USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 533 THR OG1 : rot -178:sc= 0.315 USER MOD Single : A 536 CYS SG : rot 180:sc= -0.0872 USER MOD Single : A 538 THR OG1 : rot 180:sc= 0 USER MOD Single : A 540 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 542 SER OG : rot 180:sc= 0 USER MOD Single : A 544 SER OG : rot 37:sc= 0.986 USER MOD Single : A 548 MET CE :methyl 140:sc= -0.536 (180deg=-3.44!) USER MOD Single : A 551 LYS NZ :NH3+ 178:sc= 0.909 (180deg=0.908) USER MOD Single : A 555 THR OG1 : rot 180:sc= 0 USER MOD Single : A 556 SER OG : rot 180:sc= 0.0721 USER MOD Single : A 561 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 568 THR OG1 : rot -164:sc= 0.652 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 153:sc= 1.08 (180deg=0.484) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 590 LYS NZ :NH3+ -151:sc= 0.00736 (180deg=0) USER MOD Single : A 591 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -126:sc= 1.36 (180deg=-0.349) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ -161:sc= 0.436 (180deg=0.0653) USER MOD Single : A 613 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 622 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.12) USER MOD Single : A 624 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 651 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.754) USER MOD Single : A 657 HIS : no HE2:sc= 0.674 K(o=0.67,f=-2.5!) USER MOD Single : A 659 LYS NZ :NH3+ 161:sc= 0.237 (180deg=-0.0332) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.565 -18.345 1.678 1.00 75.43 N ATOM 19 CA ALA A 529 11.270 -19.593 1.418 1.00 21.34 C ATOM 20 C ALA A 529 10.990 -19.993 -0.038 1.00 55.51 C ATOM 21 O ALA A 529 9.884 -19.797 -0.542 1.00 25.01 O ATOM 22 CB ALA A 529 10.801 -20.660 2.369 1.00 41.54 C ATOM 0 HA ALA A 529 12.342 -19.469 1.569 1.00 21.34 H new ATOM 0 HB1 ALA A 529 11.334 -21.589 2.166 1.00 41.54 H new ATOM 0 HB2 ALA A 529 10.997 -20.346 3.394 1.00 41.54 H new ATOM 0 HB3 ALA A 529 9.731 -20.820 2.237 1.00 41.54 H new ATOM 28 N GLY A 530 12.012 -20.486 -0.724 1.00 54.14 N ATOM 29 CA GLY A 530 11.917 -20.691 -2.153 1.00 41.24 C ATOM 30 C GLY A 530 10.824 -21.604 -2.658 1.00 33.35 C ATOM 31 O GLY A 530 10.457 -22.579 -2.023 1.00 24.14 O ATOM 0 H GLY A 530 12.908 -20.748 -0.313 1.00 54.14 H new ATOM 0 HA2 GLY A 530 11.785 -19.717 -2.624 1.00 41.24 H new ATOM 0 HA3 GLY A 530 12.872 -21.086 -2.500 1.00 41.24 H new ATOM 35 N ILE A 531 10.339 -21.268 -3.844 1.00 30.35 N ATOM 36 CA ILE A 531 9.345 -22.063 -4.559 1.00 42.52 C ATOM 37 C ILE A 531 10.041 -23.325 -5.035 1.00 24.23 C ATOM 38 O ILE A 531 11.191 -23.251 -5.469 1.00 41.52 O ATOM 39 CB ILE A 531 8.788 -21.247 -5.785 1.00 3.13 C ATOM 40 CG1 ILE A 531 7.478 -20.545 -5.395 1.00 21.00 C ATOM 41 CG2 ILE A 531 8.536 -22.128 -7.016 1.00 31.22 C ATOM 42 CD1 ILE A 531 7.649 -19.391 -4.391 1.00 45.30 C ATOM 0 H ILE A 531 10.626 -20.427 -4.345 1.00 30.35 H new ATOM 0 HA ILE A 531 8.503 -22.311 -3.913 1.00 42.52 H new ATOM 0 HB ILE A 531 9.551 -20.515 -6.050 1.00 3.13 H new ATOM 0 HG12 ILE A 531 7.005 -20.158 -6.297 1.00 21.00 H new ATOM 0 HG13 ILE A 531 6.798 -21.283 -4.970 1.00 21.00 H new ATOM 0 HG21 ILE A 531 8.153 -21.514 -7.831 1.00 31.22 H new ATOM 0 HG22 ILE A 531 9.470 -22.598 -7.324 1.00 31.22 H new ATOM 0 HG23 ILE A 531 7.806 -22.899 -6.769 1.00 31.22 H new ATOM 0 HD11 ILE A 531 6.676 -18.952 -4.172 1.00 45.30 H new ATOM 0 HD12 ILE A 531 8.091 -19.772 -3.470 1.00 45.30 H new ATOM 0 HD13 ILE A 531 8.302 -18.630 -4.819 1.00 45.30 H new ATOM 54 N PHE A 532 9.353 -24.458 -4.976 1.00 52.12 N ATOM 55 CA PHE A 532 9.900 -25.728 -5.459 1.00 53.34 C ATOM 56 C PHE A 532 9.170 -26.191 -6.689 1.00 33.20 C ATOM 57 O PHE A 532 7.942 -26.173 -6.751 1.00 22.01 O ATOM 58 CB PHE A 532 9.810 -26.788 -4.385 1.00 3.24 C ATOM 59 CG PHE A 532 10.662 -26.483 -3.213 1.00 15.25 C ATOM 60 CD1 PHE A 532 10.172 -25.697 -2.158 1.00 23.22 C ATOM 61 CD2 PHE A 532 11.985 -26.931 -3.171 1.00 23.14 C ATOM 62 CE1 PHE A 532 10.997 -25.371 -1.073 1.00 44.15 C ATOM 63 CE2 PHE A 532 12.808 -26.613 -2.089 1.00 42.21 C ATOM 64 CZ PHE A 532 12.317 -25.834 -1.036 1.00 71.22 C ATOM 0 H PHE A 532 8.409 -24.527 -4.597 1.00 52.12 H new ATOM 0 HA PHE A 532 10.948 -25.566 -5.712 1.00 53.34 H new ATOM 0 HB2 PHE A 532 8.774 -26.885 -4.061 1.00 3.24 H new ATOM 0 HB3 PHE A 532 10.105 -27.750 -4.804 1.00 3.24 H new ATOM 0 HD1 PHE A 532 9.153 -25.341 -2.183 1.00 23.22 H new ATOM 0 HD2 PHE A 532 12.374 -27.528 -3.982 1.00 23.14 H new ATOM 0 HE1 PHE A 532 10.614 -24.763 -0.266 1.00 44.15 H new ATOM 0 HE2 PHE A 532 13.827 -26.970 -2.065 1.00 42.21 H new ATOM 0 HZ PHE A 532 12.954 -25.591 -0.198 1.00 71.22 H new ATOM 74 N THR A 533 9.938 -26.565 -7.692 1.00 32.34 N ATOM 75 CA THR A 533 9.395 -26.894 -8.994 1.00 71.32 C ATOM 76 C THR A 533 10.404 -27.813 -9.659 1.00 64.53 C ATOM 77 O THR A 533 11.543 -27.901 -9.209 1.00 32.41 O ATOM 78 CB THR A 533 9.194 -25.584 -9.810 1.00 70.14 C ATOM 79 OG1 THR A 533 8.540 -25.870 -11.051 1.00 42.41 O ATOM 80 CG2 THR A 533 10.515 -24.895 -10.092 1.00 64.14 C ATOM 0 H THR A 533 10.953 -26.649 -7.628 1.00 32.34 H new ATOM 0 HA THR A 533 8.426 -27.388 -8.926 1.00 71.32 H new ATOM 0 HB THR A 533 8.576 -24.917 -9.209 1.00 70.14 H new ATOM 0 HG1 THR A 533 8.446 -25.044 -11.569 1.00 42.41 H new ATOM 0 HG21 THR A 533 10.336 -23.984 -10.663 1.00 64.14 H new ATOM 0 HG22 THR A 533 11.002 -24.642 -9.150 1.00 64.14 H new ATOM 0 HG23 THR A 533 11.158 -25.562 -10.666 1.00 64.14 H new ATOM 88 N PHE A 534 10.000 -28.502 -10.711 1.00 33.31 N ATOM 89 CA PHE A 534 10.896 -29.373 -11.452 1.00 34.21 C ATOM 90 C PHE A 534 11.290 -28.681 -12.734 1.00 51.21 C ATOM 91 O PHE A 534 10.720 -27.653 -13.108 1.00 31.13 O ATOM 92 CB PHE A 534 10.219 -30.692 -11.812 1.00 31.31 C ATOM 93 CG PHE A 534 9.906 -31.586 -10.639 1.00 4.42 C ATOM 94 CD1 PHE A 534 10.339 -31.323 -9.326 1.00 51.44 C ATOM 95 CD2 PHE A 534 9.192 -32.743 -10.886 1.00 1.25 C ATOM 96 CE1 PHE A 534 10.014 -32.221 -8.274 1.00 15.14 C ATOM 97 CE2 PHE A 534 8.883 -33.668 -9.863 1.00 63.42 C ATOM 98 CZ PHE A 534 9.268 -33.400 -8.556 1.00 34.45 C ATOM 0 H PHE A 534 9.047 -28.475 -11.075 1.00 33.31 H new ATOM 0 HA PHE A 534 11.764 -29.583 -10.827 1.00 34.21 H new ATOM 0 HB2 PHE A 534 9.292 -30.475 -12.342 1.00 31.31 H new ATOM 0 HB3 PHE A 534 10.862 -31.236 -12.504 1.00 31.31 H new ATOM 0 HD1 PHE A 534 10.920 -30.437 -9.118 1.00 51.44 H new ATOM 0 HD2 PHE A 534 8.859 -32.947 -11.893 1.00 1.25 H new ATOM 0 HE1 PHE A 534 10.332 -32.010 -7.264 1.00 15.14 H new ATOM 0 HE2 PHE A 534 8.350 -34.578 -10.096 1.00 63.42 H new ATOM 0 HZ PHE A 534 9.004 -34.080 -7.760 1.00 34.45 H new ATOM 108 N GLU A 535 12.279 -29.262 -13.389 1.00 54.00 N ATOM 109 CA GLU A 535 12.817 -28.751 -14.644 1.00 22.33 C ATOM 110 C GLU A 535 11.852 -28.862 -15.812 1.00 22.20 C ATOM 111 O GLU A 535 11.788 -27.980 -16.665 1.00 74.41 O ATOM 112 CB GLU A 535 14.048 -29.575 -14.983 1.00 0.33 C ATOM 113 CG GLU A 535 15.310 -29.068 -14.310 1.00 54.25 C ATOM 114 CD GLU A 535 16.570 -29.757 -14.814 1.00 4.41 C ATOM 115 OE1 GLU A 535 16.484 -30.585 -15.745 1.00 22.33 O ATOM 116 OE2 GLU A 535 17.645 -29.515 -14.222 1.00 64.43 O ATOM 0 H GLU A 535 12.739 -30.112 -13.063 1.00 54.00 H new ATOM 0 HA GLU A 535 13.030 -27.692 -14.500 1.00 22.33 H new ATOM 0 HB2 GLU A 535 13.877 -30.610 -14.688 1.00 0.33 H new ATOM 0 HB3 GLU A 535 14.193 -29.572 -16.063 1.00 0.33 H new ATOM 0 HG2 GLU A 535 15.398 -27.994 -14.477 1.00 54.25 H new ATOM 0 HG3 GLU A 535 15.226 -29.218 -13.234 1.00 54.25 H new ATOM 123 N CYS A 536 11.145 -29.976 -15.877 1.00 13.14 N ATOM 124 CA CYS A 536 10.247 -30.259 -16.986 1.00 35.44 C ATOM 125 C CYS A 536 8.989 -30.879 -16.421 1.00 34.04 C ATOM 126 O CYS A 536 8.970 -31.283 -15.262 1.00 33.43 O ATOM 127 CB CYS A 536 10.909 -31.234 -17.966 1.00 62.43 C ATOM 128 SG CYS A 536 12.445 -30.594 -18.685 1.00 4.13 S ATOM 0 H CYS A 536 11.176 -30.708 -15.167 1.00 13.14 H new ATOM 0 HA CYS A 536 10.012 -29.339 -17.522 1.00 35.44 H new ATOM 0 HB2 CYS A 536 11.120 -32.170 -17.449 1.00 62.43 H new ATOM 0 HB3 CYS A 536 10.208 -31.464 -18.769 1.00 62.43 H new ATOM 0 HG CYS A 536 12.944 -31.476 -19.499 1.00 4.13 H new ATOM 134 N ASP A 537 7.959 -30.974 -17.246 1.00 61.22 N ATOM 135 CA ASP A 537 6.689 -31.581 -16.852 1.00 20.25 C ATOM 136 C ASP A 537 6.300 -32.759 -17.751 1.00 10.21 C ATOM 137 O ASP A 537 5.259 -33.351 -17.552 1.00 61.41 O ATOM 138 CB ASP A 537 5.581 -30.525 -16.833 1.00 25.40 C ATOM 139 CG ASP A 537 5.546 -29.685 -18.095 1.00 2.03 C ATOM 140 OD1 ASP A 537 5.982 -30.149 -19.172 1.00 2.24 O ATOM 141 OD2 ASP A 537 5.189 -28.490 -17.966 1.00 30.04 O ATOM 0 H ASP A 537 7.975 -30.634 -18.208 1.00 61.22 H new ATOM 0 HA ASP A 537 6.819 -31.982 -15.847 1.00 20.25 H new ATOM 0 HB2 ASP A 537 4.618 -31.018 -16.704 1.00 25.40 H new ATOM 0 HB3 ASP A 537 5.723 -29.872 -15.972 1.00 25.40 H new ATOM 146 N THR A 538 7.167 -33.131 -18.688 1.00 61.34 N ATOM 147 CA THR A 538 6.954 -34.273 -19.577 1.00 4.34 C ATOM 148 C THR A 538 8.346 -34.889 -19.828 1.00 60.42 C ATOM 149 O THR A 538 9.310 -34.162 -20.080 1.00 63.34 O ATOM 150 CB THR A 538 6.361 -33.811 -20.928 1.00 74.23 C ATOM 151 OG1 THR A 538 5.194 -33.017 -20.694 1.00 12.40 O ATOM 152 CG2 THR A 538 5.955 -34.996 -21.794 1.00 23.41 C ATOM 0 H THR A 538 8.048 -32.644 -18.855 1.00 61.34 H new ATOM 0 HA THR A 538 6.260 -34.984 -19.129 1.00 4.34 H new ATOM 0 HB THR A 538 7.130 -33.236 -21.444 1.00 74.23 H new ATOM 0 HG1 THR A 538 4.820 -32.724 -21.551 1.00 12.40 H new ATOM 0 HG21 THR A 538 5.542 -34.634 -22.736 1.00 23.41 H new ATOM 0 HG22 THR A 538 6.829 -35.616 -21.995 1.00 23.41 H new ATOM 0 HG23 THR A 538 5.203 -35.587 -21.272 1.00 23.41 H new ATOM 160 N ILE A 539 8.448 -36.204 -19.721 1.00 70.53 N ATOM 161 CA ILE A 539 9.696 -36.967 -19.897 1.00 15.41 C ATOM 162 C ILE A 539 9.352 -38.377 -20.407 1.00 3.20 C ATOM 163 O ILE A 539 8.229 -38.844 -20.250 1.00 55.22 O ATOM 164 CB ILE A 539 10.494 -37.052 -18.527 1.00 54.12 C ATOM 165 CG1 ILE A 539 11.932 -37.571 -18.729 1.00 34.21 C ATOM 166 CG2 ILE A 539 9.722 -37.891 -17.449 1.00 70.14 C ATOM 167 CD1 ILE A 539 12.194 -38.978 -18.164 1.00 25.44 C ATOM 0 H ILE A 539 7.647 -36.797 -19.503 1.00 70.53 H new ATOM 0 HA ILE A 539 10.331 -36.461 -20.625 1.00 15.41 H new ATOM 0 HB ILE A 539 10.571 -36.034 -18.145 1.00 54.12 H new ATOM 0 HG12 ILE A 539 12.155 -37.576 -19.796 1.00 34.21 H new ATOM 0 HG13 ILE A 539 12.625 -36.872 -18.261 1.00 34.21 H new ATOM 0 HG21 ILE A 539 10.304 -37.923 -16.528 1.00 70.14 H new ATOM 0 HG22 ILE A 539 8.755 -37.428 -17.252 1.00 70.14 H new ATOM 0 HG23 ILE A 539 9.570 -38.905 -17.818 1.00 70.14 H new ATOM 0 HD11 ILE A 539 13.230 -39.259 -18.352 1.00 25.44 H new ATOM 0 HD12 ILE A 539 12.007 -38.979 -17.090 1.00 25.44 H new ATOM 0 HD13 ILE A 539 11.530 -39.694 -18.649 1.00 25.44 H new ATOM 179 N HIS A 540 10.324 -39.061 -20.994 1.00 64.44 N ATOM 180 CA HIS A 540 10.189 -40.467 -21.362 1.00 31.53 C ATOM 181 C HIS A 540 11.372 -41.224 -20.780 1.00 70.31 C ATOM 182 O HIS A 540 12.513 -40.812 -20.975 1.00 50.42 O ATOM 183 CB HIS A 540 10.222 -40.642 -22.876 1.00 60.11 C ATOM 184 CG HIS A 540 8.882 -40.521 -23.528 1.00 1.12 C ATOM 185 ND1 HIS A 540 8.243 -41.587 -24.162 1.00 60.34 N ATOM 186 CD2 HIS A 540 8.031 -39.472 -23.674 1.00 63.44 C ATOM 187 CE1 HIS A 540 7.093 -41.159 -24.662 1.00 41.20 C ATOM 188 NE2 HIS A 540 6.944 -39.894 -24.374 1.00 22.53 N ATOM 0 H HIS A 540 11.231 -38.658 -21.230 1.00 64.44 H new ATOM 0 HA HIS A 540 9.239 -40.840 -20.980 1.00 31.53 H new ATOM 0 HB2 HIS A 540 10.892 -39.896 -23.304 1.00 60.11 H new ATOM 0 HB3 HIS A 540 10.642 -41.620 -23.110 1.00 60.11 H new ATOM 0 HD2 HIS A 540 8.191 -38.472 -23.298 1.00 63.44 H new ATOM 0 HE1 HIS A 540 6.390 -41.761 -25.219 1.00 41.20 H new ATOM 0 HE2 HIS A 540 6.143 -39.317 -24.632 1.00 22.53 H new ATOM 196 N VAL A 541 11.108 -42.336 -20.116 1.00 1.20 N ATOM 197 CA VAL A 541 12.173 -43.268 -19.711 1.00 71.10 C ATOM 198 C VAL A 541 11.877 -44.615 -20.337 1.00 21.32 C ATOM 199 O VAL A 541 10.798 -44.832 -20.857 1.00 44.05 O ATOM 200 CB VAL A 541 12.297 -43.476 -18.157 1.00 73.11 C ATOM 201 CG1 VAL