USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 561 THR OG1 : rot 70:sc= 1.45 USER MOD Set 1.2: A 590 LYS NZ :NH3+ -126:sc= 0.344 (180deg=0.286) USER MOD Set 2.1: A 555 THR OG1 : rot 180:sc= 0.00879 USER MOD Set 2.2: A 556 SER OG : rot 84:sc= 0.145 USER MOD Single : A 533 THR OG1 : rot 180:sc= 0.0445 USER MOD Single : A 536 CYS SG : rot 180:sc=-0.00877 USER MOD Single : A 538 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 540 HIS : no HD1:sc= -0.09 X(o=-0.09,f=-0.37) USER MOD Single : A 542 SER OG : rot 47:sc= 1.39 USER MOD Single : A 544 SER OG : rot 50:sc= 1.08 USER MOD Single : A 548 MET CE :methyl 140:sc= -0.914 (180deg=-4.89!) USER MOD Single : A 551 LYS NZ :NH3+ -148:sc= 0.866 (180deg=0.399) USER MOD Single : A 568 THR OG1 : rot -150:sc= 0.2 USER MOD Single : A 572 THR OG1 : rot 180:sc= 0 USER MOD Single : A 574 LYS NZ :NH3+ 162:sc= 0.433 (180deg=0.0298) USER MOD Single : A 584 TYR OH : rot 180:sc= 0 USER MOD Single : A 591 ASN :FLIP amide:sc=-0.00936 F(o=-2!,f=-0.0094) USER MOD Single : A 594 THR OG1 : rot 180:sc= 0 USER MOD Single : A 596 LYS NZ :NH3+ -109:sc= 2.1 (180deg=-0.145) USER MOD Single : A 597 THR OG1 : rot 180:sc= 0 USER MOD Single : A 601 LYS NZ :NH3+ 159:sc= 1.11 (180deg=0.402) USER MOD Single : A 613 ASN : amide:sc= -0.646 K(o=-0.65,f=-2.8) USER MOD Single : A 622 LYS NZ :NH3+ -134:sc= 1.25 (180deg=0.305) USER MOD Single : A 624 MET CE :methyl -173:sc= 0 (180deg=-0.0241) USER MOD Single : A 651 LYS NZ :NH3+ -178:sc= 1.26 (180deg=1.26) USER MOD Single : A 657 HIS : +bothHN:sc= 1.22 K(o=1.2,f=-5.2!) USER MOD Single : A 659 LYS NZ :NH3+ 171:sc= 0.416 (180deg=0.336) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 529 10.883 -18.475 2.215 1.00 71.31 N ATOM 19 CA ALA A 529 11.517 -19.683 1.702 1.00 73.40 C ATOM 20 C ALA A 529 11.216 -19.758 0.194 1.00 42.22 C ATOM 21 O ALA A 529 10.330 -19.060 -0.297 1.00 71.54 O ATOM 22 CB ALA A 529 10.977 -20.886 2.412 1.00 45.32 C ATOM 0 HA ALA A 529 12.594 -19.658 1.869 1.00 73.40 H new ATOM 0 HB1 ALA A 529 11.456 -21.784 2.022 1.00 45.32 H new ATOM 0 HB2 ALA A 529 11.180 -20.800 3.479 1.00 45.32 H new ATOM 0 HB3 ALA A 529 9.901 -20.950 2.252 1.00 45.32 H new ATOM 28 N GLY A 530 11.959 -20.578 -0.538 1.00 21.34 N ATOM 29 CA GLY A 530 11.789 -20.637 -1.979 1.00 11.14 C ATOM 30 C GLY A 530 10.639 -21.487 -2.484 1.00 13.12 C ATOM 31 O GLY A 530 10.114 -22.339 -1.779 1.00 15.15 O ATOM 0 H GLY A 530 12.674 -21.201 -0.163 1.00 21.34 H new ATOM 0 HA2 GLY A 530 11.652 -19.621 -2.350 1.00 11.14 H new ATOM 0 HA3 GLY A 530 12.713 -21.015 -2.418 1.00 11.14 H new ATOM 35 N ILE A 531 10.290 -21.258 -3.743 1.00 63.51 N ATOM 36 CA ILE A 531 9.293 -22.045 -4.464 1.00 22.42 C ATOM 37 C ILE A 531 10.023 -23.279 -4.968 1.00 41.51 C ATOM 38 O ILE A 531 11.176 -23.166 -5.386 1.00 70.45 O ATOM 39 CB ILE A 531 8.716 -21.231 -5.686 1.00 32.31 C ATOM 40 CG1 ILE A 531 7.480 -20.432 -5.248 1.00 21.51 C ATOM 41 CG2 ILE A 531 8.310 -22.140 -6.858 1.00 62.32 C ATOM 42 CD1 ILE A 531 7.783 -19.127 -4.494 1.00 72.12 C ATOM 0 H ILE A 531 10.697 -20.509 -4.303 1.00 63.51 H new ATOM 0 HA ILE A 531 8.453 -22.301 -3.818 1.00 22.42 H new ATOM 0 HB ILE A 531 9.512 -20.567 -6.023 1.00 32.31 H new ATOM 0 HG12 ILE A 531 6.888 -20.194 -6.132 1.00 21.51 H new ATOM 0 HG13 ILE A 531 6.863 -21.066 -4.612 1.00 21.51 H new ATOM 0 HG21 ILE A 531 7.919 -21.530 -7.673 1.00 62.32 H new ATOM 0 HG22 ILE A 531 9.181 -22.696 -7.206 1.00 62.32 H new ATOM 0 HG23 ILE A 531 7.542 -22.839 -6.527 1.00 62.32 H new ATOM 0 HD11 ILE A 531 6.847 -18.635 -4.227 1.00 72.12 H new ATOM 0 HD12 ILE A 531 8.346 -19.352 -3.588 1.00 72.12 H new ATOM 0 HD13 ILE A 531 8.371 -18.467 -5.131 1.00 72.12 H new ATOM 54 N PHE A 532 9.358 -24.428 -4.946 1.00 22.52 N ATOM 55 CA PHE A 532 9.936 -25.677 -5.450 1.00 72.33 C ATOM 56 C PHE A 532 9.160 -26.166 -6.651 1.00 15.34 C ATOM 57 O PHE A 532 7.931 -26.160 -6.655 1.00 70.40 O ATOM 58 CB PHE A 532 9.910 -26.738 -4.372 1.00 21.54 C ATOM 59 CG PHE A 532 10.814 -26.432 -3.230 1.00 0.13 C ATOM 60 CD1 PHE A 532 10.419 -25.535 -2.221 1.00 71.30 C ATOM 61 CD2 PHE A 532 12.087 -27.014 -3.165 1.00 51.31 C ATOM 62 CE1 PHE A 532 11.285 -25.223 -1.164 1.00 51.32 C ATOM 63 CE2 PHE A 532 12.954 -26.718 -2.103 1.00 74.14 C ATOM 64 CZ PHE A 532 12.555 -25.824 -1.101 1.00 3.44 C ATOM 0 H PHE A 532 8.410 -24.525 -4.582 1.00 22.52 H new ATOM 0 HA PHE A 532 10.968 -25.484 -5.742 1.00 72.33 H new ATOM 0 HB2 PHE A 532 8.891 -26.846 -4.002 1.00 21.54 H new ATOM 0 HB3 PHE A 532 10.195 -27.696 -4.807 1.00 21.54 H new ATOM 0 HD1 PHE A 532 9.439 -25.082 -2.261 1.00 71.30 H new ATOM 0 HD2 PHE A 532 12.403 -27.697 -3.940 1.00 51.31 H new ATOM 0 HE1 PHE A 532 10.978 -24.523 -0.401 1.00 51.32 H new ATOM 0 HE2 PHE A 532 13.929 -27.179 -2.058 1.00 74.14 H new ATOM 0 HZ PHE A 532 13.221 -25.597 -0.282 1.00 3.44 H new ATOM 74 N THR A 533 9.883 -26.548 -7.682 1.00 65.45 N ATOM 75 CA THR A 533 9.287 -26.914 -8.958 1.00 72.33 C ATOM 76 C THR A 533 10.295 -27.838 -9.640 1.00 53.31 C ATOM 77 O THR A 533 11.453 -27.879 -9.233 1.00 53.20 O ATOM 78 CB THR A 533 9.018 -25.631 -9.786 1.00 44.43 C ATOM 79 OG1 THR A 533 8.294 -25.946 -10.977 1.00 42.43 O ATOM 80 CG2 THR A 533 10.293 -24.931 -10.151 1.00 74.23 C ATOM 0 H THR A 533 10.901 -26.615 -7.664 1.00 65.45 H new ATOM 0 HA THR A 533 8.329 -27.421 -8.847 1.00 72.33 H new ATOM 0 HB THR A 533 8.424 -24.963 -9.162 1.00 44.43 H new ATOM 0 HG1 THR A 533 8.131 -25.125 -11.487 1.00 42.43 H new ATOM 0 HG21 THR A 533 10.064 -24.037 -10.731 1.00 74.23 H new ATOM 0 HG22 THR A 533 10.826 -24.648 -9.243 1.00 74.23 H new ATOM 0 HG23 THR A 533 10.917 -25.598 -10.745 1.00 74.23 H new ATOM 88 N PHE A 534 9.869 -28.577 -10.648 1.00 43.42 N ATOM 89 CA PHE A 534 10.762 -29.452 -11.399 1.00 32.44 C ATOM 90 C PHE A 534 11.125 -28.744 -12.685 1.00 64.24 C ATOM 91 O PHE A 534 10.576 -27.690 -13.008 1.00 23.01 O ATOM 92 CB PHE A 534 10.078 -30.776 -11.758 1.00 21.15 C ATOM 93 CG PHE A 534 9.785 -31.681 -10.581 1.00 45.24 C ATOM 94 CD1 PHE A 534 10.156 -31.373 -9.257 1.00 44.05 C ATOM 95 CD2 PHE A 534 9.148 -32.891 -10.828 1.00 63.41 C ATOM 96 CE1 PHE A 534 9.853 -32.268 -8.203 1.00 10.24 C ATOM 97 CE2 PHE A 534 8.839 -33.795 -9.791 1.00 63.31 C ATOM 98 CZ PHE A 534 9.170 -33.480 -8.475 1.00 53.34 C ATOM 0 H PHE A 534 8.901 -28.591 -10.971 1.00 43.42 H new ATOM 0 HA PHE A 534 11.638 -29.671 -10.789 1.00 32.44 H new ATOM 0 HB2 PHE A 534 9.142 -30.557 -12.271 1.00 21.15 H new ATOM 0 HB3 PHE A 534 10.710 -31.315 -12.464 1.00 21.15 H new ATOM 0 HD1 PHE A 534 10.674 -30.449 -9.045 1.00 44.05 H new ATOM 0 HD2 PHE A 534 8.882 -33.146 -11.843 1.00 63.41 H new ATOM 0 HE1 PHE A 534 10.142 -32.027 -7.191 1.00 10.24 H new ATOM 0 HE2 PHE A 534 8.347 -34.730 -10.016 1.00 63.31 H new ATOM 0 HZ PHE A 534 8.909 -34.152 -7.671 1.00 53.34 H new ATOM 108 N GLU A 535 12.061 -29.344 -13.400 1.00 10.11 N ATOM 109 CA GLU A 535 12.547 -28.827 -14.680 1.00 5.11 C ATOM 110 C GLU A 535 11.479 -28.805 -15.769 1.00 41.25 C ATOM 111 O GLU A 535 11.325 -27.823 -16.487 1.00 12.34 O ATOM 112 CB GLU A 535 13.666 -29.741 -15.162 1.00 21.31 C ATOM 113 CG GLU A 535 14.992 -29.553 -14.451 1.00 5.10 C ATOM 114 CD GLU A 535 16.051 -30.503 -14.983 1.00 51.02 C ATOM 115 OE1 GLU A 535 15.774 -31.723 -15.036 1.00 3.24 O ATOM 116 OE2 GLU A 535 17.179 -30.060 -15.291 1.00 52.05 O ATOM 0 H GLU A 535 12.513 -30.212 -13.111 1.00 10.11 H new ATOM 0 HA GLU A 535 12.872 -27.801 -14.510 1.00 5.11 H new ATOM 0 HB2 GLU A 535 13.348 -30.776 -15.040 1.00 21.31 H new ATOM 0 HB3 GLU A 535 13.816 -29.577 -16.229 1.00 21.31 H new ATOM 0 HG2 GLU A 535 15.330 -28.524 -14.576 1.00 5.10 H new ATOM 0 HG3 GLU A 535 14.859 -29.718 -13.382 1.00 5.10 H new ATOM 123 N CYS A 536 10.789 -29.924 -15.913 1.00 31.23 N ATOM 124 CA CYS A 536 9.812 -30.121 -16.976 1.00 62.21 C ATOM 125 C CYS A 536 8.605 -30.797 -16.358 1.00 74.13 C ATOM 126 O CYS A 536 8.680 -31.256 -15.224 1.00 51.43 O ATOM 127 CB CYS A 536 10.400 -31.035 -18.062 1.00 42.35 C ATOM 128 SG CYS A 536 11.906 -30.386 -18.832 1.00 23.43 S ATOM 0 H CYS A 536 10.890 -30.728 -15.293 1.00 31.23 H new ATOM 0 HA CYS A 536 9.542 -29.167 -17.429 1.00 62.21 H new ATOM 0 HB2 CYS A 536 10.618 -32.009 -17.624 1.00 42.35 H new ATOM 0 HB3 CYS A 536 9.648 -31.194 -18.835 1.00 42.35 H new ATOM 0 HG CYS A 536 12.329 -31.224 -19.731 1.00 23.43 H new ATOM 134 N ASP A 537 7.533 -30.926 -17.131 1.00 2.55 N ATOM 135 CA ASP A 537 6.341 -31.659 -16.688 1.00 44.44 C ATOM 136 C ASP A 537 6.111 -32.893 -17.571 1.00 15.50 C ATOM 137 O ASP A 537 5.139 -33.595 -17.389 1.00 73.45 O ATOM 138 CB ASP A 537 5.110 -30.751 -16.741 1.00 1.22 C ATOM 139 CG ASP A 537 4.295 -30.766 -15.438 1.00 73.14 C ATOM 140 OD1 ASP A 537 3.914 -31.845 -14.916 1.00 71.31 O ATOM 141 OD2 ASP A 537 3.989 -29.646 -14.965 1.00 43.15 O ATOM 0 H ASP A 537 7.460 -30.534 -18.070 1.00 2.55 H new ATOM 0 HA ASP A 537 6.501 -31.984 -15.660 1.00 44.44 H new ATOM 0 HB2 ASP A 537 5.428 -29.730 -16.952 1.00 1.22 H new ATOM 0 HB3 ASP A 537 4.470 -31.063 -17.567 1.00 1.22 H new ATOM 146 N THR A 538 7.003 -33.150 -18.527 1.00 71.32 N ATOM 147 CA THR A 538 6.880 -34.290 -19.435 1.00 52.13 C ATOM 148 C THR A 538 8.273 -34.841 -19.783 1.00 31.24 C ATOM 149 O THR A 538 9.182 -34.087 -20.134 1.00 34.01 O ATOM 150 CB THR A 538 6.165 -33.878 -20.741 1.00 41.33 C ATOM 151 OG1 THR A 538 5.023 -33.080 -20.422 1.00 11.35 O ATOM 152 CG2 THR A 538 5.691 -35.095 -21.523 1.00 33.31 C ATOM 0 H THR A 538 7.829 -32.576 -18.694 1.00 71.32 H new ATOM 0 HA THR A 538 6.292 -35.058 -18.932 1.00 52.13 H new ATOM 0 HB THR A 538 6.876 -33.320 -21.350 1.00 41.33 H new ATOM 0 HG1 THR A 538 4.568 -32.815 -21.248 1.00 11.35 H new ATOM 0 HG21 THR A 538 5.192 -34.769 -22.436 1.00 33.31 H new ATOM 0 HG22 THR A 538 6.547 -35.719 -21.780 1.00 33.31 H new ATOM 0 HG23 THR A 538 4.993 -35.670 -20.914 1.00 33.31 H new ATOM 160 N ILE A 539 8.422 -36.149 -19.649 1.00 32.34 N ATOM 161 CA ILE A 539 9.668 -36.890 -19.921 1.00 63.20 C ATOM 162 C ILE A 539 9.304 -38.299 -20.425 1.00 1.25 C ATOM 163 O ILE A 539 8.194 -38.768 -20.197 1.00 65.11 O ATOM 164 CB ILE A 539 10.542 -36.995 -18.610 1.00 55.32 C ATOM 165 CG1 ILE A 539 11.967 -37.492 -18.908 1.00 22.12 C ATOM 166 CG2 ILE A 539 9.828 -37.859 -17.512 1.00 33.22 C ATOM 167 CD1 ILE A 539 12.276 -38.892 -18.376 1.00 13.02 C ATOM 0 H ILE A 539 7.662 -36.754 -19.339 1.00 32.34 H new ATOM 0 HA ILE A 539 10.249 -36.363 -20.678 1.00 63.20 H new ATOM 0 HB ILE A 539 10.645 -35.988 -18.206 1.00 55.32 H new ATOM 0 HG12 ILE A 539 12.122 -37.485 -19.987 1.00 22.12 H new ATOM 0 HG13 ILE A 539 12.680 -36.789 -18.479 1.00 22.12 H new ATOM 0 HG21 ILE A 539 10.457 -37.910 -16.623 1.00 33.22 H new ATOM 0 HG22 ILE A 539 8.872 -37.402 -17.254 1.00 33.22 H new ATOM 0 HG23 ILE A 539 9.658 -38.865 -17.895 1.00 33.22 H new ATOM 0 HD11 ILE A 539 13.301 -39.160 -18.632 1.00 13.02 H new ATOM 0 HD12 ILE A 539 12.157 -38.904 -17.293 1.00 13.02 H new ATOM 0 HD13 ILE A 539 11.590 -39.611 -18.824 1.00 13.02 H new ATOM 179 N HIS A 540 10.231 -38.976 -21.087 1.00 15.21 N ATOM 180 CA HIS A 540 10.060 -40.386 -21.440 1.00 51.23 C ATOM 181 C HIS A 540 11.318 -41.138 -20.982 1.00 12.40 C ATOM 182 O HIS A 540 12.421 -40.697 -21.277 1.00 64.41 O ATOM 183 CB HIS A 540 9.881 -40.575 -22.954 1.00 65.52 C ATOM 184 CG HIS A 540 8.539 -40.148 -23.467 1.00 2.03 C ATOM 185 ND1 HIS A 540 7.696 -40.982 -24.208 1.00 24.15 N ATOM 186 CD2 HIS A 540 7.855 -38.975 -23.369 1.00 53.32 C ATOM 187 CE1 HIS A 540 6.597 -40.314 -24.522 1.00 43.44 C ATOM 188 NE2 HIS A 540 6.668 -39.110 -24.023 1.00 50.13 N ATOM 0 H HIS A 540 11.116 -38.572 -21.394 1.00 15.21 H new ATOM 0 HA HIS A 540 9.164 -40.769 -20.952 1.00 51.23 H new ATOM 0 HB2 HIS A 540 10.654 -40.010 -23.474 1.00 65.52 H new ATOM 0 HB3 HIS A 540 10.035 -41.626 -23.199 1.00 65.52 H new ATOM 0 HD2 HIS A 540 8.196 -38.087 -22.858 1.00 53.32 H new ATOM 0 HE1 HIS A 540 5.772 -40.704 -25.100 1.00 43.44 H new ATOM 0 HE2 HIS A 540 5.952 -38.389 -24.109 1.00 50.13 H new ATOM 196 N VAL A 541 11.146 -42.251 -20.287 1.00 54.34 N ATOM 197 CA VAL A 541 12.272 -43.149 -19.935 1.00 24.35 C ATOM 198 C VAL A 541 12.009 -44.521 -20.545 1.00 41.44 C ATOM 