USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 514 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -166:sc= -0.611 USER MOD Single : A 18 MET CE :methyl -129:sc= 0 (180deg=-0.0204) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.3) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 59:sc= -1.59 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -4.35! C(o=-4.3!,f=-5.5!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.01 X(o=-1,f=-0.71) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc=-0.00963 USER MOD Single : A 59 ASN : amide:sc= -1.87 K(o=-1.9,f=-6.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.518 15.778 1.753 1.00 0.00 N ATOM 2 CA GLY A 1 37.871 15.342 2.203 1.00 0.00 C ATOM 3 C GLY A 1 38.121 15.840 3.628 1.00 0.00 C ATOM 4 O GLY A 1 38.252 17.027 3.864 1.00 0.00 O ATOM 0 H1 GLY A 1 36.348 15.439 0.784 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.796 15.383 2.389 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.464 16.816 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.944 14.255 2.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.634 15.735 1.530 1.00 0.00 H new ATOM 10 N SER A 2 38.186 14.941 4.576 1.00 0.00 N ATOM 11 CA SER A 2 38.428 15.352 5.992 1.00 0.00 C ATOM 12 C SER A 2 39.773 14.808 6.478 1.00 0.00 C ATOM 13 O SER A 2 39.897 14.350 7.599 1.00 0.00 O ATOM 14 CB SER A 2 37.279 14.730 6.786 1.00 0.00 C ATOM 15 OG SER A 2 36.098 15.493 6.578 1.00 0.00 O ATOM 0 H SER A 2 38.082 13.937 4.430 1.00 0.00 H new ATOM 0 HA SER A 2 38.464 16.435 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 2 37.120 13.699 6.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 37.527 14.704 7.847 1.00 0.00 H new ATOM 0 HG SER A 2 35.359 15.096 7.084 1.00 0.00 H new ATOM 21 N MET A 3 40.780 14.857 5.643 1.00 0.00 N ATOM 22 CA MET A 3 42.124 14.344 6.048 1.00 0.00 C ATOM 23 C MET A 3 43.229 15.163 5.373 1.00 0.00 C ATOM 24 O MET A 3 43.013 15.788 4.351 1.00 0.00 O ATOM 25 CB MET A 3 42.160 12.886 5.573 1.00 0.00 C ATOM 26 CG MET A 3 41.939 12.819 4.058 1.00 0.00 C ATOM 27 SD MET A 3 42.357 11.164 3.459 1.00 0.00 S ATOM 28 CE MET A 3 42.936 11.656 1.817 1.00 0.00 C ATOM 0 H MET A 3 40.729 15.231 4.696 1.00 0.00 H new ATOM 0 HA MET A 3 42.287 14.421 7.123 1.00 0.00 H new ATOM 0 HB2 MET A 3 43.119 12.436 5.828 1.00 0.00 H new ATOM 0 HB3 MET A 3 41.391 12.309 6.086 1.00 0.00 H new ATOM 0 HG2 MET A 3 40.901 13.052 3.821 1.00 0.00 H new ATOM 0 HG3 MET A 3 42.555 13.565 3.557 1.00 0.00 H new ATOM 0 HE1 MET A 3 43.250 10.772 1.262 1.00 0.00 H new ATOM 0 HE2 MET A 3 42.128 12.153 1.280 1.00 0.00 H new ATOM 0 HE3 MET A 3 43.779 12.339 1.918 1.00 0.00 H new ATOM 38 N SER A 4 44.409 15.161 5.939 1.00 0.00 N ATOM 39 CA SER A 4 45.535 15.936 5.339 1.00 0.00 C ATOM 40 C SER A 4 46.321 15.058 4.360 1.00 0.00 C ATOM 41 O SER A 4 46.703 13.949 4.682 1.00 0.00 O ATOM 42 CB SER A 4 46.414 16.338 6.523 1.00 0.00 C ATOM 43 OG SER A 4 47.222 17.448 6.152 1.00 0.00 O ATOM 0 H SER A 4 44.641 14.654 6.793 1.00 0.00 H new ATOM 0 HA SER A 4 45.186 16.803 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 4 45.793 16.596 7.381 1.00 0.00 H new ATOM 0 HB3 SER A 4 47.043 15.500 6.825 1.00 0.00 H new ATOM 0 HG SER A 4 47.786 17.710 6.910 1.00 0.00 H new ATOM 49 N THR A 5 46.560 15.549 3.171 1.00 0.00 N ATOM 50 CA THR A 5 47.320 14.750 2.163 1.00 0.00 C ATOM 51 C THR A 5 48.719 15.339 1.970 1.00 0.00 C ATOM 52 O THR A 5 49.705 14.626 1.953 1.00 0.00 O ATOM 53 CB THR A 5 46.507 14.864 0.874 1.00 0.00 C ATOM 54 OG1 THR A 5 45.147 14.553 1.145 1.00 0.00 O ATOM 55 CG2 THR A 5 47.057 13.890 -0.168 1.00 0.00 C ATOM 0 H THR A 5 46.261 16.471 2.854 1.00 0.00 H new ATOM 0 HA THR A 5 47.452 13.713 2.471 1.00 0.00 H new ATOM 0 HB THR A 5 46.578 15.881 0.489 1.00 0.00 H new ATOM 0 HG1 THR A 5 44.624 14.627 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 5 46.476 13.973 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 5 48.100 14.130 -0.376 1.00 0.00 H new ATOM 0 HG23 THR A 5 46.988 12.871 0.214 1.00 0.00 H new ATOM 63 N SER A 6 48.814 16.640 1.822 1.00 0.00 N ATOM 64 CA SER A 6 50.148 17.299 1.626 1.00 0.00 C ATOM 65 C SER A 6 50.914 16.641 0.470 1.00 0.00 C ATOM 66 O SER A 6 50.330 16.004 -0.386 1.00 0.00 O ATOM 67 CB SER A 6 50.896 17.104 2.948 1.00 0.00 C ATOM 68 OG SER A 6 51.634 18.282 3.248 1.00 0.00 O ATOM 0 H SER A 6 48.019 17.279 1.829 1.00 0.00 H new ATOM 0 HA SER A 6 50.044 18.354 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 6 50.190 16.889 3.750 1.00 0.00 H new ATOM 0 HB3 SER A 6 51.568 16.248 2.876 1.00 0.00 H new ATOM 0 HG SER A 6 52.113 18.161 4.095 1.00 0.00 H new ATOM 74 N GLU A 7 52.213 16.792 0.445 1.00 0.00 N ATOM 75 CA GLU A 7 53.023 16.179 -0.649 1.00 0.00 C ATOM 76 C GLU A 7 53.454 14.763 -0.259 1.00 0.00 C ATOM 77 O GLU A 7 54.213 14.570 0.671 1.00 0.00 O ATOM 78 CB GLU A 7 54.243 17.089 -0.797 1.00 0.00 C ATOM 79 CG GLU A 7 53.866 18.317 -1.628 1.00 0.00 C ATOM 80 CD GLU A 7 54.946 19.390 -1.474 1.00 0.00 C ATOM 81 OE1 GLU A 7 55.495 19.499 -0.389 1.00 0.00 O ATOM 82 OE2 GLU A 7 55.206 20.084 -2.443 1.00 0.00 O ATOM 0 H GLU A 7 52.749 17.315 1.137 1.00 0.00 H new ATOM 0 HA GLU A 7 52.462 16.095 -1.580 1.00 0.00 H new ATOM 0 HB2 GLU A 7 54.601 17.397 0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 7 55.058 16.547 -1.278 1.00 0.00 H new ATOM 0 HG2 GLU A 7 53.760 18.041 -2.677 1.00 0.00 H new ATOM 0 HG3 GLU A 7 52.902 18.707 -1.302 1.00 0.00 H new ATOM 89 N LEU A 8 52.974 13.772 -0.969 1.00 0.00 N ATOM 90 CA LEU A 8 53.350 12.362 -0.649 1.00 0.00 C ATOM 91 C LEU A 8 54.307 11.819 -1.715 1.00 0.00 C ATOM 92 O LEU A 8 54.834 12.564 -2.521 1.00 0.00 O ATOM 93 CB LEU A 8 52.030 11.580 -0.650 1.00 0.00 C ATOM 94 CG LEU A 8 51.340 11.704 -2.019 1.00 0.00 C ATOM 95 CD1 LEU A 8 50.817 10.333 -2.459 1.00 0.00 C ATOM 96 CD2 LEU A 8 50.166 12.687 -1.919 1.00 0.00 C ATOM 0 H LEU A 8 52.337 13.880 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 8 53.863 12.278 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 8 52.220 10.531 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 8 51.373 11.960 0.132 1.00 0.00 H new ATOM 0 HG LEU A 8 52.060 12.071 -2.750 1.00 0.00 H new ATOM 0 HD11 LEU A 8 50.329 10.424 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 8 51.649 9.634 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 8 50.100 9.964 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.679 12.773 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 8 49.448 12.323 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 8 50.536 13.665 -1.611 1.00 0.00 H new ATOM 108 N LYS A 9 54.536 10.530 -1.723 1.00 0.00 N ATOM 109 CA LYS A 9 55.461 9.937 -2.736 1.00 0.00 C ATOM 110 C LYS A 9 55.334 8.411 -2.754 1.00 0.00 C ATOM 111 O LYS A 9 55.514 7.751 -1.748 1.00 0.00 O ATOM 112 CB LYS A 9 56.861 10.352 -2.283 1.00 0.00 C ATOM 113 CG LYS A 9 57.812 10.332 -3.482 1.00 0.00 C ATOM 114 CD LYS A 9 57.465 11.481 -4.430 1.00 0.00 C ATOM 115 CE LYS A 9 58.587 11.656 -5.456 1.00 0.00 C ATOM 116 NZ LYS A 9 59.433 12.758 -4.917 1.00 0.00 N ATOM 0 H LYS A 9 54.122 9.863 -1.072 1.00 0.00 H new ATOM 0 HA LYS A 9 55.237 10.281 -3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.832 11.350 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.220 9.674 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 9 58.844 10.426 -3.143 1.00 0.00 H new ATOM 0 HG3 LYS A 9 57.734 9.379 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 9 56.523 11.275 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 9 57.328 12.403 -3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 9 59.162 10.738 -5.573 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.188 11.909 -6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 60.225 12.937 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 58.860 13.621 -4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 59.805 12.486 -3.984 1.00 0.00 H new ATOM 130 N LYS A 10 55.022 7.851 -3.896 1.00 0.00 N ATOM 131 CA LYS A 10 54.880 6.359 -3.994 1.00 0.00 C ATOM 132 C LYS A 10 56.196 5.672 -3.598 1.00 0.00 C ATOM 133 O LYS A 10 57.108 6.310 -3.109 1.00 0.00 O ATOM 134 CB LYS A 10 54.490 6.035 -5.457 1.00 0.00 C ATOM 135 CG LYS A 10 55.336 6.821 -6.469 1.00 0.00 C ATOM 136 CD LYS A 10 54.508 7.963 -7.068 1.00 0.00 C ATOM 137 CE LYS A 10 55.424 9.147 -7.386 1.00 0.00 C ATOM 138 NZ LYS A 10 54.685 9.941 -8.407 1.00 0.00 N ATOM 0 H LYS A 10 54.859 8.359 -4.766 1.00 0.00 H new ATOM 0 HA LYS A 10 54.114 5.990 -3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.612 4.967 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.436 6.266 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.224 7.222 -5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.681 6.156 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.005 7.625 -7.974 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.731 8.269 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.626 9.741 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.387 8.810 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.250 10.772 -8.