A 541 12.713 -42.206 -17.475 1.00 22.45 C ATOM 202 CG2 VAL A 541 10.989 -44.000 -17.542 1.00 22.35 C ATOM 0 H VAL A 541 10.169 -42.625 -19.841 1.00 1.20 H new ATOM 0 HA VAL A 541 13.114 -42.833 -20.047 1.00 71.10 H new ATOM 0 HB VAL A 541 13.068 -44.230 -17.999 1.00 73.11 H new ATOM 0 HG11 VAL A 541 12.791 -42.378 -16.402 1.00 22.45 H new ATOM 0 HG12 VAL A 541 13.680 -41.885 -17.862 1.00 22.45 H new ATOM 0 HG13 VAL A 541 11.971 -41.431 -17.665 1.00 22.45 H new ATOM 0 HG21 VAL A 541 11.118 -44.130 -16.468 1.00 22.35 H new ATOM 0 HG22 VAL A 541 10.188 -43.285 -17.727 1.00 22.35 H new ATOM 0 HG23 VAL A 541 10.732 -44.958 -17.995 1.00 22.35 H new ATOM 212 N SER A 542 12.819 -45.527 -20.202 1.00 1.12 N ATOM 213 CA SER A 542 12.626 -46.929 -20.548 1.00 54.24 C ATOM 214 C SER A 542 12.821 -47.621 -19.213 1.00 1.44 C ATOM 215 O SER A 542 13.440 -47.043 -18.337 1.00 61.23 O ATOM 216 CB SER A 542 13.681 -47.385 -21.554 1.00 42.12 C ATOM 217 OG SER A 542 13.661 -46.560 -22.707 1.00 2.53 O ATOM 0 H SER A 542 13.751 -45.318 -19.846 1.00 1.12 H new ATOM 0 HA SER A 542 11.663 -47.139 -21.013 1.00 54.24 H new ATOM 0 HB2 SER A 542 14.668 -47.352 -21.094 1.00 42.12 H new ATOM 0 HB3 SER A 542 13.496 -48.421 -21.838 1.00 42.12 H new ATOM 0 HG SER A 542 14.344 -46.865 -23.340 1.00 2.53 H new ATOM 223 N GLU A 543 12.329 -48.830 -19.039 1.00 71.31 N ATOM 224 CA GLU A 543 12.512 -49.565 -17.781 1.00 53.33 C ATOM 225 C GLU A 543 13.988 -49.888 -17.547 1.00 35.40 C ATOM 226 O GLU A 543 14.470 -49.896 -16.411 1.00 54.25 O ATOM 227 CB GLU A 543 11.695 -50.869 -17.784 1.00 44.12 C ATOM 228 CG GLU A 543 11.336 -51.414 -19.177 1.00 2.43 C ATOM 229 CD GLU A 543 12.571 -51.680 -20.042 1.00 22.41 C ATOM 230 OE1 GLU A 543 13.355 -52.591 -19.721 1.00 44.55 O ATOM 231 OE2 GLU A 543 12.850 -50.843 -20.933 1.00 45.22 O ATOM 0 H GLU A 543 11.797 -49.335 -19.748 1.00 71.31 H new ATOM 0 HA GLU A 543 12.157 -48.926 -16.973 1.00 53.33 H new ATOM 0 HB2 GLU A 543 12.257 -51.633 -17.247 1.00 44.12 H new ATOM 0 HB3 GLU A 543 10.772 -50.702 -17.228 1.00 44.12 H new ATOM 0 HG2 GLU A 543 10.769 -52.338 -19.066 1.00 2.43 H new ATOM 0 HG3 GLU A 543 10.687 -50.701 -19.686 1.00 2.43 H new ATOM 238 N SER A 544 14.709 -50.080 -18.641 1.00 21.32 N ATOM 239 CA SER A 544 16.128 -50.437 -18.618 1.00 52.32 C ATOM 240 C SER A 544 17.008 -49.319 -18.071 1.00 43.15 C ATOM 241 O SER A 544 18.195 -49.518 -17.826 1.00 51.53 O ATOM 242 CB SER A 544 16.586 -50.795 -20.033 1.00 24.34 C ATOM 243 OG SER A 544 16.000 -52.009 -20.477 1.00 34.13 O ATOM 0 H SER A 544 14.326 -49.993 -19.582 1.00 21.32 H new ATOM 0 HA SER A 544 16.235 -51.291 -17.949 1.00 52.32 H new ATOM 0 HB2 SER A 544 16.320 -49.990 -20.718 1.00 24.34 H new ATOM 0 HB3 SER A 544 17.672 -50.885 -20.053 1.00 24.34 H new ATOM 0 HG SER A 544 15.078 -52.066 -20.149 1.00 34.13 H new ATOM 249 N ILE A 545 16.419 -48.156 -17.827 1.00 70.11 N ATOM 250 CA ILE A 545 17.134 -47.062 -17.193 1.00 51.44 C ATOM 251 C ILE A 545 17.488 -47.448 -15.752 1.00 2.51 C ATOM 252 O ILE A 545 18.441 -46.919 -15.166 1.00 31.41 O ATOM 253 CB ILE A 545 16.272 -45.771 -17.192 1.00 2.14 C ATOM 254 CG1 ILE A 545 17.179 -44.554 -16.979 1.00 5.13 C ATOM 255 CG2 ILE A 545 15.127 -45.858 -16.127 1.00 72.40 C ATOM 256 CD1 ILE A 545 16.443 -43.281 -16.729 1.00 75.10 C ATOM 0 H ILE A 545 15.448 -47.948 -18.059 1.00 70.11 H new ATOM 0 HA ILE A 545 18.047 -46.868 -17.756 1.00 51.44 H new ATOM 0 HB ILE A 545 15.781 -45.661 -18.159 1.00 2.14 H new ATOM 0 HG12 ILE A 545 17.840 -44.751 -16.135 1.00 5.13 H new ATOM 0 HG13 ILE A 545 17.812 -44.428 -17.857 1.00 5.13 H new ATOM 0 HG21 ILE A 545 14.539 -44.940 -16.149 1.00 72.40 H new ATOM 0 HG22 ILE A 545 14.482 -46.707 -16.354 1.00 72.40 H new ATOM 0 HG23 ILE A 545 15.561 -45.987 -15.136 1.00 72.40 H new ATOM 0 HD11 ILE A 545 17.157 -42.469 -16.589 1.00 75.10 H new ATOM 0 HD12 ILE A 545 15.803 -43.057 -17.582 1.00 75.10 H new ATOM 0 HD13 ILE A 545 15.831 -43.385 -15.833 1.00 75.10 H new ATOM 268 N GLY A 546 16.707 -48.345 -15.163 1.00 1.24 N ATOM 269 CA GLY A 546 16.940 -48.728 -13.789 1.00 62.33 C ATOM 270 C GLY A 546 16.264 -47.789 -12.831 1.00 5.53 C ATOM 271 O GLY A 546 15.319 -48.143 -12.133 1.00 44.01 O ATOM 0 H GLY A 546 15.919 -48.811 -15.613 1.00 1.24 H new ATOM 0 HA2 GLY A 546 16.573 -49.741 -13.626 1.00 62.33 H new ATOM 0 HA3 GLY A 546 18.012 -48.741 -13.591 1.00 62.33 H new ATOM 275 N VAL A 547 16.781 -46.574 -12.778 1.00 34.03 N ATOM 276 CA VAL A 547 16.298 -45.568 -11.849 1.00 22.40 C ATOM 277 C VAL A 547 16.120 -44.243 -12.582 1.00 2.45 C ATOM 278 O VAL A 547 17.075 -43.672 -13.104 1.00 14.34 O ATOM 279 CB VAL A 547 17.300 -45.405 -10.676 1.00 24.41 C ATOM 280 CG1 VAL A 547 16.845 -44.312 -9.718 1.00 43.43 C ATOM 281 CG2 VAL A 547 17.456 -46.731 -9.895 1.00 53.23 C ATOM 0 H VAL A 547 17.545 -46.258 -13.376 1.00 34.03 H new ATOM 0 HA VAL A 547 15.337 -45.882 -11.442 1.00 22.40 H new ATOM 0 HB VAL A 547 18.262 -45.126 -11.107 1.00 24.41 H new ATOM 0 HG11 VAL A 547 17.565 -44.218 -8.905 1.00 43.43 H new ATOM 0 HG12 VAL A 547 16.776 -43.365 -10.253 1.00 43.43 H new ATOM 0 HG13 VAL A 547 15.868 -44.570 -9.310 1.00 43.43 H new ATOM 0 HG21 VAL A 547 18.164 -46.591 -9.078 1.00 53.23 H new ATOM 0 HG22 VAL A 547 16.489 -47.031 -9.491 1.00 53.23 H new ATOM 0 HG23 VAL A 547 17.825 -47.507 -10.566 1.00 53.23 H new ATOM 291 N MET A 548 14.889 -43.758 -12.608 1.00 60.22 N ATOM 292 CA MET A 548 14.579 -42.468 -13.212 1.00 64.43 C ATOM 293 C MET A 548 14.924 -41.384 -12.203 1.00 51.11 C ATOM 294 O MET A 548 14.914 -41.627 -10.988 1.00 54.21 O ATOM 295 CB MET A 548 13.100 -42.391 -13.615 1.00 73.12 C ATOM 296 CG MET A 548 12.158 -41.922 -12.498 1.00 63.12 C ATOM 297 SD MET A 548 11.976 -40.119 -12.370 1.00 25.25 S ATOM 298 CE MET A 548 11.488 -39.672 -14.056 1.00 34.33 C ATOM 0 H MET A 548 14.081 -44.241 -12.215 1.00 60.22 H new ATOM 0 HA MET A 548 15.164 -42.332 -14.122 1.00 64.43 H new ATOM 0 HB2 MET A 548 13.003 -41.713 -14.463 1.00 73.12 H new ATOM 0 HB3 MET A 548 12.778 -43.375 -13.955 1.00 73.12 H new ATOM 0 HG2 MET A 548 11.174 -42.363 -12.661 1.00 63.12 H new ATOM 0 HG3 MET A 548 12.525 -42.305 -11.546 1.00 63.12 H new ATOM 0 HE1 MET A 548 10.719 -38.901 -14.020 1.00 34.33 H new ATOM 0 HE2 MET A 548 12.355 -39.295 -14.598 1.00 34.33 H new ATOM 0 HE3 MET A 548 11.096 -40.552 -14.567 1.00 34.33 H new ATOM 308 N GLU A 549 15.231 -40.192 -12.692 1.00 42.12 N ATOM 309 CA GLU A 549 15.487 -39.065 -11.811 1.00 15.41 C ATOM 310 C GLU A 549 14.737 -37.836 -12.226 1.00 34.34 C ATOM 311 O GLU A 549 14.627 -37.498 -13.405 1.00 33.13 O ATOM 312 CB GLU A 549 16.982 -38.740 -11.751 1.00 5.33 C ATOM 313 CG GLU A 549 17.537 -38.589 -10.370 1.00 62.03 C ATOM 314 CD GLU A 549 19.042 -38.346 -10.383 1.00 14.32 C ATOM 315 OE1 GLU A 549 19.537 -37.696 -11.333 1.00 11.51 O ATOM 316 OE2 GLU A 549 19.731 -38.773 -9.427 1.00 1.44 O ATOM 0 H GLU A 549 15.308 -39.982 -13.687 1.00 42.12 H new ATOM 0 HA GLU A 549 15.136 -39.366 -10.824 1.00 15.41 H new ATOM 0 HB2 GLU A 549 17.532 -39.529 -12.264 1.00 5.33 H new ATOM 0 HB3 GLU A 549 17.161 -37.817 -12.302 1.00 5.33 H new ATOM 0 HG2 GLU A 549 17.040 -37.759 -9.868 1.00 62.03 H new ATOM 0 HG3 GLU A 549 17.320 -39.487 -9.792 1.00 62.03 H new ATOM 323 N VAL A 550 14.270 -37.139 -11.212 1.00 45.01 N ATOM 324 CA VAL A 550 13.569 -35.896 -11.379 1.00 4.45 C ATOM 325 C VAL A 550 14.480 -34.837 -10.808 1.00 1.32 C ATOM 326 O VAL A 550 14.975 -34.972 -9.701 1.00 31.31 O ATOM 327 CB VAL A 550 12.202 -35.949 -10.639 1.00 53.21 C ATOM 328 CG1 VAL A 550 11.978 -34.758 -9.789 1.00 50.12 C ATOM 329 CG2 VAL A 550 11.127 -36.119 -11.615 1.00 20.32 C ATOM 0 H VAL A 550 14.371 -37.428 -10.239 1.00 45.01 H new ATOM 0 HA VAL A 550 13.340 -35.683 -12.423 1.00 4.45 H new ATOM 0 HB VAL A 550 12.211 -36.805 -9.964 1.00 53.21 H new ATOM 0 HG11 VAL A 550 11.011 -34.841 -9.293 1.00 50.12 H new ATOM 0 HG12 VAL A 550 12.766 -34.693 -9.039 1.00 50.12 H new ATOM 0 HG13 VAL A 550 11.992 -33.861 -10.408 1.00 50.12 H new ATOM 0 HG21 VAL A 550 10.168 -36.156 -11.098 1.00 20.32 H new ATOM 0 HG22 VAL A 550 11.131 -35.280 -12.311 1.00 20.32 H new ATOM 0 HG23 VAL A 550 11.279 -37.048 -12.165 1.00 20.32 H new ATOM 339 N LYS A 551 14.741 -33.804 -11.586 1.00 74.10 N ATOM 340 CA LYS A 551 15.572 -32.695 -11.146 1.00 21.32 C ATOM 341 C LYS A 551 14.652 -31.674 -10.476 1.00 13.02 C ATOM 342 O LYS A 551 13.674 -31.225 -11.081 1.00 24.33 O ATOM 343 CB LYS A 551 16.281 -32.062 -12.349 1.00 31.13 C ATOM 344 CG LYS A 551 16.893 -33.054 -13.374 1.00 35.43 C ATOM 345 CD LYS A 551 17.960 -33.965 -12.794 1.00 72.32 C ATOM 346 CE LYS A 551 18.553 -34.851 -13.887 1.00 61.21 C ATOM 347 NZ LYS A 551 19.633 -35.760 -13.360 1.00 71.42 N ATOM 0 H LYS A 551 14.386 -33.708 -12.537 1.00 74.10 H new ATOM 0 HA LYS A 551 16.336 -33.037 -10.448 1.00 21.32 H new ATOM 0 HB2 LYS A 551 15.569 -31.423 -12.871 1.00 31.13 H new ATOM 0 HB3 LYS A 551 17.077 -31.416 -11.979 1.00 31.13 H new ATOM 0 HG2 LYS A 551 16.094 -33.667 -13.791 1.00 35.43 H new ATOM 0 HG3 LYS A 551 17.324 -32.487 -14.199 1.00 35.43 H new ATOM 0 HD2 LYS A 551 18.747 -33.367 -12.334 1.00 72.32 H new ATOM 0 HD3 LYS A 551 17.530 -34.585 -12.007 1.00 72.32 H new ATOM 0 HE2 LYS A 551 17.761 -35.452 -14.335 1.00 61.21 H new ATOM 0 HE3 LYS A 551 18.963 -34.223 -14.678 1.00 61.21 H new ATOM 0 HZ1 LYS A 551 19.983 -36.366 -14.129 1.00 71.42 H new ATOM 0 HZ2 LYS A 551 20.417 -35.188 -12.987 1.00 71.42 H new ATOM 0 HZ3 LYS A 551 19.246 -36.355 -12.600 1.00 71.42 H new ATOM 361 N VAL A 552 14.930 -31.355 -9.223 1.00 75.53 N ATOM 362 CA VAL A 552 14.105 -30.449 -8.427 1.00 62.11 C ATOM 363 C VAL A 552 14.871 -29.171 -8.136 1.00 4.50 C ATOM 364 O VAL A 552 15.966 -29.215 -7.573 1.00 43.50 O ATOM 365 CB VAL A 552 13.753 -31.067 -7.043 1.00 14.33 C ATOM 366 CG1 VAL A 552 12.611 -30.267 -6.383 1.00 42.52 C ATOM 367 CG2 VAL A 552 13.372 -32.540 -7.162 1.00 3.30 C ATOM 0 H VAL A 552 15.740 -31.718 -8.721 1.00 75.53 H new ATOM 0 HA VAL A 552 13.199 -30.261 -9.003 1.00 62.11 H new ATOM 0 HB VAL A 552 14.642 -31.009 -6.415 1.00 14.33 H new ATOM 0 HG11 VAL A 552 12.371 -30.707 -5.415 1.00 42.52 H new ATOM 0 HG12 VAL A 552 12.925 -29.232 -6.244 1.00 42.52 H new ATOM 0 HG13 VAL A 552 11.729 -30.296 -7.023 1.00 42.52 H new ATOM 0 HG21 VAL A 552 13.133 -32.935 -6.175 1.00 3.30 H new ATOM 0 HG22 VAL A 552 12.503 -32.640 -7.813 1.00 3.30 H new ATOM 0 HG23 VAL A 552 14.207 -33.099 -7.584 1.00 3.30 H new ATOM 377 N LEU A 553 14.298 -28.038 -8.506 1.00 55.23 N ATOM 378 CA LEU A 553 14.907 -26.751 -8.265 1.00 15.34 C ATOM 379 C LEU A 553 14.183 -26.036 -7.137 1.00 42.51 C ATOM 380 O LEU A 553 13.016 -26.319 -6.833 1.00 24.31 O ATOM 381 CB LEU A 553 14.803 -25.876 -9.515 1.00 72.14 C ATOM 382 CG LEU A 553 15.200 -26.460 -10.882 1.00 60.40 C ATOM 383 CD1 LEU A 553 16.511 -27.269 -10.861 1.00 40.24 C ATOM 384 CD2 LEU A 553 14.079 -27.266 -11.485 1.00 12.34 C ATOM 0 H LEU A 553 13.397 -27.990 -8.982 1.00 55.23 H new ATOM 0 HA LEU A 553 15.952 -26.915 -8.004 1.00 15.34 H new ATOM 0 HB2 LEU A 553 13.770 -25.537 -9.592 1.00 72.14 H new ATOM 0 HB3 LEU A 553 15.417 -24.991 -9.347 1.00 72.14 H new ATOM 0 HG LEU A 553 15.392 -25.596 -11.519 1.00 60.40 H new ATOM 0 HD11 LEU A 553 16.722 -27.647 -11.862 1.00 40.24 H new ATOM 0 HD12 LEU A 553 17.330 -26.627 -10.536 1.00 40.24 H new ATOM 0 HD13 LEU A 553 16.411 -28.107 -10.171 1.00 40.24 H new ATOM 0 HD21 LEU A 553 14.395 -27.663 -12.450 1.00 12.34 H new ATOM 0 HD22 LEU A 553 13.824 -28.090 -10.819 1.00 12.34 H new ATOM 0 HD23 LEU A 553 13.206 -26.628 -11.623 1.00 12.34 H new ATOM 396 N ARG A 554 14.859 -25.048 -6.585 1.00 3.25 N ATOM 397 CA ARG A 554 14.305 -24.157 -5.575 1.00 51.54 C ATOM 398 C ARG A 554 14.688 -22.766 -6.043 1.00 20.41 C ATOM 399 O ARG A 554 15.805 -22.563 -6.493 1.00 11.22 O ATOM 400 CB ARG A 554 14.911 -24.472 -4.209 1.00 3.04 C ATOM 401 CG ARG A 554 14.388 -23.633 -3.056 1.00 12.42 C ATOM 402 CD ARG A 554 15.180 -23.952 -1.788 1.00 1.22 C ATOM 403 NE ARG A 554 14.635 -23.266 -0.604 1.00 23.13 N ATOM 404 CZ ARG A 554 15.250 -23.171 0.573 1.00 22.15 C ATOM 405 NH1 ARG A 554 16.418 -23.699 0.802 1.00 