USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.818 (180deg=-1.19) USER MOD Single : A 2 LYS NZ :NH3+ -134:sc= -0.0413 (180deg=-0.472) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= -0.215 (180deg=-0.992) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0727 USER MOD Single : A 8 TYR OH : rot 30:sc=-0.00889 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0185 K(o=-0.019,f=-1.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 30 SER OG : rot 39:sc= 1.42 USER MOD Single : A 35 LYS NZ :NH3+ -157:sc= 0.161 (180deg=-0.283) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= -2.45 (180deg=-3.52!) USER MOD Single : A 45 SER OG : rot -155:sc= -1 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-1) USER MOD Single : A 52 THR OG1 : rot 2:sc= -0.85 USER MOD Single : A 54 THR OG1 : rot 120:sc= -1.44 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0072) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.632 0.334 -0.613 1.00 0.00 N ATOM 2 CA MET A 1 13.679 -0.748 -0.981 1.00 0.00 C ATOM 3 C MET A 1 12.253 -0.199 -0.886 1.00 0.00 C ATOM 4 O MET A 1 11.299 -0.927 -0.704 1.00 0.00 O ATOM 5 CB MET A 1 13.849 -1.929 -0.019 1.00 0.00 C ATOM 6 CG MET A 1 13.970 -1.414 1.418 1.00 0.00 C ATOM 7 SD MET A 1 14.065 -2.820 2.556 1.00 0.00 S ATOM 8 CE MET A 1 14.102 -1.872 4.097 1.00 0.00 C ATOM 0 H1 MET A 1 15.590 -0.062 -0.525 1.00 0.00 H new ATOM 0 H2 MET A 1 14.627 1.067 -1.351 1.00 0.00 H new ATOM 0 H3 MET A 1 14.346 0.754 0.294 1.00 0.00 H new ATOM 0 HA MET A 1 13.874 -1.090 -1.997 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.997 -2.604 -0.103 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.737 -2.502 -0.286 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.858 -0.790 1.519 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.112 -0.789 1.665 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.161 -2.556 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.972 -1.215 4.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.195 -1.273 4.177 1.00 0.00 H new ATOM 20 N LYS A 2 12.114 1.094 -1.000 1.00 0.00 N ATOM 21 CA LYS A 2 10.762 1.726 -0.906 1.00 0.00 C ATOM 22 C LYS A 2 10.122 1.829 -2.289 1.00 0.00 C ATOM 23 O LYS A 2 10.636 1.327 -3.269 1.00 0.00 O ATOM 24 CB LYS A 2 10.899 3.131 -0.314 1.00 0.00 C ATOM 25 CG LYS A 2 11.487 3.051 1.115 1.00 0.00 C ATOM 26 CD LYS A 2 13.009 3.234 1.068 1.00 0.00 C ATOM 27 CE LYS A 2 13.583 3.101 2.476 1.00 0.00 C ATOM 28 NZ LYS A 2 13.047 4.194 3.334 1.00 0.00 N ATOM 0 H LYS A 2 12.883 1.746 -1.155 1.00 0.00 H new ATOM 0 HA LYS A 2 10.131 1.108 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 2 11.544 3.740 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.925 3.620 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 2 11.039 3.820 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.242 2.089 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.455 2.488 0.410 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.256 4.212 0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.320 2.131 2.898 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.671 3.150 2.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.824 4.620 3.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.605 4.920 2.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.338 3.806 3.988 1.00 0.00 H new ATOM 42 N GLY A 3 8.993 2.474 -2.361 1.00 0.00 N ATOM 43 CA GLY A 3 8.291 2.615 -3.667 1.00 0.00 C ATOM 44 C GLY A 3 7.196 3.680 -3.557 1.00 0.00 C ATOM 45 O GLY A 3 7.177 4.478 -2.637 1.00 0.00 O ATOM 0 H GLY A 3 8.523 2.912 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.003 2.892 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.854 1.660 -3.960 1.00 0.00 H new ATOM 49 N LYS A 4 6.288 3.697 -4.496 1.00 0.00 N ATOM 50 CA LYS A 4 5.186 4.706 -4.471 1.00 0.00 C ATOM 51 C LYS A 4 3.880 4.069 -4.940 1.00 0.00 C ATOM 52 O LYS A 4 3.860 3.226 -5.814 1.00 0.00 O ATOM 53 CB LYS A 4 5.541 5.874 -5.390 1.00 0.00 C ATOM 54 CG LYS A 4 4.383 6.872 -5.414 1.00 0.00 C ATOM 55 CD LYS A 4 4.849 8.182 -6.054 1.00 0.00 C ATOM 56 CE LYS A 4 5.267 7.938 -7.505 1.00 0.00 C ATOM 57 NZ LYS A 4 4.265 7.060 -8.173 1.00 0.00 N ATOM 0 H LYS A 4 6.261 3.051 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 4 5.060 5.068 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.450 6.363 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.743 5.510 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.545 6.459 -5.975 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.027 7.057 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.047 8.919 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.686 8.594 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.345 8.887 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.252 7.472 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.323 7.189 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.462 6.067 -7.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.310 7.311 -7.846 1.00 0.00 H new ATOM 71 N VAL A 5 2.787 4.475 -4.352 1.00 0.00 N ATOM 72 CA VAL A 5 1.469 3.903 -4.742 1.00 0.00 C ATOM 73 C VAL A 5 1.003 4.528 -6.060 1.00 0.00 C ATOM 74 O VAL A 5 0.923 5.733 -6.194 1.00 0.00 O ATOM 75 CB VAL A 5 0.447 4.188 -3.629 1.00 0.00 C ATOM 76 CG1 VAL A 5 -0.026 5.643 -3.699 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.758 3.256 -3.791 1.00 0.00 C ATOM 0 H VAL A 5 2.752 5.180 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 5 1.561 2.826 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 5 0.922 4.016 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.749 5.829 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.828 6.309 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.494 5.827 -4.666 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.483 3.458 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.222 3.427 -4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.428 2.219 -3.724 1.00 0.00 H new ATOM 87 N VAL A 6 0.690 3.713 -7.027 1.00 0.00 N ATOM 88 CA VAL A 6 0.220 4.238 -8.342 1.00 0.00 C ATOM 89 C VAL A 6 -1.303 4.117 -8.428 1.00 0.00 C ATOM 90 O VAL A 6 -1.968 4.956 -9.002 1.00 0.00 O ATOM 91 CB VAL A 6 0.873 3.432 -9.471 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.402 1.975 -9.422 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.485 4.047 -10.814 1.00 0.00 C ATOM 0 H VAL A 6 0.740 2.696 -6.964 1.00 0.00 H new ATOM 0 HA VAL A 6 0.499 5.287 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 6 1.956 3.457 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.873 1.413 -10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.679 1.535 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.681 1.939 -9.539 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.946 3.478 -11.621 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.599 4.022 -10.926 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.830 5.080 -10.854 1.00 0.00 H new ATOM 103 N SER A 7 -1.867 3.080 -7.865 1.00 0.00 N ATOM 104 CA SER A 7 -3.353 2.922 -7.926 1.00 0.00 C ATOM 105 C SER A 7 -3.862 2.147 -6.708 1.00 0.00 C ATOM 106 O SER A 7 -3.306 1.139 -6.316 1.00 0.00 O ATOM 107 CB SER A 7 -3.738 2.180 -9.206 1.00 0.00 C ATOM 108 OG SER A 7 -3.331 2.950 -10.330 1.00 0.00 O ATOM 0 H SER A 7 -1.369 2.341 -7.369 1.00 0.00 H new ATOM 0 HA SER A 7 -3.810 3.912 -7.925 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.263 1.199 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.815 2.013 -9.235 1.00 0.00 H new ATOM 0 HG SER A 7 -3.574 2.479 -11.154 1.00 0.00 H new ATOM 114 N TYR A 8 -4.924 2.618 -6.119 1.00 0.00 N ATOM 115 CA TYR A 8 -5.507 1.932 -4.930 1.00 0.00 C ATOM 116 C TYR A 8 -6.984 2.317 -4.803 1.00 0.00 C ATOM 117 O TYR A 8 -7.323 3.460 -4.568 1.00 0.00 O ATOM 118 CB TYR A 8 -4.745 2.347 -3.665 1.00 0.00 C ATOM 119 CG TYR A 8 -5.478 1.845 -2.440 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.550 0.471 -2.182 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.088 2.753 -1.564 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.230 0.005 -1.050 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.768 2.286 -0.432 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.839 0.913 -0.175 1.00 0.00 C ATOM 125 OH TYR A 8 -7.507 0.453 0.941 1.00 0.00 O ATOM 0 H TYR A 8 -5.420 3.459 -6.413 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.423 0.852 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.734 1.940 -3.688 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.651 3.432 -3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.081 -0.230 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.034 3.813 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.285 -1.055 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.238 2.986 0.243 1.00 0.00 H new ATOM 0 HH TYR A 8 -7.097 -0.383 1.246 1.00 0.00 H new ATOM 135 N LEU A 9 -7.856 1.358 -4.959 1.00 0.00 N ATOM 136 CA LEU A 9 -9.325 1.623 -4.858 1.00 0.00 C ATOM 137 C LEU A 9 -9.912 0.788 -3.718 1.00 0.00 C ATOM 138 O LEU A 9 -9.776 -0.418 -3.675 1.00 0.00 O ATOM 139 CB LEU A 9 -9.999 1.250 -6.181 1.00 0.00 C ATOM 140 CG LEU A 9 -9.356 2.047 -7.326 1.00 0.00 C ATOM 141 CD1 LEU A 9 -10.014 1.657 -8.655 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.539 3.556 -7.082 1.00 0.00 C ATOM 0 H LEU A 9 -7.612 0.387 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.498 2.680 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.896 0.181 -6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.067 1.463 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.291 1.819 -7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.557 2.223 -9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.873 0.591 -8.832 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.080 1.880 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.081 4.115 -7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.602 3.791 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.064 3.833 -6.141 1.00 0.00 H new ATOM 154 N ALA A 10 -10.567 1.441 -2.801 1.00 0.00 N ATOM 155 CA ALA A 10 -11.183 0.728 -1.645 1.00 0.00 C ATOM 156 C ALA A 10 -12.263 -0.233 -2.153 1.00 0.00 C ATOM 157 O ALA A 10 -12.602 -1.206 -1.507 1.00 0.00 O ATOM 158 CB ALA A 10 -11.824 1.758 -0.711 1.00 0.00 C ATOM 0 H ALA A 10 -10.704 2.452 -2.802 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.418 0.164 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.278 1.247 0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.061 2.449 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.591 2.313 -1.252 1.00 0.00 H new ATOM 164 N ALA A 11 -12.806 0.042 -3.307 1.00 0.00 N ATOM 165 CA ALA A 11 -13.872 -0.839 -3.871 1.00 0.00 C ATOM 166 C ALA A 11 -13.319 -2.250 -4.092 1.00 0.00 C ATOM 167 O ALA A 11 -13.985 -3.237 -3.853 1.00 0.00 O ATOM 168 CB ALA A 11 -14.333 -0.270 -5.213 1.00 0.00 C ATOM 0 H ALA A 11 -12.557 0.843 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.709 -0.883 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.111 -0.908 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.728 0.735 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.488 -0.230 -5.901 1.00 0.00 H new ATOM 174 N LYS A 12 -12.100 -2.350 -4.545 1.00 0.00 N ATOM 175 CA LYS A 12 -11.490 -3.692 -4.785 1.00 0.00 C ATOM 176 C LYS A 12 -10.638 -4.079 -3.577 1.00 0.00 C ATOM 177 O LYS A 12 -10.094 -5.161 -3.516 1.00 0.00 O ATOM 178 CB LYS A 12 -10.612 -3.637 -6.037 1.00 0.00 C ATOM 179 CG LYS A 12 -11.499 -3.412 -7.266 1.00 0.00 C ATOM 180 CD LYS A 12 -10.667 -3.560 -8.545 1.00 0.00 C ATOM 181 CE LYS A 12 -9.665 -2.407 -8.657 1.00 0.00 C ATOM 182 NZ LYS A 12 -9.156 -2.324 -10.054 1.00 0.00 N ATOM 0 H LYS A 12 -11.496 -1.557 -4.761 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.276 -4.433 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.882 -2.832 -5.949 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -10.051 -4.566 -6.144 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.319 -4.130 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.946 -2.419 -7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.137 -4.513 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.323 -3.568 -9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.142 -1.468 -8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.837 -2.563 -7.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.476 -1.541 -10.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.686 -3.217 -10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.951 -2.156 -10.704 1.00 0.00 H new ATOM 196 N LYS A 13 -10.525 -3.189 -2.619 1.00 0.00 N ATOM 197 CA LYS A 13 -9.713 -3.472 -1.392 1.00 0.00 C ATOM 198 C LYS A 13 -8.242 -3.609 -1.775 1.00 0.00 C ATOM 199 O LYS A 13 -7.368 -3.671 -0.931 1.00 0.00 O ATOM 200 CB LYS A 13 -10.205 -4.767 -0.725 1.00 0.00 C ATOM 201 CG LYS A 13 -11.730 -4.722 -0.549 1.00 0.00 C ATOM 202 CD LYS A 13 -12.105 -3.711 0.539 1.00 0.00 C ATOM 203 CE LYS A 13 -13.608 -3.770 0.791 1.00 0.00 C ATOM 204 NZ LYS A 13 -13.961 -2.827 1.889 1.00 0.00 N ATOM 0 H LYS A 13 -10.965 -2.269 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.826 -2.648 -0.687 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.926 -5.627 -1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.723 -4.892 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.205 -4.447 -1.491 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.102 -5.711 -0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.562 -3.932 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.816 -2.706 0.232 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -14.151 -3.508 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.904 -4.784 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.986 -2.865 2.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.452 -3.097 2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.692 -1.860 1.616 1.00 0.00 H new ATOM 218 N TYR A 14 -7.963 -3.636 -3.046 1.00 0.00 N ATOM 219 CA TYR A 14 -6.551 -3.747 -3.506 1.00 0.00 C ATOM 220 C TYR A 14 -6.408 -3.061 -4.862 1.00 0.00 C ATOM 221 O TYR A 14 -7.378 -2.830 -5.558 1.00 0.00 O ATOM 222 CB TYR A 14 -6.154 -5.218 -3.637 1.00 0.00 C ATOM 223 CG TYR A 14 -7.030 -5.898 -4.668 1.00 0.00 C ATOM 224 CD1 TYR A 14 -6.754 -5.746 -6.034 1.00 0.00 C ATOM 225 CD2 TYR A 14 -8.112 -6.688 -4.258 1.00 0.00 C ATOM 226 CE1 TYR A 14 -7.560 -6.380 -6.987 1.00 0.00 C ATOM 227 CE2 TYR A 14 -8.917 -7.322 -5.213 1.00 0.00 C ATOM 228 CZ TYR A 14 -8.640 -7.169 -6.576 1.00 0.00 C ATOM 229 OH TYR A 14 -9.434 -7.795 -7.517 1.00 0.00 O ATOM 0 H TYR A 14 -8.657 -3.586 -3.792 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.899 -3.267 -2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -5.107 -5.297 -3.928 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.255 -5.718 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -5.919 -5.139 -6.351 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.325 -6.808 -3.206 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.348 -6.260 -8.039 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.752 -7.929 -4.897 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.138 -8.304 -7.064 1.00 0.00 H new ATOM 239 N GLY A 15 -5.207 -2.735 -5.237 1.00 0.00 N ATOM 240 CA GLY A 15 -4.984 -2.055 -6.548 1.00 0.00 C ATOM 241 C GLY A 15 -3.611 -2.438 -7.107 1.00 0.00 C ATOM 242 O GLY A 15 -3.329 -3.592 -7.365 1.00 0.00 O ATOM 0 H GLY A 15 -4.363 -2.909 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.765 -2.340 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.046 -0.974 -6.422 1.00 0.00 H new ATOM 246 N PHE A 16 -2.763 -1.468 -7.298 1.00 0.00 N ATOM 247 CA PHE A 16 -1.401 -1.745 -7.847 1.00 0.00 C ATOM 248 C PHE A 16 -0.391 -0.774 -7.241 1.00 0.00 C ATOM 249 O PHE A 16 -0.725 0.323 -6.841 1.00 0.00 O ATOM 250 CB PHE A 16 -1.423 -1.574 -9.364 1.00 0.00 C ATOM 251 CG PHE A 16 -2.236 -2.686 -9.978 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.634 -3.919 -10.247 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.590 -2.487 -10.273 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.384 -4.955 -10.816 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.340 -3.522 -10.841 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.737 -4.757 -11.111 1.00 0.00 C ATOM 0 H PHE A 16 -2.954 -0.486 -7.097 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.112 -2.766 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.852 -0.607 -9.626 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.407 -1.590 -9.758 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.590 -4.072 -10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.055 -1.535 -10.062 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.918 -5.906 -11.027 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.384 -3.369 -11.071 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.317 -5.557 -11.547 1.00 0.00 H new ATOM 266 N ILE A 17 0.845 -1.184 -7.171 1.00 0.00 N ATOM 267 CA ILE A 17 1.912 -0.314 -6.588 1.00 0.00 C ATOM 268 C ILE A 17 3.149 -0.345 -7.483 1.00 0.00 C ATOM 269 O ILE A 17 3.474 -1.350 -8.083 1.00 0.00 O ATOM 270 CB ILE A 17 2.279 -0.826 -5.194 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.079 -0.642 -4.261 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.474 -0.034 -4.658 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.335 -1.366 -2.939 1.00 0.00 C ATOM 0 H ILE A 17 1.168 -2.095 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 17 1.545 0.710 -6.517 1.00 0.00 H new ATOM 0 HB ILE A 17 2.543 -1.882 -5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.908 0.419 -4.