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 -160:sc= 0.551 USER MOD Single : A 536 CYS SG : rot 180:sc= 0 USER MOD Single : A 538 THR OG1 : rot 180:sc= -0.0011 USER MOD Single : A 540 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=-0.0056) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot -59:sc= 0.871 USER MOD Single : A 548 MET CE :methyl 131:sc= -0.442 (180deg=-2.94!) USER MOD Single : A 551 LYS NZ :NH3+ 142:sc= 1.12 (180deg=0.151) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : A 556 SER OG : rot -58:sc= 0.339 USER MOD Single : A 561 THR OG1 : rot 78:sc= 1.23 USER MOD Single : A 568 THR OG1 : rot -100:sc= 0.423 USER MOD Single : A 572 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 574 LYS NZ :NH3+ 179:sc= 1.33 (180deg=1.32) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ 167:sc= 0.826 (180deg=0.439) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 594 THR OG1 : rot -140:sc= 0.00105 USER MOD Single : A 596 LYS NZ :NH3+ -174:sc= 0.18 (180deg=0.147) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -168:sc= 0.793 (180deg=0.573) USER MOD Single : A 613 ASN : amide:sc= -0.0863 K(o=-0.086,f=-3.1!) USER MOD Single : A 622 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.11) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 657 HIS : no HE2:sc= -0.462! C(o=-0.46!,f=-5!) USER MOD Single : A 659 LYS NZ :NH3+ 157:sc= -0.0241 (180deg=-0.23) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.557 -18.288 1.953 1.00 23.14 N ATOM 19 CA ALA A 529 11.324 -19.458 1.554 1.00 54.10 C ATOM 20 C ALA A 529 11.071 -19.742 0.060 1.00 71.51 C ATOM 21 O ALA A 529 10.020 -19.394 -0.480 1.00 51.41 O ATOM 22 CB ALA A 529 10.894 -20.633 2.395 1.00 23.34 C ATOM 0 HA ALA A 529 12.390 -19.284 1.703 1.00 54.10 H new ATOM 0 HB1 ALA A 529 11.463 -21.516 2.104 1.00 23.34 H new ATOM 0 HB2 ALA A 529 11.077 -20.414 3.447 1.00 23.34 H new ATOM 0 HB3 ALA A 529 9.831 -20.820 2.243 1.00 23.34 H new ATOM 28 N GLY A 530 12.040 -20.356 -0.606 1.00 64.10 N ATOM 29 CA GLY A 530 11.933 -20.568 -2.038 1.00 11.01 C ATOM 30 C GLY A 530 10.824 -21.490 -2.504 1.00 42.13 C ATOM 31 O GLY A 530 10.467 -22.449 -1.845 1.00 21.24 O ATOM 0 H GLY A 530 12.897 -20.711 -0.182 1.00 64.10 H new ATOM 0 HA2 GLY A 530 11.795 -19.599 -2.517 1.00 11.01 H new ATOM 0 HA3 GLY A 530 12.882 -20.968 -2.396 1.00 11.01 H new ATOM 35 N ILE A 531 10.334 -21.202 -3.700 1.00 74.40 N ATOM 36 CA ILE A 531 9.375 -22.045 -4.403 1.00 34.03 C ATOM 37 C ILE A 531 10.157 -23.214 -4.973 1.00 24.41 C ATOM 38 O ILE A 531 11.282 -23.016 -5.432 1.00 50.30 O ATOM 39 CB ILE A 531 8.706 -21.245 -5.577 1.00 41.24 C ATOM 40 CG1 ILE A 531 7.503 -20.449 -5.050 1.00 23.45 C ATOM 41 CG2 ILE A 531 8.219 -22.151 -6.683 1.00 13.13 C ATOM 42 CD1 ILE A 531 7.835 -19.093 -4.414 1.00 55.14 C ATOM 0 H ILE A 531 10.595 -20.363 -4.219 1.00 74.40 H new ATOM 0 HA ILE A 531 8.588 -22.380 -3.728 1.00 34.03 H new ATOM 0 HB ILE A 531 9.470 -20.581 -5.980 1.00 41.24 H new ATOM 0 HG12 ILE A 531 6.810 -20.284 -5.875 1.00 23.45 H new ATOM 0 HG13 ILE A 531 6.981 -21.059 -4.312 1.00 23.45 H new ATOM 0 HG21 ILE A 531 7.764 -21.551 -7.471 1.00 13.13 H new ATOM 0 HG22 ILE A 531 9.060 -22.710 -7.092 1.00 13.13 H new ATOM 0 HG23 ILE A 531 7.480 -22.847 -6.285 1.00 13.13 H new ATOM 0 HD11 ILE A 531 6.916 -18.615 -4.076 1.00 55.14 H new ATOM 0 HD12 ILE A 531 8.500 -19.243 -3.564 1.00 55.14 H new ATOM 0 HD13 ILE A 531 8.326 -18.456 -5.150 1.00 55.14 H new ATOM 54 N PHE A 532 9.565 -24.405 -4.974 1.00 13.54 N ATOM 55 CA PHE A 532 10.197 -25.603 -5.538 1.00 50.03 C ATOM 56 C PHE A 532 9.420 -26.113 -6.733 1.00 62.23 C ATOM 57 O PHE A 532 8.187 -26.117 -6.730 1.00 0.34 O ATOM 58 CB PHE A 532 10.253 -26.695 -4.490 1.00 50.33 C ATOM 59 CG PHE A 532 11.148 -26.352 -3.340 1.00 53.42 C ATOM 60 CD1 PHE A 532 10.674 -25.584 -2.265 1.00 13.14 C ATOM 61 CD2 PHE A 532 12.495 -26.754 -3.351 1.00 3.30 C ATOM 62 CE1 PHE A 532 11.539 -25.208 -1.217 1.00 70.05 C ATOM 63 CE2 PHE A 532 13.362 -26.383 -2.304 1.00 2.04 C ATOM 64 CZ PHE A 532 12.886 -25.610 -1.236 1.00 70.33 C ATOM 0 H PHE A 532 8.636 -24.571 -4.586 1.00 13.54 H new ATOM 0 HA PHE A 532 11.204 -25.335 -5.857 1.00 50.03 H new ATOM 0 HB2 PHE A 532 9.247 -26.886 -4.117 1.00 50.33 H new ATOM 0 HB3 PHE A 532 10.602 -27.618 -4.953 1.00 50.33 H new ATOM 0 HD1 PHE A 532 9.638 -25.279 -2.240 1.00 13.14 H new ATOM 0 HD2 PHE A 532 12.869 -27.352 -4.169 1.00 3.30 H new ATOM 0 HE1 PHE A 532 11.166 -24.610 -0.398 1.00 70.05 H new ATOM 0 HE2 PHE A 532 14.396 -26.695 -2.324 1.00 2.04 H new ATOM 0 HZ PHE A 532 13.550 -25.325 -0.433 1.00 70.33 H new ATOM 74 N THR A 533 10.142 -26.521 -7.762 1.00 44.21 N ATOM 75 CA THR A 533 9.532 -26.927 -9.018 1.00 71.22 C ATOM 76 C THR A 533 10.510 -27.855 -9.753 1.00 63.12 C ATOM 77 O THR A 533 11.690 -27.895 -9.415 1.00 65.14 O ATOM 78 CB THR A 533 9.195 -25.651 -9.847 1.00 72.33 C ATOM 79 OG1 THR A 533 8.444 -26.003 -11.007 1.00 5.13 O ATOM 80 CG2 THR A 533 10.423 -24.927 -10.286 1.00 22.11 C ATOM 0 H THR A 533 11.160 -26.580 -7.752 1.00 44.21 H new ATOM 0 HA THR A 533 8.603 -27.473 -8.856 1.00 71.22 H new ATOM 0 HB THR A 533 8.616 -24.996 -9.197 1.00 72.33 H new ATOM 0 HG1 THR A 533 8.507 -25.282 -11.668 1.00 5.13 H new ATOM 0 HG21 THR A 533 10.140 -24.045 -10.860 1.00 22.11 H new ATOM 0 HG22 THR A 533 10.997 -24.622 -9.411 1.00 22.11 H new ATOM 0 HG23 THR A 533 11.031 -25.585 -10.908 1.00 22.11 H new ATOM 88 N PHE A 534 10.023 -28.621 -10.716 1.00 50.41 N ATOM 89 CA PHE A 534 10.858 -29.553 -11.476 1.00 51.35 C ATOM 90 C PHE A 534 11.306 -28.915 -12.784 1.00 54.30 C ATOM 91 O PHE A 534 10.820 -27.853 -13.171 1.00 5.21 O ATOM 92 CB PHE A 534 10.077 -30.836 -11.806 1.00 24.22 C ATOM 93 CG PHE A 534 9.800 -31.731 -10.620 1.00 25.02 C ATOM 94 CD1 PHE A 534 10.273 -31.465 -9.318 1.00 11.54 C ATOM 95 CD2 PHE A 534 9.044 -32.877 -10.836 1.00 61.13 C ATOM 96 CE1 PHE A 534 9.950 -32.341 -8.251 1.00 43.10 C ATOM 97 CE2 PHE A 534 8.722 -33.766 -9.798 1.00 63.15 C ATOM 98 CZ PHE A 534 9.155 -33.501 -8.506 1.00 62.24 C ATOM 0 H PHE A 534 9.042 -28.619 -10.996 1.00 50.41 H new ATOM 0 HA PHE A 534 11.725 -29.798 -10.863 1.00 51.35 H new ATOM 0 HB2 PHE A 534 9.128 -30.559 -12.264 1.00 24.22 H new ATOM 0 HB3 PHE A 534 10.636 -31.404 -12.550 1.00 24.22 H new ATOM 0 HD1 PHE A 534 10.882 -30.593 -9.134 1.00 11.54 H new ATOM 0 HD2 PHE A 534 8.693 -33.091 -11.835 1.00 61.13 H new ATOM 0 HE1 PHE A 534 10.303 -32.133 -7.252 1.00 43.10 H new ATOM 0 HE2 PHE A 534 8.140 -34.652 -10.004 1.00 63.15 H new ATOM 0 HZ PHE A 534 8.893 -34.168 -7.698 1.00 62.24 H new ATOM 108 N GLU A 535 12.244 -29.584 -13.441 1.00 22.13 N ATOM 109 CA GLU A 535 12.812 -29.133 -14.716 1.00 14.32 C ATOM 110 C GLU A 535 11.827 -29.126 -15.888 1.00 22.35 C ATOM 111 O GLU A 535 11.767 -28.165 -16.651 1.00 21.21 O ATOM 112 CB GLU A 535 13.955 -30.076 -15.102 1.00 33.05 C ATOM 113 CG GLU A 535 15.337 -29.625 -14.651 1.00 4.13 C ATOM 114 CD GLU A 535 16.451 -30.314 -15.437 1.00 34.13 C ATOM 115 OE1 GLU A 535 16.903 -31.401 -15.016 1.00 64.21 O ATOM 116 OE2 GLU A 535 16.880 -29.756 -16.466 1.00 70.13 O ATOM 0 H GLU A 535 12.639 -30.463 -13.106 1.00 22.13 H new ATOM 0 HA GLU A 535 13.130 -28.104 -14.550 1.00 14.32 H new ATOM 0 HB2 GLU A 535 13.754 -31.060 -14.679 1.00 33.05 H new ATOM 0 HB3 GLU A 535 13.962 -30.191 -16.186 1.00 33.05 H new ATOM 0 HG2 GLU A 535 15.423 -28.545 -14.772 1.00 4.13 H new ATOM 0 HG3 GLU A 535 15.459 -29.837 -13.589 1.00 4.13 H new ATOM 123 N CYS A 536 11.120 -30.234 -16.065 1.00 42.22 N ATOM 124 CA CYS A 536 10.265 -30.440 -17.233 1.00 22.14 C ATOM 125 C CYS A 536 8.905 -30.944 -16.785 1.00 21.24 C ATOM 126 O CYS A 536 8.732 -31.305 -15.624 1.00 70.52 O ATOM 127 CB CYS A 536 10.906 -31.478 -18.165 1.00 54.01 C ATOM 128 SG CYS A 536 12.538 -31.000 -18.779 1.00 55.22 S ATOM 0 H CYS A 536 11.121 -31.014 -15.408 1.00 42.22 H new ATOM 0 HA CYS A 536 10.149 -29.495 -17.764 1.00 22.14 H new ATOM 0 HB2 CYS A 536 10.992 -32.426 -17.633 1.00 54.01 H new ATOM 0 HB3 CYS A 536 10.244 -31.648 -19.014 1.00 54.01 H new ATOM 0 HG CYS A 536 13.001 -31.935 -19.554 1.00 55.22 H new ATOM 134 N ASP A 537 7.969 -31.029 -17.721 1.00 5.24 N ATOM 135 CA ASP A 537 6.631 -31.541 -17.432 1.00 50.51 C ATOM 136 C ASP A 537 6.454 -32.950 -17.971 1.00 12.15 C ATOM 137 O ASP A 537 5.516 -33.632 -17.603 1.00 73.44 O ATOM 138 CB ASP A 537 5.581 -30.665 -18.107 1.00 2.31 C ATOM 139 CG ASP A 537 5.473 -29.296 -17.478 1.00 21.12 C ATOM 140 OD1 ASP A 537 5.167 -29.203 -16.272 1.00 52.12 O ATOM 141 OD2 ASP A 537 5.708 -28.291 -18.184 1.00 11.04 O ATOM 0 H ASP A 537 8.110 -30.749 -18.692 1.00 5.24 H new ATOM 0 HA ASP A 537 6.511 -31.538 -16.349 1.00 50.51 H new ATOM 0 HB2 ASP A 537 5.828 -30.557 -19.163 1.00 2.31 H new ATOM 0 HB3 ASP A 537 4.612 -31.161 -18.056 1.00 2.31 H new ATOM 146 N THR A 538 7.331 -33.368 -18.874 1.00 55.23 N ATOM 147 CA THR A 538 7.209 -34.639 -19.555 1.00 25.01 C ATOM 148 C THR A 538 8.620 -35.213 -19.739 1.00 65.32 C ATOM 149 O THR A 538 9.548 -34.507 -20.136 1.00 53.23 O ATOM 150 CB THR A 538 6.554 -34.447 -20.927 1.00 62.33 C ATOM 151 OG1 THR A 538 5.382 -33.644 -20.780 1.00 44.44 O ATOM 152 CG2 THR A 538 6.142 -35.775 -21.526 1.00 43.12 C ATOM 0 H THR A 538 8.150 -32.828 -19.152 1.00 55.23 H new ATOM 0 HA THR A 538 6.588 -35.317 -18.969 1.00 25.01 H new ATOM 0 HB THR A 538 7.279 -33.967 -21.584 1.00 62.33 H new ATOM 0 HG1 THR A 538 4.960 -33.517 -21.656 1.00 44.44 H new ATOM 0 HG21 THR A 538 5.680 -35.608 -22.499 1.00 43.12 H new ATOM 0 HG22 THR A 538 7.021 -36.409 -21.646 1.00 43.12 H new ATOM 0 HG23 THR A 538 5.428 -36.266 -20.865 1.00 43.12 H new ATOM 160 N ILE A 539 8.757 -36.481 -19.413 1.00 5.51 N ATOM 161 CA ILE A 539 10.000 -37.254 -19.490 1.00 25.43 C ATOM 162 C ILE A 539 9.636 -38.555 -20.203 1.00 60.55 C ATOM 163 O ILE A 539 8.538 -39.066 -20.033 1.00 72.13 O ATOM 164 CB ILE A 539 10.576 -37.530 -18.017 1.00 45.21 C ATOM 165 CG1 ILE A 539 11.434 -38.783 -17.871 1.00 61.12 C ATOM 166 CG2 ILE A 539 9.508 -37.909 -17.040 1.00 34.11 C ATOM 167 CD1 ILE A 539 12.759 -38.682 -18.210 1.00 44.43 C ATOM 0 H ILE A 539 7.973 -37.036 -19.070 1.00 5.51 H new ATOM 0 HA ILE A 539 10.782 -36.721 -20.031 1.00 25.43 H new ATOM 0 HB ILE A 539 11.105 -36.593 -17.842 1.00 45.21 H new ATOM 0 HG12 ILE A 539 11.376 -39.113 -16.834 1.00 61.12 H new ATOM 0 HG13 ILE A 539 10.989 -39.569 -18.481 1.00 61.12 H new ATOM 0 HG21 ILE A 539 9.955 -38.084 -16.061 1.00 34.11 H new ATOM 0 HG22 ILE A 539 8.779 -37.102 -16.967 1.00 34.11 H new ATOM 0 HG23 ILE A 539 9.011 -38.818 -17.379 1.00 34.11 H new ATOM 0 HD11 ILE A 539 13.248 -39.644 -18.058 1.00 44.43 H new ATOM 0 HD12 ILE A 539 12.846 -38.392 -19.257 1.00 44.43 H new ATOM 0 HD13 ILE A 539 13.238 -37.929 -17.585 1.00 44.43 H new ATOM 179 N HIS A 540 10.560 -39.113 -20.967 1.00 23.34 N ATOM 180 CA HIS A 540 10.395 -40.461 -21.495 1.00 74.34 C ATOM 181 C HIS A 540 11.544 -41.265 -20.915 1.00 15.44 C ATOM 182 O HIS A 540 12.700 -40.890 -21.094 1.00 42.33 O ATOM 183 CB HIS A 540 10.451 -40.495 -23.025 1.00 22.14 C ATOM 184 CG HIS A 540 9.143 -40.186 -23.686 1.00 75.11 C ATOM 185 ND1 HIS A 540 8.410 -41.128 -24.410 1.00 44.52 N ATOM 186 CD2 HIS A 540 8.400 -39.047 -23.757 1.00 62.42 C ATOM 187 CE1 HIS A 540 7.319 -40.550 -24.887 1.00 62.32 C ATOM 188 NE2 HIS A 540 7.288 -39.304 -24.501 1.00 21.33 N ATOM 0 H HIS A 540 11.431 -38.656 -21.236 1.00 23.34 H new ATOM 0 HA HIS A 540 9.419 -40.862 -21.221 1.00 74.34 H new ATOM 0 HB2 HIS A 540 11.198 -39.779 -23.368 1.00 22.14 H new ATOM 0 HB3 HIS A 540 10.785 -41.482 -23.345 1.00 22.14 H new ATOM 0 HD2 HIS A 540 8.650 -38.100 -23.301 1.00 62.42 H new ATOM 0 HE1 HIS A 540 6.572 -41.034 -25.499 1.00 62.32 H new ATOM 0 HE2 HIS A 540 6.552 -38.633 -24.720 1.00 21.33 H new ATOM 196 N VAL A 541 11.229 -42.335 -20.210 1.00 33.52 N ATOM 197 CA VAL A 541 12.250 -43.270 -19.719 1.00 61.13 C ATOM 198 C VAL A 541 11.967 -44.610 -20.352 1.00 53.32 C ATOM 199 O VAL A 541 10.924 -44.799 -20.930 1.00 3.24 O ATOM 200 CB VAL A 541 12.243 -43.446 -18.162 1.00 22.40 C ATOM 201 CG1 VAL A 541 12.674 -42.183 -17.487 1.00 71.30 C ATOM 202 CG2 VAL A 