2.14 N ATOM 406 NH2 ARG A 554 14.684 -22.514 1.544 1.00 21.21 N ATOM 0 H ARG A 554 15.827 -24.835 -6.828 1.00 3.25 H new ATOM 0 HA ARG A 554 13.226 -24.261 -5.462 1.00 51.54 H new ATOM 0 HB2 ARG A 554 14.729 -25.523 -3.983 1.00 3.04 H new ATOM 0 HB3 ARG A 554 15.991 -24.341 -4.271 1.00 3.04 H new ATOM 0 HG2 ARG A 554 14.476 -22.573 -3.295 1.00 12.42 H new ATOM 0 HG3 ARG A 554 13.329 -23.836 -2.896 1.00 12.42 H new ATOM 0 HD2 ARG A 554 15.172 -25.029 -1.618 1.00 1.22 H new ATOM 0 HD3 ARG A 554 16.221 -23.659 -1.928 1.00 1.22 H new ATOM 0 HE ARG A 554 13.717 -22.831 -0.693 1.00 23.13 H new ATOM 0 HH11 ARG A 554 16.900 -24.211 0.063 1.00 2.14 H new ATOM 0 HH12 ARG A 554 16.851 -23.600 1.720 1.00 2.14 H new ATOM 0 HH21 ARG A 554 13.774 -22.076 1.401 1.00 21.21 H new ATOM 0 HH22 ARG A 554 15.150 -22.438 2.448 1.00 21.21 H new ATOM 420 N THR A 555 13.761 -21.824 -5.997 1.00 73.31 N ATOM 421 CA THR A 555 14.061 -20.466 -6.471 1.00 74.23 C ATOM 422 C THR A 555 15.085 -19.805 -5.536 1.00 70.22 C ATOM 423 O THR A 555 15.336 -20.302 -4.433 1.00 41.15 O ATOM 424 CB THR A 555 12.774 -19.590 -6.616 1.00 55.24 C ATOM 425 OG1 THR A 555 13.004 -18.572 -7.592 1.00 14.12 O ATOM 426 CG2 THR A 555 12.381 -18.894 -5.309 1.00 24.01 C ATOM 0 H THR A 555 12.813 -21.960 -5.646 1.00 73.31 H new ATOM 0 HA THR A 555 14.491 -20.545 -7.470 1.00 74.23 H new ATOM 0 HB THR A 555 11.967 -20.263 -6.907 1.00 55.24 H new ATOM 0 HG1 THR A 555 12.199 -18.022 -7.687 1.00 14.12 H new ATOM 0 HG21 THR A 555 11.481 -18.300 -5.469 1.00 24.01 H new ATOM 0 HG22 THR A 555 12.189 -19.643 -4.541 1.00 24.01 H new ATOM 0 HG23 THR A 555 13.193 -18.242 -4.985 1.00 24.01 H new ATOM 434 N SER A 556 15.635 -18.671 -5.955 1.00 4.54 N ATOM 435 CA SER A 556 16.664 -17.943 -5.195 1.00 43.11 C ATOM 436 C SER A 556 16.183 -17.322 -3.881 1.00 33.23 C ATOM 437 O SER A 556 16.937 -16.680 -3.159 1.00 41.02 O ATOM 438 CB SER A 556 17.242 -16.853 -6.093 1.00 34.31 C ATOM 439 OG SER A 556 16.197 -16.262 -6.852 1.00 11.14 O ATOM 0 H SER A 556 15.383 -18.222 -6.836 1.00 4.54 H new ATOM 0 HA SER A 556 17.412 -18.680 -4.904 1.00 43.11 H new ATOM 0 HB2 SER A 556 17.740 -16.095 -5.489 1.00 34.31 H new ATOM 0 HB3 SER A 556 17.995 -17.276 -6.758 1.00 34.31 H new ATOM 0 HG SER A 556 16.567 -15.561 -7.428 1.00 11.14 H new ATOM 445 N GLY A 557 14.950 -17.627 -3.524 1.00 55.52 N ATOM 446 CA GLY A 557 14.388 -17.271 -2.237 1.00 11.04 C ATOM 447 C GLY A 557 14.799 -18.312 -1.212 1.00 65.30 C ATOM 448 O GLY A 557 14.030 -18.662 -0.342 1.00 65.32 O ATOM 0 H GLY A 557 14.303 -18.135 -4.128 1.00 55.52 H new ATOM 0 HA2 GLY A 557 14.739 -16.285 -1.933 1.00 11.04 H new ATOM 0 HA3 GLY A 557 13.301 -17.216 -2.303 1.00 11.04 H new ATOM 452 N ALA A 558 15.976 -18.895 -1.357 1.00 35.24 N ATOM 453 CA ALA A 558 16.373 -20.032 -0.533 1.00 65.14 C ATOM 454 C ALA A 558 16.792 -19.650 0.897 1.00 75.24 C ATOM 455 O ALA A 558 17.910 -19.882 1.334 1.00 25.22 O ATOM 456 CB ALA A 558 17.449 -20.801 -1.228 1.00 3.41 C ATOM 0 H ALA A 558 16.677 -18.602 -2.038 1.00 35.24 H new ATOM 0 HA ALA A 558 15.491 -20.660 -0.410 1.00 65.14 H new ATOM 0 HB1 ALA A 558 17.745 -21.650 -0.612 1.00 3.41 H new ATOM 0 HB2 ALA A 558 17.077 -21.161 -2.187 1.00 3.41 H new ATOM 0 HB3 ALA A 558 18.311 -20.154 -1.392 1.00 3.41 H new ATOM 462 N ARG A 559 15.846 -19.066 1.608 1.00 15.55 N ATOM 463 CA ARG A 559 16.015 -18.651 2.985 1.00 23.02 C ATOM 464 C ARG A 559 15.962 -19.882 3.880 1.00 43.51 C ATOM 465 O ARG A 559 14.901 -20.463 4.079 1.00 75.24 O ATOM 466 CB ARG A 559 14.880 -17.678 3.356 1.00 32.33 C ATOM 467 CG ARG A 559 14.788 -16.429 2.446 1.00 3.14 C ATOM 468 CD ARG A 559 15.958 -15.460 2.666 1.00 52.22 C ATOM 469 NE ARG A 559 15.941 -14.851 4.011 1.00 42.40 N ATOM 470 CZ ARG A 559 16.912 -14.099 4.523 1.00 22.14 C ATOM 471 NH1 ARG A 559 18.016 -13.840 3.866 1.00 61.32 N ATOM 472 NH2 ARG A 559 16.772 -13.597 5.719 1.00 74.25 N ATOM 0 H ARG A 559 14.919 -18.863 1.235 1.00 15.55 H new ATOM 0 HA ARG A 559 16.974 -18.151 3.117 1.00 23.02 H new ATOM 0 HB2 ARG A 559 13.931 -18.213 3.316 1.00 32.33 H new ATOM 0 HB3 ARG A 559 15.019 -17.352 4.387 1.00 32.33 H new ATOM 0 HG2 ARG A 559 14.771 -16.743 1.402 1.00 3.14 H new ATOM 0 HG3 ARG A 559 13.849 -15.911 2.638 1.00 3.14 H new ATOM 0 HD2 ARG A 559 16.898 -15.992 2.523 1.00 52.22 H new ATOM 0 HD3 ARG A 559 15.920 -14.672 1.913 1.00 52.22 H new ATOM 0 HE ARG A 559 15.121 -15.020 4.593 1.00 42.40 H new ATOM 0 HH11 ARG A 559 18.153 -14.219 2.929 1.00 61.32 H new ATOM 0 HH12 ARG A 559 18.738 -13.259 4.292 1.00 61.32 H new ATOM 0 HH21 ARG A 559 15.923 -13.782 6.254 1.00 74.25 H new ATOM 0 HH22 ARG A 559 17.511 -13.019 6.119 1.00 74.25 H new ATOM 486 N GLY A 560 17.103 -20.281 4.408 1.00 54.23 N ATOM 487 CA GLY A 560 17.145 -21.384 5.345 1.00 45.03 C ATOM 488 C GLY A 560 16.945 -22.759 4.758 1.00 4.14 C ATOM 489 O GLY A 560 17.070 -22.981 3.546 1.00 40.13 O ATOM 0 H GLY A 560 18.009 -19.859 4.205 1.00 54.23 H new ATOM 0 HA2 GLY A 560 18.108 -21.365 5.855 1.00 45.03 H new ATOM 0 HA3 GLY A 560 16.380 -21.220 6.103 1.00 45.03 H new ATOM 493 N THR A 561 16.635 -23.691 5.643 1.00 10.51 N ATOM 494 CA THR A 561 16.496 -25.094 5.313 1.00 62.32 C ATOM 495 C THR A 561 15.025 -25.436 5.284 1.00 12.15 C ATOM 496 O THR A 561 14.267 -25.109 6.174 1.00 3.32 O ATOM 497 CB THR A 561 17.230 -26.007 6.340 1.00 44.52 C ATOM 498 OG1 THR A 561 18.622 -25.674 6.350 1.00 21.00 O ATOM 499 CG2 THR A 561 17.082 -27.476 6.019 1.00 61.25 C ATOM 0 H THR A 561 16.470 -23.487 6.629 1.00 10.51 H new ATOM 0 HA THR A 561 16.952 -25.270 4.339 1.00 62.32 H new ATOM 0 HB THR A 561 16.775 -25.834 7.315 1.00 44.52 H new ATOM 0 HG1 THR A 561 18.751 -24.821 6.814 1.00 21.00 H new ATOM 0 HG21 THR A 561 17.612 -28.067 6.766 1.00 61.25 H new ATOM 0 HG22 THR A 561 16.026 -27.745 6.026 1.00 61.25 H new ATOM 0 HG23 THR A 561 17.501 -27.677 5.033 1.00 61.25 H new ATOM 507 N VAL A 562 14.644 -26.080 4.216 1.00 3.15 N ATOM 508 CA VAL A 562 13.283 -26.532 3.954 1.00 35.41 C ATOM 509 C VAL A 562 13.383 -28.014 3.619 1.00 63.10 C ATOM 510 O VAL A 562 14.291 -28.420 2.917 1.00 13.35 O ATOM 511 CB VAL A 562 12.673 -25.761 2.742 1.00 4.35 C ATOM 512 CG1 VAL A 562 11.360 -26.378 2.278 1.00 10.14 C ATOM 513 CG2 VAL A 562 12.430 -24.296 3.103 1.00 50.24 C ATOM 0 H VAL A 562 15.292 -26.320 3.466 1.00 3.15 H new ATOM 0 HA VAL A 562 12.641 -26.353 4.816 1.00 35.41 H new ATOM 0 HB VAL A 562 13.396 -25.829 1.929 1.00 4.35 H new ATOM 0 HG11 VAL A 562 10.970 -25.811 1.433 1.00 10.14 H new ATOM 0 HG12 VAL A 562 11.531 -27.411 1.974 1.00 10.14 H new ATOM 0 HG13 VAL A 562 10.638 -26.355 3.095 1.00 10.14 H new ATOM 0 HG21 VAL A 562 12.005 -23.776 2.245 1.00 50.24 H new ATOM 0 HG22 VAL A 562 11.737 -24.238 3.943 1.00 50.24 H new ATOM 0 HG23 VAL A 562 13.375 -23.828 3.379 1.00 50.24 H new ATOM 523 N ILE A 563 12.449 -28.815 4.098 1.00 30.40 N ATOM 524 CA ILE A 563 12.407 -30.225 3.756 1.00 35.22 C ATOM 525 C ILE A 563 11.219 -30.402 2.795 1.00 12.50 C ATOM 526 O ILE A 563 10.184 -29.739 2.966 1.00 32.41 O ATOM 527 CB ILE A 563 12.305 -31.102 5.032 1.00 53.41 C ATOM 528 CG1 ILE A 563 13.056 -32.411 4.819 1.00 64.12 C ATOM 529 CG2 ILE A 563 10.842 -31.411 5.424 1.00 5.33 C ATOM 530 CD1 ILE A 563 13.594 -33.001 6.086 1.00 22.43 C ATOM 0 H ILE A 563 11.706 -28.512 4.728 1.00 30.40 H new ATOM 0 HA ILE A 563 13.323 -30.555 3.266 1.00 35.22 H new ATOM 0 HB ILE A 563 12.752 -30.534 5.848 1.00 53.41 H new ATOM 0 HG12 ILE A 563 12.389 -33.131 4.346 1.00 64.12 H new ATOM 0 HG13 ILE A 563 13.881 -32.240 4.128 1.00 64.12 H new ATOM 0 HG21 ILE A 563 10.829 -32.027 6.323 1.00 5.33 H new ATOM 0 HG22 ILE A 563 10.312 -30.478 5.616 1.00 5.33 H new ATOM 0 HG23 ILE A 563 10.352 -31.946 4.610 1.00 5.33 H new ATOM 0 HD11 ILE A 563 14.117 -33.931 5.861 1.00 22.43 H new ATOM 0 HD12 ILE A 563 14.287 -32.298 6.549 1.00 22.43 H new ATOM 0 HD13 ILE A 563 12.771 -33.204 6.771 1.00 22.43 H new ATOM 542 N VAL A 564 11.362 -31.216 1.755 1.00 21.11 N ATOM 543 CA VAL A 564 10.272 -31.398 0.778 1.00 5.52 C ATOM 544 C VAL A 564 9.977 -32.863 0.431 1.00 21.41 C ATOM 545 O VAL A 564 10.799 -33.532 -0.191 1.00 73.42 O ATOM 546 CB VAL A 564 10.560 -30.681 -0.572 1.00 13.31 C ATOM 547 CG1 VAL A 564 9.267 -30.654 -1.433 1.00 33.21 C ATOM 548 CG2 VAL A 564 11.060 -29.262 -0.335 1.00 45.41 C ATOM 0 H VAL A 564 12.205 -31.757 1.560 1.00 21.11 H new ATOM 0 HA VAL A 564 9.411 -30.962 1.286 1.00 5.52 H new ATOM 0 HB VAL A 564 11.337 -31.232 -1.102 1.00 13.31 H new ATOM 0 HG11 VAL A 564 9.470 -30.151 -2.379 1.00 33.21 H new ATOM 0 HG12 VAL A 564 8.938 -31.675 -1.628 1.00 33.21 H new ATOM 0 HG13 VAL A 564 8.484 -30.117 -0.897 1.00 33.21 H new ATOM 0 HG21 VAL A 564 11.255 -28.780 -1.293 1.00 45.41 H new ATOM 0 HG22 VAL A 564 10.304 -28.696 0.209 1.00 45.41 H new ATOM 0 HG23 VAL A 564 11.980 -29.293 0.249 1.00 45.41 H new ATOM 558 N PRO A 565 8.789 -33.372 0.799 1.00 15.31 N ATOM 559 CA PRO A 565 8.409 -34.723 0.373 1.00 24.31 C ATOM 560 C PRO A 565 8.012 -34.868 -1.069 1.00 35.41 C ATOM 561 O PRO A 565 7.525 -33.930 -1.684 1.00 52.35 O ATOM 562 CB PRO A 565 7.187 -35.027 1.254 1.00 25.34 C ATOM 563 CG PRO A 565 6.613 -33.719 1.549 1.00 64.02 C ATOM 564 CD PRO A 565 7.734 -32.746 1.615 1.00 74.23 C ATOM 0 HA PRO A 565 9.263 -35.392 0.475 1.00 24.31 H new ATOM 0 HB2 PRO A 565 6.473 -35.666 0.735 1.00 25.34 H new ATOM 0 HB3 PRO A 565 7.476 -35.548 2.167 1.00 25.34 H new ATOM 0 HG2 PRO A 565 5.899 -33.430 0.777 1.00 64.02 H new ATOM 0 HG3 PRO A 565 6.069 -33.743 2.493 1.00 64.02 H new ATOM 0 HD2 PRO A 565 7.444 -31.774 1.217 1.00 74.23 H new ATOM 0 HD3 PRO A 565 8.064 -32.585 2.641 1.00 74.23 H new ATOM 572 N PHE A 566 8.147 -36.086 -1.570 1.00 21.54 N ATOM 573 CA PHE A 566 7.673 -36.475 -2.885 1.00 14.50 C ATOM 574 C PHE A 566 7.109 -37.872 -2.794 1.00 54.13 C ATOM 575 O PHE A 566 7.389 -38.569 -1.821 1.00 55.32 O ATOM 576 CB PHE A 566 8.843 -36.499 -3.840 1.00 63.20 C ATOM 577 CG PHE A 566 9.937 -37.467 -3.440 1.00 51.51 C ATOM 578 CD1 PHE A 566 10.984 -37.050 -2.597 1.00 70.20 C ATOM 579 CD2 PHE A 566 9.933 -38.792 -3.912 1.00 61.43 C ATOM 580 CE1 PHE A 566 12.022 -37.945 -2.231 1.00 0.21 C ATOM 581 CE2 PHE A 566 10.963 -39.695 -3.548 1.00 20.01 C ATOM 582 CZ PHE A 566 12.010 -39.267 -2.711 1.00 12.22 C ATOM 0 H PHE A 566 8.599 -36.846 -1.062 1.00 21.54 H new ATOM 0 HA PHE A 566 6.915 -35.773 -3.233 1.00 14.50 H new ATOM 0 HB2 PHE A 566 8.483 -36.762 -4.835 1.00 63.20 H new ATOM 0 HB3 PHE A 566 9.265 -35.496 -3.909 1.00 63.20 H new ATOM 0 HD1 PHE A 566 10.997 -36.036 -2.224 1.00 70.20 H new ATOM 0 HD2 PHE A 566 9.136 -39.125 -4.560 1.00 61.43 H new ATOM 0 HE1 PHE A 566 12.820 -37.612 -1.585 1.00 0.21 H new ATOM 0 HE2 PHE A 566 10.944 -40.711 -3.913 1.00 20.01 H new ATOM 0 HZ PHE A 566 12.801 -39.950 -2.438 1.00 12.22 H new ATOM 592 N ARG A 567 6.377 -38.301 -3.818 1.00 44.44 N ATOM 593 CA ARG A 567 5.933 -39.689 -3.929 1.00 54.42 C ATOM 594 C ARG A 567 5.639 -39.989 -5.389 1.00 12.22 C ATOM 595 O ARG A 567 5.325 -39.068 -6.151 1.00 31.35 O ATOM 596 CB ARG A 567 4.685 -39.920 -3.064 1.00 52.33 C ATOM 597 CG ARG A 567 3.485 -39.108 -3.494 1.00 10.32 C ATOM 598 CD ARG A 567 2.609 -39.870 -4.459 1.00 40.11 C ATOM 599 NE ARG A 567 2.059 -41.132 -3.906 1.00 22.42 N ATOM 600 CZ ARG A 567 1.112 -41.883 -4.468 1.00 73.33 C ATOM 601 NH1 ARG A 567 0.433 -41.501 -5.517 1.00 73.35 N ATOM 602 NH2 ARG A 567 0.855 -43.060 -3.972 1.00 33.23 N ATOM 0 H ARG A 567 6.077 -37.704 -4.588 1.00 44.44 H new ATOM 0 HA ARG A 567 6.715 -40.359 -3.571 1.00 54.42 H new ATOM 0 HB2 ARG A 567 4.425 -40.978 -3.093 1.00 52.33 H new ATOM 0 HB3 ARG A 567 4.923 -39.679 -2.028 1.00 52.33 H new ATOM 0 HG2 ARG A 567 2.902 -38.829 -2.617 1.00 10.32 H new ATOM 0 HG3 ARG A 567 3.821 -38.182 -3.961 1.00 10.32 H new ATOM 0 HD2 ARG A 567 1.783 -39.230 -4.767 1.00 40.11 H new ATOM 0 HD3 ARG A 567 3.186 -40.099 -5.355 1.00 40.11 H new ATOM 0 HE ARG A 567 2.440 -41.454 -3.016 1.00 22.42 H new ATOM 0 HH11 ARG A 567 0.619 -40.592 -5.941 1.00 73.35 H new ATOM 0 HH12 ARG A 567 -0.283 -42.112 -5.911 1.00 73.35 H new ATOM 0 HH21 ARG A 567 1.376 -43.397 -3.163 1.00 33.23 H new ATOM 0 HH22 ARG A 567 0.133 -43.644 -4.393 1.00 33.23 H new ATOM 616 N THR A 568 5.706 -41.252 -5.772 1.00 41.11 N ATOM 617 CA THR A 568 5.415 -41.670 -7.139 1.00 70.40 C ATOM 618 C THR A 568 3.901 -41.785 -7.290 1.00 35.10 C ATOM 619 O THR A 568 3.229 -42.273 -6.408 1.00 1.14 O ATOM 620 CB THR A 568 6.094 -43.011 -7.406 1.00 62.43 C ATOM 621 OG1 THR A 568 7.472 -42.906 -7.060 1.00 22.11 O ATOM 622 CG2 THR A 568 6.060 -43.379 -8.812 1.00 32.12 C ATOM 0 H THR A 568 5.963 -42.018 -5.149 1.00 41.11 H new ATOM 0 HA THR A 568 5.793 -40.945 -7.860 1.00 70.40 H new ATOM 0 HB THR A 568 5.560 -43.758 -6.819 1.00 62.43 H new ATOM 0 HG1 THR A 568 7.966 -43.655 -7.454 1.00 22.11 H new ATOM 0 HG21 THR A 568 6.556 -44.340 -8.949 1.00 32.12 H new ATOM 0 HG22 THR A 568 5.024 -43.455 -9.143 1.00 32.12 H new ATOM 0 HG23 THR A 568 6.574 -42.619 -9.400 1.00 32.12 H new ATOM 630 N VAL A 569 3.362 -41.242 -8.370 1.00 72.23 N ATOM 631 CA VAL A 569 1.940 -41.064 -8.570 1.00 73.30 C ATOM 632 C VAL A 569 1.649 -41.729 -9.865 1.00 22.10 C ATOM 633 O VAL A 569 2.118 -41.329 -10.916 1.00 12.34 O ATOM 634 CB VAL A 569 1.514 -39.575 -8.742 1.00 11.13 C ATOM 635 CG1 VAL A 569 -0.020 -39.469 -8.872 1.00 24.44 C ATOM 636 CG2 VAL A 569 1.979 -38.697 -7.597 1.00 31.23 C ATOM 0 H VAL A 569 3.922 -40.904 -9.153 1.00 72.23 H new ATOM 0 HA VAL A 569 1.412 -41.459 -7.702 1.00 73.30 H new ATOM 0 HB VAL A 569 1.996 -39.217 -9.652 1.00 11.13 H new ATOM 0 HG11 VAL A 569 -0.304 -38.423 -8.992 1.00 24.44 H new ATOM 0 HG12 VAL A 569 -0.352 -40.037 -9.741 1.00 24.44 H new ATOM 0 HG13 VAL A 569 -0.490 -39.872 -7.975 1.00 24.44 H new ATOM 0 HG21 VAL A 569 1.654 -37.671 -7.770 1.00 31.23 H new ATOM 0 HG22 VAL A 569 1.551 -39.060 -6.663 1.00 31.23 H new ATOM 0 HG23 VAL A 569 3.067 -38.727 -7.534 1.00 31.23 H new ATOM 646 N GLU A 570 0.902 -42.778 -9.768 1.00 64.54 N ATOM 647 CA GLU A 570 0.544 -43.551 -10.920 1.00 71.13 C ATOM 648 C GLU A 570 -0.673 -42.979 -11.644 1.00 1.54 C ATOM 649 O GLU A 570 -1.618 -42.509 -11.017 1.00 1.42 O ATOM 650 CB GLU A 570 0.349 -45.005 -10.508 1.00 51.34 C ATOM 651 CG GLU A 570 0.140 -45.326 -8.979 1.00 60.05 C ATOM 652 CD GLU A 570 -0.951 -44.508 -8.256 1.00 34.34 C ATOM 653 OE1 GLU A 570 -2.141 -44.850 -8.346 1.00 72.43 O ATOM 654 OE2 GLU A 570 -0.569 -43.570 -7.489 1.00 4.13 O ATOM 0 H GLU A 570 0.520 -43.127 -8.889 1.00 64.54 H new ATOM 0 HA GLU A 570 1.358 -43.503 -11.644 1.00 71.13 H new ATOM 0 HB2 GLU A 570 -0.514 -45.391 -11.050 1.00 51.34 H new ATOM 0 HB3 GLU A 570 1.218 -45.567 -10.850 1.00 51.34 H new ATOM 0 HG2 GLU A 570 -0.103 -46.384 -8.881 1.00 60.05 H new ATOM 0 HG3 GLU A 570 1.087 -45.167 -8.463 1.00 60.05 H new ATOM 661 N GLY A 571 -0.613 -42.993 -12.970 1.00 2.52 N ATOM 662 CA GLY A 571 -1.731 -42.562 -13.795 1.00 15.35 C ATOM 663 C GLY A 571 -2.330 -43.809 -14.403 1.00 12.14 C ATOM 664 O GLY A 571 -3.322 -44.332 -13.904 1.00 43.01 O ATOM 0 H GLY A 571 0.204 -43.300 -13.498 1.00 2.52 H new ATOM 0 HA2 GLY A 571 -2.471 -42.030 -13.197 1.00 15.35 H new ATOM 0 HA3 GLY A 571 -1.396 -41.875 -14.572 1.00 15.35 H new ATOM 668 N THR A 572 -1.665 -44.353 -15.414 1.00 33.11 N ATOM 669 CA THR A 572 -1.941 -45.721 -15.852 1.00 11.23 C ATOM 670 C THR A 572 -0.673 -46.539 -15.634 1.00 44.43 C ATOM 671 O THR A 572 0.342 -46.328 -16.305 1.00 52.11 O ATOM 672 CB THR A 572 -2.492 -45.821 -17.312 1.00 23.14 C ATOM 673 OG1 THR A 572 -2.504 -47.188 -17.729 1.00 41.52 O ATOM 674 CG2 THR A 572 -1.690 -45.011 -18.308 1.00 32.22 C ATOM 0 H THR A 572 -0.936 -43.875 -15.944 1.00 33.11 H new ATOM 0 HA THR A 572 -2.755 -46.129 -15.253 1.00 11.23 H new ATOM 0 HB THR A 572 -3.501 -45.408 -17.293 1.00 23.14 H new ATOM 0 HG1 THR A 572 -2.851 -47.248 -18.644 1.00 41.52 H new ATOM 0 HG21 THR A 572 -2.124 -45.123 -19.302 1.00 32.22 H new ATOM 0 HG22 THR A 572 -1.708 -43.960 -18.021 1.00 32.22 H new ATOM 0 HG23 THR A 572 -0.660 -45.366 -18.320 1.00 32.22 H new ATOM 682 N ALA A 573 -0.748 -47.444 -14.667 1.00 54.53 N ATOM 683 CA ALA A 573 0.322 -48.370 -14.307 1.00 24.25 C ATOM 684 C ALA A 573 -0.317 -49.227 -13.215 1.00 23.30 C ATOM 685 O ALA A 573 -1.402 -48.900 -12.733 1.00 15.40 O ATOM 686 CB ALA A 573 1.586 -47.636 -13.770 1.00 62.41 C ATOM 0 H ALA A 573 -1.582 -47.559 -14.092 1.00 54.53 H new ATOM 0 HA ALA A 573 0.679 -48.943 -15.163 1.00 24.25 H new ATOM 0 HB1 ALA A 573 2.352 -48.369 -13.516 1.00 62.41 H new ATOM 0 HB2 ALA A 573 1.968 -46.962 -14.536 1.00 62.41 H new ATOM 0 HB3 ALA A 573 1.324 -47.063 -12.881 1.00 62.41 H new ATOM 692 N LYS A 574 0.352 -50.295 -12.816 1.00 5.32 N ATOM 693 CA LYS A 574 -0.133 -51.189 -11.760 1.00 65.03 C ATOM 694 C LYS A 574 0.248 -50.607 -10.390 1.00 54.50 C ATOM 695 O LYS A 574 -0.451 -50.780 -9.393 1.00 75.42 O ATOM 696 CB LYS A 574 0.531 -52.551 -11.919 1.00 30.13 C ATOM 697 CG LYS A 574 0.460 -53.145 -13.330 1.00 15.13 C ATOM 698 CD LYS A 574 -0.489 -54.301 -13.435 1.00 43.03 C ATOM 699 CE LYS A 574 -0.273 -55.027 -14.760 1.00 52.10 C ATOM 700 NZ LYS A 574 1.091 -55.692 -14.837 1.00 70.11 N ATOM 0 H LYS A 574 1.250 -50.574 -13.212 1.00 5.32 H new ATOM 0 HA LYS A 574 -1.216 -51.290 -11.832 1.00 65.03 H new ATOM 0 HB2 LYS A 574 1.578 -52.464 -11.630 1.00 30.13 H new ATOM 0 HB3 LYS A 574 0.065 -53.249 -11.223 1.00 30.13 H new ATOM 0 HG2 LYS A 574 0.155 -52.367 -14.030 1.00 15.13 H new ATOM 0 HG3 LYS A 574 1.456 -53.472 -13.631 1.00 15.13 H new ATOM 0 HD2 LYS A 574 -0.333 -54.988 -12.603 1.00 43.03 H new ATOM 0 HD3 LYS A 574 -1.518 -53.947 -13.367 1.00 43.03 H new ATOM 0 HE2 LYS A 574 -1.050 -55.780 -14.890 1.00 52.10 H new ATOM 0 HE3 LYS A 574 -0.376 -54.318 -15.581 1.00 52.10 H new ATOM 0 HZ1 LYS A 574 1.044 -56.508 -15.480 1.00 70.11 H new ATOM 0 HZ2 LYS A 574 1.790 -55.010 -15.194 1.00 70.11 H new ATOM 0 HZ3 LYS A 574 1.374 -56.014 -13.890 1.00 70.11 H new ATOM 714 N GLY A 575 1.380 -49.921 -10.380 1.00 62.23 N ATOM 715 CA GLY A 575 1.958 -49.328 -9.193 1.00 24.25 C ATOM 716 C GLY A 575 2.503 -50.320 -8.188 1.00 12.43 C ATOM 717 O GLY A 575 2.662 -51.509 -8.459 1.00 43.21 O ATOM 0 H GLY A 575 1.934 -49.759 -11.221 1.00 62.23 H new ATOM 0 HA2 GLY A 575 2.763 -48.658 -9.494 1.00 24.25 H new ATOM 0 HA3 GLY A 575 1.200 -48.716 -8.704 1.00 24.25 H new ATOM 721 N GLY A 576 2.814 -49.811 -7.005 1.00 50.33 N ATOM 722 CA GLY A 576 3.335 -50.652 -5.947 1.00 11.33 C ATOM 723 C GLY A 576 4.774 -51.003 -6.230 1.00 12.33 C ATOM 724 O GLY A 576 5.650 -50.172 -6.053 1.00 12.00 O ATOM 0 H GLY A 576 2.714 -48.826 -6.758 1.00 50.33 H new ATOM 0 HA2 GLY A 576 3.259 -50.136 -4.990 1.00 11.33 H new ATOM 0 HA3 GLY A 576 2.739 -51.561 -5.867 1.00 11.33 H new ATOM 728 N GLY A 577 5.000 -52.254 -6.603 1.00 5.32 N ATOM 729 CA GLY A 577 6.314 -52.726 -7.018 1.00 3.34 C ATOM 730 C GLY A 577 6.314 -53.336 -8.406 1.00 31.32 C ATOM 731 O GLY A 577 7.171 -54.159 -8.671 1.00 33.21 O ATOM 0 H GLY A 577 4.276 -52.972 -6.627 1.00 5.32 H new ATOM 0 HA2 GLY A 577 7.017 -51.894 -6.993 1.00 3.34 H new ATOM 0 HA3 GLY A 577 6.671 -53.466 -6.302 1.00 3.34 H new ATOM 735 N GLU A 578 5.275 -53.108 -9.202 1.00 34.23 N ATOM 736 CA GLU A 578 5.077 -53.887 -10.435 1.00 70.53 C ATOM 737 C GLU A 578 5.601 -53.269 -11.746 1.00 71.31 C ATOM 738 O GLU A 578 6.256 -53.949 -12.514 1.00 74.50 O ATOM 739 CB GLU A 578 3.601 -54.250 -10.535 1.00 42.31 C ATOM 740 CG GLU A 578 3.257 -55.190 -11.681 1.00 70.33 C ATOM 741 CD GLU A 578 1.935 -55.933 -11.463 1.00 14.23 C ATOM 742 OE1 GLU A 578 1.215 -55.639 -10.483 1.00 4.13 O ATOM 743 OE2 GLU A 578 1.593 -56.793 -12.307 1.00 51.11 O ATOM 0 H GLU A 578 4.561 -52.401 -9.026 1.00 34.23 H new ATOM 0 HA GLU A 578 5.708 -54.770 -10.335 1.00 70.53 H new ATOM 0 HB2 GLU A 578 3.289 -54.711 -9.598 1.00 42.31 H new ATOM 0 HB3 GLU A 578 3.022 -53.334 -10.647 1.00 42.31 H new ATOM 0 HG2 GLU A 578 3.199 -54.619 -12.608 1.00 70.33 H new ATOM 0 HG3 GLU A 578 4.061 -55.916 -11.803 1.00 70.33 H new ATOM 750 N ASP A 579 5.336 -51.992 -11.998 1.00 22.54 N ATOM 751 CA ASP A 579 5.908 -51.297 -13.179 1.00 22.25 C ATOM 752 C ASP A 579 6.976 -50.358 -12.676 1.00 45.34 C ATOM 753 O ASP A 579 7.956 -50.062 -13.350 1.00 73.11 O ATOM 754 CB ASP A 579 4.883 -50.452 -13.937 1.00 43.23 C ATOM 755 CG ASP A 579 3.512 -50.641 -13.452 1.00 64.13 C ATOM 756 OD1 ASP A 579 3.218 -50.169 -12.341 1.00 51.04 O ATOM 757 OD2 ASP A 579 2.667 -51.153 -14.212 1.00 41.34 O ATOM 0 H ASP A 579 4.736 -51.409 -11.415 1.00 22.54 H new ATOM 0 HA ASP A 579 6.283 -52.059 -13.862 1.00 22.25 H new ATOM 0 HB2 ASP A 579 5.152 -49.399 -13.848 1.00 43.23 H new ATOM 0 HB3 ASP A 579 4.925 -50.704 -14.997 1.00 43.23 H new ATOM 762 N PHE A 580 6.789 -49.885 -11.461 1.00 11.33 N ATOM 763 CA PHE A 580 7.788 -49.074 -10.809 1.00 75.03 C ATOM 764 C PHE A 580 7.614 -49.339 -9.340 1.00 13.25 C ATOM 765 O PHE A 580 6.571 -49.839 -8.914 1.00 13.53 O ATOM 766 CB PHE A 580 7.586 -47.585 -11.121 1.00 12.34 C ATOM 767 CG PHE A 580 6.246 -47.057 -10.687 1.00 31.50 C ATOM 768 CD1 PHE A 580 5.982 -46.821 -9.326 1.00 35.21 C ATOM 769 CD2 PHE A 580 5.232 -46.808 -11.626 1.00 53.41 C ATOM 770 CE1 PHE A 580 4.733 -46.365 -8.896 1.00 64.01 C ATOM 771 CE2 PHE A 580 3.974 -46.327 -11.204 1.00 61.41 C ATOM 772 CZ PHE A 580 3.736 -46.113 -9.827 1.00 34.10 C ATOM 0 H PHE A 580 5.950 -50.051 -10.906 1.00 11.33 H new ATOM 0 HA PHE A 580 8.792 -49.322 -11.153 1.00 75.03 H new ATOM 0 HB2 PHE A 580 8.371 -47.009 -10.630 1.00 12.34 H new ATOM 0 HB3 PHE A 580 7.699 -47.428 -12.194 1.00 12.34 H new ATOM 0 HD1 PHE A 580 6.761 -46.996 -8.598 1.00 35.21 H new ATOM 0 HD2 PHE A 580 5.416 -46.985 -12.675 1.00 53.41 H new ATOM 0 HE1 PHE A 580 4.545 -46.210 -7.844 1.00 64.01 H new ATOM 0 HE2 PHE A 580 3.199 -46.124 -11.928 1.00 61.41 H new ATOM 0 HZ PHE A 580 2.773 -45.751 -9.498 1.00 34.10 H new ATOM 782 N GLU A 581 8.605 -48.952 -8.566 1.00 65.14 N ATOM 783 CA GLU A 581 8.499 -48.985 -7.109 1.00 32.03 C ATOM 784 C GLU A 581 8.040 -47.624 -6.611 1.00 24.14 C ATOM 785 O GLU A 581 8.634 -46.603 -6.966 1.00 51.12 O ATOM 786 CB GLU A 581 9.840 -49.364 -6.481 1.00 33.41 C ATOM 787 CG GLU A 581 10.268 -50.775 -6.855 1.00 62.44 C ATOM 788 CD GLU A 581 11.630 -51.165 -6.298 1.00 73.33 C ATOM 789 OE1 GLU A 581 12.253 -50.365 -5.565 1.00 33.11 O ATOM 790 OE2 GLU A 581 12.125 -52.252 -6.683 1.00 23.43 O ATOM 0 H GLU A 581 9.500 -48.608 -8.916 1.00 65.14 H new ATOM 0 HA GLU A 581 7.769 -49.740 -6.818 1.00 32.03 H new ATOM 0 HB2 GLU A 581 10.604 -48.656 -6.803 1.00 33.41 H new ATOM 0 HB3 GLU A 581 9.768 -49.283 -5.396 1.00 33.41 H new ATOM 0 HG2 GLU A 581 9.521 -51.481 -6.493 1.00 62.44 H new ATOM 0 HG3 GLU A 581 10.290 -50.864 -7.941 1.00 62.44 H new ATOM 797 N ASP A 582 6.964 -47.599 -5.825 1.00 5.20 N ATOM 798 CA ASP A 582 6.462 -46.339 -5.268 1.00 20.41 C ATOM 799 C ASP A 582 7.509 -45.777 -4.364 1.00 51.41 C ATOM 800 O ASP A 582 7.888 -46.341 -3.335 1.00 4.11 O ATOM 801 CB ASP A 582 5.162 -46.487 -4.504 1.00 64.40 C ATOM 802 CG ASP A 582 4.579 -45.131 -4.048 1.00 1.23 C ATOM 803 OD1 ASP A 582 5.121 -44.065 -4.429 1.00 44.22 O ATOM 804 OD2 ASP A 582 3.578 -45.136 -3.291 1.00 53.24 O ATOM 0 H ASP A 582 6.427 -48.425 -5.561 1.00 5.20 H new ATOM 0 HA ASP A 582 6.249 -45.673 -6.105 1.00 20.41 H new ATOM 0 HB2 ASP A 582 4.433 -46.998 -5.132 1.00 64.40 H new ATOM 0 HB3 ASP A 582 5.329 -47.118 -3.631 1.00 64.40 H new ATOM 809 N ALA A 583 8.039 -44.689 -4.853 1.00 40.50 N ATOM 810 CA ALA A 583 9.203 -44.082 -4.302 1.00 12.42 C ATOM 811 C ALA A 583 8.857 -42.755 -3.656 1.00 24.41 C ATOM 812 O ALA A 583 8.593 -41.760 -4.332 1.00 25.13 O ATOM 813 CB ALA A 583 10.192 -43.922 -5.370 1.00 61.34 C ATOM 0 H ALA A 583 7.661 -44.196 -5.662 1.00 40.50 H new ATOM 0 HA ALA A 583 9.623 -44.715 -3.520 1.00 12.42 H new ATOM 0 HB1 ALA A 583 11.092 -43.458 -4.966 1.00 61.34 H new ATOM 0 HB2 ALA A 583 10.442 -44.899 -5.784 1.00 61.34 H new ATOM 0 HB3 ALA A 583 9.779 -43.290 -6.156 1.00 61.34 H new ATOM 819 N TYR A 584 8.848 -42.755 -2.336 1.00 71.40 N ATOM 820 CA TYR A 584 8.489 -41.576 -1.574 1.00 62.25 C ATOM 821 C TYR A 584 9.489 -41.334 -0.465 1.00 3.30 C ATOM 822 O TYR A 584 9.982 -42.265 0.167 1.00 32.33 O ATOM 823 CB TYR A 584 7.073 -41.739 -1.022 1.00 34.04 C ATOM 824 CG TYR A 584 6.793 -43.101 -0.421 1.00 