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.177 -1.033 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.736 -0.398 -3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.325 -0.162 -5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.213 1.023 -4.600 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.478 -1.232 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.484 -2.429 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.226 -0.954 -2.465 1.00 0.00 H new ATOM 285 N GLN A 18 3.840 0.761 -7.565 1.00 0.00 N ATOM 286 CA GLN A 18 5.069 0.841 -8.412 1.00 0.00 C ATOM 287 C GLN A 18 6.305 0.895 -7.510 1.00 0.00 C ATOM 288 O GLN A 18 6.571 1.878 -6.848 1.00 0.00 O ATOM 289 CB GLN A 18 5.003 2.099 -9.277 1.00 0.00 C ATOM 290 CG GLN A 18 6.243 2.161 -10.167 1.00 0.00 C ATOM 291 CD GLN A 18 6.098 3.293 -11.184 1.00 0.00 C ATOM 292 OE1 GLN A 18 5.010 3.777 -11.425 1.00 0.00 O ATOM 293 NE2 GLN A 18 7.160 3.737 -11.798 1.00 0.00 N ATOM 0 H GLN A 18 3.603 1.624 -7.075 1.00 0.00 H new ATOM 0 HA GLN A 18 5.132 -0.037 -9.055 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.101 2.087 -9.889 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.948 2.986 -8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.132 2.321 -9.557 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.378 1.211 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.073 3.331 -11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.077 4.491 -12.480 1.00 0.00 H new ATOM 302 N GLY A 19 7.051 -0.171 -7.489 1.00 0.00 N ATOM 303 CA GLY A 19 8.274 -0.236 -6.639 1.00 0.00 C ATOM 304 C GLY A 19 9.372 0.665 -7.207 1.00 0.00 C ATOM 305 O GLY A 19 9.381 1.006 -8.373 1.00 0.00 O ATOM 0 H GLY A 19 6.864 -1.014 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.033 0.072 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.632 -1.264 -6.585 1.00 0.00 H new ATOM 309 N ASP A 20 10.301 1.042 -6.373 1.00 0.00 N ATOM 310 CA ASP A 20 11.419 1.917 -6.823 1.00 0.00 C ATOM 311 C ASP A 20 12.296 1.166 -7.828 1.00 0.00 C ATOM 312 O ASP A 20 12.837 1.740 -8.754 1.00 0.00 O ATOM 313 CB ASP A 20 12.266 2.324 -5.609 1.00 0.00 C ATOM 314 CG ASP A 20 12.791 1.079 -4.880 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.408 -0.016 -5.256 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.568 1.247 -3.955 1.00 0.00 O ATOM 0 H ASP A 20 10.333 0.778 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 20 11.010 2.807 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.103 2.943 -5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.668 2.928 -4.926 1.00 0.00 H new ATOM 321 N ASP A 21 12.443 -0.117 -7.650 1.00 0.00 N ATOM 322 CA ASP A 21 13.288 -0.920 -8.583 1.00 0.00 C ATOM 323 C ASP A 21 12.427 -1.428 -9.747 1.00 0.00 C ATOM 324 O ASP A 21 12.847 -2.252 -10.535 1.00 0.00 O ATOM 325 CB ASP A 21 13.893 -2.101 -7.819 1.00 0.00 C ATOM 326 CG ASP A 21 14.889 -2.837 -8.715 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.267 -2.275 -9.729 1.00 0.00 O ATOM 328 OD2 ASP A 21 15.253 -3.950 -8.374 1.00 0.00 O ATOM 0 H ASP A 21 12.012 -0.649 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 21 14.091 -0.301 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.393 -1.746 -6.918 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.104 -2.782 -7.499 1.00 0.00 H new ATOM 333 N GLY A 22 11.225 -0.929 -9.856 1.00 0.00 N ATOM 334 CA GLY A 22 10.322 -1.361 -10.965 1.00 0.00 C ATOM 335 C GLY A 22 9.590 -2.650 -10.585 1.00 0.00 C ATOM 336 O GLY A 22 9.019 -3.323 -11.420 1.00 0.00 O ATOM 0 H GLY A 22 10.827 -0.237 -9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.599 -0.575 -11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.902 -1.519 -11.874 1.00 0.00 H new ATOM 340 N GLU A 23 9.602 -3.001 -9.327 1.00 0.00 N ATOM 341 CA GLU A 23 8.908 -4.254 -8.886 1.00 0.00 C ATOM 342 C GLU A 23 7.518 -3.913 -8.342 1.00 0.00 C ATOM 343 O GLU A 23 7.368 -3.145 -7.412 1.00 0.00 O ATOM 344 CB GLU A 23 9.736 -4.937 -7.796 1.00 0.00 C ATOM 345 CG GLU A 23 11.079 -5.391 -8.379 1.00 0.00 C ATOM 346 CD GLU A 23 10.849 -6.450 -9.461 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.783 -7.042 -9.465 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.739 -6.645 -10.271 1.00 0.00 O ATOM 0 H GLU A 23 10.062 -2.476 -8.583 1.00 0.00 H new ATOM 0 HA GLU A 23 8.802 -4.927 -9.737 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.902 -4.249 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.193 -5.794 -7.396 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.609 -4.537 -8.801 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.709 -5.798 -7.588 1.00 0.00 H new ATOM 355 N SER A 24 6.505 -4.480 -8.931 1.00 0.00 N ATOM 356 CA SER A 24 5.110 -4.200 -8.485 1.00 0.00 C ATOM 357 C SER A 24 4.780 -4.986 -7.214 1.00 0.00 C ATOM 358 O SER A 24 5.337 -6.034 -6.947 1.00 0.00 O ATOM 359 CB SER A 24 4.137 -4.604 -9.593 1.00 0.00 C ATOM 360 OG SER A 24 4.173 -6.018 -9.761 1.00 0.00 O ATOM 0 H SER A 24 6.583 -5.133 -9.711 1.00 0.00 H new ATOM 0 HA SER A 24 5.018 -3.135 -8.272 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.127 -4.282 -9.340 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.405 -4.109 -10.526 1.00 0.00 H new ATOM 0 HG SER A 24 3.549 -6.279 -10.470 1.00 0.00 H new ATOM 366 N TYR A 25 3.866 -4.476 -6.435 1.00 0.00 N ATOM 367 CA TYR A 25 3.465 -5.165 -5.172 1.00 0.00 C ATOM 368 C TYR A 25 1.954 -5.023 -4.965 1.00 0.00 C ATOM 369 O TYR A 25 1.379 -3.969 -5.156 1.00 0.00 O ATOM 370 CB TYR A 25 4.208 -4.540 -3.994 1.00 0.00 C ATOM 371 CG TYR A 25 5.685 -4.803 -4.150 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.220 -6.029 -3.738 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.518 -3.829 -4.714 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.589 -6.280 -3.884 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.887 -4.081 -4.860 1.00 0.00 C ATOM 376 CZ TYR A 25 8.423 -5.307 -4.446 1.00 0.00 C ATOM 377 OH TYR A 25 9.771 -5.556 -4.592 1.00 0.00 O ATOM 0 H TYR A 25 3.374 -3.602 -6.620 1.00 0.00 H new ATOM 0 HA TYR A 25 3.719 -6.223 -5.239 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.019 -3.467 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.848 -4.961 -3.055 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.576 -6.782 -3.307 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.105 -2.885 -5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.002 -7.225 -3.563 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.531 -3.329 -5.292 1.00 0.00 H new ATOM 0 HH TYR A 25 9.914 -6.517 -4.723 1.00 0.00 H new ATOM 387 N PHE A 26 1.318 -6.090 -4.577 1.00 0.00 N ATOM 388 CA PHE A 26 -0.157 -6.061 -4.353 1.00 0.00 C ATOM 389 C PHE A 26 -0.474 -5.375 -3.030 1.00 0.00 C ATOM 390 O PHE A 26 0.244 -5.502 -2.059 1.00 0.00 O ATOM 391 CB PHE A 26 -0.691 -7.496 -4.323 1.00 0.00 C ATOM 392 CG PHE A 26 -0.762 -8.034 -5.733 1.00 0.00 C ATOM 393 CD1 PHE A 26 -1.647 -7.456 -6.653 1.00 0.00 C ATOM 394 CD2 PHE A 26 0.053 -9.104 -6.124 1.00 0.00 C ATOM 395 CE1 PHE A 26 -1.717 -7.948 -7.960 1.00 0.00 C ATOM 396 CE2 PHE A 26 -0.019 -9.595 -7.433 1.00 0.00 C ATOM 397 CZ PHE A 26 -0.904 -9.018 -8.350 1.00 0.00 C ATOM 0 H PHE A 26 1.760 -6.993 -4.403 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.631 -5.506 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.041 -8.125 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.679 -7.519 -3.863 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.275 -6.630 -6.353 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.736 -9.550 -5.416 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.399 -7.502 -8.669 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.609 -10.420 -7.735 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.960 -9.399 -9.359 1.00 0.00 H new ATOM 407 N LEU A 27 -1.557 -4.647 -2.994 1.00 0.00 N ATOM 408 CA LEU A 27 -1.952 -3.933 -1.745 1.00 0.00 C ATOM 409 C LEU A 27 -3.222 -4.570 -1.178 1.00 0.00 C ATOM 410 O LEU A 27 -4.252 -4.615 -1.820 1.00 0.00 O ATOM 411 CB LEU A 27 -2.215 -2.461 -2.079 1.00 0.00 C ATOM 412 CG LEU A 27 -2.236 -1.630 -0.786 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.236 -0.140 -1.134 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.482 -1.975 0.058 1.00 0.00 C ATOM 0 H LEU A 27 -2.190 -4.515 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.155 -4.004 -1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.442 -2.087 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.166 -2.361 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.347 -1.865 -0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.251 0.448 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.339 0.100 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.118 0.095 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.481 -1.378 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.382 -1.758 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.464 -3.033 0.318 1.00 0.00 H new ATOM 426 N HIS A 28 -3.142 -5.057 0.031 1.00 0.00 N ATOM 427 CA HIS A 28 -4.324 -5.699 0.686 1.00 0.00 C ATOM 428 C HIS A 28 -4.539 -5.082 2.071 1.00 0.00 C ATOM 429 O HIS A 28 -3.607 -4.833 2.813 1.00 0.00 O ATOM 430 CB HIS A 28 -4.073 -7.206 0.824 1.00 0.00 C ATOM 431 CG HIS A 28 -4.391 -7.887 -0.476 1.00 0.00 C ATOM 432 ND1 HIS A 28 -3.527 -7.861 -1.559 1.00 0.00 N ATOM 433 CD2 HIS A 28 -5.484 -8.608 -0.883 1.00 0.00 C ATOM 434 CE1 HIS A 28 -4.110 -8.551 -2.557 1.00 0.00 C ATOM 435 NE2 HIS A 28 -5.307 -9.028 -2.198 1.00 0.00 N ATOM 0 H HIS A 28 -2.297 -5.038 0.602 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.213 -5.535 0.077 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.034 -7.389 1.098 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.691 -7.617 1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -6.351 -8.818 -0.275 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.665 -8.701 -3.530 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.951 -9.580 -2.765 1.00 0.00 H new ATOM 443 N PHE A 29 -5.772 -4.843 2.411 1.00 0.00 N ATOM 444 CA PHE A 29 -6.102 -4.248 3.734 1.00 0.00 C ATOM 445 C PHE A 29 -5.754 -5.248 4.845 1.00 0.00 C ATOM 446 O PHE A 29 -5.341 -4.889 5.930 1.00 0.00 O ATOM 447 CB PHE A 29 -7.605 -3.926 3.781 1.00 0.00 C ATOM 448 CG PHE A 29 -8.408 -5.191 4.019 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.742 -6.024 2.945 1.00 0.00 C ATOM 450 CD2 PHE A 29 -8.815 -5.525 5.316 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.481 -7.192 3.169 1.00 0.00 C ATOM 452 CE2 PHE A 29 -9.554 -6.691 5.541 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.889 -7.525 4.467 1.00 0.00 C ATOM 0 H PHE A 29 -6.579 -5.038 1.818 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.528 -3.333 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.805 -3.206 4.574 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.914 -3.462 2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.430 -5.766 1.944 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.558 -4.881 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.737 -7.836 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.866 -6.948 6.542 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.462 -8.424 4.639 1.00 0.00 H new ATOM 463 N SER A 30 -5.942 -6.506 4.564 1.00 0.00 N ATOM 464 CA SER A 30 -5.650 -7.566 5.571 1.00 0.00 C ATOM 465 C SER A 30 -4.154 -7.570 5.901 1.00 0.00 C ATOM 466 O SER A 30 -3.749 -7.863 7.009 1.00 0.00 O ATOM 467 CB SER A 30 -6.042 -8.926 4.998 1.00 0.00 C ATOM 468 OG SER A 30 -7.460 -9.025 4.959 1.00 0.00 O ATOM 0 H SER A 30 -6.290 -6.850 3.669 1.00 0.00 H new ATOM 0 HA SER A 30 -6.220 -7.368 6.479 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.629 -9.045 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.626 -9.726 5.611 1.00 0.00 H new ATOM 0 HG SER A 30 -7.841 -8.163 4.691 1.00 0.00 H new ATOM 474 N GLU A 31 -3.335 -7.254 4.938 1.00 0.00 N ATOM 475 CA GLU A 31 -1.863 -7.247 5.181 1.00 0.00 C ATOM 476 C GLU A 31 -1.496 -6.060 6.078 1.00 0.00 C ATOM 477 O GLU A 31 -0.350 -5.863 6.432 1.00 0.00 O ATOM 478 CB GLU A 31 -1.129 -7.133 3.838 1.00 0.00 C ATOM 479 CG GLU A 31 -1.302 -8.439 3.053 1.00 0.00 C ATOM 480 CD GLU A 31 -0.645 -8.317 1.675 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.136 -7.251 1.372 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.662 -9.294 0.945 1.00 0.00 O ATOM 0 H GLU A 31 -3.620 -7.000 3.992 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.568 -8.172 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.525 -6.295 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.071 -6.933 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.856 -9.266 3.605 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.362 -8.667 2.940 1.00 0.00 H new ATOM 489 N LEU A 32 -2.466 -5.276 6.457 1.00 0.00 N ATOM 490 CA LEU A 32 -2.182 -4.104 7.337 1.00 0.00 C ATOM 491 C LEU A 32 -2.046 -4.571 8.789 1.00 0.00 C ATOM 492 O LEU A 32 -2.788 -5.410 9.261 1.00 0.00 O ATOM 493 CB LEU A 32 -3.319 -3.083 7.225 1.00 0.00 C ATOM 494 CG LEU A 32 -3.454 -2.619 5.769 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.654 -1.670 5.644 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.175 -1.885 5.327 1.00 0.00 C ATOM 0 H LEU A 32 -3.445 -5.395 6.196 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.250 -3.636 7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.255 -3.528 7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.119 -2.229 7.872 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.605 -3.490 5.131 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.751 -1.340 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.563 -2.191 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.502 -0.804 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.281 -1.560 4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.015 -1.016 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.322 -2.558 5.410 1.00 0.00 H new ATOM 508 N LEU A 33 -1.100 -4.014 9.492 1.00 0.00 N ATOM 509 CA LEU A 33 -0.885 -4.397 10.917 1.00 0.00 C ATOM 510 C LEU A 33 -2.114 -4.016 11.734 1.00 0.00 C ATOM 511 O LEU A 33 -2.557 -4.755 12.590 1.00 0.00 O ATOM 512 CB LEU A 33 0.329 -3.635 11.463 1.00 0.00 C ATOM 513 CG LEU A 33 1.611 -4.137 10.785 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.779 -3.216 11.158 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.924 -5.579 11.233 1.00 0.00 C ATOM 0 H LEU A 33 -0.460 -3.303 9.138 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.715 -5.471 10.985 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.208 -2.566 11.285 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.400 -3.773 12.542 1.00 0.00 H new ATOM 0 HG LEU A 33 1.468 -4.129 9.704 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.690 -3.571 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.564 -2.201 10.823 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.914 -3.220 12.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.836 -5.922 10.744 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.061 -5.602 12.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.097 -6.233 10.958 1.00 0.00 H new ATOM 527 N ASP A 34 -2.662 -2.862 11.472 1.00 0.00 N ATOM 528 CA ASP A 34 -3.871 -2.401 12.221 1.00 0.00 C ATOM 529 C ASP A 34 -4.947 -1.984 11.221 1.00 0.00 C ATOM 530 O ASP A 34 -4.750 -1.107 10.402 1.00 0.00 O ATOM 531 CB ASP A 34 -3.502 -1.222 13.122 1.00 0.00 C ATOM 532 CG ASP A 34 -2.629 -1.724 14.275 1.00 0.00 C ATOM 533 OD1 ASP A 34 -2.535 -2.930 14.441 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.074 -0.895 14.979 1.00 0.00 O ATOM 0 H ASP A 34 -2.322 -2.210 10.765 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.251 -3.210 12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.968 -0.464 12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.404 -0.750 13.512 1.00 0.00 H new ATOM 539 N LYS A 35 -6.079 -2.615 11.292 1.00 0.00 N ATOM 540 CA LYS A 35 -7.199 -2.286 10.361 1.00 0.00 C ATOM 541 C LYS A 35 -7.366 -0.766 10.272 1.00 0.00 C ATOM 542 O LYS A 35 -7.812 -0.232 9.275 1.00 0.00 O ATOM 543 CB LYS A 35 -8.488 -2.914 10.902 1.00 0.00 C ATOM 544 CG LYS A 35 -8.293 -4.425 11.105 1.00 0.00 C ATOM 545 CD LYS A 35 -8.054 -5.109 9.753 1.00 0.00 C ATOM 546 CE LYS A 35 -8.305 -6.612 9.880 1.00 0.00 C ATOM 547 NZ LYS A 35 -8.102 -7.260 8.553 1.00 0.00 N ATOM 0 H LYS A 35 -6.284 -3.356 11.963 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.983 -2.678 9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.762 -2.444 11.847 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.309 -2.735 10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.447 -4.605 11.768 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.172 -4.852 11.588 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.715 -4.683 8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.032 -4.929 9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.627 -7.044 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.319 -6.794 10.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.625 -8.159 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.451 -6.630 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.089 -7.444 8.408 1.00 0.00 H new ATOM 561 N LYS A 36 -7.000 -0.072 11.308 1.00 0.00 N ATOM 562 CA LYS A 36 -7.119 1.416 11.309 1.00 0.00 C ATOM 563 C LYS A 36 -6.181 2.003 10.247 1.00 0.00 C ATOM 564 O LYS A 36 -6.461 3.022 9.646 1.00 0.00 O ATOM 565 CB LYS A 36 -6.715 1.949 12.685 1.00 0.00 C ATOM 566 CG LYS A 36 -7.606 1.338 13.776 1.00 0.00 C ATOM 567 CD LYS A 36 -8.977 2.024 13.785 1.00 0.00 C ATOM 568 CE LYS A 36 -9.818 1.468 14.932 1.00 0.00 C ATOM 569 NZ LYS A 36 -11.145 2.147 14.941 1.00 0.00 N ATOM 0 H LYS A 36 -6.619 -0.472 12.165 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.147 1.702 11.087 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.670 1.709 12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.802 3.035 12.701 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.727 0.269 13.601 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.129 1.449 14.750 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.856 3.101 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.484 1.859 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.948 0.392 14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.309 1.627 15.