USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 564 HIS : no HD1:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Set 1.2: A 590 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0722) USER MOD Single : A 542 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=0) USER MOD Single : A 543 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 548 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 554 TYR OH : rot 180:sc= 0 USER MOD Single : A 555 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 556 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 558 CYS SG : rot 62:sc= 0.146 USER MOD Single : A 570 MET CE :methyl -119:sc= -3.58! (180deg=-10!) USER MOD Single : A 575 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 580 GLN : amide:sc= -0.654 K(o=-0.65,f=-0.042) USER MOD Single : A 581 GLN : amide:sc= -1.68 K(o=-1.7,f=-3.6!) USER MOD Single : A 588 SER OG : rot 180:sc= 0 USER MOD Single : A 589 TYR OH : rot 180:sc= 0 USER MOD Single : A 591 SER OG : rot 180:sc= 0 USER MOD Single : A 592 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0037) USER MOD Single : A 593 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.00027) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 540 -9.638 16.039 -11.399 1.00 45.13 N ATOM 2 CA GLY A 540 -8.816 17.204 -11.668 1.00 43.11 C ATOM 3 C GLY A 540 -8.194 17.778 -10.410 1.00 52.31 C ATOM 4 O GLY A 540 -8.553 18.865 -9.956 1.00 62.30 O ATOM 0 HA2 GLY A 540 -8.026 16.934 -12.369 1.00 43.11 H new ATOM 0 HA3 GLY A 540 -9.423 17.969 -12.151 1.00 43.11 H new ATOM 8 N PRO A 541 -7.241 17.039 -9.825 1.00 72.35 N ATOM 9 CA PRO A 541 -6.550 17.460 -8.604 1.00 71.11 C ATOM 10 C PRO A 541 -5.621 18.645 -8.843 1.00 64.42 C ATOM 11 O PRO A 541 -5.286 18.964 -9.984 1.00 63.34 O ATOM 12 CB PRO A 541 -5.744 16.221 -8.206 1.00 61.34 C ATOM 13 CG PRO A 541 -5.537 15.478 -9.481 1.00 13.24 C ATOM 14 CD PRO A 541 -6.764 15.733 -10.312 1.00 40.13 C ATOM 0 HA PRO A 541 -7.248 17.796 -7.837 1.00 71.11 H new ATOM 0 HB2 PRO A 541 -4.793 16.497 -7.750 1.00 61.34 H new ATOM 0 HB3 PRO A 541 -6.283 15.615 -7.478 1.00 61.34 H new ATOM 0 HG2 PRO A 541 -4.640 15.825 -9.993 1.00 13.24 H new ATOM 0 HG3 PRO A 541 -5.406 14.412 -9.295 1.00 13.24 H new ATOM 0 HD2 PRO A 541 -6.530 15.762 -11.376 1.00 40.13 H new ATOM 0 HD3 PRO A 541 -7.513 14.954 -10.172 1.00 40.13 H new ATOM 22 N HIS A 542 -5.205 19.295 -7.760 1.00 74.55 N ATOM 23 CA HIS A 542 -4.313 20.445 -7.853 1.00 32.54 C ATOM 24 C HIS A 542 -2.888 20.059 -7.465 1.00 14.33 C ATOM 25 O HIS A 542 -1.988 20.049 -8.302 1.00 71.25 O ATOM 26 CB HIS A 542 -4.811 21.577 -6.955 1.00 35.42 C ATOM 27 CG HIS A 542 -4.209 22.909 -7.281 1.00 50.25 C ATOM 28 ND1 HIS A 542 -4.532 24.067 -6.606 1.00 10.13 N ATOM 29 CD2 HIS A 542 -3.298 23.263 -8.218 1.00 3.30 C ATOM 30 CE1 HIS A 542 -3.847 25.076 -7.113 1.00 23.31 C ATOM 31 NE2 HIS A 542 -3.090 24.615 -8.092 1.00 74.43 N ATOM 0 H HIS A 542 -5.472 19.044 -6.808 1.00 74.55 H new ATOM 0 HA HIS A 542 -4.308 20.789 -8.887 1.00 32.54 H new ATOM 0 HB2 HIS A 542 -5.895 21.647 -7.040 1.00 35.42 H new ATOM 0 HB3 HIS A 542 -4.588 21.331 -5.917 1.00 35.42 H new ATOM 0 HD2 HIS A 542 -2.824 22.605 -8.931 1.00 3.30 H new ATOM 0 HE1 HIS A 542 -3.897 26.103 -6.783 1.00 23.31 H new ATOM 0 HE2 HIS A 542 -2.454 25.172 -8.662 1.00 74.43 H new ATOM 40 N MET A 543 -2.693 19.746 -6.188 1.00 71.21 N ATOM 41 CA MET A 543 -1.379 19.359 -5.688 1.00 45.45 C ATOM 42 C MET A 543 -1.031 17.937 -6.117 1.00 4.14 C ATOM 43 O MET A 543 -1.907 17.160 -6.492 1.00 32.42 O ATOM 44 CB MET A 543 -1.336 19.471 -4.164 1.00 25.34 C ATOM 45 CG MET A 543 -1.086 20.884 -3.664 1.00 3.52 C ATOM 46 SD MET A 543 0.669 21.288 -3.572 1.00 21.30 S ATOM 47 CE MET A 543 0.600 23.073 -3.443 1.00 63.25 C ATOM 0 H MET A 543 -3.428 19.753 -5.481 1.00 71.21 H new ATOM 0 HA MET A 543 -0.641 20.038 -6.115 1.00 45.45 H new ATOM 0 HB2 MET A 543 -2.280 19.112 -3.755 1.00 25.34 H new ATOM 0 HB3 MET A 543 -0.553 18.816 -3.782 1.00 25.34 H new ATOM 0 HG2 MET A 543 -1.584 21.593 -4.326 1.00 3.52 H new ATOM 0 HG3 MET A 543 -1.534 21.001 -2.677 1.00 3.52 H new ATOM 0 HE1 MET A 543 1.612 23.472 -3.378 1.00 63.25 H new ATOM 0 HE2 MET A 543 0.104 23.483 -4.323 1.00 63.25 H new ATOM 0 HE3 MET A 543 0.042 23.352 -2.549 1.00 63.25 H new ATOM 57 N GLY A 544 0.255 17.605 -6.058 1.00 43.13 N ATOM 58 CA GLY A 544 0.696 16.276 -6.444 1.00 12.44 C ATOM 59 C GLY A 544 2.053 15.926 -5.867 1.00 2.40 C ATOM 60 O GLY A 544 2.905 15.368 -6.560 1.00 11.13 O ATOM 0 H GLY A 544 0.999 18.231 -5.750 1.00 43.13 H new ATOM 0 HA2 GLY A 544 -0.038 15.542 -6.111 1.00 12.44 H new ATOM 0 HA3 GLY A 544 0.739 16.212 -7.531 1.00 12.44 H new ATOM 64 N ASP A 545 2.257 16.256 -4.596 1.00 65.45 N ATOM 65 CA ASP A 545 3.522 15.973 -3.927 1.00 43.20 C ATOM 66 C ASP A 545 3.674 14.479 -3.661 1.00 73.14 C ATOM 67 O ASP A 545 4.778 13.936 -3.718 1.00 31.44 O ATOM 68 CB ASP A 545 3.612 16.749 -2.613 1.00 34.32 C ATOM 69 CG ASP A 545 3.117 18.176 -2.748 1.00 5.14 C ATOM 70 OD1 ASP A 545 1.985 18.456 -2.302 1.00 32.41 O ATOM 71 OD2 ASP A 545 3.863 19.013 -3.297 1.00 73.44 O ATOM 0 H ASP A 545 1.563 16.719 -4.009 1.00 65.45 H new ATOM 0 HA ASP A 545 4.332 16.291 -4.584 1.00 43.20 H new ATOM 0 HB2 ASP A 545 3.027 16.235 -1.850 1.00 34.32 H new ATOM 0 HB3 ASP A 545 4.646 16.757 -2.269 1.00 34.32 H new ATOM 77 N LEU A 546 2.558 13.819 -3.370 1.00 72.44 N ATOM 78 CA LEU A 546 2.567 12.386 -3.094 1.00 73.13 C ATOM 79 C LEU A 546 3.177 11.611 -4.258 1.00 5.11 C ATOM 80 O LEU A 546 3.692 10.507 -4.079 1.00 1.44 O ATOM 81 CB LEU A 546 1.145 11.889 -2.828 1.00 12.25 C ATOM 82 CG LEU A 546 0.638 12.043 -1.393 1.00 61.40 C ATOM 83 CD1 LEU A 546 1.426 11.145 -0.451 1.00 34.15 C ATOM 84 CD2 LEU A 546 0.728 13.496 -0.948 1.00 73.51 C ATOM 0 H LEU A 546 1.636 14.253 -3.319 1.00 72.44 H new ATOM 0 HA LEU A 546 3.178 12.216 -2.207 1.00 73.13 H new ATOM 0 HB2 LEU A 546 0.465 12.423 -3.492 1.00 12.25 H new ATOM 0 HB3 LEU A 546 1.093 10.835 -3.099 1.00 12.25 H new ATOM 0 HG LEU A 546 -0.408 11.739 -1.362 1.00 61.40 H new ATOM 0 HD11 LEU A 546 1.052 11.267 0.566 1.00 34.15 H new ATOM 0 HD12 LEU A 546 1.310 10.105 -0.758 1.00 34.15 H new ATOM 0 HD13 LEU A 546 2.481 11.418 -0.485 1.00 34.15 H new ATOM 0 HD21 LEU A 546 0.363 13.586 0.075 1.00 73.51 H new ATOM 0 HD22 LEU A 546 1.766 13.827 -0.994 1.00 73.51 H new ATOM 0 HD23 LEU A 546 0.120 14.116 -1.606 1.00 73.51 H new ATOM 96 N ALA A 547 3.120 12.197 -5.449 1.00 3.45 N ATOM 97 CA ALA