541 10.857 -43.861 -17.635 1.00 20.40 C ATOM 0 H VAL A 541 10.273 -42.588 -19.958 1.00 33.52 H new ATOM 0 HA VAL A 541 13.228 -42.869 -19.984 1.00 61.13 H new ATOM 0 HB VAL A 541 12.948 -44.244 -17.930 1.00 22.40 H new ATOM 0 HG11 VAL A 541 12.662 -42.326 -16.406 1.00 71.30 H new ATOM 0 HG12 VAL A 541 13.683 -41.925 -17.808 1.00 71.30 H new ATOM 0 HG13 VAL A 541 11.991 -41.377 -17.754 1.00 71.30 H new ATOM 0 HG21 VAL A 541 10.898 -43.972 -16.551 1.00 20.40 H new ATOM 0 HG22 VAL A 541 10.125 -43.096 -17.894 1.00 20.40 H new ATOM 0 HG23 VAL A 541 10.565 -44.810 -18.086 1.00 20.40 H new ATOM 212 N SER A 542 12.877 -45.544 -20.180 1.00 53.41 N ATOM 213 CA SER A 542 12.674 -46.930 -20.580 1.00 61.54 C ATOM 214 C SER A 542 12.850 -47.657 -19.265 1.00 31.32 C ATOM 215 O SER A 542 13.430 -47.088 -18.355 1.00 32.34 O ATOM 216 CB SER A 542 13.735 -47.359 -21.596 1.00 42.42 C ATOM 217 OG SER A 542 13.742 -46.476 -22.710 1.00 53.12 O ATOM 0 H SER A 542 13.788 -45.367 -19.756 1.00 53.41 H new ATOM 0 HA SER A 542 11.717 -47.122 -21.064 1.00 61.54 H new ATOM 0 HB2 SER A 542 14.717 -47.366 -21.124 1.00 42.42 H new ATOM 0 HB3 SER A 542 13.535 -48.377 -21.932 1.00 42.42 H new ATOM 0 HG SER A 542 14.427 -46.762 -23.350 1.00 53.12 H new ATOM 223 N GLU A 543 12.389 -48.886 -19.138 1.00 72.11 N ATOM 224 CA GLU A 543 12.584 -49.658 -17.898 1.00 4.45 C ATOM 225 C GLU A 543 14.073 -49.899 -17.688 1.00 52.41 C ATOM 226 O GLU A 543 14.579 -49.915 -16.565 1.00 72.30 O ATOM 227 CB GLU A 543 11.868 -51.022 -17.950 1.00 23.35 C ATOM 228 CG GLU A 543 11.231 -51.391 -19.293 1.00 51.15 C ATOM 229 CD GLU A 543 12.243 -51.430 -20.445 1.00 55.53 C ATOM 230 OE1 GLU A 543 13.284 -52.110 -20.341 1.00 1.15 O ATOM 231 OE2 GLU A 543 12.083 -50.592 -21.359 1.00 4.15 O ATOM 0 H GLU A 543 11.877 -49.381 -19.868 1.00 72.11 H new ATOM 0 HA GLU A 543 12.160 -49.080 -17.077 1.00 4.45 H new ATOM 0 HB2 GLU A 543 12.586 -51.798 -17.685 1.00 23.35 H new ATOM 0 HB3 GLU A 543 11.091 -51.032 -17.186 1.00 23.35 H new ATOM 0 HG2 GLU A 543 10.750 -52.365 -19.206 1.00 51.15 H new ATOM 0 HG3 GLU A 543 10.448 -50.670 -19.528 1.00 51.15 H new ATOM 238 N SER A 544 14.766 -50.012 -18.807 1.00 41.13 N ATOM 239 CA SER A 544 16.193 -50.291 -18.868 1.00 30.40 C ATOM 240 C SER A 544 17.054 -49.198 -18.248 1.00 11.24 C ATOM 241 O SER A 544 18.254 -49.375 -18.049 1.00 40.43 O ATOM 242 CB SER A 544 16.566 -50.454 -20.336 1.00 72.15 C ATOM 243 OG SER A 544 15.393 -50.414 -21.139 1.00 64.02 O ATOM 0 H SER A 544 14.340 -49.909 -19.728 1.00 41.13 H new ATOM 0 HA SER A 544 16.385 -51.194 -18.289 1.00 30.40 H new ATOM 0 HB2 SER A 544 17.251 -49.661 -20.637 1.00 72.15 H new ATOM 0 HB3 SER A 544 17.088 -51.399 -20.485 1.00 72.15 H new ATOM 0 HG SER A 544 14.786 -51.134 -20.868 1.00 64.02 H new ATOM 249 N ILE A 545 16.439 -48.070 -17.924 1.00 63.15 N ATOM 250 CA ILE A 545 17.132 -46.985 -17.253 1.00 34.51 C ATOM 251 C ILE A 545 17.492 -47.399 -15.821 1.00 44.41 C ATOM 252 O ILE A 545 18.430 -46.863 -15.220 1.00 55.12 O ATOM 253 CB ILE A 545 16.240 -45.718 -17.219 1.00 72.30 C ATOM 254 CG1 ILE A 545 17.112 -44.484 -16.970 1.00 32.30 C ATOM 255 CG2 ILE A 545 15.097 -45.861 -16.162 1.00 15.22 C ATOM 256 CD1 ILE A 545 16.332 -43.247 -16.717 1.00 55.32 C ATOM 0 H ILE A 545 15.455 -47.884 -18.117 1.00 63.15 H new ATOM 0 HA ILE A 545 18.046 -46.762 -17.804 1.00 34.51 H new ATOM 0 HB ILE A 545 15.750 -45.596 -18.185 1.00 72.30 H new ATOM 0 HG12 ILE A 545 17.762 -44.675 -16.116 1.00 32.30 H new ATOM 0 HG13 ILE A 545 17.758 -44.326 -17.833 1.00 32.30 H new ATOM 0 HG21 ILE A 545 14.488 -44.957 -16.161 1.00 15.22 H new ATOM 0 HG22 ILE A 545 14.473 -46.719 -16.414 1.00 15.22 H new ATOM 0 HG23 ILE A 545 15.532 -46.007 -15.173 1.00 15.22 H new ATOM 0 HD11 ILE A 545 17.015 -42.414 -16.549 1.00 55.32 H new ATOM 0 HD12 ILE A 545 15.702 -43.031 -17.580 1.00 55.32 H new ATOM 0 HD13 ILE A 545 15.706 -43.386 -15.836 1.00 55.32 H new ATOM 268 N GLY A 546 16.734 -48.331 -15.259 1.00 24.14 N ATOM 269 CA GLY A 546 16.975 -48.751 -13.897 1.00 13.31 C ATOM 270 C GLY A 546 16.254 -47.864 -12.914 1.00 61.31 C ATOM 271 O GLY A 546 15.357 -48.295 -12.205 1.00 31.03 O ATOM 0 H GLY A 546 15.958 -48.802 -15.723 1.00 24.14 H new ATOM 0 HA2 GLY A 546 16.646 -49.782 -13.769 1.00 13.31 H new ATOM 0 HA3 GLY A 546 18.045 -48.730 -13.692 1.00 13.31 H new ATOM 275 N VAL A 547 16.654 -46.606 -12.858 1.00 1.12 N ATOM 276 CA VAL A 547 16.043 -45.656 -11.939 1.00 54.13 C ATOM 277 C VAL A 547 15.972 -44.274 -12.585 1.00 1.34 C ATOM 278 O VAL A 547 16.962 -43.736 -13.076 1.00 51.24 O ATOM 279 CB VAL A 547 16.792 -45.648 -10.559 1.00 62.04 C ATOM 280 CG1 VAL A 547 18.307 -45.589 -10.729 1.00 65.21 C ATOM 281 CG2 VAL A 547 16.330 -44.508 -9.679 1.00 55.13 C ATOM 0 H VAL A 547 17.398 -46.217 -13.437 1.00 1.12 H new ATOM 0 HA VAL A 547 15.020 -45.966 -11.728 1.00 54.13 H new ATOM 0 HB VAL A 547 16.540 -46.589 -10.071 1.00 62.04 H new ATOM 0 HG11 VAL A 547 18.783 -45.585 -9.749 1.00 65.21 H new ATOM 0 HG12 VAL A 547 18.644 -46.459 -11.293 1.00 65.21 H new ATOM 0 HG13 VAL A 547 18.578 -44.681 -11.267 1.00 65.21 H new ATOM 0 HG21 VAL A 547 16.871 -44.536 -8.733 1.00 55.13 H new ATOM 0 HG22 VAL A 547 16.524 -43.560 -10.180 1.00 55.13 H new ATOM 0 HG23 VAL A 547 15.261 -44.605 -9.489 1.00 55.13 H new ATOM 291 N MET A 548 14.769 -43.727 -12.615 1.00 35.13 N ATOM 292 CA MET A 548 14.515 -42.418 -13.194 1.00 55.44 C ATOM 293 C MET A 548 14.863 -41.338 -12.185 1.00 55.13 C ATOM 294 O MET A 548 14.833 -41.584 -10.974 1.00 52.34 O ATOM 295 CB MET A 548 13.062 -42.308 -13.651 1.00 41.45 C ATOM 296 CG MET A 548 12.062 -41.888 -12.578 1.00 63.34 C ATOM 297 SD MET A 548 11.885 -40.119 -12.435 1.00 62.10 S ATOM 298 CE MET A 548 11.171 -39.769 -14.061 1.00 24.12 C ATOM 0 H MET A 548 13.937 -44.180 -12.237 1.00 35.13 H new ATOM 0 HA MET A 548 15.145 -42.283 -14.073 1.00 55.44 H new ATOM 0 HB2 MET A 548 13.011 -41.591 -14.470 1.00 41.45 H new ATOM 0 HB3 MET A 548 12.752 -43.273 -14.053 1.00 41.45 H new ATOM 0 HG2 MET A 548 11.090 -42.327 -12.805 1.00 63.34 H new ATOM 0 HG3 MET A 548 12.378 -42.294 -11.617 1.00 63.34 H new ATOM 0 HE1 MET A 548 10.291 -39.137 -13.943 1.00 24.12 H new ATOM 0 HE2 MET A 548 11.907 -39.254 -14.678 1.00 24.12 H new ATOM 0 HE3 MET A 548 10.885 -40.704 -14.542 1.00 24.12 H new ATOM 308 N GLU A 549 15.211 -40.159 -12.672 1.00 63.14 N ATOM 309 CA GLU A 549 15.522 -39.036 -11.804 1.00 4.13 C ATOM 310 C GLU A 549 14.875 -37.762 -12.299 1.00 62.35 C ATOM 311 O GLU A 549 14.922 -37.455 -13.490 1.00 73.45 O ATOM 312 CB GLU A 549 17.026 -38.779 -11.701 1.00 33.32 C ATOM 313 CG GLU A 549 17.508 -38.647 -10.290 1.00 12.20 C ATOM 314 CD GLU A 549 19.001 -38.378 -10.212 1.00 23.12 C ATOM 315 OE1 GLU A 549 19.555 -37.786 -11.173 1.00 0.35 O ATOM 316 OE2 GLU A 549 19.603 -38.669 -9.156 1.00 4.40 O ATOM 0 H GLU A 549 15.285 -39.954 -13.668 1.00 63.14 H new ATOM 0 HA GLU A 549 15.131 -39.308 -10.823 1.00 4.13 H new ATOM 0 HB2 GLU A 549 17.561 -39.595 -12.186 1.00 33.32 H new ATOM 0 HB3 GLU A 549 17.270 -37.868 -12.248 1.00 33.32 H new ATOM 0 HG2 GLU A 549 16.969 -37.837 -9.799 1.00 12.20 H new ATOM 0 HG3 GLU A 549 17.277 -39.561 -9.743 1.00 12.20 H new ATOM 323 N VAL A 550 14.359 -36.974 -11.370 1.00 41.12 N ATOM 324 CA VAL A 550 13.893 -35.625 -11.682 1.00 72.41 C ATOM 325 C VAL A 550 14.777 -34.707 -10.894 1.00 34.31 C ATOM 326 O VAL A 550 15.157 -35.020 -9.770 1.00 74.14 O ATOM 327 CB VAL A 550 12.389 -35.378 -11.321 1.00 52.34 C ATOM 328 CG1 VAL A 550 11.645 -36.669 -11.297 1.00 73.32 C ATOM 329 CG2 VAL A 550 12.206 -34.649 -9.982 1.00 71.33 C ATOM 0 H VAL A 550 14.251 -37.242 -10.392 1.00 41.12 H new ATOM 0 HA VAL A 550 13.950 -35.455 -12.757 1.00 72.41 H new ATOM 0 HB VAL A 550 11.985 -34.729 -12.098 1.00 52.34 H new ATOM 0 HG11 VAL A 550 10.601 -36.483 -11.045 1.00 73.32 H new ATOM 0 HG12 VAL A 550 11.703 -37.140 -12.278 1.00 73.32 H new ATOM 0 HG13 VAL A 550 12.086 -37.329 -10.551 1.00 73.32 H new ATOM 0 HG21 VAL A 550 11.143 -34.507 -9.787 1.00 71.33 H new ATOM 0 HG22 VAL A 550 12.645 -35.244 -9.181 1.00 71.33 H new ATOM 0 HG23 VAL A 550 12.700 -33.678 -10.026 1.00 71.33 H new ATOM 339 N LYS A 551 15.109 -33.577 -11.478 1.00 21.31 N ATOM 340 CA LYS A 551 15.892 -32.565 -10.787 1.00 44.04 C ATOM 341 C LYS A 551 14.893 -31.578 -10.224 1.00 73.42 C ATOM 342 O LYS A 551 14.008 -31.101 -10.935 1.00 62.05 O ATOM 343 CB LYS A 551 16.854 -31.862 -11.749 1.00 20.23 C ATOM 344 CG LYS A 551 18.200 -32.587 -11.994 1.00 24.33 C ATOM 345 CD LYS A 551 18.055 -33.949 -12.704 1.00 21.30 C ATOM 346 CE LYS A 551 19.419 -34.599 -12.929 1.00 63.24 C ATOM 347 NZ LYS A 551 19.291 -36.025 -13.400 1.00 75.21 N ATOM 0 H LYS A 551 14.850 -33.331 -12.433 1.00 21.31 H new ATOM 0 HA LYS A 551 16.504 -33.011 -10.003 1.00 44.04 H new ATOM 0 HB2 LYS A 551 16.351 -31.732 -12.707 1.00 20.23 H new ATOM 0 HB3 LYS A 551 17.064 -30.865 -11.362 1.00 20.23 H new ATOM 0 HG2 LYS A 551 18.845 -31.943 -12.592 1.00 24.33 H new ATOM 0 HG3 LYS A 551 18.700 -32.738 -11.037 1.00 24.33 H new ATOM 0 HD2 LYS A 551 17.428 -34.610 -12.105 1.00 21.30 H new ATOM 0 HD3 LYS A 551 17.551 -33.812 -13.661 1.00 21.30 H new ATOM 0 HE2 LYS A 551 19.979 -34.022 -13.665 1.00 63.24 H new ATOM 0 HE3 LYS A 551 19.991 -34.573 -12.002 1.00 63.24 H new ATOM 0 HZ1 LYS A 551 20.027 -36.224 -14.107 1.00 75.21 H new ATOM 0 HZ2 LYS A 551 19.404 -36.669 -12.591 1.00 75.21 H new ATOM 0 HZ3 LYS A 551 18.353 -36.167 -13.827 1.00 75.21 H new ATOM 361 N VAL A 552 15.020 -31.306 -8.939 1.00 54.12 N ATOM 362 CA VAL A 552 14.157 -30.357 -8.251 1.00 54.54 C ATOM 363 C VAL A 552 14.933 -29.060 -8.045 1.00 62.33 C ATOM 364 O VAL A 552 15.991 -29.049 -7.404 1.00 74.33 O ATOM 365 CB VAL A 552 13.711 -30.882 -6.865 1.00 21.22 C ATOM 366 CG1 VAL A 552 12.491 -30.086 -6.379 1.00 13.52 C ATOM 367 CG2 VAL A 552 13.384 -32.394 -6.918 1.00 2.20 C ATOM 0 H VAL A 552 15.724 -31.736 -8.340 1.00 54.12 H new ATOM 0 HA VAL A 552 13.267 -30.203 -8.861 1.00 54.54 H new ATOM 0 HB VAL A 552 14.533 -30.745 -6.162 1.00 21.22 H new ATOM 0 HG11 VAL A 552 12.179 -30.458 -5.403 1.00 13.52 H new ATOM 0 HG12 VAL A 552 12.753 -29.031 -6.299 1.00 13.52 H new ATOM 0 HG13 VAL A 552 11.673 -30.203 -7.090 1.00 13.52 H new ATOM 0 HG21 VAL A 552 13.074 -32.734 -5.930 1.00 2.20 H new ATOM 0 HG22 VAL A 552 12.578 -32.567 -7.631 1.00 2.20 H new ATOM 0 HG23 VAL A 552 14.270 -32.947 -7.230 1.00 2.20 H new ATOM 377 N LEU A 553 14.424 -27.987 -8.626 1.00 52.24 N ATOM 378 CA LEU A 553 15.040 -26.676 -8.565 1.00 22.33 C ATOM 379 C LEU A 553 14.247 -25.807 -7.611 1.00 42.23 C ATOM 380 O LEU A 553 13.075 -26.078 -7.331 1.00 42.13 O ATOM 381 CB LEU A 553 15.012 -26.005 -9.939 1.00 22.14 C ATOM 382 CG LEU A 553 15.455 -26.781 -11.188 1.00 75.33 C ATOM 383 CD1 LEU A 553 16.754 -27.582 -11.000 1.00 61.41 C ATOM 384 CD2 LEU A 553 14.352 -27.669 -11.699 1.00 3.21 C ATOM 0 H LEU A 553 13.556 -28.005 -9.162 1.00 52.24 H new ATOM 0 HA LEU A 553 16.072 -26.792 -8.233 1.00 22.33 H new ATOM 0 HB2 LEU A 553 13.990 -25.669 -10.113 1.00 22.14 H new ATOM 0 HB3 LEU A 553 15.635 -25.113 -9.875 1.00 22.14 H new ATOM 0 HG LEU A 553 15.677 -26.020 -11.937 1.00 75.33 H new ATOM 0 HD11 LEU A 553 16.999 -28.101 -11.927 1.00 61.41 H new ATOM 0 HD12 LEU A 553 17.566 -26.903 -10.739 1.00 61.41 H new ATOM 0 HD13 LEU A 553 16.620 -28.311 -10.200 1.00 61.41 H new ATOM 0 HD21 LEU A 553 14.697 -28.205 -12.583 1.00 3.21 H new ATOM 0 HD22 LEU A 553 14.074 -28.385 -10.926 1.00 3.21 H new ATOM 0 HD23 LEU A 553 13.486 -27.061 -11.958 1.00 3.21 H new ATOM 396 N ARG A 554 14.866 -24.734 -7.151 1.00 52.31 N ATOM 397 CA ARG A 554 14.209 -23.782 -6.280 1.00 11.21 C ATOM 398 C ARG A 554 14.463 -22.362 -6.815 1.00 62.31 C ATOM 399 O ARG A 554 15.525 -22.095 -7.375 1.00 55.24 O ATOM 400 CB ARG A 554 14.730 -24.021 -4.846 1.00 24.52 C ATOM 401 CG ARG A 554 14.596 -22.859 -3.870 1.00 42.41 C ATOM 402 CD ARG A 554 15.933 -22.156 -3.647 1.00 1.24 C ATOM 403 NE ARG A 554 16.756 -22.053 -4.875 1.00 34.14 N ATOM 404 CZ ARG A 554 17.921 -21.432 -5.010 1.00 61.42 C ATOM 405 NH1 ARG A 554 18.526 -20.816 -4.030 1.00 3.24 N ATOM 406 NH2 ARG A 554 18.490 -21.437 -6.182 1.00 15.13 N ATOM 0 H ARG A 554 15.834 -24.501 -7.371 1.00 52.31 H new ATOM 0 HA ARG A 554 13.126 -23.907 -6.257 1.00 11.21 H new ATOM 0 HB2 ARG A 554 14.201 -24.878 -4.430 1.00 24.52 H new ATOM 0 HB3 ARG A 554 15.783 -24.295 -4.907 1.00 24.52 H new ATOM 0 HG2 ARG A 554 13.868 -22.144 -4.252 1.00 42.41 H new ATOM 0 HG3 ARG A 554 14.213 -23.225 -2.917 1.00 42.41 H new ATOM 0 HD2 ARG A 554 15.748 -21.155 -3.257 1.00 1.24 H new ATOM 0 HD3 ARG A 554 16.496 -22.695 -2.885 1.00 1.24 H new ATOM 0 HE ARG A 554 16.386 -22.510 -5.709 1.00 34.14 H new ATOM 0 HH11 ARG A 554 18.103 -20.796 -3.102 1.00 3.24 H new ATOM 0 HH12 ARG A 554 19.421 -20.355 -4.193 1.00 3.24 H new ATOM 0 HH21 ARG A 554 18.040 -21.910 -6.966 1.00 15.13 H new ATOM 0 HH22 ARG A 554 19.386 -20.968 -6.316 1.00 15.13 H new ATOM 420 N THR A 555 13.495 -21.473 -6.640 1.00 73.51 N ATOM 421 CA THR A 555 13.612 -20.054 -7.055 1.00 2.25 C ATOM 422 C THR A 555 14.606 -19.270 -6.198 1.00 64.23 C ATOM 423 O THR A 555 15.093 -19.777 -5.213 1.00 24.23 O ATOM 424 CB THR A 555 12.230 -19.335 -7.017 1.00 1.40 C ATOM 425 OG1 THR A 555 12.278 -18.165 -7.838 1.00 62.22 O ATOM 426 CG2 THR A 555 11.848 -18.900 -5.598 1.00 15.05 C ATOM 0 H THR A 555 12.600 -21.701 -6.207 1.00 73.51 H new ATOM 0 HA THR A 555 13.986 -20.075 -8.079 1.00 2.25 H new ATOM 0 HB THR A 555 11.486 -20.045 -7.380 1.00 1.40 H new ATOM 0 HG1 THR A 555 11.408 -17.714 -7.816 1.00 62.22 H new ATOM 0 HG21 THR A 555 10.878 -18.403 -5.618 1.00 15.05 H new ATOM 0 HG22 THR A 555 11.794 -19.776 -4.951 1.00 15.05 H new ATOM 0 HG23 THR A 555 12.600 -18.211 -5.214 1.00 15.05 H new ATOM 434 N SER A 556 14.877 -18.017 -6.544 1.00 41.41 N ATOM 435 CA SER A 556 15.813 -17.163 -5.785 1.00 31.31 C ATOM 436 C SER A 556 15.280 -16.715 -4.399 1.00 45.35 C ATOM 437 O SER A 556 15.493 -15.584 -3.975 1.00 61.43 O ATOM 438 CB SER A 556 16.163 -15.929 -6.623 1.00 42.14 C ATOM 439 OG SER A 556 17.278 -15.245 -6.083 1.00 25.33 O ATOM 0 H SER A 556 14.461 -17.556 -7.354 1.00 41.41 H new ATOM 0 HA SER A 556 16.696 -17.771 -5.588 1.00 31.31 H new ATOM 0 HB2 SER A 556 16.379 -16.231 -7.648 1.00 42.14 H new ATOM 0 HB3 SER A 556 15.305 -15.258 -6.663 1.00 42.14 H new ATOM 0 HG SER A 556 17.082 -14.976 -5.161 1.00 25.33 H new ATOM 445 N GLY A 557 14.582 -17.611 -3.715 1.00 5.34 N ATOM 446 CA GLY A 557 14.022 -17.340 -2.398 1.00 61.35 C ATOM 447 C GLY A 557 14.625 -18.164 -1.268 1.00 25.24 C ATOM 448 O GLY A 557 14.012 -18.309 -0.234 1.00 24.34 O ATOM 0 H GLY A 557 14.387 -18.551 -4.060 1.00 5.34 H new ATOM 0 HA2 GLY A 557 14.158 -16.283 -2.171 1.00 61.35 H new ATOM 0 HA3 GLY A 557 12.948 -17.523 -2.430 1.00 61.35 H new ATOM 452 N ALA A 558 15.787 -18.778 -1.452 1.00 73.32 N ATOM 453 CA ALA A 558 16.324 -19.648 -0.395 1.00 21.41 C ATOM 454 C ALA A 558 16.710 -18.888 0.864 1.00 23.34 C ATOM 455 O ALA A 558 17.713 -18.165 0.898 1.00 4.13 O ATOM 456 CB ALA A 558 17.495 -20.427 -0.882 1.00 10.12 C ATOM 0 H ALA A 558 16.364 -18.700 -2.289 1.00 73.32 H new ATOM 0 HA ALA A 558 15.514 -20.329 -0.134 1.00 21.41 H new ATOM 0 HB1 ALA A 558 17.870 -21.061 -0.078 1.00 10.12 H new ATOM 0 HB2 ALA A 558 17.193 -21.050 -1.724 1.00 10.12 H new ATOM 0 HB3 ALA A 558 18.281 -19.742 -1.201 1.00 10.12 H new ATOM 462 N ARG A 559 15.931 -19.084 1.909 1.00 31.25 N ATOM 463 CA ARG A 559 16.175 -18.451 3.191 1.00 22.35 C ATOM 464 C ARG A 559 16.130 -19.541 4.253 1.00 30.22 C ATOM 465 O ARG A 559 15.071 -19.849 4.771 1.00 1.34 O ATOM 466 CB ARG A 559 15.095 -17.376 3.438 1.00 34.14 C ATOM 467 CG ARG A 559 14.948 -16.304 2.309 1.00 32.21 C ATOM 468 CD ARG A 559 15.936 -15.152 2.452 1.00 44.42 C ATOM 469 NE ARG A 559 17.324 -15.555 2.178 1.00 43.35 N ATOM 470 CZ ARG A 559 18.394 -14.786 2.350 1.00 40.10 C ATOM 471 NH1 ARG A 559 18.310 -13.547 2.771 1.00 51.32 N ATOM 472 NH2 ARG A 559 19.571 -15.283 2.092 1.00 14.22 N ATOM 0 H ARG A 559 15.109 -19.688 1.894 1.00 31.25 H new ATOM 0 HA ARG A 559 17.146 -17.957 3.220 1.00 22.35 H new ATOM 0 HB2 ARG A 559 14.134 -17.874 3.571 1.00 34.14 H new ATOM 0 HB3 ARG A 559 15.322 -16.865 4.374 1.00 34.14 H new ATOM 0 HG2 ARG A 559 15.093 -16.782 1.340 1.00 32.21 H new ATOM 0 HG3 ARG A 559 13.932 -15.908 2.321 1.00 32.21 H new ATOM 0 HD2 ARG A 559 15.654 -14.350 1.770 1.00 44.42 H new ATOM 0 HD3 ARG A 559 15.872 -14.748 3.462 1.00 44.42 H new ATOM 0 HE ARG A 559 17.477 -16.501 1.828 1.00 43.35 H new ATOM 0 HH11 ARG A 559 17.398 -13.140 2.980 1.00 51.32 H new ATOM 0 HH12 ARG A 559 19.156 -12.990 2.890 1.00 51.32 H new ATOM 0 HH21 ARG A 559 19.658 -16.245 1.765 1.00 14.22 H new ATOM 0 HH22 ARG A 559 20.405 -14.710 2.217 1.00 14.22 H new ATOM 486 N GLY A 560 17.264 -20.162 4.530 1.00 64.25 N ATOM 487 CA GLY A 560 17.294 -21.245 5.497 1.00 2.21 C ATOM 488 C GLY A 560 17.115 -22.594 4.840 1.00 41.42 C ATOM 489 O GLY A 560 17.383 -22.752 3.643 1.00 12.12 O ATOM 0 H GLY A 560 18.164 -19.939 4.106 1.00 64.25 H new ATOM 0 HA2 GLY A 560 18.242 -21.226 6.034 1.00 2.21 H new ATOM 0 HA3 GLY A 560 16.507 -21.094 6.236 1.00 2.21 H new ATOM 493 N THR A 561 16.676 -23.556 5.630 1.00 4.11 N ATOM 494 CA THR A 561 16.523 -24.938 5.207 1.00 2.54 C ATOM 495 C THR A 561 15.057 -25.298 5.173 1.00 4.11 C ATOM 496 O THR A 561 14.292 -24.995 6.068 1.00 63.14 O ATOM 497 CB THR A 561 17.265 -25.898 6.168 1.00 72.40 C ATOM 498 OG1 THR A 561 18.659 -25.573 6.170 1.00 2.02 O ATOM 499 CG2 THR A 561 17.101 -27.333 5.783 1.00 62.45 C ATOM 0 H THR A 561 16.410 -23.397 6.602 1.00 4.11 H new ATOM 0 HA THR A 561 16.955 -25.041 4.212 1.00 2.54 H new ATOM 0 HB THR A 561 16.830 -25.771 7.159 1.00 72.40 H new ATOM 0 HG1 THR A 561 18.809 -24.780 6.726 1.00 2.02 H new ATOM 0 HG21 THR A 561 17.641 -27.963 6.490 1.00 62.45 H new ATOM 0 HG22 THR A 561 16.043 -27.595 5.798 1.00 62.45 H new ATOM 0 HG23 THR A 561 17.499 -27.488 4.780 1.00 62.45 H new ATOM 507 N VAL A 562 14.695 -25.940 4.095 1.00 74.13 N ATOM 508 CA VAL A 562 13.342 -26.410 3.814 1.00 52.44 C ATOM 509 C VAL A 562 13.439 -27.904 3.492 1.00 42.04 C ATOM 510 O VAL A 562 14.347 -28.324 2.795 1.00 1.22 O ATOM 511 CB VAL A 562 12.758 -25.650 2.586 1.00 41.10 C ATOM 512 CG1 VAL A 562 11.421 -26.241 2.141 1.00 73.41 C ATOM 513 CG2 VAL A 562 12.585 -24.159 2.892 1.00 14.10 C ATOM 0 H VAL A 562 15.354 -26.165 3.350 1.00 74.13 H new ATOM 0 HA VAL A 562 12.689 -26.234 4.669 1.00 52.44 H new ATOM 0 HB VAL A 562 13.474 -25.765 1.772 1.00 41.10 H new ATOM 0 HG11 VAL A 562 11.045 -25.685 1.282 1.00 73.41 H new ATOM 0 HG12 VAL A 562 11.559 -27.286 1.864 1.00 73.41 H new ATOM 0 HG13 VAL A 562 10.704 -26.174 2.959 1.00 73.41 H new ATOM 0 HG21 VAL A 562 12.176 -23.653 2.017 1.00 14.10 H new ATOM 0 HG22 VAL A 562 11.903 -24.037 3.734 1.00 14.10 H new ATOM 0 HG23 VAL A 562 13.553 -23.724 3.143 1.00 14.10 H new ATOM 523 N ILE A 563 12.495 -28.695 3.976 1.00 20.51 N ATOM 524 CA ILE A 563 12.433 -30.112 3.651 1.00 43.14 C ATOM 525 C ILE A 563 11.238 -30.283 2.702 1.00 55.14 C ATOM 526 O ILE A 563 10.213 -29.612 2.871 1.00 2.04 O ATOM 527 CB ILE A 563 12.320 -30.983 4.944 1.00 72.14 C ATOM 528 CG1 ILE A 563 13.059 -32.307 4.749 1.00 14.40 C ATOM 529 CG2 ILE A 563 10.857 -31.262 5.345 1.00 21.04 C ATOM 530 CD1 ILE A 563 13.569 -32.900 6.038 1.00 44.21 C ATOM 0 H ILE A 563 11.755 -28.376 4.601 1.00 20.51 H new ATOM 0 HA ILE A 563 13.345 -30.456 3.163 1.00 43.14 H new ATOM 0 HB ILE A 563 12.777 -30.413 5.753 1.00 72.14 H new ATOM 0 HG12 ILE A 563 12.390 -33.021 4.268 1.00 14.40 H new ATOM 0 HG13 ILE A 563 13.899 -32.150 4.072 1.00 14.40 H new ATOM 0 HG21 ILE A 563 10.837 -31.871 6.249 1.00 21.04 H new ATOM 0 HG22 ILE A 563 10.345 -30.318 5.532 1.00 21.04 H new ATOM 0 HG23 ILE A 563 10.354 -31.795 4.538 1.00 21.04 H new ATOM 0 HD11 ILE A 563 14.083 -33.838 5.829 1.00 44.21 H new ATOM 0 HD12 ILE A 563 14.262 -32.204 6.510 1.00 44.21 H new ATOM 0 HD13 ILE A 563 12.731 -33.088 6.709 1.00 44.21 H new ATOM 542 N VAL A 564 11.371 -31.109 1.672 1.00 15.51 N ATOM 543 CA VAL A 564 10.277 -31.297 0.706 1.00 62.42 C ATOM 544 C VAL A 564 10.025 -32.777 0.374 1.00 2.53 C ATOM 545 O VAL A 564 10.860 -33.426 -0.258 1.00 41.31 O ATOM 546 CB VAL A 564 10.546 -30.564 -0.646 1.00 0.03 C ATOM 547 CG1 VAL A 564 9.267 -30.565 -1.511 1.00 65.41 C ATOM 548 CG2 VAL A 564 11.009 -29.122 -0.408 1.00 34.35 C ATOM 0 H VAL A 564 12.210 -31.656 1.478 1.00 15.51 H new ATOM 0 HA VAL A 564 9.403 -30.872 1.200 1.00 62.42 H new ATOM 0 HB VAL A 564 11.339 -31.098 -1.169 1.00 0.03 H new ATOM 0 HG11 VAL A 564 9.464 -30.052 -2.452 1.00 65.41 H new ATOM 0 HG12 VAL A 564 8.966 -31.593 -1.714 1.00 65.41 H new ATOM 0 HG13 VAL A 564 8.467 -30.051 -0.978 1.00 65.41 H new ATOM 0 HG21 VAL A 564 11.189 -28.635 -1.366 1.00 34.35 H new ATOM 0 HG22 VAL A 564 10.238 -28.577 0.137 1.00 34.35 H new ATOM 0 HG23 VAL A 564 11.930 -29.127 0.175 1.00 34.35 H new ATOM 558 N PRO A 565 8.866 -33.323 0.778 1.00 71.44 N ATOM 559 CA PRO A 565 8.520 -34.686 0.361 1.00 22.44 C ATOM 560 C PRO A 565 8.110 -34.833 -1.077 1.00 63.13 C ATOM 561 O PRO A 565 7.591 -33.903 -1.683 1.00 72.24 O ATOM 562 CB PRO A 565 7.314 -35.022 1.253 1.00 40.31 C ATOM 563 CG PRO A 565 6.710 -33.725 1.559 1.00 44.42 C ATOM 564 CD PRO A 565 7.814 -32.732 1.621 1.00 3.33 C ATOM 0 HA PRO A 565 9.390 -35.335 0.459 1.00 22.44 H new ATOM 0 HB2 PRO A 565 6.610 -35.676 0.738 1.00 40.31 H new ATOM 0 HB3 PRO A 565 7.624 -35.539 2.161 1.00 40.31 H new ATOM 0 HG2 PRO A 565 5.985 -33.448 0.794 1.00 44.42 H new ATOM 0 HG3 PRO A 565 6.173 -33.764 2.507 1.00 44.42 H new ATOM 0 HD2 PRO A 565 7.499 -31.759 1.244 1.00 3.33 H new ATOM 0 HD3 PRO A 565 8.159 -32.581 2.644 1.00 3.33 H new ATOM 572 N PHE A 566 8.266 -36.045 -1.586 1.00 4.33 N ATOM 573 CA PHE A 566 7.790 -36.421 -2.894 1.00 41.12 C ATOM 574 C PHE A 566 7.161 -37.782 -2.784 1.00 13.11 C ATOM 575 O PHE A 566 7.378 -38.479 -1.795 1.00 70.12 O ATOM 576 CB PHE A 566 8.953 -36.495 -3.850 1.00 31.12 C ATOM 577 CG PHE A 566 9.992 -37.528 -3.476 1.00 32.05 C ATOM 578 CD1 PHE A 566 11.069 -37.184 -2.639 1.00 71.15 C ATOM 579 CD2 PHE A 566 9.916 -38.844 -3.977 1.00 74.33 C ATOM 580 CE1 PHE A 566 12.060 -38.139 -2.298 1.00 13.21 C ATOM 581 CE2 PHE A 566 10.903 -39.805 -3.646 1.00 4.02 C ATOM 582 CZ PHE A 566 11.976 -39.449 -2.808 1.00 43.22 C ATOM 0 H PHE A 566 8.735 -36.802 -1.089 1.00 4.33 H new ATOM 0 HA PHE A 566 7.069 -35.689 -3.259 1.00 41.12 H new ATOM 0 HB2 PHE A 566 8.576 -36.719 -4.848 1.00 31.12 H new ATOM 0 HB3 PHE A 566 9.431 -35.517 -3.902 1.00 31.12 H new ATOM 0 HD1 PHE A 566 11.142 -36.179 -2.251 1.00 71.15 H new ATOM 0 HD2 PHE A 566 9.095 -39.123 -4.621 1.00 74.33 H new ATOM 0 HE1 PHE A 566 12.877 -37.862 -1.649 1.00 13.21 H new ATOM 0 HE2 PHE A 566 10.832 -40.809 -4.036 1.00 4.02 H new ATOM 0 HZ PHE A 566 12.732 -40.178 -2.557 1.00 43.22 H new ATOM 592 N ARG A 567 6.407 -38.166 -3.803 1.00 61.32 N ATOM 593 CA ARG A 567 5.786 -39.480 -3.855 1.00 71.31 C ATOM 594 C ARG A 567 5.463 -39.812 -5.289 1.00 65.11 C ATOM 595 O ARG A 567 5.259 -38.914 -6.106 1.00 15.31 O ATOM 596 CB ARG A 567 4.512 -39.501 -2.992 1.00 1.45 C ATOM 597 CG ARG A 567 3.498 -38.388 -3.317 1.00 31.51 C ATOM 598 CD ARG A 567 2.540 -38.757 -4.441 1.00 4.11 C ATOM 599 NE ARG A 567 1.758 -39.986 -4.226 1.00 72.31 N ATOM 600 CZ ARG A 567 0.568 -40.078 -3.651 1.00 54.35 C ATOM 601 NH1 ARG A 567 -0.045 -39.045 -3.131 1.00 13.11 N ATOM 602 NH2 ARG A 567 -0.016 -41.242 -3.618 1.00 52.42 N ATOM 0 H ARG A 567 6.209 -37.579 -4.613 1.00 61.32 H new ATOM 0 HA ARG A 567 6.473 -40.228 -3.459 1.00 71.31 H new ATOM 0 HB2 ARG A 567 4.022 -40.467 -3.114 1.00 1.45 H new ATOM 0 HB3 ARG A 567 4.798 -39.419 -1.943 1.00 1.45 H new ATOM 0 HG2 ARG A 567 2.923 -38.156 -2.420 1.00 31.51 H new ATOM 0 HG3 ARG A 567 4.039 -37.482 -3.592 1.00 31.51 H new ATOM 0 HD2 ARG A 567 1.848 -37.928 -4.593 1.00 4.11 H new ATOM 0 HD3 ARG A 567 3.112 -38.867 -5.362 1.00 4.11 H new ATOM 0 HE ARG A 567 2.176 -40.857 -4.554 1.00 72.31 H new ATOM 0 HH11 ARG A 567 0.393 -38.124 -3.159 1.00 13.11 H new ATOM 0 HH12 ARG A 567 -0.961 -39.161 -2.698 1.00 13.11 H new ATOM 0 HH21 ARG A 567 0.443 -42.055 -4.029 1.00 52.42 H new ATOM 0 HH22 ARG A 567 -0.933 -41.341 -3.181 1.00 52.42 H new ATOM 