USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 666 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 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 ASN : amide:sc= -9.12! C(o=-9.1!,f=-6.1!) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -167:sc= -0.153 (180deg=-0.393) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.89 K(o=-2.4,f=-0.38) USER MOD Set 2.3: A 62 SER OG : rot 109:sc= -0.321 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= -0.235 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -145:sc= -6.66! (180deg=-10.6!) USER MOD Single : A 19 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.41) USER MOD Single : A 23 TYR OH : rot -4:sc= 0.884 USER MOD Single : A 25 THR OG1 : rot -86:sc= -2.95! USER MOD Single : A 30 GLN : amide:sc= -6.02! C(o=-6!,f=-12!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 156:sc= -0.0806 (180deg=-0.942) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -138:sc= -2.07 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -1.47 (180deg=-2.53!) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -1.05 (180deg=-1.9) USER MOD Single : A 51 SER OG : rot 63:sc= 1.23 USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -0.116 (180deg=-0.649) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 154:sc= -12.6! (180deg=-15.4!) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc= 1.34 (180deg=0.729) USER MOD Single : A 67 SER OG : rot 140:sc= 0.314! USER MOD Single : A 68 LYS NZ :NH3+ -154:sc= -2.15! (180deg=-3.13!) USER MOD Single : A 73 ASN : amide:sc= -11! C(o=-11!,f=-14!) USER MOD Single : A 80 CYS SG : rot 7:sc= -0.319 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.008 11.068 3.011 1.00 0.00 N ATOM 2 CA MET A 1 -28.852 11.951 2.711 1.00 0.00 C ATOM 3 C MET A 1 -28.004 12.192 3.957 1.00 0.00 C ATOM 4 O MET A 1 -28.316 13.060 4.773 1.00 0.00 O ATOM 5 CB MET A 1 -29.381 13.279 2.167 1.00 0.00 C ATOM 6 CG MET A 1 -28.547 13.847 1.030 1.00 0.00 C ATOM 7 SD MET A 1 -28.565 12.796 -0.436 1.00 0.00 S ATOM 8 CE MET A 1 -27.755 13.862 -1.626 1.00 0.00 C ATOM 0 H1 MET A 1 -30.567 10.922 2.146 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.663 10.151 3.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.605 11.512 3.737 1.00 0.00 H new ATOM 0 HA MET A 1 -28.216 11.468 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 -30.405 13.138 1.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.417 14.006 2.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.922 14.836 0.768 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.519 13.976 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 -27.690 13.351 -2.587 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.330 14.781 -1.741 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.752 14.103 -1.275 1.00 0.00 H new ATOM 20 N ALA A 2 -26.932 11.420 4.097 1.00 0.00 N ATOM 21 CA ALA A 2 -26.040 11.550 5.243 1.00 0.00 C ATOM 22 C ALA A 2 -24.646 11.987 4.806 1.00 0.00 C ATOM 23 O ALA A 2 -24.360 12.086 3.613 1.00 0.00 O ATOM 24 CB ALA A 2 -25.968 10.235 6.004 1.00 0.00 C ATOM 0 H ALA A 2 -26.660 10.697 3.431 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.443 12.319 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -25.299 10.345 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -26.963 9.963 6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.590 9.453 5.345 1.00 0.00 H new ATOM 30 N CYS A 3 -23.781 12.249 5.781 1.00 0.00 N ATOM 31 CA CYS A 3 -22.416 12.676 5.498 1.00 0.00 C ATOM 32 C CYS A 3 -21.560 11.498 5.045 1.00 0.00 C ATOM 33 O CYS A 3 -20.767 11.619 4.112 1.00 0.00 O ATOM 34 CB CYS A 3 -21.795 13.326 6.736 1.00 0.00 C ATOM 35 SG CYS A 3 -21.826 12.281 8.211 1.00 0.00 S ATOM 0 H CYS A 3 -24.002 12.173 6.774 1.00 0.00 H new ATOM 0 HA CYS A 3 -22.451 13.408 4.691 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -20.762 13.592 6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -22.324 14.254 6.950 1.00 0.00 H new ATOM 0 HG CYS A 3 -21.277 12.916 9.204 1.00 0.00 H new ATOM 41 N LYS A 4 -21.730 10.358 5.714 1.00 0.00 N ATOM 42 CA LYS A 4 -20.981 9.142 5.393 1.00 0.00 C ATOM 43 C LYS A 4 -19.500 9.439 5.156 1.00 0.00 C ATOM 44 O LYS A 4 -19.104 9.840 4.061 1.00 0.00 O ATOM 45 CB LYS A 4 -21.580 8.446 4.167 1.00 0.00 C ATOM 46 CG LYS A 4 -21.814 9.370 2.982 1.00 0.00 C ATOM 47 CD LYS A 4 -22.305 8.600 1.766 1.00 0.00 C ATOM 48 CE LYS A 4 -21.711 9.152 0.481 1.00 0.00 C ATOM 49 NZ LYS A 4 -22.674 9.079 -0.652 1.00 0.00 N ATOM 0 H LYS A 4 -22.385 10.251 6.488 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.058 8.476 6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -20.915 7.639 3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.528 7.988 4.449 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -22.545 10.132 3.252 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.888 9.890 2.736 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -22.039 7.548 1.868 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -23.393 8.651 1.717 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.410 10.188 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -20.810 8.593 0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.231 9.465 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.942 8.088 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -23.523 9.633 -0.422 1.00 0.00 H new ATOM 63 N VAL A 5 -18.687 9.232 6.189 1.00 0.00 N ATOM 64 CA VAL A 5 -17.250 9.473 6.099 1.00 0.00 C ATOM 65 C VAL A 5 -16.659 8.824 4.848 1.00 0.00 C ATOM 66 O VAL A 5 -17.267 7.935 4.254 1.00 0.00 O ATOM 67 CB VAL A 5 -16.512 8.935 7.340 1.00 0.00 C ATOM 68 CG1 VAL A 5 -15.057 9.374 7.335 1.00 0.00 C ATOM 69 CG2 VAL A 5 -17.209 9.390 8.614 1.00 0.00 C ATOM 0 H VAL A 5 -19.000 8.897 7.100 1.00 0.00 H new ATOM 0 HA VAL A 5 -17.114 10.553 6.043 1.00 0.00 H new ATOM 0 HB VAL A 5 -16.536 7.846 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.556 8.983 8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.565 8.992 6.441 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -15.005 10.463 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.674 9.001 9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -17.220 10.479 8.654 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -18.233 9.016 8.622 1.00 0.00 H new ATOM 79 N LYS A 6 -15.474 9.282 4.451 1.00 0.00 N ATOM 80 CA LYS A 6 -14.804 8.749 3.269 1.00 0.00 C ATOM 81 C LYS A 6 -14.496 7.264 3.433 1.00 0.00 C ATOM 82 O LYS A 6 -13.368 6.883 3.748 1.00 0.00 O ATOM 83 CB LYS A 6 -13.513 9.524 2.997 1.00 0.00 C ATOM 84 CG LYS A 6 -13.681 10.649 1.988 1.00 0.00 C ATOM 85 CD LYS A 6 -14.031 10.113 0.609 1.00 0.00 C ATOM 86 CE LYS A 6 -15.086 10.971 -0.072 1.00 0.00 C ATOM 87 NZ LYS A 6 -15.816 10.219 -1.129 1.00 0.00 N ATOM 0 H LYS A 6 -14.959 10.020 4.930 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.477 8.866 2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.144 9.940 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -12.753 8.832 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -14.464 11.328 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -12.760 11.229 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.133 10.080 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.395 9.089 0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.796 11.332 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.612 11.848 -0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.526 10.839 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.143 9.896 -1.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -16.290 9.396 -0.705 1.00 0.00 H new ATOM 101 N ALA A 7 -15.504 6.428 3.211 1.00 0.00 N ATOM 102 CA ALA A 7 -15.360 4.984 3.320 1.00 0.00 C ATOM 103 C ALA A 7 -14.667 4.397 2.094 1.00 0.00 C ATOM 104 O ALA A 7 -15.032 3.318 1.625 1.00 0.00 O ATOM 105 CB ALA A 7 -16.720 4.333 3.523 1.00 0.00 C ATOM 0 H ALA A 7 -16.442 6.733 2.951 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.733 4.775 4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -16.598 3.253 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.174 4.716 4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -17.364 4.564 2.674 1.00 0.00 H new ATOM 111 N GLU A 8 -13.663 5.100 1.584 1.00 0.00 N ATOM 112 CA GLU A 8 -12.921 4.636 0.425 1.00 0.00 C ATOM 113 C GLU A 8 -11.854 3.656 0.861 1.00 0.00 C ATOM 114 O GLU A 8 -11.462 2.763 0.111 1.00 0.00 O ATOM 115 CB GLU A 8 -12.291 5.812 -0.313 1.00 0.00 C ATOM 116 CG GLU A 8 -13.284 6.913 -0.626 1.00 0.00 C ATOM 117 CD GLU A 8 -12.658 8.073 -1.371 1.00 0.00 C ATOM 118 OE1 GLU A 8 -11.669 8.643 -0.861 1.00 0.00 O ATOM 119 OE2 GLU A 8 -13.156 8.414 -2.465 1.00 0.00 O ATOM 0 H GLU A 8 -13.346 5.995 1.958 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.608 4.135 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.481 6.221 0.291 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.847 5.455 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.099 6.502 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.721 7.277 0.304 1.00 0.00 H new ATOM 126 N LEU A 9 -11.407 3.817 2.098 1.00 0.00 N ATOM 127 CA LEU A 9 -10.405 2.929 2.655 1.00 0.00 C ATOM 128 C LEU A 9 -10.999 1.537 2.811 1.00 0.00 C ATOM 129 O LEU A 9 -10.294 0.529 2.791 1.00 0.00 O ATOM 130 CB LEU A 9 -9.867 3.461 3.995 1.00 0.00 C ATOM 131 CG LEU A 9 -10.796 3.347 5.212 1.00 0.00 C ATOM 132 CD1 LEU A 9 -12.066 4.160 5.014 1.00 0.00 C ATOM 133 CD2 LEU A 9 -11.128 1.893 5.511 1.00 0.00 C ATOM 0 H LEU A 9 -11.723 4.552 2.731 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.557 2.879 1.972 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.942 2.931 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.608 4.512 3.863 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.266 3.758 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.703 