USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 464 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 8 TYR OH : rot 180:sc= -0.0469 USER MOD Single : A 9 TYR OH : rot 180:sc=-0.00185 USER MOD Single : A 12 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.48) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 28 THR OG1 : rot 39:sc= 0.122 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -41:sc= 0.734 USER MOD Single : A 53 ASN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.0717 K(o=-0.072,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 59 N PHE A 5 1.784 5.206 -11.027 1.00 34.11 N ATOM 60 CA PHE A 5 2.313 5.366 -12.376 1.00 72.13 C ATOM 61 C PHE A 5 2.171 6.810 -12.848 1.00 71.05 C ATOM 62 O PHE A 5 1.451 7.605 -12.244 1.00 11.12 O ATOM 63 CB PHE A 5 1.590 4.427 -13.345 1.00 3.40 C ATOM 64 CG PHE A 5 2.198 3.056 -13.417 1.00 24.12 C ATOM 65 CD1 PHE A 5 1.867 2.087 -12.483 1.00 41.05 C ATOM 66 CD2 PHE A 5 3.102 2.736 -14.417 1.00 71.13 C ATOM 67 CE1 PHE A 5 2.425 0.824 -12.547 1.00 34.22 C ATOM 68 CE2 PHE A 5 3.662 1.474 -14.486 1.00 43.40 C ATOM 69 CZ PHE A 5 3.324 0.518 -13.549 1.00 22.40 C ATOM 0 HA PHE A 5 3.373 5.111 -12.357 1.00 72.13 H new ATOM 0 HB2 PHE A 5 0.547 4.338 -13.041 1.00 3.40 H new ATOM 0 HB3 PHE A 5 1.595 4.871 -14.341 1.00 3.40 H new ATOM 0 HD1 PHE A 5 1.165 2.321 -11.696 1.00 41.05 H new ATOM 0 HD2 PHE A 5 3.372 3.481 -15.151 1.00 71.13 H new ATOM 0 HE1 PHE A 5 2.158 0.077 -11.814 1.00 34.22 H new ATOM 0 HE2 PHE A 5 4.363 1.236 -15.272 1.00 43.40 H new ATOM 0 HZ PHE A 5 3.762 -0.468 -13.600 1.00 22.40 H new ATOM 79 N CYS A 6 2.863 7.142 -13.933 1.00 5.33 N ATOM 80 CA CYS A 6 2.817 8.490 -14.487 1.00 61.21 C ATOM 81 C CYS A 6 2.313 8.469 -15.927 1.00 74.51 C ATOM 82 O CYS A 6 2.657 7.578 -16.704 1.00 35.51 O ATOM 83 CB CYS A 6 4.203 9.135 -14.430 1.00 40.32 C ATOM 84 SG CYS A 6 4.928 9.193 -12.760 1.00 64.11 S ATOM 0 H CYS A 6 3.462 6.496 -14.446 1.00 5.33 H new ATOM 0 HA CYS A 6 2.124 9.079 -13.886 1.00 61.21 H new ATOM 0 HB2 CYS A 6 4.876 8.584 -15.088 1.00 40.32 H new ATOM 0 HB3 CYS A 6 4.136 10.150 -14.821 1.00 40.32 H new ATOM 89 N VAL A 7 1.495 9.457 -16.277 1.00 32.55 N ATOM 90 CA VAL A 7 0.944 9.553 -17.623 1.00 34.21 C ATOM 91 C VAL A 7 1.361 10.856 -18.296 1.00 31.43 C ATOM 92 O VAL A 7 1.566 11.872 -17.631 1.00 62.43 O ATOM 93 CB VAL A 7 -0.594 9.465 -17.607 1.00 51.44 C ATOM 94 CG1 VAL A 7 -1.138 9.378 -19.025 1.00 55.21 C ATOM 95 CG2 VAL A 7 -1.051 8.275 -16.778 1.00 14.11 C ATOM 0 H VAL A 7 1.199 10.202 -15.646 1.00 32.55 H new ATOM 0 HA VAL A 7 1.343 8.711 -18.189 1.00 34.21 H new ATOM 0 HB VAL A 7 -0.988 10.371 -17.147 1.00 51.44 H new ATOM 0 HG11 VAL A 7 -2.226 9.316 -18.994 1.00 55.21 H new ATOM 0 HG12 VAL A 7 -0.840 10.265 -19.584 1.00 55.21 H new ATOM 0 HG13 VAL A 7 -0.738 8.490 -19.514 1.00 55.21 H new ATOM 0 HG21 VAL A 7 -2.140 8.228 -16.778 1.00 14.11 H new ATOM 0 HG22 VAL A 7 -0.649 7.357 -17.206 1.00 14.11 H new ATOM 0 HG23 VAL A 7 -0.692 8.385 -15.755 1.00 14.11 H new ATOM 105 N TYR A 8 1.484 10.819 -19.618 1.00 22.02 N ATOM 106 CA TYR A 8 1.879 11.997 -20.382 1.00 20.45 C ATOM 107 C TYR A 8 0.856 12.308 -21.470 1.00 44.10 C ATOM 108 O TYR A 8 0.384 11.411 -22.169 1.00 41.30 O ATOM 109 CB TYR A 8 3.259 11.785 -21.008 1.00 14.34 C ATOM 110 CG TYR A 8 4.197 12.954 -20.813 1.00 43.51 C ATOM 111 CD1 TYR A 8 4.444 13.470 -19.547 1.00 14.13 C ATOM 112 CD2 TYR A 8 4.839 13.543 -21.896 1.00 71.01 C ATOM 113 CE1 TYR A 8 5.300 14.539 -19.365 1.00 31.44 C ATOM 114 CE2 TYR A 8 5.698 14.611 -21.723 1.00 50.03 C ATOM 115 CZ TYR A 8 5.925 15.105 -20.456 1.00 12.52 C ATOM 116 OH TYR A 8 6.780 16.169 -20.278 1.00 53.24 O ATOM 0 H TYR A 8 1.316 9.987 -20.183 1.00 22.02 H new ATOM 0 HA TYR A 8 1.924 12.845 -19.698 1.00 20.45 H new ATOM 0 HB2 TYR A 8 3.711 10.891 -20.577 1.00 14.34 H new ATOM 0 HB3 TYR A 8 3.140 11.599 -22.075 1.00 14.34 H new ATOM 0 HD1 TYR A 8 3.958 13.028 -18.690 1.00 14.13 H new ATOM 0 HD2 TYR A 8 4.663 13.159 -22.890 1.00 71.01 H new ATOM 0 HE1 TYR A 8 5.479 14.929 -18.374 1.00 31.44 H new ATOM 0 HE2 TYR A 8 6.189 15.057 -22.576 1.00 50.03 H new ATOM 0 HH TYR A 8 7.138 16.450 -21.146 1.00 53.24 H new ATOM 126 N TYR A 9 0.520 13.586 -21.608 1.00 33.42 N ATOM 127 CA TYR A 9 -0.448 14.017 -22.609 1.00 41.24 C ATOM 128 C TYR A 9 0.115 15.154 -23.456 1.00 42.44 C ATOM 129 O TYR A 9 1.232 15.619 -23.228 1.00 62.14 O ATOM 130 CB TYR A 9 -1.747 14.463 -21.935 1.00 44.24 C ATOM 131 CG TYR A 9 -2.505 13.334 -21.276 1.00 33.12 C ATOM 132 CD1 TYR A 9 -3.435 12.586 -21.988 1.00 50.33 C ATOM 133 CD2 TYR A 9 -2.293 13.015 -19.940 1.00 75.13 C ATOM 134 CE1 TYR A 9 -4.131 11.554 -21.390 1.00 32.02 C ATOM 135 CE2 TYR A 9 -2.984 11.983 -19.334 1.00 41.40 C ATOM 136 CZ TYR A 9 -3.902 11.256 -20.063 1.00 2.13 C ATOM 137 OH TYR A 9 -4.593 10.229 -19.462 1.00 63.21 O ATOM 0 H TYR A 9 0.904 14.341 -21.039 1.00 33.42 H new ATOM 0 HA TYR A 9 -0.658 13.170 -23.262 1.00 41.24 H new ATOM 0 HB2 TYR A 9 -1.516 15.221 -21.186 1.00 44.24 H new ATOM 0 HB3 TYR A 9 -2.389 14.935 -22.679 1.00 44.24 H new ATOM 0 HD1 TYR A 9 -3.617 12.816 -23.027 1.00 50.33 H new ATOM 0 HD2 TYR A 9 -1.576 13.583 -19.366 1.00 75.13 H new ATOM 0 HE1 TYR A 9 -4.851 10.983 -21.958 1.00 32.02 H new ATOM 0 HE2 TYR A 9 -2.806 11.747 -18.295 1.00 41.40 H new ATOM 0 HH TYR A 9 -4.313 10.150 -18.526 1.00 63.21 H new ATOM 147 N ASP A 10 -0.667 15.598 -24.434 1.00 60.02 N ATOM 148 CA ASP A 10 -0.249 16.682 -25.316 