 VAL A 662 6.162 -42.136 -15.543 1.00 21.34 H new ATOM 0 HG23 VAL A 662 7.440 -42.543 -16.713 1.00 21.34 H new ATOM 2119 N ILE A 663 6.479 -41.476 -18.926 1.00 14.32 N ATOM 2120 CA ILE A 663 5.919 -42.555 -19.719 1.00 14.51 C ATOM 2121 C ILE A 663 7.047 -43.557 -19.838 1.00 43.10 C ATOM 2122 O ILE A 663 8.172 -43.154 -20.115 1.00 75.11 O ATOM 2123 CB ILE A 663 5.530 -42.060 -21.132 1.00 54.12 C ATOM 2124 CG1 ILE A 663 4.380 -41.039 -21.044 1.00 72.04 C ATOM 2125 CG2 ILE A 663 5.176 -43.241 -22.043 1.00 22.43 C ATOM 2126 CD1 ILE A 663 2.957 -41.663 -21.057 1.00 42.32 C ATOM 0 H ILE A 663 7.393 -41.160 -19.250 1.00 14.32 H new ATOM 0 HA ILE A 663 5.018 -42.966 -19.263 1.00 14.51 H new ATOM 0 HB ILE A 663 6.388 -41.555 -21.576 1.00 54.12 H new ATOM 0 HG12 ILE A 663 4.498 -40.456 -20.130 1.00 72.04 H new ATOM 0 HG13 ILE A 663 4.465 -40.343 -21.879 1.00 72.04 H new ATOM 0 HG21 ILE A 663 4.906 -42.870 -23.031 1.00 22.43 H new ATOM 0 HG22 ILE A 663 6.036 -43.906 -22.128 1.00 22.43 H new ATOM 0 HG23 ILE A 663 4.335 -43.789 -21.618 1.00 22.43 H new ATOM 0 HD11 ILE A 663 2.212 -40.870 -20.991 1.00 42.32 H new ATOM 0 HD12 ILE A 663 2.813 -42.221 -21.982 1.00 42.32 H new ATOM 0 HD13 ILE A 663 2.847 -42.336 -20.206 1.00 42.32 H new ATOM 2138 N ILE A 664 6.765 -44.832 -19.644 1.00 11.34 N ATOM 2139 CA ILE A 664 7.750 -45.881 -19.883 1.00 52.53 C ATOM 2140 C ILE A 664 7.595 -46.259 -21.365 1.00 52.12 C ATOM 2141 O ILE A 664 6.528 -46.711 -21.774 1.00 50.23 O ATOM 2142 CB ILE A 664 7.529 -47.107 -18.944 1.00 63.13 C ATOM 2143 CG1 ILE A 664 7.548 -46.642 -17.466 1.00 72.32 C ATOM 2144 CG2 ILE A 664 8.623 -48.170 -19.191 1.00 11.13 C ATOM 2145 CD1 ILE A 664 7.300 -47.754 -16.426 1.00 1.02 C ATOM 0 H ILE A 664 5.859 -45.171 -19.320 1.00 11.34 H new ATOM 0 HA ILE A 664 8.761 -45.537 -19.665 1.00 52.53 H new ATOM 0 HB ILE A 664 6.559 -47.555 -19.160 1.00 63.13 H new ATOM 0 HG12 ILE A 664 8.514 -46.181 -17.259 1.00 72.32 H new ATOM 0 HG13 ILE A 664 6.791 -45.868 -17.335 1.00 72.32 H new ATOM 0 HG21 ILE A 664 8.459 -49.021 -18.530 1.00 11.13 H new ATOM 0 HG22 ILE A 664 8.580 -48.502 -20.228 1.00 11.13 H new ATOM 0 HG23 ILE A 664 9.603 -47.737 -18.989 1.00 11.13 H new ATOM 0 HD11 ILE A 664 7.333 -47.328 -15.423 1.00 1.02 H new ATOM 0 HD12 ILE A 664 6.321 -48.202 -16.598 1.00 1.02 H new ATOM 0 HD13 ILE A 664 8.070 -48.519 -16.521 1.00 1.02 H new