4.059 5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.808 5.209 4.872 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.598 3.795 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.787 1.841 6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.626 1.449 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.209 1.346 5.721 1.00 0.00 H new ATOM 145 N GLU A 10 -12.310 1.507 2.981 1.00 0.00 N ATOM 146 CA GLU A 10 -13.048 0.274 3.159 1.00 0.00 C ATOM 147 C GLU A 10 -13.056 -0.561 1.890 1.00 0.00 C ATOM 148 O GLU A 10 -13.282 -1.766 1.929 1.00 0.00 O ATOM 149 CB GLU A 10 -14.480 0.599 3.585 1.00 0.00 C ATOM 150 CG GLU A 10 -15.522 0.446 2.482 1.00 0.00 C ATOM 151 CD GLU A 10 -16.806 1.194 2.784 1.00 0.00 C ATOM 152 OE1 GLU A 10 -17.253 1.157 3.950 1.00 0.00 O ATOM 153 OE2 GLU A 10 -17.363 1.813 1.856 1.00 0.00 O ATOM 0 H GLU A 10 -12.893 2.344 2.999 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.555 -0.313 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.753 -0.050 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.511 1.623 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.107 0.810 1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -15.746 -0.612 2.343 1.00 0.00 H new ATOM 160 N ALA A 11 -12.832 0.090 0.764 1.00 0.00 N ATOM 161 CA ALA A 11 -12.844 -0.599 -0.509 1.00 0.00 C ATOM 162 C ALA A 11 -11.675 -1.543 -0.625 1.00 0.00 C ATOM 163 O ALA A 11 -11.837 -2.754 -0.809 1.00 0.00 O ATOM 164 CB ALA A 11 -12.818 0.399 -1.655 1.00 0.00 C ATOM 0 H ALA A 11 -12.641 1.090 0.706 1.00 0.00 H new ATOM 0 HA ALA A 11 -13.764 -1.181 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.827 -0.137 -2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.694 1.045 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.914 1.005 -1.589 1.00 0.00 H new ATOM 170 N ALA A 12 -10.494 -0.974 -0.510 1.00 0.00 N ATOM 171 CA ALA A 12 -9.280 -1.743 -0.615 1.00 0.00 C ATOM 172 C ALA A 12 -9.218 -2.805 0.437 1.00 0.00 C ATOM 173 O ALA A 12 -8.780 -3.908 0.169 1.00 0.00 O ATOM 174 CB ALA A 12 -8.062 -0.850 -0.545 1.00 0.00 C ATOM 0 H ALA A 12 -10.352 0.022 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.285 -2.234 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.160 -1.457 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.091 -0.131 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.056 -0.317 0.406 1.00 0.00 H new ATOM 180 N PHE A 13 -9.668 -2.470 1.627 1.00 0.00 N ATOM 181 CA PHE A 13 -9.664 -3.420 2.715 1.00 0.00 C ATOM 182 C PHE A 13 -10.585 -4.592 2.391 1.00 0.00 C ATOM 183 O PHE A 13 -10.174 -5.770 2.400 1.00 0.00 O ATOM 184 CB PHE A 13 -10.086 -2.737 4.014 1.00 0.00 C ATOM 185 CG PHE A 13 -8.952 -2.037 4.711 1.00 0.00 C ATOM 186 CD1 PHE A 13 -7.988 -1.353 3.985 1.00 0.00 C ATOM 187 CD2 PHE A 13 -8.849 -2.066 6.091 1.00 0.00 C ATOM 188 CE1 PHE A 13 -6.946 -0.712 4.625 1.00 0.00 C ATOM 189 CE2 PHE A 13 -7.808 -1.427 6.737 1.00 0.00 C ATOM 190 CZ PHE A 13 -6.855 -0.748 6.002 1.00 0.00 C ATOM 0 H PHE A 13 -10.040 -1.550 1.864 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.653 -3.805 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -10.873 -2.014 3.798 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.513 -3.481 4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.053 -1.322 2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -9.592 -2.595 6.670 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.202 -0.182 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.739 -1.458 7.814 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.041 -0.247 6.504 1.00 0.00 H new ATOM 200 N LYS A 14 -11.833 -4.262 2.073 1.00 0.00 N ATOM 201 CA LYS A 14 -12.813 -5.279 1.732 1.00 0.00 C ATOM 202 C LYS A 14 -12.277 -6.183 0.633 1.00 0.00 C ATOM 203 O LYS A 14 -12.626 -7.361 0.568 1.00 0.00 O ATOM 204 CB LYS A 14 -14.140 -4.646 1.308 1.00 0.00 C ATOM 205 CG LYS A 14 -15.198 -4.667 2.401 1.00 0.00 C ATOM 206 CD LYS A 14 -15.294 -3.328 3.113 1.00 0.00 C ATOM 207 CE LYS A 14 -14.144 -3.128 4.087 1.00 0.00 C ATOM 208 NZ LYS A 14 -14.524 -3.493 5.479 1.00 0.00 N ATOM 0 H LYS A 14 -12.185 -3.305 2.045 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.999 -5.882 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.961 -3.614 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.522 -5.173 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.166 -4.919 1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.960 -5.448 3.124 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.293 -2.523 2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.241 -3.268 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.293 -3.733 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.823 -2.087 4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.712 -3.342 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.319 -2.899 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.806 -4.493 5.511 1.00 0.00 H new ATOM 222 N LYS A 15 -11.378 -5.651 -0.192 1.00 0.00 N ATOM 223 CA LYS A 15 -10.760 -6.471 -1.229 1.00 0.00 C ATOM 224 C LYS A 15 -9.374 -6.854 -0.783 1.00 0.00 C ATOM 225 O LYS A 15 -8.818 -7.859 -1.227 1.00 0.00 O ATOM 226 CB LYS A 15 -10.694 -5.789 -2.591 1.00 0.00 C ATOM 227 CG LYS A 15 -10.732 -4.281 -2.556 1.00 0.00 C ATOM 228 CD LYS A 15 -10.113 -3.700 -3.810 1.00 0.00 C ATOM 229 CE LYS A 15 -8.612 -3.901 -3.836 1.00 0.00 C ATOM 230 NZ LYS A 15 -7.915 -2.840 -3.076 1.00 0.00 N ATOM 0 H LYS A 15 -11.067 -4.680 -0.165 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.390 -7.351 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.778 -6.102 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.527 -6.144 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.763 -3.940 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.196 -3.919 -1.679 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.559 -4.169 -4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -10.339 -2.635 -3.868 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.366 -4.875 -3.414 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.261 -3.903 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.011 -2.618 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.509 -1.987 -3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.735 -3.169 -2.106 1.00 0.00 H new ATOM 244 N LEU A 16 -8.824 -6.061 0.129 1.00 0.00 N ATOM 245 CA LEU A 16 -7.518 -6.344 0.655 1.00 0.00 C ATOM 246 C LEU A 16 -7.541 -7.737 1.214 1.00 0.00 C ATOM 247 O LEU A 16 -6.536 -8.418 1.238 1.00 0.00 O ATOM 248 CB LEU A 16 -7.080 -5.296 1.693 1.00 0.00 C ATOM 249 CG LEU A 16 -7.396 -5.555 3.189 1.00 0.00 C ATOM 250 CD1 LEU A 16 -7.005 -6.947 3.644 1.00 0.00 C ATOM 251 CD2 LEU A 16 -6.708 -4.509 4.056 1.00 0.00 C ATOM 0 H LEU A 16 -9.268 -5.225 0.510 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.772 -6.286 -0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.001 -5.169 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.538 -4.346 1.418 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.477 -5.479 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.251 -7.067 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.549 -7.688 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.933 -7.088 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.936 -4.699 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.630 -4.562 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.065 -3.517 3.781 1.00 0.00 H new ATOM 263 N ASP A 17 -8.718 -8.164 1.643 1.00 0.00 N ATOM 264 CA ASP A 17 -8.874 -9.512 2.160 1.00 0.00 C ATOM 265 C ASP A 17 -10.327 -9.897 2.262 1.00 0.00 C ATOM 266 O ASP A 17 -10.842 -10.656 1.441 1.00 0.00 O ATOM 267 CB ASP A 17 -8.205 -9.689 3.521 1.00 0.00 C ATOM 268 CG ASP A 17 -8.180 -11.138 3.969 1.00 0.00 C ATOM 269 OD1 ASP A 17 -9.263 -11.686 4.264 1.00 0.00 O ATOM 270 OD2 ASP A 17 -7.079 -11.724 4.026 1.00 0.00 O ATOM 0 H ASP A 17 -9.570 -7.603 1.644 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.379 -10.171 1.447 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.185 -9.309 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.734 -9.091 4.263 1.00 0.00 H new ATOM 275 N ALA A 18 -10.975 -9.400 3.299 1.00 0.00 N ATOM 276 CA ALA A 18 -12.366 -9.714 3.558 1.00 0.00 C ATOM 277 C ALA A 18 -12.465 -11.164 4.018 1.00 0.00 C ATOM 278 O ALA A 18 -13.058 -11.462 5.055 1.00 0.00 O ATOM 279 CB ALA A 18 -13.231 -9.467 2.330 1.00 0.00 C ATOM 0 H ALA A 18 -10.554 -8.770 3.982 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.741 -9.057 4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.268 -9.713 2.560 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.162 -8.418 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.883 -10.093 1.508 1.00 0.00 H new ATOM 285 N ASN A 19 -11.852 -12.060 3.244 1.00 0.00 N ATOM 286 CA ASN A 19 -11.837 -13.473 3.570 1.00 0.00 C ATOM 287 C ASN A 19 -10.422 -14.047 3.466 1.00 0.00 C ATOM 288 O ASN A 19 -10.028 -14.893 4.267 1.00 0.00 O ATOM 289 CB ASN A 19 -12.809 -14.252 2.671 1.00 0.00 C ATOM 290 CG ASN A 19 -12.180 -14.718 1.369 1.00 0.00 C ATOM 291 OD1 ASN A 19 -12.104 -15.916 1.099 1.00 0.00 O ATOM 292 ND2 ASN A 19 -11.725 -13.772 0.557 1.00 0.00 N ATOM 0 H ASN A 19 -11.359 -11.823 2.383 1.00 0.00 H new ATOM 0 HA ASN A 19 -12.168 -13.581 4.603 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.183 -15.118 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.669 -13.622 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.292 -14.027 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.809 -12.790 0.821 1.00 0.00 H new ATOM 299 N GLY A 20 -9.666 -13.577 2.475 1.00 0.00 N ATOM 300 CA GLY A 20 -8.302 -14.050 2.280 1.00 0.00 C ATOM 301 C GLY A 20 -8.204 -15.565 2.250 1.00 0.00 C ATOM 302 O GLY A 20 -8.236 -16.215 3.295 1.00 0.00 O ATOM 0 H GLY A 20 -9.974 -12.875 