A 547 3.671 11.565 -6.640 1.00 22.10 C ATOM 98 C ALA A 547 5.114 11.127 -6.411 1.00 73.03 C ATOM 99 O ALA A 547 5.553 10.102 -6.932 1.00 30.31 O ATOM 100 CB ALA A 547 3.587 12.511 -7.828 1.00 24.14 C ATOM 0 H ALA A 547 2.697 13.110 -5.614 1.00 3.45 H new ATOM 0 HA ALA A 547 3.078 10.676 -6.856 1.00 22.10 H new ATOM 0 HB1 ALA A 547 4.003 12.025 -8.711 1.00 24.14 H new ATOM 0 HB2 ALA A 547 2.545 12.770 -8.014 1.00 24.14 H new ATOM 0 HB3 ALA A 547 4.153 13.417 -7.612 1.00 24.14 H new ATOM 106 N LYS A 548 5.849 11.911 -5.629 1.00 34.44 N ATOM 107 CA LYS A 548 7.242 11.604 -5.330 1.00 12.42 C ATOM 108 C LYS A 548 7.345 10.460 -4.328 1.00 33.45 C ATOM 109 O LYS A 548 8.285 9.666 -4.372 1.00 41.41 O ATOM 110 CB LYS A 548 7.951 12.844 -4.779 1.00 12.34 C ATOM 111 CG LYS A 548 9.451 12.842 -5.014 1.00 23.34 C ATOM 112 CD LYS A 548 10.101 14.106 -4.480 1.00 4.54 C ATOM 113 CE LYS A 548 10.234 14.068 -2.965 1.00 41.33 C ATOM 114 NZ LYS A 548 10.736 15.360 -2.419 1.00 25.21 N ATOM 0 H LYS A 548 5.502 12.764 -5.191 1.00 34.44 H new ATOM 0 HA LYS A 548 7.727 11.296 -6.256 1.00 12.42 H new ATOM 0 HB2 LYS A 548 7.521 13.733 -5.240 1.00 12.34 H new ATOM 0 HB3 LYS A 548 7.760 12.916 -3.708 1.00 12.34 H new ATOM 0 HG2 LYS A 548 9.895 11.972 -4.531 1.00 23.34 H new ATOM 0 HG3 LYS A 548 9.653 12.751 -6.081 1.00 23.34 H new ATOM 0 HD2 LYS A 548 11.086 14.227 -4.930 1.00 4.54 H new ATOM 0 HD3 LYS A 548 9.508 14.973 -4.773 1.00 4.54 H new ATOM 0 HE2 LYS A 548 9.265 13.838 -2.521 1.00 41.33 H new ATOM 0 HE3 LYS A 548 10.914 13.265 -2.680 1.00 41.33 H new ATOM 0 HZ1 LYS A 548 10.813 15.293 -1.384 1.00 25.21 H new ATOM 0 HZ2 LYS A 548 11.672 15.567 -2.823 1.00 25.21 H new ATOM 0 HZ3 LYS A 548 10.075 16.123 -2.669 1.00 25.21 H new ATOM 128 N GLU A 549 6.371 10.379 -3.426 1.00 0.01 N ATOM 129 CA GLU A 549 6.354 9.330 -2.413 1.00 71.01 C ATOM 130 C GLU A 549 6.054 7.972 -3.042 1.00 61.04 C ATOM 131 O GLU A 549 6.865 7.049 -2.966 1.00 34.21 O ATOM 132 CB GLU A 549 5.313 9.646 -1.337 1.00 2.12 C ATOM 133 CG GLU A 549 5.915 10.166 -0.043 1.00 2.43 C ATOM 134 CD GLU A 549 4.921 10.952 0.789 1.00 12.14 C ATOM 135 OE1 GLU A 549 4.924 12.198 0.696 1.00 14.41 O ATOM 136 OE2 GLU A 549 4.140 10.323 1.533 1.00 53.40 O ATOM 0 H GLU A 549 5.584 11.027 -3.376 1.00 0.01 H new ATOM 0 HA GLU A 549 7.341 9.289 -1.953 1.00 71.01 H new ATOM 0 HB2 GLU A 549 4.614 10.386 -1.726 1.00 2.12 H new ATOM 0 HB3 GLU A 549 4.738 8.745 -1.124 1.00 2.12 H new ATOM 0 HG2 GLU A 549 6.289 9.326 0.542 1.00 2.43 H new ATOM 0 HG3 GLU A 549 6.771 10.800 -0.274 1.00 2.43 H new ATOM 144 N ARG A 550 4.883 7.860 -3.662 1.00 65.23 N ATOM 145 CA ARG A 550 4.475 6.615 -4.303 1.00 25.15 C ATOM 146 C ARG A 550 5.555 6.116 -5.258 1.00 64.14 C ATOM 147 O ARG A 550 5.789 4.913 -5.373 1.00 31.23 O ATOM 148 CB ARG A 550 3.162 6.814 -5.060 1.00 55.12 C ATOM 149 CG ARG A 550 2.636 5.545 -5.713 1.00 11.31 C ATOM 150 CD ARG A 550 1.171 5.681 -6.094 1.00 34.32 C ATOM 151 NE ARG A 550 0.790 4.743 -7.147 1.00 22.14 N ATOM 152 CZ ARG A 550 -0.469 4.486 -7.483 1.00 11.01 C ATOM 153 NH1 ARG A 550 -1.465 5.094 -6.852 1.00 5.25 N ATOM 154 NH2 ARG A 550 -0.736 3.620 -8.452 1.00 22.21 N ATOM 0 H ARG A 550 4.201 8.615 -3.734 1.00 65.23 H new ATOM 0 HA ARG A 550 4.328 5.866 -3.525 1.00 25.15 H new ATOM 0 HB2 ARG A 550 2.409 7.196 -4.370 1.00 55.12 H new ATOM 0 HB3 ARG A 550 3.307 7.574 -5.828 1.00 55.12 H new ATOM 0 HG2 ARG A 550 3.225 5.321 -6.602 1.00 11.31 H new ATOM 0 HG3 ARG A 550 2.759 4.705 -5.029 1.00 11.31 H new ATOM 0 HD2 ARG A 550 0.550 5.510 -5.214 1.00 34.32 H new ATOM 0 HD3 ARG A 550 0.976 6.700 -6.428 1.00 34.32 H new ATOM 0 HE ARG A 550 1.532 4.259 -7.652 1.00 22.14 H new ATOM 0 HH11 ARG A 550 -1.265 5.761 -6.107 1.00 5.25 H new ATOM 0 HH12 ARG A 550 -2.431 4.895 -7.112 1.00 5.25 H new ATOM 0 HH21 ARG A 550 0.026 3.150 -8.940 1.00 22.21 H new ATOM 0 HH22 ARG A 550 -1.704 3.424 -8.709 1.00 22.21 H new ATOM 168 N ALA A 551 6.210 7.048 -5.942 1.00 72.24 N ATOM 169 CA ALA A 551 7.265 6.703 -6.886 1.00 64.14 C ATOM 170 C ALA A 551 8.302 5.788 -6.242 1.00 15.42 C ATOM 171 O ALA A 551 8.518 4.665 -6.692 1.00 20.44 O ATOM 172 CB ALA A 551 7.930 7.964 -7.420 1.00 30.54 C ATOM 0 H ALA A 551 6.028 8.048 -5.860 1.00 72.24 H new ATOM 0 HA ALA A 551 6.811 6.165 -7.718 1.00 64.14 H new ATOM 0 HB1 ALA A 551 8.716 7.691 -8.124 1.00 30.54 H new ATOM 0 HB2 ALA A 551 7.187 8.580 -7.927 1.00 30.54 H new ATOM 0 HB3 ALA A 551 8.363 8.525 -6.592 1.00 30.54 H new ATOM 178 N GLY A 552 8.941 6.279 -5.184 1.00 14.04 N ATOM 179 CA GLY A 552 9.947 5.493 -4.494 1.00 72.25 C ATOM 180 C GLY A 552 9.343 4.382 -3.660 1.00 61.33 C ATOM 181 O GLY A 552 9.809 3.242 -3.699 1.00 44.42 O ATOM 0 H GLY A 552 8.780 7.207 -4.793 1.00 14.04 H new ATOM 0 HA2 GLY A 552 10.632 5.063 -5.225 1.00 72.25 H new ATOM 0 HA3 GLY A 552 10.536 6.147 -3.851 1.00 72.25 H new ATOM 185 N VAL A 553 8.304 4.711 -2.901 1.00 54.02 N ATOM 186 CA VAL A 553 7.635 3.732 -2.052 1.00 10.12 C ATOM 187 C VAL A 553 7.247 2.490 -2.846 1.00 63.35 C ATOM 188 O VAL A 553 7.644 1.375 -2.508 1.00 24.15 O ATOM 189 CB VAL A 553 6.372 4.325 -1.399 1.00 74.20 C ATOM 190 CG1 VAL A 553 5.633 3.260 -0.603 1.00 21.25 C ATOM 191 CG2 VAL A 553 6.736 5.507 -0.514 1.00 15.20 C ATOM 0 H VAL A 553 7.906 5.649 -2.856 1.00 54.02 H new ATOM 0 HA VAL A 553 8.343 3.454 -1.271 1.00 10.12 H new ATOM 0 HB VAL A 553 5.709 4.681 -2.187 1.00 74.20 H new ATOM 0 HG11 VAL A 553 4.744 3.697 -0.149 1.00 21.25 H new ATOM 0 HG12 VAL A 553 5.339 2.447 -1.268 1.00 21.25 H new ATOM 0 HG13 VAL A 553 6.286 2.871 0.179 1.00 21.25 H new ATOM 0 HG21 VAL A 553 5.832 5.914 -0.061 1.00 15.20 H new ATOM 0 HG22 VAL A 553 7.419 5.178 0.270 1.00 15.20 H new ATOM 0 HG23 VAL A 553 7.218 6.277 -1.116 1.00 15.20 H new ATOM 201 N TYR A 554 6.471 2.690 -3.905 1.00 35.32 N ATOM 202 CA TYR A 554 6.027 1.586 -4.748 1.00 23.45 C ATOM 203 C TYR A 554 7.210 0.729 -5.189 1.00 30.33 C ATOM 204 O TYR A 554 7.138 -0.501 -5.186 1.00 72.21 O ATOM 205 CB TYR A 554 5.283 2.118 -5.973 1.00 63.41 C ATOM 206 CG TYR A 554 4.842 1.035 -6.931 1.00 34.11 C ATOM 207 CD1 TYR A 554 3.681 0.307 -6.699 1.00 31.41 C ATOM 208 CD2 TYR A 554 5.585 0.738 -8.067 1.00 22.10 C ATOM 209 CE1 TYR A 554 3.274 -0.684 -7.571 1.00 21.51 C ATOM 210 CE2 TYR A 554 5.185 -0.250 -8.945 1.00 31.15 C ATOM 211 CZ TYR A 554 4.029 -0.958 -8.692 1.00 73.35 C ATOM 212 OH TYR A 554 3.627 -1.945 -9.564 1.00 52.43 O ATOM 0 H TYR A 554 6.136 3.607 -4.201 1.00 35.32 H new ATOM 0 HA TYR A 