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.513 9.352 -9.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.776 10.254 -8.012 1.00 0.00 H new ATOM 152 N VAL A 11 56.298 4.376 -3.797 1.00 0.00 N ATOM 153 CA VAL A 11 57.549 3.638 -3.417 1.00 0.00 C ATOM 154 C VAL A 11 57.633 2.324 -4.187 1.00 0.00 C ATOM 155 O VAL A 11 56.662 1.870 -4.756 1.00 0.00 O ATOM 156 CB VAL A 11 57.467 3.337 -1.910 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.805 4.596 -1.112 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.069 2.838 -1.532 1.00 0.00 C ATOM 0 H VAL A 11 55.566 3.796 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 11 58.429 4.237 -3.651 1.00 0.00 H new ATOM 0 HB VAL A 11 58.187 2.554 -1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.746 4.378 -0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.815 4.924 -1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.096 5.386 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.033 2.631 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.331 3.601 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.846 1.926 -2.085 1.00 0.00 H new ATOM 168 N VAL A 12 58.785 1.713 -4.197 1.00 0.00 N ATOM 169 CA VAL A 12 58.953 0.424 -4.925 1.00 0.00 C ATOM 170 C VAL A 12 58.887 -0.739 -3.909 1.00 0.00 C ATOM 171 O VAL A 12 58.774 -0.523 -2.720 1.00 0.00 O ATOM 172 CB VAL A 12 60.351 0.579 -5.592 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.204 -0.697 -5.532 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.168 0.967 -7.053 1.00 0.00 C ATOM 0 H VAL A 12 59.624 2.054 -3.728 1.00 0.00 H new ATOM 0 HA VAL A 12 58.185 0.204 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 12 60.879 1.350 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.164 -0.516 -6.015 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.369 -0.976 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.685 -1.506 -6.047 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.144 1.077 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.601 0.191 -7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.627 1.911 -7.114 1.00 0.00 H new ATOM 184 N ALA A 13 58.981 -1.959 -4.373 1.00 0.00 N ATOM 185 CA ALA A 13 58.951 -3.131 -3.447 1.00 0.00 C ATOM 186 C ALA A 13 60.243 -3.943 -3.604 1.00 0.00 C ATOM 187 O ALA A 13 60.763 -4.083 -4.695 1.00 0.00 O ATOM 188 CB ALA A 13 57.744 -3.959 -3.883 1.00 0.00 C ATOM 0 H ALA A 13 59.078 -2.195 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 13 58.876 -2.833 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.658 -4.839 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.839 -3.357 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.873 -4.272 -4.919 1.00 0.00 H new ATOM 194 N LEU A 14 60.764 -4.469 -2.525 1.00 0.00 N ATOM 195 CA LEU A 14 62.028 -5.263 -2.612 1.00 0.00 C ATOM 196 C LEU A 14 61.733 -6.761 -2.491 1.00 0.00 C ATOM 197 O LEU A 14 62.433 -7.584 -3.050 1.00 0.00 O ATOM 198 CB LEU A 14 62.880 -4.788 -1.435 1.00 0.00 C ATOM 199 CG LEU A 14 63.193 -3.300 -1.600 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.522 -2.690 -0.235 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.393 -3.135 -2.535 1.00 0.00 C ATOM 0 H LEU A 14 60.370 -4.383 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 14 62.534 -5.119 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.351 -4.957 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.805 -5.362 -1.387 1.00 0.00 H new ATOM 0 HG LEU A 14 62.327 -2.791 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.745 -1.630 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.668 -2.808 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.388 -3.197 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.618 -2.075 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.258 -3.644 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.159 -3.568 -3.508 1.00 0.00 H new ATOM 213 N TYR A 15 60.704 -7.117 -1.767 1.00 0.00 N ATOM 214 CA TYR A 15 60.361 -8.563 -1.608 1.00 0.00 C ATOM 215 C TYR A 15 58.842 -8.750 -1.572 1.00 0.00 C ATOM 216 O TYR A 15 58.091 -7.795 -1.535 1.00 0.00 O ATOM 217 CB TYR A 15 60.981 -8.982 -0.273 1.00 0.00 C ATOM 218 CG TYR A 15 62.479 -8.800 -0.329 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.269 -9.707 -1.047 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.080 -7.726 0.338 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.657 -9.538 -1.098 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.469 -7.557 0.288 1.00 0.00 C ATOM 223 CZ TYR A 15 65.258 -8.464 -0.431 1.00 0.00 C ATOM 224 OH TYR A 15 66.626 -8.298 -0.482 1.00 0.00 O ATOM 0 H TYR A 15 60.086 -6.469 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 15 60.736 -9.163 -2.437 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.562 -8.385 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.739 -10.023 -0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.807 -10.537 -1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.471 -7.027 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.265 -10.237 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.932 -6.728 0.803 1.00 0.00 H new ATOM 0 HH TYR A 15 66.879 -7.504 0.033 1.00 0.00 H new ATOM 234 N ASP A 16 58.393 -9.977 -1.587 1.00 0.00 N ATOM 235 CA ASP A 16 56.922 -10.245 -1.559 1.00 0.00 C ATOM 236 C ASP A 16 56.383 -10.161 -0.129 1.00 0.00 C ATOM 237 O ASP A 16 57.119 -10.272 0.832 1.00 0.00 O ATOM 238 CB ASP A 16 56.768 -11.665 -2.107 1.00 0.00 C ATOM 239 CG ASP A 16 56.901 -11.643 -3.631 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.025 -11.653 -4.107 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.879 -11.615 -4.296 1.00 0.00 O ATOM 0 H ASP A 16 58.982 -10.809 -1.618 1.00 0.00 H new ATOM 0 HA ASP A 16 56.364 -9.515 -2.145 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.527 -12.317 -1.675 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.798 -12.073 -1.822 1.00 0.00 H new ATOM 246 N TYR A 17 55.096 -9.965 0.010 1.00 0.00 N ATOM 247 CA TYR A 17 54.480 -9.870 1.366 1.00 0.00 C ATOM 248 C TYR A 17 52.955 -9.963 1.228 1.00 0.00 C ATOM 249 O TYR A 17 52.248 -8.982 1.360 1.00 0.00 O ATOM 250 CB TYR A 17 54.930 -8.496 1.897 1.00 0.00 C ATOM 251 CG TYR A 17 54.148 -8.108 3.137 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.366 -8.774 4.349 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.206 -7.075 3.068 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.641 -8.406 5.488 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.480 -6.708 4.206 1.00 0.00 C ATOM 256 CZ TYR A 17 52.698 -7.374 5.416 1.00 0.00 C ATOM 257 OH TYR A 17 51.984 -7.012 6.541 1.00 0.00 O ATOM 0 H TYR A 17 54.441 -9.866 -0.766 1.00 0.00 H new ATOM 0 HA TYR A 17 54.780 -10.668 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.995 -8.523 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.791 -7.740 1.124 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.093 -9.571 