616 N THR A 568 5.375 -41.089 -5.582 1.00 62.54 N ATOM 617 CA THR A 568 4.999 -41.559 -6.901 1.00 71.11 C ATOM 618 C THR A 568 3.492 -41.525 -7.035 1.00 42.21 C ATOM 619 O THR A 568 2.771 -41.797 -6.073 1.00 31.15 O ATOM 620 CB THR A 568 5.465 -42.998 -7.078 1.00 23.41 C ATOM 621 OG1 THR A 568 6.652 -43.181 -6.312 1.00 42.20 O ATOM 622 CG2 THR A 568 5.789 -43.295 -8.498 1.00 1.42 C ATOM 0 H THR A 568 5.562 -41.835 -4.912 1.00 62.54 H new ATOM 0 HA THR A 568 5.459 -40.920 -7.654 1.00 71.11 H new ATOM 0 HB THR A 568 4.663 -43.661 -6.754 1.00 23.41 H new ATOM 0 HG1 THR A 568 7.433 -43.127 -6.901 1.00 42.20 H new ATOM 0 HG21 THR A 568 6.118 -44.330 -8.587 1.00 1.42 H new ATOM 0 HG22 THR A 568 4.902 -43.142 -9.113 1.00 1.42 H new ATOM 0 HG23 THR A 568 6.585 -42.631 -8.836 1.00 1.42 H new ATOM 630 N VAL A 569 3.020 -41.164 -8.211 1.00 64.31 N ATOM 631 CA VAL A 569 1.622 -41.106 -8.537 1.00 14.13 C ATOM 632 C VAL A 569 1.562 -41.807 -9.849 1.00 32.32 C ATOM 633 O VAL A 569 2.248 -41.465 -10.796 1.00 41.44 O ATOM 634 CB VAL A 569 1.101 -39.670 -8.766 1.00 31.40 C ATOM 635 CG1 VAL A 569 -0.410 -39.687 -9.055 1.00 52.01 C ATOM 636 CG2 VAL A 569 1.372 -38.777 -7.583 1.00 1.22 C ATOM 0 H VAL A 569 3.625 -40.895 -8.987 1.00 64.31 H new ATOM 0 HA VAL A 569 1.023 -41.527 -7.730 1.00 14.13 H new ATOM 0 HB VAL A 569 1.637 -39.269 -9.626 1.00 31.40 H new ATOM 0 HG11 VAL A 569 -0.762 -38.668 -9.214 1.00 52.01 H new ATOM 0 HG12 VAL A 569 -0.603 -40.281 -9.948 1.00 52.01 H new ATOM 0 HG13 VAL A 569 -0.938 -40.125 -8.208 1.00 52.01 H new ATOM 0 HG21 VAL A 569 0.989 -37.777 -7.787 1.00 1.22 H new ATOM 0 HG22 VAL A 569 0.877 -39.182 -6.700 1.00 1.22 H new ATOM 0 HG23 VAL A 569 2.446 -38.725 -7.405 1.00 1.22 H new ATOM 646 N GLU A 570 0.763 -42.826 -9.874 1.00 62.01 N ATOM 647 CA GLU A 570 0.562 -43.612 -11.057 1.00 72.44 C ATOM 648 C GLU A 570 -0.588 -43.019 -11.877 1.00 43.52 C ATOM 649 O GLU A 570 -1.536 -42.473 -11.323 1.00 20.31 O ATOM 650 CB GLU A 570 0.317 -45.067 -10.658 1.00 22.11 C ATOM 651 CG GLU A 570 -0.068 -45.353 -9.171 1.00 61.33 C ATOM 652 CD GLU A 570 -1.277 -44.562 -8.646 1.00 2.53 C ATOM 653 OE1 GLU A 570 -2.431 -44.917 -8.948 1.00 44.44 O ATOM 654 OE2 GLU A 570 -1.040 -43.596 -7.866 1.00 72.10 O ATOM 0 H GLU A 570 0.225 -43.142 -9.067 1.00 62.01 H new ATOM 0 HA GLU A 570 1.449 -43.593 -11.690 1.00 72.44 H new ATOM 0 HB2 GLU A 570 -0.477 -45.460 -11.293 1.00 22.11 H new ATOM 0 HB3 GLU A 570 1.219 -45.635 -10.887 1.00 22.11 H new ATOM 0 HG2 GLU A 570 -0.276 -46.418 -9.064 1.00 61.33 H new ATOM 0 HG3 GLU A 570 0.793 -45.132 -8.540 1.00 61.33 H new ATOM 661 N GLY A 571 -0.465 -43.076 -13.200 1.00 25.32 N ATOM 662 CA GLY A 571 -1.516 -42.587 -14.080 1.00 10.32 C ATOM 663 C GLY A 571 -2.153 -43.794 -14.727 1.00 62.14 C ATOM 664 O GLY A 571 -3.209 -44.253 -14.307 1.00 65.43 O ATOM 0 H GLY A 571 0.350 -43.455 -13.683 1.00 25.32 H new ATOM 0 HA2 GLY A 571 -2.255 -42.017 -13.517 1.00 10.32 H new ATOM 0 HA3 GLY A 571 -1.105 -41.917 -14.835 1.00 10.32 H new ATOM 668 N THR A 572 -1.432 -44.391 -15.661 1.00 63.22 N ATOM 669 CA THR A 572 -1.719 -45.760 -16.070 1.00 54.12 C ATOM 670 C THR A 572 -0.467 -46.536 -15.696 1.00 65.21 C ATOM 671 O THR A 572 0.596 -46.305 -16.257 1.00 15.42 O ATOM 672 CB THR A 572 -2.118 -45.907 -17.574 1.00 40.43 C ATOM 673 OG1 THR A 572 -2.072 -47.284 -17.955 1.00 21.23 O ATOM 674 CG2 THR A 572 -1.223 -45.115 -18.504 1.00 21.13 C ATOM 0 H THR A 572 -0.649 -43.955 -16.149 1.00 63.22 H new ATOM 0 HA THR A 572 -2.605 -46.147 -15.566 1.00 54.12 H new ATOM 0 HB THR A 572 -3.128 -45.509 -17.668 1.00 40.43 H new ATOM 0 HG1 THR A 572 -1.140 -47.554 -18.093 1.00 21.23 H new ATOM 0 HG21 THR A 572 -1.551 -45.258 -19.534 1.00 21.13 H new ATOM 0 HG22 THR A 572 -1.279 -44.057 -18.249 1.00 21.13 H new ATOM 0 HG23 THR A 572 -0.194 -45.459 -18.400 1.00 21.13 H new ATOM 682 N ALA A 573 -0.597 -47.395 -14.692 1.00 34.22 N ATOM 683 CA ALA A 573 0.485 -48.240 -14.189 1.00 11.33 C ATOM 684 C ALA A 573 -0.160 -49.099 -13.111 1.00 61.23 C ATOM 685 O ALA A 573 -1.265 -48.787 -12.668 1.00 12.41 O ATOM 686 CB ALA A 573 1.631 -47.405 -13.573 1.00 43.10 C ATOM 0 H ALA A 573 -1.476 -47.528 -14.192 1.00 34.22 H new ATOM 0 HA ALA A 573 0.931 -48.824 -14.994 1.00 11.33 H new ATOM 0 HB1 ALA A 573 2.414 -48.072 -13.212 1.00 43.10 H new ATOM 0 HB2 ALA A 573 2.043 -46.738 -14.330 1.00 43.10 H new ATOM 0 HB3 ALA A 573 1.245 -46.815 -12.742 1.00 43.10 H new ATOM 692 N LYS A 574 0.523 -50.148 -12.672 1.00 51.34 N ATOM 693 CA LYS A 574 0.001 -50.995 -11.592 1.00 22.12 C ATOM 694 C LYS A 574 0.479 -50.450 -10.235 1.00 60.52 C ATOM 695 O LYS A 574 -0.211 -50.560 -9.229 1.00 30.22 O ATOM 696 CB LYS A 574 0.427 -52.459 -11.728 1.00 50.04 C ATOM 697 CG LYS A 574 0.830 -52.935 -13.121 1.00 64.31 C ATOM 698 CD LYS A 574 -0.245 -52.810 -14.187 1.00 34.12 C ATOM 699 CE LYS A 574 0.234 -53.466 -15.461 1.00 31.54 C ATOM 700 NZ LYS A 574 1.496 -52.840 -16.029 1.00 5.24 N ATOM 0 H LYS A 574 1.430 -50.436 -13.038 1.00 51.34 H new ATOM 0 HA LYS A 574 -1.087 -50.966 -11.658 1.00 22.12 H new ATOM 0 HB2 LYS A 574 1.266 -52.632 -11.055 1.00 50.04 H new ATOM 0 HB3 LYS A 574 -0.395 -53.085 -11.380 1.00 50.04 H new ATOM 0 HG2 LYS A 574 1.704 -52.368 -13.442 1.00 64.31 H new ATOM 0 HG3 LYS A 574 1.134 -53.980 -13.056 1.00 64.31 H new ATOM 0 HD2 LYS A 574 -1.167 -53.281 -13.847 1.00 34.12 H new ATOM 0 HD3 LYS A 574 -0.472 -51.760 -14.369 1.00 34.12 H new ATOM 0 HE2 LYS A 574 0.417 -54.523 -15.269 1.00 31.54 H new ATOM 0 HE3 LYS A 574 -0.557 -53.410 -16.208 1.00 31.54 H new ATOM 0 HZ1 LYS A 574 1.778 -53.348 -16.891 1.00 5.24 H new ATOM 0 HZ2 LYS A 574 1.315 -51.842 -16.259 1.00 5.24 H new ATOM 0 HZ3 LYS A 574 2.260 -52.901 -15.326 1.00 5.24 H new ATOM 714 N GLY A 575 1.661 -49.840 -10.241 1.00 22.11 N ATOM 715 CA GLY A 575 2.243 -49.267 -9.031 1.00 70.21 C ATOM 716 C GLY A 575 2.851 -50.278 -8.080 1.00 4.34 C ATOM 717 O GLY A 575 3.056 -51.436 -8.436 1.00 30.44 O ATOM 0 H GLY A 575 2.237 -49.729 -11.075 1.00 22.11 H new ATOM 0 HA2 GLY A 575 3.013 -48.551 -9.319 1.00 70.21 H new ATOM 0 HA3 GLY A 575 1.470 -48.709 -8.502 1.00 70.21 H new ATOM 721 N GLY A 576 3.134 -49.845 -6.858 1.00 44.10 N ATOM 722 CA GLY A 576 3.648 -50.749 -5.845 1.00 71.23 C ATOM 723 C GLY A 576 5.079 -51.162 -6.101 1.00 40.42 C ATOM 724 O GLY A 576 6.001 -50.396 -5.884 1.00 72.45 O ATOM 0 H GLY A 576 3.016 -48.880 -6.549 1.00 44.10 H new ATOM 0 HA2 GLY A 576 3.582 -50.269 -4.869 1.00 71.23 H new ATOM 0 HA3 GLY A 576 3.019 -51.639 -5.806 1.00 71.23 H new ATOM 728 N GLY A 577 5.248 -52.411 -6.499 1.00 41.25 N ATOM 729 CA GLY A 577 6.544 -52.942 -6.901 1.00 63.32 C ATOM 730 C GLY A 577 6.478 -53.510 -8.301 1.00 34.32 C ATOM 731 O GLY A 577 7.310 -54.329 -8.654 1.00 22.21 O ATOM 0 H GLY A 577 4.489 -53.090 -6.554 1.00 41.25 H new ATOM 0 HA2 GLY A 577 7.295 -52.153 -6.858 1.00 63.32 H new ATOM 0 HA3 GLY A 577 6.857 -53.718 -6.203 1.00 63.32 H new ATOM 735 N GLU A 578 5.395 -53.225 -9.010 1.00 42.31 N ATOM 736 CA GLU A 578 5.076 -53.936 -10.251 1.00 0.12 C ATOM 737 C GLU A 578 5.536 -53.257 -11.552 1.00 42.44 C ATOM 738 O GLU A 578 6.150 -53.900 -12.381 1.00 42.42 O ATOM 739 CB GLU A 578 3.575 -54.198 -10.250 1.00 30.53 C ATOM 740 CG GLU A 578 3.075 -55.135 -11.333 1.00 74.21 C ATOM 741 CD GLU A 578 1.645 -55.639 -11.059 1.00 33.34 C ATOM 742 OE1 GLU A 578 1.120 -55.404 -9.945 1.00 21.34 O ATOM 743 OE2 GLU A 578 1.034 -56.239 -11.971 1.00 30.22 O ATOM 0 H GLU A 578 4.719 -52.507 -8.751 1.00 42.31 H new ATOM 0 HA GLU A 578 5.651 -54.862 -10.253 1.00 0.12 H new ATOM 0 HB2 GLU A 578 3.296 -54.610 -9.280 1.00 30.53 H new ATOM 0 HB3 GLU A 578 3.057 -53.244 -10.352 1.00 30.53 H new ATOM 0 HG2 GLU A 578 3.098 -54.621 -12.294 1.00 74.21 H new ATOM 0 HG3 GLU A 578 3.749 -55.988 -11.412 1.00 74.21 H new ATOM 750 N ASP A 579 5.268 -51.964 -11.721 1.00 42.22 N ATOM 751 CA ASP A 579 5.750 -51.232 -12.916 1.00 3.12 C ATOM 752 C ASP A 579 6.917 -50.347 -12.536 1.00 33.44 C ATOM 753 O ASP A 579 7.822 -50.062 -13.316 1.00 70.30 O ATOM 754 CB ASP A 579 4.662 -50.320 -13.464 1.00 74.23 C ATOM 755 CG ASP A 579 3.684 -51.038 -14.345 1.00 11.53 C ATOM 756 OD1 ASP A 579 3.943 -52.152 -14.818 1.00 62.35 O ATOM 757 OD2 ASP A 579 2.586 -50.485 -14.515 1.00 54.52 O ATOM 0 H ASP A 579 4.730 -51.399 -11.064 1.00 42.22 H new ATOM 0 HA ASP A 579 6.038 -51.971 -13.663 1.00 3.12 H new ATOM 0 HB2 ASP A 579 4.126 -49.863 -12.632 1.00 74.23 H new ATOM 0 HB3 ASP A 579 5.125 -49.510 -14.028 1.00 74.23 H new ATOM 762 N PHE A 580 6.871 -49.886 -11.305 1.00 24.43 N ATOM 763 CA PHE A 580 7.912 -49.060 -10.750 1.00 55.03 C ATOM 764 C PHE A 580 7.782 -49.335 -9.279 1.00 0.05 C ATOM 765 O PHE A 580 6.765 -49.876 -8.844 1.00 70.21 O ATOM 766 CB PHE A 580 7.687 -47.569 -11.067 1.00 32.40 C ATOM 767 CG PHE A 580 6.333 -47.052 -10.647 1.00 40.21 C ATOM 768 CD1 PHE A 580 6.026 -46.860 -9.285 1.00 43.34 C ATOM 769 CD2 PHE A 580 5.357 -46.741 -11.609 1.00 33.31 C ATOM 770 CE1 PHE A 580 4.767 -46.390 -8.884 1.00 31.53 C ATOM 771 CE2 PHE A 580 4.091 -46.248 -11.211 1.00 1.20 C ATOM 772 CZ PHE A 580 3.803 -46.079 -9.841 1.00 4.31 C ATOM 0 H PHE A 580 6.104 -50.077 -10.660 1.00 24.43 H new ATOM 0 HA PHE A 580 8.901 -49.279 -11.152 1.00 55.03 H new ATOM 0 HB2 PHE A 580 8.459 -46.982 -10.570 1.00 32.40 H new ATOM 0 HB3 PHE A 580 7.808 -47.413 -12.139 1.00 32.40 H new ATOM 0 HD1 PHE A 580 6.774 -47.079 -8.537 1.00 43.34 H new ATOM 0 HD2 PHE A 580 5.574 -46.879 -12.658 1.00 33.31 H new ATOM 0 HE1 PHE A 580 4.545 -46.269 -7.834 1.00 31.53 H new ATOM 0 HE2 PHE A 580 3.348 -46.002 -11.955 1.00 1.20 H new ATOM 0 HZ PHE A 580 2.836 -45.709 -9.534 1.00 4.31 H new ATOM 782 N GLU A 581 8.783 -48.952 -8.514 1.00 54.41 N ATOM 783 CA GLU A 581 8.690 -49.059 -7.062 1.00 40.22 C ATOM 784 C GLU A 581 8.148 -47.754 -6.490 1.00 20.24 C ATOM 785 O GLU A 581 8.567 -46.673 -6.912 1.00 33.34 O ATOM 786 CB GLU A 581 10.047 -49.386 -6.455 1.00 10.02 C ATOM 787 CG GLU A 581 10.475 -50.815 -6.741 1.00 34.14 C ATOM 788 CD GLU A 581 11.820 -51.164 -6.111 1.00 61.14 C ATOM 789 OE1 GLU A 581 12.502 -50.256 -5.587 1.00 63.41 O ATOM 790 OE2 GLU A 581 12.242 -52.337 -6.238 1.00 64.22 O ATOM 0 H GLU A 581 9.662 -48.568 -8.861 1.00 54.41 H new ATOM 0 HA GLU A 581 8.008 -49.871 -6.810 1.00 40.22 H new ATOM 0 HB2 GLU A 581 10.795 -48.699 -6.850 1.00 10.02 H new ATOM 0 HB3 GLU A 581 10.008 -49.229 -5.377 1.00 10.02 H new ATOM 0 HG2 GLU A 581 9.714 -51.500 -6.366 1.00 34.14 H new ATOM 0 HG3 GLU A 581 10.534 -50.963 -7.819 1.00 34.14 H new ATOM 797 N ASP A 582 7.216 -47.867 -5.547 1.00 12.42 N ATOM 798 CA ASP A 582 6.605 -46.713 -4.863 1.00 54.14 C ATOM 799 C ASP A 582 7.670 -45.925 -4.114 1.00 63.14 C ATOM 800 O ASP A 582 8.015 -46.218 -2.966 1.00 64.21 O ATOM 801 CB ASP A 582 5.546 -47.160 -3.846 1.00 2.05 C ATOM 802 CG ASP A 582 4.203 -47.494 -4.481 1.00 4.31 C ATOM 803 OD1 ASP A 582 3.964 -47.148 -5.659 1.00 32.14 O ATOM 804 OD2 ASP A 582 3.351 -48.048 -3.757 1.00 42.41 O ATOM 0 H ASP A 582 6.856 -48.766 -5.228 1.00 12.42 H new ATOM 0 HA ASP A 582 6.135 -46.096 -5.629 1.00 54.14 H new ATOM 0 HB2 ASP A 582 5.914 -48.035 -3.310 1.00 2.05 H new ATOM 0 HB3 ASP A 582 5.405 -46.370 -3.108 1.00 2.05 H new ATOM 809 N ALA A 583 8.207 -44.928 -4.786 1.00 51.34 N ATOM 810 CA ALA A 583 9.293 -44.137 -4.270 1.00 5.01 C ATOM 811 C ALA A 583 8.800 -42.821 -3.690 1.00 73.40 C ATOM 812 O ALA A 583 8.448 -41.881 -4.414 1.00 43.33 O ATOM 813 CB ALA A 583 10.285 -43.898 -5.357 1.00 1.43 C ATOM 0 H ALA A 583 7.895 -44.645 -5.715 1.00 51.34 H new ATOM 0 HA ALA A 583 9.769 -44.685 -3.457 1.00 5.01 H new ATOM 0 HB1 ALA A 583 11.110 -43.299 -4.971 1.00 1.43 H new ATOM 0 HB2 ALA A 583 10.667 -44.853 -5.717 1.00 1.43 H new ATOM 0 HB3 ALA A 583 9.804 -43.367 -6.178 1.00 1.43 H new ATOM 819 N TYR A 584 8.803 -42.752 -2.374 1.00 42.10 N ATOM 820 CA TYR A 584 8.416 -41.549 -1.667 1.00 21.32 C ATOM 821 C TYR A 584 9.417 -41.301 -0.556 1.00 43.35 C ATOM 822 O TYR A 584 9.919 -42.237 0.060 1.00 60.22 O ATOM 823 CB TYR A 584 6.998 -41.701 -1.107 1.00 74.11 C ATOM 824 CG TYR A 584 6.768 -42.978 -0.328 1.00 61.54 C ATOM 825 CD1 TYR A 584 6.335 -44.153 -0.984 1.00 23.20 C ATOM 826 CD2 TYR A 584 6.971 -43.030 1.068 1.00 50.10 C ATOM 827 CE1 TYR A 584 6.122 -45.354 -0.267 1.00 31.13 C ATOM 828 CE2 TYR A 584 6.753 -44.236 1.792 1.00 30.31 C ATOM 829 CZ TYR A 584 6.333 -45.385 1.114 1.00 72.42 C ATOM 830 OH TYR A 584 6.126 -46.550 1.805 1.00 61.31 O ATOM 0 H TYR A 584 9.073 -43.526 -1.767 1.00 42.10 H new ATOM 0 HA TYR A 584 8.414 -40.696 -2.346 1.00 21.32 H new ATOM 0 HB2 TYR A 584 6.783 -40.851 -0.460 1.00 74.11 H new ATOM 0 HB3 TYR A 584 6.288 -41.660 -1.933 1.00 74.11 H new ATOM 0 HD1 TYR A 584 6.164 -44.134 -2.050 1.00 23.20 H new ATOM 0 HD2 TYR A 584 7.296 -42.144 1.593 1.00 50.10 H new ATOM 0 HE1 TYR A 584 5.797 -46.244 -0.785 1.00 31.13 H new ATOM 0 HE2 TYR A 584 6.911 -44.264 2.860 1.00 30.31 H new ATOM 0 HH TYR A 584 6.317 -46.405 2.755 1.00 61.31 H new ATOM 840 N GLY A 585 9.740 -40.041 -0.315 1.00 63.55 N ATOM 841 CA GLY A 585 10.683 -39.717 0.739 1.00 75.44 C ATOM 842 C GLY A 585 10.742 -38.226 0.900 1.00 74.31 C ATOM 843 O GLY A 585 9.972 -37.527 0.252 1.00 40.42 O ATOM 0 H GLY A 585 9.370 -39.239 -0.826 1.00 63.55 H new ATOM 0 HA2 GLY A 585 10.377 -40.185 1.675 1.00 75.44 H new ATOM 0 HA3 GLY A 585 11.670 -40.109 0.494 1.00 75.44 H new ATOM 847 N GLU A 586 11.648 -37.736 1.730 1.00 43.14 N ATOM 848 CA GLU A 586 11.827 -36.298 1.912 1.00 24.02 C ATOM 849 C GLU A 586 13.208 -35.884 1.459 1.00 72.21 C ATOM 850 O GLU A 586 14.167 -36.648 1.545 1.00 61.52 O ATOM 851 CB GLU A 586 11.622 -35.881 3.368 1.00 22.02 C ATOM 852 CG GLU A 586 10.160 -35.807 3.752 1.00 35.20 C ATOM 853 CD GLU A 586 9.898 -34.961 4.985 1.00 30.11 C ATOM 854 OE1 GLU A 586 10.662 -35.026 5.962 1.00 62.24 O ATOM 855 OE2 GLU A 586 8.898 -34.203 4.960 1.00 42.10 O ATOM 0 H GLU A 586 12.275 -38.312 2.292 1.00 43.14 H new ATOM 0 HA GLU A 586 11.073 -35.796 1.306 1.00 24.02 H new ATOM 0 HB2 GLU A 586 12.130 -36.591 4.020 1.00 22.02 H new ATOM 0 HB3 GLU A 586 12.087 -34.909 3.532 1.00 22.02 H new ATOM 0 HG2 GLU A 586 9.593 -35.400 2.915 1.00 35.20 H new ATOM 0 HG3 GLU A 586 9.788 -36.816 3.928 1.00 35.20 H new ATOM 862 N LEU A 587 13.288 -34.663 0.963 1.00 74.31 N ATOM 863 CA LEU A 587 14.519 -34.102 0.446 1.00 4.54 C ATOM 864 C LEU A 587 14.864 -32.880 1.268 1.00 2.33 C ATOM 865 O LEU A 587 14.050 -31.970 1.388 1.00 4.01 O ATOM 866 CB LEU A 587 14.291 -33.648 -0.989 1.00 70.11 C ATOM 867 CG LEU A 587 13.788 -34.679 -1.996 1.00 54.13 C ATOM 868 CD1 LEU A 587 13.258 -33.936 -3.193 1.00 10.02 C ATOM 869 CD2 LEU A 587 14.853 -35.653 -2.433 1.00 64.34 C ATOM 0 H LEU A 587 12.492 -34.028 0.908 1.00 74.31 H new ATOM 0 HA LEU A 587 15.316 -34.844 0.490 1.00 4.54 H new ATOM 0 HB2 LEU A 587 13.577 -32.825 -0.969 1.00 70.11 H new ATOM 0 HB3 LEU A 587 15.231 -33.245 -1.365 1.00 70.11 H new ATOM 0 HG LEU A 587 13.012 -35.273 -1.513 1.00 54.13 H new ATOM 0 HD11 LEU A 587 12.891 -34.649 -3.931 1.00 10.02 H new ATOM 0 HD12 LEU A 587 12.443 -33.282 -2.884 1.00 10.02 H new ATOM 0 HD13 LEU A 587 14.056 -33.338 -3.633 1.00 10.02 H new ATOM 0 HD21 LEU A 587 14.430 -36.358 -3.148 1.00 64.34 H new ATOM 0 HD22 LEU A 587 15.673 -35.109 -2.902 1.00 64.34 H new ATOM 0 HD23 LEU A 587 15.227 -36.197 -1.565 1.00 64.34 H new ATOM 881 N GLU A 588 16.057 -32.839 1.825 1.00 64.30 N ATOM 882 CA GLU A 588 16.491 -31.671 2.579 1.00 51.55 C ATOM 883 C GLU A 588 17.149 -30.675 1.629 1.00 1.33 C ATOM 884 O GLU A 588 18.129 -31.000 0.962 1.00 4.30 O ATOM 885 CB GLU A 588 17.483 -32.074 3.668 1.00 74.25 C ATOM 886 CG GLU A 588 17.815 -30.934 4.619 1.00 54.20 C ATOM 887 CD GLU A 588 18.893 -31.301 5.624 1.00 14.10 C ATOM 888 OE1 GLU A 588 19.694 -32.218 5.343 1.00 62.11 O ATOM 889 OE2 GLU A 588 19.015 -30.595 6.640 1.00 53.42 O ATOM 0 H GLU A 588 16.742 -33.593 1.773 1.00 64.30 H new ATOM 0 HA GLU A 588 15.623 -31.213 3.053 1.00 51.55 H new ATOM 0 HB2 GLU A 588 17.071 -32.907 4.238 1.00 74.25 H new ATOM 0 HB3 GLU A 588 18.401 -32.430 3.202 1.00 74.25 H new ATOM 0 HG2 GLU A 588 18.142 -30.069 4.042 1.00 54.20 H new ATOM 0 HG3 GLU A 588 16.912 -30.638 5.153 1.00 54.20 H new ATOM 896 N PHE A 589 16.623 -29.463 1.582 1.00 35.52 N ATOM 897 CA PHE A 589 17.213 -28.393 0.782 1.00 22.40 C ATOM 898 C PHE A 589 17.680 -27.315 1.750 1.00 32.15 C ATOM 899 O PHE A 589 16.866 -26.671 2.403 1.00 15.20 O ATOM 900 CB PHE A 589 16.172 -27.757 -0.148 1.00 12.32 C ATOM 901 CG PHE A 589 15.641 -28.674 -1.223 1.00 64.42 C ATOM 902 CD1 PHE A 589 14.602 -29.582 -0.953 1.00 51.14 C ATOM 903 CD2 PHE A 589 16.128 -28.581 -2.538 1.00 51.14 C ATOM 904 CE1 PHE A 589 14.055 -30.368 -1.984 1.00 11.20 C ATOM 905 CE2 PHE A 589 15.576 -29.360 -3.572 1.00 45.34 C ATOM 906 CZ PHE A 589 14.538 -30.259 -3.286 1.00 13.23 C ATOM 0 H PHE A 589 15.782 -29.190 2.091 1.00 35.52 H new ATOM 0 HA PHE A 589 18.024 -28.801 0.178 1.00 22.40 H new ATOM 0 HB2 PHE A 589 15.335 -27.403 0.454 1.00 12.32 H new ATOM 0 HB3 PHE A 589 16.616 -26.882 -0.623 1.00 12.32 H new ATOM 0 HD1 PHE A 589 14.221 -29.677 0.053 1.00 51.14 H new ATOM 0 HD2 PHE A 589 16.938 -27.902 -2.758 1.00 51.14 H new ATOM 0 HE1 PHE A 589 13.256 -31.060 -1.764 1.00 11.20 H new ATOM 0 HE2 PHE A 589 15.950 -29.266 -4.581 1.00 45.34 H new ATOM 0 HZ PHE A 589 14.114 -30.865 -4.073 1.00 13.23 H new ATOM 916 N LYS A 590 18.975 -27.063 1.797 1.00 64.23 N ATOM 917 CA LYS A 590 19.527 -25.996 2.624 1.00 21.31 C ATOM 918 C LYS A 590 19.786 -24.845 1.684 1.00 4.13 C ATOM 919 O LYS A 590 19.560 -24.972 0.498 1.00 23.35 O ATOM 920 CB LYS A 590 20.826 -26.441 3.306 1.00 32.04 C ATOM 921 CG LYS A 590 20.685 -27.720 4.121 1.00 62.43 C ATOM 922 CD LYS A 590 21.957 -27.991 4.916 1.00 35.44 C ATOM 923 CE LYS A 590 21.901 -29.346 5.617 1.00 64.43 C ATOM 924 NZ LYS A 590 21.857 -30.482 4.631 1.00 15.02 N ATOM 0 H LYS A 590 19.673 -27.586 1.268 1.00 64.23 H new ATOM 0 HA LYS A 590 18.840 -25.718 3.423 1.00 21.31 H new ATOM 0 HB2 LYS A 590 21.593 -26.588 2.545 1.00 32.04 H new ATOM 0 HB3 LYS A 590 21.175 -25.641 3.959 1.00 32.04 H new ATOM 0 HG2 LYS A 590 19.837 -27.634 4.800 1.00 62.43 H new ATOM 0 HG3 LYS A 590 20.478 -28.560 3.458 1.00 62.43 H new ATOM 0 HD2 LYS A 590 22.818 -27.961 4.248 1.00 35.44 H new ATOM 0 HD3 LYS A 590 22.100 -27.203 5.656 1.00 35.44 H new ATOM 0 HE2 LYS A 590 22.772 -29.458 6.262 1.00 64.43 H new ATOM 0 HE3 LYS A 590 21.021 -29.387 6.259 1.00 64.43 H new ATOM 0 HZ1 LYS A 590 22.041 -31.378 5.126 1.00 15.02 H new ATOM 0 HZ2 LYS A 590 20.918 -30.519 4.185 1.00 15.02 H new ATOM 0 HZ3 LYS A 590 22.582 -30.335 3.900 1.00 15.02 H new ATOM 938 N ASN A 591 20.301 -23.750 2.210 1.00 44.13 N ATOM 939 CA ASN A 591 20.621 -22.554 1.430 1.00 23.22 C ATOM 940 C ASN A 591 21.340 -22.772 0.089 1.00 32.34 C ATOM 941 O ASN A 591 20.894 -22.265 -0.930 1.00 5.40 O ATOM 942 CB ASN A 591 21.527 -21.691 2.286 1.00 11.04 C ATOM 943 CG ASN A 591 21.797 -20.340 1.668 1.00 32.24 C ATOM 944 OD1 ASN A 591 20.787 -19.741 1.102 1.00 12.20 O flip ATOM 945 ND2 ASN A 591 22.896 -19.835 1.732 1.00 23.03 N flip ATOM 0 H ASN A 591 20.514 -23.658 3.203 1.00 44.13 H new ATOM 0 HA ASN A 591 19.659 -22.111 1.174 1.00 23.22 H new ATOM 0 HB2 ASN A 591 21.071 -21.553 3.266 1.00 11.04 H new ATOM 0 HB3 ASN A 591 22.473 -22.209 2.444 1.00 11.04 H new ATOM 0 HD21 ASN A 591 23.662 -20.335 2.183 1.00 23.03 H new ATOM 0 HD22 ASN A 591 23.056 -18.909 1.335 1.00 23.03 H new ATOM 952 N ASP A 592 22.480 -23.451 0.113 1.00 43.25 N ATOM 953 CA ASP A 592 23.227 -23.766 -1.115 1.00 73.23 C ATOM 954 C ASP A 592 22.654 -25.010 -1.803 1.00 4.51 C ATOM 955 O ASP A 592 22.577 -25.107 -3.021 1.00 63.25 O ATOM 956 CB ASP A 592 24.694 -24.017 -0.777 1.00 30.20 C ATOM 957 CG ASP A 592 25.561 -24.115 -2.016 1.00 73.13 C ATOM 958 OD1 ASP A 592 25.491 -23.200 -2.863 1.00 71.12 O ATOM 959 OD2 ASP A 592 26.322 -25.095 -2.133 1.00 31.34 O ATOM 0 H ASP A 592 22.915 -23.798 0.968 1.00 43.25 H new ATOM 0 HA ASP A 592 23.138 -22.916 -1.792 1.00 73.23 H new ATOM 0 HB2 ASP A 592 25.061 -23.211 -0.142 1.00 30.20 H new ATOM 0 HB3 ASP A 592 24.780 -24.939 -0.203 1.00 30.20 H new ATOM 964 N GLU A 593 22.240 -25.950 -0.966 1.00 13.52 N ATOM 965 CA GLU A 593 21.745 -27.299 -1.371 1.00 12.20 C ATOM 966 C GLU A 593 20.425 -27.342 -2.146 1.00 30.50 C ATOM 967 O GLU A 593 19.726 -28.352 -2.167 1.00 55.52 O ATOM 968 CB GLU A 593 21.670 -28.250 -0.176 1.00 60.35 C ATOM 969 CG GLU A 593 23.011 -28.615 0.422 1.00 41.32 C ATOM 970 CD GLU A 593 22.875 -29.717 1.465 1.00 23.00 C ATOM 971 OE1 GLU A 593 22.040 -30.631 1.270 1.00 23.14 O ATOM 972 OE2 GLU A 593 23.554 -29.644 2.507 1.00 53.34 O ATOM 0 H GLU A 593 22.231 -25.812 0.045 1.00 13.52 H new ATOM 0 HA GLU A 593 22.501 -27.630 -2.084 1.00 12.20 H new ATOM 0 HB2 GLU A 593 21.054 -27.792 0.598 1.00 60.35 H new ATOM 0 HB3 GLU A 593 21.164 -29.164 -0.487 1.00 60.35 H new ATOM 0 HG2 GLU A 593 23.686 -28.942 -0.369 1.00 41.32 H new ATOM 0 HG3 GLU A 593 23.459 -27.733 0.879 1.00 41.32 H new ATOM 979 N THR A 594 20.035 -26.207 -2.673 1.00 5.21 N ATOM 980 CA THR A 594 18.755 -26.007 -3.330 1.00 64.21 C ATOM 981 C THR A 594 18.623 -26.685 -4.688 1.00 52.14 C ATOM 982 O THR A 594 17.662 -26.445 -5.424 1.00 2.55 O ATOM 983 CB THR A 594 18.568 -24.540 -3.538 1.00 14.24 C ATOM 984 OG1 THR A 594 19.620 -24.016 -4.353 1.00 73.44 O ATOM 985 CG2 THR A 594 18.595 -23.839 -2.223 1.00 64.31 C ATOM 0 H THR A 594 20.614 -25.367 -2.659 1.00 5.21 H new ATOM 0 HA THR A 594 18.003 -26.456 -2.681 1.00 64.21 H new ATOM 0 HB THR A 594 17.609 -24.381 -4.031 1.00 14.24 H new ATOM 0 HG1 THR A 594 19.894 -23.140 -4.010 1.00 73.44 H new ATOM 0 HG21 THR A 594 18.458 -22.769 -2.378 1.00 64.31 H new ATOM 0 HG22 THR A 594 17.792 -24.219 -1.591 1.00 64.31 H new ATOM 0 HG23 THR A 594 19.554 -24.015 -1.736 1.00 64.31 H new ATOM 993 N VAL A 595 19.563 -27.568 -4.983 1.00 32.41 N ATOM 994 CA VAL A 595 19.513 -28.403 -6.173 1.00 40.44 C ATOM 995 C VAL A 595 19.485 -29.831 -5.652 1.00 42.22 C ATOM 996 O VAL A 595 20.362 -30.227 -4.879 1.00 11.41 O ATOM 997 CB VAL A 595 20.764 -28.195 -7.071 1.00 40.03 C ATOM 998 CG1 VAL A 595 20.504 -28.746 -8.481 1.00 53.34 C ATOM 999 CG2 VAL A 595 21.145 -26.702 -7.135 1.00 35.22 C ATOM 0 H VAL A 595 20.386 -27.727 -4.402 1.00 32.41 H new ATOM 0 HA VAL A 595 18.647 -28.159 -6.788 1.00 40.44 H new ATOM 0 HB VAL A 595 21.599 -28.741 -6.633 1.00 40.03 H new ATOM 0 HG11 VAL A 595 21.388 -28.594 -9.100 1.00 53.34 H new ATOM 0 HG12 VAL A 595 20.283 -29.812 -8.420 1.00 53.34 H new ATOM 0 HG13 VAL A 595 19.656 -28.224 -8.925 1.00 53.34 H new ATOM 0 HG21 VAL A 595 22.023 -26.577 -7.769 1.00 35.22 H new ATOM 0 HG22 VAL A 595 20.314 -26.132 -7.550 1.00 35.22 H new ATOM 0 HG23 VAL A 595 21.367 -26.340 -6.131 1.00 35.22 H new ATOM 1009 N LYS A 596 18.457 -30.586 -6.005 1.00 63.14 N ATOM 1010 CA LYS A 596 18.318 -31.953 -5.500 1.00 53.42 C ATOM 1011 C LYS A 596 17.631 -32.807 -6.526 1.00 24.42 C ATOM 1012 O LYS A 596 17.181 -32.300 -7.542 1.00 31.35 O ATOM 1013 CB LYS A 596 17.501 -31.938 -4.207 1.00 53.40 C ATOM 1014 CG LYS A 596 17.746 -33.115 -3.259 1.00 24.35 C ATOM 1015 CD LYS A 596 19.161 -33.176 -2.712 1.00 72.25 C ATOM 1016 CE LYS A 596 19.403 -31.987 -1.794 1.00 11.35 C ATOM 1017 NZ LYS A 596 20.630 -32.079 -0.920 1.00 42.32 N ATOM 0 H LYS A 596 17.711 -30.285 -6.632 1.00 63.14 H new ATOM 0 HA LYS A 596 19.306 -32.366 -5.298 1.00 53.42 H new ATOM 0 HB2 LYS A 596 17.716 -31.013 -3.673 1.00 53.40 H new ATOM 0 HB3 LYS A 596 16.443 -31.917 -4.467 1.00 53.40 H new ATOM 0 HG2 LYS A 596 17.047 -33.050 -2.426 1.00 24.35 H new ATOM 0 HG3 LYS A 596 17.529 -34.045 -3.785 1.00 24.35 H new ATOM 0 HD2 LYS A 596 19.311 -34.107 -2.166 1.00 72.25 H new ATOM 0 HD3 LYS A 596 19.880 -33.168 -3.532 1.00 72.25 H new ATOM 0 HE2 LYS A 596 19.481 -31.088 -2.406 1.00 11.35 H new ATOM 0 HE3 LYS A 596 18.530 -31.862 -1.153 1.00 11.35 H new ATOM 0 HZ1 LYS A 596 20.650 -31.273 -0.263 1.00 42.32 H new ATOM 0 HZ2 LYS A 596 20.604 -32.966 -0.378 1.00 42.32 H new ATOM 0 HZ3 LYS A 596 21.482 -32.062 -1.515 1.00 42.32 H new ATOM 1031 N THR A 597 17.540 -34.096 -6.261 1.00 60.10 N ATOM 1032 CA THR A 597 16.943 -35.019 -7.190 1.00 70.50 C ATOM 1033 C THR A 597 16.044 -36.040 -6.505 1.00 65.35 C ATOM 1034 O THR A 597 16.241 -36.367 -5.338 1.00 71.34 O ATOM 1035 CB THR A 597 18.062 -35.779 -7.872 1.00 2.33 C ATOM 1036 OG1 THR A 597 19.295 -35.508 -7.199 1.00 24.11 O ATOM 1037 CG2 THR A 597 18.224 -35.386 -9.335 1.00 11.03 C ATOM 0 H THR A 597 17.877 -34.525 -5.399 1.00 60.10 H new ATOM 0 HA THR A 597 16.334 -34.445 -7.888 1.00 70.50 H new ATOM 0 HB THR A 597 17.806 -36.838 -7.828 1.00 2.33 H new ATOM 0 HG1 THR A 597 20.021 -35.999 -7.636 1.00 24.11 H new ATOM 0 HG21 THR A 597 19.039 -35.959 -9.778 1.00 11.03 H new ATOM 0 HG22 THR A 597 17.299 -35.595 -9.873 1.00 11.03 H new ATOM 0 HG23 THR A 597 18.450 -34.322 -9.403 1.00 11.03 H new ATOM 1045 N ILE A 598 15.084 -36.557 -7.259 1.00 4.43 N ATOM 1046 CA ILE A 598 14.178 -37.614 -6.798 1.00 31.34 C ATOM 1047 C ILE A 598 14.471 -38.824 -7.632 1.00 44.54 C ATOM 1048 O ILE A 598 14.516 -38.714 -8.838 1.00 73.22 O ATOM 1049 CB ILE A 598 12.691 -37.232 -7.010 1.00 51.25 C ATOM 1050 CG1 ILE A 598 12.338 -36.158 -5.981 1.00 32.53 C ATOM 1051 CG2 ILE A 598 11.762 -38.501 -6.915 1.00 63.14 C ATOM 1052 CD1 ILE A 598 11.022 -35.447 -6.171 1.00 74.23 C ATOM 0 H ILE A 598 14.906 -36.256 -8.217 1.00 4.43 H new ATOM 0 HA ILE A 598 14.333 -37.783 -5.732 1.00 31.34 H new ATOM 0 HB ILE A 598 12.531 -36.830 -8.011 1.00 51.25 H new ATOM 0 HG12 ILE A 598 12.336 -36.620 -4.994 1.00 32.53 H new ATOM 0 HG13 ILE A 598 13.132 -35.411 -5.982 1.00 32.53 H new ATOM 0 HG21 ILE A 598 10.724 -38.204 -7.067 1.00 63.14 H new ATOM 0 HG22 ILE A 598 12.050 -39.221 -7.681 1.00 63.14 H new ATOM 0 HG23 ILE A 598 11.868 -38.957 -5.931 1.00 63.14 H new ATOM 0 HD11 ILE A 598 10.888 -34.711 -5.378 1.00 74.23 H new ATOM 0 HD12 ILE A 598 11.016 -34.944 -7.138 1.00 74.23 H new ATOM 0 HD13 ILE A 598 10.208 -36.171 -6.134 1.00 74.23 H new ATOM 1064 N ARG A 599 14.656 -39.966 -6.986 1.00 41.42 N ATOM 1065 CA ARG A 599 14.926 -41.226 -7.689 1.00 25.44 C ATOM 1066 C ARG A 599 13.761 -42.200 -7.556 1.00 21.41 C ATOM 1067 O ARG A 599 13.293 -42.437 -6.448 1.00 52.00 O ATOM 1068 CB ARG A 599 16.182 -41.892 -7.121 1.00 33.25 C ATOM 1069 CG ARG A 599 17.467 -41.372 -7.736 1.00 53.35 C ATOM 1070 CD ARG A 599 18.656 -42.266 -7.435 1.00 33.04 C ATOM 1071 NE ARG A 599 18.924 -42.380 -5.992 1.00 11.42 N ATOM 1072 CZ ARG A 599 19.841 -43.171 -5.448 1.00 42.32 C ATOM 1073 NH1 ARG A 599 20.620 -43.940 -6.172 1.00 42.14 N ATOM 1074 NH2 ARG A 599 19.975 -43.193 -4.152 1.00 3.22 N ATOM 0 H ARG A 599 14.625 -40.053 -5.970 1.00 41.42 H new ATOM 0 HA ARG A 599 15.070 -40.984 -8.742 1.00 25.44 H new ATOM 0 HB2 ARG A 599 16.213 -41.733 -6.043 1.00 33.25 H new ATOM 0 HB3 ARG A 599 16.119 -42.968 -7.283 1.00 33.25 H new ATOM 0 HG2 ARG A 599 17.342 -41.289 -8.816 1.00 53.35 H new ATOM 0 HG3 ARG A 599 17.666 -40.368 -7.360 1.00 53.35 H new ATOM 0 HD2 ARG A 599 18.474 -43.259 -7.847 1.00 33.04 H new ATOM 0 HD3 ARG A 599 19.540 -41.870 -7.935 1.00 33.04 H new ATOM 0 HE ARG A 599 18.362 -41.807 -5.362 1.00 11.42 H new ATOM 0 HH11 ARG A 599 20.532 -43.943 -7.188 1.00 42.14 H new ATOM 0 HH12 ARG A 599 21.314 -44.535 -5.719 1.00 42.14 H new ATOM 0 HH21 ARG A 599 19.379 -42.607 -3.568 1.00 3.22 H new ATOM 0 HH22 ARG A 599 20.676 -43.797 -3.722 1.00 3.22 H new ATOM 1088 N VAL A 600 13.336 -42.782 -8.672 1.00 45.55 N ATOM 1089 CA VAL A 600 12.277 -43.809 -8.681 1.00 63.12 C ATOM 1090 C VAL A 600 12.728 -45.013 -9.519 1.00 32.41 C ATOM 1091 O VAL A 600 12.935 -44.879 -10.726 1.00 3.34 O ATOM 1092 CB VAL A 600 10.934 -43.255 -9.279 1.00 33.01 C ATOM 1093 CG1 VAL A 600 9.855 -44.303 -9.244 1.00 61.43 C ATOM 1094 CG2 VAL A 600 10.508 -41.972 -8.563 1.00 54.11 C ATOM 0 H VAL A 600 13.708 -42.563 -9.596 1.00 45.55 H new ATOM 0 HA VAL A 600 12.101 -44.106 -7.647 1.00 63.12 H new ATOM 0 HB VAL A 600 11.103 -43.002 -10.326 1.00 33.01 H new ATOM 0 HG11 VAL A 600 8.936 -43.893 -9.664 1.00 61.43 H new ATOM 0 HG12 VAL A 600 10.168 -45.167 -9.830 1.00 61.43 H new ATOM 0 HG13 VAL A 600 9.678 -44.609 -8.213 1.00 61.43 H new ATOM 0 HG21 VAL A 600 9.576 -41.607 -8.994 1.00 54.11 H new ATOM 0 HG22 VAL A 600 10.361 -42.179 -7.503 1.00 54.11 H new ATOM 0 HG23 VAL A 600 11.283 -41.215 -8.681 1.00 54.11 H new ATOM 1104 N LYS A 601 12.927 -46.168 -8.886 1.00 3.43 N ATOM 1105 CA LYS A 601 13.336 -47.384 -9.606 1.00 0.14 C ATOM 1106 C LYS A 601 12.201 -47.847 -10.508 1.00 34.14 C ATOM 1107 O LYS A 601 11.044 -47.851 -10.091 1.00 62.15 O ATOM 1108 CB LYS A 601 13.683 -48.519 -8.629 1.00 11.45 C ATOM 1109 CG LYS A 601 14.572 -49.609 -9.260 1.00 34.24 C ATOM 1110 CD LYS A 601 14.308 -51.005 -8.704 1.00 40.34 C ATOM 1111 CE LYS A 601 13.160 -51.685 -9.462 1.00 0.35 C ATOM 1112 NZ LYS A 601 12.852 -53.054 -8.933 1.00 53.20 N ATOM 0 H LYS A 601 12.814 -46.293 -7.880 1.00 3.43 H new ATOM 0 HA LYS A 601 14.221 -47.145 -10.196 1.00 0.14 H new ATOM 0 HB2 LYS A 601 14.193 -48.100 -7.761 1.00 11.45 H new ATOM 0 HB3 LYS A 601 12.761 -48.974 -8.268 1.00 11.45 H new ATOM 0 HG2 LYS A 601 14.411 -49.619 -10.338 1.00 34.24 H new ATOM 0 HG3 LYS A 601 15.619 -49.353 -9.096 1.00 34.24 H new ATOM 0 HD2 LYS A 601 15.211 -51.610 -8.784 1.00 40.34 H new ATOM 0 HD3 LYS A 601 14.061 -50.939 -7.644 1.00 40.34 H new ATOM 0 HE2 LYS A 601 12.267 -51.064 -9.395 1.00 0.35 H new ATOM 0 HE3 LYS A 601 13.419 -51.757 -10.518 1.00 0.35 H new ATOM 0 HZ1 LYS A 601 12.220 -53.548 -9.595 1.00 53.20 H new ATOM 0 HZ2 LYS A 601 13.735 -53.593 -8.830 1.00 53.20 H new ATOM 0 HZ3 LYS A 601 12.387 -52.972 -8.006 1.00 53.20 H new ATOM 1126 N ILE A 602 12.534 -48.250 -11.720 1.00 71.45 N ATOM 1127 CA ILE A 602 11.551 -48.763 -12.672 1.00 23.34 C ATOM 1128 C ILE A 602 11.692 -50.276 -12.625 1.00 65.04 C ATOM 1129 O ILE A 602 12.807 -50.783 -12.546 1.00 24.13 O ATOM 1130 CB ILE A 602 11.807 -48.236 -14.122 1.00 53.30 C ATOM 1131 CG1 ILE A 602 12.067 -46.706 -14.110 1.00 2.34 C ATOM 1132 CG2 ILE A 602 10.599 -48.595 -15.040 1.00 1.25 C ATOM 1133 CD1 ILE A 602 10.946 -45.853 -13.530 1.00 4.45 C ATOM 0 H ILE A 602 13.489 -48.233 -12.077 1.00 71.45 H new ATOM 0 HA ILE A 602 10.547 -48.431 -12.407 1.00 23.34 H new ATOM 0 HB ILE A 602 12.698 -48.720 -14.522 1.00 53.30 H new ATOM 0 HG12 ILE A 602 12.977 -46.515 -13.541 1.00 2.34 H new ATOM 0 HG13 ILE A 602 12.256 -46.380 -15.133 1.00 2.34 H new ATOM 0 HG21 ILE A 602 10.785 -48.224 -16.048 1.00 1.25 H new ATOM 0 HG22 ILE A 602 10.473 -49.677 -15.069 1.00 1.25 H new ATOM 0 HG23 ILE A 602 9.693 -48.135 -14.646 1.00 1.25 H new ATOM 0 HD11 ILE A 602 11.231 -44.802 -13.570 1.00 4.45 H new ATOM 0 HD12 ILE A 602 10.036 -46.005 -14.110 1.00 4.45 H new ATOM 0 HD13 ILE A 602 10.768 -46.142 -12.494 1.00 4.45 H new ATOM 1145 N VAL A 603 10.577 -50.983 -12.588 1.00 2.34 N ATOM 1146 CA VAL A 603 10.577 -52.444 -12.496 1.00 10.52 C ATOM 1147 C VAL A 603 10.538 -53.010 -13.923 1.00 52.21 C ATOM 1148 O VAL A 603 9.951 -52.409 -14.819 1.00 12.34 O ATOM 1149 CB VAL A 603 9.364 -52.918 -11.645 1.00 52.23 C ATOM 1150 CG1 VAL A 603 9.317 -54.438 -11.511 1.00 52.40 C ATOM 1151 CG2 VAL A 603 9.429 -52.300 -10.224 1.00 34.44 C ATOM 0 H VAL A 603 9.645 -50.569 -12.620 1.00 2.34 H new ATOM 0 HA VAL A 603 11.477 -52.807 -11.999 1.00 10.52 H new ATOM 0 HB VAL A 603 8.465 -52.586 -12.164 1.00 52.23 H new ATOM 0 HG11 VAL A 603 8.454 -54.724 -10.909 1.00 52.40 H new ATOM 0 HG12 VAL A 603 9.234 -54.888 -12.500 1.00 52.40 H new ATOM 0 HG13 VAL A 603 10.229 -54.789 -11.028 1.00 52.40 H new ATOM 0 HG21 VAL A 603 8.574 -52.640 -9.640 1.00 34.44 H new ATOM 0 HG22 VAL A 603 10.351 -52.612 -9.733 1.00 34.44 H new ATOM 0 HG23 VAL A 603 9.408 -51.213 -10.299 1.00 34.44 H new ATOM 1295 N GLU A 612 3.391 -47.049 -20.811 1.00 42.04 N ATOM 1296 CA GLU A 612 2.910 -46.916 -19.438 1.00 34.21 C ATOM 1297 C GLU A 612 3.324 -45.524 -18.943 1.00 30.02 C ATOM 1298 O GLU A 612 4.174 -44.892 -19.564 1.00 40.13 O ATOM 1299 CB GLU A 612 3.504 -48.064 -18.606 1.00 1.25 C ATOM 1300 CG GLU A 612 2.705 -48.494 -17.374 1.00 31.23 C ATOM 1301 CD GLU A 612 1.343 -49.139 -17.714 1.00 52.13 C ATOM 1302 OE1 GLU A 612 0.440 -48.428 -18.214 1.00 10.42 O ATOM 1303 OE2 GLU A 612 1.165 -50.361 -17.471 1.00 42.30 O ATOM 0 HA GLU A 612 1.826 -46.992 -19.354 1.00 34.21 H new ATOM 0 HB2 GLU A 612 3.623 -48.931 -19.256 1.00 1.25 H new ATOM 0 HB3 GLU A 612 4.502 -47.770 -18.281 1.00 1.25 H new ATOM 0 HG2 GLU A 612 3.298 -49.202 -16.795 1.00 31.23 H new ATOM 0 HG3 GLU A 612 2.537 -47.624 -16.738 1.00 31.23 H new ATOM 1310 N ASN A 613 2.675 -44.993 -17.913 1.00 64.42 N ATOM 1311 CA ASN A 613 2.869 -43.590 -17.521 1.00 35.14 C ATOM 1312 C ASN A 613 2.737 -43.374 -16.025 1.00 50.55 C ATOM 1313 O ASN A 613 1.787 -43.839 -15.391 1.00 65.40 O ATOM 1314 CB ASN A 613 1.835 -42.750 -18.255 1.00 5.52 C ATOM 1315 CG ASN A 613 1.230 -41.675 -17.409 1.00 52.30 C ATOM 1316 OD1 ASN A 613 0.124 -41.813 -16.915 1.00 64.01 O ATOM 1317 ND2 ASN A 613 1.919 -40.587 -17.274 1.00 14.21 N ATOM 0 H ASN A 613 2.011 -45.505 -17.332 1.00 64.42 H new ATOM 0 HA ASN A 613 3.884 -43.296 -17.788 1.00 35.14 H new ATOM 0 HB2 ASN A 613 2.302 -42.294 -19.128 1.00 5.52 H new ATOM 0 HB3 ASN A 613 1.042 -43.402 -18.621 1.00 5.52 H new ATOM 0 HD21 ASN A 613 1.540 -39.806 -16.739 1.00 14.21 H new ATOM 0 HD22 ASN A 613 2.841 -40.511 -17.703 1.00 14.21 H new ATOM 1324 N PHE A 614 3.657 -42.605 -15.466 1.00 75.15 N ATOM 1325 CA PHE A 614 3.523 -42.237 -14.055 1.00 2.52 C ATOM 1326 C PHE A 614 4.045 -40.836 -13.841 1.00 21.12 C ATOM 1327 O PHE A 614 4.537 -40.240 -14.769 1.00 34.00 O ATOM 1328 CB PHE A 614 4.183 -43.289 -13.142 1.00 14.02 C ATOM 1329 CG PHE A 614 5.655 -43.078 -12.868 1.00 4.20 C ATOM 1330 CD1 PHE A 614 6.648 -43.628 -13.703 1.00 24.55 C ATOM 1331 CD2 PHE A 614 6.059 -42.380 -11.721 1.00 1.15 C ATOM 1332 CE1 PHE A 614 8.020 -43.516 -13.359 1.00 74.04 C ATOM 1333 CE2 PHE A 614 7.426 -42.243 -11.394 1.00 53.41 C ATOM 1334 CZ PHE A 614 8.399 -42.823 -12.206 1.00 51.52 C ATOM 0 H PHE A 614 4.479 -42.232 -15.942 1.00 75.15 H new ATOM 0 HA PHE A 614 2.469 -42.229 -13.776 1.00 2.52 H new ATOM 0 HB2 PHE A 614 3.652 -43.304 -12.190 1.00 14.02 H new ATOM 0 HB3 PHE A 614 4.052 -44.272 -13.595 1.00 14.02 H new ATOM 0 HD1 PHE A 614 6.363 -44.138 -14.611 1.00 24.55 H new ATOM 0 HD2 PHE A 614 5.312 -41.940 -11.077 1.00 1.15 H new ATOM 0 HE1 PHE A 614 8.772 -43.967 -13.989 1.00 74.04 H new ATOM 0 HE2 PHE A 614 7.718 -41.689 -10.514 1.00 53.41 H new ATOM 0 HZ PHE A 614 9.443 -42.737 -11.945 1.00 51.52 H new ATOM 1344 N PHE A 615 3.893 -40.276 -12.656 1.00 71.31 N ATOM 1345 CA PHE A 615 4.404 -38.941 -12.363 1.00 24.44 C ATOM 1346 C PHE A 615 4.795 -38.860 -10.894 1.00 14.32 C ATOM 1347 O PHE A 615 4.478 -39.744 -10.117 1.00 63.44 O ATOM 1348 CB PHE A 615 3.380 -37.840 -12.684 1.00 45.44 C ATOM 1349 CG PHE A 615 1.988 -38.334 -12.995 1.00 73.11 C ATOM 1350 CD1 PHE A 615 1.686 -38.852 -14.260 1.00 63.31 C ATOM 1351 CD2 PHE A 615 0.959 -38.234 -12.045 1.00 5.31 C ATOM 1352 CE1 PHE A 615 0.388 -39.289 -14.581 1.00 34.20 C ATOM 1353 CE2 PHE A 615 -0.358 -38.664 -12.357 1.00 33.11 C ATOM 1354 CZ PHE A 615 -0.637 -39.197 -13.626 1.00 54.15 C ATOM 0 H PHE A 615 3.417 -40.724 -11.873 1.00 71.31 H new ATOM 0 HA PHE A 615 5.273 -38.774 -12.999 1.00 24.44 H new ATOM 0 HB2 PHE A 615 3.326 -37.157 -11.836 1.00 45.44 H new ATOM 0 HB3 PHE A 615 3.743 -37.264 -13.535 1.00 45.44 H new ATOM 0 HD1 PHE A 615 2.465 -38.917 -15.005 1.00 63.31 H new ATOM 0 HD2 PHE A 615 1.171 -37.826 -11.068 1.00 5.31 H new ATOM 0 HE1 PHE A 615 0.180 -39.695 -15.560 1.00 34.20 H new ATOM 0 HE2 PHE A 615 -1.143 -38.581 -11.620 1.00 33.11 H new ATOM 0 HZ PHE A 615 -1.635 -39.534 -13.866 1.00 54.15 H new ATOM 1364 N ILE A 616 5.490 -37.801 -10.504 1.00 54.03 N ATOM 1365 CA ILE A 616 5.891 -37.622 -9.110 1.00 51.25 C ATOM 1366 C ILE A 616 5.486 -36.234 -8.690 1.00 34.31 C ATOM 1367 O ILE A 616 5.940 -35.263 -9.267 1.00 11.41 O ATOM 1368 CB ILE A 616 7.423 -37.725 -8.932 1.00 52.40 C ATOM 1369 CG1 ILE A 616 7.966 -39.030 -9.534 1.00 42.15 C ATOM 1370 CG2 ILE A 616 7.811 -37.633 -7.434 1.00 21.24 C ATOM 1371 CD1 ILE A 616 9.356 -38.887 -10.052 1.00 21.34 C ATOM 0 H ILE A 616 5.789 -37.053 -11.129 1.00 54.03 H new ATOM 0 HA ILE A 616 5.415 -38.401 -8.515 1.00 51.25 H new ATOM 0 HB ILE A 616 7.872 -36.887 -9.464 1.00 52.40 H new ATOM 0 HG12 ILE A 616 7.943 -39.813 -8.776 1.00 42.15 H new ATOM 0 HG13 ILE A 616 7.312 -39.352 -10.344 1.00 42.15 H new ATOM 0 HG21 ILE A 616 8.894 -37.708 -7.333 1.00 21.24 H new ATOM 0 HG22 ILE A 616 7.474 -36.679 -7.029 1.00 21.24 H new ATOM 0 HG23 ILE A 616 7.338 -38.448 -6.885 1.00 21.24 H new ATOM 0 HD11 ILE A 616 9.690 -39.839 -10.466 1.00 21.34 H new ATOM 0 HD12 ILE A 616 9.377 -38.125 -10.831 1.00 21.34 H new ATOM 0 HD13 ILE A 616 10.019 -38.593 -9.238 1.00 21.34 H new ATOM 1383 N ALA A 617 4.635 -36.137 -7.687 1.00 72.25 N ATOM 1384 CA ALA A 617 4.189 -34.841 -7.190 1.00 33.34 C ATOM 1385 C ALA A 617 4.879 -34.621 -5.838 1.00 51.34 C ATOM 1386 O ALA A 617 5.037 -35.577 -5.068 1.00 54.10 O ATOM 1387 CB ALA A 617 2.660 -34.837 -7.021 1.00 33.43 C ATOM 0 H ALA A 617 4.236 -36.938 -7.197 1.00 72.25 H new ATOM 0 HA ALA A 617 4.445 -34.044 -7.888 1.00 33.34 H new ATOM 0 HB1 ALA A 617 2.338 -33.864 -6.649 1.00 33.43 H new ATOM 0 HB2 ALA A 617 2.187 -35.033 -7.983 1.00 33.43 H new ATOM 0 HB3 ALA A 617 2.370 -35.611 -6.310 1.00 33.43 H new ATOM 1393 N LEU A 618 5.263 -33.393 -5.523 1.00 12.22 N ATOM 1394 CA LEU A 618 5.774 -33.093 -4.191 1.00 72.22 C ATOM 1395 C LEU A 618 4.590 -33.009 -3.245 1.00 2.21 C ATOM 1396 O LEU A 618 3.480 -32.705 -3.662 1.00 42.54 O ATOM 1397 CB LEU A 618 6.558 -31.771 -4.171 1.00 35.41 C ATOM 1398 CG LEU A 618 7.850 -31.682 -5.013 1.00 12.02 C ATOM 1399 CD1 LEU A 618 8.608 -32.989 -5.044 1.00 22.52 C ATOM 1400 CD2 LEU A 618 7.561 -31.160 -6.392 1.00 2.23 C ATOM 0 H LEU A 618 5.232 -32.597 -6.160 1.00 12.22 H new ATOM 0 HA LEU A 618 6.462 -33.880 -3.883 1.00 72.22 H new ATOM 0 HB2 LEU A 618 5.887 -30.980 -4.504 1.00 35.41 H new ATOM 0 HB3 LEU A 618 6.819 -31.553 -3.135 1.00 35.41 H new ATOM 0 HG LEU A 618 8.508 -30.964 -4.522 1.00 12.02 H new ATOM 0 HD11 LEU A 618 9.508 -32.874 -5.649 1.00 22.52 H new ATOM 0 HD12 LEU A 618 8.887 -33.272 -4.029 1.00 22.52 H new ATOM 0 HD13 LEU A 618 7.977 -33.765 -5.477 1.00 22.52 H new ATOM 0 HD21 LEU A 618 8.488 -31.108 -6.963 1.00 2.23 H new ATOM 0 HD22 LEU A 618 6.862 -31.828 -6.895 1.00 2.23 H new ATOM 0 HD23 LEU A 618 7.123 -30.165 -6.320 1.00 2.23 H new ATOM 1412 N GLY A 619 4.843 -33.275 -1.971 1.00 70.51 N ATOM 1413 CA GLY A 619 3.807 -33.180 -0.956 1.00 61.23 C ATOM 1414 C GLY A 619 3.501 -31.724 -0.670 1.00 32.05 C ATOM 1415 O GLY A 619 2.594 -31.126 -1.231 1.00 74.42 O ATOM 0 H GLY A 619 5.757 -33.558 -1.617 1.00 70.51 H new ATOM 0 HA2 GLY A 619 2.906 -33.691 -1.294 1.00 61.23 H new ATOM 0 HA3 GLY A 619 4.133 -33.679 -0.043 1.00 61.23 H new ATOM 1419 N GLU A 620 4.327 -31.133 0.177 1.00 24.33 N ATOM 1420 CA GLU A 620 4.257 -29.710 0.473 1.00 73.02 C ATOM 1421 C GLU A 620 5.630 -29.336 1.032 1.00 11.12 C ATOM 1422 O GLU A 620 6.187 -30.050 1.869 1.00 34.03 O ATOM 1423 CB GLU A 620 3.121 -29.374 1.474 1.00 25.24 C ATOM 1424 CG GLU A 620 3.454 -29.619 2.948 1.00 63.03 C ATOM 1425 CD GLU A 620 2.311 -29.288 3.893 1.00 52.20 C ATOM 1426 OE1 GLU A 620 1.834 -28.127 3.890 1.00 5.13 O ATOM 1427 OE2 GLU A 620 1.953 -30.164 4.711 1.00 20.00 O ATOM 0 H GLU A 620 5.066 -31.625 0.679 1.00 24.33 H new ATOM 0 HA GLU A 620 4.020 -29.137 -0.423 1.00 73.02 H new ATOM 0 HB2 GLU A 620 2.848 -28.326 1.350 1.00 25.24 H new ATOM 0 HB3 GLU A 620 2.243 -29.965 1.214 1.00 25.24 H new ATOM 0 HG2 GLU A 620 3.732 -30.665 3.080 1.00 63.03 H new ATOM 0 HG3 GLU A 620 4.324 -29.021 3.220 1.00 63.03 H new ATOM 1434 N PRO A 621 6.239 -28.266 0.522 1.00 73.05 N ATOM 1435 CA PRO A 621 7.527 -27.893 1.103 1.00 61.05 C ATOM 1436 C PRO A 621 7.333 -27.327 2.519 1.00 54.14 C ATOM 1437 O PRO A 621 6.403 -26.562 2.773 1.00 50.43 O ATOM 1438 CB PRO A 621 8.045 -26.856 0.106 1.00 32.24 C ATOM 1439 CG PRO A 621 6.798 -26.227 -0.441 1.00 21.44 C ATOM 1440 CD PRO A 621 5.846 -27.362 -0.572 1.00 31.23 C ATOM 0 HA PRO A 621 8.225 -28.719 1.237 1.00 61.05 H new ATOM 0 HB2 PRO A 621 8.684 -26.119 0.592 1.00 32.24 H new ATOM 0 HB3 PRO A 621 8.637 -27.321 -0.682 1.00 32.24 H new ATOM 0 HG2 PRO A 621 6.412 -25.459 0.229 1.00 21.44 H new ATOM 0 HG3 PRO A 621 6.982 -25.748 -1.403 1.00 21.44 H new ATOM 0 HD2 PRO A 621 4.812 -27.033 -0.469 1.00 31.23 H new ATOM 0 HD3 PRO A 621 5.931 -27.847 -1.544 1.00 31.23 H new ATOM 1448 N LYS A 622 8.179 -27.739 3.453 1.00 21.34 N ATOM 1449 CA LYS A 622 8.048 -27.338 4.862 1.00 60.14 C ATOM 1450 C LYS A 622 9.359 -26.755 5.337 1.00 24.24 C ATOM 1451 O LYS A 622 10.409 -27.288 5.058 1.00 62.33 O ATOM 1452 CB LYS A 622 7.691 -28.556 5.719 1.00 10.34 C ATOM 1453 CG LYS A 622 6.331 -29.168 5.372 1.00 3.25 C ATOM 1454 CD LYS A 622 6.091 -30.510 6.057 1.00 75.22 C ATOM 1455 CE LYS A 622 6.974 -31.606 5.452 1.00 54.15 C ATOM 1456 NZ LYS A 622 6.644 -32.960 5.993 1.00 73.54 N ATOM 0 H LYS A 622 8.971 -28.355 3.267 1.00 21.34 H new ATOM 0 HA LYS A 622 7.258 -26.593 4.954 1.00 60.14 H new ATOM 0 HB2 LYS A 622 8.464 -29.315 5.598 1.00 10.34 H new ATOM 0 HB3 LYS A 622 7.692 -28.265 6.769 1.00 10.34 H new ATOM 0 HG2 LYS A 622 5.542 -28.473 5.659 1.00 3.25 H new ATOM 0 HG3 LYS A 622 6.262 -29.300 4.292 1.00 3.25 H new ATOM 0 HD2 LYS A 622 6.298 -30.419 7.123 1.00 75.22 H new ATOM 0 HD3 LYS A 622 5.042 -30.789 5.959 1.00 75.22 H new ATOM 0 HE2 LYS A 622 6.854 -31.610 4.369 1.00 54.15 H new ATOM 0 HE3 LYS A 622 8.021 -31.381 5.656 1.00 54.15 H new ATOM 0 HZ1 LYS A 622 7.386 -33.634 5.718 1.00 73.54 H new ATOM 0 HZ2 LYS A 622 6.585 -32.914 7.030 1.00 73.54 H new ATOM 0 HZ3 LYS A 622 5.731 -33.275 5.608 1.00 73.54 H new ATOM 1470 N TRP A 623 9.309 -25.671 6.080 1.00 34.21 N ATOM 1471 CA TRP A 623 10.520 -24.965 6.484 1.00 41.34 C ATOM 1472 C TRP A 623 11.108 -25.605 7.698 1.00 22.24 C ATOM 1473 O TRP A 623 10.568 -25.460 8.796 1.00 33.31 O ATOM 1474 CB TRP A 623 10.139 -23.544 6.851 1.00 54.11 C ATOM 1475 CG TRP A 623 11.173 -22.550 6.628 1.00 23.43 C ATOM 1476 CD1 TRP A 623 12.398 -22.691 6.052 1.00 2.35 C ATOM 1477 CD2 TRP A 623 11.082 -21.190 7.010 1.00 42.12 C ATOM 1478 NE1 TRP A 623 13.048 -21.492 5.992 1.00 55.40 N ATOM 1479 CE2 TRP A 623 12.260 -20.535 6.558 1.00 71.53 C ATOM 1480 CE3 TRP A 623 10.138 -20.462 7.741 1.00 52.20 C ATOM 1481 CZ2 TRP A 623 12.481 -19.162 6.760 1.00 13.35 C ATOM 1482 CZ3 TRP A 623 10.363 -19.136 8.007 1.00 42.03 C ATOM 1483 CH2 TRP A 623 11.524 -18.456 7.477 1.00 34.14 C ATOM 0 H TRP A 623 8.443 -25.253 6.421 1.00 34.21 H new ATOM 0 HA TRP A 623 11.241 -24.991 5.667 1.00 41.34 H new ATOM 0 HB2 TRP A 623 9.256 -23.262 6.277 1.00 54.11 H new ATOM 0 HB3 TRP A 623 9.856 -23.521 7.903 1.00 54.11 H new ATOM 0 HD1 TRP A 623 12.801 -23.625 5.691 1.00 2.35 H new ATOM 0 HE1 TRP A 623 13.972 -21.338 5.589 1.00 55.40 H new ATOM 0 HE3 TRP A 623 9.237 -20.941 8.094 1.00 52.20 H new ATOM 0 HZ2 TRP A 623 13.363 -18.674 6.372 1.00 13.35 H new ATOM 0 HZ3 TRP A 623 9.662 -18.591 8.622 1.00 42.03 H new ATOM 0 HH2 TRP A 623 11.647 -17.395 7.639 1.00 34.14 H new ATOM 1494 N MET A 624 12.238 -26.283 7.552 1.00 35.42 N ATOM 1495 CA MET A 624 12.939 -26.592 8.752 1.00 33.43 C ATOM 1496 C MET A 624 14.364 -26.095 8.776 1.00 1.21 C ATOM 1497 O MET A 624 15.350 -26.815 8.904 1.00 61.13 O ATOM 1498 CB MET A 624 13.185 -28.041 8.581 1.00 31.41 C ATOM 1499 CG MET A 624 12.006 -28.947 8.250 1.00 35.05 C ATOM 1500 SD MET A 624 10.902 -29.262 9.611 1.00 24.42 S ATOM 1501 CE MET A 624 10.057 -30.667 8.918 1.00 13.12 C ATOM 0 H MET A 624 12.652 -26.602 6.676 1.00 35.42 H new ATOM 0 HA MET A 624 12.381 -26.201 9.603 1.00 33.43 H new ATOM 0 HB2 MET A 624 13.926 -28.160 7.790 1.00 31.41 H new ATOM 0 HB3 MET A 624 13.638 -28.411 9.501 1.00 31.41 H new ATOM 0 HG2 MET A 624 11.438 -28.497 7.436 1.00 35.05 H new ATOM 0 HG3 MET A 624 12.389 -29.899 7.883 1.00 35.05 H new ATOM 0 HE1 MET A 624 9.308 -31.026 9.624 1.00 13.12 H new ATOM 0 HE2 MET A 624 9.568 -30.376 7.988 1.00 13.12 H new ATOM 0 HE3 MET A 624 10.776 -31.461 8.717 1.00 13.12 H new ATOM 1511 N GLU A 625 14.371 -24.858 9.114 1.00 73.22 N ATOM 1512 CA GLU A 625 15.359 -24.166 9.877 1.00 14.14 C ATOM 1513 C GLU A 625 14.528 -23.086 10.486 1.00 61.52 C ATOM 1514 O GLU A 625 14.782 -22.063 10.030 1.00 24.52 O ATOM 1515 CB GLU A 625 16.261 -23.574 8.789 1.00 13.40 C ATOM 1516 CG GLU A 625 17.355 -22.558 9.161 1.00 4.22 C ATOM 1517 CD GLU A 625 18.742 -22.984 8.711 1.00 73.45 C ATOM 1518 OE1 GLU A 625 18.940 -23.171 7.488 1.00 41.31 O ATOM 1519 OE2 GLU A 625 19.641 -23.092 9.563 1.00 42.40 O ATOM 0 H GLU A 625 13.610 -24.237 8.838 1.00 73.22 H new ATOM 0 HA GLU A 625 15.941 -24.717 10.615 1.00 14.14 H new ATOM 0 HB2 GLU A 625 16.751 -24.408 8.286 1.00 13.40 H new ATOM 0 HB3 GLU A 625 15.612 -23.096 8.055 1.00 13.40 H new ATOM 0 HG2 GLU A 625 17.114 -21.594 8.713 1.00 4.22 H new ATOM 0 HG3 GLU A 625 17.358 -22.416 10.242 1.00 4.22 H new ATOM 1526 N ARG A 626 13.880 -23.114 11.636 1.00 70.13 N ATOM 1527 CA ARG A 626 13.087 -21.915 12.133 1.00 11.40 C ATOM 1528 C ARG A 626 12.179 -22.401 13.239 1.00 32.43 C ATOM 1529 O ARG A 626 12.118 -21.812 14.302 1.00 23.25 O ATOM 1530 CB ARG A 626 12.130 -21.115 11.090 1.00 34.20 C ATOM 1531 CG ARG A 626 12.753 -20.352 9.929 1.00 15.22 C ATOM 1532 CD ARG A 626 13.808 -19.314 10.349 1.00 43.40 C ATOM 1533 NE ARG A 626 13.229 -18.186 11.107 1.00 24.44 N ATOM 1534 CZ ARG A 626 13.932 -17.242 11.722 1.00 24.30 C ATOM 1535 NH1 ARG A 626 15.245 -17.246 11.724 1.00 55.25 N ATOM 1536 NH2 ARG A 626 13.322 -16.279 12.344 1.00 52.52 N ATOM 0 H ARG A 626 13.863 -23.920 12.261 1.00 70.13 H new ATOM 0 HA ARG A 626 13.862 -21.199 12.407 1.00 11.40 H new ATOM 0 HB2 ARG A 626 11.432 -21.838 10.668 1.00 34.20 H new ATOM 0 HB3 ARG A 626 11.541 -20.404 11.669 1.00 34.20 H new ATOM 0 HG2 ARG A 626 13.214 -21.065 9.246 1.00 15.22 H new ATOM 0 HG3 ARG A 626 11.962 -19.846 9.376 1.00 15.22 H new ATOM 0 HD2 ARG A 626 14.570 -19.802 10.957 1.00 43.40 H new ATOM 0 HD3 ARG A 626 14.308 -18.930 9.460 1.00 43.40 H new ATOM 0 HE ARG A 626 12.212 -18.128 11.162 1.00 24.44 H new ATOM 0 HH11 ARG A 626 15.753 -17.989 11.244 1.00 55.25 H new ATOM 0 HH12 ARG A 626 15.757 -16.507 12.206 1.00 55.25 H new ATOM 0 HH21 ARG A 626 12.303 -16.248 12.360 1.00 52.52 H new ATOM 0 HH22 ARG A 626 13.862 -15.554 12.816 1.00 52.52 H new ATOM 1916 N GLY A 650 6.812 -17.786 7.147 1.00 55.24 N ATOM 1917 CA GLY A 650 7.786 -17.887 6.063 1.00 72.52 C ATOM 1918 C GLY A 650 7.614 -19.041 5.090 1.00 45.40 C ATOM 1919 O GLY A 650 8.555 -19.391 4.373 1.00 32.11 O ATOM 0 HA2 GLY A 650 7.759 -16.957 5.495 1.00 72.52 H new ATOM 0 HA3 GLY A 650 8.779 -17.961 6.505 1.00 72.52 H new ATOM 1923 N LYS A 651 6.461 -19.692 5.131 1.00 72.11 N ATOM 1924 CA LYS A 651 6.272 -20.969 4.451 1.00 54.22 C ATOM 1925 C LYS A 651 6.529 -20.929 2.948 1.00 71.22 C ATOM 1926 O LYS A 651 5.968 -20.093 2.236 1.00 33.53 O ATOM 1927 CB LYS A 651 4.846 -21.481 4.656 1.00 54.42 C ATOM 1928 CG LYS A 651 4.534 -21.892 6.084 1.00 21.34 C ATOM 1929 CD LYS A 651 3.412 -22.942 6.138 1.00 75.53 C ATOM 1930 CE LYS A 651 2.064 -22.396 5.660 1.00 43.22 C ATOM 1931 NZ LYS A 651 0.998 -23.462 5.727 1.00 32.22 N ATOM 0 H LYS A 651 5.637 -19.357 5.630 1.00 72.11 H new ATOM 0 HA LYS A 651 7.013 -21.630 4.901 1.00 54.22 H new ATOM 0 HB2 LYS A 651 4.145 -20.704 4.352 1.00 54.42 H new ATOM 0 HB3 LYS A 651 4.680 -22.335 3.999 1.00 54.42 H new ATOM 0 HG2 LYS A 651 5.432 -22.294 6.552 1.00 21.34 H new ATOM 0 HG3 LYS A 651 4.240 -21.014 6.660 1.00 21.34 H new ATOM 0 HD2 LYS A 651 3.691 -23.797 5.522 1.00 75.53 H new ATOM 0 HD3 LYS A 651 3.310 -23.305 7.161 1.00 75.53 H new ATOM 0 HE2 LYS A 651 1.773 -21.545 6.276 1.00 43.22 H new ATOM 0 HE3 LYS A 651 2.156 -22.032 4.637 1.00 43.22 H new ATOM 0 HZ1 LYS A 651 0.093 -23.069 5.398 1.00 32.22 H new ATOM 0 HZ2 LYS A 651 1.269 -24.262 5.120 1.00 32.22 H new ATOM 0 HZ3 LYS A 651 0.897 -23.790 6.709 1.00 32.22 H new ATOM 1945 N PRO A 652 7.331 -21.883 2.440 1.00 54.03 N ATOM 1946 CA PRO A 652 7.486 -22.003 0.991 1.00 61.30 C ATOM 1947 C PRO A 652 6.221 -22.559 0.366 1.00 31.34 C ATOM 1948 O PRO A 652 5.364 -23.113 1.054 1.00 14.31 O ATOM 1949 CB PRO A 652 8.629 -23.007 0.854 1.00 24.40 C ATOM 1950 CG PRO A 652 8.512 -23.832 2.057 1.00 35.31 C ATOM 1951 CD PRO