199 O VAL A 541 10.978 -44.735 -21.153 1.00 33.12 O ATOM 200 CB VAL A 541 12.481 -43.349 -18.378 1.00 54.42 C ATOM 201 CG1 VAL A 541 12.897 -42.075 -17.713 1.00 2.43 C ATOM 202 CG2 VAL A 541 11.217 -43.903 -17.701 1.00 22.45 C ATOM 0 H VAL A 541 10.238 -42.569 -19.947 1.00 54.34 H new ATOM 0 HA VAL A 541 13.173 -42.675 -20.324 1.00 24.35 H new ATOM 0 HB VAL A 541 13.281 -44.080 -18.262 1.00 54.42 H new ATOM 0 HG11 VAL A 541 13.031 -42.249 -16.645 1.00 2.43 H new ATOM 0 HG12 VAL A 541 13.836 -41.729 -18.145 1.00 2.43 H new ATOM 0 HG13 VAL A 541 12.127 -41.318 -17.863 1.00 2.43 H new ATOM 0 HG21 VAL A 541 11.400 -44.026 -16.634 1.00 22.45 H new ATOM 0 HG22 VAL A 541 10.390 -43.208 -17.849 1.00 22.45 H new ATOM 0 HG23 VAL A 541 10.963 -44.868 -18.139 1.00 22.45 H new ATOM 212 N SER A 542 12.927 -45.444 -20.310 1.00 33.40 N ATOM 213 CA SER A 542 12.765 -46.858 -20.651 1.00 33.12 C ATOM 214 C SER A 542 12.909 -47.543 -19.307 1.00 3.21 C ATOM 215 O SER A 542 13.544 -46.989 -18.428 1.00 23.13 O ATOM 216 CB SER A 542 13.891 -47.305 -21.595 1.00 40.42 C ATOM 217 OG SER A 542 14.091 -48.707 -21.567 1.00 11.13 O ATOM 0 H SER A 542 13.823 -45.234 -19.870 1.00 33.40 H new ATOM 0 HA SER A 542 11.826 -47.081 -21.157 1.00 33.12 H new ATOM 0 HB2 SER A 542 13.654 -46.994 -22.613 1.00 40.42 H new ATOM 0 HB3 SER A 542 14.817 -46.802 -21.316 1.00 40.42 H new ATOM 0 HG SER A 542 13.226 -49.162 -21.638 1.00 11.13 H new ATOM 223 N GLU A 543 12.372 -48.737 -19.145 1.00 20.14 N ATOM 224 CA GLU A 543 12.551 -49.520 -17.913 1.00 65.44 C ATOM 225 C GLU A 543 14.033 -49.823 -17.696 1.00 24.14 C ATOM 226 O GLU A 543 14.522 -49.876 -16.564 1.00 35.21 O ATOM 227 CB GLU A 543 11.792 -50.864 -17.981 1.00 54.03 C ATOM 228 CG GLU A 543 11.151 -51.216 -19.340 1.00 72.10 C ATOM 229 CD GLU A 543 12.157 -51.238 -20.497 1.00 74.14 C ATOM 230 OE1 GLU A 543 13.195 -51.920 -20.403 1.00 23.04 O ATOM 231 OE2 GLU A 543 11.989 -50.398 -21.414 1.00 53.02 O ATOM 0 H GLU A 543 11.801 -49.199 -19.852 1.00 20.14 H new ATOM 0 HA GLU A 543 12.154 -48.924 -17.091 1.00 65.44 H new ATOM 0 HB2 GLU A 543 12.484 -51.662 -17.711 1.00 54.03 H new ATOM 0 HB3 GLU A 543 11.007 -50.853 -17.225 1.00 54.03 H new ATOM 0 HG2 GLU A 543 10.672 -52.192 -19.266 1.00 72.10 H new ATOM 0 HG3 GLU A 543 10.367 -50.492 -19.563 1.00 72.10 H new ATOM 238 N SER A 544 14.746 -49.972 -18.802 1.00 72.21 N ATOM 239 CA SER A 544 16.164 -50.323 -18.809 1.00 62.43 C ATOM 240 C SER A 544 17.048 -49.230 -18.225 1.00 52.24 C ATOM 241 O SER A 544 18.231 -49.451 -17.972 1.00 3.12 O ATOM 242 CB SER A 544 16.603 -50.616 -20.244 1.00 34.34 C ATOM 243 OG SER A 544 15.964 -51.781 -20.747 1.00 23.41 O ATOM 0 H SER A 544 14.353 -49.851 -19.735 1.00 72.21 H new ATOM 0 HA SER A 544 16.282 -51.203 -18.177 1.00 62.43 H new ATOM 0 HB2 SER A 544 16.366 -49.764 -20.881 1.00 34.34 H new ATOM 0 HB3 SER A 544 17.685 -50.748 -20.277 1.00 34.34 H new ATOM 0 HG SER A 544 14.999 -51.720 -20.587 1.00 23.41 H new ATOM 249 N ILE A 545 16.474 -48.064 -17.964 1.00 12.50 N ATOM 250 CA ILE A 545 17.202 -46.992 -17.302 1.00 51.22 C ATOM 251 C ILE A 545 17.525 -47.408 -15.862 1.00 24.34 C ATOM 252 O ILE A 545 18.479 -46.912 -15.254 1.00 23.32 O ATOM 253 CB ILE A 545 16.370 -45.679 -17.299 1.00 41.04 C ATOM 254 CG1 ILE A 545 17.307 -44.485 -17.080 1.00 60.12 C ATOM 255 CG2 ILE A 545 15.214 -45.745 -16.248 1.00 63.45 C ATOM 256 CD1 ILE A 545 16.607 -43.199 -16.748 1.00 12.22 C ATOM 0 H ILE A 545 15.508 -47.837 -18.200 1.00 12.50 H new ATOM 0 HA ILE A 545 18.128 -46.809 -17.848 1.00 51.22 H new ATOM 0 HB ILE A 545 15.885 -45.550 -18.267 1.00 41.04 H new ATOM 0 HG12 ILE A 545 18.000 -44.726 -16.274 1.00 60.12 H new ATOM 0 HG13 ILE A 545 17.904 -44.338 -17.980 1.00 60.12 H new ATOM 0 HG21 ILE A 545 14.650 -44.813 -16.269 1.00 63.45 H new ATOM 0 HG22 ILE A 545 14.551 -46.576 -16.488 1.00 63.45 H new ATOM 0 HG23 ILE A 545 15.635 -45.892 -15.253 1.00 63.45 H new ATOM 0 HD11 ILE A 545 17.345 -42.408 -16.610 1.00 12.22 H new ATOM 0 HD12 ILE A 545 15.935 -42.930 -17.563 1.00 12.22 H new ATOM 0 HD13 ILE A 545 16.032 -43.324 -15.830 1.00 12.22 H new ATOM 268 N GLY A 546 16.724 -48.307 -15.301 1.00 24.52 N ATOM 269 CA GLY A 546 16.934 -48.735 -13.936 1.00 70.30 C ATOM 270 C GLY A 546 16.283 -47.804 -12.951 1.00 0.53 C ATOM 271 O GLY A 546 15.355 -48.168 -12.233 1.00 21.24 O ATOM 0 H GLY A 546 15.932 -48.746 -15.771 1.00 24.52 H new ATOM 0 HA2 GLY A 546 16.534 -49.740 -13.805 1.00 70.30 H new ATOM 0 HA3 GLY A 546 18.004 -48.789 -13.733 1.00 70.30 H new ATOM 275 N VAL A 547 16.805 -46.591 -12.898 1.00 75.15 N ATOM 276 CA VAL A 547 16.350 -45.587 -11.954 1.00 22.33 C ATOM 277 C VAL A 547 16.187 -44.251 -12.669 1.00 42.43 C ATOM 278 O VAL A 547 17.144 -43.695 -13.200 1.00 53.53 O ATOM 279 CB VAL A 547 17.370 -45.448 -10.794 1.00 20.15 C ATOM 280 CG1 VAL A 547 16.954 -44.340 -9.832 1.00 62.12 C ATOM 281 CG2 VAL A 547 17.501 -46.774 -10.011 1.00 52.14 C ATOM 0 H VAL A 547 17.557 -46.275 -13.510 1.00 75.15 H new ATOM 0 HA VAL A 547 15.389 -45.892 -11.541 1.00 22.33 H new ATOM 0 HB VAL A 547 18.333 -45.196 -11.238 1.00 20.15 H new ATOM 0 HG11 VAL A 547 17.686 -44.263 -9.028 1.00 62.12 H new ATOM 0 HG12 VAL A 547 16.903 -43.393 -10.368 1.00 62.12 H new ATOM 0 HG13 VAL A 547 15.975 -44.572 -9.411 1.00 62.12 H new ATOM 0 HG21 VAL A 547 18.222 -46.650 -9.203 1.00 52.14 H new ATOM 0 HG22 VAL A 547 16.532 -47.047 -9.594 1.00 52.14 H new ATOM 0 HG23 VAL A 547 17.841 -47.561 -10.683 1.00 52.14 H new ATOM 291 N MET A 548 14.965 -43.742 -12.678 1.00 70.45 N ATOM 292 CA MET A 548 14.664 -42.444 -13.269 1.00 60.12 C ATOM 293 C MET A 548 15.011 -41.358 -12.255 1.00 41.25 C ATOM 294 O MET A 548 14.984 -41.606 -11.043 1.00 54.32 O ATOM 295 CB MET A 548 13.183 -42.372 -13.671 1.00 12.04 C ATOM 296 CG MET A 548 12.234 -41.886 -12.555 1.00 72.33 C ATOM 297 SD MET A 548 12.096 -40.083 -12.416 1.00 2.45 S ATOM 298 CE MET A 548 11.641 -39.632 -14.084 1.00 5.22 C ATOM 0 H MET A 548 14.155 -44.214 -12.277 1.00 70.45 H new ATOM 0 HA MET A 548 15.256 -42.297 -14.172 1.00 60.12 H new ATOM 0 HB2 MET A 548 13.085 -41.705 -14.528 1.00 12.04 H new ATOM 0 HB3 MET A 548 12.861 -43.361 -13.998 1.00 12.04 H new ATOM 0 HG2 MET A 548 11.242 -42.301 -12.733 1.00 72.33 H new ATOM 0 HG3 MET A 548 12.580 -42.286 -11.602 1.00 72.33 H new ATOM 0 HE1 MET A 548 10.889 -38.843 -14.055 1.00 5.22 H new ATOM 0 HE2 MET A 548 12.522 -39.275 -14.617 1.00 5.22 H new ATOM 0 HE3 MET A 548 11.234 -40.503 -14.598 1.00 5.22 H new ATOM 308 N GLU A 549 15.325 -40.163 -12.738 1.00 42.24 N ATOM 309 CA GLU A 549 15.556 -39.025 -11.856 1.00 40.11 C ATOM 310 C GLU A 549 14.840 -37.771 -12.285 1.00 42.33 C ATOM 311 O GLU A 549 14.756 -37.429 -13.465 1.00 75.32 O ATOM 312 CB GLU A 549 17.057 -38.705 -11.711 1.00 74.20 C ATOM 313 CG GLU A 549 17.516 -38.555 -10.285 1.00 12.33 C ATOM 314 CD GLU A 549 19.032 -38.390 -10.162 1.00 22.51 C ATOM 315 OE1 GLU A 549 19.687 -37.985 -11.140 1.00 45.22 O ATOM 316 OE2 GLU A 549 19.569 -38.643 -9.056 1.00 41.11 O ATOM 0 H GLU A 549 15.425 -39.956 -13.732 1.00 42.24 H new ATOM 0 HA GLU A 549 15.146 -39.338 -10.896 1.00 40.11 H new ATOM 0 HB2 GLU A 549 17.635 -39.498 -12.186 1.00 74.20 H new ATOM 0 HB3 GLU A 549 17.275 -37.784 -12.251 1.00 74.20 H new ATOM 0 HG2 GLU A 549 17.024 -37.690 -9.839 1.00 12.33 H new ATOM 0 HG3 GLU A 549 17.203 -39.429 -9.714 1.00 12.33 H new ATOM 323 N VAL A 550 14.366 -37.069 -11.274 1.00 23.43 N ATOM 324 CA VAL A 550 13.739 -35.776 -11.420 1.00 50.01 C ATOM 325 C VAL A 550 14.693 -34.805 -10.777 1.00 30.32 C ATOM 326 O VAL A 550 15.133 -35.054 -9.666 1.00 2.34 O ATOM 327 CB VAL A 550 12.373 -35.763 -10.667 1.00 73.31 C ATOM 328 CG1 VAL A 550 12.146 -34.482 -9.898 1.00 33.34 C ATOM 329 CG2 VAL A 550 11.284 -35.998 -11.622 1.00 3.13 C ATOM 0 H VAL A 550 14.409 -37.392 -10.307 1.00 23.43 H new ATOM 0 HA VAL A 550 13.541 -35.527 -12.462 1.00 50.01 H new ATOM 0 HB VAL A 550 12.393 -36.565 -9.929 1.00 73.31 H new ATOM 0 HG11 VAL A 550 11.181 -34.527 -9.393 1.00 33.34 H new ATOM 0 HG12 VAL A 550 12.937 -34.357 -9.158 1.00 33.34 H new ATOM 0 HG13 VAL A 550 12.156 -33.637 -10.587 1.00 33.34 H new ATOM 0 HG21 VAL A 550 10.330 -35.989 -11.095 1.00 3.13 H new ATOM 0 HG22 VAL A 550 11.288 -35.214 -12.379 1.00 3.13 H new ATOM 0 HG23 VAL A 550 11.424 -36.966 -12.102 1.00 3.13 H new ATOM 339 N LYS A 551 14.992 -33.688 -11.424 1.00 61.42 N ATOM 340 CA LYS A 551 15.758 -32.635 -10.765 1.00 55.40 C ATOM 341 C LYS A 551 14.757 -31.638 -10.206 1.00 52.22 C ATOM 342 O LYS A 551 13.872 -31.158 -10.920 1.00 1.10 O ATOM 343 CB LYS A 551 16.723 -31.944 -11.722 1.00 14.45 C ATOM 344 CG LYS A 551 17.646 -32.902 -12.461 1.00 22.45 C ATOM 345 CD LYS A 551 18.809 -32.155 -13.102 1.00 55.10 C ATOM 346 CE LYS A 551 19.328 -32.880 -14.340 1.00 30.45 C ATOM 347 NZ LYS A 551 18.370 -32.717 -15.490 1.00 3.24 N ATOM 0 H LYS A 551 14.723 -33.487 -12.387 1.00 61.42 H new ATOM 0 HA LYS A 551 16.371 -33.067 -9.974 1.00 55.40 H new ATOM 0 HB2 LYS A 551 16.150 -31.372 -12.451 1.00 14.45 H new ATOM 0 HB3 LYS A 551 17.328 -31.231 -11.162 1.00 14.45 H new ATOM 0 HG2 LYS A 551 18.028 -33.651 -11.768 1.00 22.45 H new ATOM 0 HG3 LYS A 551 17.084 -33.435 -13.228 1.00 22.45 H new ATOM 0 HD2 LYS A 551 18.490 -31.149 -13.376 1.00 55.10 H new ATOM 0 HD3 LYS A 551 19.616 -32.047 -12.378 1.00 55.10 H new ATOM 0 HE2 LYS A 551 20.306 -32.486 -14.616 1.00 30.45 H new ATOM 0 HE3 LYS A 551 19.462 -33.939 -14.119 1.00 30.45 H new ATOM 0 HZ1 LYS A 551 18.400 -33.566 -16.090 1.00 3.24 H new ATOM 0 HZ2 LYS A 551 17.406 -32.586 -15.123 1.00 3.24 H new ATOM 0 HZ3 LYS A 551 18.642 -31.886 -16.053 1.00 3.24 H new ATOM 361 N VAL A 552 14.887 -31.354 -8.926 1.00 31.35 N ATOM 362 CA VAL A 552 14.020 -30.413 -8.237 1.00 55.41 C ATOM 363 C VAL A 552 14.780 -29.115 -8.038 1.00 73.25 C ATOM 364 O VAL A 552 15.866 -29.107 -7.454 1.00 43.12 O ATOM 365 CB VAL A 552 13.614 -30.910 -6.832 1.00 30.33 C ATOM 366 CG1 VAL A 552 12.387 -30.125 -6.348 1.00 74.33 C ATOM 367 CG2 VAL A 552 13.325 -32.422 -6.825 1.00 51.55 C ATOM 0 H VAL A 552 15.601 -31.771 -8.329 1.00 31.35 H new ATOM 0 HA VAL A 552 13.124 -30.291 -8.845 1.00 55.41 H new ATOM 0 HB VAL A 552 14.449 -30.738 -6.152 1.00 30.33 H new ATOM 0 HG11 VAL A 552 12.099 -30.475 -5.357 1.00 74.33 H new ATOM 0 HG12 VAL A 552 12.629 -29.063 -6.302 1.00 74.33 H new ATOM 0 HG13 VAL A 552 11.560 -30.279 -7.041 1.00 74.33 H new ATOM 0 HG21 VAL A 552 13.043 -32.734 -5.819 1.00 51.55 H new ATOM 0 HG22 VAL A 552 12.510 -32.640 -7.515 1.00 51.55 H new ATOM 0 HG23 VAL A 552 14.218 -32.965 -7.136 1.00 51.55 H new ATOM 377 N LEU A 553 14.222 -28.026 -8.536 1.00 54.13 N ATOM 378 CA LEU A 553 14.837 -26.725 -8.425 1.00 50.21 C ATOM 379 C LEU A 553 14.121 -25.938 -7.344 1.00 72.14 C ATOM 380 O LEU A 553 12.981 -26.242 -6.969 1.00 52.32 O ATOM 381 CB LEU A 553 14.734 -25.977 -9.756 1.00 10.03 C ATOM 382 CG LEU A 553 15.166 -26.708 -11.042 1.00 64.02 C ATOM 383 CD1 LEU A 553 16.471 -27.516 -10.910 1.00 2.21 C ATOM 384 CD2 LEU A 553 14.068 -27.574 -11.572 1.00 34.42 C ATOM 0 H LEU A 553 13.329 -28.024 -9.028 1.00 54.13 H new ATOM 0 HA LEU A 553 15.890 -26.841 -8.170 1.00 50.21 H new ATOM 0 HB2 LEU A 553 13.697 -25.666 -9.883 1.00 10.03 H new ATOM 0 HB3 LEU A 553 15.331 -25.069 -9.674 1.00 10.03 H new ATOM 0 HG LEU A 553 15.378 -25.913 -11.757 1.00 64.02 H new ATOM 0 HD11 LEU A 553 16.699 -27.997 -11.861 1.00 2.21 H new ATOM 0 HD12 LEU A 553 17.287 -26.847 -10.637 1.00 2.21 H new ATOM 0 HD13 LEU A 553 16.352 -28.277 -10.138 1.00 2.21 H new ATOM 0 HD21 LEU A 553 14.406 -28.075 -12.479 1.00 34.42 H new ATOM 0 HD22 LEU A 553 13.800 -28.320 -10.824 1.00 34.42 H new ATOM 0 HD23 LEU A 553 13.197 -26.959 -11.800 1.00 34.42 H new ATOM 396 N ARG A 554 14.791 -24.911 -6.860 1.00 3.11 N ATOM 397 CA ARG A 554 14.284 -24.065 -5.788 1.00 53.24 C ATOM 398 C ARG A 554 14.653 -22.641 -6.158 1.00 72.52 C ATOM 399 O ARG A 554 15.775 -22.381 -6.567 1.00 33.44 O ATOM 400 CB ARG A 554 14.943 -24.510 -4.491 1.00 1.31 C ATOM 401 CG ARG A 554 14.593 -23.763 -3.226 1.00 20.10 C ATOM 402 CD ARG A 554 15.538 -24.293 -2.144 1.00 53.25 C ATOM 403 NE ARG A 554 15.263 -23.794 -0.789 1.00 3.11 N