32.05 C ATOM 825 CD1 TYR A 584 7.073 -43.387 0.931 1.00 53.33 C ATOM 826 CD2 TYR A 584 6.230 -44.118 -1.215 1.00 51.20 C ATOM 827 CE1 TYR A 584 6.802 -44.679 1.470 1.00 71.22 C ATOM 828 CE2 TYR A 584 5.959 -45.399 -0.691 1.00 63.40 C ATOM 829 CZ TYR A 584 6.253 -45.672 0.648 1.00 74.24 C ATOM 830 OH TYR A 584 6.001 -46.921 1.155 1.00 22.04 O ATOM 0 H TYR A 584 9.088 -43.566 -1.766 1.00 71.40 H new ATOM 0 HA TYR A 584 8.509 -40.703 -2.226 1.00 62.25 H new ATOM 0 HB2 TYR A 584 6.902 -40.977 -0.262 1.00 34.04 H new ATOM 0 HB3 TYR A 584 6.359 -41.555 -1.825 1.00 34.04 H new ATOM 0 HD1 TYR A 584 7.496 -42.621 1.564 1.00 53.33 H new ATOM 0 HD2 TYR A 584 6.000 -43.912 -2.250 1.00 51.20 H new ATOM 0 HE1 TYR A 584 7.019 -44.891 2.507 1.00 71.22 H new ATOM 0 HE2 TYR A 584 5.527 -46.164 -1.320 1.00 63.40 H new ATOM 0 HH TYR A 584 5.620 -47.488 0.453 1.00 22.04 H new ATOM 840 N GLY A 585 9.816 -40.072 -0.249 1.00 5.15 N ATOM 841 CA GLY A 585 10.774 -39.718 0.782 1.00 32.03 C ATOM 842 C GLY A 585 10.792 -38.222 0.924 1.00 55.12 C ATOM 843 O GLY A 585 9.946 -37.554 0.333 1.00 74.14 O ATOM 0 H GLY A 585 9.436 -39.281 -0.769 1.00 5.15 H new ATOM 0 HA2 GLY A 585 10.501 -40.185 1.728 1.00 32.03 H new ATOM 0 HA3 GLY A 585 11.766 -40.085 0.519 1.00 32.03 H new ATOM 847 N GLU A 586 11.741 -37.685 1.676 1.00 63.43 N ATOM 848 CA GLU A 586 11.869 -36.241 1.842 1.00 21.14 C ATOM 849 C GLU A 586 13.237 -35.758 1.413 1.00 34.30 C ATOM 850 O GLU A 586 14.230 -36.475 1.512 1.00 33.10 O ATOM 851 CB GLU A 586 11.630 -35.820 3.288 1.00 73.14 C ATOM 852 CG GLU A 586 10.164 -35.820 3.667 1.00 73.32 C ATOM 853 CD GLU A 586 9.850 -34.962 4.876 1.00 33.43 C ATOM 854 OE1 GLU A 586 10.566 -35.016 5.891 1.00 13.20 O ATOM 855 OE2 GLU A 586 8.856 -34.202 4.794 1.00 64.41 O ATOM 0 H GLU A 586 12.438 -38.229 2.184 1.00 63.43 H new ATOM 0 HA GLU A 586 11.109 -35.787 1.207 1.00 21.14 H new ATOM 0 HB2 GLU A 586 12.172 -36.494 3.952 1.00 73.14 H new ATOM 0 HB3 GLU A 586 12.040 -34.822 3.443 1.00 73.14 H new ATOM 0 HG2 GLU A 586 9.578 -35.466 2.819 1.00 73.32 H new ATOM 0 HG3 GLU A 586 9.849 -36.844 3.867 1.00 73.32 H new ATOM 862 N LEU A 587 13.266 -34.533 0.918 1.00 31.40 N ATOM 863 CA LEU A 587 14.474 -33.929 0.387 1.00 5.54 C ATOM 864 C LEU A 587 14.889 -32.729 1.219 1.00 42.55 C ATOM 865 O LEU A 587 14.144 -31.758 1.329 1.00 13.12 O ATOM 866 CB LEU A 587 14.209 -33.465 -1.045 1.00 5.51 C ATOM 867 CG LEU A 587 13.716 -34.557 -2.003 1.00 13.41 C ATOM 868 CD1 LEU A 587 13.086 -33.923 -3.207 1.00 40.24 C ATOM 869 CD2 LEU A 587 14.827 -35.499 -2.441 1.00 51.11 C ATOM 0 H LEU A 587 12.447 -33.926 0.873 1.00 31.40 H new ATOM 0 HA LEU A 587 15.274 -34.669 0.412 1.00 5.54 H new ATOM 0 HB2 LEU A 587 13.469 -32.665 -1.020 1.00 5.51 H new ATOM 0 HB3 LEU A 587 15.127 -33.038 -1.448 1.00 5.51 H new ATOM 0 HG LEU A 587 12.983 -35.155 -1.462 1.00 13.41 H new ATOM 0 HD11 LEU A 587 12.736 -34.700 -3.886 1.00 40.24 H new ATOM 0 HD12 LEU A 587 12.242 -33.308 -2.895 1.00 40.24 H new ATOM 0 HD13 LEU A 587 13.821 -33.300 -3.716 1.00 40.24 H new ATOM 0 HD21 LEU A 587 14.421 -36.251 -3.118 1.00 51.11 H new ATOM 0 HD22 LEU A 587 15.604 -34.932 -2.953 1.00 51.11 H new ATOM 0 HD23 LEU A 587 15.253 -35.990 -1.566 1.00 51.11 H new ATOM 881 N GLU A 588 16.076 -32.784 1.791 1.00 24.41 N ATOM 882 CA GLU A 588 16.606 -31.669 2.567 1.00 4.14 C ATOM 883 C GLU A 588 17.189 -30.598 1.632 1.00 51.54 C ATOM 884 O GLU A 588 18.191 -30.824 0.952 1.00 2.10 O ATOM 885 CB GLU A 588 17.690 -32.173 3.524 1.00 15.43 C ATOM 886 CG GLU A 588 18.129 -31.131 4.541 1.00 23.02 C ATOM 887 CD GLU A 588 19.319 -31.589 5.381 1.00 54.32 C ATOM 888 OE1 GLU A 588 20.284 -32.131 4.802 1.00 20.25 O ATOM 889 OE2 GLU A 588 19.371 -31.238 6.576 1.00 52.21 O ATOM 0 H GLU A 588 16.698 -33.591 1.735 1.00 24.41 H new ATOM 0 HA GLU A 588 15.795 -31.225 3.145 1.00 4.14 H new ATOM 0 HB2 GLU A 588 17.319 -33.051 4.052 1.00 15.43 H new ATOM 0 HB3 GLU A 588 18.556 -32.492 2.944 1.00 15.43 H new ATOM 0 HG2 GLU A 588 18.391 -30.210 4.021 1.00 23.02 H new ATOM 0 HG3 GLU A 588 17.293 -30.898 5.200 1.00 23.02 H new ATOM 896 N PHE A 589 16.563 -29.431 1.610 1.00 12.11 N ATOM 897 CA PHE A 589 17.027 -28.292 0.812 1.00 21.52 C ATOM 898 C PHE A 589 17.526 -27.209 1.740 1.00 4.30 C ATOM 899 O PHE A 589 16.896 -26.912 2.734 1.00 52.43 O ATOM 900 CB PHE A 589 15.883 -27.682 0.017 1.00 32.42 C ATOM 901 CG PHE A 589 15.627 -28.346 -1.288 1.00 74.44 C ATOM 902 CD1 PHE A 589 14.751 -29.444 -1.382 1.00 31.30 C ATOM 903 CD2 PHE A 589 16.214 -27.836 -2.459 1.00 3.15 C ATOM 904 CE1 PHE A 589 14.450 -30.010 -2.637 1.00 42.23 C ATOM 905 CE2 PHE A 589 15.922 -28.392 -3.712 1.00 74.43 C ATOM 906 CZ PHE A 589 15.034 -29.472 -3.801 1.00 61.45 C ATOM 0 H PHE A 589 15.716 -29.241 2.145 1.00 12.11 H new ATOM 0 HA PHE A 589 17.807 -28.652 0.141 1.00 21.52 H new ATOM 0 HB2 PHE A 589 14.975 -27.724 0.618 1.00 32.42 H new ATOM 0 HB3 PHE A 589 16.099 -26.629 -0.160 1.00 32.42 H new ATOM 0 HD1 PHE A 589 14.307 -29.855 -0.487 1.00 31.30 H new ATOM 0 HD2 PHE A 589 16.900 -27.004 -2.392 1.00 3.15 H new ATOM 0 HE1 PHE A 589 13.776 -30.851 -2.706 1.00 42.23 H new ATOM 0 HE2 PHE A 589 16.379 -27.990 -4.604 1.00 74.43 H new ATOM 0 HZ PHE A 589 14.796 -29.894 -4.766 1.00 61.45 H new ATOM 916 N LYS A 590 18.630 -26.579 1.381 1.00 24.41 N ATOM 917 CA LYS A 590 19.238 -25.510 2.180 1.00 45.40 C ATOM 918 C LYS A 590 19.554 -24.365 1.235 1.00 32.44 C ATOM 919 O LYS A 590 19.212 -24.435 0.058 1.00 74.31 O ATOM 920 CB LYS A 590 20.524 -26.007 2.860 1.00 1.44 C ATOM 921 CG LYS A 590 20.316 -27.282 3.648 1.00 21.01 C ATOM 922 CD LYS A 590 21.568 -27.776 4.334 1.00 0.11 C ATOM 923 CE LYS A 590 21.217 -29.088 4.991 1.00 11.51 C ATOM 924 NZ LYS A 590 22.336 -29.857 5.606 1.00 72.12 N ATOM 0 H LYS A 590 19.139 -26.790 0.523 1.00 24.41 H new ATOM 0 HA LYS A 590 18.555 -25.187 2.966 1.00 45.40 H new ATOM 0 HB2 LYS A 590 21.289 -26.175 2.102 1.00 1.44 H new ATOM 0 HB3 LYS A 590 20.900 -25.231 3.526 1.00 1.44 H new ATOM 0 HG2 LYS A 590 19.542 -27.115 4.397 1.00 21.01 H new ATOM 0 HG3 LYS A 590 19.948 -28.058 2.977 1.00 21.01 H new ATOM 0 HD2 LYS A 590 22.376 -27.908 3.615 1.00 0.11 H new ATOM 0 HD3 LYS A 590 21.914 -27.054 5.073 1.00 0.11 H new ATOM 0 HE2 LYS A 590 20.475 -28.892 5.765 1.00 11.51 H new ATOM 0 HE3 LYS A 590 20.739 -29.723 4.245 1.00 11.51 H new ATOM 0 HZ1 LYS A 590 22.117 -30.873 5.576 1.00 72.12 H new ATOM 0 HZ2 LYS A 590 23.213 -29.676 5.077 1.00 72.12 H new ATOM 0 HZ3 LYS A 590 22.460 -29.559 6.595 1.00 72.12 H new ATOM 938 N ASN A 591 20.199 -23.334 1.757 1.00 15.12 N ATOM 939 CA ASN A 591 20.573 -22.152 0.976 1.00 33.43 C ATOM 940 C ASN A 591 21.231 -22.422 -0.392 1.00 3.55 C ATOM 941 O ASN A 591 20.720 -21.975 -1.402 1.00 71.14 O ATOM 942 CB ASN A 591 21.532 -21.310 1.819 1.00 35.11 C ATOM 943 CG ASN A 591 21.764 -19.930 1.239 1.00 4.11 C ATOM 944 OD1 ASN A 591 20.746 -19.347 0.674 1.00 51.23 O flip ATOM 945 ND2 ASN A 591 22.840 -19.381 1.344 1.00 0.10 N flip ATOM 0 H ASN A 591 20.481 -23.287 2.736 1.00 15.12 H new ATOM 0 HA ASN A 591 19.636 -21.646 0.745 1.00 33.43 H new ATOM 0 HB2 ASN A 591 21.132 -21.213 2.828 1.00 35.11 H new ATOM 0 HB3 ASN A 591 22.487 -21.829 1.903 1.00 35.11 H new ATOM 0 HD21 ASN A 591 23.618 -19.865 1.792 1.00 0.10 H new ATOM 0 HD22 ASN A 591 22.967 -18.435 0.984 1.00 0.10 H new ATOM 952 N ASP A 592 22.371 -23.101 -0.409 1.00 34.43 N ATOM 953 CA ASP A 592 23.128 -23.373 -1.646 1.00 63.45 C ATOM 954 C ASP A 592 22.541 -24.583 -2.379 1.00 45.33 C ATOM 955 O ASP A 592 22.511 -24.664 -3.602 1.00 13.23 O ATOM 956 CB ASP A 592 24.585 -23.690 -1.285 1.00 62.04 C ATOM 957 CG ASP A 592 25.068 -22.913 -0.073 1.00 4.24 C ATOM 958 OD1 ASP A 592 24.706 -23.308 1.069 1.00 61.42 O ATOM 959 OD2 ASP A 592 25.767 -21.897 -0.247 1.00 75.14 O ATOM 0 H ASP A 592 22.806 -23.483 0.431 1.00 34.43 H new ATOM 0 HA ASP A 592 23.070 -22.495 -2.289 1.00 63.45 H new ATOM 0 HB2 ASP A 592 24.683 -24.758 -1.090 1.00 62.04 H new ATOM 0 HB3 ASP A 592 25.225 -23.461 -2.137 1.00 62.04 H new ATOM 964 N GLU A 593 22.051 -25.488 -1.547 1.00 53.21 N ATOM 965 CA GLU A 593 21.412 -26.778 -1.893 1.00 53.22 C ATOM 966 C GLU A 593 20.167 -26.755 -2.793 1.00 52.34 C ATOM 967 O GLU A 593 19.341 -27.659 -2.730 1.00 64.32 O ATOM 968 CB GLU A 593 21.143 -27.573 -0.612 1.00 63.22 C ATOM 969 CG GLU A 593 22.397 -28.030 0.123 1.00 5.33 C ATOM 970 CD GLU A 593 23.182 -29.072 -0.656 1.00 12.01 C ATOM 971 OE1 GLU A 593 22.565 -30.068 -1.097 1.00 51.24 O ATOM 972 OE2 GLU A 593 24.405 -28.922 -0.792 1.00 13.22 O ATOM 0 H GLU A 593 22.084 -25.344 -0.538 1.00 53.21 H new ATOM 0 HA GLU A 593 22.147 -27.264 -2.535 1.00 53.22 H new ATOM 0 HB2 GLU A 593 20.545 -26.960 0.062 1.00 63.22 H new ATOM 0 HB3 GLU A 593 20.544 -28.449 -0.862 1.00 63.22 H new ATOM 0 HG2 GLU A 593 23.036 -27.168 0.316 1.00 5.33 H new ATOM 0 HG3 GLU A 593 22.116 -28.441 1.092 1.00 5.33 H new ATOM 979 N THR A 594 19.937 -25.657 -3.492 1.00 13.44 N ATOM 980 CA THR A 594 18.695 -25.428 -4.235 1.00 22.11 C ATOM 981 C THR A 594 18.556 -26.303 -5.472 1.00 64.44 C ATOM 982 O THR A 594 17.612 -26.147 -6.248 1.00 60.23 O ATOM 983 CB THR A 594 18.677 -23.991 -4.799 1.00 41.12 C ATOM 984 OG1 THR A 594 19.803 -23.810 -5.666 1.00 11.21 O ATOM 985 CG2 THR A 594 18.771 -22.976 -3.717 1.00 4.15 C ATOM 0 H THR A 594 20.606 -24.891 -3.565 1.00 13.44 H new ATOM 0 HA THR A 594 17.901 -25.641 -3.519 1.00 22.11 H new ATOM 0 HB THR A 594 17.736 -23.858 -5.333 1.00 41.12 H new ATOM 0 HG1 THR A 594 19.794 -22.899 -6.028 1.00 11.21 H new ATOM 0 HG21 THR A 594 18.755 -21.977 -4.153 1.00 4.15 H new ATOM 0 HG22 THR A 594 17.926 -23.089 -3.038 1.00 4.15 H new ATOM 0 HG23 THR A 594 19.701 -23.117 -3.166 1.00 4.15 H new ATOM 993 N VAL A 595 19.451 -27.269 -5.616 1.00 61.43 N ATOM 994 CA VAL A 595 19.365 -28.262 -6.680 1.00 33.24 C ATOM 995 C VAL A 595 19.347 -29.626 -6.009 1.00 51.42 C ATOM 996 O VAL A 595 20.207 -29.928 -5.182 1.00 71.41 O ATOM 997 CB VAL A 595 20.578 -28.185 -7.650 1.00 45.15 C ATOM 998 CG1 VAL A 595 20.161 -28.645 -9.053 1.00 13.31 C ATOM 999 CG2 VAL A 595 21.152 -26.750 -7.706 1.00 22.30 C ATOM 0 H VAL A 595 20.256 -27.388 -5.001 1.00 61.43 H new ATOM 0 HA VAL A 595 18.469 -28.081 -7.273 1.00 33.24 H new ATOM 0 HB VAL A 595 21.358 -28.848 -7.275 1.00 45.15 H new ATOM 0 HG11 VAL A 595 21.018 -28.587 -9.724 1.00 13.31 H new ATOM 0 HG12 VAL A 595 19.804 -29.674 -9.008 1.00 13.31 H new ATOM 0 HG13 VAL A 595 19.364 -28.001 -9.425 1.00 13.31 H new ATOM 0 HG21 VAL A 595 21.999 -26.723 -8.391 1.00 22.30 H new ATOM 0 HG22 VAL A 595 20.381 -26.063 -8.055 1.00 22.30 H new ATOM 0 HG23 VAL A 595 21.481 -26.451 -6.711 1.00 22.30 H new ATOM 1009 N LYS A 596 18.350 -30.437 -6.330 1.00 62.51 N ATOM 1010 CA LYS A 596 18.228 -31.766 -5.737 1.00 12.51 C ATOM 1011 C LYS A 596 17.587 -32.692 -6.733 1.00 42.01 C ATOM 1012 O LYS A 596 17.138 -32.249 -7.782 1.00 11.21 O ATOM 1013 CB LYS A 596 17.365 -31.692 -4.474 1.00 65.35 C ATOM 1014 CG LYS A 596 17.586 -32.819 -3.457 1.00 0.30 C ATOM 1015 CD LYS A 596 18.987 -32.835 -2.870 1.00 33.40 C ATOM 1016 CE LYS A 596 19.184 -31.606 -2.013 1.00 31.33 C ATOM 1017 NZ LYS A 596 20.340 -31.694 -1.072 1.00 31.12 N ATOM 0 H LYS A 596 17.614 -30.202 -6.996 1.00 62.51 H new ATOM 0 HA LYS A 596 19.217 -32.140 -5.471 1.00 12.51 H new ATOM 0 HB2 LYS A 596 17.554 -30.739 -3.981 1.00 65.35 H new ATOM 0 HB3 LYS A 596 16.316 -31.694 -4.771 1.00 65.35 H new ATOM 0 HG2 LYS A 596 16.862 -32.716 -2.648 1.00 0.30 H new ATOM 0 HG3 LYS A 596 17.391 -33.777 -3.939 1.00 0.30 H new ATOM 0 HD2 LYS A 596 19.133 -33.736 -2.274 1.00 33.40 H new ATOM 0 HD3 LYS A 596 19.728 -32.858 -3.669 1.00 33.40 H new ATOM 0 HE2 LYS A 596 19.324 -30.742 -2.663 1.00 31.33 H new ATOM 0 HE3 LYS A 596 18.275 -31.428 -1.438 1.00 31.33 H new ATOM 0 HZ1 LYS A 596 20.016 -31.496 -0.104 1.00 31.12 H new ATOM 0 HZ2 LYS A 596 20.748 -32.650 -1.112 1.00 31.12 H new ATOM 0 HZ3 LYS A 596 21.063 -30.998 -1.344 1.00 31.12 H new ATOM 1031 N THR A 597 17.527 -33.968 -6.407 1.00 72.21 N ATOM 1032 CA THR A 597 16.949 -34.939 -7.288 1.00 52.31 C ATOM 1033 C THR A 597 16.111 -35.969 -6.549 1.00 50.30 C ATOM 1034 O