1.00 1.04 C ATOM 149 C ASP A 10 -1.244 17.837 -25.265 1.00 43.54 C ATOM 150 O ASP A 10 -2.426 17.640 -24.989 1.00 11.42 O ATOM 151 CB ASP A 10 -0.109 16.175 -26.752 1.00 10.12 C ATOM 152 CG ASP A 10 1.293 16.361 -27.297 1.00 62.04 C ATOM 153 OD1 ASP A 10 2.257 16.228 -26.515 1.00 23.43 O ATOM 154 OD2 ASP A 10 1.426 16.639 -28.507 1.00 65.03 O ATOM 0 H ASP A 10 -1.594 15.224 -24.636 1.00 60.02 H new ATOM 0 HA ASP A 10 0.720 17.045 -24.972 1.00 1.04 H new ATOM 0 HB2 ASP A 10 -0.373 15.118 -26.788 1.00 10.12 H new ATOM 0 HB3 ASP A 10 -0.817 16.702 -27.391 1.00 10.12 H new ATOM 159 N GLY A 11 -0.755 19.045 -25.534 1.00 72.41 N ATOM 160 CA GLY A 11 -1.614 20.214 -25.513 1.00 52.11 C ATOM 161 C GLY A 11 -2.857 20.036 -26.363 1.00 21.03 C ATOM 162 O GLY A 11 -2.797 20.124 -27.590 1.00 10.35 O ATOM 0 H GLY A 11 0.220 19.234 -25.766 1.00 72.41 H new ATOM 0 HA2 GLY A 11 -1.908 20.427 -24.485 1.00 52.11 H new ATOM 0 HA3 GLY A 11 -1.054 21.079 -25.870 1.00 52.11 H new ATOM 166 N HIS A 12 -3.987 19.783 -25.710 1.00 21.30 N ATOM 167 CA HIS A 12 -5.250 19.590 -26.414 1.00 42.30 C ATOM 168 C HIS A 12 -6.414 19.520 -25.431 1.00 75.41 C ATOM 169 O HIS A 12 -6.375 18.764 -24.459 1.00 72.01 O ATOM 170 CB HIS A 12 -5.200 18.315 -27.256 1.00 25.12 C ATOM 171 CG HIS A 12 -4.970 18.568 -28.714 1.00 5.41 C ATOM 172 ND1 HIS A 12 -4.198 17.747 -29.508 1.00 61.41 N ATOM 173 CD2 HIS A 12 -5.416 19.558 -29.522 1.00 14.33 C ATOM 174 CE1 HIS A 12 -4.179 18.221 -30.741 1.00 4.01 C ATOM 175 NE2 HIS A 12 -4.911 19.320 -30.776 1.00 61.20 N ATOM 0 H HIS A 12 -4.054 19.707 -24.695 1.00 21.30 H new ATOM 0 HA HIS A 12 -5.405 20.445 -27.073 1.00 42.30 H new ATOM 0 HB2 HIS A 12 -4.406 17.671 -26.878 1.00 25.12 H new ATOM 0 HB3 HIS A 12 -6.137 17.772 -27.133 1.00 25.12 H new ATOM 0 HD2 HIS A 12 -6.051 20.382 -29.234 1.00 14.33 H new ATOM 0 HE1 HIS A 12 -3.654 17.784 -31.578 1.00 4.01 H new ATOM 0 HE2 HIS A 12 -5.074 19.898 -31.601 1.00 61.20 H new ATOM 183 N LEU A 13 -7.449 20.311 -25.690 1.00 12.54 N ATOM 184 CA LEU A 13 -8.626 20.339 -24.827 1.00 45.52 C ATOM 185 C LEU A 13 -9.149 18.929 -24.574 1.00 3.21 C ATOM 186 O LEU A 13 -8.846 17.987 -25.307 1.00 1.43 O ATOM 187 CB LEU A 13 -9.724 21.198 -25.457 1.00 61.33 C ATOM 188 CG LEU A 13 -9.892 22.603 -24.880 1.00 4.53 C ATOM 189 CD1 LEU A 13 -8.560 23.339 -24.869 1.00 74.43 C ATOM 190 CD2 LEU A 13 -10.929 23.386 -25.672 1.00 63.54 C ATOM 0 H LEU A 13 -7.498 20.942 -26.490 1.00 12.54 H new ATOM 0 HA LEU A 13 -8.336 20.775 -23.871 1.00 45.52 H new ATOM 0 HB2 LEU A 13 -9.520 21.287 -26.524 1.00 61.33 H new ATOM 0 HB3 LEU A 13 -10.672 20.670 -25.357 1.00 61.33 H new ATOM 0 HG LEU A 13 -10.243 22.512 -23.852 1.00 4.53 H new ATOM 0 HD11 LEU A 13 -8.699 24.338 -24.455 1.00 74.43 H new ATOM 0 HD12 LEU A 13 -7.845 22.789 -24.257 1.00 74.43 H new ATOM 0 HD13 LEU A 13 -8.180 23.419 -25.887 1.00 74.43 H new ATOM 0 HD21 LEU A 13 -11.035 24.384 -25.246 1.00 63.54 H new ATOM 0 HD22 LEU A 13 -10.609 23.467 -26.711 1.00 63.54 H new ATOM 0 HD23 LEU A 13 -11.888 22.869 -25.627 1.00 63.54 H new ATOM 202 N PRO A 14 -9.955 18.779 -23.513 1.00 20.34 N ATOM 203 CA PRO A 14 -10.540 17.487 -23.140 1.00 1.33 C ATOM 204 C PRO A 14 -11.599 17.022 -24.134 1.00 24.25 C ATOM 205 O PRO A 14 -12.076 15.890 -24.061 1.00 54.01 O ATOM 206 CB PRO A 14 -11.174 17.766 -21.775 1.00 23.15 C ATOM 207 CG PRO A 14 -11.453 19.229 -21.778 1.00 41.21 C ATOM 208 CD PRO A 14 -10.358 19.858 -22.595 1.00 73.33 C ATOM 0 HA PRO A 14 -9.795 16.691 -23.125 1.00 1.33 H new ATOM 0 HB2 PRO A 14 -12.089 17.189 -21.638 1.00 23.15 H new ATOM 0 HB3 PRO A 14 -10.500 17.493 -20.963 1.00 23.15 H new ATOM 0 HG2 PRO A 14 -12.432 19.439 -22.210 1.00 41.21 H new ATOM 0 HG3 PRO A 14 -11.460 19.627 -20.763 1.00 41.21 H new ATOM 0 HD2 PRO A 14 -10.714 20.735 -23.137 1.00 73.33 H new ATOM 0 HD3 PRO A 14 -9.527 20.185 -21.970 1.00 73.33 H new ATOM 216 N ALA A 15 -11.960 17.902 -25.061 1.00 74.13 N ATOM 217 CA ALA A 15 -12.961 17.580 -26.071 1.00 62.42 C ATOM 218 C ALA A 15 -12.394 16.631 -27.122 1.00 34.53 C ATOM 219 O ALA A 15 -13.094 15.746 -27.617 1.00 1.11 O ATOM 220 CB ALA A 15 -13.476 18.851 -26.729 1.00 4.42 C ATOM 0 H ALA A 15 -11.575 18.844 -25.134 1.00 74.13 H new ATOM 0 HA ALA A 15 -13.792 17.078 -25.576 1.00 62.42 H new ATOM 0 HB1 ALA A 15 -14.223 18.595 -27.481 1.00 4.42 H new ATOM 0 HB2 ALA A 15 -13.927 19.494 -25.974 1.00 4.42 H new ATOM 0 HB3 ALA A 15 -12.648 19.376 -27.205 1.00 4.42 H new ATOM 226 N THR A 16 -11.122 16.820 -27.459 1.00 74.33 N ATOM 227 CA THR A 16 -10.463 15.982 -28.453 1.00 24.24 C ATOM 228 C THR A 16 -9.047 15.624 -28.016 1.00 65.35 C ATOM 229 O THR A 16 -8.173 15.380 -28.849 1.00 74.25 O ATOM 230 CB THR A 16 -10.404 16.678 -29.825 1.00 52.04 C ATOM 231 OG1 THR A 16 -11.339 17.762 -29.865 1.00 71.12 O ATOM 232 CG2 THR A 16 -10.712 15.695 -30.944 1.00 72.44 C ATOM 0 H THR A 16 -10.528 17.546 -27.058 1.00 74.33 H new ATOM 0 HA THR A 16 -11.055 15.071 -28.542 1.00 24.24 H new ATOM 0 HB THR A 16 -9.395 17.064 -29.969 1.00 52.04 H new ATOM 0 HG1 THR A 16 -11.294 18.201 -30.740 1.00 71.12 H new ATOM 0 HG21 THR A 16 -10.664 16.210 -31.904 1.00 72.44 H new ATOM 0 HG22 THR A 16 -9.981 14.886 -30.929 1.00 72.44 H new ATOM 0 HG23 THR A 16 -11.711 15.284 -30.802 1.00 72.44 H new ATOM 240 N ARG A 17 -8.826 15.593 -26.706 1.00 43.13 N ATOM 241 CA ARG A 17 -7.514 15.265 -26.160 1.00 35.10 C ATOM 242 C ARG A 17 -6.992 13.958 -26.749 1.00 43.01 C ATOM 243 O ARG A 17 -7.755 