ATOM 404 CZ ARG A 554 16.125 -23.855 0.225 1.00 72.20 C ATOM 405 NH1 ARG A 554 17.332 -24.344 0.088 1.00 13.30 N ATOM 406 NH2 ARG A 554 15.770 -23.408 1.395 1.00 34.42 N ATOM 0 H ARG A 554 15.712 -24.634 -7.200 1.00 3.11 H new ATOM 0 HA ARG A 554 13.204 -24.134 -5.654 1.00 53.24 H new ATOM 0 HB2 ARG A 554 14.700 -25.561 -4.336 1.00 1.31 H new ATOM 0 HB3 ARG A 554 16.023 -24.449 -4.627 1.00 1.31 H new ATOM 0 HG2 ARG A 554 14.718 -22.689 -3.361 1.00 20.10 H new ATOM 0 HG3 ARG A 554 13.552 -23.930 -2.950 1.00 20.10 H new ATOM 0 HD2 ARG A 554 15.482 -25.382 -2.134 1.00 53.25 H new ATOM 0 HD3 ARG A 554 16.561 -24.029 -2.413 1.00 53.25 H new ATOM 0 HE ARG A 554 14.351 -23.373 -0.613 1.00 3.11 H new ATOM 0 HH11 ARG A 554 17.640 -24.695 -0.819 1.00 13.30 H new ATOM 0 HH12 ARG A 554 17.964 -24.374 0.888 1.00 13.30 H new ATOM 0 HH21 ARG A 554 14.838 -23.015 1.530 1.00 34.42 H new ATOM 0 HH22 ARG A 554 16.423 -23.451 2.177 1.00 34.42 H new ATOM 420 N THR A 555 13.691 -21.738 -6.096 1.00 4.41 N ATOM 421 CA THR A 555 13.926 -20.354 -6.537 1.00 32.24 C ATOM 422 C THR A 555 14.876 -19.612 -5.585 1.00 73.12 C ATOM 423 O THR A 555 15.199 -20.110 -4.500 1.00 54.15 O ATOM 424 CB THR A 555 12.586 -19.562 -6.693 1.00 65.44 C ATOM 425 OG1 THR A 555 12.783 -18.469 -7.590 1.00 21.20 O ATOM 426 CG2 THR A 555 12.085 -18.988 -5.363 1.00 72.53 C ATOM 0 H THR A 555 12.749 -21.923 -5.751 1.00 4.41 H new ATOM 0 HA THR A 555 14.401 -20.412 -7.516 1.00 32.24 H new ATOM 0 HB THR A 555 11.844 -20.266 -7.070 1.00 65.44 H new ATOM 0 HG1 THR A 555 11.944 -17.973 -7.690 1.00 21.20 H new ATOM 0 HG21 THR A 555 11.153 -18.448 -5.528 1.00 72.53 H new ATOM 0 HG22 THR A 555 11.914 -19.801 -4.657 1.00 72.53 H new ATOM 0 HG23 THR A 555 12.832 -18.306 -4.957 1.00 72.53 H new ATOM 434 N SER A 556 15.261 -18.398 -5.964 1.00 72.14 N ATOM 435 CA SER A 556 16.157 -17.529 -5.186 1.00 22.41 C ATOM 436 C SER A 556 15.609 -17.046 -3.835 1.00 44.10 C ATOM 437 O SER A 556 16.215 -16.213 -3.171 1.00 50.24 O ATOM 438 CB SER A 556 16.492 -16.315 -6.046 1.00 74.13 C ATOM 439 OG SER A 556 15.936 -16.490 -7.343 1.00 40.24 O ATOM 0 H SER A 556 14.955 -17.975 -6.840 1.00 72.14 H new ATOM 0 HA SER A 556 17.028 -18.135 -4.937 1.00 22.41 H new ATOM 0 HB2 SER A 556 16.096 -15.409 -5.587 1.00 74.13 H new ATOM 0 HB3 SER A 556 17.573 -16.191 -6.115 1.00 74.13 H new ATOM 0 HG SER A 556 14.998 -16.208 -7.337 1.00 40.24 H new ATOM 445 N GLY A 557 14.501 -17.634 -3.411 1.00 62.42 N ATOM 446 CA GLY A 557 13.919 -17.408 -2.104 1.00 3.25 C ATOM 447 C GLY A 557 14.532 -18.380 -1.119 1.00 73.33 C ATOM 448 O GLY A 557 14.031 -18.567 -0.036 1.00 42.54 O ATOM 0 H GLY A 557 13.973 -18.295 -3.981 1.00 62.42 H new ATOM 0 HA2 GLY A 557 14.100 -16.382 -1.783 1.00 3.25 H new ATOM 0 HA3 GLY A 557 12.838 -17.544 -2.144 1.00 3.25 H new ATOM 452 N ALA A 558 15.579 -19.077 -1.528 1.00 71.04 N ATOM 453 CA ALA A 558 16.192 -20.095 -0.690 1.00 62.22 C ATOM 454 C ALA A 558 16.898 -19.511 0.534 1.00 74.15 C ATOM 455 O ALA A 558 18.077 -19.178 0.495 1.00 11.13 O ATOM 456 CB ALA A 558 17.152 -20.899 -1.497 1.00 52.13 C ATOM 0 H ALA A 558 16.024 -18.956 -2.438 1.00 71.04 H new ATOM 0 HA ALA A 558 15.389 -20.731 -0.318 1.00 62.22 H new ATOM 0 HB1 ALA A 558 17.609 -21.661 -0.866 1.00 52.13 H new ATOM 0 HB2 ALA A 558 16.623 -21.380 -2.320 1.00 52.13 H new ATOM 0 HB3 ALA A 558 17.928 -20.246 -1.897 1.00 52.13 H new ATOM 462 N ARG A 559 16.159 -19.420 1.624 1.00 3.31 N ATOM 463 CA ARG A 559 16.671 -18.927 2.891 1.00 12.52 C ATOM 464 C ARG A 559 16.525 -20.058 3.894 1.00 21.32 C ATOM 465 O ARG A 559 15.421 -20.530 4.143 1.00 24.43 O ATOM 466 CB ARG A 559 15.850 -17.708 3.355 1.00 73.13 C ATOM 467 CG ARG A 559 15.791 -16.526 2.356 1.00 4.31 C ATOM 468 CD ARG A 559 17.127 -15.802 2.207 1.00 15.22 C ATOM 469 NE ARG A 559 17.863 -16.290 1.033 1.00 42.24 N ATOM 470 CZ ARG A 559 17.670 -15.886 -0.217 1.00 54.41 C ATOM 471 NH1 ARG A 559 16.796 -14.962 -0.535 1.00 62.34 N ATOM 472 NH2 ARG A 559 18.359 -16.446 -1.169 1.00 54.51 N ATOM 0 H ARG A 559 15.176 -19.689 1.656 1.00 3.31 H new ATOM 0 HA ARG A 559 17.711 -18.616 2.796 1.00 12.52 H new ATOM 0 HB2 ARG A 559 14.832 -18.036 3.564 1.00 73.13 H new ATOM 0 HB3 ARG A 559 16.268 -17.347 4.295 1.00 73.13 H new ATOM 0 HG2 ARG A 559 15.475 -16.897 1.381 1.00 4.31 H new ATOM 0 HG3 ARG A 559 15.034 -15.815 2.687 1.00 4.31 H new ATOM 0 HD2 ARG A 559 16.955 -14.730 2.113 1.00 15.22 H new ATOM 0 HD3 ARG A 559 17.727 -15.951 3.105 1.00 15.22 H new ATOM 0 HE ARG A 559 18.581 -16.997 1.191 1.00 42.24 H new ATOM 0 HH11 ARG A 559 16.231 -14.523 0.192 1.00 62.34 H new ATOM 0 HH12 ARG A 559 16.681 -14.682 -1.509 1.00 62.34 H new ATOM 0 HH21 ARG A 559 19.032 -17.180 -0.948 1.00 54.51 H new ATOM 0 HH22 ARG A 559 18.226 -16.151 -2.136 1.00 54.51 H new ATOM 486 N GLY A 560 17.634 -20.518 4.444 1.00 24.00 N ATOM 487 CA GLY A 560 17.580 -21.563 5.447 1.00 32.02 C ATOM 488 C GLY A 560 17.332 -22.936 4.868 1.00 40.14 C ATOM 489 O GLY A 560 17.583 -23.196 3.684 1.00 40.04 O ATOM 0 H GLY A 560 18.572 -20.189 4.216 1.00 24.00 H new ATOM 0 HA2 GLY A 560 18.519 -21.574 6.001 1.00 32.02 H new ATOM 0 HA3 GLY A 560 16.791 -21.330 6.162 1.00 32.02 H new ATOM 493 N THR A 561 16.828 -23.815 5.713 1.00 51.52 N ATOM 494 CA THR A 561 16.601 -25.206 5.365 1.00 61.21 C ATOM 495 C THR A 561 15.123 -25.466 5.268 1.00 72.30 C ATOM 496 O THR A 561 14.352 -25.122 6.136 1.00 13.30 O ATOM 497 CB THR A 561 17.198 -26.181 6.406 1.00 61.32 C ATOM 498 OG1 THR A 561 18.587 -25.903 6.579 1.00 64.13 O ATOM 499 CG2 THR A 561 17.026 -27.610 6.006 1.00 20.25 C ATOM 0 H THR A 561 16.562 -23.582 6.670 1.00 51.52 H new ATOM 0 HA THR A 561 17.097 -25.380 4.410 1.00 61.21 H new ATOM 0 HB THR A 561 16.659 -26.031 7.342 1.00 61.32 H new ATOM 0 HG1 THR A 561 18.694 -25.044 7.038 1.00 64.13 H new ATOM 0 HG21 THR A 561 17.461 -28.256 6.768 1.00 20.25 H new ATOM 0 HG22 THR A 561 15.964 -27.834 5.903 1.00 20.25 H new ATOM 0 HG23 THR A 561 17.527 -27.784 5.054 1.00 20.25 H new ATOM 507 N VAL A 562 14.755 -26.084 4.177 1.00 71.42 N ATOM 508 CA VAL A 562 13.389 -26.486 3.878 1.00 54.44 C ATOM 509 C VAL A 562 13.461 -27.979 3.598 1.00 74.21 C ATOM 510 O VAL A 562 14.404 -28.429 2.972 1.00 14.14 O ATOM 511 CB VAL A 562 12.857 -25.738 2.618 1.00 35.03 C ATOM 512 CG1 VAL A 562 11.476 -26.239 2.211 1.00 35.55 C ATOM 513 CG2 VAL A 562 12.781 -24.227 2.871 1.00 11.52 C ATOM 0 H VAL A 562 15.415 -26.334 3.441 1.00 71.42 H new ATOM 0 HA VAL A 562 12.714 -26.250 4.701 1.00 54.44 H new ATOM 0 HB VAL A 562 13.560 -25.940 1.810 1.00 35.03 H new ATOM 0 HG11 VAL A 562 11.137 -25.695 1.329 1.00 35.55 H new ATOM 0 HG12 VAL A 562 11.528 -27.304 1.983 1.00 35.55 H new ATOM 0 HG13 VAL A 562 10.774 -26.077 3.029 1.00 35.55 H new ATOM 0 HG21 VAL A 562 12.407 -23.727 1.978 1.00 11.52 H new ATOM 0 HG22 VAL A 562 12.107 -24.031 3.705 1.00 11.52 H new ATOM 0 HG23 VAL A 562 13.774 -23.848 3.110 1.00 11.52 H new ATOM 523 N ILE A 563 12.474 -28.737 4.044 1.00 44.04 N ATOM 524 CA ILE A 563 12.395 -30.155 3.741 1.00 62.21 C ATOM 525 C ILE A 563 11.221 -30.315 2.767 1.00 72.55 C ATOM 526 O ILE A 563 10.208 -29.615 2.906 1.00 21.14 O ATOM 527 CB ILE A 563 12.233 -31.004 5.037 1.00 21.13 C ATOM 528 CG1 ILE A 563 12.950 -32.344 4.868 1.00 64.22 C ATOM 529 CG2 ILE A 563 10.752 -31.251 5.406 1.00 34.21 C ATOM 530 CD1 ILE A 563 13.434 -32.936 6.162 1.00 64.43 C ATOM 0 H ILE A 563 11.709 -28.389 4.623 1.00 44.04 H new ATOM 0 HA ILE A 563 13.313 -30.524 3.284 1.00 62.21 H new ATOM 0 HB ILE A 563 12.679 -30.435 5.853 1.00 21.13 H new ATOM 0 HG12 ILE A 563 12.274 -33.050 4.386 1.00 64.22 H new ATOM 0 HG13 ILE A 563 13.800 -32.210 4.199 1.00 64.22 H new ATOM 0 HG21 ILE A 563 10.699 -31.847 6.317 1.00 34.21 H new ATOM 0 HG22 ILE A 563 10.253 -30.295 5.568 1.00 34.21 H new ATOM 0 HG23 ILE A 563 10.259 -31.784 4.594 1.00 34.21 H new ATOM 0 HD11 ILE A 563 13.932 -33.885 5.964 1.00 64.43 H new ATOM 0 HD12 ILE A 563 14.136 -32.250 6.636 1.00 64.43 H new ATOM 0 HD13 ILE A 563 12.586 -33.103 6.826 1.00 64.43 H new ATOM 542 N VAL A 564 11.355 -31.159 1.753 1.00 65.12 N ATOM 543 CA VAL A 564 10.278 -31.347 0.768 1.00 63.31 C ATOM 544 C VAL A 564 9.999 -32.822 0.413 1.00 13.42 C ATOM 545 O VAL A 564 10.839 -33.486 -0.189 1.00 74.42 O ATOM 546 CB VAL A 564 10.571 -30.617 -0.574 1.00 33.23 C ATOM 547 CG1 VAL A 564 9.282 -30.556 -1.427 1.00 62.33 C ATOM 548 CG2 VAL A 564 11.089 -29.203 -0.324 1.00 20.42 C ATOM 0 H VAL A 564 12.188 -31.724 1.584 1.00 65.12 H new ATOM 0 HA VAL A 564 9.406 -30.924 1.267 1.00 63.31 H new ATOM 0 HB VAL A 564 11.339 -31.176 -1.109 1.00 33.23 H new ATOM 0 HG11 VAL A 564 9.491 -30.044 -2.366 1.00 62.33 H new ATOM 0 HG12 VAL A 564 8.935 -31.568 -1.635 1.00 62.33 H new ATOM 0 HG13 VAL A 564 8.510 -30.013 -0.882 1.00 62.33 H new ATOM 0 HG21 VAL A 564 11.286 -28.714 -1.278 1.00 20.42 H new ATOM 0 HG22 VAL A 564 10.341 -28.634 0.228 1.00 20.42 H new ATOM 0 HG23 VAL A 564 12.010 -29.250 0.257 1.00 20.42 H new ATOM 558 N PRO A 565 8.806 -33.340 0.758 1.00 11.41 N ATOM 559 CA PRO A 565 8.405 -34.688 0.340 1.00 11.54 C ATOM 560 C PRO A 565 8.001 -34.827 -1.110 1.00 61.33 C ATOM 561 O PRO A 565 7.492 -33.888 -1.716 1.00 33.23 O ATOM 562 CB PRO A 565 7.173 -34.958 1.219 1.00 12.23 C ATOM 563 CG PRO A 565 6.611 -33.641 1.466 1.00 64.14 C ATOM 564 CD PRO A 565 7.757 -32.704 1.570 1.00 52.43 C ATOM 0 HA PRO A 565 9.244 -35.375 0.448 1.00 11.54 H new ATOM 0 HB2 PRO A 565 6.458 -35.607 0.713 1.00 12.23 H new ATOM 0 HB3 PRO A 565 7.450 -35.453 2.150 1.00 12.23 H new ATOM 0 HG2 PRO A 565 5.942 -33.347 0.657 1.00 64.14 H new ATOM 0 HG3 PRO A 565 6.022 -33.637 2.383 1.00 64.14 H new ATOM 0 HD2 PRO A 565 7.501 -31.715 1.189 1.00 52.43 H new ATOM 0 HD3 PRO A 565 8.075 -32.575 2.604 1.00 52.43 H new ATOM 572 N PHE A 566 8.144 -36.039 -1.625 1.00 73.41 N ATOM 573 CA PHE A 566 7.660 -36.409 -2.940 1.00 42.31 C ATOM 574 C PHE A 566 7.055 -37.790 -2.841 1.00 52.12 C ATOM 575 O PHE A 566 7.305 -38.493 -1.863 1.00 3.42 O ATOM 576 CB PHE A 566 8.828 -36.460 -3.899 1.00 74.10 C ATOM 577 CG PHE A 566 9.893 -37.464 -3.507 1.00 15.43 C ATOM 578 CD1 PHE A 566 10.950 -37.092 -2.655 1.00 41.22 C ATOM 579 CD2 PHE A 566 9.854 -38.783 -4.002 1.00 35.34 C ATOM 580 CE1 PHE A 566 11.956 -38.022 -2.293 1.00 25.20 C ATOM 581 CE2 PHE A 566 10.855 -39.721 -3.646 1.00 51.22 C ATOM 582 CZ PHE A 566 11.907 -39.336 -2.795 1.00 60.24 C ATOM 0 H PHE A 566 8.607 -36.802 -1.131 1.00 73.41 H new ATOM 0 HA PHE A 566 6.924 -35.687 -3.293 1.00 42.31 H new ATOM 0 HB2 PHE A 566 8.459 -36.705 -4.895 1.00 74.10 H new ATOM 0 HB3 PHE A 566 9.280 -35.470 -3.961 1.00 74.10 H new ATOM 0 HD1 PHE A 566 10.995 -36.083 -2.272 1.00 41.22 H new ATOM 0 HD2 PHE A 566 9.052 -39.082 -4.660 1.00 35.34 H new ATOM 0 HE1 PHE A 566 12.758 -37.723 -1.634 1.00 25.20 H new ATOM 0 HE2 PHE A 566 10.810 -40.730 -4.028 1.00 51.22 H new ATOM 0 HZ PHE A 566 12.675 -40.047 -2.528 1.00 60.24 H new ATOM 592 N ARG A 567 6.311 -38.197 -3.864 1.00 1.42 N ATOM 593 CA ARG A 567 5.813 -39.566 -3.969 1.00 30.15 C ATOM 594 C ARG A 567 5.526 -39.860 -5.431 1.00 62.11 C ATOM 595 O ARG A 567 5.188 -38.946 -6.186 1.00 55.41 O ATOM 596 CB ARG A 567 4.548 -39.759 -3.111 1.00 34.41 C ATOM 597 CG ARG A 567 3.369 -38.894 -3.525 1.00 61.34 C ATOM 598 CD ARG A 567 2.415 -39.649 -4.433 1.00 5.42 C ATOM 599 NE ARG A 567 1.624 -40.690 -3.735 1.00 41.31 N ATOM 600 CZ ARG A 567 0.744 -41.511 -4.315 1.00 63.33 C ATOM 601 NH1 ARG A 567 0.439 -41.438 -5.579 1.00 63.40 N ATOM 602 NH2 ARG A 567 0.164 -42.435 -3.604 1.00 14.03 N ATOM 0 H ARG A 567 6.037 -37.593 -4.639 1.00 1.42 H new ATOM 0 HA ARG A 567 6.565 -40.261 -3.594 1.00 30.15 H new ATOM 0 HB2 ARG A 567 4.249 -40.806 -3.158 1.00 34.41 H new ATOM 0 HB3 ARG A 567 4.793 -39.544 -2.071 1.00 34.41 H new ATOM 0 HG2 ARG A 567 2.836 -38.555 -2.637 1.00 61.34 H new ATOM 0 HG3 ARG A 567 3.732 -38.003 -4.038 1.00 61.34 H new ATOM 0 HD2 ARG A 567 1.732 -38.938 -4.899 1.00 5.42 H new ATOM 0 HD3 ARG A 567 2.985 -40.116 -5.236 1.00 5.42 H new ATOM 0 HE ARG A 567 1.763 -40.788 -2.729 1.00 41.31 H new ATOM 0 HH11 ARG A 567 0.878 -40.732 -6.170 1.00 63.40 H new ATOM 0 HH12 ARG A 567 -0.239 -42.087 -5.978 1.00 63.40 H