4.405 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.039 -6.560 2.134 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.809 -8.919 6.424 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.752 -5.912 4.150 1.00 0.00 H new ATOM 0 HH TYR A 17 51.227 -6.447 6.280 1.00 0.00 H new ATOM 267 N MET A 18 52.450 -11.139 0.953 1.00 0.00 N ATOM 268 CA MET A 18 50.972 -11.304 0.798 1.00 0.00 C ATOM 269 C MET A 18 50.267 -11.089 2.153 1.00 0.00 C ATOM 270 O MET A 18 50.866 -11.315 3.185 1.00 0.00 O ATOM 271 CB MET A 18 50.770 -12.740 0.298 1.00 0.00 C ATOM 272 CG MET A 18 51.373 -13.737 1.302 1.00 0.00 C ATOM 273 SD MET A 18 50.053 -14.530 2.259 1.00 0.00 S ATOM 274 CE MET A 18 49.534 -15.713 0.993 1.00 0.00 C ATOM 0 H MET A 18 52.996 -11.991 0.829 1.00 0.00 H new ATOM 0 HA MET A 18 50.549 -10.578 0.104 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.707 -12.942 0.167 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.241 -12.864 -0.677 1.00 0.00 H new ATOM 0 HG2 MET A 18 51.953 -14.492 0.773 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.059 -13.220 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 18 48.454 -15.650 0.857 1.00 0.00 H new ATOM 0 HE2 MET A 18 50.032 -15.481 0.052 1.00 0.00 H new ATOM 0 HE3 MET A 18 49.802 -16.722 1.306 1.00 0.00 H new ATOM 284 N PRO A 19 49.018 -10.648 2.123 1.00 0.00 N ATOM 285 CA PRO A 19 48.279 -10.405 3.386 1.00 0.00 C ATOM 286 C PRO A 19 48.004 -11.719 4.121 1.00 0.00 C ATOM 287 O PRO A 19 48.093 -12.791 3.554 1.00 0.00 O ATOM 288 CB PRO A 19 46.973 -9.768 2.897 1.00 0.00 C ATOM 289 CG PRO A 19 47.011 -9.678 1.360 1.00 0.00 C ATOM 290 CD PRO A 19 48.282 -10.366 0.861 1.00 0.00 C ATOM 0 HA PRO A 19 48.826 -9.782 4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.119 -10.363 3.219 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.852 -8.775 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.130 -10.155 0.931 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.996 -8.636 1.042 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.058 -11.279 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.855 -9.723 0.193 1.00 0.00 H new ATOM 298 N MET A 20 47.664 -11.635 5.381 1.00 0.00 N ATOM 299 CA MET A 20 47.369 -12.869 6.171 1.00 0.00 C ATOM 300 C MET A 20 45.909 -12.848 6.621 1.00 0.00 C ATOM 301 O MET A 20 45.227 -13.854 6.604 1.00 0.00 O ATOM 302 CB MET A 20 48.300 -12.807 7.387 1.00 0.00 C ATOM 303 CG MET A 20 49.756 -12.712 6.922 1.00 0.00 C ATOM 304 SD MET A 20 50.831 -13.580 8.093 1.00 0.00 S ATOM 305 CE MET A 20 51.570 -14.733 6.911 1.00 0.00 C ATOM 0 H MET A 20 47.577 -10.761 5.900 1.00 0.00 H new ATOM 0 HA MET A 20 47.525 -13.779 5.592 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.049 -11.945 8.005 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.164 -13.694 8.006 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.859 -13.147 5.928 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.055 -11.667 6.845 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.280 -15.378 7.428 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.787 -15.343 6.460 1.00 0.00 H new ATOM 0 HE3 MET A 20 52.088 -14.173 6.132 1.00 0.00 H new ATOM 315 N ASN A 21 45.433 -11.699 7.023 1.00 0.00 N ATOM 316 CA ASN A 21 44.016 -11.584 7.478 1.00 0.00 C ATOM 317 C ASN A 21 43.239 -10.636 6.563 1.00 0.00 C ATOM 318 O ASN A 21 42.334 -11.040 5.858 1.00 0.00 O ATOM 319 CB ASN A 21 44.102 -11.012 8.895 1.00 0.00 C ATOM 320 CG ASN A 21 44.132 -12.158 9.907 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.256 -12.272 10.740 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.113 -13.019 9.870 1.00 0.00 N ATOM 0 H ASN A 21 45.968 -10.831 7.056 1.00 0.00 H new ATOM 0 HA ASN A 21 43.496 -12.542 7.454 1.00 0.00 H new ATOM 0 HB2 ASN A 21 44.997 -10.399 8.997 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.248 -10.363 9.089 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.143 -13.787 10.541 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.849 -12.924 9.170 1.00 0.00 H new ATOM 329 N ALA A 22 43.588 -9.376 6.575 1.00 0.00 N ATOM 330 CA ALA A 22 42.876 -8.383 5.709 1.00 0.00 C ATOM 331 C ALA A 22 43.619 -7.043 5.702 1.00 0.00 C ATOM 332 O ALA A 22 43.710 -6.380 4.685 1.00 0.00 O ATOM 333 CB ALA A 22 41.493 -8.221 6.342 1.00 0.00 C ATOM 0 H ALA A 22 44.337 -8.988 7.148 1.00 0.00 H new ATOM 0 HA ALA A 22 42.817 -8.716 4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.909 -7.506 5.762 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.982 -9.184 6.352 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.601 -7.857 7.364 1.00 0.00 H new ATOM 339 N ASN A 23 44.144 -6.642 6.829 1.00 0.00 N ATOM 340 CA ASN A 23 44.880 -5.341 6.904 1.00 0.00 C ATOM 341 C ASN A 23 46.063 -5.313 5.951 1.00 0.00 C ATOM 342 O ASN A 23 46.198 -4.426 5.133 1.00 0.00 O ATOM 343 CB ASN A 23 45.413 -5.252 8.326 1.00 0.00 C ATOM 344 CG ASN A 23 44.413 -4.508 9.212 1.00 0.00 C ATOM 345 OD1 ASN A 23 43.959 -3.436 8.866 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.047 -5.035 10.348 1.00 0.00 N ATOM 0 H ASN A 23 44.096 -7.160 7.706 1.00 0.00 H new ATOM 0 HA ASN A 23 44.218 -4.518 6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.588 -6.253 8.721 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.372 -4.735 8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.380 -4.547 10.945 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.428 -5.935 10.639 1.00 0.00 H new ATOM 353 N ASP A 24 46.948 -6.258 6.102 1.00 0.00 N ATOM 354 CA ASP A 24 48.183 -6.299 5.264 1.00 0.00 C ATOM 355 C ASP A 24 47.884 -6.061 3.774 1.00 0.00 C ATOM 356 O ASP A 24 46.869 -6.486 3.256 1.00 0.00 O ATOM 357 CB ASP A 24 48.763 -7.697 5.480 1.00 0.00 C ATOM 358 CG ASP A 24 49.252 -7.836 6.924 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.687 -6.840 7.481 1.00 0.00 O ATOM 360 OD2 ASP A 24 49.183 -8.935 7.449 1.00 0.00 O ATOM 0 H ASP A 24 46.868 -7.016 6.780 1.00 0.00 H new ATOM 0 HA ASP A 24 48.876 -5.508 5.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.006 -8.452 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.588 -7.870 4.788 1.00 0.00 H new ATOM 365 N LEU A 25 48.769 -5.375 3.092 1.00 0.00 N ATOM 366 CA LEU A 25 48.558 -5.088 1.643 1.00 0.00 C ATOM 367 C LEU A 25 49.263 -6.149 0.787 1.00 0.00 C ATOM 368 O LEU A 25 50.194 -6.794 1.229 1.00 0.00 O ATOM 369 CB LEU A 25 49.178 -3.700 1.428 1.00 0.00 C ATOM 370 CG LEU A 25 48.931 -3.242 -0.015 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.459 -2.855 -0.188 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.808 -2.026 -0.329 1.00 0.00 C ATOM 0 H LEU A 25 49.634 -5.000 3.482 1.00 0.00 H new ATOM 0 HA LEU A 25 47.506 -5.109 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.743 -2.985 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.248 -3.734 1.631 1.00 0.00 H new ATOM 0 HG LEU A 25 49.179 -4.058 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.286 -2.530 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.828 -3.717 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.214 -2.043 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.630 -1.704 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.562 -1.213 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.858 -2.294 -0.210 1.00 0.00 H new ATOM 384 N GLN A 26 48.813 -6.343 -0.431 1.00 0.00 N ATOM 385 CA GLN A 26 49.441 -7.373 -1.319 1.00 0.00 C ATOM 386 C GLN A 26 50.643 -6.790 -2.064 1.00 0.00 C ATOM 387 O GLN A 26 50.507 -6.219 -3.131 1.00 0.00 O ATOM 388 CB GLN A 26 48.345 -7.766 -2.312 1.00 0.00 C ATOM 389 CG GLN A 26 47.145 -8.344 -1.558 1.00 0.00 C ATOM 390 CD GLN A 26 45.930 -8.385 -2.486 1.00 0.00 C ATOM 391 OE1 GLN A 26 44.887 -7.851 -2.166 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.022 -9.001 -3.633 1.00 0.00 N ATOM 0 H GLN A 26 48.036 -5.831 -0.849 1.00 0.00 H new ATOM 0 HA GLN A 26 49.808 -8.226 -0.748 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.037 -6.895 -2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.729 -8.500 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.376 -9.347 -1.200 1.00 0.00 H new ATOM 0 HG3 GLN A 26 46.926 -7.735 -0.681 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.898 -9.450 -3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.218 -9.034 -4.260 1.00 0.00 H new ATOM 401 N LEU A 27 51.818 -6.933 -1.508 1.00 0.00 N ATOM 402 CA LEU A 27 53.038 -6.397 -2.167 1.00 0.00 C ATOM 403 C LEU A 27 53.694 -7.464 -3.051 1.00 0.00 C ATOM 404 O LEU A 27 53.115 -8.494 -3.336 1.00 0.00 O ATOM 405 CB LEU A 27 53.948 -6.008 -1.004 1.00 0.00 C ATOM 406 CG LEU A 27 53.565 -4.614 -0.529 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.494 -4.724 0.555 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.798 -3.905 0.035 1.00 0.00 C ATOM 0 H LEU A 27 51.982 -7.403 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 27 52.825 -5.556 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.848 -6.725 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.992 -6.027 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 27 53.174 -4.039 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.218 -3.726 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.615 -5.224 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.884 -5.300 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.520 -2.907 0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.194 -4.477 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.559 -3.826 -0.741 1.00 0.00 H new ATOM 420 N ARG A 28 54.899 -7.211 -3.489 1.00 0.00 N ATOM 421 CA ARG A 28 55.622 -8.179 -4.365 1.00 0.00 C ATOM 422 C ARG A 28 57.075 -7.724 -4.526 1.00 0.00 C ATOM 423 O ARG A 28 57.550 -6.884 -3.784 1.00 0.00 O ATOM 424 CB ARG A 28 54.890 -8.128 -5.709 1.00 0.00 C ATOM 425 CG ARG A 28 53.958 -9.335 -5.835 1.00 0.00 C ATOM 426 CD ARG A 28 53.897 -9.784 -7.297 1.00 0.00 C ATOM 427 NE ARG A 28 52.506 -10.278 -7.489 1.00 0.00 N ATOM 428 CZ ARG A 28 51.771 -9.800 -8.455 1.00 0.00 C ATOM 429 NH1 ARG A 28 52.267 -9.685 -9.658 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.541 -9.434 -8.220 1.00 0.00 N ATOM 0 H ARG A 28 55.421 -6.361 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 28 55.636 -9.189 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.317 -7.204 -5.787 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.611 -8.126 -6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.316 -10.151 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 28 52.960 -9.076 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 28 54.120 -8.959 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.626 -10.568 -7.500 1.00 0.00 H new ATOM 0 HE ARG A 28 52.127 -10.991 -6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 28 53.229 -9.969 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 28 51.692 -9.311 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.154 -9.521 -7.281 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.967 -9.060 -8.976 1.00 0.00 H new ATOM 444 N LYS A 29 57.783 -8.264 -5.486 1.00 0.00 N ATOM 445 CA LYS A 29 59.199 -7.856 -5.688 1.00 0.00 C ATOM 446 C LYS A 29 59.351 -7.076 -6.995 1.00 0.00 C ATOM 447 O LYS A 29 59.061 -7.575 -8.067 1.00 0.00 O ATOM 448 CB LYS A 29 59.992 -9.165 -5.725 1.00 0.00 C ATOM 449 CG LYS A 29 61.482 -8.861 -5.902 1.00 0.00 C ATOM 450 CD LYS A 29 62.281 -10.163 -5.826 1.00 0.00 C ATOM 451 CE LYS A 29 63.726 -9.854 -5.427 1.00 0.00 C ATOM 452 NZ LYS A 29 64.556 -10.797 -6.228 1.00 0.00 N ATOM 0 H LYS A 29 57.438 -8.970 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 29 59.555 -7.196 -4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.832 -9.724 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.639 -9.792 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.653 -8.373 -6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.818 -8.170 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.828 -10.838 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.260 -10.672 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.983 -8.818 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.881 -10.002 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 65.562 -10.646 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 64.294 -11.776 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.393 -10.628 -7.241 1.00 0.00 H new ATOM 466 N GLY A 30 59.795 -5.848 -6.904 1.00 0.00 N ATOM 467 CA GLY A 30 59.963 -5.009 -8.126 1.00 0.00 C ATOM 468 C GLY A 30 58.714 -4.147 -8.332 1.00 0.00 C ATOM 469 O GLY A 30 58.768 -3.115 -8.974 1.00 0.00 O ATOM 0 H GLY A 30 60.050 -5.389 -6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.843 -4.374 -8.025 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.126 -5.645 -8.996 1.00 0.00 H new ATOM 473 N ASP A 31 57.591 -4.558 -7.790 1.00 0.00 N ATOM 474 CA ASP A 31 56.343 -3.756 -7.953 1.00 0.00 C ATOM 475 C ASP A 31 56.413 -2.511 -7.069 1.00 0.00 C ATOM 476 O ASP A 31 57.153 -2.474 -6.109 1.00 0.00 O ATOM 477 CB ASP A 31 55.208 -4.677 -7.499 1.00 0.00 C ATOM 478 CG ASP A 31 53.882 -4.170 -8.069 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.702 -4.263 -9.273 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.067 -3.698 -7.292 1.00 0.00 O ATOM 0 H ASP A 31 57.488 -5.413 -7.243 1.00 0.00 H new ATOM 0 HA ASP A 31 56.197 -3.418 -8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.395 -5.696 -7.836 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.161 -4.705 -6.410 1.00 0.00 H new ATOM 485 N GLU A 32 55.655 -1.494 -7.383 1.00 0.00 N ATOM 486 CA GLU A 32 55.684 -0.249 -6.550 1.00 0.00 C ATOM 487 C GLU A 32 54.274 0.036 -6.025 1.00 0.00 C ATOM 488 O GLU A 32 53.316 -0.576 -6.463 1.00 0.00 O ATOM 489 CB GLU A 32 56.169 0.874 -7.483 1.00 0.00 C ATOM 490 CG GLU A 32 57.418 0.437 -8.259 1.00 0.00 C ATOM 491 CD GLU A 32 56.996 -0.248 -9.561 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.669 0.459 -10.500 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.009 -1.467 -9.597 1.00 0.00 O ATOM 0 H GLU A 32 55.017 -1.468 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 32 56.343 -0.339 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.376 1.140 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.392 1.767 -6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.045 1.302 -8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.015 -0.245 -7.654 1.00 0.00 H new ATOM 500 N TYR A 33 54.134 0.921 -5.065 1.00 0.00 N ATOM 501 CA TYR A 33 52.779 1.187 -4.494 1.00 0.00 C ATOM 502 C TYR A 33 52.519 2.681 -4.318 1.00 0.00 C ATOM 503 O TYR A 33 53.288 3.519 -4.740 1.00 0.00 O ATOM 504 CB TYR A 33 52.783 0.524 -3.115 1.00 0.00 C ATOM 505 CG TYR A 33 53.387 -0.859 -3.185 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.792 -1.840 -3.983 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.551 -1.146 -2.467 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.364 -3.110 -4.065 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.120 -2.418 -2.544 1.00 0.00 C ATOM 510 CZ TYR A 33 54.527 -3.400 -3.346 1.00 0.00 C ATOM 511 OH TYR A 33 55.096 -4.649 -3.437 1.00 0.00 O ATOM 0 H TYR A 33 54.894 1.465 -4.657 1.00 0.00 H new ATOM 0 HA TYR A 33 52.005 0.802 -5.158 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.349 1.137 -2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.764 0.461 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.891 -1.616 -4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.010 -0.385 -1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.908 -3.869 -4.684 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.016 -2.644 -1.986 1.00 0.00 H new ATOM 0 HH TYR A 33 55.326 -4.836 -4.371 1.00 0.00 H new ATOM 521 N PHE A 34 51.435 2.997 -3.663 1.00 0.00 N ATOM 522 CA PHE A 34 51.079 4.424 -3.403 1.00 0.00 C ATOM 523 C PHE A 34 51.068 4.678 -1.897 1.00 0.00 C ATOM 524 O PHE A 34 50.428 3.964 -1.151 1.00 0.00 O ATOM 525 CB PHE A 34 49.678 4.599 -3.982 1.00 0.00 C ATOM 526 CG PHE A 34 49.776 5.039 -5.423 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.463 