554 5.349 0.965 -4.163 1.00 23.45 H new ATOM 0 HB2 TYR A 554 4.408 2.677 -5.642 1.00 63.41 H new ATOM 0 HB3 TYR A 554 5.927 2.820 -6.503 1.00 63.41 H new ATOM 0 HD1 TYR A 554 3.087 0.520 -5.822 1.00 31.41 H new ATOM 0 HD2 TYR A 554 6.492 1.290 -8.267 1.00 22.10 H new ATOM 0 HE1 TYR A 554 2.370 -1.241 -7.376 1.00 21.51 H new ATOM 0 HE2 TYR A 554 5.774 -0.467 -9.824 1.00 31.15 H new ATOM 0 HH TYR A 554 4.269 -2.011 -10.302 1.00 52.43 H new ATOM 222 N THR A 555 8.301 1.387 -5.567 1.00 62.33 N ATOM 223 CA THR A 555 9.500 0.688 -6.012 1.00 1.20 C ATOM 224 C THR A 555 9.922 -0.376 -5.005 1.00 4.43 C ATOM 225 O THR A 555 10.295 -1.488 -5.379 1.00 14.41 O ATOM 226 CB THR A 555 10.672 1.664 -6.230 1.00 55.54 C ATOM 227 OG1 THR A 555 10.249 2.761 -7.050 1.00 34.42 O ATOM 228 CG2 THR A 555 11.849 0.959 -6.886 1.00 11.10 C ATOM 0 H THR A 555 8.379 2.404 -5.574 1.00 62.33 H new ATOM 0 HA THR A 555 9.253 0.210 -6.960 1.00 1.20 H new ATOM 0 HB THR A 555 10.990 2.039 -5.257 1.00 55.54 H new ATOM 0 HG1 THR A 555 9.783 3.422 -6.497 1.00 34.42 H new ATOM 0 HG21 THR A 555 12.664 1.668 -7.030 1.00 11.10 H new ATOM 0 HG22 THR A 555 12.187 0.143 -6.247 1.00 11.10 H new ATOM 0 HG23 THR A 555 11.541 0.559 -7.852 1.00 11.10 H new ATOM 236 N LYS A 556 9.860 -0.028 -3.724 1.00 30.13 N ATOM 237 CA LYS A 556 10.234 -0.954 -2.660 1.00 51.34 C ATOM 238 C LYS A 556 9.129 -1.977 -2.416 1.00 12.11 C ATOM 239 O LYS A 556 9.399 -3.123 -2.054 1.00 53.03 O ATOM 240 CB LYS A 556 10.528 -0.187 -1.369 1.00 21.33 C ATOM 241 CG LYS A 556 12.005 0.097 -1.153 1.00 40.03 C ATOM 242 CD LYS A 556 12.433 1.380 -1.845 1.00 70.42 C ATOM 243 CE LYS A 556 13.838 1.791 -1.436 1.00 44.30 C ATOM 244 NZ LYS A 556 14.879 1.015 -2.166 1.00 52.13 N ATOM 0 H LYS A 556 9.554 0.889 -3.397 1.00 30.13 H new ATOM 0 HA LYS A 556 11.133 -1.485 -2.973 1.00 51.34 H new ATOM 0 HB2 LYS A 556 9.984 0.757 -1.385 1.00 21.33 H new ATOM 0 HB3 LYS A 556 10.149 -0.759 -0.522 1.00 21.33 H new ATOM 0 HG2 LYS A 556 12.209 0.173 -0.085 1.00 40.03 H new ATOM 0 HG3 LYS A 556 12.596 -0.737 -1.532 1.00 40.03 H new ATOM 0 HD2 LYS A 556 12.393 1.243 -2.926 1.00 70.42 H new ATOM 0 HD3 LYS A 556 11.733 2.178 -1.599 1.00 70.42 H new ATOM 0 HE2 LYS A 556 13.976 2.855 -1.630 1.00 44.30 H new ATOM 0 HE3 LYS A 556 13.961 1.644 -0.363 1.00 44.30 H new ATOM 0 HZ1 LYS A 556 15.823 1.325 -1.858 1.00 52.13 H new ATOM 0 HZ2 LYS A 556 14.764 0.002 -1.961 1.00 52.13 H new ATOM 0 HZ3 LYS A 556 14.778 1.175 -3.189 1.00 52.13 H new ATOM 258 N LEU A 557 7.885 -1.556 -2.618 1.00 1.03 N ATOM 259 CA LEU A 557 6.738 -2.437 -2.421 1.00 50.42 C ATOM 260 C LEU A 557 6.860 -3.690 -3.281 1.00 51.03 C ATOM 261 O LEU A 557 6.394 -4.764 -2.900 1.00 63.11 O ATOM 262 CB LEU A 557 5.440 -1.699 -2.755 1.00 44.23 C ATOM 263 CG LEU A 557 4.711 -1.057 -1.575 1.00 0.43 C ATOM 264 CD1 LEU A 557 4.397 -2.097 -0.512 1.00 13.34 C ATOM 265 CD2 LEU A 557 5.540 0.076 -0.988 1.00 11.34 C ATOM 0 H LEU A 557 7.645 -0.611 -2.918 1.00 1.03 H new ATOM 0 HA LEU A 557 6.718 -2.738 -1.374 1.00 50.42 H new ATOM 0 HB2 LEU A 557 5.665 -0.921 -3.484 1.00 44.23 H new ATOM 0 HB3 LEU A 557 4.760 -2.401 -3.238 1.00 44.23 H new ATOM 0 HG LEU A 557 3.770 -0.642 -1.936 1.00 0.43 H new ATOM 0 HD11 LEU A 557 3.878 -1.621 0.320 1.00 13.34 H new ATOM 0 HD12 LEU A 557 3.763 -2.874 -0.939 1.00 13.34 H new ATOM 0 HD13 LEU A 557 5.325 -2.543 -0.154 1.00 13.34 H new ATOM 0 HD21 LEU A 557 5.005 0.521 -0.149 1.00 11.34 H new ATOM 0 HD22 LEU A 557 6.497 -0.315 -0.642 1.00 11.34 H new ATOM 0 HD23 LEU A 557 5.712 0.834 -1.752 1.00 11.34 H new ATOM 277 N CYS A 558 7.491 -3.545 -4.441 1.00 61.42 N ATOM 278 CA CYS A 558 7.675 -4.666 -5.356 1.00 24.40 C ATOM 279 C CYS A 558 8.581 -5.728 -4.739 1.00 61.32 C ATOM 280 O CYS A 558 8.624 -6.867 -5.202 1.00 30.30 O ATOM 281 CB CYS A 558 8.268 -4.180 -6.679 1.00 42.13 C ATOM 282 SG CYS A 558 7.225 -3.000 -7.566 1.00 1.11 S ATOM 0 H CYS A 558 7.884 -2.663 -4.770 1.00 61.42 H new ATOM 0 HA CYS A 558 6.699 -5.112 -5.546 1.00 24.40 H new ATOM 0 HB2 CYS A 558 9.235 -3.718 -6.483 1.00 42.13 H new ATOM 0 HB3 CYS A 558 8.451 -5.042 -7.321 1.00 42.13 H new ATOM 0 HG CYS A 558 7.066 -1.932 -6.842 1.00 1.11 H new ATOM 288 N GLY A 559 9.304 -5.346 -3.691 1.00 53.12 N ATOM 289 CA GLY A 559 10.200 -6.276 -3.029 1.00 41.40 C ATOM 290 C GLY A 559 9.714 -6.665 -1.647 1.00 51.31 C ATOM 291 O GLY A 559 10.362 -7.445 -0.949 1.00 70.03 O ATOM 0 H GLY A 559 9.285 -4.409 -3.288 1.00 53.12 H new ATOM 0 HA2 GLY A 559 10.304 -7.173 -3.640 1.00 41.40 H new ATOM 0 HA3 GLY A 559 11.190 -5.828 -2.950 1.00 41.40 H new ATOM 295 N VAL A 560 8.568 -6.120 -1.250 1.00 4.45 N ATOM 296 CA VAL A 560 7.995 -6.414 0.059 1.00 62.01 C ATOM 297 C VAL A 560 6.643 -7.103 -0.077 1.00 33.41 C ATOM 298 O VAL A 560 6.219 -7.843 0.813 1.00 61.44 O ATOM 299 CB VAL A 560 7.825 -5.134 0.898 1.00 40.34 C ATOM 300 CG1 VAL A 560 7.413 -5.479 2.322 1.00 64.15 C ATOM 301 CG2 VAL A 560 9.108 -4.317 0.889 1.00 51.10 C ATOM 0 H VAL A 560 8.018 -5.473 -1.816 1.00 4.45 H new ATOM 0 HA VAL A 560 8.691 -7.082 0.567 1.00 62.01 H new ATOM 0 HB VAL A 560 7.034 -4.531 0.452 1.00 40.34 H new ATOM 0 HG11 VAL A 560 7.298 -4.562 2.900 1.00 64.15 H new ATOM 0 HG12 VAL A 560 6.466 -6.019 2.306 1.00 64.15 H new ATOM 0 HG13 VAL A 560 8.179 -6.103 2.781 1.00 64.15 H new ATOM 0 HG21 VAL A 560 8.970 -3.416 1.487 1.00 51.10 H new ATOM 0 HG22 VAL A 560 9.920 -4.910 1.309 1.00 51.10 H new ATOM 0 HG23 VAL A 560 9.355 -4.038 -0.135 1.00 51.10 H new ATOM 311 N PHE A 561 5.968 -6.857 -1.195 1.00 24.12 N ATOM 312 CA PHE A 561 4.662 -7.454 -1.447 1.00 4.01 C ATOM 313 C PHE A 561 4.358 -7.485 -2.943 1.00 11.34 C ATOM 314 O PHE A 561 4.943 -6.748 -3.735 1.00 51.04 O ATOM 315 CB PHE A 561 3.571 -6.676 -0.708 1.00 70.44 C ATOM 316 CG PHE A 561 3.450 -7.044 0.742 1.00 21.44 C ATOM 317 CD1 PHE A 561 2.826 -8.222 1.123 1.00 3.41 C ATOM 318 CD2 PHE A 561 3.961 -6.213 1.726 1.00 21.33 C ATOM 319 CE1 PHE A 561 2.712 -8.561 2.458 1.00 65.33 C ATOM 320 CE2 PHE A 561 3.852 -6.548 3.063 1.00 71.24 C ATOM 321 CZ PHE A 561 3.227 -7.725 3.429 1.00 1.20 C ATOM 0 H PHE A 561 6.304 -6.248 -1.941 1.00 24.12 H new ATOM 0 HA PHE A 561 4.681 -8.479 -1.077 1.00 4.01 H new ATOM 0 HB2 PHE A 561 3.780 -5.609 -0.788 1.00 70.44 H new ATOM 0 HB3 PHE A 561 2.614 -6.851 -1.200 1.00 70.44 H new ATOM 0 HD1 PHE A 561 2.425 -8.882 0.368 1.00 3.41 H new ATOM 0 HD2 PHE A 561 4.451 -5.292 1.445 1.00 21.33 H new ATOM 0 HE1 PHE A 561 2.220 -9.480 2.742 1.00 65.33 H new ATOM 