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.912 -13.647 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.671 -13.665 3.081 1.00 0.00 H new ATOM 306 N ASP A 21 -8.091 -16.134 1.051 1.00 0.00 N ATOM 307 CA ASP A 21 -8.000 -17.579 0.908 1.00 0.00 C ATOM 308 C ASP A 21 -6.728 -18.009 0.187 1.00 0.00 C ATOM 309 O ASP A 21 -6.046 -18.943 0.607 1.00 0.00 O ATOM 310 CB ASP A 21 -9.225 -18.105 0.156 1.00 0.00 C ATOM 311 CG ASP A 21 -10.041 -19.079 0.985 1.00 0.00 C ATOM 312 OD1 ASP A 21 -10.417 -18.719 2.120 1.00 0.00 O ATOM 313 OD2 ASP A 21 -10.305 -20.197 0.498 1.00 0.00 O ATOM 0 H ASP A 21 -8.061 -15.617 0.172 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.967 -18.004 1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.855 -17.266 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.901 -18.596 -0.761 1.00 0.00 H new ATOM 318 N GLY A 22 -6.430 -17.326 -0.897 1.00 0.00 N ATOM 319 CA GLY A 22 -5.254 -17.634 -1.683 1.00 0.00 C ATOM 320 C GLY A 22 -5.157 -16.699 -2.856 1.00 0.00 C ATOM 321 O GLY A 22 -5.032 -17.123 -4.005 1.00 0.00 O ATOM 0 H GLY A 22 -6.988 -16.551 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.361 -17.548 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.301 -18.665 -2.033 1.00 0.00 H new ATOM 325 N TYR A 23 -5.243 -15.415 -2.553 1.00 0.00 N ATOM 326 CA TYR A 23 -5.195 -14.385 -3.558 1.00 0.00 C ATOM 327 C TYR A 23 -4.588 -13.126 -2.972 1.00 0.00 C ATOM 328 O TYR A 23 -5.088 -12.582 -1.988 1.00 0.00 O ATOM 329 CB TYR A 23 -6.606 -14.104 -4.082 1.00 0.00 C ATOM 330 CG TYR A 23 -7.426 -13.199 -3.186 1.00 0.00 C ATOM 331 CD1 TYR A 23 -7.943 -13.663 -1.981 1.00 0.00 C ATOM 332 CD2 TYR A 23 -7.675 -11.879 -3.540 1.00 0.00 C ATOM 333 CE1 TYR A 23 -8.685 -12.837 -1.158 1.00 0.00 C ATOM 334 CE2 TYR A 23 -8.418 -11.047 -2.722 1.00 0.00 C ATOM 335 CZ TYR A 23 -8.919 -11.532 -1.533 1.00 0.00 C ATOM 336 OH TYR A 23 -9.657 -10.706 -0.717 1.00 0.00 O ATOM 0 H TYR A 23 -5.348 -15.064 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.574 -14.720 -4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.532 -13.650 -5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.132 -15.051 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.762 -14.685 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.282 -11.496 -4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.079 -13.213 -0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.604 -10.024 -3.013 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.987 -11.216 0.052 1.00 0.00 H new ATOM 346 N VAL A 24 -3.508 -12.678 -3.584 1.00 0.00 N ATOM 347 CA VAL A 24 -2.798 -11.487 -3.161 1.00 0.00 C ATOM 348 C VAL A 24 -3.700 -10.509 -2.446 1.00 0.00 C ATOM 349 O VAL A 24 -4.810 -10.233 -2.893 1.00 0.00 O ATOM 350 CB VAL A 24 -2.174 -10.795 -4.359 1.00 0.00 C ATOM 351 CG1 VAL A 24 -1.286 -9.653 -3.899 1.00 0.00 C ATOM 352 CG2 VAL A 24 -1.424 -11.827 -5.179 1.00 0.00 C ATOM 0 H VAL A 24 -3.095 -13.136 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.024 -11.810 -2.465 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.943 -10.353 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.844 -9.164 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.882 -8.931 -3.340 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.494 -10.043 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.970 -11.344 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.645 -12.282 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.117 -12.598 -5.516 1.00 0.00 H new ATOM 362 N THR A 25 -3.223 -10.013 -1.321 1.00 0.00 N ATOM 363 CA THR A 25 -4.007 -9.096 -0.527 1.00 0.00 C ATOM 364 C THR A 25 -3.182 -8.386 0.548 1.00 0.00 C ATOM 365 O THR A 25 -1.969 -8.573 0.638 1.00 0.00 O ATOM 366 CB THR A 25 -5.150 -9.887 0.094 1.00 0.00 C ATOM 367 OG1 THR A 25 -4.748 -11.212 0.385 1.00 0.00 O ATOM 368 CG2 THR A 25 -6.354 -9.967 -0.815 1.00 0.00 C ATOM 0 H THR A 25 -2.302 -10.230 -0.940 1.00 0.00 H new ATOM 0 HA THR A 25 -4.387 -8.303 -1.171 1.00 0.00 H new ATOM 0 HB THR A 25 -5.420 -9.354 1.006 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.873 -11.773 -0.408 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.141 -10.541 -0.326 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.717 -8.961 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.074 -10.456 -1.748 1.00 0.00 H new ATOM 376 N ALA A 26 -3.859 -7.570 1.370 1.00 0.00 N ATOM 377 CA ALA A 26 -3.193 -6.829 2.451 1.00 0.00 C ATOM 378 C ALA A 26 -2.392 -7.770 3.344 1.00 0.00 C ATOM 379 O ALA A 26 -1.554 -7.340 4.155 1.00 0.00 O ATOM 380 CB ALA A 26 -4.192 -6.061 3.295 1.00 0.00 C ATOM 0 H ALA A 26 -4.864 -7.407 1.307 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.515 -6.118 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.665 -5.525 4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.727 -5.349 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.903 -6.757 3.741 1.00 0.00 H new ATOM 386 N LEU A 27 -2.641 -9.062 3.174 1.00 0.00 N ATOM 387 CA LEU A 27 -1.945 -10.090 3.914 1.00 0.00 C ATOM 388 C LEU A 27 -0.449 -9.780 3.955 1.00 0.00 C ATOM 389 O LEU A 27 0.235 -10.117 4.914 1.00 0.00 O ATOM 390 CB LEU A 27 -2.208 -11.423 3.236 1.00 0.00 C ATOM 391 CG LEU A 27 -1.342 -11.691 2.005 1.00 0.00 C ATOM 392 CD1 LEU A 27 -0.209 -12.650 2.335 1.00 0.00 C ATOM 393 CD2 LEU A 27 -2.184 -12.228 0.869 1.00 0.00 C ATOM 0 H LEU A 27 -3.334 -9.420 2.517 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.303 -10.130 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.046 -12.222 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.257 -11.466 2.943 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.901 -10.746 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.392 -12.824 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.417 -12.218 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.623 -13.596 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.550 -12.413 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.658 -13.160 1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.951 -11.499 0.609 1.00 0.00 H new ATOM 405 N GLU A 28 0.026 -9.103 2.905 1.00 0.00 N ATOM 406 CA GLU A 28 1.417 -8.682 2.798 1.00 0.00 C ATOM 407 C GLU A 28 1.540 -7.262 3.343 1.00 0.00 C ATOM 408 O GLU A 28 2.587 -6.846 3.874 1.00 0.00 O ATOM 409 CB GLU A 28 1.889 -8.739 1.347 1.00 0.00 C ATOM 410 CG GLU A 28 1.112 -7.818 0.420 1.00 0.00 C ATOM 411 CD GLU A 28 1.724 -6.434 0.322 1.00 0.00 C ATOM 412 OE1 GLU A 28 2.653 -6.137 1.104 1.00 0.00 O ATOM 413 OE2 GLU A 28 1.274 -5.645 -0.535 1.00 0.00 O ATOM 0 H GLU A 28 -0.548 -8.833 2.106 1.00 0.00 H new ATOM 0 HA GLU A 28 2.047 -9.356 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.946 -8.475 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.802 -9.763 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.068 -8.263 -0.574 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.085 -7.732 0.776 1.00 0.00 H new ATOM 420 N LEU A 29 0.435 -6.527 3.242 1.00 0.00 N ATOM 421 CA LEU A 29 0.380 -5.168 3.763 1.00 0.00 C ATOM 422 C LEU A 29 0.863 -5.200 5.196 1.00 0.00 C ATOM 423 O LEU A 29 1.588 -4.319 5.647 1.00 0.00 O ATOM 424 CB LEU A 29 -1.046 -4.604 3.712 1.00 0.00 C ATOM 425 CG LEU A 29 -1.242 -3.343 2.870 1.00 0.00 C ATOM 426 CD1 LEU A 29 -1.070 -3.657 1.393 1.00 0.00 C ATOM 427 CD2 LEU A 29 -2.618 -2.734 3.138 1.00 0.00 C ATOM 0 H LEU A 29 -0.429 -6.850 2.806 1.00 0.00 H new ATOM 0 HA LEU A 29 1.010 -4.523 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.708 -5.380 3.327 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.366 -4.389 4.731 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.483 -2.614 3.153 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.213 -2.748 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.067 -4.047 1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.806 -4.402 1.091 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.743 -1.837 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.392 -3.457 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.701 -2.473 4.193 1.00 0.00 H new ATOM 439 N GLN A 30 0.477 -6.260 5.893 1.00 0.00 N ATOM 440 CA GLN A 30 0.905 -6.445 7.272 1.00 0.00 C ATOM 441 C GLN A 30 2.433 -6.425 7.323 1.00 0.00 C ATOM 442 O GLN A 30 3.039 -5.869 8.242 1.00 0.00 O ATOM 443 CB GLN A 30 0.332 -7.757 7.842 1.00 0.00 C ATOM 444 CG GLN A 30 1.372 -8.744 8.369 1.00 0.00 C ATOM 445 CD GLN A 30 2.162 -9.455 7.274 1.00 0.00 C ATOM 446 OE1 GLN A 30 1.913 -9.236 6.088 1.00 0.00 O ATOM 447 NE2 GLN A 30 3.113 -10.307 7.653 1.00 0.00 N ATOM 0 H GLN A 30 -0.126 -6.998 5.530 1.00 0.00 H new ATOM 0 HA GLN A 30 0.525 -5.634 7.893 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.357 -7.513 8.651 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.251 -8.249 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.068 -8.212 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.870 -9.491 8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.292 -10.464 8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.663 -10.803 6.951 1.00 0.00 H new ATOM 456 N THR A 31 3.041 -6.990 6.286 1.00 0.00 N ATOM 457 CA THR A 31 4.483 -7.014 6.156 1.00 0.00 C ATOM 458 C THR A 31 4.938 -5.596 5.923 1.00 0.00 C ATOM 459 O THR A 31 5.903 -5.115 6.518 1.00 0.00 O ATOM 460 CB THR A 31 4.912 -7.946 5.008 1.00 0.00 C ATOM 461 OG1 THR A 31 5.952 -8.808 5.430 1.00 0.00 O ATOM 462 CG2 THR A 31 5.398 -7.229 3.760 1.00 0.00 C ATOM 0 H THR A 31 2.545 -7.441 5.517 1.00 0.00 H new ATOM 0 HA THR A 31 4.947 -7.407 7.061 1.00 0.00 H new ATOM 0 HB THR A 31 4.006 -8.493 4.748 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.212 -9.395 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.679 -7.963 3.005 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.601 -6.595 3.371 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.263 -6.614 4.007 1.00 0.00 H new ATOM 470 N PHE A 32 4.183 -4.911 5.083 1.00 0.00 N ATOM 471 CA PHE A 32 4.460 -3.514 4.800 1.00 0.00 C ATOM 472 C PHE A 32 4.410 -2.725 6.107 1.00 0.00 C ATOM 473 O PHE A 32 5.354 -2.022 6.478 1.00 0.00 O ATOM 474 CB PHE A 32 3.424 -2.974 3.811 1.00 0.00 C ATOM 475 CG PHE A 32 3.766 -1.644 3.204 1.00 0.00 C ATOM 476 CD1 PHE A 32 4.561 -1.566 2.071 1.00 0.00 C ATOM 477 CD2 PHE A 32 3.280 -0.473 3.761 1.00 0.00 C ATOM 478 CE1 PHE A 32 4.868 -0.340 1.508 1.00 0.00 C ATOM 479 CE2 PHE A 32 3.583 0.754 3.203 1.00 0.00 C ATOM 480 CZ PHE A 32 4.378 0.821 2.075 1.00 0.00 C ATOM 0 H PHE A 32 3.379 -5.296 4.588 1.00 0.00 H new ATOM 0 HA PHE A 32 5.450 -3.412 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.295 -3.701 3.009 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.465 -2.889 4.322 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.944 -2.471 1.623 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.657 -0.519 4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.490 -0.290 0.626 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.199 1.660 3.648 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.616 1.779 1.637 1.00 0.00 H new ATOM 490 N MET A 33 3.292 -2.874 6.802 1.00 0.00 N ATOM 491 CA MET A 33 3.068 -2.199 8.075 1.00 0.00 C ATOM 492 C MET A 33 4.030 -2.671 9.158 1.00 0.00 C ATOM 493 O MET A 33 4.375 -1.907 10.058 1.00 0.00 O ATOM 494 CB MET A 33 1.624 -2.404 8.534 1.00 0.00 C ATOM 495 CG MET A 33 0.600 -1.698 7.659 1.00 0.00 C ATOM 496 SD MET A 33 -0.917 -2.648 7.458 1.00 0.00 S ATOM 497 CE MET A 33 -1.207 -3.184 9.142 1.00 0.00 C ATOM 0 H MET A 33 2.516 -3.464 6.502 1.00 0.00 H new ATOM 0 HA MET A 33 3.255 -1.137 7.913 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.404 -3.471 8.547 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.523 -2.045 9.558 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.361 -0.729 8.096 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.036 -1.507 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.267 -3.398 9.278 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.626 -4.084 9.342 1.00 0.00 H new ATOM 0 HE3 MET A 33 -0.904 -2.396 9.832 1.00 0.00 H new ATOM 507 N VAL A 34 4.472 -3.919 9.084 1.00 0.00 N ATOM 508 CA VAL A 34 5.405 -4.420 10.093 1.00 0.00 C ATOM 509 C VAL A 34 6.837 -4.091 9.706 1.00 0.00 C ATOM 510 O VAL A 34 7.689 -3.874 10.568 1.00 0.00 O ATOM 511 CB VAL A 34 5.264 -5.934 10.359 1.00 0.00 C ATOM 512 CG1 VAL A 34 3.823 -6.280 10.695 1.00 0.00 C ATOM 513 CG2 VAL A 34 5.763 -6.751 9.181 1.00 0.00 C ATOM 0 H VAL A 34 4.212 -4.589 8.360 1.00 0.00 H new ATOM 0 HA VAL A 34 5.148 -3.912 11.023 1.00 0.00 H new ATOM 0 HB VAL A 34 5.887 -6.187 11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.740 -7.351 10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.516 -5.733 11.586 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.179 -6.005 9.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.650 -7.813 9.401 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.183 -6.500 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.815 -6.528 9.003 1.00 0.00 H new ATOM 523 N THR A 35 7.090 -4.022 8.407 1.00 0.00 N ATOM 524 CA THR A 35 8.413 -3.679 7.916 1.00 0.00 C ATOM 525 C THR A 35 8.552 -2.162 7.824 1.00 0.00 C ATOM 526 O THR A 35 9.659 -1.631 7.735 1.00 0.00 O ATOM 527 CB THR A 35 8.688 -4.360 6.562 1.00 0.00 C ATOM 528 OG1 THR A 35 10.014 -4.853 6.515 1.00 0.00 O ATOM 529 CG2 THR A 35 8.495 -3.468 5.350 1.00 0.00 C ATOM 0 H THR A 35 6.399 -4.198 7.678 1.00 0.00 H new ATOM 0 HA THR A 35 9.161 -4.047 8.618 1.00 0.00 H new ATOM 0 HB THR A 35 7.949 -5.159 6.507 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.172 -5.284 5.649 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.711 -4.034 4.444 1.00 0.00 H new ATOM 0 HG22 THR A 35 7.465 -3.114 5.319 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.170 -2.615 5.415 1.00 0.00 H new ATOM 537 N LEU A 36 7.413 -1.474 7.861 1.00 0.00 N ATOM 538 CA LEU A 36 7.387 -0.020 7.796 1.00 0.00 C ATOM 539 C LEU A 36 5.992 0.485 8.140 1.00 0.00 C ATOM 540 O LEU A 36 5.265 0.984 7.282 1.00 0.00 O ATOM 541 CB LEU A 36 7.808 0.464 6.407 1.00 0.00 C ATOM 542 CG LEU A 36 7.359 -0.425 5.250 1.00 0.00 C ATOM 543 CD1 LEU A 36 6.011 0.023 4.735 1.00 0.00 C ATOM 544 CD2 LEU A 36 8.393 -0.414 4.133 1.00 0.00 C ATOM 0 H LEU A 36 6.492 -1.906 7.936 1.00 0.00 H new ATOM 0 HA LEU A 36 8.096 0.379 8.521 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.408 1.466 6.252 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.895 0.547 6.381 1.00 0.00 H new ATOM 0 HG LEU A 36 7.265 -1.448 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.704 -0.620 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.276 -0.040 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.079 1.053 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.055 -1.053 3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.521 0.604 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.344 -0.785 4.514 1.00 0.00 H new ATOM 556 N ASP A 37 5.625 0.326 9.408 1.00 0.00 N ATOM 557 CA ASP A 37 4.309 0.735 9.895 1.00 0.00 C ATOM 558 C ASP A 37 3.953 2.157 9.485 1.00 0.00 C ATOM 559 O ASP A 37 2.776 2.513 9.421 1.00 0.00 O ATOM 560 CB ASP A 37 4.249 0.607 11.418 1.00 0.00 C ATOM 561 CG ASP A 37 5.236 1.522 12.115 1.00 0.00 C ATOM 562 OD1 ASP A 37 4.882 2.694 12.368 1.00 0.00 O ATOM 563 OD2 ASP A 37 6.362 1.069 12.408 1.00 0.00 O ATOM 0 H ASP A 37 6.225 -0.086 10.123 1.00 0.00 H new ATOM 0 HA ASP A 37 3.578 0.070 9.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.240 0.838 11.760 1.00 0.00 H new ATOM 0 HB3 ASP A 37 4.453 -0.426 11.701 1.00 0.00 H new ATOM 568 N ALA A 38 4.960 2.973 9.210 1.00 0.00 N ATOM 569 CA ALA A 38 4.715 4.352 8.813 1.00 0.00 C ATOM 570 C ALA A 38 5.676 4.805 7.725 1.00 0.00 C ATOM 571 O ALA A 38 5.991 5.991 7.622 1.00 0.00 O ATOM 572 CB ALA A 38 4.807 5.273 10.020 1.00 0.00 C ATOM 0 H ALA A 38 5.944 2.709 9.254 1.00 0.00 H new ATOM 0 HA ALA A 38 3.707 4.403 8.402 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.622 6.301 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.063 4.978 10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.803 5.201 10.458 1.00 0.00 H new ATOM 578 N TYR A 39 6.143 3.863 6.912 1.00 0.00 N ATOM 579 CA TYR A 39 7.068 4.191 5.833 1.00 0.00 C ATOM 580 C TYR A 39 8.305 4.865 6.404 1.00 0.00 C ATOM 581 O TYR A 39 8.906 5.733 5.773 1.00 0.00 O ATOM 582 CB TYR A 39 6.395 5.102 4.798 1.00 0.00 C ATOM 583 CG TYR A 39 4.882 5.122 4.882 1.00 0.00 C ATOM 584 CD1 TYR A 39 4.122 4.108 4.313 1.00 0.00 C ATOM 585 CD2 TYR A 39 4.217 6.152 5.537 1.00 0.00 C ATOM 586 CE1 TYR A 39 2.741 4.122 4.391 1.00 0.00 C ATOM 587 CE2 TYR A 39 2.838 6.171 5.621 1.00 0.00 C ATOM 588 CZ TYR A 39 2.105 5.155 5.046 1.00 0.00 C ATOM 589 OH TYR A 39 0.732 5.171 5.128 1.00 0.00 O ATOM 0 H TYR A 39 5.899 2.875 6.978 1.00 0.00 H new ATOM 0 HA TYR A 39 7.362 3.269 5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.769 6.118 4.926 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.688 4.778 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.617 3.296 3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.788 6.951 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.164 3.328 3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.337 6.978 6.135 1.00 0.00 H new ATOM 0 HH TYR A 39 0.443 5.966 5.623 1.00 0.00 H new ATOM 599 N LYS A 40 8.673 4.455 7.614 1.00 0.00 N ATOM 600 CA LYS A 40 9.832 5.007 8.298 1.00 0.00 C ATOM 601 C LYS A 40 11.071 4.975 7.408 1.00 0.00 C ATOM 602 O LYS A 40 11.990 5.776 7.577 1.00 0.00 O ATOM 603 CB LYS A 40 10.089 4.224 9.586 1.00 0.00 C ATOM 604 CG LYS A 40 9.213 4.656 10.752 1.00 0.00 C ATOM 605 CD LYS A 40 9.262 6.161 10.971 1.00 0.00 C ATOM 606 CE LYS A 40 8.069 6.856 10.337 1.00 0.00 C ATOM 607 NZ LYS A 40 7.490 7.895 11.234 1.00 0.00 N ATOM 0 H LYS A 40 8.179 3.736 8.143 1.00 0.00 H new ATOM 0 HA LYS A 40 9.623 6.049 8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.926 3.164 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.136 4.339 9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.184 4.350 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.538 4.146 11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.282 6.374 12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.184 6.561 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.374 7.317 9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.304 6.117 10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.679 8.346 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.175 7.452 12.