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.722 1.772 15.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.011 3.170 15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.630 1.974 14.037 1.00 0.00 H new ATOM 583 N ASP A 37 -5.067 1.363 10.022 1.00 0.00 N ATOM 584 CA ASP A 37 -4.097 1.872 9.007 1.00 0.00 C ATOM 585 C ASP A 37 -4.772 1.895 7.634 1.00 0.00 C ATOM 586 O ASP A 37 -4.294 2.508 6.700 1.00 0.00 O ATOM 587 CB ASP A 37 -2.880 0.944 8.951 1.00 0.00 C ATOM 588 CG ASP A 37 -2.032 1.110 10.215 1.00 0.00 C ATOM 589 OD1 ASP A 37 -2.257 2.070 10.933 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.168 0.278 10.438 1.00 0.00 O ATOM 0 H ASP A 37 -4.784 0.506 10.498 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.778 2.877 9.281 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.207 -0.092 8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.281 1.171 8.069 1.00 0.00 H new ATOM 595 N GLU A 38 -5.888 1.232 7.519 1.00 0.00 N ATOM 596 CA GLU A 38 -6.625 1.201 6.221 1.00 0.00 C ATOM 597 C GLU A 38 -7.227 2.583 5.942 1.00 0.00 C ATOM 598 O GLU A 38 -7.369 3.002 4.809 1.00 0.00 O ATOM 599 CB GLU A 38 -7.746 0.161 6.306 1.00 0.00 C ATOM 600 CG GLU A 38 -8.464 0.059 4.958 1.00 0.00 C ATOM 601 CD GLU A 38 -9.561 -1.007 5.030 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.862 -1.452 6.126 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.083 -1.362 3.984 1.00 0.00 O ATOM 0 H GLU A 38 -6.327 0.705 8.274 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.940 0.937 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.334 -0.809 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.455 0.440 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.899 1.023 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.750 -0.194 4.174 1.00 0.00 H new ATOM 610 N GLY A 39 -7.584 3.290 6.979 1.00 0.00 N ATOM 611 CA GLY A 39 -8.182 4.647 6.811 1.00 0.00 C ATOM 612 C GLY A 39 -7.073 5.701 6.786 1.00 0.00 C ATOM 613 O GLY A 39 -7.321 6.873 6.589 1.00 0.00 O ATOM 0 H GLY A 39 -7.486 2.983 7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.758 4.689 5.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.874 4.853 7.627 1.00 0.00 H new ATOM 617 N LYS A 40 -5.847 5.289 6.983 1.00 0.00 N ATOM 618 CA LYS A 40 -4.706 6.255 6.968 1.00 0.00 C ATOM 619 C LYS A 40 -3.928 6.081 5.662 1.00 0.00 C ATOM 620 O LYS A 40 -2.876 6.652 5.468 1.00 0.00 O ATOM 621 CB LYS A 40 -3.785 5.979 8.162 1.00 0.00 C ATOM 622 CG LYS A 40 -4.502 6.357 9.466 1.00 0.00 C ATOM 623 CD LYS A 40 -3.502 6.377 10.629 1.00 0.00 C ATOM 624 CE LYS A 40 -3.073 4.951 10.981 1.00 0.00 C ATOM 625 NZ LYS A 40 -2.332 4.966 12.272 1.00 0.00 N ATOM 0 H LYS A 40 -5.585 4.318 7.155 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.082 7.276 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.505 4.926 8.182 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.863 6.552 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.971 7.335 9.362 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.298 5.642 9.673 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.629 6.971 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.954 6.854 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.947 4.304 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.442 4.543 10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.038 3.998 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.491 5.571 12.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.948 5.339 13.022 1.00 0.00 H new ATOM 639 N LEU A 41 -4.455 5.287 4.770 1.00 0.00 N ATOM 640 CA LEU A 41 -3.770 5.039 3.466 1.00 0.00 C ATOM 641 C LEU A 41 -3.747 6.316 2.633 1.00 0.00 C ATOM 642 O LEU A 41 -4.604 7.167 2.755 1.00 0.00 O ATOM 643 CB LEU A 41 -4.519 3.944 2.707 1.00 0.00 C ATOM 644 CG LEU A 41 -4.548 2.666 3.556 1.00 0.00 C ATOM 645 CD1 LEU A 41 -5.368 1.585 2.840 1.00 0.00 C ATOM 646 CD2 LEU A 41 -3.114 2.158 3.791 1.00 0.00 C ATOM 0 H LEU A 41 -5.340 4.794 4.889 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.744 4.723 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.535 4.270 2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.031 3.749 1.752 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.009 2.890 4.518 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.385 0.680 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.387 1.941 2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.915 1.365 1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.144 1.251 4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.643 1.941 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.538 2.922 4.313 1.00 0.00 H new ATOM 658 N VAL A 42 -2.750 6.455 1.799 1.00 0.00 N ATOM 659 CA VAL A 42 -2.627 7.679 0.951 1.00 0.00 C ATOM 660 C VAL A 42 -2.488 7.284 -0.515 1.00 0.00 C ATOM 661 O VAL A 42 -1.796 6.349 -0.863 1.00 0.00 O ATOM 662 CB VAL A 42 -1.402 8.486 1.392 1.00 0.00 C ATOM 663 CG1 VAL A 42 -0.119 7.667 1.207 1.00 0.00 C ATOM 664 CG2 VAL A 42 -1.322 9.763 0.556 1.00 0.00 C ATOM 0 H VAL A 42 -2.009 5.767 1.668 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.522 8.290 1.068 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.501 8.735 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.739 8.258 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.177 6.759 1.807 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.006 7.401 0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.453 10.345 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.231 9.502 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.225 10.354 0.707 1.00 0.00 H new ATOM 674 N LYS A 43 -3.169 7.998 -1.369 1.00 0.00 N ATOM 675 CA LYS A 43 -3.128 7.704 -2.833 1.00 0.00 C ATOM 676 C LYS A 43 -2.314 8.772 -3.571 1.00 0.00 C ATOM 677 O LYS A 43 -2.521 9.960 -3.410 1.00 0.00 O ATOM 678 CB LYS A 43 -4.555 7.690 -3.382 1.00 0.00 C ATOM 679 CG LYS A 43 -4.520 7.344 -4.875 1.00 0.00 C ATOM 680 CD LYS A 43 -5.945 7.266 -5.420 1.00 0.00 C ATOM 681 CE LYS A 43 -5.900 6.928 -6.913 1.00 0.00 C ATOM 682 NZ LYS A 43 -5.277 5.588 -7.103 1.00 0.00 N ATOM 0 H LYS A 43 -3.763 8.786 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.657 6.733 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.158 6.960 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.024 8.663 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.953 8.099 -5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.010 6.392 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.511 6.507 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.458 8.215 -5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.908 6.934 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.329 7.685 -7.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.356 5.697 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.141 5.134 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.899 4.996 -7.691 1.00 0.00 H new ATOM 696 N GLY A 44 -1.404 8.340 -4.393 1.00 0.00 N ATOM 697 CA GLY A 44 -0.566 9.286 -5.184 1.00 0.00 C ATOM 698 C GLY A 44 0.729 9.600 -4.435 1.00 0.00 C ATOM 699 O GLY A 44 1.716 10.003 -5.017 1.00 0.00 O ATOM 0 H GLY A 44 -1.200 7.354 -4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.335 8.852 -6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.120 10.206 -5.369 1.00 0.00 H new ATOM 703 N SER A 45 0.727 9.432 -3.142 1.00 0.00 N ATOM 704 CA SER A 45 1.952 9.738 -2.343 1.00 0.00 C ATOM 705 C SER A 45 2.837 8.497 -2.191 1.00 0.00 C ATOM 706 O SER A 45 2.531 7.415 -2.672 1.00 0.00 O ATOM 707 CB SER A 45 1.543 10.237 -0.959 1.00 0.00 C ATOM 708 OG SER A 45 0.503 11.196 -1.093 1.00 0.00 O ATOM 0 H SER A 45 -0.070 9.096 -2.601 1.00 0.00 H new ATOM 0 HA SER A 45 2.521 10.505 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.206 9.402 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.400 10.681 -0.452 1.00 0.00 H new ATOM 0 HG SER A 45 0.506 11.792 -0.315 1.00 0.00 H new ATOM 714 N MET A 46 3.942 8.667 -1.521 1.00 0.00 N ATOM 715 CA MET A 46 4.888 7.539 -1.312 1.00 0.00 C ATOM 716 C MET A 46 4.442 6.679 -0.132 1.00 0.00 C ATOM 717 O MET A 46 3.779 7.141 0.776 1.00 0.00 O ATOM 718 CB MET A 46 6.284 