0 HE2 PHE A 561 4.255 -5.891 3.820 1.00 71.24 H new ATOM 0 HZ PHE A 561 3.142 -7.990 4.472 1.00 1.20 H new ATOM 331 N PRO A 562 3.419 -8.358 -3.337 1.00 24.13 N ATOM 332 CA PRO A 562 3.015 -8.506 -4.738 1.00 20.32 C ATOM 333 C PRO A 562 2.242 -7.295 -5.250 1.00 62.20 C ATOM 334 O PRO A 562 1.836 -6.420 -4.486 1.00 10.45 O ATOM 335 CB PRO A 562 2.115 -9.745 -4.719 1.00 4.33 C ATOM 336 CG PRO A 562 1.588 -9.808 -3.326 1.00 53.53 C ATOM 337 CD PRO A 562 2.680 -9.267 -2.445 1.00 11.11 C ATOM 0 HA PRO A 562 3.875 -8.596 -5.402 1.00 20.32 H new ATOM 0 HB2 PRO A 562 1.306 -9.658 -5.445 1.00 4.33 H new ATOM 0 HB3 PRO A 562 2.675 -10.645 -4.972 1.00 4.33 H new ATOM 0 HG2 PRO A 562 0.677 -9.217 -3.226 1.00 53.53 H new ATOM 0 HG3 PRO A 562 1.335 -10.832 -3.050 1.00 53.53 H new ATOM 0 HD2 PRO A 562 2.275 -8.741 -1.581 1.00 11.11 H new ATOM 0 HD3 PRO A 562 3.319 -10.063 -2.063 1.00 11.11 H new ATOM 345 N PRO A 563 2.033 -7.242 -6.574 1.00 63.50 N ATOM 346 CA PRO A 563 1.308 -6.143 -7.217 1.00 63.50 C ATOM 347 C PRO A 563 -0.180 -6.157 -6.884 1.00 32.45 C ATOM 348 O PRO A 563 -0.764 -5.124 -6.557 1.00 52.12 O ATOM 349 CB PRO A 563 1.524 -6.401 -8.710 1.00 62.11 C ATOM 350 CG PRO A 563 1.774 -7.867 -8.809 1.00 55.45 C ATOM 351 CD PRO A 563 2.490 -8.251 -7.545 1.00 31.53 C ATOM 0 HA PRO A 563 1.665 -5.169 -6.883 1.00 63.50 H new ATOM 0 HB2 PRO A 563 0.651 -6.108 -9.293 1.00 62.11 H new ATOM 0 HB3 PRO A 563 2.369 -5.829 -9.092 1.00 62.11 H new ATOM 0 HG2 PRO A 563 0.838 -8.417 -8.910 1.00 55.45 H new ATOM 0 HG3 PRO A 563 2.377 -8.102 -9.686 1.00 55.45 H new ATOM 0 HD2 PRO A 563 2.231 -9.261 -7.227 1.00 31.53 H new ATOM 0 HD3 PRO A 563 3.572 -8.225 -7.672 1.00 31.53 H new ATOM 359 N HIS A 564 -0.789 -7.336 -6.968 1.00 20.15 N ATOM 360 CA HIS A 564 -2.210 -7.486 -6.674 1.00 2.43 C ATOM 361 C HIS A 564 -2.536 -6.951 -5.282 1.00 72.32 C ATOM 362 O HIS A 564 -3.669 -6.552 -5.009 1.00 2.52 O ATOM 363 CB HIS A 564 -2.623 -8.954 -6.779 1.00 61.01 C ATOM 364 CG HIS A 564 -2.433 -9.721 -5.507 1.00 32.04 C ATOM 365 ND1 HIS A 564 -1.253 -10.356 -5.180 1.00 73.54 N ATOM 366 CD2 HIS A 564 -3.281 -9.953 -4.478 1.00 5.24 C ATOM 367 CE1 HIS A 564 -1.384 -10.947 -4.006 1.00 20.13 C ATOM 368 NE2 HIS A 564 -2.606 -10.716 -3.558 1.00 23.45 N ATOM 0 H HIS A 564 -0.321 -8.201 -7.237 1.00 20.15 H new ATOM 0 HA HIS A 564 -2.770 -6.906 -7.407 1.00 2.43 H new ATOM 0 HB2 HIS A 564 -3.671 -9.008 -7.073 1.00 61.01 H new ATOM 0 HB3 HIS A 564 -2.045 -9.430 -7.571 1.00 61.01 H new ATOM 0 HD2 HIS A 564 -4.299 -9.603 -4.396 1.00 5.24 H new ATOM 0 HE1 HIS A 564 -0.623 -11.521 -3.499 1.00 20.13 H new ATOM 0 HE2 HIS A 564 -2.986 -11.050 -2.672 1.00 23.45 H new ATOM 377 N LEU A 565 -1.537 -6.948 -4.407 1.00 0.53 N ATOM 378 CA LEU A 565 -1.717 -6.463 -3.042 1.00 54.35 C ATOM 379 C LEU A 565 -1.575 -4.945 -2.980 1.00 64.34 C ATOM 380 O LEU A 565 -2.509 -4.238 -2.605 1.00 42.54 O ATOM 381 CB LEU A 565 -0.702 -7.122 -2.108 1.00 1.51 C ATOM 382 CG LEU A 565 -1.182 -8.369 -1.366 1.00 61.10 C ATOM 383 CD1 LEU A 565 -0.073 -8.928 -0.489 1.00 33.45 C ATOM 384 CD2 LEU A 565 -2.415 -8.052 -0.533 1.00 10.43 C ATOM 0 H LEU A 565 -0.594 -7.276 -4.617 1.00 0.53 H new ATOM 0 HA LEU A 565 -2.723 -6.728 -2.718 1.00 54.35 H new ATOM 0 HB2 LEU A 565 0.179 -7.388 -2.692 1.00 1.51 H new ATOM 0 HB3 LEU A 565 -0.385 -6.385 -1.371 1.00 1.51 H new ATOM 0 HG LEU A 565 -1.451 -9.126 -2.103 1.00 61.10 H new ATOM 0 HD11 LEU A 565 -0.433 -9.815 0.031 1.00 33.45 H new ATOM 0 HD12 LEU A 565 0.783 -9.194 -1.110 1.00 33.45 H new ATOM 0 HD13 LEU A 565 0.228 -8.176 0.241 1.00 33.45 H new ATOM 0 HD21 LEU A 565 -2.743 -8.951 -0.012 1.00 10.43 H new ATOM 0 HD22 LEU A 565 -2.173 -7.278 0.195 1.00 10.43 H new ATOM 0 HD23 LEU A 565 -3.214 -7.699 -1.185 1.00 10.43 H new ATOM 396 N VAL A 566 -0.397 -4.452 -3.353 1.00 31.05 N ATOM 397 CA VAL A 566 -0.133 -3.018 -3.342 1.00 62.13 C ATOM 398 C VAL A 566 -1.170 -2.261 -4.165 1.00 43.14 C ATOM 399 O VAL A 566 -1.796 -1.321 -3.678 1.00 22.03 O ATOM 400 CB VAL A 566 1.271 -2.703 -3.892 1.00 64.23 C ATOM 401 CG1 VAL A 566 1.541 -1.207 -3.845 1.00 55.31 C ATOM 402 CG2 VAL A 566 2.332 -3.468 -3.115 1.00 32.42 C ATOM 0 H VAL A 566 0.388 -5.024 -3.666 1.00 31.05 H new ATOM 0 HA VAL A 566 -0.191 -2.693 -2.303 1.00 62.13 H new ATOM 0 HB VAL A 566 1.313 -3.023 -4.933 1.00 64.23 H new ATOM 0 HG11 VAL A 566 2.537 -1.005 -4.238 1.00 55.31 H new ATOM 0 HG12 VAL A 566 0.800 -0.684 -4.450 1.00 55.31 H new ATOM 0 HG13 VAL A 566 1.480 -0.858 -2.814 1.00 55.31 H new ATOM 0 HG21 VAL A 566 3.318 -3.233 -3.517 1.00 32.42 H new ATOM 0 HG22 VAL A 566 2.291 -3.181 -2.064 1.00 32.42 H new ATOM 0 HG23 VAL A 566 2.149 -4.539 -3.206 1.00 32.42 H new ATOM 412 N GLU A 567 -1.346 -2.680 -5.414 1.00 53.43 N ATOM 413 CA GLU A 567 -2.308 -2.041 -6.304 1.00 51.43 C ATOM 414 C GLU A 567 -3.683 -1.952 -5.647 1.00 23.30 C ATOM 415 O GLU A 567 -4.461 -1.042 -5.931 1.00 70.44 O ATOM 416 CB GLU A 567 -2.409 -2.813 -7.622 1.00 13.31 C ATOM 417 CG GLU A 567 -1.200 -2.636 -8.525 1.00 73.11 C ATOM 418 CD GLU A 567 -1.393 -3.271 -9.888 1.00 43.03 C ATOM 419 OE1 GLU A 567 -0.667 -2.886 -10.830 1.00 11.24 O ATOM 420 OE2 GLU A 567 -2.269 -4.153 -10.014 1.00 44.43 O ATOM 0 H GLU A 567 -0.836 -3.458 -5.832 1.00 53.43 H new ATOM 0 HA GLU A 567 -1.957 -1.030 -6.510 1.00 51.43 H new ATOM 0 HB2 GLU A 567 -2.537 -3.873 -7.403 1.00 13.31 H new ATOM 0 HB3 GLU A 567 -3.302 -2.488 -8.156 1.00 13.31 H new ATOM 0 HG2 GLU A 567 -0.996 -1.572 -8.649 1.00 73.11 H new ATOM 0 HG3 GLU A 567 -0.325 -3.074 -8.045 1.00 73.11 H new ATOM 428 N ALA A 568 -3.973 -2.905 -4.768 1.00 73.44 N ATOM 429 CA ALA A 568 -5.253 -2.935 -4.069 1.00 63.35 C ATOM 430 C ALA A 568 -5.235 -2.016 -2.853 1.00 13.12 C ATOM 431 O ALA A 568 -6.042 -1.091 -2.750 1.00 43.03 O ATOM 432 CB ALA A 568 -5.593 -4.359 -3.652 1.00 75.34 C ATOM 0 H ALA A 568 -3.340 -3.666 -4.523 1.00 73.44 H new ATOM 0 HA ALA A 568 -6.022 -2.575 -4.753 1.00 63.35 H new ATOM 0 HB1 ALA A 568 -6.551 -4.367 -3.131 1.00 75.34 H new ATOM 0 HB2 ALA A 568 -5.656 -4.992 -4.537 1.00 75.34 H new ATOM 0 HB3 ALA A 568 -4.816 -4.739 -2.988 1.00 75.34 H new ATOM 438 N VAL A 569 -4.312 -2.276 -1.933 1.00 60.32 N ATOM 439 CA VAL A 569 -4.189 -1.472 -0.724 1.00 13.54 C ATOM 440 C VAL A 569 -4.065 0.010 -1.060 1.00 31.42 C ATOM 441 O VAL A 569 -4.579 0.866 -0.341 1.00 75.40 O ATOM 442 CB VAL A 569 -2.971 -1.901 0.116 1.00 51.05 C ATOM 443 CG1 VAL A 569 -2.951 -1.162 1.444 1.00 12.43 C ATOM 444 CG2 VAL A 569 -2.979 -3.406 0.333 1.00 32.33 C ATOM 0 H VAL A 569 -3.638 -3.038 -2.002 1.00 60.32 H new ATOM 0 HA VAL A 569 -5.096 -1.635 -0.142 1.00 13.54 H new ATOM 0 HB VAL A 569 -2.064 -1.640 -0.430 1.00 51.05 H new ATOM 0 HG11 VAL A 569 -2.084 -1.478 2.023 1.00 12.43 H new ATOM 0 HG12 VAL A 569 -2.894 -0.089 1.262 1.00 12.43 H new ATOM 0 HG13 VAL A 569 -3.861 -1.388 2.000 1.00 12.43 H new ATOM 0 HG21 VAL A 569 -2.112 -3.692 0.928 1.00 32.33 H new ATOM 0 HG22 VAL A 569 -3.890 -3.693 0.858 1.00 32.33 H new ATOM 0 HG23 VAL A 569 -2.941 -3.913 -0.631 1.00 32.33 H new ATOM 454 N MET A 570 -3.377 0.306 -2.159 1.00 11.15 N ATOM 455 CA MET A 570 -3.186 1.686 -2.591 1.00 34.40 C ATOM 456 C MET A 570 -4.528 2.374 -2.819 1.00 5.34 C ATOM 457 O MET A 570 -4.635 3.596 -2.708 1.00 53.54 O ATOM 458 CB MET A 570 -2.353 1.730 -3.873 1.00 71.30 C ATOM 459 CG MET A 570 -0.858 1.598 -3.630 1.00 43.23 C ATOM 460 SD MET A 570 0.109 2.771 -4.599 1.00 60.35 S ATOM 461 CE MET A 570 1.695 2.669 -3.772 1.00 72.21 C ATOM 0 H MET A 570 -2.943 -0.390 -2.765 1.00 11.15 H new ATOM 0 HA MET A 570 -2.654 2.218 -1.802 1.00 34.40 H new ATOM 0 HB2 MET A 570 -2.678 0.928 -4.535 1.00 71.30 H new ATOM 0 HB3 MET A 570 -2.547 2.669 -4.391 1.00 71.30 H new ATOM 0 HG2 MET A 570 -0.651 1.750 -2.571 1.00 43.23 H new ATOM 0 HG3 MET A 570 -0.542 0.584 -3.874 1.00 43.23 H new ATOM 0 HE1 MET A 570 1.957 3.646 -3.366 1.00 72.21 H new ATOM 0 HE2 MET A 570 1.637 1.943 -2.961 1.00 72.21 H new ATOM 0 HE3 MET A 570 2.458 2.356 -4.485 1.00 72.21 H new ATOM 471 N ARG A 571 -5.547 1.584 -3.137 1.00 54.31 N ATOM 472 CA ARG A 571 -6.881 2.119 -3.383 1.00 30.21 C ATOM 473 C ARG A 571 -7.572 2.481 -2.071 1.00 4.10 C ATOM 474 O ARG A 571 -8.644 3.086 -2.069 1.00 21.25 O ATOM 475 CB ARG A 571 -7.728 1.104 -4.154 1.00 3.25 C ATOM 476 CG ARG A 571 -8.879 1.730 -4.923 1.00 12.14 C ATOM 477 CD ARG A 571 -10.169 1.699 -4.118 1.00 51.53 C ATOM 478 NE ARG A 571 -11.335 1.456 -4.963 1.00 14.25 N ATOM 479 CZ ARG A 571 -12.588 1.605 -4.547 1.00 51.40 C ATOM 480 NH1 ARG A 571 -12.835 1.996 -3.304 1.00 32.24 N ATOM 481 NH2 ARG A 571 -13.597 1.364 -5.374 1.00 42.40 N ATOM 0 H ARG A 571 -5.475 0.571 -3.231 1.00 54.31 H new ATOM 0 HA ARG A 571 -6.777 3.024 -3.982 1.00 30.21 H new ATOM 0 HB2 ARG A 571 -7.087 0.564 -4.851 1.00 3.25 H new ATOM 0 HB3 ARG A 571 -8.127 0.370 -3.454 1.00 3.25 H new ATOM 0 HG2 ARG A 571 -8.631 2.761 -5.176 1.00 12.14 H new ATOM 0 HG3 ARG A 571 -9.023 1.197 -5.863 1.00 12.14 H new ATOM 0 HD2 ARG A 571 -10.103 0.921 -3.358 1.00 51.53 H new ATOM 0 HD3 ARG A 571 -10.292 2.647 -3.594 1.00 51.53 H new ATOM 0 HE ARG A 571 -11.179 1.155 -5.925 1.00 14.25 H new ATOM 0 HH11 ARG A 571 -12.062 2.183 -2.665 1.00 32.24 H new ATOM 0 HH12 ARG A 571 -13.798 2.110 -2.987 1.00 32.24 H new ATOM 0 HH21 ARG A 571 -13.411 1.064 -6.331 1.00 42.40 H new ATOM 0 HH22 ARG A 571 -14.558 1.479 -5.053 1.00 42.40 H new ATOM 495 N ARG A 572 -6.949 2.106 -0.958 1.00 71.32 N ATOM 496 CA ARG A 572 -7.505 2.389 0.360 1.00 5.31 C ATOM 497 C ARG A 572 -6.830 3.608 0.984 1.00 75.44 C ATOM 498 O ARG A 572 -7.487 4.444 1.604 1.00 24.25 O ATOM 499 CB ARG A 572 -7.339 1.176 1.278 1.00 0.13 C ATOM 500 CG ARG A 572 -8.401 1.084 2.362 1.00 23.12 C ATOM 501 CD ARG A 572 -8.697 -0.362 2.729 1.00 12.14 C ATOM 502 NE ARG A 572 -7.654 -0.938 3.574 1.00 52.42 N ATOM 503 CZ ARG A 572 -7.452 -0.580 4.837 1.00 1.14 C ATOM 504 NH1 ARG A 572 -8.217 0.347 5.398 1.00 24.44 N ATOM 505 NH2 ARG A 572 -6.482 -1.149 5.541 1.00 1.14 N ATOM 0 H ARG A 572 -6.060 1.606 -0.943 1.00 71.32 H new ATOM 0 HA ARG A 572 -8.567 2.604 0.241 1.00 5.31 H new ATOM 0 HB2 ARG A 572 -7.367 0.268 0.675 1.00 0.13 H new ATOM 0 HB3 ARG A 572 -6.356 1.217 1.747 1.00 0.13 H new ATOM 0 HG2 ARG A 572 -8.067 1.624 3.248 1.00 23.12 H new ATOM 0 HG3 ARG A 572 -9.315 1.568 2.019 1.00 23.12 H new ATOM 0 HD2 ARG A 572 -9.654 -0.415 3.248 1.00 12.14 H new ATOM 0 HD3 ARG A 572 -8.794 -0.954 1.819 1.00 12.14 H new ATOM 0 HE ARG A 572 -7.048 -1.654 3.173 1.00 52.42 H new ATOM 0 HH11 ARG A 572 -8.963 0.787 4.859 1.00 24.44 H new ATOM 0 HH12 ARG A 572 -8.059 0.620 6.368 1.00 24.44 H new ATOM 0 HH21 ARG A 572 -5.891 -1.861 5.112 1.00 1.14 H new ATOM 0 HH22 ARG A 572 -6.327 -0.874 6.511 1.00 1.14 H new ATOM 519 N PHE A 573 -5.516 3.702 0.815 1.00 71.24 N ATOM 520 CA PHE A 573 -4.752 4.817 1.361 1.00 22.15 C ATOM 521 C PHE A 573 -4.136 5.654 0.244 1.00 22.23 C ATOM 522 O PHE A 573 -2.924 5.646 0.025 1.00 45.11 O ATOM 523 CB PHE A 573 -3.654 4.302 2.294 1.00 64.31 C ATOM 524 CG PHE A 573 -4.152 3.935 3.661 1.00 32.25 C ATOM 525 CD1 PHE A 573 -4.639 2.663 3.918 1.00 53.14 C ATOM 526 CD2 PHE A 573 -4.133 4.861 4.692 1.00 35.41 C ATOM 527 CE1 PHE A 573 -5.099 2.322 5.176 1.00 62.21 C ATOM 528 CE2 PHE A 573 -4.591 4.525 5.952 1.00 21.25 C ATOM 529 CZ PHE A 573 -5.076 3.254 6.194 1.00 2.45 C ATOM 0 H PHE A 573 -4.957 3.019 0.304 1.00 71.24 H new ATOM 0 HA PHE A 573 -5.435 5.449 1.929 1.00 22.15 H new ATOM 0 HB2 PHE A 573 -3.184 3.429 1.841 1.00 64.31 H new ATOM 0 HB3 PHE A 573 -2.882 5.066 2.390 1.00 64.31 H new ATOM 0 HD1 PHE A 573 -4.659 1.929 3.126 1.00 53.14 H new ATOM 0 HD2 PHE A 573 -3.756 5.856 4.509 1.00 35.41 H new ATOM 0 HE1 PHE A 573 -5.476 1.327 5.362 1.00 62.21 H new ATOM 0 HE2 PHE A 573 -4.570 5.256 6.747 1.00 21.25 H new ATOM 0 HZ PHE A 573 -5.436 2.990 7.177 1.00 2.45 H new ATOM 539 N PRO A 574 -4.989 6.392 -0.481 1.00 2.43 N ATOM 540 CA PRO A 574 -4.551 7.249 -1.588 1.00 14.14 C ATOM 541 C PRO A 574 -3.759 8.459 -1.106 1.00 73.33 C ATOM 542 O PRO A 574 -3.187 9.197 -1.909 1.00 21.22 O ATOM 543 CB PRO A 574 -5.867 7.694 -2.233 1.00 21.30 C ATOM 544 CG PRO A 574 -6.875 7.603 -1.140 1.00 3.03 C ATOM 545 CD PRO A 574 -6.446 6.450 -0.275 1.00 5.14 C ATOM 0 HA PRO A 574 -3.881 6.724 -2.270 1.00 14.14 H new ATOM 0 HB2 PRO A 574 -5.794 8.710 -2.621 1.00 21.30 H new ATOM 0 HB3 PRO A 574 -6.134 7.051 -3.072 1.00 21.30 H new ATOM 0 HG2 PRO A 574 -6.912 8.529 -0.566 1.00 3.03 H new ATOM 0 HG3 PRO A 574 -7.874 7.438 -1.543 1.00 3.03 H new ATOM 0 HD2 PRO A 574 -6.697 6.618 0.772 1.00 5.14 H new ATOM 0 HD3 PRO A 574 -6.931 5.521 -0.574 1.00 5.14 H new ATOM 553 N GLN A 575 -3.729 8.657 0.208 1.00 33.14 N ATOM 554 CA GLN A 575 -3.006 9.778 0.796 1.00 54.25 C ATOM 555 C GLN A 575 -1.794 9.293 1.583 1.00 25.23 C ATOM 556 O GLN A 575 -0.913 10.079 1.936 1.00 35.43 O ATOM 557 CB GLN A 575 -3.930 10.588 1.707 1.00 55.22 C ATOM 558 CG GLN A 575 -4.251 9.893 3.020 1.00 33.30 C ATOM 559 CD GLN A 575 -5.311 