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.212 8.614 11.444 1.00 0.00 H new ATOM 621 N ALA A 41 11.086 4.049 6.457 1.00 0.00 N ATOM 622 CA ALA A 41 12.208 3.915 5.535 1.00 0.00 C ATOM 623 C ALA A 41 11.814 4.314 4.113 1.00 0.00 C ATOM 624 O ALA A 41 12.640 4.278 3.201 1.00 0.00 O ATOM 625 CB ALA A 41 12.738 2.491 5.556 1.00 0.00 C ATOM 0 H ALA A 41 10.333 3.379 6.304 1.00 0.00 H new ATOM 0 HA ALA A 41 12.995 4.593 5.865 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.575 2.404 4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.073 2.242 6.563 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.947 1.804 5.256 1.00 0.00 H new ATOM 631 N LEU A 42 10.551 4.698 3.928 1.00 0.00 N ATOM 632 CA LEU A 42 10.055 5.104 2.619 1.00 0.00 C ATOM 633 C LEU A 42 10.481 4.110 1.538 1.00 0.00 C ATOM 634 O LEU A 42 10.902 2.996 1.845 1.00 0.00 O ATOM 635 CB LEU A 42 10.559 6.510 2.285 1.00 0.00 C ATOM 636 CG LEU A 42 9.986 7.630 3.157 1.00 0.00 C ATOM 637 CD1 LEU A 42 8.476 7.489 3.294 1.00 0.00 C ATOM 638 CD2 LEU A 42 10.654 7.642 4.527 1.00 0.00 C ATOM 0 H LEU A 42 9.854 4.735 4.672 1.00 0.00 H new ATOM 0 HA LEU A 42 8.966 5.115 2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.645 6.521 2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.323 6.725 1.243 1.00 0.00 H new ATOM 0 HG LEU A 42 10.195 8.582 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.090 8.295 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.015 7.541 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.240 6.530 3.755 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.232 8.446 5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.483 6.687 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 11.726 7.802 4.408 1.00 0.00 H new ATOM 650 N SER A 43 10.369 4.516 0.278 1.00 0.00 N ATOM 651 CA SER A 43 10.741 3.660 -0.830 1.00 0.00 C ATOM 652 C SER A 43 12.187 3.896 -1.242 1.00 0.00 C ATOM 653 O SER A 43 12.508 3.907 -2.428 1.00 0.00 O ATOM 654 CB SER A 43 9.811 3.899 -2.022 1.00 0.00 C ATOM 655 OG SER A 43 8.534 3.328 -1.792 1.00 0.00 O ATOM 0 H SER A 43 10.022 5.435 0.004 1.00 0.00 H new ATOM 0 HA SER A 43 10.643 2.625 -0.503 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.708 4.970 -2.199 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.249 3.468 -2.922 1.00 0.00 H new ATOM 0 HG SER A 43 8.220 2.889 -2.610 1.00 0.00 H new ATOM 661 N LYS A 44 13.062 4.076 -0.255 1.00 0.00 N ATOM 662 CA LYS A 44 14.477 4.292 -0.525 1.00 0.00 C ATOM 663 C LYS A 44 15.127 2.998 -1.012 1.00 0.00 C ATOM 664 O LYS A 44 16.172 2.584 -0.509 1.00 0.00 O ATOM 665 CB LYS A 44 15.186 4.812 0.730 1.00 0.00 C ATOM 666 CG LYS A 44 15.796 6.192 0.554 1.00 0.00 C ATOM 667 CD LYS A 44 14.729 7.276 0.547 1.00 0.00 C ATOM 668 CE LYS A 44 14.120 7.449 -0.835 1.00 0.00 C ATOM 669 NZ LYS A 44 13.682 8.852 -1.076 1.00 0.00 N ATOM 0 H LYS A 44 12.815 4.076 0.735 1.00 0.00 H new ATOM 0 HA LYS A 44 14.572 5.043 -1.310 1.00 0.00 H new ATOM 0 HB2 LYS A 44 14.473 4.841 1.554 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.971 4.110 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.505 6.383 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.357 6.226 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.946 7.022 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.165 8.220 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.849 7.161 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.267 6.779 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.272 8.929 -2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.967 9.119 -0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.500 9.489 -0.998 1.00 0.00 H new ATOM 683 N ASP A 45 14.489 2.358 -1.988 1.00 0.00 N ATOM 684 CA ASP A 45 14.981 1.102 -2.547 1.00 0.00 C ATOM 685 C ASP A 45 14.898 -0.026 -1.520 1.00 0.00 C ATOM 686 O ASP A 45 15.601 -1.031 -1.633 1.00 0.00 O ATOM 687 CB ASP A 45 16.421 1.257 -3.040 1.00 0.00 C ATOM 688 CG ASP A 45 16.495 1.556 -4.523 1.00 0.00 C ATOM 689 OD1 ASP A 45 15.849 2.530 -4.966 1.00 0.00 O ATOM 690 OD2 ASP A 45 17.197 0.817 -5.245 1.00 0.00 O ATOM 0 H ASP A 45 13.623 2.692 -2.411 1.00 0.00 H new ATOM 0 HA ASP A 45 14.345 0.844 -3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.907 2.060 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.975 0.342 -2.829 1.00 0.00 H new ATOM 695 N LYS A 46 14.033 0.144 -0.525 1.00 0.00 N ATOM 696 CA LYS A 46 13.857 -0.867 0.514 1.00 0.00 C ATOM 697 C LYS A 46 12.459 -1.476 0.450 1.00 0.00 C ATOM 698 O LYS A 46 12.238 -2.596 0.910 1.00 0.00 O ATOM 699 CB LYS A 46 14.092 -0.258 1.896 1.00 0.00 C ATOM 700 CG LYS A 46 15.509 0.250 2.103 1.00 0.00 C ATOM 701 CD LYS A 46 15.566 1.313 3.186 1.00 0.00 C ATOM 702 CE LYS A 46 14.679 2.499 2.847 1.00 0.00 C ATOM 703 NZ LYS A 46 15.153 3.752 3.496 1.00 0.00 N ATOM 0 H LYS A 46 13.444 0.970 -0.416 1.00 0.00 H new ATOM 0 HA LYS A 46 14.589 -1.656 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.394 0.566 2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.868 -1.006 2.657 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.159 -0.582 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.890 0.661 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.252 0.883 4.137 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.595 1.651 3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.655 2.637 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.657 2.290 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.384 4.453 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.442 3.548 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.964 4.132 2.967 1.00 0.00 H new ATOM 717 N VAL A 47 11.517 -0.729 -0.116 1.00 0.00 N ATOM 718 CA VAL A 47 10.141 -1.196 -0.235 1.00 0.00 C ATOM 719 C VAL A 47 9.961 -2.116 -1.441 1.00 0.00 C ATOM 720 O VAL A 47 9.156 -3.047 -1.405 1.00 0.00 O ATOM 721 CB VAL A 47 9.159 -0.012 -0.353 1.00 0.00 C ATOM 722 CG1 VAL A 47 7.722 -0.509 -0.413 1.00 0.00 C ATOM 723 CG2 VAL A 47 9.346 0.954 0.808 1.00 0.00 C ATOM 0 H VAL A 47 11.681 0.202 -0.499 1.00 0.00 H new ATOM 0 HA VAL A 47 9.922 -1.758 0.673 1.00 0.00 H new ATOM 0 HB VAL A 47 9.373 0.520 -1.280 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.046 0.342 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.597 -1.158 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.492 -1.068 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.645 1.783 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.161 0.434 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.366 1.338 0.801 1.00 0.00 H new ATOM 733 N LYS A 48 10.702 -1.844 -2.511 1.00 0.00 N ATOM 734 CA LYS A 48 10.606 -2.646 -3.731 1.00 0.00 C ATOM 735 C LYS A 48 11.365 -3.956 -3.605 1.00 0.00 C ATOM 736 O LYS A 48 10.987 -4.963 -4.198 1.00 0.00 O ATOM 737 CB LYS A 48 11.129 -1.863 -4.932 1.00 0.00 C ATOM 738 CG LYS A 48 10.879 -0.374 -4.829 1.00 0.00 C ATOM 739 CD LYS A 48 12.122 0.366 -4.370 1.00 0.00 C ATOM 740 CE LYS A 48 11.808 1.800 -3.986 1.00 0.00 C ATOM 741 NZ LYS A 48 10.853 2.436 -4.937 1.00 0.00 N ATOM 0 H LYS A 48 11.374 -1.078 -2.560 1.00 0.00 H new ATOM 0 HA LYS A 48 9.551 -2.877 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.200 -2.039 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.657 -2.242 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.562 0.011 -5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.064 -0.188 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.560 -0.152 -3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.867 0.356 -5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.388 1.822 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.731 2.378 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.846 3.465 -4.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.147 2.231 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.898 2.056 -4.776 1.00 0.00 H new ATOM 755 N GLU A 49 12.434 -3.941 -2.830 1.00 0.00 N ATOM 756 CA GLU A 49 13.235 -5.144 -2.635 1.00 0.00 C ATOM 757 C GLU A 49 12.385 -6.254 -2.039 1.00 0.00 C ATOM 758 O GLU A 49 12.682 -7.438 -2.191 1.00 0.00 O ATOM 759 CB GLU A 49 14.418 -4.858 -1.722 1.00 0.00 C ATOM 760 CG GLU A 49 14.064 -4.015 -0.510 1.00 0.00 C ATOM 761 CD GLU A 49 15.135 -4.053 0.561 1.00 0.00 C ATOM 762 OE1 GLU A 49 16.281 -3.648 0.270 1.00 0.00 O ATOM 763 OE2 GLU A 49 14.829 -4.488 1.692 1.00 0.00 O ATOM 0 H GLU A 49 12.769 -3.119 -2.328 1.00 0.00 H new ATOM 0 HA GLU A 49 13.610 -5.464 -3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.842 -5.804 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.193 -4.348 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.906 -2.983 -0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.122 -4.368 -0.089 1.00 0.00 H new ATOM 770 N ALA A 50 11.319 -5.852 -1.362 1.00 0.00 N ATOM 771 CA ALA A 50 10.406 -6.801 -0.738 1.00 0.00 C ATOM 772 C ALA A 50 9.105 -6.891 -1.521 1.00 0.00 C ATOM 773 O ALA A 50 8.480 -7.951 -1.598 1.00 0.00 O ATOM 774 CB ALA A 50 10.133 -6.403 0.705 1.00 0.00 C ATOM 0 H ALA A 50 11.064 -4.873 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 50 10.876 -7.784 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.449 -7.121 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.069 -6.392 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.684 -5.410 0.730 1.00 0.00 H new ATOM 780 N SER A 51 8.710 -5.772 -2.106 1.00 0.00 N ATOM 781 CA SER A 51 7.489 -5.709 -2.890 1.00 0.00 C ATOM 782 C SER A 51 7.689 -6.355 -4.252 1.00 0.00 C ATOM 783 O SER A 51 6.819 -7.074 -4.745 1.00 0.00 O ATOM 784 CB SER A 51 7.032 -4.260 -3.058 1.00 0.00 C ATOM 785 OG SER A 51 6.776 -3.656 -1.801 1.00 0.00 O ATOM 0 H SER A 51 9.221 -4.891 -2.052 1.00 0.00 H new ATOM 0 HA SER A 51 6.716 -6.260 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.797 -3.693 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.131 -4.228 -3.670 1.00 0.00 H new ATOM 0 HG SER A 51 7.604 -3.624 -1.278 1.00 0.00 H new ATOM 791 N ALA A 52 8.848 -6.101 -4.848 1.00 0.00 N ATOM 792 CA ALA A 52 9.175 -6.663 -6.156 1.00 0.00 C ATOM 793 C ALA A 52 8.930 -8.162 -6.180 1.00 0.00 C ATOM 794 O ALA A 52 8.636 -8.746 -7.223 1.00 0.00 O ATOM 795 CB ALA A 52 10.617 -6.352 -6.526 1.00 0.00 C ATOM 0 H ALA A 52 9.577 -5.510 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 52 8.521 -6.201 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.842 -6.779 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.759 -5.272 -6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 52 11.285 -6.782 -5.780 1.00 0.00 H new ATOM 801 N LYS A 53 9.037 -8.772 -5.012 1.00 0.00 N ATOM 802 CA LYS A 53 8.813 -10.194 -4.866 1.00 0.00 C ATOM 803 C LYS A 53 7.331 -10.460 -4.696 1.00 0.00 C ATOM 804 O LYS A 53 6.764 -11.360 -5.318 1.00 0.00 O ATOM 805 CB LYS A 53 9.575 -10.719 -3.657 1.00 0.00 C ATOM 806 CG LYS A 53 11.077 -10.791 -3.869 1.00 0.00 C ATOM 807 CD LYS A 53 11.677 -9.407 -4.051 1.00 0.00 C ATOM 808 CE LYS A 53 12.106 -9.167 -5.490 1.00 0.00 C ATOM 809 NZ LYS A 53 13.154 -10.131 -5.926 1.00 0.00 N ATOM 0 H LYS A 53 9.281 -8.295 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 53 9.171 -10.707 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.368 -10.077 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.204 -11.713 -3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.544 -11.282 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.294 -11.402 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.947 -8.652 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.537 -9.293 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.240 -9.252 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.484 -8.150 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.764 -9.682 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.729 -10.413 -5.