13.161 -27.294 1.00 34.11 O ATOM 244 CB ARG A 17 -7.586 15.157 -24.636 1.00 0.13 C ATOM 245 CG ARG A 17 -8.267 13.890 -24.146 1.00 73.30 C ATOM 246 CD ARG A 17 -9.219 14.178 -22.996 1.00 32.24 C ATOM 247 NE ARG A 17 -8.564 14.907 -21.913 1.00 33.12 N ATOM 248 CZ ARG A 17 -9.107 15.085 -20.714 1.00 1.25 C ATOM 249 NH1 ARG A 17 -10.307 14.590 -20.445 1.00 22.52 N ATOM 250 NH2 ARG A 17 -8.449 15.760 -19.780 1.00 4.31 N ATOM 0 H ARG A 17 -9.538 15.791 -26.003 1.00 43.13 H new ATOM 0 HA ARG A 17 -6.825 16.066 -26.429 1.00 35.10 H new ATOM 0 HB2 ARG A 17 -6.575 15.196 -24.229 1.00 0.13 H new ATOM 0 HB3 ARG A 17 -8.121 16.022 -24.244 1.00 0.13 H new ATOM 0 HG2 ARG A 17 -8.816 13.430 -24.968 1.00 73.30 H new ATOM 0 HG3 ARG A 17 -7.513 13.172 -23.824 1.00 73.30 H new ATOM 0 HD2 ARG A 17 -10.066 14.758 -23.363 1.00 32.24 H new ATOM 0 HD3 ARG A 17 -9.618 13.239 -22.612 1.00 32.24 H new ATOM 0 HE ARG A 17 -7.639 15.301 -22.087 1.00 33.12 H new ATOM 0 HH11 ARG A 17 -10.816 14.070 -21.160 1.00 22.52 H new ATOM 0 HH12 ARG A 17 -10.721 14.729 -19.523 1.00 22.52 H new ATOM 0 HH21 ARG A 17 -7.525 16.143 -19.983 1.00 4.31 H new ATOM 0 HH22 ARG A 17 -8.867 15.896 -18.860 1.00 4.31 H new ATOM 264 N VAL A 18 -5.684 13.745 -26.636 1.00 54.13 N ATOM 265 CA VAL A 18 -5.059 12.535 -27.157 1.00 11.31 C ATOM 266 C VAL A 18 -3.920 12.073 -26.255 1.00 14.25 C ATOM 267 O VAL A 18 -2.908 12.760 -26.113 1.00 64.13 O ATOM 268 CB VAL A 18 -4.515 12.753 -28.581 1.00 43.11 C ATOM 269 CG1 VAL A 18 -3.841 11.490 -29.095 1.00 32.44 C ATOM 270 CG2 VAL A 18 -5.632 13.190 -29.517 1.00 23.30 C ATOM 0 H VAL A 18 -5.037 14.395 -26.188 1.00 54.13 H new ATOM 0 HA VAL A 18 -5.831 11.766 -27.185 1.00 11.31 H new ATOM 0 HB VAL A 18 -3.768 13.546 -28.548 1.00 43.11 H new ATOM 0 HG11 VAL A 18 -3.463 11.664 -30.103 1.00 32.44 H new ATOM 0 HG12 VAL A 18 -3.013 11.226 -28.437 1.00 32.44 H new ATOM 0 HG13 VAL A 18 -4.563 10.674 -29.114 1.00 32.44 H new ATOM 0 HG21 VAL A 18 -5.230 13.339 -30.519 1.00 23.30 H new ATOM 0 HG22 VAL A 18 -6.404 12.421 -29.547 1.00 23.30 H new ATOM 0 HG23 VAL A 18 -6.064 14.123 -29.157 1.00 23.30 H new ATOM 280 N LEU A 19 -4.092 10.905 -25.646 1.00 14.24 N ATOM 281 CA LEU A 19 -3.078 10.349 -24.756 1.00 55.50 C ATOM 282 C LEU A 19 -1.828 9.955 -25.535 1.00 61.21 C ATOM 283 O LEU A 19 -1.916 9.412 -26.637 1.00 45.14 O ATOM 284 CB LEU A 19 -3.635 9.134 -24.013 1.00 21.14 C ATOM 285 CG LEU A 19 -2.896 8.732 -22.736 1.00 22.22 C ATOM 286 CD1 LEU A 19 -3.839 8.028 -21.773 1.00 23.35 C ATOM 287 CD2 LEU A 19 -1.706 7.843 -23.066 1.00 21.40 C ATOM 0 H LEU A 19 -4.924 10.324 -25.752 1.00 14.24 H new ATOM 0 HA LEU A 19 -2.805 11.116 -24.031 1.00 55.50 H new ATOM 0 HB2 LEU A 19 -4.676 9.334 -23.759 1.00 21.14 H new ATOM 0 HB3 LEU A 19 -3.631 8.283 -24.694 1.00 21.14 H new ATOM 0 HG LEU A 19 -2.525 9.636 -22.253 1.00 22.22 H new ATOM 0 HD11 LEU A 19 -3.296 7.749 -20.870 1.00 23.35 H new ATOM 0 HD12 LEU A 19 -4.658 8.698 -21.511 1.00 23.35 H new ATOM 0 HD13 LEU A 19 -4.240 7.132 -22.246 1.00 23.35 H new ATOM 0 HD21 LEU A 19 -1.192 7.567 -22.145 1.00 21.40 H new ATOM 0 HD22 LEU A 19 -2.054 6.942 -23.572 1.00 21.40 H new ATOM 0 HD23 LEU A 19 -1.019 8.382 -23.718 1.00 21.40 H new ATOM 299 N LEU A 20 -0.665 10.229 -24.955 1.00 22.33 N ATOM 300 CA LEU A 20 0.605 9.900 -25.593 1.00 40.23 C ATOM 301 C LEU A 20 1.013 8.463 -25.286 1.00 62.12 C ATOM 302 O LEU A 20 1.049 7.614 -26.176 1.00 72.13 O ATOM 303 CB LEU A 20 1.698 10.864 -25.126 1.00 74.42 C ATOM 304 CG LEU A 20 1.442 12.348 -25.392 1.00 24.41 C ATOM 305 CD1 LEU A 20 2.412 13.207 -24.596 1.00 21.13 C ATOM 306 CD2 LEU A 20 1.556 12.650 -26.879 1.00 11.31 C ATOM 0 H LEU A 20 -0.575 10.678 -24.044 1.00 22.33 H new ATOM 0 HA LEU A 20 0.478 9.999 -26.671 1.00 40.23 H new ATOM 0 HB2 LEU A 20 1.842 10.727 -24.054 1.00 74.42 H new ATOM 0 HB3 LEU A 20 2.633 10.584 -25.611 1.00 74.42 H new ATOM 0 HG LEU A 20 0.428 12.586 -25.070 1.00 24.41 H new ATOM 0 HD11 LEU A 20 2.215 14.260 -24.798 1.00 21.13 H new ATOM 0 HD12 LEU A 20 2.283 13.011 -23.532 1.00 21.13 H new ATOM 0 HD13 LEU A 20 3.434 12.967 -24.887 1.00 21.13 H new ATOM 0 HD21 LEU A 20 1.371 13.710 -27.050 1.00 11.31 H new ATOM 0 HD22 LEU A 20 2.557 12.396 -27.226 1.00 11.31 H new ATOM 0 HD23 LEU A 20 0.821 12.060 -27.427 1.00 11.31 H new ATOM 318 N MET A 21 1.318 8.198 -24.020 1.00 62.52 N ATOM 319 CA MET A 21 1.720 6.862 -23.595 1.00 63.34 C ATOM 320 C MET A 21 1.993 6.828 -22.095 1.00 23.50 C ATOM 321 O MET A 21 2.272 7.858 -21.481 1.00 51.15 O ATOM 322 CB MET A 21 2.965 6.413 -24.362 1.00 65.55 C ATOM 323 CG MET A 21 2.737 5.181 -25.224 1.00 23.14 C ATOM 324 SD MET A 21 4.224 4.662 -26.102 1.00 3.22 S ATOM 325 CE MET A 21 4.074 2.880 -25.998 1.00 43.45 C ATOM 0 H MET A 21 1.295 8.890 -23.271 1.00 62.52 H new ATOM 0 HA MET A 21 0.901 6.177 -23.813 1.00 63.34 H new ATOM 0 HB2 MET A 21 3.306 7.232 -24.996 1.00 65.55 H new ATOM 0 HB3 MET A 21 3.765 6.206 -23.651 1.00 65.55 H new ATOM 0 HG2 MET A 21 2.387 4.362 -24.595 1.00 23.14 H new ATOM 0 HG3 MET A 21 1.947 5.389 -25.946 1.00 23.14 H new ATOM 0 HE1 MET A 21 4.923 2.414 -26.498 1.00 43.45 H new ATOM 0 HE2 MET A 21 4.058 2.577 -24.951 1.00 43.45 H new ATOM 0 HE3 MET A 21 3.150 2.564 -26.482 1.00 43.45 H new ATOM 335 N TYR A 22 1.911 5.638 -21.510 1.00 63.43 N ATOM 336 CA TYR A 22 2.147 5.470 -20.081 1.00 51.42 C ATOM 337 C TYR A 22 3.634 5.292 -19.791 1.00 41.24 C ATOM 338 O TYR A 22 4.339 4.587 -20.513 1.00 22.40 O ATOM 339 CB