8.092 -1.034 1.00 0.00 C ATOM 719 CG MET A 46 6.816 8.777 -2.293 1.00 0.00 C ATOM 720 SD MET A 46 8.473 9.433 -1.976 1.00 0.00 S ATOM 721 CE MET A 46 7.968 11.019 -1.266 1.00 0.00 C ATOM 0 H MET A 46 4.232 9.552 -1.104 1.00 0.00 H new ATOM 0 HA MET A 46 4.904 6.923 -2.211 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.249 8.802 -0.207 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.954 7.286 -0.734 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.847 8.067 -3.119 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.146 9.583 -2.591 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.853 11.595 -0.995 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.383 11.576 -1.998 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.363 10.843 -0.376 1.00 0.00 H new ATOM 731 N VAL A 47 4.809 5.427 -0.146 1.00 0.00 N ATOM 732 CA VAL A 47 4.422 4.506 0.967 1.00 0.00 C ATOM 733 C VAL A 47 5.637 3.691 1.401 1.00 0.00 C ATOM 734 O VAL A 47 6.612 3.580 0.685 1.00 0.00 O ATOM 735 CB VAL A 47 3.326 3.554 0.489 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.083 4.361 0.121 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.806 2.769 -0.737 1.00 0.00 C ATOM 0 H VAL A 47 5.365 4.997 -0.885 1.00 0.00 H new ATOM 0 HA VAL A 47 4.054 5.095 1.807 1.00 0.00 H new ATOM 0 HB VAL A 47 3.089 2.852 1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.299 3.686 -0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.734 4.910 0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.328 5.064 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.017 2.094 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.051 3.463 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.692 2.191 -0.475 1.00 0.00 H new ATOM 747 N HIS A 48 5.575 3.125 2.575 1.00 0.00 N ATOM 748 CA HIS A 48 6.716 2.306 3.095 1.00 0.00 C ATOM 749 C HIS A 48 6.233 0.885 3.381 1.00 0.00 C ATOM 750 O HIS A 48 5.211 0.674 4.004 1.00 0.00 O ATOM 751 CB HIS A 48 7.247 2.933 4.383 1.00 0.00 C ATOM 752 CG HIS A 48 8.495 2.212 4.805 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.459 1.005 5.486 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.825 2.512 4.644 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.731 0.627 5.707 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.604 1.509 5.212 1.00 0.00 N ATOM 0 H HIS A 48 4.776 3.194 3.205 1.00 0.00 H new ATOM 0 HA HIS A 48 7.512 2.276 2.351 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.459 3.991 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.494 2.872 5.169 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.208 3.393 4.151 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.012 -0.280 6.222 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.622 1.458 5.244 1.00 0.00 H new ATOM 764 N PHE A 49 6.965 -0.087 2.918 1.00 0.00 N ATOM 765 CA PHE A 49 6.567 -1.506 3.144 1.00 0.00 C ATOM 766 C PHE A 49 7.809 -2.390 3.192 1.00 0.00 C ATOM 767 O PHE A 49 8.867 -2.027 2.717 1.00 0.00 O ATOM 768 CB PHE A 49 5.647 -1.980 2.016 1.00 0.00 C ATOM 769 CG PHE A 49 6.379 -1.938 0.690 1.00 0.00 C ATOM 770 CD1 PHE A 49 7.100 -3.056 0.247 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.325 -0.784 -0.102 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.763 -3.019 -0.986 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.991 -0.746 -1.334 1.00 0.00 C ATOM 774 CZ PHE A 49 7.709 -1.864 -1.776 1.00 0.00 C ATOM 0 H PHE A 49 7.828 0.039 2.389 1.00 0.00 H new ATOM 0 HA PHE A 49 6.035 -1.575 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.305 -2.995 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.760 -1.348 1.970 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.144 -3.946 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.769 0.078 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 49 8.316 -3.881 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.951 0.145 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.221 -1.836 -2.726 1.00 0.00 H new ATOM 784 N ASP A 50 7.676 -3.552 3.770 1.00 0.00 N ATOM 785 CA ASP A 50 8.831 -4.492 3.873 1.00 0.00 C ATOM 786 C ASP A 50 8.717 -5.554 2.767 1.00 0.00 C ATOM 787 O ASP A 50 7.635 -5.857 2.300 1.00 0.00 O ATOM 788 CB ASP A 50 8.804 -5.172 5.255 1.00 0.00 C ATOM 789 CG ASP A 50 9.544 -4.305 6.277 1.00 0.00 C ATOM 790 OD1 ASP A 50 9.033 -3.245 6.605 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.609 -4.709 6.710 1.00 0.00 O ATOM 0 H ASP A 50 6.807 -3.895 4.180 1.00 0.00 H new ATOM 0 HA ASP A 50 9.768 -3.948 3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.773 -5.326 5.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.269 -6.156 5.195 1.00 0.00 H new ATOM 796 N PRO A 51 9.827 -6.105 2.348 1.00 0.00 N ATOM 797 CA PRO A 51 9.863 -7.140 1.268 1.00 0.00 C ATOM 798 C PRO A 51 9.146 -8.438 1.659 1.00 0.00 C ATOM 799 O PRO A 51 9.336 -8.982 2.728 1.00 0.00 O ATOM 800 CB PRO A 51 11.373 -7.380 1.055 1.00 0.00 C ATOM 801 CG PRO A 51 12.014 -6.963 2.338 1.00 0.00 C ATOM 802 CD PRO A 51 11.174 -5.805 2.855 1.00 0.00 C ATOM 0 HA PRO A 51 9.342 -6.808 0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.579 -8.427 0.833 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.751 -6.796 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 51 12.031 -7.785 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.048 -6.657 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.190 -5.752 3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.539 -4.847 2.483 1.00 0.00 H new ATOM 810 N THR A 52 8.338 -8.942 0.770 1.00 0.00 N ATOM 811 CA THR A 52 7.612 -10.212 1.038 1.00 0.00 C ATOM 812 C THR A 52 7.289 -10.891 -0.309 1.00 0.00 C ATOM 813 O THR A 52 6.301 -10.570 -0.943 1.00 0.00 O ATOM 814 CB THR A 52 6.320 -9.923 1.794 1.00 0.00 C ATOM 815 OG1 THR A 52 6.649 -9.418 3.079 1.00 0.00 O ATOM 816 CG2 THR A 52 5.520 -11.219 1.947 1.00 0.00 C ATOM 0 H THR A 52 8.148 -8.523 -0.140 1.00 0.00 H new ATOM 0 HA THR A 52 8.232 -10.870 1.646 1.00 0.00 H new ATOM 0 HB THR A 52 5.723 -9.193 1.247 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.623 -9.346 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.596 -11.014 2.487 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.283 -11.619 0.961 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.111 -11.948 2.502 1.00 0.00 H new ATOM 824 N PRO A 53 8.123 -11.800 -0.760 1.00 0.00 N ATOM 825 CA PRO A 53 7.926 -12.500 -2.063 1.00 0.00 C ATOM 826 C PRO A 53 6.905 -13.642 -1.964 1.00 0.00 C ATOM 827 O PRO A 53 7.243 -14.779 -1.700 1.00 0.00 O ATOM 828 CB PRO A 53 9.330 -13.025 -2.393 1.00 0.00 C ATOM 829 CG PRO A 53 9.993 -13.238 -1.065 1.00 0.00 C ATOM 830 CD PRO A 53 9.344 -12.258 -0.080 1.00 0.00 C ATOM 0 HA PRO A 53 7.520 -11.843 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.279 -13.954 -2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.885 -12.310 -3.000 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.862 -14.267 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.066 -13.060 -1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.111 -12.744 0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.009 -11.424 0.145 1.00 0.00 H new ATOM 838 N THR A 54 5.660 -13.332 -2.181 1.00 0.00 N ATOM 839 CA THR A 54 4.599 -14.374 -2.109 1.00 0.00 C ATOM 840 C THR A 54 4.700 -15.272 -3.347 1.00 0.00 C ATOM 841 O THR A 54 5.227 -14.873 -4.370 1.00 0.00 O ATOM 842 CB THR A 54 3.215 -13.686 -2.065 1.00 0.00 C ATOM 843 OG1 THR A 54 3.286 -12.450 -2.766 1.00 0.00 O ATOM 844 CG2 THR A 54 2.810 -13.421 -0.613 1.00 0.00 C ATOM 0 H THR A 54 5.328 -12.394 -2.407 1.00 0.00 H new ATOM 0 HA THR A 54 4.725 -14.980 -1.212 1.00 0.00 H new ATOM 0 HB THR A 54 2.474 -14.336 -2.531 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.651 -12.460 -3.