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.702 -10.972 -6.338 1.00 0.00 H new ATOM 823 N LEU A 54 6.714 -9.654 -3.847 1.00 0.00 N ATOM 824 CA LEU A 54 5.293 -9.769 -3.576 1.00 0.00 C ATOM 825 C LEU A 54 4.483 -9.397 -4.809 1.00 0.00 C ATOM 826 O LEU A 54 3.355 -9.857 -4.983 1.00 0.00 O ATOM 827 CB LEU A 54 4.910 -8.880 -2.382 1.00 0.00 C ATOM 828 CG LEU A 54 3.985 -7.696 -2.691 1.00 0.00 C ATOM 829 CD1 LEU A 54 2.557 -8.176 -2.916 1.00 0.00 C ATOM 830 CD2 LEU A 54 4.034 -6.674 -1.565 1.00 0.00 C ATOM 0 H LEU A 54 7.181 -8.908 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 54 5.066 -10.805 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.428 -9.505 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.826 -8.492 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 54 4.333 -7.217 -3.606 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.916 -7.322 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.535 -8.870 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.197 -8.680 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.372 -5.841 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.711 -7.142 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.054 -6.306 -1.452 1.00 0.00 H new ATOM 842 N ILE A 55 5.056 -8.555 -5.660 1.00 0.00 N ATOM 843 CA ILE A 55 4.358 -8.128 -6.867 1.00 0.00 C ATOM 844 C ILE A 55 4.567 -9.098 -8.018 1.00 0.00 C ATOM 845 O ILE A 55 3.786 -9.122 -8.966 1.00 0.00 O ATOM 846 CB ILE A 55 4.797 -6.730 -7.310 1.00 0.00 C ATOM 847 CG1 ILE A 55 6.322 -6.651 -7.374 1.00 0.00 C ATOM 848 CG2 ILE A 55 4.238 -5.689 -6.359 1.00 0.00 C ATOM 849 CD1 ILE A 55 6.845 -6.141 -8.699 1.00 0.00 C ATOM 0 H ILE A 55 5.988 -8.159 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 55 3.299 -8.107 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 55 4.406 -6.530 -8.308 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.678 -5.999 -6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.737 -7.641 -7.185 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.554 -4.696 -6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.149 -5.742 -6.361 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.609 -5.880 -5.352 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.934 -6.111 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.519 -6.806 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.459 -5.138 -8.881 1.00 0.00 H new ATOM 861 N LYS A 56 5.613 -9.903 -7.936 1.00 0.00 N ATOM 862 CA LYS A 56 5.892 -10.875 -8.981 1.00 0.00 C ATOM 863 C LYS A 56 4.716 -11.836 -9.132 1.00 0.00 C ATOM 864 O LYS A 56 4.522 -12.438 -10.187 1.00 0.00 O ATOM 865 CB LYS A 56 7.183 -11.633 -8.645 1.00 0.00 C ATOM 866 CG LYS A 56 7.091 -13.147 -8.784 1.00 0.00 C ATOM 867 CD LYS A 56 6.366 -13.768 -7.600 1.00 0.00 C ATOM 868 CE LYS A 56 6.945 -15.129 -7.242 1.00 0.00 C ATOM 869 NZ LYS A 56 7.883 -15.046 -6.090 1.00 0.00 N ATOM 0 H LYS A 56 6.279 -9.904 -7.163 1.00 0.00 H new ATOM 0 HA LYS A 56 6.029 -10.359 -9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.980 -11.271 -9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.472 -11.393 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.567 -13.398 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.093 -13.569 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.437 -13.103 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.307 -13.873 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.134 -15.817 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.466 -15.541 -8.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.256 -15.993 -5.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.670 -14.410 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.379 -14.677 -5.258 1.00 0.00 H new ATOM 883 N MET A 57 3.924 -11.956 -8.073 1.00 0.00 N ATOM 884 CA MET A 57 2.755 -12.820 -8.089 1.00 0.00 C ATOM 885 C MET A 57 1.472 -12.001 -8.226 1.00 0.00 C ATOM 886 O MET A 57 0.415 -12.540 -8.554 1.00 0.00 O ATOM 887 CB MET A 57 2.697 -13.687 -6.825 1.00 0.00 C ATOM 888 CG MET A 57 3.154 -12.972 -5.563 1.00 0.00 C ATOM 889 SD MET A 57 1.994 -13.158 -4.197 1.00 0.00 S ATOM 890 CE MET A 57 1.350 -11.491 -4.088 1.00 0.00 C ATOM 0 H MET A 57 4.072 -11.464 -7.192 1.00 0.00 H new ATOM 0 HA MET A 57 2.840 -13.476 -8.955 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.674 -14.036 -6.683 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.317 -14.571 -6.974 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.127 -13.361 -5.263 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.287 -11.912 -5.779 1.00 0.00 H new ATOM 0 HE1 MET A 57 0.350 -11.515 -3.656 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.004 -10.889 -3.457 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.304 -11.053 -5.085 1.00 0.00 H new ATOM 900 N ALA A 58 1.568 -10.699 -7.964 1.00 0.00 N ATOM 901 CA ALA A 58 0.406 -9.815 -8.051 1.00 0.00 C ATOM 902 C ALA A 58 0.548 -8.796 -9.178 1.00 0.00 C ATOM 903 O ALA A 58 -0.241 -7.856 -9.280 1.00 0.00 O ATOM 904 CB ALA A 58 0.189 -9.105 -6.724 1.00 0.00 C ATOM 0 H ALA A 58 2.434 -10.234 -7.691 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.463 -10.433 -8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.678 -8.449 -6.800 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.019 -9.843 -5.940 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.071 -8.513 -6.480 1.00 0.00 H new ATOM 910 N ASP A 59 1.558 -8.980 -10.019 1.00 0.00 N ATOM 911 CA ASP A 59 1.803 -8.075 -11.130 1.00 0.00 C ATOM 912 C ASP A 59 1.019 -8.501 -12.366 1.00 0.00 C ATOM 913 O ASP A 59 1.550 -9.169 -13.252 1.00 0.00 O ATOM 914 CB ASP A 59 3.297 -8.021 -11.455 1.00 0.00 C ATOM 915 CG ASP A 59 3.872 -9.391 -11.756 1.00 0.00 C ATOM 916 OD1 ASP A 59 3.461 -10.368 -11.096 1.00 0.00 O ATOM 917 OD2 ASP A 59 4.738 -9.487 -12.654 1.00 0.00 O ATOM 0 H ASP A 59 2.222 -9.751 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 59 1.466 -7.082 -10.833 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.456 -7.367 -12.312 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.833 -7.581 -10.614 1.00 0.00 H new ATOM 922 N LYS A 60 -0.247 -8.105 -12.418 1.00 0.00 N ATOM 923 CA LYS A 60 -1.108 -8.441 -13.550 1.00 0.00 C ATOM 924 C LYS A 60 -1.913 -7.222 -13.984 1.00 0.00 C ATOM 925 O LYS A 60 -1.754 -6.719 -15.096 1.00 0.00 O ATOM 926 CB LYS A 60 -2.056 -9.598 -13.202 1.00 0.00 C ATOM 927 CG LYS A 60 -1.900 -10.131 -11.783 1.00 0.00 C ATOM 928 CD LYS A 60 -2.634 -9.259 -10.776 1.00 0.00 C ATOM 929 CE LYS A 60 -2.570 -9.846 -9.376 1.00 0.00 C ATOM 930 NZ LYS A 60 -3.926 -10.093 -8.813 1.00 0.00 N ATOM 0 H LYS A 60 -0.702 -7.552 -11.692 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.468 -8.759 -14.373 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.084 -9.264 -13.341 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.888 -10.414 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.284 -11.150 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.842 -10.176 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.198 -8.260 -10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.676 -9.151 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.011 -10.782 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.024 -9.166 -8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.849 -10.281 -7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.524 -9.256 -8.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.354 -10.915 -9.285 1.00 0.00 H new ATOM 944 N ASN A 61 -2.766 -6.746 -13.087 1.00 0.00 N ATOM 945 CA ASN A 61 -3.590 -5.572 -13.358 1.00 0.00 C ATOM 946 C ASN A 61 -2.868 -4.310 -12.902 1.00 0.00 C ATOM 947 O ASN A 61 -3.066 -3.227 -13.452 1.00 0.00 O ATOM 948 CB ASN A 61 -4.940 -5.687 -12.642 1.00 0.00 C ATOM 949 CG ASN A 61 -4.795 -6.138 -11.200 1.00 0.00 C ATOM 950 OD1 ASN A 61 -5.154 -7.262 -10.851 1.00 0.00 O ATOM 951 ND2 ASN A 61 -4.268 -5.260 -10.352 1.00 0.00 N ATOM 0 H ASN A 61 -2.907 -7.155 -12.163 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.768 -5.514 -14.432 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.445 -4.722 -12.669 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.574 -6.393 -13.179 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.148 -5.508 -9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.984 -4.338 -10.684 1.00 0.00 H new ATOM 958 N SER A 62 -2.026 -4.473 -11.890 1.00 0.00 N ATOM 959 CA SER A 62 -1.253 -3.376 -11.332 1.00 0.00 C ATOM 960 C SER A 62 -0.328 -3.905 -10.251 1.00 0.00 C ATOM 961 O SER A 62 0.896 -3.858 -10.378 1.00 0.00 O ATOM 962 CB SER A 62 -2.180 -2.303 -10.757 1.00 0.00 C ATOM 963 OG SER A 62 -2.962 -2.822 -9.695 1.00 0.00 O ATOM 0 H SER A 62 -1.861 -5.370 -11.434 1.00 0.00 H new ATOM 0 HA SER A 62 -0.658 -2.923 -12.125 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.588 -1.460 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.833 -1.923 -11.542 1.00 0.00 H new ATOM 0 HG SER A 62 -2.653 -2.444 -8.846 1.00 0.00 H new ATOM 969 N ASP A 63 -0.931 -4.424 -9.195 1.00 0.00 N ATOM 970 CA ASP A 63 -0.182 -4.988 -8.084 1.00 