TYR A 22 1.365 4.267 -19.551 1.00 51.34 C ATOM 340 CG TYR A 22 0.014 4.629 -18.976 1.00 62.30 C ATOM 341 CD1 TYR A 22 -0.819 5.533 -19.623 1.00 32.32 C ATOM 342 CD2 TYR A 22 -0.429 4.065 -17.786 1.00 1.13 C ATOM 343 CE1 TYR A 22 -2.054 5.866 -19.100 1.00 43.32 C ATOM 344 CE2 TYR A 22 -1.663 4.392 -17.256 1.00 65.45 C ATOM 345 CZ TYR A 22 -2.471 5.293 -17.917 1.00 40.01 C ATOM 346 OH TYR A 22 -3.701 5.622 -17.394 1.00 24.40 O ATOM 0 H TYR A 22 1.683 4.775 -22.004 1.00 63.43 H new ATOM 0 HA TYR A 22 1.802 6.371 -19.574 1.00 51.42 H new ATOM 0 HB2 TYR A 22 1.226 3.550 -20.360 1.00 51.34 H new ATOM 0 HB3 TYR A 22 1.956 3.770 -18.782 1.00 51.34 H new ATOM 0 HD1 TYR A 22 -0.496 5.983 -20.550 1.00 32.32 H new ATOM 0 HD2 TYR A 22 0.202 3.359 -17.266 1.00 1.13 H new ATOM 0 HE1 TYR A 22 -2.689 6.571 -19.615 1.00 43.32 H new ATOM 0 HE2 TYR A 22 -1.992 3.945 -16.330 1.00 65.45 H new ATOM 0 HH TYR A 22 -3.843 5.131 -16.558 1.00 24.40 H new ATOM 356 N VAL A 23 4.105 5.937 -18.729 1.00 13.25 N ATOM 357 CA VAL A 23 5.507 5.850 -18.340 1.00 63.33 C ATOM 358 C VAL A 23 5.662 5.156 -16.991 1.00 40.34 C ATOM 359 O VAL A 23 5.245 5.683 -15.960 1.00 35.21 O ATOM 360 CB VAL A 23 6.157 7.244 -18.266 1.00 1.32 C ATOM 361 CG1 VAL A 23 7.636 7.127 -17.932 1.00 45.11 C ATOM 362 CG2 VAL A 23 5.955 7.996 -19.573 1.00 13.35 C ATOM 0 H VAL A 23 3.535 6.526 -18.122 1.00 13.25 H new ATOM 0 HA VAL A 23 6.012 5.263 -19.107 1.00 63.33 H new ATOM 0 HB VAL A 23 5.673 7.809 -17.469 1.00 1.32 H new ATOM 0 HG11 VAL A 23 8.078 8.122 -17.884 1.00 45.11 H new ATOM 0 HG12 VAL A 23 7.753 6.631 -16.968 1.00 45.11 H new ATOM 0 HG13 VAL A 23 8.138 6.544 -18.704 1.00 45.11 H new ATOM 0 HG21 VAL A 23 6.421 8.979 -19.503 1.00 13.35 H new ATOM 0 HG22 VAL A 23 6.411 7.436 -20.389 1.00 13.35 H new ATOM 0 HG23 VAL A 23 4.888 8.113 -19.765 1.00 13.35 H new ATOM 372 N ARG A 24 6.265 3.972 -17.007 1.00 2.22 N ATOM 373 CA ARG A 24 6.475 3.206 -15.785 1.00 33.45 C ATOM 374 C ARG A 24 7.483 3.899 -14.874 1.00 5.52 C ATOM 375 O ARG A 24 8.527 4.368 -15.330 1.00 53.12 O ATOM 376 CB ARG A 24 6.960 1.794 -16.119 1.00 44.14 C ATOM 377 CG ARG A 24 6.186 1.136 -17.250 1.00 24.12 C ATOM 378 CD ARG A 24 6.962 1.183 -18.557 1.00 60.40 C ATOM 379 NE ARG A 24 6.092 1.447 -19.700 1.00 65.12 N ATOM 380 CZ ARG A 24 6.542 1.662 -20.931 1.00 43.44 C ATOM 381 NH1 ARG A 24 7.845 1.645 -21.177 1.00 60.54 N ATOM 382 NH2 ARG A 24 5.688 1.896 -21.920 1.00 23.13 N ATOM 0 H ARG A 24 6.617 3.523 -17.852 1.00 2.22 H new ATOM 0 HA ARG A 24 5.522 3.141 -15.260 1.00 33.45 H new ATOM 0 HB2 ARG A 24 8.015 1.836 -16.388 1.00 44.14 H new ATOM 0 HB3 ARG A 24 6.883 1.172 -15.227 1.00 44.14 H new ATOM 0 HG2 ARG A 24 5.971 0.099 -16.990 1.00 24.12 H new ATOM 0 HG3 ARG A 24 5.227 1.638 -17.377 1.00 24.12 H new ATOM 0 HD2 ARG A 24 7.727 1.957 -18.497 1.00 60.40 H new ATOM 0 HD3 ARG A 24 7.479 0.235 -18.706 1.00 60.40 H new ATOM 0 HE ARG A 24 5.084 1.467 -19.544 1.00 65.12 H new ATOM 0 HH11 ARG A 24 8.505 1.466 -20.420 1.00 60.54 H new ATOM 0 HH12 ARG A 24 8.188 1.810 -22.123 1.00 60.54 H new ATOM 0 HH21 ARG A 24 4.685 1.911 -21.735 1.00 23.13 H new ATOM 0 HH22 ARG A 24 6.035 2.061 -22.865 1.00 23.13 H new ATOM 396 N ILE A 25 7.165 3.961 -13.585 1.00 53.54 N ATOM 397 CA ILE A 25 8.043 4.597 -12.611 1.00 41.44 C ATOM 398 C ILE A 25 9.124 3.633 -12.134 1.00 13.22 C ATOM 399 O ILE A 25 9.281 3.405 -10.935 1.00 61.03 O ATOM 400 CB ILE A 25 7.254 5.111 -11.393 1.00 30.15 C ATOM 401 CG1 ILE A 25 5.993 5.848 -11.848 1.00 34.33 C ATOM 402 CG2 ILE A 25 8.127 6.020 -10.541 1.00 42.42 C ATOM 403 CD1 ILE A 25 5.154 6.373 -10.704 1.00 33.12 C ATOM 0 H ILE A 25 6.305 3.578 -13.191 1.00 53.54 H new ATOM 0 HA ILE A 25 8.511 5.444 -13.113 1.00 41.44 H new ATOM 0 HB ILE A 25 6.954 4.256 -10.787 1.00 30.15 H new ATOM 0 HG12 ILE A 25 6.280 6.681 -12.489 1.00 34.33 H new ATOM 0 HG13 ILE A 25 5.387 5.174 -12.453 1.00 34.33 H new ATOM 0 HG21 ILE A 25 7.555 6.375 -9.684 1.00 42.42 H new ATOM 0 HG22 ILE A 25 8.998 5.465 -10.191 1.00 42.42 H new ATOM 0 HG23 ILE A 25 8.455 6.872 -11.136 1.00 42.42 H new ATOM 0 HD11 ILE A 25 4.277 6.884 -11.101 1.00 33.12 H new ATOM 0 HD12 ILE A 25 4.836 5.542 -10.075 1.00 33.12 H new ATOM 0 HD13 ILE A 25 5.744 7.072 -10.111 1.00 33.12 H new ATOM 415 N GLY A 26 9.868 3.071 -13.081 1.00 60.42 N ATOM 416 CA GLY A 26 10.926 2.139 -12.738 1.00 21.35 C ATOM 417 C GLY A 26 12.258 2.521 -13.353 1.00 33.13 C ATOM 418 O GLY A 26 13.314 2.277 -12.768 1.00 51.20 O ATOM 0 H GLY A 26 9.757 3.244 -14.080 1.00 60.42 H new ATOM 0 HA2 GLY A 26 11.029 2.095 -11.654 1.00 21.35 H new ATOM 0 HA3 GLY A 26 10.648 1.140 -13.073 1.00 21.35 H new ATOM 422 N THR A 27 12.210 3.121 -14.538 1.00 71.02 N ATOM 423 CA THR A 27 13.421 3.535 -15.235 1.00 23.13 C ATOM 424 C THR A 27 13.179 4.794 -16.059 1.00 14.00 C ATOM 425 O THR A 27 12.047 5.268 -16.171 1.00 22.42 O ATOM 426 CB THR A 27 13.945 2.421 -16.161 1.00 51.43 C ATOM 427 OG1 THR A 27 15.240 2.771 -16.664 1.00 34.54 O ATOM 428 CG2 THR A 27 12.990 2.190 -17.323 1.00 1.42 C ATOM 0 H THR A 27 11.345 3.331 -15.035 1.00 71.02 H new ATOM 0 HA THR A 27 14.169 3.744 -14.471 1.00 23.13 H new ATOM 0 HB THR A 27 14.017 1.501 -15.581 1.00 51.43 H new ATOM 0 HG1 THR A 27 15.567 2.057 -17.250 1.00 34.54 H new ATOM 0 HG21 THR A 27 13.381 1.399 -17.963 1.00 1.42 H new ATOM 0 HG22 THR A 27 12.013 1.896 -16.938 1.00 1.42 H new ATOM 0 HG23 THR A 27 12.891 3.109 -17.901 1.00 1.42 H new ATOM 436 N THR A 28 14.248 5.333 -16.636 1.00 51.24 N ATOM 437 CA THR A 28 14.151 6.538 -17.451 1.00 11.14 C ATOM 438 C THR A 28 14.060 6.194 -18.933 1.00 2.21 C ATOM 439 O THR A 28 14.917 5.493 -19.470 1.00 75.35 O ATOM 440 CB THR A 28 15.358 7.468 -17.224 1.00 31.11 C ATOM 441 OG1 THR A 28 16.577 6.726 -17.341 1.00 71.20 O ATOM 442 CG2 THR A 28 15.287 8.123 -15.853 1.00 34.55 C ATOM 0 H THR A 28 15.191 4.954 -16.554 1.00 51.24 H new ATOM 0 HA THR A 28 13.241 7.054 -17.145 1.00 11.14 H new ATOM 0 HB THR A 28 15.334 8.249 -17.984 1.00 31.11 H new ATOM 0 HG1 THR A 28 16.495 6.075 -18.069 1.00 71.20 H new ATOM 0 HG21 THR A 28 16.150 8.775 -15.716 1.00 34.55 H new ATOM 0 HG22 THR A 28 14.372 8.711 -15.778 1.00 34.55 H new ATOM 0 HG23 THR A 28 15.288 7.353 -15.081 1.00 34.55 H new ATOM 450 N ALA A 29 13.018 6.693 -19.589 1.00 15.24 N ATOM 451 CA ALA A 29 12.817 6.441 -21.010 1.00 70.31 C ATOM 452 C ALA A 29 12.491 7.730 -21.756 1.00 44.22 C ATOM 453 O ALA A 29 12.325 8.788 -21.147 1.00 61.43 O ATOM 454 CB ALA A 29 11.710 5.417 -21.213 1.00 54.22 C ATOM 0 H ALA A 29 12.299 7.275 -19.158 1.00 15.24 H new ATOM 0 HA ALA A 29 13.746 6.042 -21.417 1.00 70.31 H new ATOM 0 HB1 ALA A 29 11.571 5.238 -22.279 1.00 54.22 H new ATOM 0 HB2 ALA A 29 11.983 4.483 -20.721 1.00 54.22 H new ATOM 0 HB3 ALA A 29 10.782 5.795 -20.784 1.00 54.22 H new ATOM 460 N THR A 30 12.402 7.637 -23.079 1.00 62.44 N ATOM 461 CA THR A 30 12.099 8.796 -23.909 1.00 35.22 C ATOM 462 C THR A 30 10.747 8.641 -24.597 1.00 62.40 C ATOM 463 O THR A 30 10.343 7.532 -24.949 1.00 64.03 O ATOM 464 CB THR A 30 13.184 9.021 -24.979 1.00 13.15 C ATOM 465 OG1 THR A 30 14.332 8.217 -24.688 1.00 5.12 O ATOM 466 CG2 THR A 30 13.587 10.487 -25.040 1.00 73.43 C ATOM 0 H THR A 30 12.536 6.770 -23.599 1.00 62.44 H new ATOM 0 HA THR A 30 12.069 9.660 -23.246 1.00 35.22 H new ATOM 0 HB THR A 30 12.775 8.732 -25.947 1.00 13.15 H new ATOM 0 HG1 THR A 30 15.017 8.364 -25.373 1.00 5.12 H new ATOM 0 HG21 THR A 30 14.354 10.622 -25.802 1.00 73.43 H new ATOM 0 HG22 THR A 30 12.716 11.094 -25.290 1.00 73.43 H new ATOM 0 HG23 THR A 30 13.979 10.797 -24.072 1.00 73.43 H new ATOM 474 N ILE A 31 10.053 9.758 -24.786 1.00 61.31 N ATOM 475 CA ILE A 31 8.748 9.745 -25.434 1.00 74.22 C ATOM 476 C ILE A 31 8.809 10.404 -26.808 1.00 64.41 C ATOM 477 O ILE A 31 9.558 11.358 -27.019 1.00 3.32 O ATOM 478 CB ILE A 31 7.688 10.464 -24.580 1.00 14.54 C ATOM 479 CG1 ILE A 31 7.632 9.855 -23.177 1.00 74.44 C ATOM 480 CG2 ILE A 31 6.325 10.388 -25.251 1.00 74.02 C ATOM 481 CD1 ILE A 31 6.772 10.639 -22.211 1.00 43.40 C ATOM 0 H ILE A 31 10.373 10.683 -24.500 1.00 61.31 H new ATOM 0 HA ILE A 31 8.463 8.699 -25.548 1.00 74.22 H new ATOM 0 HB ILE A 31 7.968 11.514 -24.489 1.00 14.54 H new ATOM 0 HG12 ILE A 31 7.250 8.837 -23.247 1.00 74.44 H new ATOM 0 HG13 ILE A 31 8.644 9.789 -22.778 1.00 74.44 H new ATOM 0 HG21 ILE A 31 5.587 10.901 -24.635 1.00 74.02 H new ATOM 0 HG22 ILE A 31 6.374 10.865 -26.230 1.00 74.02 H new ATOM 0 HG23 ILE A 31 6.036 9.344 -25.370 1.00 74.02 H new ATOM 0 HD11 ILE A 31 6.779 10.149 -21.237 1.00 43.40 H new ATOM 0 HD12 ILE A 31 7.166 11.650 -22.111 1.00 43.40 H new ATOM 0 HD13 ILE A 31 5.750 10.683 -22.587 1.00 43.40 H new ATOM 493 N THR A 32 8.015 9.889 -27.742 1.00 22.43 N ATOM 494 CA THR A 32 7.979 10.427 -29.096 1.00 35.43 C ATOM 495 C THR A 32 6.649 11.118 -29.377 1.00 5.33 C ATOM 496 O THR A 32 5.597 10.480 -29.390 1.00 4.04 O ATOM 497 CB THR A 32 8.201 9.322 -30.145 1.00 62.55 C ATOM 498 OG1 THR A 32 8.876 8.208 -29.549 1.00 50.22 O ATOM 499 CG2 THR A 32 9.016 9.846 -31.318 1.00 73.35 C ATOM 0 H THR A 32 7.388 9.100 -27.585 1.00 22.43 H new ATOM 0 HA THR A 32 8.787 11.155 -29.169 1.00 35.43 H new ATOM 0 HB THR A 32 7.227 9.001 -30.514 1.00 62.55 H new ATOM 0 HG1 THR A 32 9.012 7.509 -30.223 1.00 50.22 H new ATOM 0 HG21 THR A 32 9.160 9.048 -32.046 1.00 73.35 H new ATOM 0 HG22 THR A 32 8.486 10.675 -31.788 1.00 73.35 H new ATOM 0 HG23 THR A 32 9.986 10.191 -30.961 1.00 73.35 H new ATOM 507 N ALA A 33 6.705 12.427 -29.602 1.00 72.20 N ATOM 508 CA ALA A 33 5.505 13.204 -29.886 1.00 0.52 C ATOM 509 C ALA A 33 5.829 14.419 -30.750 1.00 23.44 C ATOM 510 O ALA A 33 6.859 15.067 -30.564 1.00 64.33 O ATOM 511 CB ALA A 33 4.839 13.640 -28.589 1.00 23.23 C ATOM 0 H ALA A 33 7.568 12.971 -29.593 1.00 72.20 H new ATOM 0 HA ALA A 33 4.814 12.569 -30.441 1.00 0.52 H new ATOM 0 HB1 ALA A 33 3.944 14.219 -28.816 1.00 23.23 H new ATOM 0 HB2 ALA A 33 4.564 12.760 -28.008 1.00 23.23 H new ATOM 0 HB3 ALA A 33 5.532 14.253 -28.013 1.00 23.23 H new ATOM 517 N ARG A 34 4.944 14.720 -31.694 1.00 3.41 N ATOM 518 CA ARG A 34 5.138 15.856 -32.588 1.00 31.13 C ATOM 519 C ARG A 34 6.513 15.800 -33.247 1.00 11.50 C ATOM 520 O ARG A 34 7.208 16.811 -33.343 1.00 11.11 O ATOM 521 CB ARG A 34 4.982 17.169 -31.819 1.00 55.44 C ATOM 522 CG ARG A 34 3.537 17.522 -31.504 1.00 2.05 C ATOM 523 CD ARG A 34 3.348 19.025 -31.367 1.00 34.41 C ATOM 524 NE ARG A 34 2.501 19.568 -32.426 1.00 2.03 N ATOM 525 CZ ARG A 34 1.994 20.795 -32.404 1.00 13.52 C ATOM 526 NH1 ARG A 34 2.246 21.603 -31.383 1.00 24.32 N ATOM 527 NH2 ARG A 34 1.232 21.218 -33.405 1.00 22.10 N ATOM 0 H ARG A 34 4.086 14.194 -31.860 1.00 3.41 H new ATOM 0 HA ARG A 34 4.378 15.807 -33.368 1.00 31.13 H new ATOM 0 HB2 ARG A 34 5.543 17.103 -30.887 1.00 55.44 H new ATOM 0 HB3 ARG A 34 5.426 17.976 -32.401 1.00 55.44 H new ATOM 0 HG2 ARG A 34 2.888 17.143 -32.294 1.00 2.05 H new ATOM 0 HG3 ARG A 34 3.234 17.030 -30.579 1.00 2.05 H new ATOM 0 HD2 ARG A 34 2.903 19.248 -30.397 1.00 34.41 H new ATOM 0 HD3 ARG A 34 4.320 19.517 -31.392 1.00 34.41 H new ATOM 0 HE ARG A 34 2.287 18.972 -33.226 1.00 2.03 H new ATOM 0 HH11 ARG A 34 2.831 21.283 -30.611 1.00 24.32 H new ATOM 0 HH12 ARG A 34 1.855 22.545 -31.369 1.00 24.32 H new ATOM 0 HH21 ARG A 34 1.035 20.600 -34.192 1.00 22.10 H new ATOM 0 HH22 ARG A 34 0.843 22.161 -33.387 1.00 22.10 H new ATOM 541 N GLY A 35 6.899 14.611 -33.700 1.00 2.43 N ATOM 542 CA GLY A 35 8.189 14.446 -34.343 1.00 63.03 C ATOM 543 C GLY A 35 9.338 14.896 -33.463 1.00 43.21 C ATOM 544 O GLY A 35 10.418 15.223 -33.958 1.00 31.44 O ATOM 0 H GLY A 35 6.341 13.760 -33.633 1.00 2.43 H new ATOM 0 HA2 GLY A 35 8.328 13.398 -34.608 1.00 63.03 H new ATOM 0 HA3 GLY A 35 8.203 15.015 -35.273 1.00 63.03 H new ATOM 548 N HIS A 36 9.107 14.916 -32.154 1.00 72.23 N ATOM 549 CA HIS A 36 10.131 15.331 -31.203 1.00 24.23 C ATOM 550 C HIS A 36 10.278 14.307 -30.081 1.00 72.01 C ATOM 551 O HIS A 36 9.314 13.639 -29.709 1.00 12.01 O ATOM 552 CB HIS A 36 9.788 16.701 -30.617 1.00 24.21 C ATOM 553 CG HIS A 36 10.984 17.578 -30.405 1.00 32.11 C ATOM 554 ND1 HIS A 36 12.018 17.248 -29.555 1.00 31.05 N ATOM 555 CD2 HIS A 36 11.307 18.778 -30.940 1.00 1.41 C ATOM 556 CE1 HIS A 36 12.925 18.208 -29.574 1.00 53.44 C ATOM 557 NE2 HIS A 36 12.518 19.149 -30.408 1.00 35.23 N ATOM 0 H HIS A 36 8.219 14.649 -31.728 1.00 72.23 H new ATOM 0 HA HIS A 36 11.080 15.399 -31.735 1.00 24.23 H new ATOM 0 HB2 HIS A 36 9.090 17.208 -31.283 1.00 24.21 H new ATOM 0 HB3 HIS A 36 9.276 16.562 -29.665 1.00 24.21 H new ATOM 0 HD2 HIS A 36 10.722 19.340 -31.653 1.00 1.41 H new ATOM 0 HE1 HIS A 36 13.843 18.222 -29.005 1.00 53.44 H new ATOM 0 HE2 HIS A 36 13.021 20.010 -30.622 1.00 35.23 H new ATOM 565 N GLU A 37 11.490 14.190 -29.548 1.00 30.50 N ATOM 566 CA GLU A 37 11.762 13.246 -28.470 1.00 75.42 C ATOM 567 C GLU A 37 11.854 13.965 -27.128 1.00 24.14 C ATOM 568 O GLU A 37 12.570 14.957 -26.991 1.00 0.35 O ATOM 569 CB GLU A 37 13.060 12.484 -28.744 1.00 42.33 C ATOM 570 CG GLU A 37 14.286 13.379 -28.818 1.00 62.21 C ATOM 571 CD GLU A 37 15.217 13.000 -29.953 1.00 64.32 C ATOM 572 OE1 GLU A 37 15.551 11.803 -30.073 1.00 25.54 O ATOM 573 OE2 GLU A 37 15.612 13.901 -30.722 1.00 52.24 O ATOM 0 H GLU A 37 12.299 14.736 -29.845 1.00 30.50 H new ATOM 0 HA GLU A 37 10.936 12.536 -28.426 1.00 75.42 H new ATOM 0 HB2 GLU A 37 13.209 11.742 -27.959 1.00 42.33 H new ATOM 0 HB3 GLU A 37 12.961 11.939 -29.683 1.00 42.33 H new ATOM 0 HG2 GLU A 37 13.969 14.414 -28.944 1.00 62.21 H new ATOM 0 HG3 GLU A 37 14.829 13.324 -27.874 1.00 62.21 H new ATOM 580 N PHE A 38 11.125 13.457 -26.139 1.00 41.24 N ATOM 581 CA PHE A 38 11.123 14.051 -24.808 1.00 2.24 C ATOM 582 C PHE A 38 11.512 13.020 -23.752 1.00 14.32 C ATOM 583 O PHE A 38 10.763 12.081 -23.482 1.00 43.50 O ATOM 584 CB PHE A 38 9.744 14.632 -24.487 1.00 23.41 C ATOM 585 CG PHE A 38 9.257 15.619 -25.509 1.00 30.33 C ATOM 586 CD1 PHE A 38 10.067 16.664 -25.923 1.00 61.43 C ATOM 587 CD2 PHE A 38 7.989 15.501 -26.055 1.00 42.41 C ATOM 588 CE1 PHE A 38 9.621 17.574 -26.863 1.00 33.32 C ATOM 589 CE2 PHE A 38 7.537 16.408 -26.995 1.00 45.34 C ATOM 590 CZ PHE A 38 8.355 17.445 -27.400 1.00 51.24 C ATOM 0 H PHE A 38 10.528 12.635 -26.235 1.00 41.24 H new ATOM 0 HA PHE A 38 11.859 14.854 -24.795 1.00 2.24 H new ATOM 0 HB2 PHE A 38 9.024 13.817 -24.409 1.00 23.41 H new ATOM 0 HB3 PHE A 38 9.781 15.119 -23.512 1.00 23.41 H new ATOM 0 HD1 PHE A 38 11.058 16.769 -25.507 1.00 61.43 H new ATOM 0 HD2 PHE A 38 7.346 14.691 -25.743 1.00 42.41 H new ATOM 0 HE1 PHE A 38 10.262 18.385 -27.177 1.00 33.32 H new ATOM 0 HE2 PHE A 38 6.546 16.306 -27.412 1.00 45.34 H new ATOM 0 HZ PHE A 38 8.005 18.154 -28.136 1.00 51.24 H new ATOM 600 N GLU A 39 12.687 13.203 -23.159 1.00 3.32 N ATOM 601 CA GLU A 39 13.176 12.288 -22.134 1.00 13.42 C ATOM 602 C GLU A 39 12.798 12.781 -20.740 1.00 14.01 C ATOM 603 O GLU A 39 13.436 13.680 -20.192 1.00 63.14 O ATOM 604 CB GLU A 39 14.695 12.135 -22.238 1.00 34.32 C ATOM 605 CG GLU A 39 15.190 10.741 -21.892 1.00 24.32 C ATOM 606 CD GLU A 39 16.631 10.514 -22.308 1.00 32.03 C ATOM 607 OE1 GLU A 39 16.854 10.072 -23.454 1.00 40.34 O ATOM 608 OE2 GLU A 39 17.534 10.778 -21.487 1.00 64.42 O ATOM 0 H GLU A 39 13.318 13.976 -23.370 1.00 3.32 H new ATOM 0 HA GLU A 39 12.708 11.317 -22.297 1.00 13.42 H new ATOM 0 HB2 GLU A 39 15.008 12.381 -23.253 1.00 34.32 H new ATOM 0 HB3 GLU A 39 15.171 12.856 -21.573 1.00 34.32 H new ATOM 0 HG2 GLU A 39 15.097 10.582 -20.818 1.00 24.32 H new ATOM 0 HG3 GLU A 39 14.554 10.002 -22.380 1.00 24.32 H new ATOM 615 N VAL A 40 11.754 12.186 -20.171 1.00 72.13 N ATOM 616 CA VAL A 40 11.290 12.563 -18.841 1.00 72.25 C ATOM 617 C VAL A 40 11.826 11.607 -17.781 1.00 54.32 C ATOM 618 O VAL A 40 12.282 10.509 -18.096 1.00 31.20 O ATOM 619 CB VAL A 40 9.751 12.583 -18.769 1.00 24.35 C ATOM 620 CG1 VAL A 40 9.185 13.627 -19.719 1.00 20.41 C ATOM 621 CG2 VAL A 40 9.186 11.205 -19.078 1.00 71.15 C ATOM 0 H VAL A 40 11.214 11.441 -20.611 1.00 72.13 H new ATOM 0 HA VAL A 40 11.668 13.566 -18.645 1.00 72.25 H new ATOM 0 HB VAL A 40 9.455 12.852 -17.755 1.00 24.35 H new ATOM 0 HG11 VAL A 40 8.097 13.626 -19.654 1.00 20.41 H new ATOM 0 HG12 VAL A 40 9.564 14.612 -19.445 1.00 20.41 H new ATOM 0 HG13 VAL A 40 9.488 13.392 -20.740 1.00 20.41 H new ATOM 0 HG21 VAL A 40 8.098 11.237 -19.023 1.00 71.15 H new ATOM 0 HG22 VAL