10.621 3.823 1.00 52.14 C ATOM 560 OE1 GLN A 575 -4.998 11.410 4.715 1.00 60.15 O ATOM 561 NE2 GLN A 575 -6.575 10.361 3.508 1.00 34.32 N ATOM 0 H GLN A 575 -4.197 8.055 0.886 1.00 33.14 H new ATOM 0 HA GLN A 575 -2.657 10.417 -0.015 1.00 54.25 H new ATOM 0 HB2 GLN A 575 -3.465 11.551 1.919 1.00 55.22 H new ATOM 0 HB3 GLN A 575 -4.860 10.793 1.177 1.00 55.22 H new ATOM 0 HG2 GLN A 575 -4.590 8.877 2.816 1.00 33.30 H new ATOM 0 HG3 GLN A 575 -3.342 9.812 3.615 1.00 33.30 H new ATOM 0 HE21 GLN A 575 -6.789 9.700 2.761 1.00 34.32 H new ATOM 0 HE22 GLN A 575 -7.332 10.823 4.013 1.00 34.32 H new ATOM 570 N LEU A 576 -1.754 7.993 1.856 1.00 54.33 N ATOM 571 CA LEU A 576 -0.649 7.401 2.603 1.00 14.02 C ATOM 572 C LEU A 576 -0.032 6.239 1.832 1.00 11.12 C ATOM 573 O LEU A 576 -0.670 5.205 1.630 1.00 13.30 O ATOM 574 CB LEU A 576 -1.134 6.920 3.972 1.00 53.14 C ATOM 575 CG LEU A 576 -0.546 7.643 5.184 1.00 52.01 C ATOM 576 CD1 LEU A 576 -1.013 6.988 6.474 1.00 1.13 C ATOM 577 CD2 LEU A 576 0.974 7.658 5.111 1.00 75.13 C ATOM 0 H LEU A 576 -2.474 7.329 1.571 1.00 54.33 H new ATOM 0 HA LEU A 576 0.115 8.166 2.743 1.00 14.02 H new ATOM 0 HB2 LEU A 576 -2.219 7.019 4.006 1.00 53.14 H new ATOM 0 HB3 LEU A 576 -0.908 5.858 4.063 1.00 53.14 H new ATOM 0 HG LEU A 576 -0.900 8.674 5.175 1.00 52.01 H new ATOM 0 HD11 LEU A 576 -0.585 7.516 7.326 1.00 1.13 H new ATOM 0 HD12 LEU A 576 -2.101 7.030 6.531 1.00 1.13 H new ATOM 0 HD13 LEU A 576 -0.689 5.947 6.492 1.00 1.13 H new ATOM 0 HD21 LEU A 576 1.375 8.177 5.982 1.00 75.13 H new ATOM 0 HD22 LEU A 576 1.348 6.634 5.095 1.00 75.13 H new ATOM 0 HD23 LEU A 576 1.290 8.174 4.204 1.00 75.13 H new ATOM 589 N LEU A 577 1.213 6.415 1.405 1.00 43.20 N ATOM 590 CA LEU A 577 1.919 5.380 0.658 1.00 65.13 C ATOM 591 C LEU A 577 3.295 5.114 1.263 1.00 50.35 C ATOM 592 O LEU A 577 4.259 5.824 0.971 1.00 74.20 O ATOM 593 CB LEU A 577 2.064 5.790 -0.808 1.00 23.12 C ATOM 594 CG LEU A 577 0.785 5.757 -1.643 1.00 73.25 C ATOM 595 CD1 LEU A 577 0.094 4.409 -1.510 1.00 30.11 C ATOM 596 CD2 LEU A 577 -0.153 6.882 -1.229 1.00 32.14 C ATOM 0 H LEU A 577 1.755 7.265 1.563 1.00 43.20 H new ATOM 0 HA LEU A 577 1.334 4.462 0.715 1.00 65.13 H new ATOM 0 HB2 LEU A 577 2.471 6.800 -0.843 1.00 23.12 H new ATOM 0 HB3 LEU A 577 2.797 5.134 -1.277 1.00 23.12 H new ATOM 0 HG LEU A 577 1.055 5.902 -2.689 1.00 73.25 H new ATOM 0 HD11 LEU A 577 -0.815 4.405 -2.112 1.00 30.11 H new ATOM 0 HD12 LEU A 577 0.763 3.621 -1.857 1.00 30.11 H new ATOM 0 HD13 LEU A 577 -0.162 4.233 -0.465 1.00 30.11 H new ATOM 0 HD21 LEU A 577 -1.058 6.842 -1.835 1.00 32.14 H new ATOM 0 HD22 LEU A 577 -0.415 6.769 -0.177 1.00 32.14 H new ATOM 0 HD23 LEU A 577 0.342 7.842 -1.378 1.00 32.14 H new ATOM 608 N ASP A 578 3.380 4.088 2.102 1.00 13.54 N ATOM 609 CA ASP A 578 4.638 3.727 2.744 1.00 13.43 C ATOM 610 C ASP A 578 4.936 2.244 2.558 1.00 21.41 C ATOM 611 O ASP A 578 4.036 1.418 2.409 1.00 72.03 O ATOM 612 CB ASP A 578 4.590 4.067 4.235 1.00 53.25 C ATOM 613 CG ASP A 578 5.264 5.388 4.550 1.00 51.54 C ATOM 614 OD1 ASP A 578 5.038 6.364 3.802 1.00 14.15 O ATOM 615 OD2 ASP A 578 6.019 5.448 5.542 1.00 22.53 O ATOM 0 H ASP A 578 2.592 3.491 2.354 1.00 13.54 H new ATOM 0 HA ASP A 578 5.436 4.302 2.274 1.00 13.43 H new ATOM 0 HB2 ASP A 578 3.551 4.105 4.563 1.00 53.25 H new ATOM 0 HB3 ASP A 578 5.074 3.271 4.802 1.00 53.25 H new ATOM 621 N PRO A 579 6.232 1.895 2.565 1.00 0.44 N ATOM 622 CA PRO A 579 6.680 0.510 2.397 1.00 33.32 C ATOM 623 C PRO A 579 6.338 -0.361 3.602 1.00 13.34 C ATOM 624 O PRO A 579 5.789 -1.452 3.455 1.00 1.21 O ATOM 625 CB PRO A 579 8.197 0.643 2.248 1.00 32.21 C ATOM 626 CG PRO A 579 8.536 1.915 2.945 1.00 24.13 C ATOM 627 CD PRO A 579 7.358 2.827 2.739 1.00 63.45 C ATOM 0 HA PRO A 579 6.195 0.026 1.549 1.00 33.32 H new ATOM 0 HB2 PRO A 579 8.715 -0.205 2.697 1.00 32.21 H new ATOM 0 HB3 PRO A 579 8.490 0.676 1.199 1.00 32.21 H new ATOM 0 HG2 PRO A 579 8.715 1.743 4.006 1.00 24.13 H new ATOM 0 HG3 PRO A 579 9.446 2.354 2.535 1.00 24.13 H new ATOM 0 HD2 PRO A 579 7.206 3.486 3.594 1.00 63.45 H new ATOM 0 HD3 PRO A 579 7.491 3.464 1.865 1.00 63.45 H new ATOM 635 N GLN A 580 6.664 0.131 4.794 1.00 61.14 N ATOM 636 CA GLN A 580 6.391 -0.603 6.024 1.00 41.33 C ATOM 637 C GLN A 580 4.938 -0.424 6.452 1.00 65.44 C ATOM 638 O GLN A 580 4.244 -1.398 6.741 1.00 64.42 O ATOM 639 CB GLN A 580 7.326 -0.134 7.140 1.00 4.41 C ATOM 640 CG GLN A 580 8.743 -0.671 7.014 1.00 51.44 C ATOM 641 CD GLN A 580 9.795 0.386 7.291 1.00 35.03 C ATOM 642 OE1 GLN A 580 10.678 0.193 8.126 1.00 2.11 O ATOM 643 NE2 GLN A 580 9.704 1.510 6.590 1.00 62.32 N ATOM 0 H GLN A 580 7.117 1.034 4.933 1.00 61.14 H new ATOM 0 HA GLN A 580 6.567 -1.662 5.834 1.00 41.33 H new ATOM 0 HB2 GLN A 580 7.358 0.956 7.141 1.00 4.41 H new ATOM 0 HB3 GLN A 580 6.914 -0.442 8.101 1.00 4.41 H new ATOM 0 HG2 GLN A 580 8.876 -1.501 7.708 1.00 51.44 H new ATOM 0 HG3 GLN A 580 8.889 -1.069 6.010 1.00 51.44 H new ATOM 0 HE21 GLN A 580 8.955 1.626 5.908 1.00 62.32 H new ATOM 0 HE22 GLN A 580 10.383 2.257 6.734 1.00 62.32 H new ATOM 652 N GLN A 581 4.487 0.824 6.491 1.00 71.04 N ATOM 653 CA GLN A 581 3.116 1.129 6.885 1.00 25.31 C ATOM 654 C GLN A 581 2.123 0.273 6.106 1.00 43.12 C ATOM 655 O GLN A 581 1.056 -0.074 6.613 1.00 33.24 O ATOM 656 CB GLN A 581 2.816 2.612 6.661 1.00 25.31 C ATOM 657 CG GLN A 581 2.126 3.278 7.841 1.00 71.35 C ATOM 658 CD GLN A 581 2.027 4.782 7.685 1.00 10.34 C ATOM 659 OE1 GLN A 581 0.955 5.366 7.844 1.00 34.21 O ATOM 660 NE2 GLN A 581 3.149 5.421 7.372 1.00 73.23 N ATOM 0 H GLN A 581 5.050 1.641 6.255 1.00 71.04 H new ATOM 0 HA GLN A 581 3.010 0.901 7.946 1.00 25.31 H new ATOM 0 HB2 GLN A 581 3.749 3.136 6.454 1.00 25.31 H new ATOM 0 HB3 GLN A 581 2.188 2.718 5.776 1.00 25.31 H new ATOM 0 HG2 GLN A 581 1.125 2.862 7.954 1.00 71.35 H new ATOM 0 HG3 GLN A 581 2.673 3.046 8.755 1.00 71.35 H new ATOM 0 HE21 GLN A 581 4.016 4.898 7.249 1.00 73.23 H new ATOM 0 HE22 GLN A 581 3.143 6.434 7.254 1.00 73.23 H new ATOM 669 N LEU A 582 2.480 -0.064 4.872 1.00 42.35 N ATOM 670 CA LEU A 582 1.620 -0.879 4.022 1.00 74.32 C ATOM 671 C LEU A 582 1.579 -2.322 4.513 1.00 62.42 C ATOM 672 O LEU A 582 0.532 -2.967 4.493 1.00 55.25 O ATOM 673 CB LEU A 582 2.110 -0.834 2.574 1.00 52.10 C ATOM 674 CG LEU A 582 1.500 0.256 1.692 1.00 41.12 C ATOM 675 CD1 LEU A 582 2.170 0.276 0.327 1.00 41.33 C ATOM 676 CD2 LEU A 582 -0.001 0.048 1.549 1.00 42.35 C ATOM 0 H LEU A 582 3.360 0.215 4.438 1.00 