new ATOM 0 HH21 ARG A 567 0.383 -42.528 -2.612 1.00 14.03 H new ATOM 0 HH22 ARG A 567 -0.509 -43.066 -4.039 1.00 14.03 H new ATOM 616 N THR A 568 5.618 -41.121 -5.814 1.00 24.12 N ATOM 617 CA THR A 568 5.346 -41.547 -7.185 1.00 53.25 C ATOM 618 C THR A 568 3.833 -41.669 -7.308 1.00 41.13 C ATOM 619 O THR A 568 3.176 -42.105 -6.375 1.00 14.40 O ATOM 620 CB THR A 568 6.035 -42.894 -7.458 1.00 34.54 C ATOM 621 OG1 THR A 568 7.388 -42.809 -7.032 1.00 2.31 O ATOM 622 CG2 THR A 568 6.086 -43.231 -8.897 1.00 74.25 C ATOM 0 H THR A 568 5.883 -41.882 -5.188 1.00 24.12 H new ATOM 0 HA THR A 568 5.731 -40.834 -7.914 1.00 53.25 H new ATOM 0 HB THR A 568 5.459 -43.652 -6.927 1.00 34.54 H new ATOM 0 HG1 THR A 568 7.942 -43.399 -7.584 1.00 2.31 H new ATOM 0 HG21 THR A 568 6.583 -44.192 -9.028 1.00 74.25 H new ATOM 0 HG22 THR A 568 5.072 -43.290 -9.293 1.00 74.25 H new ATOM 0 HG23 THR A 568 6.640 -42.460 -9.432 1.00 74.25 H new ATOM 630 N VAL A 569 3.291 -41.168 -8.405 1.00 51.11 N ATOM 631 CA VAL A 569 1.867 -41.009 -8.622 1.00 63.31 C ATOM 632 C VAL A 569 1.610 -41.704 -9.903 1.00 51.53 C ATOM 633 O VAL A 569 2.084 -41.317 -10.951 1.00 70.35 O ATOM 634 CB VAL A 569 1.428 -39.528 -8.824 1.00 65.13 C ATOM 635 CG1 VAL A 569 -0.099 -39.446 -9.001 1.00 2.31 C ATOM 636 CG2 VAL A 569 1.847 -38.637 -7.673 1.00 13.34 C ATOM 0 H VAL A 569 3.852 -40.850 -9.195 1.00 51.11 H new ATOM 0 HA VAL A 569 1.327 -41.390 -7.755 1.00 63.31 H new ATOM 0 HB VAL A 569 1.931 -39.169 -9.722 1.00 65.13 H new ATOM 0 HG11 VAL A 569 -0.394 -38.406 -9.141 1.00 2.31 H new ATOM 0 HG12 VAL A 569 -0.396 -40.028 -9.873 1.00 2.31 H new ATOM 0 HG13 VAL A 569 -0.590 -39.846 -8.114 1.00 2.31 H new ATOM 0 HG21 VAL A 569 1.517 -37.616 -7.864 1.00 13.34 H new ATOM 0 HG22 VAL A 569 1.394 -38.998 -6.750 1.00 13.34 H new ATOM 0 HG23 VAL A 569 2.932 -38.655 -7.576 1.00 13.34 H new ATOM 646 N GLU A 570 0.901 -42.779 -9.799 1.00 33.02 N ATOM 647 CA GLU A 570 0.636 -43.609 -10.929 1.00 43.33 C ATOM 648 C GLU A 570 -0.511 -43.059 -11.778 1.00 13.31 C ATOM 649 O GLU A 570 -1.496 -42.547 -11.252 1.00 63.13 O ATOM 650 CB GLU A 570 0.406 -45.034 -10.448 1.00 20.01 C ATOM 651 CG GLU A 570 0.173 -45.266 -8.904 1.00 4.23 C ATOM 652 CD GLU A 570 -0.950 -44.426 -8.251 1.00 12.10 C ATOM 653 OE1 GLU A 570 -2.138 -44.754 -8.404 1.00 53.02 O ATOM 654 OE2 GLU A 570 -0.600 -43.464 -7.497 1.00 50.05 O ATOM 0 H GLU A 570 0.488 -43.108 -8.926 1.00 33.02 H new ATOM 0 HA GLU A 570 1.498 -43.615 -11.596 1.00 43.33 H new ATOM 0 HB2 GLU A 570 -0.459 -45.430 -10.980 1.00 20.01 H new ATOM 0 HB3 GLU A 570 1.267 -45.631 -10.749 1.00 20.01 H new ATOM 0 HG2 GLU A 570 -0.051 -46.321 -8.746 1.00 4.23 H new ATOM 0 HG3 GLU A 570 1.106 -45.057 -8.381 1.00 4.23 H new ATOM 661 N GLY A 571 -0.336 -43.116 -13.096 1.00 15.14 N ATOM 662 CA GLY A 571 -1.363 -42.668 -14.024 1.00 3.01 C ATOM 663 C GLY A 571 -2.040 -43.918 -14.530 1.00 33.33 C ATOM 664 O GLY A 571 -3.049 -44.351 -13.983 1.00 62.10 O ATOM 0 H GLY A 571 0.510 -43.469 -13.543 1.00 15.14 H new ATOM 0 HA2 GLY A 571 -2.077 -42.011 -13.528 1.00 3.01 H new ATOM 0 HA3 GLY A 571 -0.926 -42.101 -14.846 1.00 3.01 H new ATOM 668 N THR A 572 -1.398 -44.583 -15.480 1.00 1.52 N ATOM 669 CA THR A 572 -1.739 -45.969 -15.781 1.00 4.25 C ATOM 670 C THR A 572 -0.486 -46.778 -15.465 1.00 54.40 C ATOM 671 O THR A 572 0.515 -46.679 -16.176 1.00 52.42 O ATOM 672 CB THR A 572 -2.202 -46.184 -17.259 1.00 33.32 C ATOM 673 OG1 THR A 572 -1.926 -47.529 -17.658 1.00 64.51 O ATOM 674 CG2 THR A 572 -1.507 -45.243 -18.241 1.00 44.42 C ATOM 0 H THR A 572 -0.647 -44.193 -16.050 1.00 1.52 H new ATOM 0 HA THR A 572 -2.593 -46.286 -15.183 1.00 4.25 H new ATOM 0 HB THR A 572 -3.271 -45.972 -17.285 1.00 33.32 H new ATOM 0 HG1 THR A 572 -2.218 -47.662 -18.584 1.00 64.51 H new ATOM 0 HG21 THR A 572 -1.869 -45.439 -19.250 1.00 44.42 H new ATOM 0 HG22 THR A 572 -1.725 -44.210 -17.971 1.00 44.42 H new ATOM 0 HG23 THR A 572 -0.430 -45.408 -18.203 1.00 44.42 H new ATOM 682 N ALA A 573 -0.567 -47.581 -14.408 1.00 41.40 N ATOM 683 CA ALA A 573 0.519 -48.456 -13.955 1.00 52.43 C ATOM 684 C ALA A 573 -0.038 -49.277 -12.793 1.00 24.41 C ATOM 685 O ALA A 573 -1.071 -48.923 -12.224 1.00 31.43 O ATOM 686 CB ALA A 573 1.744 -47.639 -13.476 1.00 33.35 C ATOM 0 H ALA A 573 -1.404 -47.646 -13.829 1.00 41.40 H new ATOM 0 HA ALA A 573 0.858 -49.089 -14.775 1.00 52.43 H new ATOM 0 HB1 ALA A 573 2.529 -48.320 -13.148 1.00 33.35 H new ATOM 0 HB2 ALA A 573 2.115 -47.025 -14.297 1.00 33.35 H new ATOM 0 HB3 ALA A 573 1.451 -46.996 -12.646 1.00 33.35 H new ATOM 692 N LYS A 574 0.655 -50.346 -12.433 1.00 64.30 N ATOM 693 CA LYS A 574 0.262 -51.218 -11.326 1.00 53.01 C ATOM 694 C LYS A 574 0.670 -50.612 -9.984 1.00 63.10 C ATOM 695 O LYS A 574 0.017 -50.819 -8.964 1.00 52.12 O ATOM 696 CB LYS A 574 0.967 -52.556 -11.477 1.00 72.51 C ATOM 697 CG LYS A 574 0.821 -53.198 -12.848 1.00 74.21 C ATOM 698 CD LYS A 574 -0.084 -54.379 -12.856 1.00 32.40 C ATOM 699 CE LYS A 574 0.203 -55.223 -14.083 1.00 54.04 C ATOM 700 NZ LYS A 574 1.601 -55.830 -14.065 1.00 51.25 N ATOM 0 H LYS A 574 1.513 -50.639 -12.901 1.00 64.30 H new ATOM 0 HA LYS A 574 -0.821 -51.340 -11.350 1.00 53.01 H new ATOM 0 HB2 LYS A 574 2.027 -52.419 -11.266 1.00 72.51 H new ATOM 0 HB3 LYS A 574 0.579 -53.243 -10.725 1.00 72.51 H new ATOM 0 HG2 LYS A 574 0.442 -52.455 -13.550 1.00 74.21 H new ATOM 0 HG3 LYS A 574 1.805 -53.502 -13.205 1.00 74.21 H new ATOM 0 HD2 LYS A 574 0.063 -54.970 -11.952 1.00 32.40 H new ATOM 0 HD3 LYS A 574 -1.124 -54.054 -12.859 1.00 32.40 H new ATOM 0 HE2 LYS A 574 -0.535 -56.022 -14.150 1.00 54.04 H new ATOM 0 HE3 LYS A 574 0.089 -54.609 -14.976 1.00 54.04 H new ATOM 0 HZ1 LYS A 574 1.645 -56.620 -14.740 1.00 51.25 H new ATOM 0 HZ2 LYS A 574 2.297 -55.106 -14.333 1.00 51.25 H new ATOM 0 HZ3 LYS A 574 1.816 -56.179 -13.109 1.00 51.25 H new ATOM 714 N GLY A 575 1.776 -49.878 -10.004 1.00 24.53 N ATOM 715 CA GLY A 575 2.328 -49.284 -8.795 1.00 0.01 C ATOM 716 C GLY A 575 2.974 -50.275 -7.849 1.00 63.43 C ATOM 717 O GLY A 575 3.204 -51.436 -8.196 1.00 33.20 O ATOM 0 H GLY A 575 2.310 -49.680 -10.850 1.00 24.53 H new ATOM 0 HA2 GLY A 575 3.068 -48.535 -9.078 1.00 0.01 H new ATOM 0 HA3 GLY A 575 1.532 -48.761 -8.266 1.00 0.01 H new ATOM 721 N GLY A 576 3.241 -49.829 -6.628 1.00 45.42 N ATOM 722 CA GLY A 576 3.763 -50.711 -5.604 1.00 21.04 C ATOM 723 C GLY A 576 5.201 -51.100 -5.845 1.00 30.25 C ATOM 724 O GLY A 576 6.106 -50.318 -5.630 1.00 64.12 O ATOM 0 H GLY A 576 3.104 -48.864 -6.328 1.00 45.42 H new ATOM 0 HA2 GLY A 576 3.681 -50.222 -4.633 1.00 21.04 H new ATOM 0 HA3 GLY A 576 3.150 -51.611 -5.560 1.00 21.04 H new ATOM 728 N GLY A 577 5.393 -52.356 -6.203 1.00 31.11 N ATOM 729 CA GLY A 577 6.698 -52.873 -6.594 1.00 61.11 C ATOM 730 C GLY A 577 6.636 -53.482 -7.974 1.00 24.22 C ATOM 731 O GLY A 577 7.502 -54.273 -8.315 1.00 52.41 O ATOM 0 H GLY A 577 4.648 -53.052 -6.232 1.00 31.11 H new ATOM 0 HA2 GLY A 577 7.434 -52.069 -6.578 1.00 61.11 H new ATOM 0 HA3 GLY A 577 7.029 -53.622 -5.875 1.00 61.11 H new ATOM 735 N GLU A 578 5.527 -53.283 -8.667 1.00 75.13 N ATOM 736 CA GLU A 578 5.225 -54.063 -9.871 1.00 3.21 C ATOM 737 C GLU A 578 5.615 -53.420 -11.206 1.00 54.21 C ATOM 738 O GLU A 578 6.235 -54.071 -12.024 1.00 54.14 O ATOM 739 CB GLU A 578 3.743 -54.420 -9.838 1.00 71.21 C ATOM 740 CG GLU A 578 3.302 -55.353 -10.948 1.00 31.40 C ATOM 741 CD GLU A 578 1.995 -56.081 -10.619 1.00 10.24 C ATOM 742 OE1 GLU A 578 1.336 -55.741 -9.610 1.00 2.02 O ATOM 743 OE2 GLU A 578 1.604 -56.975 -11.404 1.00 4.00 O ATOM 0 H GLU A 578 4.818 -52.591 -8.423 1.00 75.13 H new ATOM 0 HA GLU A 578 5.857 -54.950 -9.836 1.00 3.21 H new ATOM 0 HB2 GLU A 578 3.514 -54.882 -8.878 1.00 71.21 H new ATOM 0 HB3 GLU A 578 3.159 -53.502 -9.897 1.00 71.21 H new ATOM 0 HG2 GLU A 578 3.175 -54.783 -11.868 1.00 31.40 H new ATOM 0 HG3 GLU A 578 4.086 -56.087 -11.134 1.00 31.40 H new ATOM 750 N ASP A 579 5.278 -52.150 -11.420 1.00 34.34 N ATOM 751 CA ASP A 579 5.679 -51.448 -12.656 1.00 74.13 C ATOM 752 C ASP A 579 6.813 -50.499 -12.337 1.00 23.31 C ATOM 753 O ASP A 579 7.695 -50.210 -13.138 1.00 51.10 O ATOM 754 CB ASP A 579 4.519 -50.631 -13.200 1.00 33.13 C ATOM 755 CG ASP A 579 3.562 -51.451 -14.032 1.00 45.43 C ATOM 756 OD1 ASP A 579 3.768 -52.664 -14.220 1.00 72.42 O ATOM 757 OD2 ASP A 579 2.496 -50.897 -14.363 1.00 21.00 O ATOM 0 H ASP A 579 4.735 -51.584 -10.768 1.00 34.34 H new ATOM 0 HA ASP A 579 5.985 -52.188 -13.396 1.00 74.13 H new ATOM 0 HB2 ASP A 579 3.976 -50.181 -12.368 1.00 33.13 H new ATOM 0 HB3 ASP A 579 4.910 -49.813 -13.805 1.00 33.13 H new ATOM 762 N PHE A 580 6.799 -50.028 -11.111 1.00 64.10 N ATOM 763 CA PHE A 580 7.862 -49.202 -10.600 1.00 13.21 C ATOM 764 C PHE A 580 7.763 -49.400 -9.118 1.00 30.44 C ATOM 765 O PHE A 580 6.734 -49.866 -8.620 1.00 43.31 O ATOM 766 CB PHE A 580 7.684 -47.722 -10.987 1.00 22.22 C ATOM 767 CG PHE A 580 6.360 -47.136 -10.572 1.00 10.15 C ATOM 768 CD1 PHE A 580 6.094 -46.850 -9.220 1.00 12.30 C ATOM 769 CD2 PHE A 580 5.370 -46.854 -11.530 1.00 4.31 C ATOM 770 CE1 PHE A 580 4.867 -46.305 -8.822 1.00 71.32 C ATOM 771 CE2 PHE A 580 4.136 -46.286 -11.136 1.00 13.42 C ATOM 772 CZ PHE A 580 3.892 -46.017 -9.773 1.00 45.33 C ATOM 0 H PHE A 580 6.050 -50.208 -10.443 1.00 64.10 H new ATOM 0 HA PHE A 580 8.837 -49.472 -11.006 1.00 13.21 H new ATOM 0 HB2 PHE A 580 8.486 -47.139 -10.533 1.00 22.22 H new ATOM 0 HB3 PHE A 580 7.791 -47.624 -12.067 1.00 22.22 H new ATOM 0 HD1 PHE A 580 6.850 -47.055 -8.476 1.00 12.30 H new ATOM 0 HD2 PHE A 580 5.553 -47.072 -12.572 1.00 4.31 H new ATOM 0 HE1 PHE A 580 4.677 -46.108 -7.777 1.00 71.32 H new ATOM 0 HE2 PHE A 580 3.383 -46.059 -11.876 1.00 13.42 H new ATOM 0 HZ PHE A 580 2.949 -45.588 -9.467 1.00 45.33 H new ATOM 782 N GLU A 581 8.805 -49.028 -8.411 1.00 41.23 N ATOM 783 CA GLU A 581 8.757 -49.030 -6.954 1.00 1.15 C ATOM 784 C GLU A 581 8.201 -47.694 -6.471 1.00 31.53 C ATOM 785 O GLU A 581 8.651 -46.635 -6.921 1.00 65.32 O ATOM 786 CB GLU A 581 10.137 -49.280 -6.359 1.00 53.53 C ATOM 787 CG GLU A 581 10.593 -50.721 -6.536 1.00 41.53 C ATOM 788 CD GLU A 581 11.955 -50.988 -5.898 1.00 41.34 C ATOM 789 OE1 GLU A 581 12.675 -50.017 -5.572 1.00 41.42 O ATOM 790 OE2 GLU A 581 12.345 -52.173 -5.804 1.00 21.42 O ATOM 0 H GLU A 581 9.692 -48.721 -8.810 1.00 41.23 H new ATOM 0 HA GLU A 581 8.106 -49.839 -6.622 1.00 1.15 H new ATOM 0 HB2 GLU A 581 10.859 -48.613 -6.830 1.00 53.53 H new ATOM 0 HB3 GLU A 581 10.122 -49.034 -5.297 1.00 53.53 H new ATOM 0 HG2 GLU A 581 9.853 -51.389 -6.096 1.00 41.53 H new ATOM 0 HG3 GLU A 581 10.642 -50.955 -7.599 1.00 41.53 H new ATOM 797 N ASP A 582 7.222 -47.754 -5.572 1.00 31.25 N ATOM 798 CA ASP A 582 6.593 -46.566 -4.971 1.00 33.10 C ATOM 799 C ASP A 582 7.654 -45.742 -4.265 1.00 71.20 C ATOM 800 O ASP A 582 8.043 -46.030 -3.130 1.00 25.13 O ATOM 801 CB ASP A 582 5.546 -46.950 -3.917 1.00 33.01 C ATOM 802 CG ASP A 582 4.211 -47.363 -4.514 1.00 43.33 C ATOM 803 OD1 ASP A 582 3.947 -47.093 -5.702 1.00 54.13 O ATOM 804 OD2 ASP A 582 3.386 -47.906 -3.749 1.00 32.25 O ATOM 0 H ASP A 582 6.834 -48.634 -5.232 1.00 31.25 H new ATOM 0 HA ASP A 582 6.113 -46.010 -5.776 1.00 33.10 H new ATOM 0 HB2 ASP A 582 5.934 -47.770 -3.312 1.00 33.01 H new ATOM 0 HB3 ASP A 582 5.390 -46.105 -3.246 1.00 33.01 H new ATOM 809 N ALA A 583 8.146 -44.729 -4.946 1.00 63.34 N ATOM 810 CA ALA A 583 9.245 -43.951 -4.441 1.00 53.10 C ATOM 811 C ALA A 583 8.754 -42.683 -3.768 1.00 1.35 C ATOM 812 O ALA A 583 8.366 -41.714 -4.422 1.00 44.13 O ATOM 813 CB ALA A 583 10.203 -43.644 -5.543 1.00 40.43 C ATOM 0 H ALA A 583 7.796 -44.428 -5.856 1.00 63.34 H new ATOM 0 HA ALA A 583 9.767 -44.537 -3.685 1.00 53.10 H new ATOM 0 HB1 ALA A 583 11.032 -43.055 -5.151 1.00 40.43 H new ATOM 0 HB2 ALA A 583 10.586 -44.575 -5.962 1.00 40.43 H new ATOM 0 HB3 ALA A 583 9.692 -43.078 -6.322 1.00 40.43 H new ATOM 819 N TYR A 584 8.782 -42.689 -2.450 1.00 71.22 N ATOM 820 CA TYR A 584 8.387 -41.529 -1.674 1.00 61.34 C ATOM 821 C TYR A 584 9.393 -41.311 -0.567 1.00 61.53 C ATOM 822 O TYR A 584 9.924 -42.259 0.005 1.00 2.21 O ATOM 823 CB TYR A 584 6.975 -41.716 -1.108 1.00 14.42 