A 40 9.490 10.904 -20.081 1.00 71.15 H new ATOM 0 HG23 VAL A 40 9.565 10.485 -18.352 1.00 71.15 H new ATOM 631 N GLU A 41 11.766 12.034 -16.524 1.00 21.15 N ATOM 632 CA GLU A 41 12.246 11.215 -15.416 1.00 42.24 C ATOM 633 C GLU A 41 11.129 10.950 -14.412 1.00 31.15 C ATOM 634 O GLU A 41 10.475 11.877 -13.935 1.00 2.31 O ATOM 635 CB GLU A 41 13.423 11.901 -14.718 1.00 55.15 C ATOM 636 CG GLU A 41 13.841 11.224 -13.424 1.00 64.35 C ATOM 637 CD GLU A 41 15.335 10.974 -13.354 1.00 23.21 C ATOM 638 OE1 GLU A 41 16.107 11.914 -13.637 1.00 25.21 O ATOM 639 OE2 GLU A 41 15.732 9.839 -13.016 1.00 43.13 O ATOM 0 H GLU A 41 11.390 12.941 -16.247 1.00 21.15 H new ATOM 0 HA GLU A 41 12.580 10.260 -15.822 1.00 42.24 H new ATOM 0 HB2 GLU A 41 14.275 11.924 -15.398 1.00 55.15 H new ATOM 0 HB3 GLU A 41 13.156 12.936 -14.507 1.00 55.15 H new ATOM 0 HG2 GLU A 41 13.540 11.844 -12.580 1.00 64.35 H new ATOM 0 HG3 GLU A 41 13.313 10.276 -13.327 1.00 64.35 H new ATOM 646 N ALA A 42 10.916 9.677 -14.095 1.00 32.10 N ATOM 647 CA ALA A 42 9.879 9.289 -13.146 1.00 63.24 C ATOM 648 C ALA A 42 10.483 8.911 -11.798 1.00 11.52 C ATOM 649 O ALA A 42 11.359 8.050 -11.717 1.00 34.22 O ATOM 650 CB ALA A 42 9.061 8.133 -13.702 1.00 70.15 C ATOM 0 H ALA A 42 11.448 8.897 -14.481 1.00 32.10 H new ATOM 0 HA ALA A 42 9.222 10.145 -12.993 1.00 63.24 H new ATOM 0 HB1 ALA A 42 8.291 7.854 -12.983 1.00 70.15 H new ATOM 0 HB2 ALA A 42 8.591 8.436 -14.638 1.00 70.15 H new ATOM 0 HB3 ALA A 42 9.714 7.280 -13.884 1.00 70.15 H new ATOM 656 N LYS A 43 10.010 9.562 -10.740 1.00 51.33 N ATOM 657 CA LYS A 43 10.502 9.295 -9.394 1.00 50.40 C ATOM 658 C LYS A 43 9.393 8.732 -8.511 1.00 52.50 C ATOM 659 O LYS A 43 9.659 8.022 -7.541 1.00 52.41 O ATOM 660 CB LYS A 43 11.064 10.575 -8.771 1.00 42.22 C ATOM 661 CG LYS A 43 12.555 10.509 -8.486 1.00 53.14 C ATOM 662 CD LYS A 43 12.913 11.258 -7.214 1.00 31.23 C ATOM 663 CE LYS A 43 12.987 12.758 -7.452 1.00 12.33 C ATOM 664 NZ LYS A 43 13.913 13.427 -6.496 1.00 33.42 N ATOM 0 H LYS A 43 9.286 10.279 -10.789 1.00 51.33 H new ATOM 0 HA LYS A 43 11.297 8.553 -9.465 1.00 50.40 H new ATOM 0 HB2 LYS A 43 10.867 11.412 -9.441 1.00 42.22 H new ATOM 0 HB3 LYS A 43 10.534 10.780 -7.841 1.00 42.22 H new ATOM 0 HG2 LYS A 43 12.863 9.467 -8.395 1.00 53.14 H new ATOM 0 HG3 LYS A 43 13.106 10.932 -9.326 1.00 53.14 H new ATOM 0 HD2 LYS A 43 12.170 11.047 -6.445 1.00 31.23 H new ATOM 0 HD3 LYS A 43 13.872 10.901 -6.838 1.00 31.23 H new ATOM 0 HE2 LYS A 43 13.320 12.948 -8.473 1.00 12.33 H new ATOM 0 HE3 LYS A 43 11.991 13.190 -7.356 1.00 12.33 H new ATOM 0 HZ1 LYS A 43 13.935 14.448 -6.691 1.00 33.42 H new ATOM 0 HZ2 LYS A 43 13.582 13.268 -5.523 1.00 33.42 H new ATOM 0 HZ3 LYS A 43 14.869 13.033 -6.605 1.00 33.42 H new ATOM 678 N ASP A 44 8.150 9.053 -8.854 1.00 21.11 N ATOM 679 CA ASP A 44 7.000 8.577 -8.094 1.00 23.24 C ATOM 680 C ASP A 44 5.698 9.087 -8.702 1.00 14.13 C ATOM 681 O ASP A 44 5.693 9.657 -9.792 1.00 71.04 O ATOM 682 CB ASP A 44 7.106 9.024 -6.635 1.00 21.23 C ATOM 683 CG ASP A 44 6.881 7.883 -5.662 1.00 22.01 C ATOM 684 OD1 ASP A 44 7.631 6.886 -5.732 1.00 53.23 O ATOM 685 OD2 ASP A 44 5.956 7.987 -4.830 1.00 3.24 O ATOM 0 H ASP A 44 7.913 9.641 -9.653 1.00 21.11 H new ATOM 0 HA ASP A 44 6.995 7.488 -8.133 1.00 23.24 H new ATOM 0 HB2 ASP A 44 8.091 9.457 -6.461 1.00 21.23 H new ATOM 0 HB3 ASP A 44 6.375 9.810 -6.445 1.00 21.23 H new ATOM 690 N GLN A 45 4.596 8.877 -7.989 1.00 14.30 N ATOM 691 CA GLN A 45 3.287 9.315 -8.460 1.00 71.31 C ATOM 692 C GLN A 45 3.314 10.789 -8.851 1.00 72.40 C ATOM 693 O GLN A 45 2.576 11.220 -9.736 1.00 35.44 O ATOM 694 CB GLN A 45 2.228 9.080 -7.381 1.00 4.41 C ATOM 695 CG GLN A 45 2.595 9.674 -6.030 1.00 70.32 C ATOM 696 CD GLN A 45 1.524 10.601 -5.490 1.00 31.52 C ATOM 697 OE1 GLN A 45 1.732 11.809 -5.376 1.00 21.24 O ATOM 698 NE2 GLN A 45 0.369 10.038 -5.154 1.00 13.41 N ATOM 0 H GLN A 45 4.583 8.407 -7.084 1.00 14.30 H new ATOM 0 HA GLN A 45 3.032 8.729 -9.343 1.00 71.31 H new ATOM 0 HB2 GLN A 45 1.282 9.508 -7.712 1.00 4.41 H new ATOM 0 HB3 GLN A 45 2.069 8.008 -7.266 1.00 4.41 H new ATOM 0 HG2 GLN A 45 2.765 8.867 -5.317 1.00 70.32 H new ATOM 0 HG3 GLN A 45 3.533 10.222 -6.121 1.00 70.32 H new ATOM 0 HE21 GLN A 45 0.240 9.032 -5.265 1.00 13.41 H new ATOM 0 HE22 GLN A 45 -0.389 10.611 -4.785 1.00 13.41 H new ATOM 707 N ASN A 46 4.170 11.557 -8.185 1.00 32.10 N ATOM 708 CA ASN A 46 4.292 12.983 -8.462 1.00 41.45 C ATOM 709 C ASN A 46 5.260 13.232 -9.615 1.00 4.41 C ATOM 710 O ASN A 46 6.445 13.492 -9.400 1.00 71.12 O ATOM 711 CB ASN A 46 4.766 13.728 -7.213 1.00 45.41 C ATOM 712 CG ASN A 46 4.823 15.229 -7.422 1.00 4.43 C ATOM 713 OD1 ASN A 46 3.793 15.902 -7.453 1.00 1.50 O ATOM 714 ND2 ASN A 46 6.032 15.761 -7.566 1.00 13.12 N ATOM 0 H ASN A 46 4.789 11.216 -7.450 1.00 32.10 H new ATOM 0 HA ASN A 46 3.309 13.358 -8.749 1.00 41.45 H new ATOM 0 HB2 ASN A 46 4.095 13.505 -6.384 1.00 45.41 H new ATOM 0 HB3 ASN A 46 5.754 13.365 -6.930 1.00 45.41 H new ATOM 0 HD21 ASN A 46 6.133 16.766 -7.709 1.00 13.12 H new ATOM 0 HD22 ASN A 46 6.859 15.165 -7.533 1.00 13.12 H new ATOM 721 N CYS A 47 4.748 13.152 -10.838 1.00 44.15 N ATOM 722 CA CYS A 47 5.566 13.368 -12.026 1.00 1.51 C ATOM 723 C CYS A 47 5.262 14.725 -12.656 1.00 31.40 C ATOM 724 O CYS A 47 4.101 15.113 -12.791 1.00 5.34 O ATOM 725 CB CYS A 47 5.326 12.254 -13.046 1.00 54.23 C ATOM 726 SG CYS A 47 6.227 10.712 -12.689 1.00 61.15 S ATOM 0 H CYS A 47 3.770 