42.35 H new ATOM 0 HA LEU A 582 0.611 -0.470 4.070 1.00 74.32 H new ATOM 0 HB2 LEU A 582 3.192 -0.704 2.582 1.00 52.10 H new ATOM 0 HB3 LEU A 582 1.909 -1.801 2.113 1.00 52.10 H new ATOM 0 HG LEU A 582 1.669 1.221 2.170 1.00 41.12 H new ATOM 0 HD11 LEU A 582 1.723 1.058 -0.286 1.00 41.33 H new ATOM 0 HD12 LEU A 582 3.235 0.474 0.447 1.00 41.33 H new ATOM 0 HD13 LEU A 582 2.033 -0.690 -0.160 1.00 41.33 H new ATOM 0 HD21 LEU A 582 -0.419 0.833 0.918 1.00 42.35 H new ATOM 0 HD22 LEU A 582 -0.192 -0.924 1.094 1.00 42.35 H new ATOM 0 HD23 LEU A 582 -0.469 0.086 2.533 1.00 42.35 H new ATOM 688 N ALA A 583 2.728 -2.825 4.955 1.00 40.55 N ATOM 689 CA ALA A 583 2.824 -4.190 5.454 1.00 62.30 C ATOM 690 C ALA A 583 1.783 -4.452 6.538 1.00 60.34 C ATOM 691 O ALA A 583 1.238 -5.551 6.634 1.00 33.42 O ATOM 692 CB ALA A 583 4.223 -4.460 5.988 1.00 0.01 C ATOM 0 H ALA A 583 3.606 -2.306 4.977 1.00 40.55 H new ATOM 0 HA ALA A 583 2.626 -4.869 4.624 1.00 62.30 H new ATOM 0 HB1 ALA A 583 4.280 -5.484 6.358 1.00 0.01 H new ATOM 0 HB2 ALA A 583 4.951 -4.322 5.188 1.00 0.01 H new ATOM 0 HB3 ALA A 583 4.442 -3.768 6.801 1.00 0.01 H new ATOM 698 N ALA A 584 1.512 -3.436 7.350 1.00 63.02 N ATOM 699 CA ALA A 584 0.535 -3.557 8.425 1.00 4.21 C ATOM 700 C ALA A 584 -0.873 -3.742 7.869 1.00 64.52 C ATOM 701 O ALA A 584 -1.613 -4.620 8.312 1.00 31.12 O ATOM 702 CB ALA A 584 0.590 -2.334 9.329 1.00 45.05 C ATOM 0 H ALA A 584 1.955 -2.520 7.284 1.00 63.02 H new ATOM 0 HA ALA A 584 0.785 -4.441 9.012 1.00 4.21 H new ATOM 0 HB1 ALA A 584 -0.145 -2.438 10.127 1.00 45.05 H new ATOM 0 HB2 ALA A 584 1.586 -2.246 9.762 1.00 45.05 H new ATOM 0 HB3 ALA A 584 0.368 -1.440 8.746 1.00 45.05 H new ATOM 708 N GLU A 585 -1.236 -2.911 6.897 1.00 24.41 N ATOM 709 CA GLU A 585 -2.556 -2.984 6.283 1.00 62.32 C ATOM 710 C GLU A 585 -2.725 -4.289 5.510 1.00 4.10 C ATOM 711 O GLU A 585 -3.755 -4.956 5.613 1.00 3.24 O ATOM 712 CB GLU A 585 -2.775 -1.793 5.349 1.00 64.14 C ATOM 713 CG GLU A 585 -3.128 -0.506 6.075 1.00 72.51 C ATOM 714 CD GLU A 585 -1.903 0.297 6.468 1.00 35.14 C ATOM 715 OE1 GLU A 585 -1.418 0.119 7.604 1.00 23.34 O ATOM 716 OE2 GLU A 585 -1.432 1.104 5.640 1.00 1.12 O ATOM 0 H GLU A 585 -0.634 -2.180 6.518 1.00 24.41 H new ATOM 0 HA GLU A 585 -3.301 -2.954 7.078 1.00 62.32 H new ATOM 0 HB2 GLU A 585 -1.871 -1.632 4.761 1.00 64.14 H new ATOM 0 HB3 GLU A 585 -3.573 -2.035 4.647 1.00 64.14 H new ATOM 0 HG2 GLU A 585 -3.768 0.103 5.436 1.00 72.51 H new ATOM 0 HG3 GLU A 585 -3.704 -0.744 6.969 1.00 72.51 H new ATOM 724 N ILE A 586 -1.705 -4.647 4.734 1.00 14.24 N ATOM 725 CA ILE A 586 -1.741 -5.871 3.944 1.00 30.21 C ATOM 726 C ILE A 586 -1.904 -7.097 4.837 1.00 2.10 C ATOM 727 O ILE A 586 -2.432 -8.123 4.410 1.00 74.22 O ATOM 728 CB ILE A 586 -0.464 -6.031 3.098 1.00 21.03 C ATOM 729 CG1 ILE A 586 -0.292 -4.833 2.162 1.00 32.32 C ATOM 730 CG2 ILE A 586 -0.514 -7.329 2.305 1.00 2.51 C ATOM 731 CD1 ILE A 586 1.119 -4.670 1.644 1.00 65.15 C ATOM 0 H ILE A 586 -0.845 -4.107 4.637 1.00 14.24 H new ATOM 0 HA ILE A 586 -2.601 -5.793 3.279 1.00 30.21 H new ATOM 0 HB ILE A 586 0.396 -6.070 3.767 1.00 21.03 H new ATOM 0 HG12 ILE A 586 -0.971 -4.943 1.316 1.00 32.32 H new ATOM 0 HG13 ILE A 586 -0.584 -3.925 2.690 1.00 32.32 H new ATOM 0 HG21 ILE A 586 0.395 -7.428 1.712 1.00 2.51 H new ATOM 0 HG22 ILE A 586 -0.593 -8.172 2.991 1.00 2.51 H new ATOM 0 HG23 ILE A 586 -1.380 -7.318 1.643 1.00 2.51 H new ATOM 0 HD11 ILE A 586 1.167 -3.802 0.987 1.00 65.15 H new ATOM 0 HD12 ILE A 586 1.801 -4.529 2.483 1.00 65.15 H new ATOM 0 HD13 ILE A 586 1.408 -5.562 1.088 1.00 65.15 H new ATOM 743 N LEU A 587 -1.448 -6.982 6.079 1.00 24.23 N ATOM 744 CA LEU A 587 -1.544 -8.081 7.034 1.00 5.53 C ATOM 745 C LEU A 587 -2.991 -8.308 7.458 1.00 43.54 C ATOM 746 O LEU A 587 -3.385 -9.428 7.784 1.00 63.13 O ATOM 747 CB LEU A 587 -0.679 -7.791 8.264 1.00 55.04 C ATOM 748 CG LEU A 587 0.785 -8.222 8.171 1.00 33.45 C ATOM 749 CD1 LEU A 587 1.605 -7.562 9.267 1.00 4.14 C ATOM 750 CD2 LEU A 587 0.900 -9.737 8.256 1.00 40.15 C ATOM 0 H LEU A 587 -1.008 -6.139 6.449 1.00 24.23 H new ATOM 0 HA LEU A 587 -1.181 -8.986 6.547 1.00 5.53 H new ATOM 0 HB2 LEU A 587 -0.710 -6.719 8.461 1.00 55.04 H new ATOM 0 HB3 LEU A 587 -1.129 -8.286 9.125 1.00 55.04 H new ATOM 0 HG LEU A 587 1.179 -7.901 7.207 1.00 33.45 H new ATOM 0 HD11 LEU A 587 2.644 -7.880 9.185 1.00 4.14 H new ATOM 0 HD12 LEU A 587 1.548 -6.479 9.162 1.00 4.14 H new ATOM 0 HD13 LEU A 587 1.212 -7.853 10.241 1.00 4.14 H new ATOM 0 HD21 LEU A 587 1.949 -10.027 8.188 1.00 40.15 H new ATOM 0 HD22 LEU A 587 0.489 -10.080 9.206 1.00 40.15 H new ATOM 0 HD23 LEU A 587 0.344 -10.191 7.435 1.00 40.15 H new ATOM 762 N SER A 588 -3.780 -7.238 7.450 1.00 31.50 N ATOM 763 CA SER A 588 -5.184 -7.321 7.835 1.00 41.31 C ATOM 764 C SER A 588 -6.030 -7.868 6.689 1.00 12.44 C ATOM 765 O SER A 588 -6.889 -8.727 6.892 1.00 64.20 O ATOM 766 CB SER A 588 -5.702 -5.943 8.254 1.00 43.23 C ATOM 767 OG SER A 588 -7.105 -5.963 8.447 1.00 72.54 O ATOM 0 H SER A 588 -3.471 -6.304 7.181 1.00 31.50 H new ATOM 0 HA SER A 588 -5.264 -8.004 8.681 1.00 41.31 H new ATOM 0 HB2 SER A 588 -5.210 -5.630 9.175 1.00 43.23 H new ATOM 0 HB3 SER A 588 -5.447 -5.208 7.491 1.00 43.23 H new ATOM 0 HG SER A 588 -7.411 -5.072 8.716 1.00 72.54 H new ATOM 773 N TYR A 589 -5.782 -7.364 5.486 1.00 12.20 N ATOM 774 CA TYR A 589 -6.522 -7.799 4.308 1.00 40.34 C ATOM 775 C TYR A 589 -6.316 -9.289 4.055 1.00 44.15 C ATOM 776 O TYR A 589 -7.252 -10.008 3.702 1.00 45.42 O ATOM 777 CB TYR A 589 -6.085 -6.996 3.080 1.00 33.42 C ATOM 778 CG TYR A 589 -6.781 -7.415 1.805 1.00 73.23 C ATOM 779 CD1 TYR A 589 -8.155 -7.271 1.660 1.00 51.33 C ATOM 780 CD2 TYR A 589 -6.064 -7.954 0.744 1.00 71.20 C ATOM 781 CE1 TYR A 589 -8.795 -7.652 0.496 1.00 53.12 C ATOM 782 CE2 TYR A 589 -6.695 -8.337 -0.424 1.00 12.20 C ATOM 783 CZ TYR A 589 -8.060 -8.185 -0.543 1.00 14.11 C ATOM 784 OH TYR A 589 -8.694 -8.565 -1.704 1.00 11.21 O ATOM 0 H TYR A 589 -5.074 -6.654 5.301 1.00 12.20 H new ATOM 0 HA TYR A 589 -7.582 -7.623 4.491 1.00 40.34 H new ATOM 0 HB2 TYR A 589 -6.279 -5.939 3.260 1.00 33.42 H new ATOM 0 HB3 TYR A 589 -5.008 -7.105 2.949 1.00 33.42 H new ATOM 0 HD1 TYR A 589 -8.733 -6.854 2.471 1.00 51.33 H new ATOM 0 HD2 TYR A 589 -4.995 -8.076 0.834 1.00 71.20 H new ATOM 0 HE1 TYR A 589 -9.864 -7.533 0.400 1.00 53.12 H new ATOM 0 HE2 TYR A 589 -6.122 -8.753 -1.239 1.00 12.20 H new ATOM 0 HH TYR A 589 -8.034 -8.919 -2.336 1.00 