C ATOM 824 CG TYR A 584 6.772 -43.022 -0.371 1.00 2.55 C ATOM 825 CD1 TYR A 584 6.357 -44.178 -1.066 1.00 13.53 C ATOM 826 CD2 TYR A 584 6.989 -43.120 1.019 1.00 72.40 C ATOM 827 CE1 TYR A 584 6.174 -45.407 -0.394 1.00 50.21 C ATOM 828 CE2 TYR A 584 6.803 -44.356 1.700 1.00 53.32 C ATOM 829 CZ TYR A 584 6.398 -45.487 0.980 1.00 23.32 C ATOM 830 OH TYR A 584 6.221 -46.683 1.628 1.00 65.43 O ATOM 0 H TYR A 584 9.076 -43.490 -1.891 1.00 71.22 H new ATOM 0 HA TYR A 584 8.368 -40.648 -2.316 1.00 61.34 H new ATOM 0 HB2 TYR A 584 6.755 -40.891 -0.431 1.00 14.42 H new ATOM 0 HB3 TYR A 584 6.257 -41.657 -1.926 1.00 14.42 H new ATOM 0 HD1 TYR A 584 6.176 -44.122 -2.129 1.00 13.53 H new ATOM 0 HD2 TYR A 584 7.300 -42.247 1.573 1.00 72.40 H new ATOM 0 HE1 TYR A 584 5.861 -46.283 -0.943 1.00 50.21 H new ATOM 0 HE2 TYR A 584 6.973 -44.421 2.765 1.00 53.32 H new ATOM 0 HH TYR A 584 6.419 -46.571 2.581 1.00 65.43 H new ATOM 840 N GLY A 585 9.675 -40.055 -0.277 1.00 43.14 N ATOM 841 CA GLY A 585 10.617 -39.737 0.777 1.00 71.10 C ATOM 842 C GLY A 585 10.652 -38.245 0.942 1.00 53.01 C ATOM 843 O GLY A 585 9.871 -37.550 0.296 1.00 23.11 O ATOM 0 H GLY A 585 9.270 -39.247 -0.751 1.00 43.14 H new ATOM 0 HA2 GLY A 585 10.319 -40.216 1.710 1.00 71.10 H new ATOM 0 HA3 GLY A 585 11.608 -40.115 0.527 1.00 71.10 H new ATOM 847 N GLU A 586 11.549 -37.746 1.776 1.00 32.11 N ATOM 848 CA GLU A 586 11.709 -36.309 1.963 1.00 21.23 C ATOM 849 C GLU A 586 13.110 -35.901 1.590 1.00 54.33 C ATOM 850 O GLU A 586 14.063 -36.652 1.770 1.00 64.40 O ATOM 851 CB GLU A 586 11.426 -35.892 3.404 1.00 51.31 C ATOM 852 CG GLU A 586 9.931 -35.855 3.696 1.00 23.23 C ATOM 853 CD GLU A 586 9.557 -35.212 5.024 1.00 63.31 C ATOM 854 OE1 GLU A 586 10.413 -34.607 5.694 1.00 12.45 O ATOM 855 OE2 GLU A 586 8.346 -35.226 5.342 1.00 31.13 O ATOM 0 H GLU A 586 12.181 -38.316 2.338 1.00 32.11 H new ATOM 0 HA GLU A 586 10.988 -35.807 1.318 1.00 21.23 H new ATOM 0 HB2 GLU A 586 11.913 -36.588 4.087 1.00 51.31 H new ATOM 0 HB3 GLU A 586 11.858 -34.909 3.590 1.00 51.31 H new ATOM 0 HG2 GLU A 586 9.431 -35.314 2.893 1.00 23.23 H new ATOM 0 HG3 GLU A 586 9.546 -36.875 3.681 1.00 23.23 H new ATOM 862 N LEU A 587 13.212 -34.701 1.047 1.00 22.24 N ATOM 863 CA LEU A 587 14.466 -34.160 0.583 1.00 72.11 C ATOM 864 C LEU A 587 14.782 -32.936 1.397 1.00 73.43 C ATOM 865 O LEU A 587 13.972 -32.024 1.482 1.00 12.21 O ATOM 866 CB LEU A 587 14.323 -33.725 -0.872 1.00 32.02 C ATOM 867 CG LEU A 587 13.852 -34.767 -1.885 1.00 34.23 C ATOM 868 CD1 LEU A 587 13.247 -34.039 -3.054 1.00 3.01 C ATOM 869 CD2 LEU A 587 14.971 -35.660 -2.360 1.00 13.53 C ATOM 0 H LEU A 587 12.418 -34.074 0.917 1.00 22.24 H new ATOM 0 HA LEU A 587 15.249 -34.913 0.677 1.00 72.11 H new ATOM 0 HB2 LEU A 587 13.626 -32.888 -0.904 1.00 32.02 H new ATOM 0 HB3 LEU A 587 15.290 -33.347 -1.205 1.00 32.02 H new ATOM 0 HG LEU A 587 13.121 -35.415 -1.401 1.00 34.23 H new ATOM 0 HD11 LEU A 587 12.902 -34.762 -3.794 1.00 3.01 H new ATOM 0 HD12 LEU A 587 12.404 -33.439 -2.712 1.00 3.01 H new ATOM 0 HD13 LEU A 587 13.996 -33.388 -3.505 1.00 3.01 H new ATOM 0 HD21 LEU A 587 14.581 -36.382 -3.078 1.00 13.53 H new ATOM 0 HD22 LEU A 587 15.742 -35.055 -2.836 1.00 13.53 H new ATOM 0 HD23 LEU A 587 15.400 -36.190 -1.509 1.00 13.53 H new ATOM 881 N GLU A 588 15.963 -32.890 1.969 1.00 64.11 N ATOM 882 CA GLU A 588 16.405 -31.699 2.656 1.00 65.40 C ATOM 883 C GLU A 588 16.999 -30.769 1.611 1.00 12.32 C ATOM 884 O GLU A 588 17.677 -31.191 0.678 1.00 5.01 O ATOM 885 CB GLU A 588 17.409 -32.025 3.777 1.00 33.45 C ATOM 886 CG GLU A 588 18.747 -32.642 3.333 1.00 35.25 C ATOM 887 CD GLU A 588 19.708 -31.627 2.712 1.00 71.01 C ATOM 888 OE1 GLU A 588 19.687 -30.433 3.105 1.00 2.12 O ATOM 889 OE2 GLU A 588 20.471 -32.026 1.804 1.00 11.21 O ATOM 0 H GLU A 588 16.632 -33.660 1.972 1.00 64.11 H new ATOM 0 HA GLU A 588 15.564 -31.215 3.153 1.00 65.40 H new ATOM 0 HB2 GLU A 588 17.620 -31.107 4.325 1.00 33.45 H new ATOM 0 HB3 GLU A 588 16.931 -32.711 4.476 1.00 33.45 H new ATOM 0 HG2 GLU A 588 19.228 -33.107 4.194 1.00 35.25 H new ATOM 0 HG3 GLU A 588 18.551 -33.435 2.611 1.00 35.25 H new ATOM 896 N PHE A 589 16.698 -29.499 1.767 1.00 44.24 N ATOM 897 CA PHE A 589 17.315 -28.446 0.968 1.00 41.11 C ATOM 898 C PHE A 589 17.848 -27.396 1.937 1.00 1.31 C ATOM 899 O PHE A 589 17.059 -26.692 2.567 1.00 22.44 O ATOM 900 CB PHE A 589 16.270 -27.756 0.089 1.00 12.32 C ATOM 901 CG PHE A 589 15.760 -28.584 -1.054 1.00 41.12 C ATOM 902 CD1 PHE A 589 14.794 -29.595 -0.861 1.00 62.50 C ATOM 903 CD2 PHE A 589 16.194 -28.301 -2.360 1.00 33.44 C ATOM 904 CE1 PHE A 589 14.263 -30.298 -1.959 1.00 72.51 C ATOM 905 CE2 PHE A 589 15.660 -28.997 -3.465 1.00 32.54 C ATOM 906 CZ PHE A 589 14.687 -29.998 -3.256 1.00 23.20 C ATOM 0 H PHE A 589 16.020 -29.160 2.449 1.00 44.24 H new ATOM 0 HA PHE A 589 18.095 -28.877 0.340 1.00 41.11 H new ATOM 0 HB2 PHE A 589 15.425 -27.466 0.714 1.00 12.32 H new ATOM 0 HB3 PHE A 589 16.701 -26.838 -0.310 1.00 12.32 H new ATOM 0 HD1 PHE A 589 14.459 -29.831 0.138 1.00 62.50 H new ATOM 0 HD2 PHE A 589 16.945 -27.542 -2.520 1.00 33.44 H new ATOM 0 HE1 PHE A 589 13.526 -31.071 -1.798 1.00 72.51 H new ATOM 0 HE2 PHE A 589 15.994 -28.765 -4.466 1.00 32.54 H new ATOM 0 HZ PHE A 589 14.271 -30.531 -4.098 1.00 23.20 H new ATOM 916 N LYS A 590 19.157 -27.188 1.971 1.00 43.34 N ATOM 917 CA LYS A 590 19.771 -26.161 2.833 1.00 0.12 C ATOM 918 C LYS A 590 20.449 -25.053 2.034 1.00 71.11 C ATOM 919 O LYS A 590 21.458 -25.265 1.406 1.00 5.13 O ATOM 920 CB LYS A 590 20.785 -26.816 3.775 1.00 22.14 C ATOM 921 CG LYS A 590 21.348 -25.851 4.818 1.00 60.11 C ATOM 922 CD LYS A 590 22.121 -26.601 5.899 1.00 73.05 C ATOM 923 CE LYS A 590 22.505 -25.683 7.063 1.00 52.31 C ATOM 924 NZ LYS A 590 21.301 -25.296 7.890 1.00 62.43 N ATOM 0 H LYS A 590 19.827 -27.716 1.411 1.00 43.34 H new ATOM 0 HA LYS A 590 18.968 -25.698 3.407 1.00 0.12 H new ATOM 0 HB2 LYS A 590 20.309 -27.654 4.284 1.00 22.14 H new ATOM 0 HB3 LYS A 590 21.606 -27.225 3.187 1.00 22.14 H new ATOM 0 HG2 LYS A 590 22.004 -25.128 4.333 1.00 60.11 H new ATOM 0 HG3 LYS A 590 20.534 -25.287 5.273 1.00 60.11 H new ATOM 0 HD2 LYS A 590 21.516 -27.427 6.272 1.00 73.05 H new ATOM 0 HD3 LYS A 590 23.022 -27.036 5.466 1.00 73.05 H new ATOM 0 HE2 LYS A 590 23.236 -26.185 7.697 1.00 52.31 H new ATOM 0 HE3 LYS A 590 22.984 -24.784 6.675 1.00 52.31 H new ATOM 0 HZ1 LYS A 590 21.249 -24.260 7.963 1.00 62.43 H new ATOM 0 HZ2 LYS A 590 20.437 -25.655 7.435 1.00 62.43 H new ATOM 0 HZ3 LYS A 590 21.387 -25.706 8.842 1.00 62.43 H new ATOM 938 N ASN A 591 19.855 -23.868 2.097 1.00 24.05 N ATOM 939 CA ASN A 591 20.315 -22.640 1.430 1.00 30.33 C ATOM 940 C ASN A 591 20.768 -22.790 -0.036 1.00 45.42 C ATOM 941 O ASN A 591 19.981 -22.557 -0.937 1.00 33.30 O ATOM 942 CB ASN A 591 21.399 -21.974 2.303 1.00 5.25 C ATOM 943 CG ASN A 591 21.633 -20.520 1.967 1.00 44.32 C ATOM 944 OD1 ASN A 591 20.828 -19.956 1.121 1.00 31.10 O flip ATOM 945 ND2 ASN A 591 22.479 -19.890 2.564 1.00 60.21 N flip ATOM 0 H ASN A 591 19.001 -23.722 2.636 1.00 24.05 H new ATOM 0 HA ASN A 591 19.438 -21.998 1.342 1.00 30.33 H new ATOM 0 HB2 ASN A 591 21.111 -22.055 3.351 1.00 5.25 H new ATOM 0 HB3 ASN A 591 22.335 -22.521 2.187 1.00 5.25 H new ATOM 0 HD21 ASN A 591 23.097 -20.363 3.223 1.00 60.21 H new ATOM 0 HD22 ASN A 591 22.573 -18.886 2.407 1.00 60.21 H new ATOM 952 N ASP A 592 22.026 -23.136 -0.240 1.00 20.40 N ATOM 953 CA ASP A 592 22.667 -23.202 -1.570 1.00 31.32 C ATOM 954 C ASP A 592 22.281 -24.457 -2.361 1.00 60.25 C ATOM 955 O ASP A 592 22.303 -24.464 -3.588 1.00 73.32 O ATOM 956 CB ASP A 592 24.180 -23.130 -1.387 1.00 73.21 C ATOM 957 CG ASP A 592 24.605 -21.837 -0.724 1.00 5.11 C ATOM 958 OD1 ASP A 592 24.179 -20.754 -1.188 1.00 10.33 O ATOM 959 OD2 ASP A 592 25.271 -21.904 0.330 1.00 63.43 O ATOM 0 H ASP A 592 22.657 -23.387 0.521 1.00 20.40 H new ATOM 0 HA ASP A 592 22.310 -22.355 -2.157 1.00 31.32 H new ATOM 0 HB2 ASP A 592 24.514 -23.974 -0.784 1.00 73.21 H new ATOM 0 HB3 ASP A 592 24.668 -23.218 -2.358 1.00 73.21 H new ATOM 964 N GLU A 593 21.864 -25.473 -1.618 1.00 4.14 N ATOM 965 CA GLU A 593 21.247 -26.748 -2.072 1.00 73.43 C ATOM 966 C GLU A 593 20.077 -26.700 -3.064 1.00 41.43 C ATOM 967 O GLU A 593 19.238 -27.592 -3.055 1.00 40.02 O ATOM 968 CB GLU A 593 20.876 -27.618 -0.871 1.00 3.45 C ATOM 969 CG GLU A 593 22.075 -28.072 -0.036 1.00 62.00 C ATOM 970 CD GLU A 593 23.033 -28.937 -0.831 1.00 43.23 C ATOM 971 OE1 GLU A 593 22.572 -29.922 -1.448 1.00 22.41 O ATOM 972 OE2 GLU A 593 24.240 -28.634 -0.851 1.00 3.22 O ATOM 0 H GLU A 593 21.947 -25.442 -0.602 1.00 4.14 H new ATOM 0 HA GLU A 593 22.046 -27.180 -2.674 1.00 73.43 H new ATOM 0 HB2 GLU A 593 20.190 -27.062 -0.231 1.00 3.45 H new ATOM 0 HB3 GLU A 593 20.339 -28.498 -1.225 1.00 3.45 H new ATOM 0 HG2 GLU A 593 22.605 -27.197 0.340 1.00 62.00 H new ATOM 0 HG3 GLU A 593 21.721 -28.628 0.832 1.00 62.00 H new ATOM 979 N THR A 594 19.870 -25.589 -3.754 1.00 22.23 N ATOM 980 CA THR A 594 18.652 -25.338 -4.515 1.00 71.41 C ATOM 981 C THR A 594 18.564 -26.196 -5.780 1.00 20.45 C ATOM 982 O THR A 594 17.707 -25.968 -6.634 1.00 74.32 O ATOM 983 CB THR A 594 18.663 -23.878 -5.047 1.00 40.34 C ATOM 984 OG1 THR A 594 19.746 -23.714 -5.964 1.00 10.11 O ATOM 985 CG2 THR A 594 18.866 -22.878 -3.938 1.00 4.14 C ATOM 0 H THR A 594 20.548 -24.828 -3.803 1.00 22.23 H new ATOM 0 HA THR A 594 17.828 -25.555 -3.836 1.00 71.41 H new ATOM 0 HB THR A 594 17.698 -23.702 -5.522 1.00 40.34 H new ATOM 0 HG1 THR A 594 19.753 -22.794 -6.301 1.00 10.11 H new ATOM 0 HG21 THR A 594 18.867 -21.870 -4.353 1.00 4.14 H new ATOM 0 HG22 THR A 594 18.058 -22.971 -3.212 1.00 4.14 H new ATOM 0 HG23 THR A 594 19.820 -23.069 -3.446 1.00 4.14 H new ATOM 993 N VAL A 595 19.397 -27.225 -5.834 1.00 72.24 N ATOM 994 CA VAL A 595 19.318 -28.262 -6.855 1.00 64.31 C ATOM 995 C VAL A 595 19.367 -29.588 -6.101 1.00 40.43 C ATOM 996 O VAL A 595 20.284 -29.822 -5.317 1.00 43.32 O ATOM 997 CB VAL A 595 20.512 -28.207 -7.854 1.00 12.12 C ATOM 998 CG1 VAL A 595 20.050 -28.630 -9.253 1.00 21.31 C ATOM 999 CG2 VAL A 595 21.136 -26.792 -7.901 1.00 25.35 C ATOM 0 H VAL A 595 20.154 -27.366 -5.165 1.00 72.24 H new ATOM 0 HA VAL A 595 18.410 -28.132 -7.444 1.00 64.31 H new ATOM 0 HB VAL A 595 21.277 -28.901 -7.507 1.00 12.12 H new ATOM 0 HG11 VAL A 595 20.893 -28.588 -9.943 1.00 21.31 H new ATOM 0 HG12 VAL A 595 19.662 -29.648 -9.216 1.00 21.31 H new ATOM 0 HG13 VAL A 595 19.266 -27.955 -9.597 1.00 21.31 H new ATOM 0 HG21 VAL A 595 21.967 -26.784 -8.606 1.00 25.35 H new ATOM 0 HG22 VAL A 595 20.382 -26.072 -8.220 1.00 25.35 H new ATOM 0 HG23 VAL A 595 21.499 -26.521 -6.910 1.00 25.35 H new ATOM 1009 N LYS A 596 18.374 -30.438 -6.307 1.00 22.31 N ATOM 1010 CA LYS A 596 18.318 -31.743 -5.646 1.00 42.41 C ATOM 1011 C LYS A 596 17.645 -32.685 -6.612 1.00 23.13 C ATOM 1012 O LYS A 596 17.158 -32.234 -7.639 1.00 73.42 O ATOM 1013 CB LYS A 596 17.517 -31.634 -4.344 1.00 11.41 C ATOM 1014 CG LYS A 596 17.715 -32.775 -3.331 1.00 5.24 C ATOM 1015 CD LYS A 596 19.156 -32.896 -2.829 1.00 32.45 C ATOM 1016 CE LYS A 596 19.556 -31.659 -2.038 1.00 21.15 C ATOM 1017 NZ LYS A 596 20.654 -31.908 -1.042 1.00 22.10 N ATOM 0 H LYS A 596 17.588 -30.251 -6.930 1.00 22.31 H new ATOM 0 HA LYS A 596 19.313 -32.104 -5.387 1.00 42.41 H new ATOM 0 HB2 LYS A 596 17.778 -30.694 -3.858 1.00 11.41 H new ATOM 0 HB3 LYS A 596 16.458 -31.579 -4.596 1.00 11.41 H new ATOM 0 HG2 LYS A 596 17.053 -32.615 -2.480 1.00 5.24 H new ATOM 0 HG3 LYS A 596 17.418 -33.717 -3.792 1.00 5.24 H new ATOM 0 HD2 LYS A 596 19.255 -33.782 -2.202 1.00 32.45 H new ATOM 0 HD3 LYS A 596 19.831 -33.027 -3.675 1.00 32.45 H new ATOM 0 HE2 LYS A 596 19.877 -30.882 -2.732 1.00 21.15 H new ATOM 0 HE3 LYS A 596 18.681 -31.276 -1.513 1.00 21.15 H new ATOM 0 HZ1 LYS A 596 20.265 -31.867 -0.079 1.00 22.10 H new ATOM 0 HZ2 LYS A 596 21.067 -32.848 -1.209 1.00 22.10 H new ATOM 0 HZ3 LYS A 596 21.391 -31.182 -1.149 1.00 22.10 H new ATOM 1031 N THR A 597 17.609 -33.968 -6.312 1.00 22.25 N ATOM 1032 CA THR A 597 17.038 -34.938 -7.215 1.00 12.42 C ATOM 1033 C THR A 597 16.168 -35.971 -6.505 1.00 31.15 C ATOM 1034 O THR A 597 16.347 -36.237 -5.321 1.00 3.33 O ATOM 1035 CB THR A 597 18.179 -35.668 -7.900 1.00 44.00 C ATOM 1036 OG1 THR A 597 19.413 -35.322 -7.260 1.00 60.43 O ATOM 1037 CG2 THR A 597 18.302 -35.302 -9.387 1.00 12.31 C ATOM 0 H THR A 597 17.972 -34.361 -5.444 1.00 22.25 H new ATOM 0 HA THR A 597 16.402 -34.403 -7.920 1.00 12.42 H new ATOM 0 HB THR A 597 17.968 -36.735 -7.822 1.00 44.00 H new ATOM 0 HG1 THR A 597 20.152 -35.793 -7.698 1.00 60.43 H new ATOM 0 HG21 THR A 597 19.133 -35.851 -9.829 1.00 12.31 H new ATOM 0 HG22 THR A 597 17.378 -35.563 -9.904 1.00 12.31 H new ATOM 0 HG23 THR A 597 18.482 -34.231 -9.485 1.00 12.31 H new ATOM 1045 N ILE A 598 15.239 -36.552 -7.254 1.00 21.14 N ATOM 1046 CA ILE A 598 14.354 -37.623 -6.778 1.00 53.45 C ATOM 1047 C ILE A 598 14.624 -38.822 -7.642 1.00 31.24 C ATOM 1048 O ILE A 598 14.672 -38.694 -8.842 1.00 54.42 O ATOM 1049 CB ILE A 598 12.857 -37.251 -6.945 1.00 20.55 C ATOM 1050 CG1 ILE A 598 12.503 -36.201 -5.900 1.00 53.32 C ATOM 1051 CG2 ILE A 598 11.940 -38.524 -6.816 1.00 61.32 C ATOM 1052 CD1 ILE A 598 11.167 -35.534 -6.086 1.00 12.34 C ATOM 0 H ILE A 598 15.072 -36.292 -8.226 1.00 21.14 H new ATOM 0 HA ILE A 598 14.546 -37.803 -5.720 1.00 53.45 H new ATOM 0 HB ILE A 598 12.686 -36.843 -7.941 1.00 20.55 H new ATOM 0 HG12 ILE A 598 12.523 -36.670 -4.916 1.00 53.32 H new ATOM 0 HG13 ILE A 598 13.277 -35.434 -5.903 1.00 53.32 H new ATOM 0 HG21 ILE A 598 10.896 -38.234 -6.937 1.00 61.32 H new ATOM 0 HG22 ILE A 598 12.208 -39.245 -7.588 1.00 61.32 H new ATOM 0 HG23 ILE A 598 12.080 -38.975 -5.834 1.00 61.32 H new ATOM 0 HD11 ILE A 598 11.011 -34.805 -5.291 1.00 12.34 H new ATOM 0 HD12 ILE A 598 11.144 -35.029 -7.052 1.00 12.34 H new ATOM 0 HD13 ILE A 598 10.377 -36.285 -6.050 1.00 12.34 H new ATOM 1064 N ARG A 599 14.772 -39.978 -7.017 1.00 24.24 N ATOM 1065 CA ARG A 599 15.030 -41.241 -7.719 1.00 31.54 C ATOM 1066 C ARG A 599 13.875 -42.220 -7.565 1.00 5.24 C ATOM 1067 O ARG A 599 13.343 -42.376 -6.471 1.00 75.02 O ATOM 1068 CB ARG A 599 16.305 -41.888 -7.174 1.00 5.02 C ATOM 1069 CG ARG A 599 17.535 -41.217 -7.708 1.00 10.43 C ATOM 1070 CD ARG A 599 18.826 -41.909 -7.346 1.00 34.34 C ATOM 1071 NE ARG A 599 19.918 -41.169 -7.986 1.00 4.10 N ATOM 1072 CZ ARG A 599 21.152 -41.602 -8.187 1.00 33.41 C ATOM 1073 NH1 ARG A 599 21.560 -42.789 -7.802 1.00 72.14 N ATOM 1074 NH2 ARG A 599 21.983 -40.812 -8.803 1.00 64.13 N ATOM 0 H ARG A 599 14.718 -40.076 -6.003 1.00 24.24 H new ATOM 0 HA ARG A 599 15.145 -41.008 -8.778 1.00 31.54 H new ATOM 0 HB2 ARG A 599 16.304 -41.835 -6.085 1.00 5.02 H new ATOM 0 HB3 ARG A 599 16.321 -42.945 -7.441 1.00 5.02 H new ATOM 0 HG2 ARG A 599 17.460 -41.158 -8.794 1.00 10.43 H new ATOM 0 HG3 ARG A 599 17.568 -40.194 -7.334 1.00 10.43 H new ATOM 0 HD2 ARG A 599 18.959 -41.930 -6.264 1.00 34.34 H new ATOM 0 HD3 ARG A 599 18.814 -42.945 -7.686 1.00 34.34 H new ATOM 0 HE ARG A 599 19.705 -40.225 -8.309 1.00 4.10 H new ATOM 0 HH11 ARG A 599 20.915 -43.420 -7.326 1.00 72.14 H new ATOM 0 HH12 ARG A 599 22.522 -43.080 -7.979 1.00 72.14 H new ATOM 0 HH21 ARG A 599 21.675 -39.891 -9.114 1.00 64.13 H new ATOM 0 HH22 ARG A 599 22.942 -41.114 -8.974 1.00 64.13 H new ATOM 1088 N VAL A 600 13.520 -42.883 -8.658 1.00 31.44 N ATOM 1089 CA VAL A 600 12.451 -43.898 -8.668 1.00 40.25 C ATOM 1090 C VAL A 600 12.953 -45.116 -9.440 1.00 74.42 C ATOM 1091 O VAL A 600 13.399 -44.968 -10.578 1.00 11.33 O ATOM 1092 CB VAL A 600 11.173 -43.357 -9.393 1.00 55.02 C ATOM 1093 CG1 VAL A 600 10.053 -44.363 -9.378 1.00 14.12 C ATOM 1094 CG2 VAL A 600 10.735 -42.013 -8.803 1.00 32.12 C ATOM 0 H VAL A 600 13.959 -42.739 -9.567 1.00 31.44 H new ATOM 0 HA VAL A 600 12.197 -44.151 -7.639 1.00 40.25 H new ATOM 0 HB VAL A 600 11.433 -43.191 -10.438 1.00 55.02 H new ATOM 0 HG11 VAL A 600 9.185 -43.949 -9.891 1.00 14.12 H new ATOM 0 HG12 VAL A 600 10.374 -45.273 -9.885 1.00 14.12 H new ATOM 0 HG13 VAL A 600 9.788 -44.597 -8.347 1.00 14.12 H new ATOM 0 HG21 VAL A 600 9.845 -41.659 -9.324 1.00 32.12 H new ATOM 0 HG22 VAL A 600 10.510 -42.137 -7.744 1.00 32.12 H new ATOM 0 HG23 VAL A 600 11.538 -41.285 -8.921 1.00 32.12 H new ATOM 1104 N LYS A 601 12.904 -46.307 -8.849 1.00 71.44 N ATOM 1105 CA LYS A 601 13.342 -47.517 -9.563 1.00 71.13 C ATOM 1106 C LYS A 601 12.203 -48.006 -10.442 1.00 72.35 C ATOM 1107 O LYS A 601 11.063 -48.074 -9.992 1.00 30.14 O ATOM 1108 CB LYS A 601 13.740 -48.639 -8.601 1.00 23.12 C ATOM 1109 CG LYS A 601 14.569 -49.743 -9.292 1.00 54.11 C ATOM 1110 CD LYS A 601 14.573 -51.056 -8.516 1.00 52.52 C ATOM 1111 CE LYS A 601 13.375 -51.941 -8.882 1.00 22.35 C ATOM 1112 NZ LYS A 601 13.461 -52.539 -10.269 1.00 15.11 N ATOM 0 H LYS A 601 12.574 -46.466 -7.897 1.00 71.44 H new ATOM 0 HA LYS A 601 14.218 -47.258 -10.158 1.00 71.13 H new ATOM 0 HB2 LYS A 601 14.316 -48.219 -7.776 1.00 23.12 H new ATOM 0 HB3 LYS A 601 12.841 -49.080 -8.170 1.00 23.12 H new ATOM 0 HG2 LYS A 601 14.170 -49.918 -10.291 1.00 54.11 H new ATOM 0 HG3 LYS A 601 15.595 -49.396 -9.415 1.00 54.11 H new ATOM 0 HD2 LYS A 601 15.498 -51.595 -8.720 1.00 52.52 H new ATOM 0 HD3 LYS A 601 14.556 -50.846 -7.447 1.00 52.52 H new ATOM 0 HE2 LYS A 601 13.294 -52.747 -8.153 1.00 22.35 H new ATOM 0 HE3 LYS A 601 12.462 -51.350 -8.807 1.00 22.35 H new ATOM 0 HZ1 LYS A 601 12.844 -53.374 -10.326 1.00 15.11 H new ATOM 0 HZ2 LYS A 601 13.156 -51.834 -10.970 1.00 15.11 H new ATOM 0 HZ3 LYS A 601 14.443 -52.820 -10.466 1.00 15.11 H new ATOM 1126 N ILE A 602 12.511 -48.360 -11.676 1.00 63.43 N ATOM 1127 CA ILE A 602 11.513 -48.859 -12.616 1.00 34.22 C ATOM 1128 C ILE A 602 11.589 -50.388 -12.588 1.00 65.21 C ATOM 1129 O ILE A 602 12.686 -50.946 -12.477 1.00 20.45 O ATOM 1130 CB ILE A 602 11.766 -48.303 -14.058 1.00 31.10 C ATOM 1131 CG1 ILE A 602 12.068 -46.776 -14.007 1.00 0.42 C ATOM 1132 CG2 ILE A 602 10.545 -48.609 -14.964 1.00 0.21 C ATOM 1133 CD1 ILE A 602 10.957 -45.901 -13.411 1.00 72.25 C ATOM 0 H ILE A 602 13.455 -48.312 -12.058 1.00 63.43 H new ATOM 0 HA ILE A 602 10.517 -48.523 -12.329 1.00 34.22 H new ATOM 0 HB ILE A 602 12.638 -48.798 -14.485 1.00 31.10 H new ATOM 0 HG12 ILE A 602 12.978 -46.623 -13.426 1.00 0.42 H new ATOM 0 HG13 ILE A 602 12.274 -46.430 -15.020 1.00 0.42 H new ATOM 0 HG21 ILE A 602 10.728 -48.219 -15.965 1.00 0.21 H new ATOM 0 HG22 ILE A 602 10.392 -49.687 -15.016 1.00 0.21 H new ATOM 0 HG23 ILE A 602 9.655 -48.136 -14.548 1.00 0.21 H new ATOM 0 HD11 ILE A 602 11.270 -44.857 -13.423 1.00 72.25 H new ATOM 0 HD12 ILE A 602 10.048 -46.014 -14.002 1.00 72.25 H new ATOM 0 HD13 ILE A 602 10.763 -46.209 -12.384 1.00 72.25 H new ATOM 1145 N VAL A 603 10.443 -51.049 -12.606 1.00 74.04 N ATOM 1146 CA VAL A 603 10.353 -52.516 -12.546 1.00 63.20 C ATOM 1147 C VAL A 603 9.879 -53.043 -13.920 1.00 30.11 C ATOM 1148 O VAL A 603 9.143 -52.366 -14.620 1.00 14.33 O ATOM 1149 CB VAL A 603 9.381 -52.955 -11.402 1.00 10.04 C ATOM 1150 CG1 VAL A 603 9.335 -54.478 -11.255 1.00 4.14 C ATOM 1151 CG2 VAL A 603 9.819 -52.345 -10.049 1.00 31.21 C ATOM 0 H VAL A 603 9.535 -50.587 -12.663 1.00 74.04 H new ATOM 0 HA VAL A 603 11.332 -52.940 -12.322 1.00 63.20 H new ATOM 0 HB VAL A 603 8.390 -52.592 -11.673 1.00 10.04 H new ATOM 0 HG11 VAL A 603 8.650 -54.745 -10.451 1.00 4.14 H new ATOM 0 HG12 VAL A 603 8.991 -54.923 -12.188 1.00 4.14 H new ATOM 0 HG13 VAL A 603 10.332 -54.851 -11.021 1.00 4.14 H new ATOM 0 HG21 VAL A 603 9.130 -52.663 -9.267 1.00 31.21 H new ATOM 0 HG22 VAL A 603 10.826 -52.685 -9.806 1.00 31.21 H new ATOM 0 HG23 VAL A 603 9.810 -51.257 -10.120 1.00 31.21 H new ATOM 1295 N GLU A 612 3.040 -47.208 -20.641 1.00 43.35 N ATOM 1296 CA GLU A 612 2.529 -46.895 -19.312 1.00 14.13 C ATOM 1297 C GLU A 612 3.126 -45.571 -18.848 1.00 62.00 C ATOM 1298 O GLU A 612 4.123 -45.093 -19.410 1.00 14.31 O ATOM 1299 CB GLU A 612 2.881 -48.020 -18.342 1.00 64.32 C ATOM 1300 CG GLU A 612 4.362 -48.239 -18.184 1.00 21.10 C ATOM 1301 CD GLU A 612 4.655 -49.276 -17.142 1.00 34.55 C ATOM 1302 OE1 GLU A 612 4.496 -50.482 -17.428 1.00 32.31 O ATOM 1303 OE2 GLU A 612 4.994 -48.884 -16.012 1.00 22.22 O ATOM 0 HA GLU A 612 1.443 -46.802 -19.343 1.00 14.13 H new ATOM 0 HB2 GLU A 612 2.449 -47.796 -17.367 1.00 64.32 H new ATOM 0 HB3 GLU A 612 2.421 -48.945 -18.689 1.00 64.32 H new ATOM 0 HG2 GLU A 612 4.789 -48.549 -19.138 1.00 21.10 H new ATOM 0 HG3 GLU A 612 4.843 -47.300 -17.910 1.00 21.10 H new ATOM 1310 N ASN A 613 2.513 -44.943 -17.848 1.00 42.04 N ATOM 1311 CA ASN A 613 2.961 -43.645 -17.401 1.00 10.41 C ATOM 1312 C ASN A 613 2.709 -43.393 -15.916 1.00 71.13 C ATOM 1313 O ASN A 613 1.765 -43.918 -15.315 1.00 35.02 O ATOM 1314 CB ASN A 613 2.263 -42.581 -18.247 1.00 62.02 C ATOM 1315 CG ASN A 613 1.109 -41.941 -17.551 1.00 32.04 C ATOM 1316 OD1 ASN A 613 0.084 -42.544 -17.281 1.00 10.35 O ATOM 1317 ND2 ASN A 613 1.267 -40.697 -17.275 1.00 70.21 N ATOM 0 H ASN A 613 1.711 -45.316 -17.340 1.00 42.04 H new ATOM 0 HA ASN A 613 4.043 -43.601 -17.528 1.00 10.41 H new ATOM 0 HB2 ASN A 613 2.986 -41.812 -18.521 1.00 62.02 H new ATOM 0 HB3 ASN A 613 1.913 -43.035 -19.174 1.00 62.02 H new ATOM 0 HD21 ASN A 613 0.520 -40.178 -16.814 1.00 70.21 H new ATOM 0 HD22 ASN A 613 2.140 -40.228 -17.517 1.00 70.21 H new ATOM 1324 N PHE A 614 3.555 -42.564 -15.332 1.00 53.44 N ATOM 1325 CA PHE A 614 3.409 -42.158 -13.943 1.00 3.20 C ATOM 1326 C PHE A 614 4.030 -40.781 -13.813 1.00 2.42 C ATOM 1327 O PHE A 614 4.724 -40.331 -14.708 1.00 12.12 O ATOM 1328 CB PHE A 614 4.095 -43.159 -12.999 1.00 53.01 C ATOM 1329 CG PHE A 614 5.599 -43.080 -13.005 1.00 12.22 C ATOM 1330 CD1 PHE A 614 6.265 -42.193 -12.134 1.00 61.30 C ATOM 1331 CD2 PHE A 614 6.360 -43.902 -13.853 1.00 25.50 C ATOM 1332 CE1 PHE A 614 7.674 -42.129 -12.098 1.00 73.15 C ATOM 1333 CE2 PHE A 614 7.774 -43.847 -13.823 1.00 21.13 C ATOM 1334 CZ PHE A 614 8.423 -42.965 -12.936 1.00 62.22 C ATOM 0 H PHE A 614 4.361 -42.153 -15.804 1.00 53.44 H new ATOM 0 HA PHE A 614 2.356 -42.134 -13.662 1.00 3.20 H new ATOM 0 HB2 PHE A 614 3.737 -42.988 -11.984 1.00 53.01 H new ATOM 0 HB3 PHE A 614 3.794 -44.169 -13.277 1.00 53.01 H new ATOM 0 HD1 PHE A 614 5.687 -41.552 -11.484 1.00 61.30 H new ATOM 0 HD2 PHE A 614 5.863 -44.580 -14.532 1.00 25.50 H new ATOM 0 HE1 PHE A 614 8.171 -41.441 -11.430 1.00 73.15 H new ATOM 0 HE2 PHE A 614 8.354 -44.480 -14.478 1.00 21.13 H new ATOM 0 HZ PHE A 614 9.502 -42.933 -12.902 1.00 62.22 H new ATOM 1344 N PHE A 615 3.794 -40.110 -12.706 1.00 61.11 N ATOM 1345 CA PHE A 615 4.374 -38.803 -12.450 1.00 72.45 C ATOM 1346 C PHE A 615 4.859 -38.813 -11.018 1.00 22.11 C ATOM 1347 O PHE A 615 4.567 -39.730 -10.288 1.00 52.13 O ATOM 1348 CB PHE A 615 3.363 -37.659 -12.656 1.00 10.41 C ATOM 1349 CG PHE A 615 1.941 -38.103 -12.925 1.00 5.42 C ATOM 1350 CD1 PHE A 615 1.593 -38.716 -14.142 1.00 13.22 C ATOM 1351 CD2 PHE A 615 0.932 -37.864 -11.974 1.00 73.44 C ATOM 1352 CE1 PHE A 615 0.269 -39.114 -14.398 1.00 3.20 C ATOM 1353 CE2 PHE A 615 -0.406 -38.261 -12.226 1.00 4.10 C ATOM 1354 CZ PHE A 615 -0.731 -38.891 -13.438 1.00 63.40 C ATOM 0 H PHE A 615 3.194 -40.453 -11.956 1.00 61.11 H new ATOM 0 HA PHE A 615 5.186 -38.622 -13.154 1.00 72.45 H new ATOM 0 HB2 PHE A 615 3.368 -37.025 -11.769 1.00 10.41 H new ATOM 0 HB3 PHE A 615 3.699 -37.043 -13.490 1.00 10.41 H new ATOM 0 HD1 PHE A 615 2.353 -38.883 -14.890 1.00 13.22 H new ATOM 0 HD2 PHE A 615 1.179 -37.374 -11.044 1.00 73.44 H new ATOM 0 HE1 PHE A 615 0.021 -39.592 -15.334 1.00 3.20 H new ATOM 0 HE2 PHE A 615 -1.173 -38.079 -11.488 1.00 4.10 H new ATOM 0 HZ PHE A 615 -1.747 -39.203 -13.631 1.00 63.40 H new ATOM 1364 N ILE A 616 5.584 -37.794 -10.592 1.00 23.02 N ATOM 1365 CA ILE A 616 5.988 -37.687 -9.195 1.00 74.21 C ATOM 1366 C ILE A 616 5.581 -36.295 -8.807 1.00 22.02 C ATOM 1367 O ILE A 616 5.986 -35.355 -9.459 1.00 43.24 O ATOM 1368 CB ILE A 616 7.529 -37.815 -9.009 1.00 73.24 C ATOM 1369 CG1 ILE A 616 8.109 -38.952 -9.869 1.00 73.33 C ATOM 1370 CG2 ILE A 616 7.869 -38.052 -7.526 1.00 74.30 C ATOM 1371 CD1 ILE A 616 9.605 -38.901 -9.957 1.00 30.23 C ATOM 0 H ILE A 616 5.905 -37.031 -11.187 1.00 23.02 H new ATOM 0 HA ILE A 616 5.535 -38.479 -8.599 1.00 74.21 