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.834 -12.936 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.759 -14.366 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.548 -12.772 -0.142 1.00 0.00 H new ATOM 852 N PRO A 55 4.189 -16.472 -3.258 1.00 0.00 N ATOM 853 CA PRO A 55 4.216 -17.443 -4.391 1.00 0.00 C ATOM 854 C PRO A 55 3.414 -16.917 -5.590 1.00 0.00 C ATOM 855 O PRO A 55 3.556 -17.381 -6.705 1.00 0.00 O ATOM 856 CB PRO A 55 3.564 -18.712 -3.801 1.00 0.00 C ATOM 857 CG PRO A 55 2.761 -18.225 -2.639 1.00 0.00 C ATOM 858 CD PRO A 55 3.538 -17.048 -2.071 1.00 0.00 C ATOM 0 HA PRO A 55 5.223 -17.622 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.933 -19.211 -4.537 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.318 -19.434 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.762 -17.921 -2.952 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.636 -19.009 -1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.880 -16.329 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.267 -17.368 -1.327 1.00 0.00 H new ATOM 866 N LYS A 56 2.573 -15.948 -5.357 1.00 0.00 N ATOM 867 CA LYS A 56 1.749 -15.381 -6.464 1.00 0.00 C ATOM 868 C LYS A 56 2.582 -14.380 -7.266 1.00 0.00 C ATOM 869 O LYS A 56 2.141 -13.853 -8.266 1.00 0.00 O ATOM 870 CB LYS A 56 0.523 -14.676 -5.864 1.00 0.00 C ATOM 871 CG LYS A 56 -0.561 -14.511 -6.936 1.00 0.00 C ATOM 872 CD LYS A 56 -1.834 -13.949 -6.299 1.00 0.00 C ATOM 873 CE LYS A 56 -2.917 -13.802 -7.371 1.00 0.00 C ATOM 874 NZ LYS A 56 -4.167 -13.280 -6.747 1.00 0.00 N ATOM 0 H LYS A 56 2.419 -15.522 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 56 1.423 -16.182 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.133 -15.255 -5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.810 -13.701 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.210 -13.842 -7.722 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.771 -15.472 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.180 -14.612 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.628 -12.982 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.578 -13.124 -8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.109 -14.765 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.903 -13.180 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.492 -13.943 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.979 -12.353 -6.316 1.00 0.00 H new ATOM 888 N GLY A 57 3.795 -14.132 -6.843 1.00 0.00 N ATOM 889 CA GLY A 57 4.687 -13.183 -7.588 1.00 0.00 C ATOM 890 C GLY A 57 5.312 -12.170 -6.627 1.00 0.00 C ATOM 891 O GLY A 57 6.387 -12.379 -6.100 1.00 0.00 O ATOM 0 H GLY A 57 4.211 -14.547 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.472 -13.739 -8.101 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.114 -12.661 -8.354 1.00 0.00 H new ATOM 895 N LEU A 58 4.643 -11.069 -6.401 1.00 0.00 N ATOM 896 CA LEU A 58 5.188 -10.021 -5.482 1.00 0.00 C ATOM 897 C LEU A 58 4.072 -9.441 -4.624 1.00 0.00 C ATOM 898 O LEU A 58 3.028 -9.059 -5.115 1.00 0.00 O ATOM 899 CB LEU A 58 5.834 -8.899 -6.308 1.00 0.00 C ATOM 900 CG LEU A 58 7.208 -9.359 -6.834 1.00 0.00 C ATOM 901 CD1 LEU A 58 7.572 -8.575 -8.097 1.00 0.00 C ATOM 902 CD2 LEU A 58 8.284 -9.111 -5.765 1.00 0.00 C ATOM 0 H LEU A 58 3.737 -10.848 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 58 5.936 -10.476 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.186 -8.631 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.950 -8.005 -5.695 1.00 0.00 H new ATOM 0 HG LEU A 58 7.157 -10.423 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.544 -8.905 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.817 -8.750 -8.864 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.614 -7.511 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.253 -9.438 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.326 -8.047 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.037 -9.672 -4.863 1.00 0.00 H new ATOM 914 N ALA A 59 4.297 -9.371 -3.346 1.00 0.00 N ATOM 915 CA ALA A 59 3.263 -8.816 -2.425 1.00 0.00 C ATOM 916 C ALA A 59 3.939 -7.990 -1.331 1.00 0.00 C ATOM 917 O ALA A 59 5.031 -8.288 -0.888 1.00 0.00 O ATOM 918 CB ALA A 59 2.485 -9.964 -1.786 1.00 0.00 C ATOM 0 H ALA A 59 5.158 -9.676 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 59 2.581 -8.180 -2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.729 -9.561 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.000 -10.553 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.170 -10.599 -1.224 1.00 0.00 H new ATOM 924 N ALA A 60 3.283 -6.952 -0.902 1.00 0.00 N ATOM 925 CA ALA A 60 3.851 -6.072 0.160 1.00 0.00 C ATOM 926 C ALA A 60 3.404 -6.564 1.536 1.00 0.00 C ATOM 927 O ALA A 60 2.389 -7.218 1.679 1.00 0.00 O ATOM 928 CB ALA A 60 3.344 -4.645 -0.052 1.00 0.00 C ATOM 0 H ALA A 60 2.365 -6.670 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 60 4.939 -6.095 0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.754 -3.995 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.660 -4.288 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.256 -4.633 0.005 1.00 0.00 H new ATOM 934 N LYS A 61 4.160 -6.245 2.548 1.00 0.00 N ATOM 935 CA LYS A 61 3.798 -6.679 3.928 1.00 0.00 C ATOM 936 C LYS A 61 4.159 -5.581 4.932 1.00 0.00 C ATOM 937 O LYS A 61 5.120 -4.849 4.764 1.00 0.00 O ATOM 938 CB LYS A 61 4.551 -7.960 4.287 1.00 0.00 C ATOM 939 CG LYS A 61 4.045 -8.468 5.639 1.00 0.00 C ATOM 940 CD LYS A 61 4.699 -9.810 5.970 1.00 0.00 C ATOM 941 CE LYS A 61 4.167 -10.313 7.315 1.00 0.00 C ATOM 942 NZ LYS A 61 4.788 -11.629 7.638 1.00 0.00 N ATOM 0 H LYS A 61 5.019 -5.699 2.479 1.00 0.00 H new ATOM 0 HA LYS A 61 2.725 -6.867 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.396 -8.717 3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.623 -7.767 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.272 -7.741 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.961 -8.579 5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.484 -10.536 5.186 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.782 -9.699 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.392 -9.591 8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.082 -10.412 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.426 -11.969 8.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.551 -12.316 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.821 -11.521 7.694 1.00 0.00 H new ATOM 956 N ALA A 62 3.383 -5.476 5.971 1.00 0.00 N ATOM 957 CA ALA A 62 3.626 -4.446 7.021 1.00 0.00 C ATOM 958 C ALA A 62 3.688 -3.056 6.382 1.00 0.00 C ATOM 959 O ALA A 62 4.607 -2.290 6.604 1.00 0.00 O ATOM 960 CB ALA A 62 4.932 -4.752 7.757 1.00 0.00 C ATOM 0 H ALA A 62 2.573 -6.072 6.142 1.00 0.00 H new ATOM 0 HA ALA A 62 2.806 -4.465 7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.104 -3.996 8.523 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.864 -5.734 8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.760 -4.745 7.048 1.00 0.00 H new ATOM 966 N ILE A 63 2.701 -2.732 5.595 1.00 0.00 N ATOM 967 CA ILE A 63 2.670 -1.398 4.928 1.00 0.00 C ATOM 968 C ILE A 63 2.474 -0.305 5.979 1.00 0.00 C ATOM 969 O ILE A 63 1.716 -0.461 6.916 1.00 0.00 O ATOM 970 CB ILE A 63 1.517 -1.356 3.924 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.762 -2.406 2.839 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.448 0.033 3.282 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.494 -2.595 2.003 1.00 0.00 C ATOM 0 H ILE A 63 1.908 -3.338 5.383 1.00 0.00 H new ATOM 0 HA ILE A 63 3.612 -1.232 4.405 1.00 0.00 H new ATOM 0 HB ILE A 63 0.577 -1.565 4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.587 -2.095 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.052 -3.353 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.626 0.063 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.283 0.783 4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.385 0.243 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.675 -3.344 1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.320 -2.927 2.647 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.223 -1.649 1.534 1.00 0.00 H new ATOM 985 N SER A 64 3.168 0.790 5.831 1.00 0.00 N ATOM 986 CA SER A 64 3.053 1.907 6.820 1.00 0.00 C ATOM 987 C SER A 64 2.801 3.226 6.089 1.00 0.00 C ATOM 988 O SER A 64 3.222 3.429 4.963 1.00 0.00 O ATOM 989 CB SER A 64 4.351 2.008 7.617 1.00 0.00 C ATOM 990 OG SER A 64 4.293 3.147 8.460 1.00 0.00 O ATOM 0 H SER A 64 3.816 0.963 5.062 1.00 0.00 H new ATOM 0 HA SER A 64 2.220 1.708 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.497 1.107 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.202 2.084 6.940 1.00 0.00 H new ATOM 0 HG SER A 64 5.124 3.215 8.975 1.00 0.00 H new ATOM 996 N LEU A 65 2.097 4.113 6.747 1.00 0.00 N ATOM 997 CA LEU A 65 1.759 5.447 6.161 1.00 0.00 C ATOM 998 C LEU A 65 2.514 6.538 6.928 1.00 0.00 C ATOM 999 O LEU A 65 1.968 7.169 7.814 1.00 0.00 O ATOM 1000 CB LEU A 65 0.245 5.685 6.284 1.00 0.00 C ATOM 1001 CG LEU A 65 -0.523 4.485 5.702 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.006 4.171 4.287 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.381 3.236 6.611 1.00 0.00 C ATOM 0 H LEU A 65 1.734 3.964 7.688 1.00 0.00 H new ATOM 0 HA LEU A 65 2.047 5.474 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.026 5.828 7.330 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.033 6.597 5.755 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.580 4.747 5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.553 3.321 3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.154 5.039 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.056 3.931 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.934 2.404 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.672 2.967 6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.781 