6.213 -5.752 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.179 4.272 -6.431 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.553 6.621 -7.088 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.270 4.679 -7.767 1.00 0.00 C ATOM 531 CZ PHE A 34 49.957 5.854 -8.095 1.00 0.00 C ATOM 0 H PHE A 34 50.771 2.318 -3.291 1.00 0.00 H new ATOM 0 HA PHE A 34 51.788 5.121 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.126 3.662 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.124 5.338 -3.403 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.924 6.804 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.648 3.366 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.082 7.528 -7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 34 48.810 4.087 -8.545 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.027 6.168 -9.126 1.00 0.00 H new ATOM 541 N ILE A 35 51.784 5.672 -1.443 1.00 0.00 N ATOM 542 CA ILE A 35 51.835 5.947 0.024 1.00 0.00 C ATOM 543 C ILE A 35 50.789 6.978 0.452 1.00 0.00 C ATOM 544 O ILE A 35 50.659 8.038 -0.127 1.00 0.00 O ATOM 545 CB ILE A 35 53.253 6.471 0.288 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.293 5.437 -0.170 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.437 6.741 1.786 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.058 4.095 0.534 1.00 0.00 C ATOM 0 H ILE A 35 52.335 6.305 -2.023 1.00 0.00 H new ATOM 0 HA ILE A 35 51.612 5.048 0.598 1.00 0.00 H new ATOM 0 HB ILE A 35 53.393 7.396 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.232 5.304 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.297 5.800 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.445 7.113 1.968 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.711 7.486 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.285 5.817 2.344 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.803 3.373 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.143 4.230 1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.061 3.727 0.292 1.00 0.00 H new ATOM 560 N LEU A 36 50.062 6.659 1.490 1.00 0.00 N ATOM 561 CA LEU A 36 49.029 7.591 2.018 1.00 0.00 C ATOM 562 C LEU A 36 49.493 8.134 3.373 1.00 0.00 C ATOM 563 O LEU A 36 49.218 9.263 3.733 1.00 0.00 O ATOM 564 CB LEU A 36 47.772 6.734 2.185 1.00 0.00 C ATOM 565 CG LEU A 36 47.347 6.168 0.824 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.860 4.727 0.996 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.214 7.019 0.246 1.00 0.00 C ATOM 0 H LEU A 36 50.143 5.779 2.000 1.00 0.00 H new ATOM 0 HA LEU A 36 48.849 8.444 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.965 5.920 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 46.966 7.333 2.608 1.00 0.00 H new ATOM 0 HG LEU A 36 48.200 6.186 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.559 4.327 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.665 4.117 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.009 4.709 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.913 6.616 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.363 7.003 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.558 8.046 0.120 1.00 0.00 H new ATOM 579 N GLU A 37 50.205 7.327 4.117 1.00 0.00 N ATOM 580 CA GLU A 37 50.715 7.761 5.449 1.00 0.00 C ATOM 581 C GLU A 37 51.714 6.722 5.960 1.00 0.00 C ATOM 582 O GLU A 37 51.529 5.535 5.761 1.00 0.00 O ATOM 583 CB GLU A 37 49.482 7.815 6.352 1.00 0.00 C ATOM 584 CG GLU A 37 49.624 8.974 7.341 1.00 0.00 C ATOM 585 CD GLU A 37 48.810 8.674 8.601 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.594 8.738 8.527 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.416 8.385 9.619 1.00 0.00 O ATOM 0 H GLU A 37 50.457 6.374 3.853 1.00 0.00 H new ATOM 0 HA GLU A 37 51.225 8.724 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 37 48.583 7.945 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.372 6.874 6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.673 9.119 7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.277 9.901 6.884 1.00 0.00 H new ATOM 594 N GLU A 38 52.774 7.148 6.603 1.00 0.00 N ATOM 595 CA GLU A 38 53.781 6.160 7.106 1.00 0.00 C ATOM 596 C GLU A 38 53.473 5.714 8.537 1.00 0.00 C ATOM 597 O GLU A 38 54.302 5.118 9.196 1.00 0.00 O ATOM 598 CB GLU A 38 55.134 6.874 7.031 1.00 0.00 C ATOM 599 CG GLU A 38 55.109 8.139 7.894 1.00 0.00 C ATOM 600 CD GLU A 38 56.487 8.359 8.521 1.00 0.00 C ATOM 601 OE1 GLU A 38 57.069 7.390 8.978 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.938 9.492 8.532 1.00 0.00 O ATOM 0 H GLU A 38 52.985 8.126 6.800 1.00 0.00 H new ATOM 0 HA GLU A 38 53.770 5.250 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 38 55.926 6.207 7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.360 7.134 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 38 54.833 9.001 7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 38 54.354 8.044 8.674 1.00 0.00 H new ATOM 609 N SER A 39 52.279 5.978 8.999 1.00 0.00 N ATOM 610 CA SER A 39 51.849 5.568 10.384 1.00 0.00 C ATOM 611 C SER A 39 52.970 5.745 11.430 1.00 0.00 C ATOM 612 O SER A 39 53.035 5.017 12.398 1.00 0.00 O ATOM 613 CB SER A 39 51.476 4.095 10.240 1.00 0.00 C ATOM 614 OG SER A 39 50.286 3.987 9.469 1.00 0.00 O ATOM 0 H SER A 39 51.562 6.472 8.467 1.00 0.00 H new ATOM 0 HA SER A 39 51.027 6.187 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.286 3.548 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 39 51.329 3.647 11.223 1.00 0.00 H new ATOM 0 HG SER A 39 50.043 3.042 9.372 1.00 0.00 H new ATOM 620 N ASN A 40 53.841 6.708 11.224 1.00 0.00 N ATOM 621 CA ASN A 40 54.981 6.977 12.172 1.00 0.00 C ATOM 622 C ASN A 40 55.631 5.685 12.718 1.00 0.00 C ATOM 623 O ASN A 40 55.863 5.559 13.905 1.00 0.00 O ATOM 624 CB ASN A 40 54.389 7.832 13.307 1.00 0.00 C ATOM 625 CG ASN A 40 53.401 7.019 14.148 1.00 0.00 C ATOM 626 OD1 ASN A 40 52.239 6.913 13.809 1.00 0.00 O ATOM 627 ND2 ASN A 40 53.817 6.437 15.239 1.00 0.00 N ATOM 0 H ASN A 40 53.811 7.335 10.420 1.00 0.00 H new ATOM 0 HA ASN A 40 55.790 7.492 11.654 1.00 0.00 H new ATOM 0 HB2 ASN A 40 55.192 8.205 13.943 1.00 0.00 H new ATOM 0 HB3 ASN A 40 53.884 8.702 12.887 1.00 0.00 H new ATOM 0 HD21 ASN A 40 53.167 5.893 15.807 1.00 0.00 H new ATOM 0 HD22 ASN A 40 54.792 6.526 15.524 1.00 0.00 H new ATOM 634 N LEU A 41 55.944 4.744 11.856 1.00 0.00 N ATOM 635 CA LEU A 41 56.600 3.481 12.323 1.00 0.00 C ATOM 636 C LEU A 41 57.187 2.710 11.108 1.00 0.00 C ATOM 637 O LEU A 41 57.128 3.207 10.001 1.00 0.00 O ATOM 638 CB LEU A 41 55.494 2.710 13.101 1.00 0.00 C ATOM 639 CG LEU A 41 54.684 1.728 12.223 1.00 0.00 C ATOM 640 CD1 LEU A 41 54.320 0.491 13.048 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.403 2.404 11.750 1.00 0.00 C ATOM 0 H LEU A 41 55.773 4.797 10.852 1.00 0.00 H new ATOM 0 HA LEU A 41 57.454 3.645 12.981 1.00 0.00 H new ATOM 0 HB2 LEU A 41 55.956 2.156 13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 41 54.810 3.430 13.551 1.00 0.00 H new ATOM 0 HG LEU A 41 55.284 1.435 11.