11.21 H new ATOM 794 N LYS A 590 -5.082 -9.748 4.237 1.00 63.22 N ATOM 795 CA LYS A 590 -4.749 -11.152 4.031 1.00 32.42 C ATOM 796 C LYS A 590 -5.613 -12.051 4.912 1.00 55.44 C ATOM 797 O LYS A 590 -6.282 -12.959 4.419 1.00 15.20 O ATOM 798 CB LYS A 590 -3.269 -11.397 4.333 1.00 30.04 C ATOM 799 CG LYS A 590 -2.662 -12.528 3.522 1.00 72.32 C ATOM 800 CD LYS A 590 -2.098 -12.027 2.202 1.00 13.01 C ATOM 801 CE LYS A 590 -3.177 -11.940 1.132 1.00 31.34 C ATOM 802 NZ LYS A 590 -2.601 -11.973 -0.240 1.00 40.34 N ATOM 0 H LYS A 590 -4.296 -9.167 4.527 1.00 63.22 H new ATOM 0 HA LYS A 590 -4.946 -11.396 2.987 1.00 32.42 H new ATOM 0 HB2 LYS A 590 -2.711 -10.481 4.138 1.00 30.04 H new ATOM 0 HB3 LYS A 590 -3.155 -11.620 5.394 1.00 30.04 H new ATOM 0 HG2 LYS A 590 -1.871 -13.007 4.099 1.00 72.32 H new ATOM 0 HG3 LYS A 590 -3.420 -13.287 3.330 1.00 72.32 H new ATOM 0 HD2 LYS A 590 -1.648 -11.045 2.347 1.00 13.01 H new ATOM 0 HD3 LYS A 590 -1.305 -12.695 1.867 1.00 13.01 H new ATOM 0 HE2 LYS A 590 -3.876 -12.768 1.253 1.00 31.34 H new ATOM 0 HE3 LYS A 590 -3.747 -11.020 1.265 1.00 31.34 H new ATOM 0 HZ1 LYS A 590 -3.363 -12.116 -0.933 1.00 40.34 H new ATOM 0 HZ2 LYS A 590 -2.120 -11.072 -0.436 1.00 40.34 H new ATOM 0 HZ3 LYS A 590 -1.917 -12.754 -0.311 1.00 40.34 H new ATOM 816 N SER A 591 -5.594 -11.790 6.215 1.00 75.45 N ATOM 817 CA SER A 591 -6.374 -12.577 7.163 1.00 54.41 C ATOM 818 C SER A 591 -7.865 -12.478 6.853 1.00 33.23 C ATOM 819 O SER A 591 -8.616 -13.430 7.060 1.00 32.55 O ATOM 820 CB SER A 591 -6.107 -12.103 8.593 1.00 74.23 C ATOM 821 OG SER A 591 -6.978 -12.738 9.512 1.00 31.45 O ATOM 0 H SER A 591 -5.047 -11.040 6.638 1.00 75.45 H new ATOM 0 HA SER A 591 -6.069 -13.619 7.070 1.00 54.41 H new ATOM 0 HB2 SER A 591 -5.072 -12.315 8.862 1.00 74.23 H new ATOM 0 HB3 SER A 591 -6.237 -11.022 8.651 1.00 74.23 H new ATOM 0 HG SER A 591 -6.786 -12.419 10.419 1.00 31.45 H new ATOM 827 N GLN A 592 -8.285 -11.319 6.356 1.00 0.45 N ATOM 828 CA GLN A 592 -9.686 -11.096 6.020 1.00 41.41 C ATOM 829 C GLN A 592 -10.140 -12.048 4.918 1.00 2.22 C ATOM 830 O GLN A 592 -11.304 -12.445 4.866 1.00 22.25 O ATOM 831 CB GLN A 592 -9.901 -9.646 5.578 1.00 73.41 C ATOM 832 CG GLN A 592 -10.194 -8.697 6.729 1.00 33.20 C ATOM 833 CD GLN A 592 -10.910 -7.439 6.279 1.00 20.22 C ATOM 834 OE1 GLN A 592 -10.432 -6.326 6.502 1.00 61.40 O ATOM 835 NE2 GLN A 592 -12.063 -7.608 5.642 1.00 63.52 N ATOM 0 H GLN A 592 -7.676 -10.521 6.177 1.00 0.45 H new ATOM 0 HA GLN A 592 -10.283 -11.290 6.911 1.00 41.41 H new ATOM 0 HB2 GLN A 592 -9.012 -9.300 5.050 1.00 73.41 H new ATOM 0 HB3 GLN A 592 -10.728 -9.610 4.869 1.00 73.41 H new ATOM 0 HG2 GLN A 592 -10.803 -9.211 7.473 1.00 33.20 H new ATOM 0 HG3 GLN A 592 -9.258 -8.423 7.217 1.00 33.20 H new ATOM 0 HE21 GLN A 592 -12.422 -8.549 5.478 1.00 63.52 H new ATOM 0 HE22 GLN A 592 -12.589 -6.797 5.316 1.00 63.52 H new ATOM 844 N HIS A 593 -9.212 -12.410 4.036 1.00 32.04 N ATOM 845 CA HIS A 593 -9.517 -13.316 2.935 1.00 5.34 C ATOM 846 C HIS A 593 -8.735 -14.619 3.071 1.00 31.24 C ATOM 847 O HIS A 593 -8.244 -15.167 2.084 1.00 33.13 O ATOM 848 CB HIS A 593 -9.193 -12.652 1.596 1.00 74.00 C ATOM 849 CG HIS A 593 -10.215 -11.644 1.165 1.00 34.52 C ATOM 850 ND1 HIS A 593 -10.650 -11.524 -0.137 1.00 74.42 N ATOM 851 CD2 HIS A 593 -10.890 -10.709 1.874 1.00 64.42 C ATOM 852 CE1 HIS A 593 -11.547 -10.557 -0.212 1.00 44.32 C ATOM 853 NE2 HIS A 593 -11.710 -10.046 0.995 1.00 72.41 N ATOM 0 H HIS A 593 -8.244 -12.090 4.063 1.00 32.04 H new ATOM 0 HA HIS A 593 -10.582 -13.546 2.971 1.00 5.34 H new ATOM 0 HB2 HIS A 593 -8.221 -12.164 1.667 1.00 74.00 H new ATOM 0 HB3 HIS A 593 -9.108 -13.422 0.829 1.00 74.00 H new ATOM 0 HD2 HIS A 593 -10.800 -10.520 2.934 1.00 64.42 H new ATOM 0 HE1 HIS A 593 -12.060 -10.239 -1.108 1.00 44.32 H new ATOM 0 HE2 HIS A 593 -12.343 -9.283 1.235 1.00 72.41 H new ATOM 862 N LEU A 594 -8.622 -15.109 4.301 1.00 21.22 N ATOM 863 CA LEU A 594 -7.899 -16.348 4.568 1.00 52.12 C ATOM 864 C LEU A 594 -8.746 -17.562 4.200 1.00 61.44 C ATOM 865 O LEU A 594 -9.975 -17.500 4.207 1.00 44.11 O ATOM 866 CB LEU A 594 -7.496 -16.420 6.041 1.00 11.54 C ATOM 867 CG LEU A 594 -6.252 -17.251 6.358 1.00 53.33 C ATOM 868 CD1 LEU A 594 -5.040 -16.696 5.626 1.00 52.40 C ATOM 869 CD2 LEU A 594 -6.002 -17.285 7.859 1.00 63.45 C ATOM 0 H LEU A 594 -9.022 -14.667 5.129 1.00 21.22 H new ATOM 0 HA LEU A 594 -7.000 -16.355 3.952 1.00 52.12 H new ATOM 0 HB2 LEU A 594 -7.331 -15.405 6.402 1.00 11.54 H new ATOM 0 HB3 LEU A 594 -8.334 -16.827 6.607 1.00 11.54 H new ATOM 0 HG LEU A 594 -6.422 -18.272 6.015 1.00 53.33 H new ATOM 0 HD11 LEU A 594 -4.164 -17.299 5.863 1.00 52.40 H new ATOM 0 HD12 LEU A 594 -5.220 -16.724 4.551 1.00 52.40 H new ATOM 0 HD13 LEU A 594 -4.867 -15.666 5.938 1.00 52.40 H new ATOM 0 HD21 LEU A 594 -5.113 -17.881 8.066 1.00 63.45 H new ATOM 0 HD22 LEU A 594 -5.852 -16.270 8.226 1.00 63.45 H new ATOM 0 HD23 LEU A 594 -6.862 -17.729 8.361 1.00 63.45 H new ATOM 881 N SER A 595 -8.079 -18.668 3.881 1.00 44.42 N ATOM 882 CA SER A 595 -8.770 -19.896 3.508 1.00 0.13 C ATOM 883 C SER A 595 -7.993 -21.121 3.982 1.00 14.41 C ATOM 884 O SER A 595 -6.763 -21.137 3.954 1.00 74.13 O ATOM 885 CB SER A 595 -8.966 -19.958 1.992 1.00 4.41 C ATOM 886 OG SER A 595 -7.807 -20.459 1.349 1.00 55.14 O ATOM 0 H SER A 595 -7.061 -18.738 3.874 1.00 44.42 H new ATOM 0 HA SER A 595 -9.746 -19.895 3.993 1.00 0.13 H new ATOM 0 HB2 SER A 595 -9.819 -20.594 1.758 1.00 4.41 H new ATOM 0 HB3 SER A 595 -9.196 -18.963 1.611 1.00 4.41 H new ATOM 0 HG SER A 595 -7.958 -20.491 0.381 1.00 55.14 H new ATOM 892 N GLU A 596 -8.721 -22.144 4.418 1.00 15.41 N ATOM 893 CA GLU A 596 -8.101 -23.373 4.898 1.00 34.33 C ATOM 894 C GLU A 596 -8.683 -24.590 4.188 1.00 74.42 C ATOM 895 O GLU A 596 -9.851 -24.931 4.374 1.00 12.25 O ATOM 896 CB GLU A 596 -8.294 -23.510 6.410 1.00 21.01 C ATOM 897 CG GLU A 596 -7.458 -22.534 7.221 1.00 33.22 C ATOM 898 CD GLU A 596 -6.023 -22.993 7.388 1.00 3.42 C ATOM 899 OE1 GLU A 596 -5.675 -24.060 6.839 1.00 4.23 O ATOM 900 OE2 GLU A 596 -5.248 -22.285 8.066 1.00 31.53 O ATOM 0 H GLU A 596 -9.741 -22.146 4.449 1.00 15.41 H new ATOM 0 HA GLU A 596 -7.035 -23.322 4.678 1.00 34.33 H new ATOM 0 HB2 GLU A 596 -9.347 -23.359 6.649 1.00 21.01 H new ATOM 0 HB3 GLU A 596 -8.042 -24.527 6.709 1.00 21.01 H new ATOM 0 HG2 GLU A 596 -7.469 -21.559 6.733 1.00 33.22 H new ATOM 0 HG3 GLU A 596 -7.910 -22.404 8.204 1.00 33.22 H new TER 908 GLU A 596