THR A 597 16.376 -36.285 -5.393 1.00 34.04 O ATOM 1035 CB THR A 597 18.079 -35.655 -8.000 1.00 34.33 C ATOM 1036 OG1 THR A 597 19.327 -35.255 -7.424 1.00 33.12 O ATOM 1037 CG2 THR A 597 18.117 -35.309 -9.484 1.00 11.44 C ATOM 0 H THR A 597 17.877 -34.350 -5.528 1.00 72.21 H new ATOM 0 HA THR A 597 16.291 -34.418 -7.983 1.00 52.31 H new ATOM 0 HB THR A 597 17.914 -36.727 -7.889 1.00 34.33 H new ATOM 0 HG1 THR A 597 20.061 -35.717 -7.880 1.00 33.12 H new ATOM 0 HG21 THR A 597 18.940 -35.841 -9.961 1.00 11.44 H new ATOM 0 HG22 THR A 597 17.177 -35.603 -9.950 1.00 11.44 H new ATOM 0 HG23 THR A 597 18.261 -34.235 -9.604 1.00 11.44 H new ATOM 1045 N ILE A 598 15.114 -36.496 -7.244 1.00 1.22 N ATOM 1046 CA ILE A 598 14.258 -37.573 -6.742 1.00 51.23 C ATOM 1047 C ILE A 598 14.593 -38.770 -7.583 1.00 51.34 C ATOM 1048 O ILE A 598 14.702 -38.644 -8.782 1.00 51.43 O ATOM 1049 CB ILE A 598 12.752 -37.243 -6.927 1.00 54.23 C ATOM 1050 CG1 ILE A 598 12.373 -36.175 -5.906 1.00 65.42 C ATOM 1051 CG2 ILE A 598 11.864 -38.531 -6.783 1.00 44.20 C ATOM 1052 CD1 ILE A 598 11.035 -35.496 -6.118 1.00 44.42 C ATOM 0 H ILE A 598 14.869 -36.187 -8.185 1.00 1.22 H new ATOM 0 HA ILE A 598 14.427 -37.730 -5.677 1.00 51.23 H new ATOM 0 HB ILE A 598 12.573 -36.863 -7.933 1.00 54.23 H new ATOM 0 HG12 ILE A 598 12.373 -36.631 -4.916 1.00 65.42 H new ATOM 0 HG13 ILE A 598 13.150 -35.410 -5.905 1.00 65.42 H new ATOM 0 HG21 ILE A 598 10.815 -38.267 -6.918 1.00 44.20 H new ATOM 0 HG22 ILE A 598 12.155 -39.260 -7.540 1.00 44.20 H new ATOM 0 HG23 ILE A 598 12.005 -38.961 -5.792 1.00 44.20 H new ATOM 0 HD11 ILE A 598 10.873 -34.757 -5.333 1.00 44.42 H new ATOM 0 HD12 ILE A 598 11.028 -35.001 -7.089 1.00 44.42 H new ATOM 0 HD13 ILE A 598 10.240 -36.241 -6.085 1.00 44.42 H new ATOM 1064 N ARG A 599 14.743 -39.919 -6.950 1.00 20.31 N ATOM 1065 CA ARG A 599 15.044 -41.173 -7.645 1.00 40.01 C ATOM 1066 C ARG A 599 13.899 -42.154 -7.467 1.00 54.21 C ATOM 1067 O ARG A 599 13.403 -42.325 -6.359 1.00 54.31 O ATOM 1068 CB ARG A 599 16.325 -41.790 -7.086 1.00 52.14 C ATOM 1069 CG ARG A 599 17.546 -41.155 -7.678 1.00 15.53 C ATOM 1070 CD ARG A 599 18.825 -41.862 -7.332 1.00 22.32 C ATOM 1071 NE ARG A 599 19.925 -41.195 -8.043 1.00 42.15 N ATOM 1072 CZ ARG A 599 21.150 -41.665 -8.209 1.00 41.04 C ATOM 1073 NH1 ARG A 599 21.540 -42.818 -7.723 1.00 52.21 N ATOM 1074 NH2 ARG A 599 21.994 -40.942 -8.887 1.00 70.42 N ATOM 0 H ARG A 599 14.661 -40.017 -5.938 1.00 20.31 H new ATOM 0 HA ARG A 599 15.178 -40.958 -8.705 1.00 40.01 H new ATOM 0 HB2 ARG A 599 16.343 -41.674 -6.002 1.00 52.14 H new ATOM 0 HB3 ARG A 599 16.334 -42.860 -7.292 1.00 52.14 H new ATOM 0 HG2 ARG A 599 17.440 -41.126 -8.762 1.00 15.53 H new ATOM 0 HG3 ARG A 599 17.609 -40.122 -7.336 1.00 15.53 H new ATOM 0 HD2 ARG A 599 18.996 -41.834 -6.256 1.00 22.32 H new ATOM 0 HD3 ARG A 599 18.768 -42.912 -7.619 1.00 22.32 H new ATOM 0 HE ARG A 599 19.724 -40.281 -8.448 1.00 42.15 H new ATOM 0 HH11 ARG A 599 20.888 -43.394 -7.191 1.00 52.21 H new ATOM 0 HH12 ARG A 599 22.496 -43.139 -7.877 1.00 52.21 H new ATOM 0 HH21 ARG A 599 21.702 -40.043 -9.271 1.00 70.42 H new ATOM 0 HH22 ARG A 599 22.947 -41.274 -9.034 1.00 70.42 H new ATOM 1088 N VAL A 600 13.500 -42.795 -8.556 1.00 41.12 N ATOM 1089 CA VAL A 600 12.426 -43.799 -8.541 1.00 73.02 C ATOM 1090 C VAL A 600 12.899 -45.006 -9.344 1.00 44.40 C ATOM 1091 O VAL A 600 13.305 -44.851 -10.493 1.00 64.04 O ATOM 1092 CB VAL A 600 11.124 -43.240 -9.202 1.00 40.14 C ATOM 1093 CG1 VAL A 600 10.015 -44.278 -9.218 1.00 63.34 C ATOM 1094 CG2 VAL A 600 10.675 -41.951 -8.504 1.00 63.33 C ATOM 0 H VAL A 600 13.906 -42.640 -9.479 1.00 41.12 H new ATOM 0 HA VAL A 600 12.202 -44.067 -7.508 1.00 73.02 H new ATOM 0 HB VAL A 600 11.352 -43.000 -10.241 1.00 40.14 H new ATOM 0 HG11 VAL A 600 9.126 -43.854 -9.685 1.00 63.34 H new ATOM 0 HG12 VAL A 600 10.341 -45.150 -9.785 1.00 63.34 H new ATOM 0 HG13 VAL A 600 9.781 -44.576 -8.196 1.00 63.34 H new ATOM 0 HG21 VAL A 600 9.767 -41.577 -8.978 1.00 63.33 H new ATOM 0 HG22 VAL A 600 10.476 -42.157 -7.452 1.00 63.33 H new ATOM 0 HG23 VAL A 600 11.462 -41.201 -8.584 1.00 63.33 H new ATOM 1104 N LYS A 601 12.886 -46.193 -8.748 1.00 52.42 N ATOM 1105 CA LYS A 601 13.317 -47.394 -9.467 1.00 74.41 C ATOM 1106 C LYS A 601 12.174 -47.890 -10.345 1.00 10.01 C ATOM 1107 O LYS A 601 11.027 -47.949 -9.905 1.00 15.43 O ATOM 1108 CB LYS A 601 13.747 -48.503 -8.498 1.00 25.22 C ATOM 1109 CG LYS A 601 14.287 -49.732 -9.235 1.00 22.13 C ATOM 1110 CD LYS A 601 14.699 -50.852 -8.304 1.00 63.23 C ATOM 1111 CE LYS A 601 14.616 -52.212 -9.021 1.00 72.12 C ATOM 1112 NZ LYS A 601 13.188 -52.574 -9.366 1.00 21.40 N ATOM 0 H LYS A 601 12.588 -46.353 -7.786 1.00 52.42 H new ATOM 0 HA LYS A 601 14.178 -47.137 -10.083 1.00 74.41 H new ATOM 0 HB2 LYS A 601 14.513 -48.119 -7.824 1.00 25.22 H new ATOM 0 HB3 LYS A 601 12.897 -48.795 -7.881 1.00 25.22 H new ATOM 0 HG2 LYS A 601 13.524 -50.100 -9.921 1.00 22.13 H new ATOM 0 HG3 LYS A 601 15.144 -49.437 -9.840 1.00 22.13 H new ATOM 0 HD2 LYS A 601 15.716 -50.683 -7.951 1.00 63.23 H new ATOM 0 HD3 LYS A 601 14.053 -50.858 -7.426 1.00 63.23 H new ATOM 0 HE2 LYS A 601 15.214 -52.181 -9.932 1.00 72.12 H new ATOM 0 HE3 LYS A 601 15.045 -52.986 -8.385 1.00 72.12 H new ATOM 0 HZ1 LYS A 601 13.122 -53.597 -9.544 1.00 21.40 H new ATOM 0 HZ2 LYS A 601 12.564 -52.320 -8.574 1.00 21.40 H new ATOM 0 HZ3 LYS A 601 12.894 -52.055 -10.218 1.00 21.40 H new ATOM 1126 N ILE A 602 12.499 -48.252 -11.574 1.00 73.11 N ATOM 1127 CA ILE A 602 11.523 -48.790 -12.512 1.00 60.25 C ATOM 1128 C ILE A 602 11.648 -50.312 -12.430 1.00 31.40 C ATOM 1129 O ILE A 602 12.738 -50.836 -12.177 1.00 41.04 O ATOM 1130 CB ILE A 602 11.778 -48.272 -13.974 1.00 70.33 C ATOM 1131 CG1 ILE A 602 12.057 -46.743 -13.970 1.00 72.24 C ATOM 1132 CG2 ILE A 602 10.559 -48.602 -14.880 1.00 20.12 C ATOM 1133 CD1 ILE A 602 10.919 -45.865 -13.422 1.00 31.04 C ATOM 0 H ILE A 602 13.444 -48.182 -11.951 1.00 73.11 H new ATOM 0 HA ILE A 602 10.515 -48.463 -12.256 1.00 60.25 H new ATOM 0 HB ILE A 602 12.656 -48.778 -14.375 1.00 70.33 H new ATOM 0 HG12 ILE A 602 12.954 -46.556 -13.379 1.00 72.24 H new ATOM 0 HG13 ILE A 602 12.276 -46.428 -14.990 1.00 72.24 H new ATOM 0 HG21 ILE A 602 10.747 -48.238 -15.890 1.00 20.12 H new ATOM 0 HG22 ILE A 602 10.406 -49.681 -14.905 1.00 20.12 H new ATOM 0 HG23 ILE A 602 9.667 -48.118 -14.481 1.00 20.12 H new ATOM 0 HD11 ILE A 602 11.216 -44.817 -13.464 1.00 31.04 H new ATOM 0 HD12 ILE A 602 10.023 -46.013 -14.025 1.00 31.04 H new ATOM 0 HD13 ILE A 602 10.711 -46.142 -12.389 1.00 31.04 H new ATOM 1145 N VAL A 603 10.533 -51.007 -12.561 1.00 43.24 N ATOM 1146 CA VAL A 603 10.493 -52.469 -12.487 1.00 71.13 C ATOM 1147 C VAL A 603 10.226 -53.043 -13.890 1.00 41.20 C ATOM 1148 O VAL A 603 9.496 -52.456 -14.682 1.00 4.32 O ATOM 1149 CB VAL A 603 9.388 -52.919 -11.488 1.00 34.14 C ATOM 1150 CG1 VAL A 603 9.337 -54.438 -11.348 1.00 5.13 C ATOM 1151 CG2 VAL A 603 9.642 -52.303 -10.108 1.00 4.44 C ATOM 0 H VAL A 603 9.622 -50.578 -12.723 1.00 43.24 H new ATOM 0 HA VAL A 603 11.451 -52.845 -12.129 1.00 71.13 H new ATOM 0 HB VAL A 603 8.433 -52.574 -11.885 1.00 34.14 H new ATOM 0 HG11 VAL A 603 8.553 -54.712 -10.642 1.00 5.13 H new ATOM 0 HG12 VAL A 603 9.124 -54.886 -12.319 1.00 5.13 H new ATOM 0 HG13 VAL A 603 10.297 -54.802 -10.983 1.00 5.13 H new ATOM 0 HG21 VAL A 603 8.863 -52.625 -9.417 1.00 4.44 H new ATOM 0 HG22 VAL A 603 10.613 -52.630 -9.737 1.00 4.44 H new ATOM 0 HG23 VAL A 603 9.631 -51.216 -10.187 1.00 4.44 H new ATOM 1295 N GLU A 612 3.116 -47.002 -20.299 1.00 73.42 N ATOM 1296 CA GLU A 612 2.631 -46.652 -18.976 1.00 73.53 C ATOM 1297 C GLU A 612 3.057 -45.257 -18.598 1.00 25.31 C ATOM 1298 O GLU A 612 4.019 -44.709 -19.130 1.00 64.52 O ATOM 1299 CB GLU A 612 3.094 -47.674 -17.946 1.00 45.24 C ATOM 1300 CG GLU A 612 2.596 -49.073 -18.269 1.00 45.55 C ATOM 1301 CD GLU A 612 1.074 -49.130 -18.506 1.00 52.14 C ATOM 1302 OE1 GLU A 612 0.314 -49.287 -17.529 1.00 11.04 O ATOM 1303 OE2 GLU A 612 0.648 -49.087 -19.682 1.00 13.22 O ATOM 0 HA GLU A 612 1.541 -46.668 -18.995 1.00 73.53 H new ATOM 0 HB2 GLU A 612 4.183 -47.678 -17.903 1.00 45.24 H new ATOM 0 HB3 GLU A 612 2.737 -47.381 -16.959 1.00 45.24 H new ATOM 0 HG2 GLU A 612 3.111 -49.440 -19.157 1.00 45.55 H new ATOM 0 HG3 GLU A 612 2.856 -49.744 -17.450 1.00 45.55 H new ATOM 1310 N ASN A 613 2.260 -44.654 -17.739 1.00 24.44 N ATOM 1311 CA ASN A 613 2.358 -43.248 -17.413 1.00 51.34 C ATOM 1312 C ASN A 613 2.247 -43.070 -15.920 1.00 71.33 C ATOM 1313 O ASN A 613 1.318 -43.556 -15.267 1.00 73.13 O ATOM 1314 CB ASN A 613 1.227 -42.516 -18.133 1.00 61.02 C ATOM 1315 CG ASN A 613 0.708 -41.335 -17.376 1.00 4.11 C ATOM 1316 OD1 ASN A 613 -0.307 -41.420 -16.708 1.00 52.41 O ATOM 1317 ND2 ASN A 613 1.359 -40.218 -17.517 1.00 40.13 N ATOM 0 H ASN A 613 1.513 -45.137 -17.240 1.00 24.44 H new ATOM 0 HA ASN A 613 3.317 -42.840 -17.732 1.00 51.34 H new ATOM 0 HB2 ASN A 613 1.582 -42.185 -19.109 1.00 61.02 H new ATOM 0 HB3 ASN A 613 0.408 -43.213 -18.311 1.00 61.02 H new ATOM 0 HD21 ASN A 613 1.023 -39.371 -17.059 1.00 40.13 H new ATOM 0 HD22 ASN A 613 2.205 -40.189 -18.085 1.00 40.13 H new ATOM 1324 N PHE A 614 3.210 -42.357 -15.384 1.00 40.43 N ATOM 1325 CA PHE A 614 3.244 -42.047 -13.970 1.00 51.22 C ATOM 1326 C PHE A 614 3.954 -40.719 -13.839 1.00 5.44 C ATOM 1327 O PHE A 614 4.575 -40.244 -14.778 1.00 62.23 O ATOM 1328 CB PHE A 614 3.952 -43.153 -13.168 1.00 45.10 C ATOM 1329 CG PHE A 614 5.451 -43.011 -13.110 1.00 64.04 C ATOM 1330 CD1 PHE A 614 6.050 -42.283 -12.064 1.00 34.24 C ATOM 1331 CD2 PHE A 614 6.272 -43.618 -14.076 1.00 4.22 C ATOM 1332 CE1 PHE A 614 7.449 -42.151 -11.971 1.00 63.02 C ATOM 1333 CE2 PHE A 614 7.681 -43.501 -13.995 1.00 5.23 C ATOM 1334 CZ PHE A 614 8.268 -42.768 -12.937 1.00 43.23 C ATOM 0 H PHE A 614 3.993 -41.975 -15.914 1.00 40.43 H new ATOM 0 HA PHE A 614 2.236 -41.987 -13.560 1.00 51.22 H new ATOM 0 HB2 PHE A 614 3.559 -43.157 -12.151 1.00 45.10 H new ATOM 0 HB3 PHE A 614 3.707 -44.119 -13.608 1.00 45.10 H new ATOM 0 HD1 PHE A 614 5.424 -41.816 -11.318 1.00 34.24 H new ATOM 0 HD2 PHE A 614 5.826 -44.177 -14.885 1.00 4.22 H new ATOM 0 HE1 PHE A 614 7.890 -41.582 -11.166 1.00 63.02 H new ATOM 0 HE2 PHE A 614 8.306 -43.971 -14.740 1.00 5.23 H new ATOM 0 HZ PHE A 614 9.342 -42.682 -12.870 1.00 43.23 H new ATOM 1344 N PHE A 615 3.829 -40.094 -12.690 1.00 65.11 N ATOM 1345 CA PHE A 615 4.428 -38.800 -12.444 1.00 12.10 C ATOM 1346 C PHE A 615 4.835 -38.770 -10.990 1.00 3.34 C ATOM 1347 O PHE A 615 4.502 -39.669 -10.254 1.00 13.41 O ATOM 1348 CB PHE A 615 3.432 -37.677 -12.740 1.00 11.30 C ATOM 1349 CG PHE A 615 2.014 -38.141 -12.973 1.00 13.04 C ATOM 1350 CD1 PHE A 615 1.626 -38.639 -14.225 1.00 42.53 C ATOM 1351 CD2 PHE A 615 1.050 -38.050 -11.955 1.00 53.22 C ATOM 1352 CE1 PHE A 615 0.302 -39.051 -14.467 1.00 4.12 C ATOM 1353 CE2 PHE A 615 -0.289 -38.463 -12.188 1.00 24.10 C ATOM 1354 CZ PHE A 615 -0.655 -38.969 -13.447 1.00 15.34 C ATOM 0 H PHE A 615 3.308 -40.469 -11.897 1.00 65.11 H new ATOM 0 HA PHE A 615 5.290 -38.648 -13.093 1.00 12.10 H new ATOM 0 HB2 PHE A 615 3.438 -36.974 -11.907 1.00 11.30 H new ATOM 0 HB3 PHE A 615 3.771 -37.131 -13.620 1.00 11.30 H new ATOM 0 HD1 PHE A 615 2.356 -38.708 -15.018 1.00 42.53 H new ATOM 0 HD2 PHE A 615 1.330 -37.663 -10.986 1.00 53.22 H new ATOM 0 HE1 PHE A 615 0.024 -39.430 -15.439 1.00 4.12 H new ATOM 0 HE2 PHE A 615 -1.024 -38.388 -11.400 1.00 24.10 H new ATOM 0 HZ PHE A 615 -1.669 -39.293 -13.627 1.00 15.34 H new ATOM 1364 N ILE A 616 5.562 -37.755 -10.556 1.00 14.15 N ATOM 1365 CA ILE A 616 5.954 -37.655 -9.148 1.00 31.11 C ATOM 1366 C ILE A 616 5.577 -36.267 -8.694 1.00 22.52 C ATOM 1367 O ILE A 616 6.042 -35.289 -9.268 1.00 24.23 O ATOM 1368 CB ILE A 616 7.484 -37.809 -8.978 1.00 24.35 C ATOM 1369 CG1 ILE A 616 8.012 -39.047 -9.723 1.00 32.33 C ATOM 1370 CG2 ILE A 616 7.868 -37.918 -7.493 1.00 15.22 C ATOM 1371 CD1 ILE A 616 9.464 -38.953 -10.000 1.00 74.21 C ATOM 0 H ILE A 616 5.893 -36.992 -11.146 1.00 14.15 H new ATOM 0 HA ILE A 616 5.462 -38.440 -8.574 1.00 