0.00 C ATOM 971 C ASP A 63 -1.071 -5.850 -7.185 1.00 0.00 C ATOM 972 O ASP A 63 -0.741 -6.093 -6.024 1.00 0.00 O ATOM 973 CB ASP A 63 0.472 -3.875 -7.270 1.00 0.00 C ATOM 974 CG ASP A 63 -0.543 -2.997 -6.563 1.00 0.00 C ATOM 975 OD1 ASP A 63 -1.317 -3.529 -5.740 1.00 0.00 O ATOM 976 OD2 ASP A 63 -0.564 -1.778 -6.834 1.00 0.00 O ATOM 0 H ASP A 63 -1.944 -4.467 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 63 0.594 -5.632 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.143 -4.315 -6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.084 -3.259 -7.929 1.00 0.00 H new ATOM 981 N GLY A 64 -2.196 -6.313 -7.726 1.00 0.00 N ATOM 982 CA GLY A 64 -3.102 -7.145 -6.953 1.00 0.00 C ATOM 983 C GLY A 64 -4.091 -6.343 -6.123 1.00 0.00 C ATOM 984 O GLY A 64 -5.099 -6.881 -5.666 1.00 0.00 O ATOM 0 H GLY A 64 -2.495 -6.127 -8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.652 -7.798 -7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.520 -7.788 -6.292 1.00 0.00 H new ATOM 988 N LYS A 65 -3.808 -5.058 -5.921 1.00 0.00 N ATOM 989 CA LYS A 65 -4.685 -4.199 -5.134 1.00 0.00 C ATOM 990 C LYS A 65 -4.783 -2.805 -5.755 1.00 0.00 C ATOM 991 O LYS A 65 -3.779 -2.241 -6.191 1.00 0.00 O ATOM 992 CB LYS A 65 -4.173 -4.103 -3.694 1.00 0.00 C ATOM 993 CG LYS A 65 -5.210 -4.476 -2.649 1.00 0.00 C ATOM 994 CD LYS A 65 -5.191 -5.963 -2.343 1.00 0.00 C ATOM 995 CE LYS A 65 -6.363 -6.680 -2.994 1.00 0.00 C ATOM 996 NZ LYS A 65 -5.974 -8.014 -3.527 1.00 0.00 N ATOM 0 H LYS A 65 -2.980 -4.591 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.682 -4.640 -5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.307 -4.755 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.832 -3.085 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.023 -3.914 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.201 -4.190 -3.002 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.256 -6.397 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.224 -6.114 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.164 -6.800 -2.265 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.758 -6.067 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.830 -8.564 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.412 -7.891 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.409 -8.520 -2.816 1.00 0.00 H new ATOM 1010 N ILE A 66 -5.997 -2.258 -5.796 1.00 0.00 N ATOM 1011 CA ILE A 66 -6.221 -0.938 -6.362 1.00 0.00 C ATOM 1012 C ILE A 66 -7.347 -0.197 -5.637 1.00 0.00 C ATOM 1013 O ILE A 66 -8.473 -0.689 -5.566 1.00 0.00 O ATOM 1014 CB ILE A 66 -6.545 -1.025 -7.867 1.00 0.00 C ATOM 1015 CG1 ILE A 66 -7.949 -1.597 -8.105 1.00 0.00 C ATOM 1016 CG2 ILE A 66 -5.502 -1.870 -8.582 1.00 0.00 C ATOM 1017 CD1 ILE A 66 -8.182 -2.938 -7.446 1.00 0.00 C ATOM 0 H ILE A 66 -6.839 -2.713 -5.442 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.296 -0.377 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.523 -0.014 -8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -8.688 -0.887 -7.734 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.113 -1.697 -9.178 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.743 -1.923 -9.644 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.518 -1.418 -8.455 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.497 -2.875 -8.160 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.196 -3.277 -7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.467 -3.664 -7.835 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.051 -2.841 -6.368 1.00 0.00 H new ATOM 1029 N SER A 67 -7.019 0.988 -5.104 1.00 0.00 N ATOM 1030 CA SER A 67 -7.968 1.847 -4.367 1.00 0.00 C ATOM 1031 C SER A 67 -7.295 2.406 -3.108 1.00 0.00 C ATOM 1032 O SER A 67 -6.132 2.833 -3.155 1.00 0.00 O ATOM 1033 CB SER A 67 -9.258 1.093 -4.006 1.00 0.00 C ATOM 1034 OG SER A 67 -10.110 1.887 -3.198 1.00 0.00 O ATOM 0 H SER A 67 -6.081 1.384 -5.170 1.00 0.00 H new ATOM 0 HA SER A 67 -8.251 2.674 -5.018 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.782 0.806 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.008 0.172 -3.479 1.00 0.00 H new ATOM 0 HG SER A 67 -11.040 1.759 -3.479 1.00 0.00 H new ATOM 1040 N LYS A 68 -7.995 2.397 -1.968 1.00 0.00 N ATOM 1041 CA LYS A 68 -7.395 2.892 -0.738 1.00 0.00 C ATOM 1042 C LYS A 68 -6.029 2.262 -0.576 1.00 0.00 C ATOM 1043 O LYS A 68 -5.102 2.860 -0.049 1.00 0.00 O ATOM 1044 CB LYS A 68 -8.272 2.595 0.476 1.00 0.00 C ATOM 1045 CG LYS A 68 -7.667 1.619 1.494 1.00 0.00 C ATOM 1046 CD LYS A 68 -6.580 2.248 2.367 1.00 0.00 C ATOM 1047 CE LYS A 68 -6.973 3.608 2.919 1.00 0.00 C ATOM 1048 NZ LYS A 68 -6.870 3.646 4.405 1.00 0.00 N ATOM 0 H LYS A 68 -8.953 2.060 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.299 3.976 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.493 3.534 0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.222 2.190 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.461 1.236 2.135 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.247 0.765 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.355 1.577 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.666 2.350 1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.330 4.376 2.489 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.994 3.843 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.523 4.363 4.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.118 2.714 4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.896 3.887 4.679 1.00 0.00 H new ATOM 1062 N GLU A 69 -5.910 1.048 -1.071 1.00 0.00 N ATOM 1063 CA GLU A 69 -4.639 0.346 -1.008 1.00 0.00 C ATOM 1064 C GLU A 69 -3.553 1.226 -1.605 1.00 0.00 C ATOM 1065 O GLU A 69 -2.512 1.449 -0.995 1.00 0.00 O ATOM 1066 CB GLU A 69 -4.707 -0.985 -1.747 1.00 0.00 C ATOM 1067 CG GLU A 69 -4.860 -0.822 -3.243 1.00 0.00 C ATOM 1068 CD GLU A 69 -3.527 -0.723 -3.960 1.00 0.00 C ATOM 1069 OE1 GLU A 69 -2.536 -1.286 -3.450 1.00 0.00 O ATOM 1070 OE2 GLU A 69 -3.473 -0.081 -5.029 1.00 0.00 O ATOM 0 H GLU A 69 -6.666 0.529 -1.517 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.407 0.132 0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.802 -1.556 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.546 -1.566 -1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.420 -1.668 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.446 0.074 -3.449 1.00 0.00 H new ATOM 1077 N GLU A 70 -3.831 1.779 -2.769 1.00 0.00 N ATOM 1078 CA GLU A 70 -2.893 2.685 -3.398 1.00 0.00 C ATOM 1079 C GLU A 70 -2.815 3.923 -2.528 1.00 0.00 C ATOM 1080 O GLU A 70 -1.770 4.550 -2.380 1.00 0.00 O ATOM 1081 CB GLU A 70 -3.323 3.020 -4.832 1.00 0.00 C ATOM 1082 CG GLU A 70 -4.491 3.994 -4.942 1.00 0.00 C ATOM 1083 CD GLU A 70 -4.279 5.032 -6.028 1.00 0.00 C ATOM 1084 OE1 GLU A 70 -3.828 4.654 -7.130 1.00 0.00 O ATOM 1085 OE2 GLU A 70 -4.566 6.220 -5.777 1.00 0.00 O ATOM 0 H GLU A 70 -4.691 1.619 -3.294 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.908 2.225 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.468 3.439 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.592 2.094 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.406 3.438 -5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.632 4.497 -3.985 1.00 0.00 H new ATOM 1092 N PHE A 71 -3.944 4.227 -1.906 1.00 0.00 N ATOM 1093 CA PHE A 71 -4.041 5.338 -0.993 1.00 0.00 C ATOM 1094 C PHE A 71 -3.038 5.171 0.124 1.00 0.00 C ATOM 1095 O PHE A 71 -2.128 5.963 0.271 1.00 0.00 O ATOM 1096 CB PHE A 71 -5.445 5.394 -0.399 1.00 0.00 C ATOM 1097 CG PHE A 71 -5.908 6.768 -0.009 1.00 0.00 C ATOM 1098 CD1 PHE A 71 -5.676 7.850 -0.837 1.00 0.00 C ATOM 1099 CD2 PHE A 71 -6.576 6.974 1.191 1.00 0.00 C ATOM 1100 CE1 PHE A 71 -6.099 9.116 -0.481 1.00 0.00 C ATOM 1101 CE2 PHE A 71 -7.002 8.238 1.551 1.00 0.00 C ATOM 1102 CZ PHE A 71 -6.763 9.311 0.714 1.00 0.00 C ATOM 0 H PHE A 71 -4.813 3.707 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.834 6.261 -1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.147 4.981 -1.123 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.478 4.751 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.158 7.704 -1.773 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.764 6.138 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.910 9.953 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -7.521 8.387 2.486 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.095 10.300 0.994 1.00 0.00 H new ATOM 1112 N LEU A 72 -3.222 4.126 0.911 1.00 0.00 N ATOM 1113 CA LEU A 72 -2.337 3.868 2.046 1.00 0.00 C ATOM 1114 C LEU A 72 -0.971 3.318 1.621 1.00 0.00 C ATOM 1115 O LEU A 72 0.029 3.555 2.299 1.00 0.00 O ATOM 1116 CB LEU A 72 -3.011 2.909 3.033 1.00 0.00 C ATOM 1117 CG LEU A 72 -2.762 1.431 2.754 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -1.737 0.865 3.727 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -4.057 0.639 2.816 1.00 0.00 C ATOM 0 H LEU A 72 -3.970 3.443 0.791 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.155 4.827 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.661 3.139 4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.086 3.092 3.020 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.361 1.342 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.574 -0.191 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.797 1.406 3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.105 0.973 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.851 -0.412 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.497 0.738 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.754 1.022 2.071 1.00 0.00 H new ATOM 1131 N ASN A 73 -0.928 2.574 0.522 1.00 0.00 N ATOM 1132 CA ASN A 73 0.326 1.991 0.060 1.00 0.00 C ATOM 1133 C ASN A 73 1.055 2.898 -0.931 1.00 0.00 C ATOM 1134 O ASN A 73 2.199 2.624 -1.297 1.00 0.00 O ATOM 1135 CB ASN A 73 