A 652 8.098 -22.930 3.143 1.00 53.45 C ATOM 0 HA PRO A 652 7.680 -21.051 0.497 1.00 61.30 H new ATOM 0 HB2 PRO A 652 8.531 -23.604 -0.052 1.00 24.40 H new ATOM 0 HB3 PRO A 652 9.597 -22.508 0.803 1.00 24.40 H new ATOM 0 HG2 PRO A 652 7.780 -24.627 1.913 1.00 35.31 H new ATOM 0 HG3 PRO A 652 9.462 -24.312 2.292 1.00 35.31 H new ATOM 0 HD2 PRO A 652 7.488 -23.446 3.884 1.00 53.45 H new ATOM 0 HD3 PRO A 652 8.957 -22.514 3.670 1.00 53.45 H new ATOM 1959 N VAL A 653 6.126 -22.430 -0.944 1.00 24.33 N ATOM 1960 CA VAL A 653 4.974 -22.952 -1.694 1.00 24.22 C ATOM 1961 C VAL A 653 5.432 -23.705 -2.949 1.00 74.52 C ATOM 1962 O VAL A 653 6.607 -23.662 -3.326 1.00 54.01 O ATOM 1963 CB VAL A 653 3.952 -21.819 -2.074 1.00 5.31 C ATOM 1964 CG1 VAL A 653 3.369 -21.169 -0.807 1.00 44.24 C ATOM 1965 CG2 VAL A 653 4.589 -20.748 -2.951 1.00 31.13 C ATOM 0 H VAL A 653 6.829 -21.969 -1.522 1.00 24.33 H new ATOM 0 HA VAL A 653 4.457 -23.651 -1.036 1.00 24.22 H new ATOM 0 HB VAL A 653 3.151 -22.290 -2.643 1.00 5.31 H new ATOM 0 HG11 VAL A 653 2.664 -20.387 -1.090 1.00 44.24 H new ATOM 0 HG12 VAL A 653 2.854 -21.925 -0.214 1.00 44.24 H new ATOM 0 HG13 VAL A 653 4.176 -20.733 -0.217 1.00 44.24 H new ATOM 0 HG21 VAL A 653 3.848 -19.985 -3.190 1.00 31.13 H new ATOM 0 HG22 VAL A 653 5.423 -20.290 -2.419 1.00 31.13 H new ATOM 0 HG23 VAL A 653 4.953 -21.202 -3.873 1.00 31.13 H new ATOM 1975 N LEU A 654 4.504 -24.430 -3.560 1.00 54.44 N ATOM 1976 CA LEU A 654 4.783 -25.219 -4.761 1.00 62.35 C ATOM 1977 C LEU A 654 4.909 -24.288 -5.967 1.00 61.20 C ATOM 1978 O LEU A 654 4.369 -23.185 -5.965 1.00 51.10 O ATOM 1979 CB LEU A 654 3.646 -26.231 -5.024 1.00 63.02 C ATOM 1980 CG LEU A 654 3.443 -27.448 -4.088 1.00 72.04 C ATOM 1981 CD1 LEU A 654 4.726 -28.271 -3.972 1.00 34.34 C ATOM 1982 CD2 LEU A 654 2.919 -27.069 -2.703 1.00 52.23 C ATOM 0 H LEU A 654 3.537 -24.490 -3.241 1.00 54.44 H new ATOM 0 HA LEU A 654 5.715 -25.763 -4.608 1.00 62.35 H new ATOM 0 HB2 LEU A 654 2.711 -25.670 -5.029 1.00 63.02 H new ATOM 0 HB3 LEU A 654 3.789 -26.621 -6.032 1.00 63.02 H new ATOM 0 HG LEU A 654 2.669 -28.059 -4.553 1.00 72.04 H new ATOM 0 HD11 LEU A 654 4.555 -29.119 -3.309 1.00 34.34 H new ATOM 0 HD12 LEU A 654 5.016 -28.634 -4.958 1.00 34.34 H new ATOM 0 HD13 LEU A 654 5.523 -27.648 -3.566 1.00 34.34 H new ATOM 0 HD21 LEU A 654 2.800 -27.969 -2.100 1.00 52.23 H new ATOM 0 HD22 LEU A 654 3.627 -26.398 -2.217 1.00 52.23 H new ATOM 0 HD23 LEU A 654 1.955 -26.569 -2.803 1.00 52.23 H new ATOM 1994 N GLY A 655 5.640 -24.739 -6.979 1.00 15.23 N ATOM 1995 CA GLY A 655 5.875 -23.936 -8.171 1.00 70.23 C ATOM 1996 C GLY A 655 4.940 -24.127 -9.334 1.00 70.31 C ATOM 1997 O GLY A 655 3.817 -24.593 -9.203 1.00 33.21 O ATOM 0 H GLY A 655 6.081 -25.659 -6.997 1.00 15.23 H new ATOM 0 HA2 GLY A 655 5.841 -22.886 -7.881 1.00 70.23 H new ATOM 0 HA3 GLY A 655 6.888 -24.138 -8.518 1.00 70.23 H new ATOM 2001 N GLU A 656 5.440 -23.738 -10.495 1.00 31.11 N ATOM 2002 CA GLU A 656 4.705 -23.808 -11.749 1.00 73.22 C ATOM 2003 C GLU A 656 4.702 -25.234 -12.300 1.00 74.02 C ATOM 2004 O GLU A 656 3.756 -25.649 -12.956 1.00 41.55 O ATOM 2005 CB GLU A 656 5.357 -22.870 -12.777 1.00 21.44 C ATOM 2006 CG GLU A 656 5.615 -21.442 -12.271 1.00 51.03 C ATOM 2007 CD GLU A 656 7.053 -21.234 -11.767 1.00 12.24 C ATOM 2008 OE1 GLU A 656 7.602 -22.136 -11.083 1.00 21.15 O ATOM 2009 OE2 GLU A 656 7.635 -20.171 -12.065 1.00 15.11 O ATOM 0 H GLU A 656 6.382 -23.359 -10.595 1.00 31.11 H new ATOM 0 HA GLU A 656 3.675 -23.503 -11.563 1.00 73.22 H new ATOM 0 HB2 GLU A 656 6.304 -23.305 -13.095 1.00 21.44 H new ATOM 0 HB3 GLU A 656 4.718 -22.819 -13.658 1.00 21.44 H new ATOM 0 HG2 GLU A 656 5.412 -20.735 -13.075 1.00 51.03 H new ATOM 0 HG3 GLU A 656 4.917 -21.216 -11.465 1.00 51.03 H new ATOM 2016 N HIS A 657 5.766 -25.980 -12.017 1.00 53.04 N ATOM 2017 CA HIS A 657 5.888 -27.382 -12.459 1.00 42.34 C ATOM 2018 C HIS A 657 6.297 -28.327 -11.325 1.00 1.34 C ATOM 2019 O HIS A 657 7.344 -28.946 -11.380 1.00 52.23 O ATOM 2020 CB HIS A 657 6.944 -27.486 -13.576 1.00 25.32 C ATOM 2021 CG HIS A 657 6.813 -26.439 -14.631 1.00 2.20 C ATOM 2022 ND1 HIS A 657 6.138 -26.635 -15.832 1.00 71.40 N ATOM 2023 CD2 HIS A 657 7.277 -25.162 -14.702 1.00 73.15 C ATOM 2024 CE1 HIS A 657 6.214 -25.532 -16.556 1.00 13.32 C ATOM 2025 NE2 HIS A 657 6.891 -24.631 -15.894 1.00 15.21 N ATOM 0 H HIS A 657 6.565 -25.642 -11.481 1.00 53.04 H new ATOM 0 HA HIS A 657 4.903 -27.683 -12.816 1.00 42.34 H new ATOM 0 HB2 HIS A 657 7.937 -27.418 -13.131 1.00 25.32 H new ATOM 0 HB3 HIS A 657 6.870 -28.469 -14.042 1.00 25.32 H new ATOM 0 HD1 HIS A 657 5.661 -27.493 -16.109 1.00 71.40 H new ATOM 0 HD2 HIS A 657 7.854 -24.656 -13.942 1.00 73.15 H new ATOM 0 HE1 HIS A 657 5.785 -25.397 -17.538 1.00 13.32 H new ATOM 2033 N PRO A 658 5.491 -28.436 -10.259 1.00 44.24 N ATOM 2034 CA PRO A 658 5.837 -29.313 -9.133 1.00 55.01 C ATOM 2035 C PRO A 658 5.559 -30.803 -9.395 1.00 4.03 C ATOM 2036 O PRO A 658 5.235 -31.566 -8.479 1.00 41.40 O ATOM 2037 CB PRO A 658 4.948 -28.770 -8.024 1.00 74.34 C ATOM 2038 CG PRO A 658 3.744 -28.313 -8.734 1.00 32.30 C ATOM 2039 CD PRO A 658 4.230 -27.724 -10.007 1.00 25.03 C ATOM 0 HA PRO A 658 6.904 -29.297 -8.911 1.00 55.01 H new ATOM 0 HB2 PRO A 658 4.711 -29.539 -7.288 1.00 74.34 H new ATOM 0 HB3 PRO A 658 5.431 -27.953 -7.488 1.00 74.34 H new ATOM 0 HG2 PRO A 658 3.061 -29.142 -8.921 1.00 32.30 H new ATOM 0 HG3 PRO A 658 3.197 -27.577 -8.145 1.00 32.30 H new ATOM 0 HD2 PRO A 658 3.516 -27.875 -10.817 1.00 25.03 H new ATOM 0 HD3 PRO A 658 4.388 -26.649 -9.917 1.00 25.03 H new ATOM 2047 N LYS A 659 5.666 -31.201 -10.652 1.00 0.45 N ATOM 2048 CA LYS A 659 5.463 -32.582 -11.069 1.00 13.21 C ATOM 2049 C LYS A 659 6.119 -32.762 -12.421 1.00 35.34 C ATOM 2050 O LYS A 659 6.221 -31.811 -13.179 1.00 40.43 O ATOM 2051 CB LYS A 659 3.976 -32.869 -11.194 1.00 64.04 C ATOM 2052 CG LYS A 659 3.650 -34.344 -11.478 1.00 34.32 C ATOM 2053 CD LYS A 659 2.303 -34.734 -10.913 1.00 70.23 C ATOM 2054 CE LYS A 659 1.210 -34.121 -11.692 1.00 25.14 C ATOM 2055 NZ LYS A 659 1.095 -34.674 -13.132 1.00 41.20 N ATOM 0 H LYS A 659 5.898 -30.571 -11.420 1.00 0.45 H new ATOM 0 HA LYS A 659 5.895 -33.263 -10.336 1.00 13.21 H new ATOM 0 HB2 LYS A 659 3.479 -32.568 -10.272 1.00 64.04 H new ATOM 0 HB3 LYS A 659 3.563 -32.255 -11.994 1.00 64.04 H new ATOM 0 HG2 LYS A 659 3.659 -34.519 -12.554 1.00 34.32 H new ATOM 0 HG3 LYS A 659 4.424 -34.978 -11.046 1.00 34.32 H new ATOM 0 HD2 LYS A 659 2.199 -35.819 -10.924 1.00 70.23 H new ATOM 0 HD3 LYS A 659 2.235 -34.418 -9.872 1.00 70.23 H new ATOM 0 HE2 LYS A 659 0.267 -34.285 -11.171 1.00 25.14 H new ATOM 0 HE3 LYS A 659 1.366 -33.043 -11.736 1.00 25.14 H new ATOM 0 HZ1 LYS A 659 0.129 -34.521 -13.487 1.00 41.20 H new ATOM 0 HZ2 LYS A 659 1.772 -34.181 -13.748 1.00 41.20 H new ATOM 0 HZ3 LYS A 659 1.306 -35.692 -13.131 1.00 41.20 H new ATOM 2069 N LEU A 660 6.524 -33.986 -12.716 1.00 41.41 N ATOM 2070 CA LEU A 660 7.083 -34.350 -14.009 1.00 22.22 C ATOM 2071 C LEU A 660 6.398 -35.650 -14.411 1.00 21.33 C ATOM 2072 O LEU A 660 6.302 -36.566 -13.594 1.00 71.33 O ATOM 2073 CB LEU A 660 8.594 -34.543 -13.874 1.00 34.32 C ATOM 2074 CG LEU A 660 9.299 -35.262 -15.007 1.00 72.30 C ATOM 2075 CD1 LEU A 660 9.162 -34.550 -16.317 1.00 54.24 C ATOM 2076 CD2 LEU A 660 10.764 -35.451 -14.678 1.00 34.41 C ATOM 0 H LEU A 660 6.474 -34.764 -12.058 1.00 41.41 H new ATOM 0 HA LEU A 660 6.920 -33.579 -14.762 1.00 22.22 H new ATOM 0 HB2 LEU A 660 9.052 -33.561 -13.759 1.00 34.32 H new ATOM 0 HB3 LEU A 660 8.784 -35.094 -12.953 1.00 34.32 H new ATOM 0 HG LEU A 660 8.815 -36.233 -15.113 1.00 72.30 H new ATOM 0 HD11 LEU A 660 9.686 -35.110 -17.092 1.00 54.24 H new ATOM 0 HD12 LEU A 660 8.107 -34.469 -16.579 1.00 54.24 H new ATOM 0 HD13 LEU A 660 9.593 -33.552 -16.236 1.00 54.24 H new ATOM 0 HD21 LEU A 660 11.258 -35.969 -15.500 1.00 34.41 H new ATOM 0 HD22 LEU A 660 11.232 -34.478 -14.529 1.00 34.41 H new ATOM 0 HD23 LEU A 660 10.859 -36.043 -13.768 1.00 34.41 H new ATOM 2088 N GLU A 661 5.888 -35.704 -15.632 1.00 35.24 N ATOM 2089 CA GLU A 661 5.152 -36.853 -16.149 1.00 3.34 C ATOM 2090 C GLU A 661 5.987 -37.774 -17.019 1.00 25.21 C ATOM 2091 O GLU A 661 6.545 -37.358 -18.015 1.00 75.45 O ATOM 2092 CB GLU A 661 4.001 -36.339 -16.988 1.00 54.11 C ATOM 2093 CG GLU A 661 3.027 -37.404 -17.295 1.00 40.04 C ATOM 2094 CD GLU A 661 1.585 -36.911 -17.112 1.00 50.53 C ATOM 2095 OE1 GLU A 661 1.284 -36.317 -16.034 1.00 32.53 O ATOM 2096 OE2 GLU A 661 0.766 -37.098 -18.028 1.00 62.14 O ATOM 0 H GLU A 661 5.974 -34.941 -16.303 1.00 35.24 H new ATOM 0 HA GLU A 661 4.823 -37.433 -15.287 1.00 3.34 H new ATOM 0 HB2 GLU A 661 3.499 -35.529 -16.459 1.00 54.11 H new ATOM 0 HB3 GLU A 661 4.387 -35.921 -17.918 1.00 54.11 H new ATOM 0 HG2 GLU A 661 3.169 -37.745 -18.320 1.00 40.04 H new ATOM 0 HG3 GLU A 661 3.206 -38.261 -16.646 1.00 40.04 H new ATOM 2103 N VAL A 662 6.060 -39.032 -16.640 1.00 73.22 N ATOM 2104 CA VAL A 662 6.875 -40.022 -17.319 1.00 33.32 C ATOM 2105 C VAL A 662 6.036 -40.896 -18.179 1.00 43.24 C ATOM 2106 O VAL A 662 4.912 -41.248 -17.848 1.00 3.25 O ATOM 2107 CB VAL A 662 7.744 -40.839 -16.305 1.00 53.31 C ATOM 2108 CG1 VAL A 662 7.737 -40.256 -14.874 1.00 71.45 C ATOM 2109 CG2 VAL A 662 7.585 -42.237 -16.392 1.00 63.03 C ATOM 0 H VAL A 662 5.548 -39.403 -15.840 1.00 73.22 H new ATOM 0 HA VAL A 662 7.572 -39.500 -17.974 1.00 33.32 H new ATOM 0 HB VAL A 662 8.773 -40.697 -16.636 1.00 53.31 H new ATOM 0 HG11 VAL A 662 8.360 -40.873 -14.227 1.00 71.45 H new ATOM 0 HG12 VAL A 662 8.130 -39.239 -14.893 1.00 71.45 H new ATOM 0 HG13 VAL A 662 6.717 -40.243 -14.491 1.00 71.45 H new ATOM 0 HG21 VAL A 662 8.224 -42.722 -15.654 1.00 63.03 H new ATOM 0 HG22 VAL A 662 6.544 -42.498 -16.199 1.00 63.03 H new ATOM 0 HG23 VAL A 662 7.864 -42.573 -17.391 1.00 63.03 H new ATOM 2119 N ILE A 663 6.632 -41.239 -19.302 1.00 30.43 N ATOM 2120 CA ILE A 663 6.081 -42.169 -20.247 1.00 63.02 C ATOM 2121 C ILE A 663 7.175 -43.200 -20.394 1.00 75.13 C ATOM 2122 O ILE A 663 8.343 -42.838 -20.551 1.00 62.43 O ATOM 2123 CB ILE A 663 5.802 -41.464 -21.585 1.00 25.13 C ATOM 2124 CG1 ILE A 663 4.658 -40.452 -21.397 1.00 40.21 C ATOM 2125 CG2 ILE A 663 5.502 -42.491 -22.682 1.00 43.22 C ATOM 2126 CD1 ILE A 663 3.239 -41.069 -21.546 1.00 62.03 C ATOM 0 H ILE A 663 7.538 -40.864 -19.584 1.00 30.43 H new ATOM 0 HA ILE A 663 5.132 -42.603 -19.930 1.00 63.02 H new ATOM 0 HB ILE A 663 6.686 -40.914 -21.907 1.00 25.13 H new ATOM 0 HG12 ILE A 663 4.745 -40.000 -20.409 1.00 40.21 H new ATOM 0 HG13 ILE A 663 4.773 -39.650 -22.126 1.00 40.21 H new ATOM 0 HG21 ILE A 663 5.307 -41.974 -23.621 1.00 43.22 H new ATOM 0 HG22 ILE A 663 6.359 -43.154 -22.804 1.00 43.22 H new ATOM 0 HG23 ILE A 663 4.627 -43.077 -22.402 1.00 43.22 H new ATOM 0 HD11 ILE A 663 2.488 -40.293 -21.400 1.00 62.03 H new ATOM 0 HD12 ILE A 663 3.131 -41.496 -22.543 1.00 62.03 H new ATOM 0 HD13 ILE A 663 3.102 -41.852 -20.800 1.00 62.03 H new ATOM 2138 N ILE A 664 6.817 -44.465 -20.295 1.00 20.15 N ATOM 2139 CA ILE A 664 7.771 -45.537 -20.510 1.00 74.42 C ATOM 2140 C ILE A 664 7.763 -45.836 -22.015 1.00 53.02 C ATOM 2141 O ILE A 664 6.711 -46.078 -22.615 1.00 41.10 O ATOM 2142 CB ILE A 664 7.467 -46.789 -19.628 1.00 12.10 C ATOM 2143 CG1 ILE A 664 7.505 -46.360 -18.137 1.00 12.15 C ATOM 2144 CG2 ILE A 664 8.514 -47.910 -19.907 1.00 21.53 C ATOM 2145 CD1 ILE A 664 7.302 -47.487 -17.098 1.00 51.05 C ATOM 0 H ILE A 664 5.873 -44.777 -20.067 1.00 20.15 H new ATOM 0 HA ILE A 664 8.771 -45.236 -20.198 1.00 74.42 H new ATOM 0 HB ILE A 664 6.481 -47.187 -19.868 1.00 12.10 H new ATOM 0 HG12 ILE A 664 8.465 -45.883 -17.942 1.00 12.15 H new ATOM 0 HG13 ILE A 664 6.736 -45.604 -17.978 1.00 12.15 H new ATOM 0 HG21 ILE A 664 8.292 -48.778 -19.286 1.00 21.53 H new ATOM 0 HG22 ILE A 664 8.471 -48.195 -20.958 1.00 21.53 H new ATOM 0 HG23 ILE A 664 9.513 -47.542 -19.672 1.00 21.53 H new ATOM 0 HD11 ILE A 664 7.349 -47.068 -16.093 1.00 51.05 H new ATOM 0 HD12 ILE A 664 6.329 -47.953 -17.252 1.00 51.05 H new ATOM 0 HD13 ILE A 664 8.085 -48.236 -17.216 1.00 51.05 H new