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.749 -0.203 12.431 1.00 0.00 H new ATOM 0 HD12 LEU A 41 55.231 0.003 13.394 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.720 0.790 13.907 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.833 1.711 11.131 1.00 0.00 H new ATOM 0 HD22 LEU A 41 52.805 2.695 12.614 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.653 3.290 11.166 1.00 0.00 H new ATOM 653 N PRO A 42 57.743 1.524 11.333 1.00 0.00 N ATOM 654 CA PRO A 42 58.327 0.748 10.208 1.00 0.00 C ATOM 655 C PRO A 42 57.243 0.353 9.196 1.00 0.00 C ATOM 656 O PRO A 42 57.425 0.488 8.001 1.00 0.00 O ATOM 657 CB PRO A 42 58.913 -0.483 10.908 1.00 0.00 C ATOM 658 CG PRO A 42 58.647 -0.367 12.420 1.00 0.00 C ATOM 659 CD PRO A 42 57.826 0.900 12.682 1.00 0.00 C ATOM 0 HA PRO A 42 59.068 1.305 9.635 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.460 -1.393 10.514 1.00 0.00 H new ATOM 0 HB3 PRO A 42 59.984 -0.552 10.717 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.109 -1.245 12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.589 -0.326 12.967 1.00 0.00 H new ATOM 0 HD2 PRO A 42 56.839 0.667 13.081 1.00 0.00 H new ATOM 0 HD3 PRO A 42 58.314 1.557 13.402 1.00 0.00 H new ATOM 667 N TRP A 43 56.121 -0.128 9.667 1.00 0.00 N ATOM 668 CA TRP A 43 55.023 -0.529 8.733 1.00 0.00 C ATOM 669 C TRP A 43 54.282 0.720 8.247 1.00 0.00 C ATOM 670 O TRP A 43 54.218 1.719 8.938 1.00 0.00 O ATOM 671 CB TRP A 43 54.102 -1.421 9.563 1.00 0.00 C ATOM 672 CG TRP A 43 54.844 -2.642 9.985 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.549 -2.736 11.119 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.967 -3.929 9.313 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.107 -3.998 11.204 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.775 -4.774 10.111 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.463 -4.443 8.104 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.073 -6.080 9.725 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.762 -5.758 7.713 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.565 -6.575 8.522 1.00 0.00 C ATOM 0 H TRP A 43 55.917 -0.261 10.657 1.00 0.00 H new ATOM 0 HA TRP A 43 55.390 -1.049 7.848 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.744 -0.879 10.438 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.224 -1.699 8.980 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.664 -1.951 11.851 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.691 -4.316 11.977 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.843 -3.823 7.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.692 -6.704 10.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.371 -6.143 6.783 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.790 -7.586 8.215 1.00 0.00 H new ATOM 691 N TRP A 44 53.747 0.677 7.053 1.00 0.00 N ATOM 692 CA TRP A 44 53.039 1.871 6.502 1.00 0.00 C ATOM 693 C TRP A 44 51.570 1.570 6.200 1.00 0.00 C ATOM 694 O TRP A 44 51.057 0.515 6.512 1.00 0.00 O ATOM 695 CB TRP A 44 53.759 2.163 5.182 1.00 0.00 C ATOM 696 CG TRP A 44 54.971 3.025 5.380 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.456 3.471 6.563 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.851 3.553 4.355 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.585 4.235 6.322 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.868 4.314 4.972 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.859 3.438 2.957 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.863 4.944 4.222 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.853 4.067 2.198 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.856 4.821 2.828 1.00 0.00 C ATOM 0 H TRP A 44 53.770 -0.135 6.436 1.00 0.00 H new ATOM 0 HA TRP A 44 53.056 2.699 7.211 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.055 1.224 4.715 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.071 2.657 4.496 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.032 3.265 7.535 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.139 4.684 7.051 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.092 2.860 2.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.632 5.522 4.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.848 3.972 1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.620 5.305 2.238 1.00 0.00 H new ATOM 715 N ARG A 45 50.914 2.498 5.556 1.00 0.00 N ATOM 716 CA ARG A 45 49.491 2.310 5.164 1.00 0.00 C ATOM 717 C ARG A 45 49.348 2.812 3.726 1.00 0.00 C ATOM 718 O ARG A 45 48.841 3.888 3.478 1.00 0.00 O ATOM 719 CB ARG A 45 48.682 3.175 6.133 1.00 0.00 C ATOM 720 CG ARG A 45 47.267 2.608 6.266 1.00 0.00 C ATOM 721 CD ARG A 45 46.384 3.609 7.012 1.00 0.00 C ATOM 722 NE ARG A 45 45.444 2.773 7.810 1.00 0.00 N ATOM 723 CZ ARG A 45 44.269 3.241 8.134 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.276 3.150 7.292 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.088 3.797 9.299 1.00 0.00 N ATOM 0 H ARG A 45 51.314 3.395 5.281 1.00 0.00 H new ATOM 0 HA ARG A 45 49.152 1.275 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.168 3.199 7.108 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.641 4.203 5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.851 2.405 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.293 1.659 6.802 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.979 4.258 7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.846 4.255 6.318 1.00 0.00 H new ATOM 0 HE ARG A 45 45.718 1.835 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.418 2.713 6.381 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.358 3.515 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.864 3.866 9.957 1.00 0.00 H new ATOM 0 HH22 ARG A 45 43.170 4.163 9.552 1.00 0.00 H new ATOM 739 N ALA A 46 49.840 2.048 2.789 1.00 0.00 N ATOM 740 CA ALA A 46 49.800 2.468 1.358 1.00 0.00 C ATOM 741 C ALA A 46 48.888 1.545 0.548 1.00 0.00 C ATOM 742 O ALA A 46 48.398 0.551 1.045 1.00 0.00 O ATOM 743 CB ALA A 46 51.256 2.330 0.889 1.00 0.00 C ATOM 0 H ALA A 46 50.273 1.140 2.956 1.00 0.00 H new ATOM 0 HA ALA A 46 49.408 3.477 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.329 2.618 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.895 2.978 1.489 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.579 1.295 1.004 1.00 0.00 H new ATOM 749 N ARG A 47 48.671 1.869 -0.703 1.00 0.00 N ATOM 750 CA ARG A 47 47.805 1.009 -1.561 1.00 0.00 C ATOM 751 C ARG A 47 48.630 0.425 -2.705 1.00 0.00 C ATOM 752 O ARG A 47 49.641 0.979 -3.092 1.00 0.00 O ATOM 753 CB ARG A 47 46.728 1.933 -2.119 1.00 0.00 C ATOM 754 CG ARG A 47 45.707 2.257 -1.031 1.00 0.00 C ATOM 755 CD ARG A 47 44.986 3.561 -1.382 1.00 0.00 C ATOM 756 NE ARG A 47 43.960 3.738 -0.317 1.00 0.00 N ATOM 757 CZ ARG A 47 42.716 3.964 -0.640 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.141 3.248 -1.568 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.046 4.908 -0.035 1.00 0.00 N ATOM 0 H ARG A 47 49.057 2.692 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 47 47.375 0.179 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.182 2.852 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.232 1.458 -2.966 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.987 1.444 -0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.205 2.352 -0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.680 4.401 -1.404 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.525 3.503 -2.368 1.00 0.00 H new ATOM 0 HE ARG A 47 44.230 3.683 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.664 2.511 -2.041 1.00 0.00 H new ATOM 0 HH12 ARG A 47 41.169 3.425 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.495 5.468 0.690 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.074 5.085 -0.287 1.00 0.00 H new ATOM 773 N ASP A 48 48.204 -0.682 -3.248 1.00 0.00 N ATOM 774 CA ASP A 48 48.960 -1.305 -4.369 1.00 0.00 C ATOM 775 C ASP A 48 48.376 -0.861 -5.718 1.00 0.00 C ATOM 776 O ASP A 48 47.790 0.200 -5.828 1.00 0.00 O ATOM 777 CB ASP A 48 48.797 -2.816 -4.152 1.00 0.00 C ATOM 778 CG ASP A 48 47.324 -3.230 -4.291 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.465 -2.389 -4.080 1.00 0.00 O ATOM 780 OD2 ASP A 48 47.083 -4.383 -4.605 1.00 0.00 O ATOM 0 H ASP A 48 47.363 -1.183 -2.962 1.00 0.00 H new ATOM 0 HA ASP A 48 50.010 -1.013 -4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.402 -3.360 -4.877 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.164 -3.088 -3.162 1.00 0.00 H new ATOM 785 N LYS A 49 48.536 -1.663 -6.741 1.00 0.00 N ATOM 786 CA LYS A 49 47.995 -1.294 -8.083 1.00 0.00 C ATOM 787 C LYS A 49 46.616 -1.922 -8.289 1.00 0.00 C ATOM 788 O LYS A 49 46.298 -2.405 -9.360 1.00 0.00 O ATOM 789 CB LYS A 49 49.001 -1.864 -9.085 1.00 0.00 C ATOM 790 CG LYS A 49 50.201 -0.922 -9.196 1.00 0.00 C ATOM 791 CD LYS A 49 49.889 0.185 -10.205 1.00 0.00 C ATOM 792 CE LYS A 49 50.651 1.455 -9.821 1.00 0.00 C ATOM 793 NZ LYS A 49 50.903 2.157 -11.112 1.00 0.00 N ATOM 0 H LYS A 49 49.020 -2.560 -6.703 1.00 0.00 H new ATOM 0 HA LYS A 49 47.872 -0.217 -8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.330 -2.852 -8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 49 48.530 -1.986 -10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.427 -0.488 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 49 51.085 -1.477 -9.511 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.172 -0.133 -11.208 1.00 0.00 H new ATOM 0 HD3 LYS A 49 48.817 0.383 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 49 50.067 2.076 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.585 1.217 -9.