0.078 0.616 -0.568 1.00 0.00 C ATOM 1136 CG ASN A 73 -0.544 -0.362 0.409 1.00 0.00 C ATOM 1137 OD1 ASN A 73 0.129 -1.252 0.929 1.00 0.00 O ATOM 1138 ND2 ASN A 73 -1.836 -0.198 0.663 1.00 0.00 N ATOM 0 H ASN A 73 -1.738 2.362 -0.061 1.00 0.00 H new ATOM 0 HA ASN A 73 0.968 1.878 0.934 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.576 0.727 -1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.022 0.211 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.311 -0.824 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.354 0.554 0.208 1.00 0.00 H new ATOM 1145 N ALA A 74 0.406 3.975 -1.366 1.00 0.00 N ATOM 1146 CA ALA A 74 1.029 4.895 -2.313 1.00 0.00 C ATOM 1147 C ALA A 74 0.949 6.345 -1.841 1.00 0.00 C ATOM 1148 O ALA A 74 1.685 7.193 -2.330 1.00 0.00 O ATOM 1149 CB ALA A 74 0.407 4.750 -3.694 1.00 0.00 C ATOM 0 H ALA A 74 -0.540 4.230 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 74 2.084 4.629 -2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.886 5.445 -4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.547 3.730 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.659 4.971 -3.638 1.00 0.00 H new ATOM 1155 N ASN A 75 0.067 6.638 -0.889 1.00 0.00 N ATOM 1156 CA ASN A 75 -0.060 8.004 -0.382 1.00 0.00 C ATOM 1157 C ASN A 75 1.277 8.500 0.153 1.00 0.00 C ATOM 1158 O ASN A 75 1.742 9.581 -0.201 1.00 0.00 O ATOM 1159 CB ASN A 75 -1.127 8.088 0.718 1.00 0.00 C ATOM 1160 CG ASN A 75 -0.694 7.444 2.030 1.00 0.00 C ATOM 1161 OD1 ASN A 75 -0.474 8.132 3.026 1.00 0.00 O ATOM 1162 ND2 ASN A 75 -0.572 6.118 2.034 1.00 0.00 N ATOM 0 H ASN A 75 -0.562 5.961 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.370 8.640 -1.211 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.371 9.135 0.899 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.039 7.604 0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.286 5.635 2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.764 5.586 1.186 1.00 0.00 H new ATOM 1169 N ALA A 76 1.879 7.682 1.000 1.00 0.00 N ATOM 1170 CA ALA A 76 3.167 7.984 1.609 1.00 0.00 C ATOM 1171 C ALA A 76 4.298 7.747 0.622 1.00 0.00 C ATOM 1172 O ALA A 76 5.284 8.485 0.579 1.00 0.00 O ATOM 1173 CB ALA A 76 3.367 7.129 2.850 1.00 0.00 C ATOM 0 H ALA A 76 1.487 6.785 1.287 1.00 0.00 H new ATOM 0 HA ALA A 76 3.177 9.036 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.332 7.361 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.573 7.337 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.339 6.075 2.574 1.00 0.00 H new ATOM 1179 N GLU A 77 4.131 6.704 -0.169 1.00 0.00 N ATOM 1180 CA GLU A 77 5.115 6.320 -1.171 1.00 0.00 C ATOM 1181 C GLU A 77 5.132 7.308 -2.322 1.00 0.00 C ATOM 1182 O GLU A 77 6.187 7.599 -2.889 1.00 0.00 O ATOM 1183 CB GLU A 77 4.818 4.912 -1.694 1.00 0.00 C ATOM 1184 CG GLU A 77 6.012 4.249 -2.364 1.00 0.00 C ATOM 1185 CD GLU A 77 5.863 4.165 -3.871 1.00 0.00 C ATOM 1186 OE1 GLU A 77 5.081 3.313 -4.343 1.00 0.00 O ATOM 1187 OE2 GLU A 77 6.528 4.951 -4.577 1.00 0.00 O ATOM 0 H GLU A 77 3.311 6.098 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 77 6.098 6.325 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.484 4.288 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.994 4.964 -2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.916 4.808 -2.123 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.140 3.245 -1.959 1.00 0.00 H new ATOM 1194 N LEU A 78 3.963 7.831 -2.659 1.00 0.00 N ATOM 1195 CA LEU A 78 3.856 8.798 -3.742 1.00 0.00 C ATOM 1196 C LEU A 78 4.224 10.182 -3.236 1.00 0.00 C ATOM 1197 O LEU A 78 4.706 11.026 -3.991 1.00 0.00 O ATOM 1198 CB LEU A 78 2.446 8.805 -4.343 1.00 0.00 C ATOM 1199 CG LEU A 78 1.393 9.581 -3.546 1.00 0.00 C ATOM 1200 CD1 LEU A 78 1.432 11.057 -3.908 1.00 0.00 C ATOM 1201 CD2 LEU A 78 0.007 9.005 -3.795 1.00 0.00 C ATOM 0 H LEU A 78 3.080 7.604 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 78 4.551 8.509 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.500 9.226 -5.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.110 7.774 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 78 1.621 9.482 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.677 11.593 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.418 11.462 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.229 11.176 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.729 9.568 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.230 9.074 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.014 7.960 -3.486 1.00 0.00 H new ATOM 1213 N LEU A 79 3.998 10.402 -1.948 1.00 0.00 N ATOM 1214 CA LEU A 79 4.312 11.675 -1.338 1.00 0.00 C ATOM 1215 C LEU A 79 5.748 11.688 -0.831 1.00 0.00 C ATOM 1216 O LEU A 79 6.397 12.734 -0.805 1.00 0.00 O ATOM 1217 CB LEU A 79 3.327 11.976 -0.207 1.00 0.00 C ATOM 1218 CG LEU A 79 3.495 11.142 1.059 1.00 0.00 C ATOM 1219 CD1 LEU A 79 4.743 11.540 1.827 1.00 0.00 C ATOM 1220 CD2 LEU A 79 2.261 11.272 1.942 1.00 0.00 C ATOM 0 H LEU A 79 3.599 9.713 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 79 4.217 12.457 -2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.419 13.029 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.315 11.830 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 79 3.610 10.100 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.831 10.925 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.620 11.391 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.675 12.590 2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.393 10.672 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.120 12.317 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.385 10.920 1.397 1.00 0.00 H new ATOM 1232 N CYS A 80 6.232 10.513 -0.424 1.00 0.00 N ATOM 1233 CA CYS A 80 7.596 10.359 0.090 1.00 0.00 C ATOM 1234 C CYS A 80 8.001 11.527 0.988 1.00 0.00 C ATOM 1235 O CYS A 80 8.436 12.573 0.508 1.00 0.00 O ATOM 1236 CB CYS A 80 8.593 10.211 -1.064 1.00 0.00 C ATOM 1237 SG CYS A 80 8.596 11.591 -2.233 1.00 0.00 S ATOM 0 H CYS A 80 5.694 9.646 -0.441 1.00 0.00 H new ATOM 0 HA CYS A 80 7.613 9.453 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.595 10.100 -0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 80 8.368 9.292 -1.606 1.00 0.00 H new ATOM 0 HG CYS A 80 7.836 12.544 -1.781 1.00 0.00 H new ATOM 1243 N GLN A 81 7.855 11.336 2.297 1.00 0.00 N ATOM 1244 CA GLN A 81 8.205 12.370 3.268 1.00 0.00 C ATOM 1245 C GLN A 81 9.601 12.929 3.006 1.00 0.00 C ATOM 1246 O GLN A 81 9.894 14.077 3.342 1.00 0.00 O ATOM 1247 CB GLN A 81 8.129 11.807 4.688 1.00 0.00 C ATOM 1248 CG GLN A 81 7.960 12.873 5.758 1.00 0.00 C ATOM 1249 CD GLN A 81 8.766 12.579 7.009 1.00 0.00 C ATOM 1250 OE1 GLN A 81 9.991 12.486 6.963 1.00 0.00 O ATOM 1251 NE2 GLN A 81 8.076 12.429 8.134 1.00 0.00 N ATOM 0 H GLN A 81 7.497 10.475 2.710 1.00 0.00 H new ATOM 0 HA GLN A 81 7.488 13.184 3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.295 11.108 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.036 11.239 4.893 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.263 13.839 5.354 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.905 12.954 6.021 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.060 12.515 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.562 12.228 9.008 1.00 0.00 H new ATOM 1260 N LEU A 82 10.460 12.111 2.402 1.00 0.00 N ATOM 1261 CA LEU A 82 11.825 12.528 2.095 1.00 0.00 C ATOM 1262 C LEU A 82 11.831 13.795 1.246 1.00 0.00 C ATOM 1263 O LEU A 82 12.755 14.605 1.329 1.00 0.00 O ATOM 1264 CB LEU A 82 12.568 11.406 1.365 1.00 0.00 C ATOM 1265 CG LEU A 82 14.091 11.562 1.312 1.00 0.00 C ATOM 1266 CD1 LEU A 82 14.480 12.698 0.378 1.00 0.00 C ATOM 1267 CD2 LEU A 82 14.652 11.799 2.706 1.00 0.00 C ATOM 0 H LEU A 82 10.235 11.158 2.116 1.00 0.00 H new ATOM 0 HA LEU A 82 12.334 12.742 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.332 10.459 1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.189 11.344 0.345 1.00 0.00 H new ATOM 0 HG LEU A 82 14.518 10.638 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 82 15.566 12.793 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 82 14.112 12.486 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.042 13.630 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.735 11.907 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.218 12.708 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.406 10.952 3.346 1.00 0.00 H new ATOM 1279 N LYS A 83 10.796 13.962 0.429 1.00 0.00 N ATOM 1280 CA LYS A 83 10.682 15.131 -0.434 1.00 0.00 C ATOM 1281 C LYS A 83 11.845 15.194 -1.419 1.00 0.00 C ATOM 1282 O LYS A 83 12.917 15.707 -1.036 1.00 0.00 O ATOM 1283 CB LYS A 83 10.639 16.410 0.404 1.00 0.00 C ATOM 1284 CG LYS A 83 9.235 16.813 0.827 1.00 0.00 C ATOM 1285 CD LYS A 83 8.951 16.417 2.267 1.00 0.00 C ATOM 1286 CE LYS A 83 8.146 17.486 2.989 1.00 0.00 C ATOM 1287 NZ LYS A 83 8.578 17.646 4.406 1.00 0.00 N ATOM 1288 OXT LYS A 83 11.674 14.730 -2.567 1.00 0.00 O ATOM 0 H LYS A 83 10.023 13.301 0.347 1.00 0.00 H new ATOM 0 HA LYS A 83 9.754 15.045 -0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.252 16.272 1.294 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.085 17.224 -0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.115 17.891 0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.506 16.341 0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.405 15.474 2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.892 16.251 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.255 18.437 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.088 17.225 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 8.005 18.384 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.450 16.746 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.581 17.920 4.434 1.00 0.00 H new TER 1302 LYS A 83