3.459 7.600 1.00 0.00 H new ATOM 1015 N PRO A 66 3.768 6.753 6.604 1.00 0.00 N ATOM 1016 CA PRO A 66 4.608 7.779 7.289 1.00 0.00 C ATOM 1017 C PRO A 66 4.214 9.202 6.871 1.00 0.00 C ATOM 1018 O PRO A 66 5.045 10.059 6.646 1.00 0.00 O ATOM 1019 CB PRO A 66 6.034 7.430 6.836 1.00 0.00 C ATOM 1020 CG PRO A 66 5.863 6.768 5.507 1.00 0.00 C ATOM 1021 CD PRO A 66 4.523 6.046 5.550 1.00 0.00 C ATOM 0 HA PRO A 66 4.493 7.766 8.373 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.653 8.324 6.756 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.524 6.766 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.881 7.503 4.703 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.675 6.067 5.316 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.011 6.098 4.589 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.647 4.990 5.788 1.00 0.00 H new ATOM 1029 N LEU A 67 2.942 9.439 6.761 1.00 0.00 N ATOM 1030 CA LEU A 67 2.449 10.790 6.349 1.00 0.00 C ATOM 1031 C LEU A 67 2.983 11.858 7.304 1.00 0.00 C ATOM 1032 O LEU A 67 3.079 11.655 8.498 1.00 0.00 O ATOM 1033 CB LEU A 67 0.913 10.814 6.381 1.00 0.00 C ATOM 1034 CG LEU A 67 0.360 9.528 5.765 1.00 0.00 C ATOM 1035 CD1 LEU A 67 -1.156 9.650 5.594 1.00 0.00 C ATOM 1036 CD2 LEU A 67 1.007 9.283 4.400 1.00 0.00 C ATOM 0 H LEU A 67 2.210 8.752 6.939 1.00 0.00 H new ATOM 0 HA LEU A 67 2.801 10.997 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.563 10.915 7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.542 11.679 5.832 1.00 0.00 H new ATOM 0 HG LEU A 67 0.587 8.691 6.426 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.548 8.732 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.620 9.814 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.382 10.491 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.608 8.365 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.788 10.121 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.086 9.188 4.521 1.00 0.00 H new ATOM 1048 N GLU A 68 3.329 12.998 6.772 1.00 0.00 N ATOM 1049 CA GLU A 68 3.864 14.114 7.612 1.00 0.00 C ATOM 1050 C GLU A 68 3.118 15.407 7.265 1.00 0.00 C ATOM 1051 O GLU A 68 3.546 16.188 6.441 1.00 0.00 O ATOM 1052 CB GLU A 68 5.363 14.273 7.338 1.00 0.00 C ATOM 1053 CG GLU A 68 6.105 13.063 7.913 1.00 0.00 C ATOM 1054 CD GLU A 68 7.599 13.166 7.601 1.00 0.00 C ATOM 1055 OE1 GLU A 68 7.989 14.132 6.966 1.00 0.00 O ATOM 1056 OE2 GLU A 68 8.331 12.276 8.005 1.00 0.00 O ATOM 0 H GLU A 68 3.264 13.209 5.776 1.00 0.00 H new ATOM 0 HA GLU A 68 3.718 13.894 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.544 14.351 6.266 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.733 15.192 7.791 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.953 13.012 8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.700 12.144 7.490 1.00 0.00 H new ATOM 1063 N HIS A 69 1.997 15.623 7.901 1.00 0.00 N ATOM 1064 CA HIS A 69 1.191 16.853 7.638 1.00 0.00 C ATOM 1065 C HIS A 69 1.753 18.022 8.452 1.00 0.00 C ATOM 1066 O HIS A 69 2.298 18.967 7.918 1.00 0.00 O ATOM 1067 CB HIS A 69 -0.256 16.607 8.074 1.00 0.00 C ATOM 1068 CG HIS A 69 -1.094 17.813 7.751 1.00 0.00 C ATOM 1069 ND1 HIS A 69 -1.487 18.107 6.457 1.00 0.00 N ATOM 1070 CD2 HIS A 69 -1.624 18.806 8.540 1.00 0.00 C ATOM 1071 CE1 HIS A 69 -2.221 19.234 6.501 1.00 0.00 C ATOM 1072 NE2 HIS A 69 -2.336 19.703 7.747 1.00 0.00 N ATOM 0 H HIS A 69 1.601 14.993 8.599 1.00 0.00 H new ATOM 0 HA HIS A 69 1.232 17.089 6.575 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -0.655 15.729 7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -0.294 16.402 9.144 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.506 18.880 9.611 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -2.663 19.703 5.634 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -2.837 20.538 8.052 1.00 0.00 H new ATOM 1080 N HIS A 70 1.614 17.958 9.749 1.00 0.00 N ATOM 1081 CA HIS A 70 2.132 19.054 10.619 1.00 0.00 C ATOM 1082 C HIS A 70 3.660 19.067 10.569 1.00 0.00 C ATOM 1083 O HIS A 70 4.287 20.105 10.480 1.00 0.00 O ATOM 1084 CB HIS A 70 1.675 18.817 12.060 1.00 0.00 C ATOM 1085 CG HIS A 70 2.115 19.967 12.921 1.00 0.00 C ATOM 1086 ND1 HIS A 70 1.532 21.220 12.829 1.00 0.00 N ATOM 1087 CD2 HIS A 70 3.082 20.073 13.891 1.00 0.00 C ATOM 1088 CE1 HIS A 70 2.148 22.021 13.718 1.00 0.00 C ATOM 1089 NE2 HIS A 70 3.101 21.372 14.393 1.00 0.00 N ATOM 0 H HIS A 70 1.162 17.190 10.246 1.00 0.00 H new ATOM 0 HA HIS A 70 1.748 20.011 10.265 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.590 18.716 12.097 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.095 17.885 12.437 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.729 19.271 14.215 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.902 23.062 13.868 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.711 21.747 15.119 1.00 0.00 H new ATOM 1097 N HIS A 71 4.258 17.911 10.638 1.00 0.00 N ATOM 1098 CA HIS A 71 5.745 17.830 10.610 1.00 0.00 C ATOM 1099 C HIS A 71 6.250 18.018 9.180 1.00 0.00 C ATOM 1100 O HIS A 71 5.620 17.616 8.219 1.00 0.00 O ATOM 1101 CB HIS A 71 6.194 16.468 11.145 1.00 0.00 C ATOM 1102 CG HIS A 71 5.905 16.388 12.621 1.00 0.00 C ATOM 1103 ND1 HIS A 71 4.647 16.072 13.114 1.00 0.00 N ATOM 1104 CD2 HIS A 71 6.699 16.583 13.723 1.00 0.00 C ATOM 1105 CE1 HIS A 71 4.722 16.088 14.458 1.00 0.00 C ATOM 1106 NE2 HIS A 71 5.952 16.394 14.881 1.00 0.00 N ATOM 0 H HIS A 71 3.778 17.014 10.713 1.00 0.00 H new ATOM 0 HA HIS A 71 6.160 18.619 11.238 1.00 0.00 H new ATOM 0 HB2 HIS A 71 5.673 15.669 10.618 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.260 16.328 10.964 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.747 16.844 13.695 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.890 15.879 15.114 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.274 16.472 15.846 1.00 0.00 H new ATOM 1114 N HIS A 72 7.388 18.631 9.047 1.00 0.00 N ATOM 1115 CA HIS A 72 7.977 18.871 7.700 1.00 0.00 C ATOM 1116 C HIS A 72 6.935 19.477 6.760 1.00 0.00 C ATOM 1117 O HIS A 72 5.796 19.705 7.123 1.00 0.00 O ATOM 1118 CB HIS A 72 8.493 17.556 7.112 1.00 0.00 C ATOM 1119 CG HIS A 72 9.581 17.003 7.993 1.00 0.00 C ATOM 1120 ND1 HIS A 72 10.862 17.533 8.010 1.00 0.00 N ATOM 1121 CD2 HIS A 72 9.596 15.963 8.891 1.00 0.00 C ATOM 1122 CE1 HIS A 72 11.586 16.818 8.889 1.00 0.00 C ATOM 1123 NE2 HIS A 72 10.863 15.849 9.454 1.00 0.00 N ATOM 0 H HIS A 72 7.946 18.982 9.825 1.00 0.00 H new ATOM 0 HA HIS A 72 8.806 19.570 7.806 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.677 16.838 7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 72 8.875 17.721 6.105 1.00 0.00 H new ATOM 0 HD2 HIS A 72 8.752 15.330 9.124 1.00 0.00 H new ATOM 0 HE1 HIS A 72 12.626 17.005 9.111 1.00 0.00 H new ATOM 0 HE2 HIS A 72 11.173 15.170 10.150 1.00 0.00 H new ATOM 1131 N HIS A 73 7.335 19.743 5.547 1.00 0.00 N ATOM 1132 CA HIS A 73 6.404 20.344 4.546 1.00 0.00 C ATOM 1133 C HIS A 73 5.606 21.481 5.194 1.00 0.00 C ATOM 1134 O HIS A 73 4.487 21.308 5.641 1.00 0.00 O ATOM 1135 CB HIS A 73 5.461 19.263 4.008 1.00 0.00 C ATOM 1136 CG HIS A 73 6.262 18.263 3.212 1.00 0.00 C ATOM 1137 ND1 HIS A 73 6.888 17.175 3.804 1.00 0.00 N ATOM 1138 CD2 HIS A 73 6.550 18.175 1.872 1.00 0.00 C ATOM 1139 CE1 HIS A 73 7.512 16.486 2.828 1.00 0.00 C ATOM 1140 NE2 HIS A 73 7.338 17.054 1.631 1.00 0.00 N ATOM 0 H HIS A 73 8.279 19.568 5.201 1.00 0.00 H new ATOM 0 HA HIS A 73 6.978 20.754 3.715 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.950 18.765 4.832 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.691 19.713 3.381 1.00 0.00 H new ATOM 0 HD2 HIS A 73 6.215 18.872 1.118 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.083 15.584 2.993 1.00 0.00 H new ATOM 0 HE2 HIS A 73 7.704 16.735 0.734 1.00 0.00 H new ATOM 1148 N HIS A 74 6.187 22.648 5.241 1.00 0.00 N ATOM 1149 CA HIS A 74 5.496 23.826 5.852 1.00 0.00 C ATOM 1150 C HIS A 74 4.431 24.359 4.890 1.00 0.00 C ATOM 1151 O HIS A 74 3.973 23.590 4.058 1.00 0.00 O ATOM 1152 CB HIS A 74 6.528 24.925 6.131 1.00 0.00 C ATOM 1153 CG HIS A 74 7.534 24.433 7.138 1.00 0.00 C ATOM 1154 ND1 HIS A 74 7.232 24.314 8.485 1.00 0.00 N ATOM 1155 CD2 HIS A 74 8.842 24.026 7.011 1.00 0.00 C ATOM 1156 CE1 HIS A 74 8.330 23.852 9.110 1.00 0.00 C ATOM 1157 NE2 HIS A 74 9.340 23.659 8.259 1.00 0.00 N ATOM 1158 OXT HIS A 74 4.087 25.523 5.001 1.00 0.00 O ATOM 0 H HIS A 74 7.121 22.841 4.879 1.00 0.00 H new ATOM 0 HA HIS A 74 5.017 23.524 6.783 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.032 25.207 5.207 1.00 0.00 H new ATOM 0 HB3 HIS A 74 6.029 25.818 6.507 1.00 0.00 H new ATOM 0 HD2 HIS A 74 9.398 23.996 6.085 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.387 23.661 10.171 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.276 23.316 8.476 1.00 0.00 H new TER 1166 HIS A 74