31.11 H new ATOM 0 HB ILE A 616 7.940 -36.916 -9.406 1.00 24.35 H new ATOM 0 HG12 ILE A 616 7.814 -39.939 -9.129 1.00 32.33 H new ATOM 0 HG13 ILE A 616 7.471 -39.163 -10.662 1.00 32.33 H new ATOM 0 HG21 ILE A 616 8.949 -38.025 -7.404 1.00 15.22 H new ATOM 0 HG22 ILE A 616 7.548 -37.018 -6.967 1.00 15.22 H new ATOM 0 HG23 ILE A 616 7.380 -38.788 -7.054 1.00 15.22 H new ATOM 0 HD11 ILE A 616 9.793 -39.849 -10.527 1.00 74.21 H new ATOM 0 HD12 ILE A 616 9.661 -38.076 -10.617 1.00 74.21 H new ATOM 0 HD13 ILE A 616 10.009 -38.865 -9.060 1.00 74.21 H new ATOM 1383 N ALA A 617 4.721 -36.171 -7.692 1.00 24.44 N ATOM 1384 CA ALA A 617 4.263 -34.872 -7.217 1.00 11.41 C ATOM 1385 C ALA A 617 4.891 -34.646 -5.844 1.00 2.03 C ATOM 1386 O ALA A 617 4.994 -35.589 -5.049 1.00 31.32 O ATOM 1387 CB ALA A 617 2.732 -34.851 -7.124 1.00 22.25 C ATOM 0 H ALA A 617 4.330 -36.970 -7.193 1.00 24.44 H new ATOM 0 HA ALA A 617 4.559 -34.080 -7.905 1.00 11.41 H new ATOM 0 HB1 ALA A 617 2.402 -33.875 -6.768 1.00 22.25 H new ATOM 0 HB2 ALA A 617 2.305 -35.041 -8.109 1.00 22.25 H new ATOM 0 HB3 ALA A 617 2.399 -35.622 -6.429 1.00 22.25 H new ATOM 1393 N LEU A 618 5.300 -33.421 -5.548 1.00 21.51 N ATOM 1394 CA LEU A 618 5.790 -33.112 -4.215 1.00 25.23 C ATOM 1395 C LEU A 618 4.593 -32.985 -3.290 1.00 43.13 C ATOM 1396 O LEU A 618 3.512 -32.604 -3.721 1.00 14.22 O ATOM 1397 CB LEU A 618 6.587 -31.800 -4.191 1.00 12.10 C ATOM 1398 CG LEU A 618 7.883 -31.696 -5.017 1.00 64.43 C ATOM 1399 CD1 LEU A 618 8.638 -33.001 -5.074 1.00 13.43 C ATOM 1400 CD2 LEU A 618 7.602 -31.145 -6.386 1.00 5.13 C ATOM 0 H LEU A 618 5.303 -32.637 -6.201 1.00 21.51 H new ATOM 0 HA LEU A 618 6.458 -33.911 -3.893 1.00 25.23 H new ATOM 0 HB2 LEU A 618 5.920 -31.004 -4.524 1.00 12.10 H new ATOM 0 HB3 LEU A 618 6.841 -31.589 -3.152 1.00 12.10 H new ATOM 0 HG LEU A 618 8.539 -30.993 -4.504 1.00 64.43 H new ATOM 0 HD11 LEU A 618 9.543 -32.872 -5.668 1.00 13.43 H new ATOM 0 HD12 LEU A 618 8.908 -33.310 -4.064 1.00 13.43 H new ATOM 0 HD13 LEU A 618 8.010 -33.765 -5.531 1.00 13.43 H new ATOM 0 HD21 LEU A 618 8.532 -31.081 -6.950 1.00 5.13 H new ATOM 0 HD22 LEU A 618 6.906 -31.802 -6.907 1.00 5.13 H new ATOM 0 HD23 LEU A 618 7.163 -30.151 -6.295 1.00 5.13 H new ATOM 1412 N GLY A 619 4.809 -33.282 -2.021 1.00 24.23 N ATOM 1413 CA GLY A 619 3.766 -33.153 -1.022 1.00 34.23 C ATOM 1414 C GLY A 619 3.530 -31.691 -0.684 1.00 1.50 C ATOM 1415 O GLY A 619 2.681 -31.013 -1.243 1.00 72.40 O ATOM 0 H GLY A 619 5.702 -33.616 -1.658 1.00 24.23 H new ATOM 0 HA2 GLY A 619 2.843 -33.600 -1.391 1.00 34.23 H new ATOM 0 HA3 GLY A 619 4.047 -33.700 -0.122 1.00 34.23 H new ATOM 1419 N GLU A 620 4.345 -31.201 0.237 1.00 42.33 N ATOM 1420 CA GLU A 620 4.318 -29.821 0.693 1.00 42.11 C ATOM 1421 C GLU A 620 5.685 -29.464 1.213 1.00 64.25 C ATOM 1422 O GLU A 620 6.170 -30.088 2.158 1.00 32.23 O ATOM 1423 CB GLU A 620 3.392 -29.661 1.886 1.00 74.32 C ATOM 1424 CG GLU A 620 2.004 -29.364 1.525 1.00 54.34 C ATOM 1425 CD GLU A 620 1.455 -28.239 2.392 1.00 43.44 C ATOM 1426 OE1 GLU A 620 1.747 -27.056 2.075 1.00 31.21 O ATOM 1427 OE2 GLU A 620 0.880 -28.524 3.460 1.00 14.14 O ATOM 0 H GLU A 620 5.059 -31.765 0.698 1.00 42.33 H new ATOM 0 HA GLU A 620 3.994 -29.201 -0.143 1.00 42.11 H new ATOM 0 HB2 GLU A 620 3.415 -30.577 2.477 1.00 74.32 H new ATOM 0 HB3 GLU A 620 3.771 -28.861 2.523 1.00 74.32 H new ATOM 0 HG2 GLU A 620 1.948 -29.081 0.474 1.00 54.34 H new ATOM 0 HG3 GLU A 620 1.391 -30.257 1.647 1.00 54.34 H new ATOM 1434 N PRO A 621 6.316 -28.437 0.649 1.00 12.23 N ATOM 1435 CA PRO A 621 7.574 -28.033 1.272 1.00 61.34 C ATOM 1436 C PRO A 621 7.331 -27.456 2.676 1.00 54.32 C ATOM 1437 O PRO A 621 6.382 -26.690 2.905 1.00 62.11 O ATOM 1438 CB PRO A 621 8.103 -26.995 0.287 1.00 63.43 C ATOM 1439 CG PRO A 621 6.869 -26.422 -0.331 1.00 13.11 C ATOM 1440 CD PRO A 621 5.979 -27.585 -0.503 1.00 62.52 C ATOM 0 HA PRO A 621 8.278 -28.848 1.438 1.00 61.34 H new ATOM 0 HB2 PRO A 621 8.690 -26.228 0.792 1.00 63.43 H new ATOM 0 HB3 PRO A 621 8.751 -27.450 -0.463 1.00 63.43 H new ATOM 0 HG2 PRO A 621 6.417 -25.665 0.310 1.00 13.11 H new ATOM 0 HG3 PRO A 621 7.087 -25.942 -1.285 1.00 13.11 H new ATOM 0 HD2 PRO A 621 4.929 -27.293 -0.495 1.00 62.52 H new ATOM 0 HD3 PRO A 621 6.161 -28.095 -1.449 1.00 62.52 H new ATOM 1448 N LYS A 622 8.164 -27.857 3.626 1.00 54.51 N ATOM 1449 CA LYS A 622 8.027 -27.442 5.027 1.00 10.14 C ATOM 1450 C LYS A 622 9.346 -26.855 5.476 1.00 14.25 C ATOM 1451 O LYS A 622 10.388 -27.405 5.203 1.00 13.22 O ATOM 1452 CB LYS A 622 7.685 -28.650 5.903 1.00 43.32 C ATOM 1453 CG LYS A 622 6.321 -29.281 5.594 1.00 5.41 C ATOM 1454 CD LYS A 622 6.133 -30.637 6.277 1.00 45.14 C ATOM 1455 CE LYS A 622 7.012 -31.715 5.631 1.00 21.00 C ATOM 1456 NZ LYS A 622 6.765 -33.080 6.196 1.00 75.34 N ATOM 0 H LYS A 622 8.955 -28.478 3.454 1.00 54.51 H new ATOM 0 HA LYS A 622 7.228 -26.706 5.119 1.00 10.14 H new ATOM 0 HB2 LYS A 622 8.460 -29.406 5.779 1.00 43.32 H new ATOM 0 HB3 LYS A 622 7.703 -28.344 6.949 1.00 43.32 H new ATOM 0 HG2 LYS A 622 5.530 -28.603 5.915 1.00 5.41 H new ATOM 0 HG3 LYS A 622 6.217 -29.404 4.516 1.00 5.41 H new ATOM 0 HD2 LYS A 622 6.379 -30.550 7.335 1.00 45.14 H new ATOM 0 HD3 LYS A 622 5.086 -30.935 6.217 1.00 45.14 H new ATOM 0 HE2 LYS A 622 6.827 -31.732 4.557 1.00 21.00 H new ATOM 0 HE3 LYS A 622 8.061 -31.453 5.770 1.00 21.00 H new ATOM 0 HZ1 LYS A 622 7.504 -33.732 5.864 1.00 75.34 H new ATOM 0 HZ2 LYS A 622 6.784 -33.034 7.235 1.00 75.34 H new ATOM 0 HZ3 LYS A 622 5.835 -33.423 5.882 1.00 75.34 H new ATOM 1470 N TRP A 623 9.308 -25.753 6.191 1.00 4.13 N ATOM 1471 CA TRP A 623 10.523 -25.040 6.576 1.00 30.44 C ATOM 1472 C TRP A 623 11.083 -25.682 7.802 1.00 32.03 C ATOM 1473 O TRP A 623 10.523 -25.532 8.890 1.00 73.13 O ATOM 1474 CB TRP A 623 10.129 -23.614 6.906 1.00 3.21 C ATOM 1475 CG TRP A 623 11.175 -22.610 6.686 1.00 72.43 C ATOM 1476 CD1 TRP A 623 12.416 -22.763 6.162 1.00 62.42 C ATOM 1477 CD2 TRP A 623 11.068 -21.234 7.010 1.00 14.20 C ATOM 1478 NE1 TRP A 623 13.064 -21.571 6.069 1.00 62.12 N ATOM 1479 CE2 TRP A 623 12.257 -20.595 6.560 1.00 21.20 C ATOM 1480 CE3 TRP A 623 10.101 -20.478 7.679 1.00 5.54 C ATOM 1481 CZ2 TRP A 623 12.464 -19.212 6.694 1.00 24.13 C ATOM 1482 CZ3 TRP A 623 10.312 -19.136 7.874 1.00 53.10 C ATOM 1483 CH2 TRP A 623 11.479 -18.476 7.337 1.00 70.11 C ATOM 0 H TRP A 623 8.446 -25.322 6.524 1.00 4.13 H new ATOM 0 HA TRP A 623 11.263 -25.063 5.776 1.00 30.44 H new ATOM 0 HB2 TRP A 623 9.259 -23.346 6.306 1.00 3.21 H new ATOM 0 HB3 TRP A 623 9.821 -23.572 7.951 1.00 3.21 H new ATOM 0 HD1 TRP A 623 12.836 -23.710 5.857 1.00 62.42 H new ATOM 0 HE1 TRP A 623 14.002 -21.433 5.692 1.00 62.12 H new ATOM 0 HE3 TRP A 623 9.196 -20.946 8.039 1.00 5.54 H new ATOM 0 HZ2 TRP A 623 13.356 -18.739 6.311 1.00 24.13 H new ATOM 0 HZ3 TRP A 623 9.592 -18.563 8.439 1.00 53.10 H new ATOM 0 HH2 TRP A 623 11.585 -17.406 7.436 1.00 70.11 H new ATOM 1494 N MET A 624 12.212 -26.364 7.672 1.00 53.22 N ATOM 1495 CA MET A 624 12.893 -26.686 8.881 1.00 3.52 C ATOM 1496 C MET A 624 14.312 -26.165 8.898 1.00 61.05 C ATOM 1497 O MET A 624 15.306 -26.863 9.044 1.00 25.53 O ATOM 1498 CB MET A 624 13.158 -28.134 8.704 1.00 44.13 C ATOM 1499 CG MET A 624 11.997 -29.057 8.366 1.00 41.04 C ATOM 1500 SD MET A 624 10.877 -29.375 9.710 1.00 64.14 S ATOM 1501 CE MET A 624 10.082 -30.810 9.029 1.00 45.14 C ATOM 0 H MET A 624 12.639 -26.679 6.801 1.00 53.22 H new ATOM 0 HA MET A 624 12.322 -26.323 9.736 1.00 3.52 H new ATOM 0 HB2 MET A 624 13.903 -28.239 7.915 1.00 44.13 H new ATOM 0 HB3 MET A 624 13.614 -28.501 9.624 1.00 44.13 H new ATOM 0 HG2 MET A 624 11.435 -28.622 7.539 1.00 41.04 H new ATOM 0 HG3 MET A 624 12.398 -30.007 8.014 1.00 41.04 H new ATOM 0 HE1 MET A 624 9.329 -31.175 9.728 1.00 45.14 H new ATOM 0 HE2 MET A 624 9.604 -30.548 8.085 1.00 45.14 H new ATOM 0 HE3 MET A 624 10.824 -31.589 8.856 1.00 45.14 H new ATOM 1511 N GLU A 625 14.281 -24.919 9.199 1.00 12.43 N ATOM 1512 CA GLU A 625 15.249 -24.145 9.898 1.00 32.54 C ATOM 1513 C GLU A 625 14.377 -23.113 10.471 1.00 33.02 C ATOM 1514 O GLU A 625 14.488 -22.192 9.898 1.00 43.21 O ATOM 1515 CB GLU A 625 16.144 -23.518 8.808 1.00 31.34 C ATOM 1516 CG GLU A 625 17.181 -22.449 9.258 1.00 34.41 C ATOM 1517 CD GLU A 625 18.359 -22.297 8.312 1.00 15.13 C ATOM 1518 OE1 GLU A 625 18.769 -23.290 7.679 1.00 62.05 O ATOM 1519 OE2 GLU A 625 18.815 -21.149 8.133 1.00 74.30 O ATOM 0 H GLU A 625 13.481 -24.346 8.930 1.00 12.43 H new ATOM 0 HA GLU A 625 15.877 -24.656 10.628 1.00 32.54 H new ATOM 0 HB2 GLU A 625 16.685 -24.324 8.312 1.00 31.34 H new ATOM 0 HB3 GLU A 625 15.495 -23.063 8.060 1.00 31.34 H new ATOM 0 HG2 GLU A 625 16.678 -21.487 9.353 1.00 34.41 H new ATOM 0 HG3 GLU A 625 17.554 -22.713 10.248 1.00 34.41 H new ATOM 1526 N ARG A 626 13.771 -23.064 11.647 1.00 71.45 N ATOM 1527 CA ARG A 626 12.966 -21.844 12.103 1.00 50.14 C ATOM 1528 C ARG A 626 11.994 -22.329 13.150 1.00 31.42 C ATOM 1529 O ARG A 626 11.980 -21.837 14.263 1.00 22.24 O ATOM 1530 CB ARG A 626 12.070 -20.996 11.039 1.00 42.01 C ATOM 1531 CG ARG A 626 12.743 -20.223 9.876 1.00 10.55 C ATOM 1532 CD ARG A 626 13.881 -19.290 10.309 1.00 11.45 C ATOM 1533 NE ARG A 626 13.415 -18.265 11.269 1.00 11.22 N ATOM 1534 CZ ARG A 626 13.896 -18.074 12.492 1.00 21.50 C ATOM 1535 NH1 ARG A 626 14.878 -18.790 12.984 1.00 21.11 N ATOM 1536 NH2 ARG A 626 13.377 -17.144 13.234 1.00 12.54 N ATOM 0 H ARG A 626 13.795 -23.824 12.326 1.00 71.45 H new ATOM 0 HA ARG A 626 13.747 -21.146 12.403 1.00 50.14 H new ATOM 0 HB2 ARG A 626 11.359 -21.691 10.593 1.00 42.01 H new ATOM 0 HB3 ARG A 626 11.491 -20.272 11.613 1.00 42.01 H new ATOM 0 HG2 ARG A 626 13.133 -20.942 9.156 1.00 10.55 H new ATOM 0 HG3 ARG A 626 11.984 -19.635 9.360 1.00 10.55 H new ATOM 0 HD2 ARG A 626 14.680 -19.877 10.763 1.00 11.45 H new ATOM 0 HD3 ARG A 626 14.304 -18.801 9.432 1.00 11.45 H new ATOM 0 HE ARG A 626 12.659 -17.652 10.965 1.00 11.22 H new ATOM 0 HH11 ARG A 626 15.303 -19.527 12.422 1.00 21.11 H new ATOM 0 HH12 ARG A 626 15.217 -18.610 13.929 1.00 21.11 H new ATOM 0 HH21 ARG A 626 12.612 -16.573 12.875 1.00 12.54 H new ATOM 0 HH22 ARG A 626 13.735 -16.984 14.176 1.00 12.54 H new ATOM 1916 N GLY A 650 6.886 -17.808 6.938 1.00 13.30 N ATOM 1917 CA GLY A 650 7.820 -18.066 5.852 1.00 35.45 C ATOM 1918 C GLY A 650 7.490 -19.217 4.921 1.00 31.20 C ATOM 1919 O GLY A 650 8.390 -19.716 4.250 1.00 52.44 O ATOM 0 HA2 GLY A 650 7.903 -17.159 5.253 1.00 35.45 H new ATOM 0 HA3 GLY A 650 8.802 -18.252 6.286 1.00 35.45 H new ATOM 1923 N LYS A 651 6.254 -19.701 4.920 1.00 54.44 N ATOM 1924 CA LYS A 651 5.930 -20.963 4.293 1.00 13.24 C ATOM 1925 C LYS A 651 6.250 -21.054 2.802 1.00 75.24 C ATOM 1926 O LYS A 651 5.679 -20.331 1.988 1.00 35.10 O ATOM 1927 CB LYS A 651 4.437 -21.173 4.490 1.00 50.42 C ATOM 1928 CG LYS A 651 4.112 -22.235 5.518 1.00 34.11 C ATOM 1929 CD LYS A 651 4.327 -23.682 5.006 1.00 33.23 C ATOM 1930 CE LYS A 651 3.489 -23.984 3.765 1.00 41.24 C ATOM 1931 NZ LYS A 651 3.646 -25.411 3.293 1.00 2.45 N ATOM 0 H LYS A 651 5.459 -19.230 5.351 1.00 54.44 H new ATOM 0 HA LYS A 651 6.551 -21.727 4.760 1.00 13.24 H new ATOM 0 HB2 LYS A 651 3.982 -20.231 4.795 1.00 50.42 H new ATOM 0 HB3 LYS A 651 3.987 -21.450 3.537 1.00 50.42 H new ATOM 0 HG2 LYS A 651 4.731 -22.075 6.401 1.00 34.11 H new ATOM 0 HG3 LYS A 651 3.074 -22.120 5.831 1.00 34.11 H new ATOM 0 HD2 LYS A 651 5.382 -23.831 4.775 1.00 33.23 H new ATOM 0 HD3 LYS A 651 4.070 -24.387 5.796 1.00 33.23 H new ATOM 0 HE2 LYS A 651 2.439 -23.791 3.984 1.00 41.24 H new ATOM 0 HE3 LYS A 651 3.777 -23.305 2.962 1.00 41.24 H new ATOM 0 HZ1 LYS A 651 2.786 -25.707 2.789 1.00 2.45 H new ATOM 0 HZ2 LYS A 651 4.463 -25.477 2.652 1.00 2.45 H new ATOM 0 HZ3 LYS A 651 3.798 -26.033 4.113 1.00 2.45 H new ATOM 1945 N PRO A 652 7.148 -21.989 2.427 1.00 41.05 N ATOM 1946 CA PRO A 652 7.381 -22.188 0.997 1.00 41.23 C ATOM 1947 C PRO A 652 6.172 -22.820 0.340 1.00 43.41 C ATOM 1948 O PRO A 652 5.351 -23.466 0.998 1.00 24.30 O ATOM 1949 CB PRO A 652 8.564 -23.152 0.969 1.00 40.33 C ATOM 1950 CG PRO A 652 8.448 -23.893 2.237 1.00 