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.423 3.040 -10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.466 1.545 -11.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 49.996 2.377 -11.570 1.00 0.00 H new ATOM 807 N ASN A 50 45.795 -1.914 -7.271 1.00 0.00 N ATOM 808 CA ASN A 50 44.433 -2.499 -7.392 1.00 0.00 C ATOM 809 C ASN A 50 43.431 -1.713 -6.540 1.00 0.00 C ATOM 810 O ASN A 50 42.380 -2.214 -6.188 1.00 0.00 O ATOM 811 CB ASN A 50 44.570 -3.933 -6.878 1.00 0.00 C ATOM 812 CG ASN A 50 45.506 -4.719 -7.797 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.673 -4.880 -7.499 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.042 -5.219 -8.908 1.00 0.00 N ATOM 0 H ASN A 50 46.015 -1.523 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 50 44.063 -2.466 -8.417 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.961 -3.930 -5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.592 -4.412 -6.842 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.659 -5.745 -9.527 1.00 0.00 H new ATOM 0 HD22 ASN A 50 44.062 -5.084 -9.158 1.00 0.00 H new ATOM 821 N GLY A 51 43.748 -0.484 -6.207 1.00 0.00 N ATOM 822 CA GLY A 51 42.814 0.339 -5.380 1.00 0.00 C ATOM 823 C GLY A 51 42.609 -0.325 -4.017 1.00 0.00 C ATOM 824 O GLY A 51 41.567 -0.188 -3.403 1.00 0.00 O ATOM 0 H GLY A 51 44.615 -0.017 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.218 1.343 -5.249 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.857 0.444 -5.891 1.00 0.00 H new ATOM 828 N GLN A 52 43.595 -1.043 -3.540 1.00 0.00 N ATOM 829 CA GLN A 52 43.464 -1.720 -2.216 1.00 0.00 C ATOM 830 C GLN A 52 44.519 -1.187 -1.243 1.00 0.00 C ATOM 831 O GLN A 52 45.696 -1.164 -1.545 1.00 0.00 O ATOM 832 CB GLN A 52 43.700 -3.201 -2.503 1.00 0.00 C ATOM 833 CG GLN A 52 42.368 -3.878 -2.831 1.00 0.00 C ATOM 834 CD GLN A 52 41.703 -4.352 -1.538 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.798 -3.715 -1.038 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.118 -5.453 -0.971 1.00 0.00 N ATOM 0 H GLN A 52 44.487 -1.189 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 52 42.491 -1.544 -1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.392 -3.314 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.160 -3.680 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.713 -3.181 -3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 52 42.533 -4.724 -3.499 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.878 -5.988 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.682 -5.778 -0.108 1.00 0.00 H new ATOM 845 N GLU A 53 44.101 -0.766 -0.076 1.00 0.00 N ATOM 846 CA GLU A 53 45.073 -0.235 0.929 1.00 0.00 C ATOM 847 C GLU A 53 45.390 -1.310 1.973 1.00 0.00 C ATOM 848 O GLU A 53 44.587 -2.188 2.230 1.00 0.00 O ATOM 849 CB GLU A 53 44.367 0.961 1.582 1.00 0.00 C ATOM 850 CG GLU A 53 43.054 0.512 2.240 1.00 0.00 C ATOM 851 CD GLU A 53 41.865 0.971 1.393 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.507 0.255 0.471 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.331 2.030 1.680 1.00 0.00 O ATOM 0 H GLU A 53 43.126 -0.767 0.225 1.00 0.00 H new ATOM 0 HA GLU A 53 46.019 0.056 0.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.019 1.414 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.163 1.725 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.041 -0.573 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 53 42.979 0.929 3.244 1.00 0.00 H new ATOM 860 N GLY A 54 46.550 -1.245 2.579 1.00 0.00 N ATOM 861 CA GLY A 54 46.908 -2.264 3.609 1.00 0.00 C ATOM 862 C GLY A 54 48.201 -1.846 4.301 1.00 0.00 C ATOM 863 O GLY A 54 48.513 -0.673 4.378 1.00 0.00 O ATOM 0 H GLY A 54 47.260 -0.534 2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.105 -2.358 4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.031 -3.242 3.143 1.00 0.00 H new ATOM 867 N TYR A 55 48.954 -2.790 4.810 1.00 0.00 N ATOM 868 CA TYR A 55 50.222 -2.426 5.501 1.00 0.00 C ATOM 869 C TYR A 55 51.439 -2.771 4.640 1.00 0.00 C ATOM 870 O TYR A 55 51.429 -3.712 3.872 1.00 0.00 O ATOM 871 CB TYR A 55 50.229 -3.228 6.804 1.00 0.00 C ATOM 872 CG TYR A 55 49.199 -2.660 7.750 1.00 0.00 C ATOM 873 CD1 TYR A 55 47.835 -2.813 7.475 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.609 -1.979 8.903 1.00 0.00 C ATOM 875 CE1 TYR A 55 46.881 -2.285 8.353 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.653 -1.452 9.781 1.00 0.00 C ATOM 877 CZ TYR A 55 47.289 -1.605 9.506 1.00 0.00 C ATOM 878 OH TYR A 55 46.348 -1.085 10.371 1.00 0.00 O ATOM 0 H TYR A 55 48.745 -3.788 4.776 1.00 0.00 H new ATOM 0 HA TYR A 55 50.278 -1.354 5.690 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.012 -4.276 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.218 -3.191 7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.519 -3.338 6.586 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.661 -1.860 9.115 1.00 0.00 H new ATOM 0 HE1 TYR A 55 45.829 -2.403 8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 55 48.969 -0.927 10.671 1.00 0.00 H new ATOM 0 HH TYR A 55 46.801 -0.645 11.121 1.00 0.00 H new ATOM 888 N ILE A 56 52.481 -1.988 4.761 1.00 0.00 N ATOM 889 CA ILE A 56 53.715 -2.220 3.953 1.00 0.00 C ATOM 890 C ILE A 56 54.965 -1.856 4.793 1.00 0.00 C ATOM 891 O ILE A 56 55.147 -0.697 5.110 1.00 0.00 O ATOM 892 CB ILE A 56 53.558 -1.252 2.769 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.404 -1.727 1.883 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.843 -1.198 1.939 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.121 -0.998 2.273 1.00 0.00 C ATOM 0 H ILE A 56 52.529 -1.189 5.393 1.00 0.00 H new ATOM 0 HA ILE A 56 53.839 -3.255 3.635 1.00 0.00 H new ATOM 0 HB ILE A 56 53.351 -0.254 3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.636 -1.538 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.269 -2.803 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.710 -0.507 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.667 -0.856 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.069 -2.192 1.553 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.302 -1.339 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.885 -1.209 3.316 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.258 0.075 2.142 1.00 0.00 H new ATOM 907 N PRO A 57 55.807 -2.828 5.127 1.00 0.00 N ATOM 908 CA PRO A 57 57.028 -2.513 5.918 1.00 0.00 C ATOM 909 C PRO A 57 57.901 -1.503 5.158 1.00 0.00 C ATOM 910 O PRO A 57 58.045 -1.581 3.952 1.00 0.00 O ATOM 911 CB PRO A 57 57.719 -3.876 6.036 1.00 0.00 C ATOM 912 CG PRO A 57 56.864 -4.932 5.312 1.00 0.00 C ATOM 913 CD PRO A 57 55.607 -4.254 4.753 1.00 0.00 C ATOM 0 HA PRO A 57 56.825 -2.060 6.888 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.716 -3.833 5.597 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.844 -4.146 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.435 -5.391 4.505 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.587 -5.730 6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.525 -4.381 3.674 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.697 -4.664 5.192 1.00 0.00 H new ATOM 921 N SER A 58 58.465 -0.549 5.854 1.00 0.00 N ATOM 922 CA SER A 58 59.314 0.483 5.176 1.00 0.00 C ATOM 923 C SER A 58 60.540 -0.159 4.518 1.00 0.00 C ATOM 924 O SER A 58 60.876 0.143 3.388 1.00 0.00 O ATOM 925 CB SER A 58 59.750 1.439 6.287 1.00 0.00 C ATOM 926 OG