H new ATOM 0 HB ILE A 616 7.981 -36.879 -9.338 1.00 73.24 H new ATOM 0 HG12 ILE A 616 7.806 -39.911 -9.449 1.00 73.33 H new ATOM 0 HG13 ILE A 616 7.687 -38.895 -10.873 1.00 73.33 H new ATOM 0 HG21 ILE A 616 8.949 -38.140 -7.410 1.00 74.30 H new ATOM 0 HG22 ILE A 616 7.507 -37.213 -6.931 1.00 74.30 H new ATOM 0 HG23 ILE A 616 7.392 -38.971 -7.186 1.00 74.30 H new ATOM 0 HD11 ILE A 616 9.961 -39.725 -10.575 1.00 30.23 H new ATOM 0 HD12 ILE A 616 9.911 -37.955 -10.403 1.00 30.23 H new ATOM 0 HD13 ILE A 616 10.031 -38.986 -8.957 1.00 30.23 H new ATOM 1383 N ALA A 617 4.769 -36.159 -7.777 1.00 12.13 N ATOM 1384 CA ALA A 617 4.325 -34.846 -7.319 1.00 0.01 C ATOM 1385 C ALA A 617 4.911 -34.649 -5.936 1.00 53.42 C ATOM 1386 O ALA A 617 5.159 -35.614 -5.201 1.00 42.22 O ATOM 1387 CB ALA A 617 2.788 -34.777 -7.276 1.00 62.33 C ATOM 0 H ALA A 617 4.399 -36.941 -7.236 1.00 12.13 H new ATOM 0 HA ALA A 617 4.658 -34.061 -7.998 1.00 0.01 H new ATOM 0 HB1 ALA A 617 2.478 -33.790 -6.932 1.00 62.33 H new ATOM 0 HB2 ALA A 617 2.388 -34.956 -8.274 1.00 62.33 H new ATOM 0 HB3 ALA A 617 2.409 -35.536 -6.591 1.00 62.33 H new ATOM 1393 N LEU A 618 5.125 -33.397 -5.587 1.00 71.23 N ATOM 1394 CA LEU A 618 5.643 -33.044 -4.280 1.00 5.21 C ATOM 1395 C LEU A 618 4.483 -32.921 -3.311 1.00 63.21 C ATOM 1396 O LEU A 618 3.380 -32.573 -3.710 1.00 2.43 O ATOM 1397 CB LEU A 618 6.398 -31.722 -4.379 1.00 25.03 C ATOM 1398 CG LEU A 618 7.615 -31.775 -5.317 1.00 12.01 C ATOM 1399 CD1 LEU A 618 8.115 -30.376 -5.565 1.00 1.22 C ATOM 1400 CD2 LEU A 618 8.713 -32.659 -4.741 1.00 4.21 C ATOM 0 H LEU A 618 4.946 -32.599 -6.197 1.00 71.23 H new ATOM 0 HA LEU A 618 6.328 -33.813 -3.922 1.00 5.21 H new ATOM 0 HB2 LEU A 618 5.714 -30.948 -4.729 1.00 25.03 H new ATOM 0 HB3 LEU A 618 6.730 -31.428 -3.383 1.00 25.03 H new ATOM 0 HG LEU A 618 7.314 -32.216 -6.267 1.00 12.01 H new ATOM 0 HD11 LEU A 618 8.978 -30.411 -6.230 1.00 1.22 H new ATOM 0 HD12 LEU A 618 7.325 -29.784 -6.027 1.00 1.22 H new ATOM 0 HD13 LEU A 618 8.404 -29.920 -4.618 1.00 1.22 H new ATOM 0 HD21 LEU A 618 9.561 -32.678 -5.425 1.00 4.21 H new ATOM 0 HD22 LEU A 618 9.033 -32.261 -3.778 1.00 4.21 H new ATOM 0 HD23 LEU A 618 8.332 -33.671 -4.607 1.00 4.21 H new ATOM 1412 N GLY A 619 4.747 -33.197 -2.041 1.00 71.32 N ATOM 1413 CA GLY A 619 3.726 -33.066 -1.014 1.00 12.44 C ATOM 1414 C GLY A 619 3.482 -31.600 -0.728 1.00 63.23 C ATOM 1415 O GLY A 619 2.619 -30.954 -1.304 1.00 33.04 O ATOM 0 H GLY A 619 5.655 -33.511 -1.700 1.00 71.32 H new ATOM 0 HA2 GLY A 619 2.802 -33.542 -1.342 1.00 12.44 H new ATOM 0 HA3 GLY A 619 4.042 -33.577 -0.105 1.00 12.44 H new ATOM 1419 N GLU A 620 4.323 -31.056 0.135 1.00 65.24 N ATOM 1420 CA GLU A 620 4.320 -29.631 0.413 1.00 65.51 C ATOM 1421 C GLU A 620 5.688 -29.312 1.001 1.00 43.35 C ATOM 1422 O GLU A 620 6.194 -30.036 1.861 1.00 74.45 O ATOM 1423 CB GLU A 620 3.183 -29.215 1.377 1.00 61.33 C ATOM 1424 CG GLU A 620 3.454 -29.434 2.872 1.00 10.42 C ATOM 1425 CD GLU A 620 2.426 -28.768 3.768 1.00 73.12 C ATOM 1426 OE1 GLU A 620 2.364 -27.512 3.764 1.00 41.44 O ATOM 1427 OE2 GLU A 620 1.765 -29.471 4.552 1.00 54.53 O ATOM 0 H GLU A 620 5.021 -31.585 0.658 1.00 65.24 H new ATOM 0 HA GLU A 620 4.135 -29.068 -0.502 1.00 65.51 H new ATOM 0 HB2 GLU A 620 2.967 -28.158 1.218 1.00 61.33 H new ATOM 0 HB3 GLU A 620 2.284 -29.768 1.106 1.00 61.33 H new ATOM 0 HG2 GLU A 620 3.469 -30.504 3.079 1.00 10.42 H new ATOM 0 HG3 GLU A 620 4.444 -29.048 3.116 1.00 10.42 H new ATOM 1434 N PRO A 621 6.334 -28.256 0.518 1.00 22.42 N ATOM 1435 CA PRO A 621 7.599 -27.916 1.160 1.00 10.14 C ATOM 1436 C PRO A 621 7.343 -27.363 2.570 1.00 2.43 C ATOM 1437 O PRO A 621 6.370 -26.637 2.801 1.00 31.23 O ATOM 1438 CB PRO A 621 8.176 -26.872 0.208 1.00 40.03 C ATOM 1439 CG PRO A 621 6.967 -26.226 -0.391 1.00 71.30 C ATOM 1440 CD PRO A 621 6.008 -27.335 -0.580 1.00 53.10 C ATOM 0 HA PRO A 621 8.278 -28.755 1.311 1.00 10.14 H new ATOM 0 HB2 PRO A 621 8.796 -26.148 0.737 1.00 40.03 H new ATOM 0 HB3 PRO A 621 8.804 -27.331 -0.556 1.00 40.03 H new ATOM 0 HG2 PRO A 621 6.561 -25.458 0.267 1.00 71.30 H new ATOM 0 HG3 PRO A 621 7.204 -25.741 -1.338 1.00 71.30 H new ATOM 0 HD2 PRO A 621 4.976 -26.989 -0.521 1.00 53.10 H new ATOM 0 HD3 PRO A 621 6.130 -27.810 -1.553 1.00 53.10 H new ATOM 1448 N LYS A 622 8.199 -27.723 3.518 1.00 52.25 N ATOM 1449 CA LYS A 622 8.055 -27.290 4.913 1.00 10.00 C ATOM 1450 C LYS A 622 9.383 -26.715 5.361 1.00 33.34 C ATOM 1451 O LYS A 622 10.415 -27.284 5.096 1.00 14.22 O ATOM 1452 CB LYS A 622 7.668 -28.469 5.826 1.00 51.12 C ATOM 1453 CG LYS A 622 7.221 -29.738 5.089 1.00 41.22 C ATOM 1454 CD LYS A 622 6.861 -30.848 6.061 1.00 74.15 C ATOM 1455 CE LYS A 622 6.927 -32.202 5.366 1.00 65.11 C ATOM 1456 NZ LYS A 622 6.602 -33.327 6.299 1.00 33.31 N ATOM 0 H LYS A 622 9.009 -28.319 3.349 1.00 52.25 H new ATOM 0 HA LYS A 622 7.263 -26.545 4.981 1.00 10.00 H new ATOM 0 HB2 LYS A 622 8.521 -28.715 6.458 1.00 51.12 H new ATOM 0 HB3 LYS A 622 6.863 -28.148 6.488 1.00 51.12 H new ATOM 0 HG2 LYS A 622 6.361 -29.511 4.460 1.00 41.22 H new ATOM 0 HG3 LYS A 622 8.019 -30.076 4.428 1.00 41.22 H new ATOM 0 HD2 LYS A 622 7.545 -30.834 6.910 1.00 74.15 H new ATOM 0 HD3 LYS A 622 5.859 -30.683 6.457 1.00 74.15 H new ATOM 0 HE2 LYS A 622 6.231 -32.214 4.527 1.00 65.11 H new ATOM 0 HE3 LYS A 622 7.925 -32.350 4.954 1.00 65.11 H new ATOM 0 HZ1 LYS A 622 7.300 -34.089 6.181 1.00 33.31 H new ATOM 0 HZ2 LYS A 622 6.628 -32.983 7.280 1.00 33.31 H new ATOM 0 HZ3 LYS A 622 5.652 -33.692 6.085 1.00 33.31 H new ATOM 1470 N TRP A 623 9.366 -25.596 6.051 1.00 53.50 N ATOM 1471 CA TRP A 623 10.603 -24.917 6.438 1.00 54.52 C ATOM 1472 C TRP A 623 11.124 -25.548 7.687 1.00 13.50 C ATOM 1473 O TRP A 623 10.559 -25.343 8.763 1.00 10.11 O ATOM 1474 CB TRP A 623 10.277 -23.466 6.738 1.00 43.32 C ATOM 1475 CG TRP A 623 11.371 -22.522 6.508 1.00 64.24 C ATOM 1476 CD1 TRP A 623 12.601 -22.743 5.980 1.00 64.31 C ATOM 1477 CD2 TRP A 623 11.337 -21.145 6.832 1.00 30.52 C ATOM 1478 NE1 TRP A 623 13.316 -21.586 5.890 1.00 11.23 N ATOM 1479 CE2 TRP A 623 12.565 -20.570 6.398 1.00 71.20 C ATOM 1480 CE3 TRP A 623 10.411 -20.344 7.500 1.00 61.51 C ATOM 1481 CZ2 TRP A 623 12.853 -19.207 6.562 1.00 22.31 C ATOM 1482 CZ3 TRP A 623 10.694 -19.022 7.720 1.00 1.21 C ATOM 1483 CH2 TRP A 623 11.908 -18.425 7.213 1.00 41.14 C ATOM 0 H TRP A 623 8.513 -25.129 6.360 1.00 53.50 H new ATOM 0 HA TRP A 623 11.341 -24.989 5.639 1.00 54.52 H new ATOM 0 HB2 TRP A 623 9.426 -23.167 6.126 1.00 43.32 H new ATOM 0 HB3 TRP A 623 9.964 -23.388 7.779 1.00 43.32 H new ATOM 0 HD1 TRP A 623 12.967 -23.711 5.671 1.00 64.31 H new ATOM 0 HE1 TRP A 623 14.257 -21.496 5.506 1.00 11.23 H new ATOM 0 HE3 TRP A 623 9.476 -20.764 7.842 1.00 61.51 H new ATOM 0 HZ2 TRP A 623 13.776 -18.782 6.196 1.00 22.31 H new ATOM 0 HZ3 TRP A 623 9.998 -18.416 8.282 1.00 1.21 H new ATOM 0 HH2 TRP A 623 12.081 -17.367 7.341 1.00 41.14 H new ATOM 1494 N MET A 624 12.225 -26.278 7.597 1.00 63.20 N ATOM 1495 CA MET A 624 12.871 -26.593 8.829 1.00 72.44 C ATOM 1496 C MET A 624 14.311 -26.152 8.895 1.00 41.52 C ATOM 1497 O MET A 624 15.261 -26.907 9.088 1.00 34.33 O ATOM 1498 CB MET A 624 13.073 -28.056 8.684 1.00 73.30 C ATOM 1499 CG MET A 624 11.888 -28.934 8.327 1.00 2.41 C ATOM 1500 SD MET A 624 10.742 -29.202 9.656 1.00 62.13 S ATOM 1501 CE MET A 624 9.937 -30.627 8.986 1.00 13.02 C ATOM 0 H MET A 624 12.654 -26.635 6.743 1.00 63.20 H new ATOM 0 HA MET A 624 12.298 -26.169 9.653 1.00 72.44 H new ATOM 0 HB2 MET A 624 13.836 -28.208 7.921 1.00 73.30 H new ATOM 0 HB3 MET A 624 13.484 -28.425 9.624 1.00 73.30 H new ATOM 0 HG2 MET A 624 11.355 -28.481 7.491 1.00 2.41 H new ATOM 0 HG3 MET A 624 12.258 -29.900 7.983 1.00 2.41 H new ATOM 0 HE1 MET A 624 9.085 -30.892 9.613 1.00 13.02 H new ATOM 0 HE2 MET A 624 9.590 -30.408 7.976 1.00 13.02 H new ATOM 0 HE3 MET A 624 10.639 -31.461 8.956 1.00 13.02 H new ATOM 1511 N GLU A 625 14.357 -24.904 9.188 1.00 22.24 N ATOM 1512 CA GLU A 625 15.344 -24.231 9.968 1.00 4.41 C ATOM 1513 C GLU A 625 14.547 -23.084 10.510 1.00 0.42 C ATOM 1514 O GLU A 625 14.902 -22.074 10.065 1.00 64.32 O ATOM 1515 CB GLU A 625 16.314 -23.731 8.888 1.00 72.10 C ATOM 1516 CG GLU A 625 17.458 -22.784 9.248 1.00 64.01 C ATOM 1517 CD GLU A 625 18.820 -23.329 8.826 1.00 30.21 C ATOM 1518 OE1 GLU A 625 19.057 -23.458 7.600 1.00 1.42 O ATOM 1519 OE2 GLU A 625 19.642 -23.668 9.696 1.00 35.40 O ATOM 0 H GLU A 625 13.637 -24.261 8.858 1.00 22.24 H new ATOM 0 HA GLU A 625 15.867 -24.778 10.753 1.00 4.41 H new ATOM 0 HB2 GLU A 625 16.759 -24.611 8.424 1.00 72.10 H new ATOM 0 HB3 GLU A 625 15.716 -23.236 8.123 1.00 72.10 H new ATOM 0 HG2 GLU A 625 17.292 -21.819 8.769 1.00 64.01 H new ATOM 0 HG3 GLU A 625 17.457 -22.610 10.324 1.00 64.01 H new ATOM 1526 N ARG A 626 13.827 -23.050 11.620 1.00 43.33 N ATOM 1527 CA ARG A 626 13.103 -21.785 12.050 1.00 21.30 C ATOM 1528 C ARG A 626 12.139 -22.104 13.172 1.00 1.24 C ATOM 1529 O ARG A 626 12.127 -21.423 14.182 1.00 30.31 O ATOM 1530 CB ARG A 626 12.233 -20.971 10.947 1.00 34.41 C ATOM 1531 CG ARG A 626 12.938 -20.295 9.780 1.00 50.05 C ATOM 1532 CD ARG A 626 14.016 -19.254 10.182 1.00 72.13 C ATOM 1533 NE ARG A 626 13.431 -18.054 10.819 1.00 12.23 N ATOM 1534 CZ ARG A 626 13.471 -17.762 12.117 1.00 5.01 C ATOM 1535 NH1 ARG A 626 14.053 -18.535 12.998 1.00 22.45 N ATOM 1536 NH2 ARG A 626 12.922 -16.662 12.536 1.00 74.10 N ATOM 0 H ARG A 626 13.707 -23.843 12.250 1.00 43.33 H new ATOM 0 HA ARG A 626 13.938 -21.136 12.315 1.00 21.30 H new ATOM 0 HB2 ARG A 626 11.505 -21.666 10.529 1.00 34.41 H new ATOM 0 HB3 ARG A 626 11.672 -20.202 11.478 1.00 34.41 H new ATOM 0 HG2 ARG A 626 13.407 -21.062 9.164 1.00 50.05 H new ATOM 0 HG3 ARG A 626 12.190 -19.801 9.160 1.00 50.05 H new ATOM 0 HD2 ARG A 626 14.726 -19.716 10.868 1.00 72.13 H new ATOM 0 HD3 ARG A 626 14.577 -18.955 9.296 1.00 72.13 H new ATOM 0 HE ARG A 626 12.954 -17.391 10.209 1.00 12.23 H new ATOM 0 HH11 ARG A 626 14.501 -19.402 12.699 1.00 22.45 H new ATOM 0 HH12 ARG A 626 14.059 -18.271 13.983 1.00 22.45 H new ATOM 0 HH21 ARG A 626 12.467 -16.034 11.873 1.00 74.10 H new ATOM 0 HH22 ARG A 626 12.945 -16.426 13.528 1.00 74.10 H new ATOM 1916 N GLY A 650 7.390 -17.561 6.717 1.00 31.21 N ATOM 1917 CA GLY A 650 8.236 -17.943 5.600 1.00 53.02 C ATOM 1918 C GLY A 650 7.785 -19.155 4.821 1.00 3.11 C ATOM 1919 O GLY A 650 8.614 -19.793 4.190 1.00 0.02 O ATOM 0 HA2 GLY A 650 8.304 -17.098 4.915 1.00 53.02 H new ATOM 0 HA3 GLY A 650 9.242 -18.130 5.977 1.00 53.02 H new ATOM 1923 N LYS A 651 6.509 -19.517 4.897 1.00 73.05 N ATOM 1924 CA LYS A 651 6.048 -20.796 4.359 1.00 41.42 C ATOM 1925 C LYS A 651 6.336 -20.945 2.862 1.00 45.01 C ATOM 1926 O LYS A 651 5.800 -20.205 2.043 1.00 34.33 O ATOM 1927 CB LYS A 651 4.536 -20.937 4.583 1.00 72.45 C ATOM 1928 CG LYS A 651 4.157 -22.025 5.588 1.00 22.31 C ATOM 1929 CD LYS A 651 3.475 -23.243 4.908 1.00 53.52 C ATOM 1930 CE LYS A 651 4.481 -24.138 4.171 1.00 2.22 C ATOM 1931 NZ LYS A 651 3.835 -25.193 3.313 1.00 54.30 N ATOM 0 H LYS A 651 5.777 -18.948 5.323 1.00 73.05 H new ATOM 0 HA LYS A 651 6.596 -21.576 4.887 1.00 41.42 H new ATOM 0 HB2 LYS A 651 4.139 -19.983 4.929 1.00 72.45 H new ATOM 0 HB3 LYS A 651 4.056 -21.154 3.629 1.00 72.45 H new ATOM 0 HG2 LYS A 651 5.052 -22.359 6.113 1.00 22.31 H new ATOM 0 HG3 LYS A 651 3.485 -21.606 6.337 1.00 22.31 H new ATOM 0 HD2 LYS A 651 2.953 -23.832 5.662 1.00 53.52 H new ATOM 0 HD3 LYS A 651 2.723 -22.889 4.203 1.00 53.52 H new ATOM 0 HE2 LYS A 651 5.119 -23.514 3.546 1.00 2.22 H new ATOM 0 HE3 LYS A 651 5.127 -24.623 4.903 1.00 2.22 H new ATOM 0 HZ1 LYS A 651 4.571 -25.781 2.873 1.00 54.30 H new ATOM 0 HZ2 LYS A 651 3.220 -25.791 3.902 1.00 54.30 H new ATOM 0 HZ3 LYS A 651 3.266 -24.737 2.571 1.00 54.30 H new ATOM 1945 N PRO A 652 7.185 -21.926 2.496 1.00 53.22 N ATOM 1946 CA PRO A 652 7.399 -22.140 1.066 1.00 42.51 C ATOM 1947 C PRO A 652 6.162 -22.720 0.414 1.00 63.14 C ATOM 1948 O PRO A 652 5.318 -23.336 1.075 1.00 3.11 O ATOM 1949 CB PRO A 652 8.547 -23.146 1.030 1.00 53.21 C ATOM 1950 CG PRO A 652 8.420 -23.877 2.299 1.00 53.40 C ATOM 1951 CD PRO A 652 7.970 -22.886 3.297 1.00 2.34 C ATOM 0 HA PRO A 652 7.617 -21.218 0.527 1.00 42.51 H new ATOM 0 HB2 PRO A 652 8.464 -23.815 0.174 1.00 53.21 H new ATOM 0 HB3 PRO A 652 9.513 -22.647 0.952 1.00 53.21 H new ATOM 0 HG2 PRO A 652 7.703 -24.693 2.209 1.00 53.40 H new ATOM 0 HG3 PRO A 652 9.372 -24.320 2.591 1.00 53.40 H new ATOM 0 HD2 PRO A 652 7.365 -23.348 4.077 1.00 2.34 H new ATOM 0 HD3 PRO A 652 8.813 -22.402 3.791 1.00 2.34 H new ATOM 1959 N VAL A 653 6.069 -22.531 -0.888 1.00 53.33 N ATOM 1960 CA VAL A 653 4.936 -23.030 -1.671 1.00 2.11 C ATOM 1961 C VAL A 653 5.442 -23.733 -2.929 1.00 0.33 C ATOM 1962 O VAL A 653 6.636 -23.695 -3.240 1.00 70.52 O ATOM 1963 CB VAL A 653 3.929 -21.884 -2.045 1.00 53.33 C ATOM 1964 CG1 VAL A 653 3.332 -21.258 -0.774 1.00 11.44 C ATOM 1965 CG2 VAL A 653 4.595 -20.801 -2.891 1.00 62.21 C ATOM 0 H VAL A 653 6.768 -22.031 -1.438 1.00 53.33 H new ATOM 0 HA VAL A 653 4.393 -23.745 -1.053 1.00 2.11 H new ATOM 0 HB VAL A 653 3.131 -22.332 -2.637 1.00 53.33 H new ATOM 0 HG11 VAL A 653 2.636 -20.466 -1.051 1.00 11.44 H new ATOM 0 HG12 VAL A 653 2.803 -22.023 -0.206 1.00 11.44 H new ATOM 0 HG13 VAL A 653 4.133 -20.841 -0.163 1.00 11.44 H new ATOM 0 HG21 VAL A 653 3.866 -20.026 -3.129 1.00 62.21 H new ATOM 0 HG22 VAL A 653 5.423 -20.362 -2.334 1.00 62.21 H new ATOM 0 HG23 VAL A 653 4.972 -21.241 -3.814 1.00 62.21 H new ATOM 1975 N LEU A 654 4.540 -24.408 -3.619 1.00 52.13 N ATOM 1976 CA LEU A 654 4.876 -25.154 -4.826 1.00 25.03 C ATOM 1977 C LEU A 654 4.945 -24.201 -6.020 1.00 22.25 C ATOM 1978 O LEU A 654 4.415 -23.094 -5.971 1.00 63.11 O ATOM 1979 CB LEU A 654 3.813 -26.237 -5.100 1.00 12.32 C ATOM 1980 CG LEU A 654 3.675 -27.456 -4.155 1.00 61.14 C ATOM 1981 CD1 LEU A 654 5.019 -28.154 -3.964 1.00 41.25 C ATOM 1982 CD2 LEU A 654 3.056 -27.112 -2.798 1.00 11.33 C ATOM 0 H LEU A 654 3.554 -24.457 -3.362 1.00 52.13 H new ATOM 0 HA LEU A 654 5.844 -25.633 -4.681 1.00 25.03 H new ATOM 0 HB2 LEU A 654 2.844 -25.738 -5.126 1.00 12.32 H new ATOM 0 HB3 LEU A 654 3.999 -26.625 -6.101 1.00 12.32 H new ATOM 0 HG LEU A 654 2.981 -28.137 -4.648 1.00 61.14 H new ATOM 0 HD11 LEU A 654 4.895 -29.006 -3.296 1.00 41.25 H new ATOM 0 HD12 LEU A 654 5.390 -28.500 -4.929 1.00 41.25 H new ATOM 0 HD13 LEU A 654 5.734 -27.455 -3.530 1.00 41.25 H new ATOM 0 HD21 LEU A 654 2.990 -28.014 -2.189 1.00 11.33 H new ATOM 0 HD22 LEU A 654 3.679 -26.376 -2.290 1.00 11.33 H new ATOM 0 HD23 LEU A 654 2.057 -26.701 -2.947 1.00 11.33 H new ATOM 1994 N GLY A 655 5.603 -24.648 -7.080 1.00 11.14 N ATOM 1995 CA GLY A 655 5.717 -23.868 -8.299 1.00 54.50 C ATOM 1996 C GLY A 655 4.625 -24.155 -9.283 1.00 35.24 C ATOM 1997 O GLY A 655 3.573 -24.686 -8.962 1.00 51.21 O ATOM 0 H GLY A 655 6.069 -25.555 -7.118 1.00 11.14 H new ATOM 0 HA2 GLY A 655 5.702 -22.807 -8.048 1.00 54.50 H new ATOM 0 HA3 GLY A 655 6.681 -24.072 -8.765 1.00 54.50 H new ATOM 2001 N GLU A 656 4.928 -23.815 -10.519 1.00 13.20 N ATOM 2002 CA GLU A 656 4.009 -24.024 -11.627 1.00 3.10 C ATOM 2003 C GLU A 656 4.107 -25.478 -12.094 1.00 75.45 C ATOM 2004 O GLU A 656 3.143 -26.043 -12.594 1.00 54.22 O ATOM 2005 CB GLU A 656 4.371 -23.045 -12.749 1.00 60.21 C ATOM 2006 CG GLU A 656 3.335 -22.917 -13.853 1.00 33.13 C ATOM 2007 CD GLU A 656 3.780 -21.928 -14.919 1.00 5.04 C ATOM 2008 OE1 GLU A 656 3.551 -20.716 -14.740 1.00 11.14 O ATOM 2009 OE2 GLU A 656 4.425 -22.361 -15.905 1.00 62.21 O ATOM 0 H GLU A 656 5.814 -23.387 -10.787 1.00 13.20 H new ATOM 0 HA GLU A 656 2.979 -23.839 -11.322 1.00 3.10 H new ATOM 0 HB2 GLU A 656 4.536 -22.060 -12.311 1.00 60.21 H new ATOM 0 HB3 GLU A 656 5.316 -23.359 -13.193 1.00 60.21 H new ATOM 0 HG2 GLU A 656 3.164 -23.892 -14.308 1.00 33.13 H new ATOM 0 HG3 GLU A 656 2.385 -22.593 -13.427 1.00 33.13 H new ATOM 2016 N HIS A 657 5.273 -26.092 -11.891 1.00 52.33 N ATOM 2017 CA HIS A 657 5.498 -27.494 -12.282 1.00 33.44 C ATOM 2018 C HIS A 657 6.165 -28.361 -11.214 1.00 34.45 C ATOM 2019 O HIS A 657 7.247 -28.873 -11.429 1.00 11.42 O ATOM 2020 CB HIS A 657 6.358 -27.526 -13.542 1.00 43.33 C ATOM 2021 CG HIS A 657 5.836 -26.637 -14.617 1.00 22.22 C ATOM 2022 ND1 HIS A 657 4.913 -27.050 -15.574 1.00 51.43 N ATOM 2023 CD2 HIS A 657 6.042 -25.323 -14.873 1.00 22.04 C ATOM 2024 CE1 HIS A 657 4.614 -26.015 -16.351 1.00 15.12 C ATOM 2025 NE2 HIS A 657 5.283 -24.970 -15.943 1.00 50.41 N ATOM 0 H HIS A 657 6.081 -25.644 -11.458 1.00 52.33 H new ATOM 0 HA HIS A 657 4.508 -27.919 -12.444 1.00 33.44 H new ATOM 0 HB2 HIS A 657 7.375 -27.226 -13.290 1.00 43.33 H new ATOM 0 HB3 HIS A 657 6.410 -28.549 -13.915 1.00 43.33 H new ATOM 0 HD1 HIS A 657 4.530 -27.991 -15.664 1.00 51.43 H new ATOM 0 HD2 HIS A 657 6.698 -24.667 -14.320 1.00 22.04 H new ATOM 0 HE1 HIS A 657 3.928 -26.034 -17.185 1.00 15.12 H new ATOM 0 HE2 HIS A 657 5.242 -24.040 -16.360 1.00 50.41 H new ATOM 2033 N PRO A 658 5.538 -28.540 -10.040 1.00 1.30 N ATOM 2034 CA PRO A 658 6.100 -29.383 -8.973 1.00 44.02 C ATOM 2035 C PRO A 658 5.924 -30.885 -9.234 1.00 32.23 C ATOM 2036 O PRO A 658 5.707 -31.673 -8.306 1.00 62.23 O ATOM 2037 CB PRO A 658 5.287 -28.945 -7.762 1.00 70.33 C ATOM 2038 CG PRO A 658 3.962 -28.646 -8.327 1.00 22.21 C ATOM 2039 CD PRO A 658 4.267 -27.936 -9.609 1.00 40.21 C ATOM 0 HA PRO A 658 7.178 -29.259 -8.868 1.00 44.02 H new ATOM 0 HB2 PRO A 658 5.234 -29.731 -7.009 1.00 70.33 H new ATOM 0 HB3 PRO A 658 5.724 -28.071 -7.280 1.00 70.33 H new ATOM 0 HG2 PRO A 658 3.388 -29.556 -8.501 1.00 22.21 H new ATOM 0 HG3 PRO A 658 3.373 -28.022 -7.655 1.00 22.21 H new ATOM 0 HD2 PRO A 658 3.480 -28.086 -10.348 1.00 40.21 H new ATOM 0 HD3 PRO A 658 4.364 -26.861 -9.460 1.00 40.21 H new ATOM 2047 N LYS A 659 5.943 -31.251 -10.503 1.00 75.24 N ATOM 2048 CA LYS A 659 5.678 -32.606 -10.948 1.00 42.13 C ATOM 2049 C LYS A 659 6.296 -32.816 -12.321 1.00 74.35 C ATOM 2050 O LYS A 659 6.434 -31.867 -13.077 1.00 21.20 O ATOM 2051 CB LYS A 659 4.170 -32.811 -11.016 1.00 33.03 C ATOM 2052 CG LYS A 659 3.729 -34.124 -11.661 1.00 43.23 C ATOM 2053 CD LYS A 659 2.267 -34.408 -11.457 1.00 43.14 C ATOM 2054 CE LYS A 659 1.411 -33.279 -11.923 1.00 0.14 C ATOM 2055 NZ LYS A 659 1.618 -32.959 -13.412 1.00 45.05 N ATOM 0 H LYS A 659 6.146 -30.604 -11.265 1.00 75.24 H new ATOM 0 HA LYS A 659 6.113 -33.324 -10.252 1.00 42.13 H new ATOM 0 HB2 LYS A 659 3.766 -32.766 -10.005 1.00 33.03 H new ATOM 0 HB3 LYS A 659 3.730 -31.984 -11.573 1.00 33.03 H new ATOM 0 HG2 LYS A 659 3.943 -34.089 -12.729 1.00 43.23 H new ATOM 0 HG3 LYS A 659 4.316 -34.943 -11.245 1.00 43.23 H new ATOM 0 HD2 LYS A 659 1.995 -35.316 -11.995 1.00 43.14 H new ATOM 0 HD3 LYS A 659 2.077 -34.595 -10.400 1.00 43.14 H new ATOM 0 HE2 LYS A 659 0.364 -33.526 -11.750 1.00 0.14 H new ATOM 0 HE3 LYS A 659 1.631 -32.391 -11.330 1.00 0.14 H new ATOM 0 HZ1 LYS A 659 0.898 -32.276 -13.724 1.00 45.05 H new ATOM 0 HZ2 LYS A 659 2.565 -32.552 -13.551 1.00 45.05 H new ATOM 0 HZ3 LYS A 659 1.531 -33.832 -13.970 1.00 45.05 H new ATOM 2069 N LEU A 660 6.643 -34.062 -12.622 1.00 14.42 N ATOM 2070 CA LEU A 660 7.131 -34.469 -13.936 1.00 31.02 C ATOM 2071 C LEU A 660 6.393 -35.740 -14.326 1.00 62.41 C ATOM 2072 O LEU A 660 6.435 -36.708 -13.579 1.00 34.02 O ATOM 2073 CB LEU A 660 8.638 -34.748 -13.879 1.00 12.32 C ATOM 2074 CG LEU A 660 9.269 -35.364 -15.130 1.00 40.21 C ATOM 2075 CD1 LEU A 660 8.911 -34.532 -16.332 1.00 13.00 C ATOM 2076 CD2 LEU A 660 10.797 -35.494 -14.993 1.00 20.14 C ATOM 0 H LEU A 660 6.593 -34.829 -11.952 1.00 14.42 H new ATOM 0 HA LEU A 660 6.957 -33.678 -14.665 1.00 31.02 H new ATOM 0 HB2 LEU A 660 9.150 -33.810 -13.666 1.00 12.32 H new ATOM 0 HB3 LEU A 660 8.830 -35.414 -13.038 1.00 12.32 H new ATOM 0 HG LEU A 660 8.873 -36.372 -15.255 1.00 40.21 H new ATOM 0 HD11 LEU A 660 9.360 -34.969 -17.224 1.00 13.00 H new ATOM 0 HD12 LEU A 660 7.827 -34.506 -16.447 1.00 13.00 H new ATOM 0 HD13 LEU A 660 9.286 -33.518 -16.197 1.00 13.00 H new ATOM 0 HD21 LEU A 660 11.207 -35.935 -15.901 1.00 20.14 H new ATOM 0 HD22 LEU A 660 11.234 -34.507 -14.840 1.00 20.14 H new ATOM 0 HD23 LEU A 660 11.033 -36.132 -14.141 1.00 20.14 H new ATOM 2088 N GLU A 661 5.734 -35.735 -15.478 1.00 52.41 N ATOM 2089 CA GLU A 661 5.074 -36.924 -16.019 1.00 73.35 C ATOM 2090 C GLU A 661 6.049 -37.700 -16.881 1.00 60.41 C ATOM 2091 O GLU A 661 6.672 -37.137 -17.765 1.00 11.04 O ATOM 2092 CB GLU A 661 3.874 -36.524 -16.872 1.00 54.21 C ATOM 2093 CG GLU A 661 3.169 -37.699 -17.484 1.00 50.24 C ATOM 2094 CD GLU A 661 1.802 -37.317 -18.016 1.00 22.02 C ATOM 2095 OE1 GLU A 661 1.731 -36.708 -19.104 1.00 4.54 O ATOM 2096 OE2 GLU A 661 0.799 -37.584 -17.320 1.00 44.01 O ATOM 0 H GLU A 661 5.640 -34.907 -16.067 1.00 52.41 H new ATOM 0 HA GLU A 661 4.736 -37.541 -15.187 1.00 73.35 H new ATOM 0 HB2 GLU A 661 3.169 -35.965 -16.257 1.00 54.21 H new ATOM 0 HB3 GLU A 661 4.207 -35.854 -17.665 1.00 54.21 H new ATOM 0 HG2 GLU A 661 3.774 -38.105 -18.294 1.00 50.24 H new ATOM 0 HG3 GLU A 661 3.062 -38.488 -16.739 1.00 50.24 H new ATOM 2103 N VAL A 662 6.181 -38.983 -16.605 1.00 74.34 N ATOM 2104 CA VAL A 662 7.130 -39.867 -17.273 1.00 50.55 C ATOM 2105 C VAL A 662 6.342 -40.954 -17.962 1.00 3.04 C ATOM 2106 O VAL A 662 5.447 -41.556 -17.378 1.00 25.33 O ATOM 2107 CB VAL A 662 8.092 -40.531 -16.241 1.00 54.41 C ATOM 2108 CG1 VAL A 662 9.322 -41.158 -16.850 1.00 64.41 C ATOM 2109 CG2 VAL A 662 8.335 -39.662 -14.989 1.00 3.34 C ATOM 0 H VAL A 662 5.621 -39.455 -15.895 1.00 74.34 H new ATOM 0 HA VAL A 662 7.724 -39.290 -17.982 1.00 50.55 H new ATOM 0 HB VAL A 662 7.554 -41.398 -15.857 1.00 54.41 H new ATOM 0 HG11 VAL A 662 9.935 -41.596 -16.062 1.00 64.41 H new ATOM 0 HG12 VAL A 662 9.024 -41.936 -17.553 1.00 64.41 H new ATOM 0 HG13 VAL A 662 9.897 -40.395 -17.375 1.00 64.41 H new ATOM 0 HG21 VAL A 662 9.013 -40.181 -14.311 1.00 3.34 H new ATOM 0 HG22 VAL A 662 8.777 -38.711 -15.286 1.00 3.34 H new ATOM 0 HG23 VAL A 662 7.387 -39.479 -14.484 1.00 3.34 H new ATOM 2119 N ILE A 663 6.694 -41.205 -19.209 1.00 50.20 N ATOM 2120 CA ILE A 663 6.095 -42.267 -19.997 1.00 73.35 C ATOM 2121 C ILE A 663 7.213 -43.269 -20.182 1.00 63.21 C ATOM 2122 O ILE A 663 8.337 -42.885 -20.517 1.00 72.22 O ATOM 2123 CB ILE A 663 5.621 -41.749 -21.383 1.00 53.40 C ATOM 2124 CG1 ILE A 663 4.448 -40.748 -21.217 1.00 64.41 C ATOM 2125 CG2 ILE A 663 5.273 -42.931 -22.322 1.00 70.11 C ATOM 2126 CD1 ILE A 663 3.046 -41.291 -21.592 1.00 1.50 C ATOM 0 H ILE A 663 7.408 -40.674 -19.707 1.00 50.20 H new ATOM 0 HA ILE A 663 5.216 -42.685 -19.507 1.00 73.35 H new ATOM 0 HB ILE A 663 6.437 -41.204 -21.858 1.00 53.40 H new ATOM 0 HG12 ILE A 663 4.423 -40.414 -20.180 1.00 64.41 H new ATOM 0 HG13 ILE A 663 4.654 -39.870 -21.830 1.00 64.41 H new ATOM 0 HG21 ILE A 663 4.944 -42.545 -23.287 1.00 70.11 H new ATOM 0 HG22 ILE A 663 6.155 -43.555 -22.463 1.00 70.11 H new ATOM 0 HG23 ILE A 663 4.475 -43.526 -21.878 1.00 70.11 H new ATOM 0 HD11 ILE A 663 2.301 -40.511 -21.439 1.00 1.50 H new ATOM 0 HD12 ILE A 663 3.042 -41.596 -22.638 1.00 1.50 H new ATOM 0 HD13 ILE A 663 2.808 -42.149 -20.963 1.00 1.50 H new ATOM 2138 N ILE A 664 6.931 -44.533 -19.956 1.00 13.35 N ATOM 2139 CA ILE A 664 7.916 -45.581 -20.177 1.00 43.52 C ATOM 2140 C ILE A 664 7.709 -46.044 -21.625 1.00 22.02 C ATOM 2141 O ILE A 664 6.649 -46.538 -21.989 1.00 44.31 O ATOM 2142 CB ILE A 664 7.783 -46.696 -19.114 1.00 33.03 C ATOM 2143 CG1 ILE A 664 8.090 -46.080 -17.724 1.00 63.41 C ATOM 2144 CG2 ILE A 664 8.757 -47.859 -19.416 1.00 42.02 C ATOM 2145 CD1 ILE A 664 7.648 -46.888 -16.528 1.00 12.31 C ATOM 0 H ILE A 664 6.028 -44.865 -19.619 1.00 13.35 H new ATOM 0 HA ILE A 664 8.943 -45.235 -20.058 1.00 43.52 H new ATOM 0 HB ILE A 664 6.771 -47.102 -19.129 1.00 33.03 H new ATOM 0 HG12 ILE A 664 9.165 -45.918 -17.650 1.00 63.41 H new ATOM 0 HG13 ILE A 664 7.616 -45.100 -17.670 1.00 63.41 H new ATOM 0 HG21 ILE A 664 8.647 -48.632 -18.656 1.00 42.02 H new ATOM 0 HG22 ILE A 664 8.530 -48.278 -20.396 1.00 42.02 H new ATOM 0 HG23 ILE A 664 9.781 -47.487 -19.409 1.00 42.02 H new ATOM 0 HD11 ILE A 664 7.915 -46.359 -15.613 1.00 12.31 H new ATOM 0 HD12 ILE A 664 6.568 -47.029 -16.563 1.00 12.31 H new ATOM 0 HD13 ILE A 664 8.142 -47.860 -16.543 1.00 12.31 H new