33.10 C ATOM 1951 CD PRO A 652 7.960 -22.919 3.233 1.00 35.02 C ATOM 0 HA PRO A 652 7.567 -21.257 0.461 1.00 41.23 H new ATOM 0 HB2 PRO A 652 8.514 -23.821 0.110 1.00 40.33 H new ATOM 0 HB3 PRO A 652 9.512 -22.619 0.903 1.00 40.33 H new ATOM 0 HG2 PRO A 652 7.757 -24.730 2.138 1.00 33.10 H new ATOM 0 HG3 PRO A 652 9.410 -24.308 2.536 1.00 33.10 H new ATOM 0 HD2 PRO A 652 7.367 -23.401 4.010 1.00 35.02 H new ATOM 0 HD3 PRO A 652 8.783 -22.407 3.731 1.00 35.02 H new ATOM 1959 N VAL A 653 6.082 -22.641 -0.965 1.00 25.53 N ATOM 1960 CA VAL A 653 4.977 -23.191 -1.754 1.00 21.30 C ATOM 1961 C VAL A 653 5.504 -23.849 -3.029 1.00 54.23 C ATOM 1962 O VAL A 653 6.676 -23.696 -3.386 1.00 30.44 O ATOM 1963 CB VAL A 653 3.921 -22.091 -2.121 1.00 10.32 C ATOM 1964 CG1 VAL A 653 3.270 -21.523 -0.848 1.00 34.33 C ATOM 1965 CG2 VAL A 653 4.555 -20.951 -2.928 1.00 34.32 C ATOM 0 H VAL A 653 6.764 -22.115 -1.512 1.00 25.53 H new ATOM 0 HA VAL A 653 4.482 -23.942 -1.138 1.00 21.30 H new ATOM 0 HB VAL A 653 3.157 -22.564 -2.738 1.00 10.32 H new ATOM 0 HG11 VAL A 653 2.540 -20.761 -1.122 1.00 34.33 H new ATOM 0 HG12 VAL A 653 2.771 -22.326 -0.305 1.00 34.33 H new ATOM 0 HG13 VAL A 653 4.037 -21.079 -0.214 1.00 34.33 H new ATOM 0 HG21 VAL A 653 3.795 -20.207 -3.165 1.00 34.32 H new ATOM 0 HG22 VAL A 653 5.347 -20.486 -2.341 1.00 34.32 H new ATOM 0 HG23 VAL A 653 4.974 -21.349 -3.852 1.00 34.32 H new ATOM 1975 N LEU A 654 4.640 -24.594 -3.700 1.00 12.43 N ATOM 1976 CA LEU A 654 4.988 -25.261 -4.950 1.00 54.14 C ATOM 1977 C LEU A 654 4.971 -24.254 -6.108 1.00 3.54 C ATOM 1978 O LEU A 654 4.396 -23.173 -5.995 1.00 14.20 O ATOM 1979 CB LEU A 654 3.997 -26.408 -5.233 1.00 30.52 C ATOM 1980 CG LEU A 654 3.990 -27.649 -4.304 1.00 55.33 C ATOM 1981 CD1 LEU A 654 5.409 -28.163 -4.063 1.00 31.34 C ATOM 1982 CD2 LEU A 654 3.280 -27.401 -2.969 1.00 5.22 C ATOM 0 H LEU A 654 3.680 -24.755 -3.397 1.00 12.43 H new ATOM 0 HA LEU A 654 5.992 -25.677 -4.859 1.00 54.14 H new ATOM 0 HB2 LEU A 654 2.993 -25.984 -5.221 1.00 30.52 H new ATOM 0 HB3 LEU A 654 4.183 -26.759 -6.248 1.00 30.52 H new ATOM 0 HG LEU A 654 3.417 -28.413 -4.829 1.00 55.33 H new ATOM 0 HD11 LEU A 654 5.374 -29.034 -3.408 1.00 31.34 H new ATOM 0 HD12 LEU A 654 5.861 -28.442 -5.015 1.00 31.34 H new ATOM 0 HD13 LEU A 654 6.005 -27.380 -3.594 1.00 31.34 H new ATOM 0 HD21 LEU A 654 3.311 -28.309 -2.366 1.00 5.22 H new ATOM 0 HD22 LEU A 654 3.781 -26.594 -2.435 1.00 5.22 H new ATOM 0 HD23 LEU A 654 2.242 -27.124 -3.155 1.00 5.22 H new ATOM 1994 N GLY A 655 5.643 -24.607 -7.194 1.00 24.43 N ATOM 1995 CA GLY A 655 5.785 -23.728 -8.346 1.00 42.05 C ATOM 1996 C GLY A 655 4.888 -24.028 -9.514 1.00 42.14 C ATOM 1997 O GLY A 655 3.808 -24.582 -9.383 1.00 22.11 O ATOM 0 H GLY A 655 6.105 -25.510 -7.302 1.00 24.43 H new ATOM 0 HA2 GLY A 655 5.598 -22.704 -8.023 1.00 42.05 H new ATOM 0 HA3 GLY A 655 6.820 -23.771 -8.686 1.00 42.05 H new ATOM 2001 N GLU A 656 5.368 -23.634 -10.681 1.00 42.54 N ATOM 2002 CA GLU A 656 4.642 -23.789 -11.934 1.00 32.14 C ATOM 2003 C GLU A 656 4.702 -25.222 -12.482 1.00 4.40 C ATOM 2004 O GLU A 656 3.787 -25.650 -13.175 1.00 4.45 O ATOM 2005 CB GLU A 656 5.226 -22.820 -12.975 1.00 4.35 C ATOM 2006 CG GLU A 656 5.080 -21.319 -12.618 1.00 53.24 C ATOM 2007 CD GLU A 656 6.124 -20.798 -11.609 1.00 73.12 C ATOM 2008 OE1 GLU A 656 7.086 -21.527 -11.272 1.00 23.01 O ATOM 2009 OE2 GLU A 656 5.961 -19.643 -11.143 1.00 75.35 O ATOM 0 H GLU A 656 6.281 -23.193 -10.788 1.00 42.54 H new ATOM 0 HA GLU A 656 3.594 -23.564 -11.736 1.00 32.14 H new ATOM 0 HB2 GLU A 656 6.284 -23.046 -13.108 1.00 4.35 H new ATOM 0 HB3 GLU A 656 4.738 -23.001 -13.933 1.00 4.35 H new ATOM 0 HG2 GLU A 656 5.153 -20.732 -13.533 1.00 53.24 H new ATOM 0 HG3 GLU A 656 4.083 -21.151 -12.210 1.00 53.24 H new ATOM 2016 N HIS A 657 5.769 -25.959 -12.178 1.00 3.24 N ATOM 2017 CA HIS A 657 5.908 -27.353 -12.643 1.00 53.41 C ATOM 2018 C HIS A 657 6.370 -28.307 -11.532 1.00 23.23 C ATOM 2019 O HIS A 657 7.414 -28.915 -11.645 1.00 0.22 O ATOM 2020 CB HIS A 657 6.927 -27.428 -13.799 1.00 51.12 C ATOM 2021 CG HIS A 657 6.717 -26.394 -14.861 1.00 42.24 C ATOM 2022 ND1 HIS A 657 6.094 -26.649 -16.089 1.00 21.22 N ATOM 2023 CD2 HIS A 657 7.052 -25.078 -14.914 1.00 64.24 C ATOM 2024 CE1 HIS A 657 6.079 -25.533 -16.799 1.00 61.25 C ATOM 2025 NE2 HIS A 657 6.650 -24.578 -16.115 1.00 32.33 N ATOM 0 H HIS A 657 6.551 -25.623 -11.615 1.00 3.24 H new ATOM 0 HA HIS A 657 4.918 -27.666 -12.973 1.00 53.41 H new ATOM 0 HB2 HIS A 657 7.932 -27.318 -13.392 1.00 51.12 H new ATOM 0 HB3 HIS A 657 6.874 -28.417 -14.253 1.00 51.12 H new ATOM 0 HD1 HIS A 657 5.714 -27.548 -16.387 1.00 21.22 H new ATOM 0 HD2 HIS A 657 7.553 -24.522 -14.135 1.00 64.24 H new ATOM 0 HE1 HIS A 657 5.660 -25.428 -17.789 1.00 61.25 H new ATOM 2033 N PRO A 658 5.615 -28.436 -10.429 1.00 23.24 N ATOM 2034 CA PRO A 658 6.019 -29.314 -9.318 1.00 51.21 C ATOM 2035 C PRO A 658 5.771 -30.813 -9.567 1.00 42.15 C ATOM 2036 O PRO A 658 5.441 -31.569 -8.652 1.00 62.34 O ATOM 2037 CB PRO A 658 5.149 -28.803 -8.178 1.00 5.41 C ATOM 2038 CG PRO A 658 3.906 -28.390 -8.852 1.00 2.53 C ATOM 2039 CD PRO A 658 4.356 -27.740 -10.112 1.00 54.12 C ATOM 0 HA PRO A 658 7.093 -29.270 -9.139 1.00 51.21 H new ATOM 0 HB2 PRO A 658 4.964 -29.579 -7.435 1.00 5.41 H new ATOM 0 HB3 PRO A 658 5.619 -27.969 -7.657 1.00 5.41 H new ATOM 0 HG2 PRO A 658 3.263 -29.246 -9.056 1.00 2.53 H new ATOM 0 HG3 PRO A 658 3.331 -27.700 -8.234 1.00 2.53 H new ATOM 0 HD2 PRO A 658 3.621 -27.857 -10.909 1.00 54.12 H new ATOM 0 HD3 PRO A 658 4.512 -26.670 -9.978 1.00 54.12 H new ATOM 2047 N LYS A 659 5.888 -31.216 -10.818 1.00 62.22 N ATOM 2048 CA LYS A 659 5.668 -32.601 -11.230 1.00 14.34 C ATOM 2049 C LYS A 659 6.313 -32.812 -12.574 1.00 42.33 C ATOM 2050 O LYS A 659 6.381 -31.884 -13.367 1.00 63.33 O ATOM 2051 CB LYS A 659 4.170 -32.857 -11.335 1.00 44.03 C ATOM 2052 CG LYS A 659 3.808 -34.314 -11.551 1.00 44.25 C ATOM 2053 CD LYS A 659 2.472 -34.636 -10.921 1.00 55.12 C ATOM 2054 CE LYS A 659 1.361 -34.049 -11.704 1.00 13.23 C ATOM 2055 NZ LYS A 659 1.170 -34.690 -13.093 1.00 75.45 N ATOM 0 H LYS A 659 6.139 -30.593 -11.586 1.00 62.22 H new ATOM 0 HA LYS A 659 6.101 -33.286 -10.502 1.00 14.34 H new ATOM 0 HB2 LYS A 659 3.687 -32.504 -10.424 1.00 44.03 H new ATOM 0 HB3 LYS A 659 3.768 -32.267 -12.159 1.00 44.03 H new ATOM 0 HG2 LYS A 659 3.773 -34.530 -12.619 1.00 44.25 H new ATOM 0 HG3 LYS A 659 4.580 -34.952 -11.122 1.00 44.25 H new ATOM 0 HD2 LYS A 659 2.346 -35.717 -10.859 1.00 55.12 H new ATOM 0 HD3 LYS A 659 2.445 -34.253 -9.901 1.00 55.12 H new ATOM 0 HE2 LYS A 659 0.436 -34.151 -11.137 1.00 13.23 H new ATOM 0 HE3 LYS A 659 1.542 -32.981 -11.829 1.00 13.23 H new ATOM 0 HZ1 LYS A 659 0.216 -34.475 -13.446 1.00 75.45 H new ATOM 0 HZ2 LYS A 659 1.878 -34.307 -13.752 1.00 75.45 H new ATOM 0 HZ3 LYS A 659 1.288 -35.721 -13.019 1.00 75.45 H new ATOM 2069 N LEU A 660 6.750 -34.036 -12.822 1.00 14.41 N ATOM 2070 CA LEU A 660 7.324 -34.424 -14.102 1.00 34.13 C ATOM 2071 C LEU A 660 6.534 -35.650 -14.536 1.00 45.21 C ATOM 2072 O LEU A 660 6.473 -36.623 -13.789 1.00 2.41 O ATOM 2073 CB LEU A 660 8.811 -34.786 -13.935 1.00 22.24 C ATOM 2074 CG LEU A 660 9.832 -34.532 -15.065 1.00 64.45 C ATOM 2075 CD1 LEU A 660 10.967 -35.581 -15.059 1.00 41.04 C ATOM 2076 CD2 LEU A 660 9.189 -34.468 -16.411 1.00 43.24 C ATOM 0 H LEU A 660 6.717 -34.792 -12.139 1.00 14.41 H new ATOM 0 HA LEU A 660 7.269 -33.618 -14.834 1.00 34.13 H new ATOM 0 HB2 LEU A 660 9.171 -34.251 -13.056 1.00 22.24 H new ATOM 0 HB3 LEU A 660 8.854 -35.850 -13.701 1.00 22.24 H new ATOM 0 HG LEU A 660 10.269 -33.554 -14.863 1.00 64.45 H new ATOM 0 HD11 LEU A 660 11.664 -35.367 -15.869 1.00 41.04 H new ATOM 0 HD12 LEU A 660 11.495 -35.541 -14.106 1.00 41.04 H new ATOM 0 HD13 LEU A 660 10.544 -36.576 -15.198 1.00 41.04 H new ATOM 0 HD21 LEU A 660 9.950 -34.288 -17.170 1.00 43.24 H new ATOM 0 HD22 LEU A 660 8.686 -35.412 -16.619 1.00 43.24 H new ATOM 0 HD23 LEU A 660 8.461 -33.657 -16.428 1.00 43.24 H new ATOM 2088 N GLU A 661 5.892 -35.586 -15.688 1.00 53.43 N ATOM 2089 CA GLU A 661 5.113 -36.702 -16.209 1.00 23.11 C ATOM 2090 C GLU A 661 5.998 -37.604 -17.041 1.00 12.20 C ATOM 2091 O GLU A 661 6.651 -37.138 -17.942 1.00 63.12 O ATOM 2092 CB GLU A 661 4.000 -36.169 -17.085 1.00 0.33 C ATOM 2093 CG GLU A 661 2.917 -37.157 -17.283 1.00 44.31 C ATOM 2094 CD GLU A 661 1.565 -36.651 -16.753 1.00 2.42 C ATOM 2095 OE1 GLU A 661 1.542 -35.929 -15.709 1.00 10.00 O ATOM 2096 OE2 GLU A 661 0.529 -37.034 -17.322 1.00 42.41 O ATOM 0 H GLU A 661 5.894 -34.763 -16.290 1.00 53.43 H new ATOM 0 HA GLU A 661 4.697 -37.267 -15.374 1.00 23.11 H new ATOM 0 HB2 GLU A 661 3.587 -35.266 -16.634 1.00 0.33 H new ATOM 0 HB3 GLU A 661 4.409 -35.883 -18.054 1.00 0.33 H new ATOM 0 HG2 GLU A 661 2.826 -37.386 -18.345 1.00 44.31 H new ATOM 0 HG3 GLU A 661 3.179 -38.087 -16.777 1.00 44.31 H new ATOM 2103 N VAL A 662 6.040 -38.882 -16.717 1.00 22.02 N ATOM 2104 CA VAL A 662 6.968 -39.833 -17.328 1.00 4.22 C ATOM 2105 C VAL A 662 6.172 -40.902 -18.019 1.00 12.23 C ATOM 2106 O VAL A 662 5.221 -41.452 -17.467 1.00 72.41 O ATOM 2107 CB VAL A 662 7.871 -40.509 -16.247 1.00 12.40 C ATOM 2108 CG1 VAL A 662 9.113 -41.165 -16.797 1.00 4.23 C ATOM 2109 CG2 VAL A 662 8.082 -39.628 -14.996 1.00 22.10 C ATOM 0 H VAL A 662 5.428 -39.300 -16.016 1.00 22.02 H new ATOM 0 HA VAL A 662 7.604 -39.297 -18.032 1.00 4.22 H new ATOM 0 HB VAL A 662 7.299 -41.360 -15.878 1.00 12.40 H new ATOM 0 HG11 VAL A 662 9.682 -41.609 -15.980 1.00 4.23 H new ATOM 0 HG12 VAL A 662 8.830 -41.942 -17.507 1.00 4.23 H new ATOM 0 HG13 VAL A 662 9.726 -40.418 -17.302 1.00 4.23 H new ATOM 0 HG21 VAL A 662 8.717 -40.154 -14.284 1.00 22.10 H new ATOM 0 HG22 VAL A 662 8.560 -38.692 -15.286 1.00 22.10 H new ATOM 0 HG23 VAL A 662 7.118 -39.415 -14.534 1.00 22.10 H new ATOM 2119 N ILE A 663 6.586 -41.192 -19.235 1.00 11.22 N ATOM 2120 CA ILE A 663 6.008 -42.264 -20.015 1.00 72.42 C ATOM 2121 C ILE A 663 7.108 -43.301 -20.077 1.00 42.54 C ATOM 2122 O ILE A 663 8.266 -42.953 -20.330 1.00 25.32 O ATOM 2123 CB ILE A 663 5.630 -41.796 -21.443 1.00 62.41 C ATOM 2124 CG1 ILE A 663 4.498 -40.747 -21.384 1.00 74.24 C ATOM 2125 CG2 ILE A 663 5.248 -42.999 -22.313 1.00 14.33 C ATOM 2126 CD1 ILE A 663 3.077 -41.336 -21.334 1.00 61.22 C ATOM 0 H ILE A 663 7.335 -40.689 -19.711 1.00 11.22 H new ATOM 0 HA ILE A 663 5.085 -42.638 -19.572 1.00 72.42 H new ATOM 0 HB ILE A 663 6.495 -41.318 -21.903 1.00 62.41 H new ATOM 0 HG12 ILE A 663 4.648 -40.120 -20.505 1.00 74.24 H new ATOM 0 HG13 ILE A 663 4.577 -40.098 -22.256 1.00 74.24 H new ATOM 0 HG21 ILE A 663 4.985 -42.656 -23.313 1.00 14.33 H new ATOM 0 HG22 ILE A 663 6.092 -43.686 -22.375 1.00 14.33 H new ATOM 0 HG23 ILE A 663 4.395 -43.512 -21.870 1.00 14.33 H new ATOM 0 HD11 ILE A 663 2.349 -40.526 -21.294 1.00 61.22 H new ATOM 0 HD12 ILE A 663 2.901 -41.939 -22.225 1.00 61.22 H new ATOM 0 HD13 ILE A 663 2.973 -41.961 -20.447 1.00 61.22 H new ATOM 2138 N ILE A 664 6.768 -44.550 -19.822 1.00 33.50 N ATOM 2139 CA ILE A 664 7.732 -45.636 -19.925 1.00 64.03 C ATOM 2140 C ILE A 664 7.610 -46.175 -21.356 1.00 40.12 C ATOM 2141 O ILE A 664 6.741 -46.980 -21.666 1.00 54.33 O ATOM 2142 CB ILE A 664 7.505 -46.710 -18.821 1.00 14.13 C ATOM 2143 CG1 ILE A 664 7.608 -46.016 -17.435 1.00 73.31 C ATOM 2144 CG2 ILE A 664 8.564 -47.848 -18.943 1.00 42.51 C ATOM 2145 CD1 ILE A 664 7.207 -46.861 -16.237 1.00 64.42 C ATOM 0 H ILE A 664 5.831 -44.841 -19.542 1.00 33.50 H new ATOM 0 HA ILE A 664 8.753 -45.296 -19.749 1.00 64.03 H new ATOM 0 HB ILE A 664 6.519 -47.160 -18.937 1.00 14.13 H new ATOM 0 HG12 ILE A 664 8.636 -45.683 -17.293 1.00 73.31 H new ATOM 0 HG13 ILE A 664 6.983 -45.123 -17.450 1.00 73.31 H new ATOM 0 HG21 ILE A 664 8.391 -48.591 -18.164 1.00 42.51 H new ATOM 0 HG22 ILE A 664 8.478 -48.321 -19.921 1.00 42.51 H new ATOM 0 HG23 ILE A 664 9.564 -47.429 -18.829 1.00 42.51 H new ATOM 0 HD11 ILE A 664 7.319 -46.275 -15.325 1.00 64.42 H new ATOM 0 HD12 ILE A 664 6.168 -47.173 -16.343 1.00 64.42 H new ATOM 0 HD13 ILE A 664 7.846 -47.742 -16.183 1.00 64.42 H new