SER A 58 60.304 0.690 7.360 1.00 0.00 O ATOM 0 H SER A 58 58.375 -0.438 6.864 1.00 0.00 H new ATOM 0 HA SER A 58 58.766 0.993 4.384 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.485 2.148 5.905 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.898 2.021 6.637 1.00 0.00 H new ATOM 0 HG SER A 58 60.586 1.300 8.073 1.00 0.00 H new ATOM 932 N ASN A 59 61.214 -1.033 5.220 1.00 0.00 N ATOM 933 CA ASN A 59 62.429 -1.691 4.645 1.00 0.00 C ATOM 934 C ASN A 59 62.071 -2.466 3.372 1.00 0.00 C ATOM 935 O ASN A 59 62.812 -2.484 2.408 1.00 0.00 O ATOM 936 CB ASN A 59 62.931 -2.631 5.754 1.00 0.00 C ATOM 937 CG ASN A 59 61.997 -3.839 5.931 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.832 -3.680 6.241 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.465 -5.043 5.743 1.00 0.00 N ATOM 0 H ASN A 59 60.976 -1.321 6.169 1.00 0.00 H new ATOM 0 HA ASN A 59 63.193 -0.971 4.353 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.935 -2.978 5.512 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.001 -2.083 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.853 -5.851 5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.442 -5.175 5.483 1.00 0.00 H new ATOM 946 N TYR A 60 60.944 -3.115 3.389 1.00 0.00 N ATOM 947 CA TYR A 60 60.511 -3.918 2.201 1.00 0.00 C ATOM 948 C TYR A 60 60.382 -3.034 0.955 1.00 0.00 C ATOM 949 O TYR A 60 60.712 -3.453 -0.139 1.00 0.00 O ATOM 950 CB TYR A 60 59.148 -4.502 2.586 1.00 0.00 C ATOM 951 CG TYR A 60 59.309 -5.948 2.994 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.849 -6.265 4.246 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.915 -6.971 2.123 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.996 -7.605 4.626 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.062 -8.310 2.503 1.00 0.00 C ATOM 956 CZ TYR A 60 59.603 -8.627 3.755 1.00 0.00 C ATOM 957 OH TYR A 60 59.748 -9.947 4.130 1.00 0.00 O ATOM 0 H TYR A 60 60.296 -3.128 4.176 1.00 0.00 H new ATOM 0 HA TYR A 60 61.237 -4.693 1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.715 -3.929 3.406 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.459 -4.426 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.152 -5.476 4.919 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.497 -6.727 1.157 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.413 -7.850 5.592 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.758 -9.099 1.831 1.00 0.00 H new ATOM 0 HH TYR A 60 59.426 -10.529 3.410 1.00 0.00 H new ATOM 967 N VAL A 61 59.902 -1.822 1.102 1.00 0.00 N ATOM 968 CA VAL A 61 59.755 -0.930 -0.094 1.00 0.00 C ATOM 969 C VAL A 61 60.840 0.147 -0.114 1.00 0.00 C ATOM 970 O VAL A 61 61.555 0.348 0.849 1.00 0.00 O ATOM 971 CB VAL A 61 58.374 -0.276 0.026 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.289 -1.351 -0.059 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.256 0.464 1.363 1.00 0.00 C ATOM 0 H VAL A 61 59.608 -1.414 1.989 1.00 0.00 H new ATOM 0 HA VAL A 61 59.855 -1.503 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 61 58.247 0.437 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.307 -0.885 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.363 -1.868 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.422 -2.067 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.271 0.925 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.390 -0.242 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.023 1.236 1.420 1.00 0.00 H new ATOM 983 N THR A 62 60.951 0.844 -1.213 1.00 0.00 N ATOM 984 CA THR A 62 61.968 1.926 -1.332 1.00 0.00 C ATOM 985 C THR A 62 61.375 3.080 -2.157 1.00 0.00 C ATOM 986 O THR A 62 60.205 3.380 -2.039 1.00 0.00 O ATOM 987 CB THR A 62 63.167 1.266 -2.033 1.00 0.00 C ATOM 988 OG1 THR A 62 64.208 2.222 -2.179 1.00 0.00 O ATOM 989 CG2 THR A 62 62.750 0.751 -3.414 1.00 0.00 C ATOM 0 H THR A 62 60.373 0.707 -2.042 1.00 0.00 H new ATOM 0 HA THR A 62 62.271 2.351 -0.375 1.00 0.00 H new ATOM 0 HB THR A 62 63.517 0.427 -1.432 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.975 1.805 -2.624 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.606 0.285 -3.902 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.952 0.017 -3.303 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.395 1.584 -4.021 1.00 0.00 H new ATOM 997 N GLU A 63 62.154 3.725 -2.989 1.00 0.00 N ATOM 998 CA GLU A 63 61.607 4.843 -3.810 1.00 0.00 C ATOM 999 C GLU A 63 60.925 4.288 -5.059 1.00 0.00 C ATOM 1000 O GLU A 63 61.432 3.399 -5.713 1.00 0.00 O ATOM 1001 CB GLU A 63 62.816 5.703 -4.181 1.00 0.00 C ATOM 1002 CG GLU A 63 62.899 6.907 -3.237 1.00 0.00 C ATOM 1003 CD GLU A 63 62.240 8.121 -3.894 1.00 0.00 C ATOM 1004 OE1 GLU A 63 62.429 8.300 -5.086 1.00 0.00 O ATOM 1005 OE2 GLU A 63 61.559 8.851 -3.193 1.00 0.00 O ATOM 0 H GLU A 63 63.144 3.524 -3.134 1.00 0.00 H new ATOM 0 HA GLU A 63 60.857 5.424 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.730 5.112 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.731 6.043 -5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.403 6.677 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.941 7.128 -3.004 1.00 0.00 H new ATOM 1012 N ALA A 64 59.765 4.803 -5.380 1.00 0.00 N ATOM 1013 CA ALA A 64 59.000 4.314 -6.575 1.00 0.00 C ATOM 1014 C ALA A 64 59.897 4.212 -7.819 1.00 0.00 C ATOM 1015 O ALA A 64 61.031 4.656 -7.814 1.00 0.00 O ATOM 1016 CB ALA A 64 57.926 5.369 -6.801 1.00 0.00 C ATOM 0 H ALA A 64 59.307 5.551 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 64 58.594 3.317 -6.406 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.317 5.090 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.294 5.440 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.397 6.334 -6.988 1.00 0.00 H new ATOM 1022 N GLU A 65 59.391 3.642 -8.883 1.00 0.00 N ATOM 1023 CA GLU A 65 60.202 3.517 -10.133 1.00 0.00 C ATOM 1024 C GLU A 65 59.315 3.732 -11.362 1.00 0.00 C ATOM 1025 O GLU A 65 58.394 2.975 -11.611 1.00 0.00 O ATOM 1026 CB GLU A 65 60.753 2.091 -10.114 1.00 0.00 C ATOM 1027 CG GLU A 65 62.178 2.098 -9.554 1.00 0.00 C ATOM 1028 CD GLU A 65 62.666 0.659 -9.379 1.00 0.00 C ATOM 1029 OE1 GLU A 65 62.867 -0.003 -10.384 1.00 0.00 O ATOM 1030 OE2 GLU A 65 62.833 0.245 -8.244 1.00 0.00 O ATOM 0 H GLU A 65 58.448 3.257 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 65 60.999 4.259 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.115 1.452 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 65 60.750 1.676 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 65 62.842 2.639 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 65 62.201 2.620 -8.597 1.00 0.00 H new ATOM 1037 N ASP A 66 59.587 4.756 -12.129 1.00 0.00 N ATOM 1038 CA ASP A 66 58.764 5.029 -13.346 1.00 0.00 C ATOM 1039 C ASP A 66 59.534 4.623 -14.605 1.00 0.00 C ATOM 1040 O ASP A 66 58.958 4.159 -15.571 1.00 0.00 O ATOM 1041 CB ASP A 66 58.519 6.537 -13.329 1.00 0.00 C ATOM 1042 CG ASP A 66 57.221 6.836 -12.577 1.00 0.00 C ATOM 1043 OD1 ASP A 66 56.167 6.536 -13.113 1.00 0.00 O ATOM 1044 OD2 ASP A 66 57.302 7.359 -11.478 1.00 0.00 O ATOM 0 H ASP A 66 60.346 5.417 -11.965 1.00 0.00 H new ATOM 0 HA ASP A 66 57.831 4.466 -13.349 1.00 0.00 H new ATOM 0 HB2 ASP A 66 59.355 7.046 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 66 58.457 6.917 -14.349 1.00 0.00 H new ATOM 1049 N SER A 67 60.831 4.798 -14.599 1.00 0.00 N ATOM 1050 CA SER A 67 61.649 4.426 -15.793 1.00 0.00 C ATOM 1051 C SER A 67 62.286 3.049 -15.589 1.00 0.00 C ATOM 1052 O SER A 67 63.203 2.727 -16.328 1.00 0.00 O ATOM 1053 CB SER A 67 62.725 5.507 -15.887 1.00 0.00 C ATOM 1054 OG SER A 67 62.223 6.606 -16.636 1.00 0.00 O ATOM 1055 OXT SER A 67 61.847 2.342 -14.698 1.00 0.00 O ATOM 0 H SER A 67 61.360 5.183 -13.817 1.00 0.00 H new ATOM 0 HA SER A 67 61.051 4.367 -16.702 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.015 5.835 -14.889 1.00 0.00 H new ATOM 0 HB3 SER A 67 63.619 5.106 -16.364 1.00 0.00 H new ATOM 0 HG SER A 67 62.910 7.302 -16.697 1.00 0.00 H new TER 1061 SER A 67