12.939 -11.033 1.00 44.15 H new ATOM 0 HA CYS A 47 6.613 13.354 -11.723 1.00 1.51 H new ATOM 0 HB2 CYS A 47 4.259 12.037 -13.087 1.00 54.23 H new ATOM 0 HB3 CYS A 47 5.617 12.612 -14.034 1.00 54.23 H new ATOM 731 N LYS A 48 6.313 15.441 -13.041 1.00 32.20 N ATOM 732 CA LYS A 48 6.160 16.753 -13.659 1.00 24.25 C ATOM 733 C LYS A 48 6.561 16.712 -15.130 1.00 31.42 C ATOM 734 O LYS A 48 6.787 15.640 -15.692 1.00 72.02 O ATOM 735 CB LYS A 48 7.007 17.790 -12.917 1.00 64.33 C ATOM 736 CG LYS A 48 8.501 17.631 -13.146 1.00 54.33 C ATOM 737 CD LYS A 48 9.306 18.506 -12.200 1.00 33.21 C ATOM 738 CE LYS A 48 9.705 17.747 -10.943 1.00 55.13 C ATOM 739 NZ LYS A 48 10.486 18.600 -10.005 1.00 72.31 N ATOM 0 H LYS A 48 7.280 15.135 -12.936 1.00 32.20 H new ATOM 0 HA LYS A 48 5.110 17.037 -13.595 1.00 24.25 H new ATOM 0 HB2 LYS A 48 6.704 18.788 -13.233 1.00 64.33 H new ATOM 0 HB3 LYS A 48 6.802 17.718 -11.849 1.00 64.33 H new ATOM 0 HG2 LYS A 48 8.782 16.587 -13.006 1.00 54.33 H new ATOM 0 HG3 LYS A 48 8.742 17.891 -14.177 1.00 54.33 H new ATOM 0 HD2 LYS A 48 10.200 18.866 -12.708 1.00 33.21 H new ATOM 0 HD3 LYS A 48 8.720 19.383 -11.926 1.00 33.21 H new ATOM 0 HE2 LYS A 48 8.810 17.380 -10.441 1.00 55.13 H new ATOM 0 HE3 LYS A 48 10.297 16.874 -11.218 1.00 55.13 H new ATOM 0 HZ1 LYS A 48 10.739 18.047 -9.161 1.00 72.31 H new ATOM 0 HZ2 LYS A 48 11.353 18.930 -10.476 1.00 72.31 H new ATOM 0 HZ3 LYS A 48 9.912 19.420 -9.722 1.00 72.31 H new ATOM 753 N VAL A 49 6.649 17.885 -15.748 1.00 14.22 N ATOM 754 CA VAL A 49 7.025 17.983 -17.153 1.00 74.00 C ATOM 755 C VAL A 49 8.399 18.624 -17.311 1.00 13.21 C ATOM 756 O VAL A 49 8.530 19.848 -17.289 1.00 54.41 O ATOM 757 CB VAL A 49 5.994 18.800 -17.954 1.00 52.14 C ATOM 758 CG1 VAL A 49 4.742 17.975 -18.212 1.00 10.43 C ATOM 759 CG2 VAL A 49 5.652 20.089 -17.223 1.00 12.41 C ATOM 0 H VAL A 49 6.465 18.781 -15.297 1.00 14.22 H new ATOM 0 HA VAL A 49 7.055 16.966 -17.544 1.00 74.00 H new ATOM 0 HB VAL A 49 6.432 19.061 -18.917 1.00 52.14 H new ATOM 0 HG11 VAL A 49 4.025 18.569 -18.779 1.00 10.43 H new ATOM 0 HG12 VAL A 49 5.005 17.083 -18.781 1.00 10.43 H new ATOM 0 HG13 VAL A 49 4.298 17.681 -17.261 1.00 10.43 H new ATOM 0 HG21 VAL A 49 4.922 20.654 -17.803 1.00 12.41 H new ATOM 0 HG22 VAL A 49 5.233 19.852 -16.245 1.00 12.41 H new ATOM 0 HG23 VAL A 49 6.555 20.686 -17.096 1.00 12.41 H new ATOM 769 N ILE A 50 9.420 17.790 -17.470 1.00 62.52 N ATOM 770 CA ILE A 50 10.785 18.275 -17.633 1.00 53.34 C ATOM 771 C ILE A 50 11.638 17.271 -18.400 1.00 72.34 C ATOM 772 O ILE A 50 11.399 16.064 -18.342 1.00 31.24 O ATOM 773 CB ILE A 50 11.447 18.561 -16.273 1.00 1.22 C ATOM 774 CG1 ILE A 50 12.780 19.285 -16.472 1.00 43.10 C ATOM 775 CG2 ILE A 50 11.651 17.266 -15.501 1.00 4.33 C ATOM 776 CD1 ILE A 50 13.285 19.975 -15.224 1.00 44.34 C ATOM 0 H ILE A 50 9.328 16.774 -17.490 1.00 62.52 H new ATOM 0 HA ILE A 50 10.724 19.204 -18.200 1.00 53.34 H new ATOM 0 HB ILE A 50 10.788 19.207 -15.693 1.00 1.22 H new ATOM 0 HG12 ILE A 50 13.528 18.567 -16.808 1.00 43.10 H new ATOM 0 HG13 ILE A 50 12.668 20.024 -17.266 1.00 43.10 H new ATOM 0 HG21 ILE A 50 12.120 17.484 -14.542 1.00 4.33 H new ATOM 0 HG22 ILE A 50 10.686 16.787 -15.333 1.00 4.33 H new ATOM 0 HG23 ILE A 50 12.293 16.598 -16.075 1.00 4.33 H new ATOM 0 HD11 ILE A 50 14.234 20.467 -15.439 1.00 44.34 H new ATOM 0 HD12 ILE A 50 12.556 20.718 -14.899 1.00 44.34 H new ATOM 0 HD13 ILE A 50 13.429 19.238 -14.434 1.00 44.34 H new ATOM 788 N LEU A 51 12.635 17.776 -19.118 1.00 53.04 N ATOM 789 CA LEU A 51 13.526 16.923 -19.897 1.00 23.15 C ATOM 790 C LEU A 51 14.895 16.815 -19.231 1.00 74.31 C ATOM 791 O LEU A 51 15.344 17.741 -18.556 1.00 43.40 O ATOM 792 CB LEU A 51 13.679 17.471 -21.316 1.00 51.53 C ATOM 793 CG LEU A 51 12.381 17.828 -22.041 1.00 74.33 C ATOM 794 CD1 LEU A 51 12.634 18.891 -23.099 1.00 21.13 C ATOM 795 CD2 LEU A 51 11.762 16.587 -22.668 1.00 32.42 C ATOM 0 H LEU A 51 12.847 18.772 -19.177 1.00 53.04 H new ATOM 0 HA LEU A 51 13.085 15.927 -19.945 1.00 23.15 H new ATOM 0 HB2 LEU A 51 14.305 18.362 -21.274 1.00 51.53 H new ATOM 0 HB3 LEU A 51 14.214 16.733 -21.913 1.00 51.53 H new ATOM 0 HG LEU A 51 11.679 18.231 -21.311 1.00 74.33 H new ATOM 0 HD11 LEU A 51 11.698 19.132 -23.604 1.00 21.13 H new ATOM 0 HD12 LEU A 51 13.032 19.788 -22.625 1.00 21.13 H new ATOM 0 HD13 LEU A 51 13.353 18.516 -23.827 1.00 21.13 H new ATOM 0 HD21 LEU A 51 10.839 16.860 -23.180 1.00 32.42 H new ATOM 0 HD22 LEU A 51 12.460 16.155 -23.385 1.00 32.42 H new ATOM 0 HD23 LEU A 51 11.543 15.857 -21.889 1.00 32.42 H new ATOM 807 N THR A 52 15.554 15.677 -19.428 1.00 4.44 N ATOM 808 CA THR A 52 16.872 15.448 -18.848 1.00 13.11 C ATOM 809 C THR A 52 17.973 15.971 -19.762 1.00 44.43 C ATOM 810 O THR A 52 19.158 15.755 -19.510 1.00 33.53 O ATOM 811 CB THR A 52 17.113 13.951 -18.577 1.00 3.24 C ATOM 812 OG1 THR A 52 18.327 13.777 -17.837 1.00 11.02 O ATOM 813 CG2 THR A 52 17.191 13.171 -19.880 1.00 65.30 C ATOM 0 H THR A 52 15.197 14.900 -19.984 1.00 4.44 H new ATOM 0 HA THR A 52 16.901 15.990 -17.903 1.00 13.11 H new ATOM 0 HB THR A 52 16.275 13.570 -17.994 1.00 3.24 H new ATOM 0 HG1 THR A 52 19.011 14.387 -18.183 1.00 11.02 H new ATOM 0 HG21 THR A 52 17.362 12.117 -19.663 1.00 65.30 H new ATOM 0 HG22 THR A 52 16.255 13.282 -20.427 1.00 65.30 H new ATOM 0 HG23 THR A 52 18.013 13.555 -20.485 1.00 65.30 H new ATOM 821 N ASN A 53 17.575 16.662 -20.826 1.00 2.24 N ATOM 822 CA ASN A 53 18.530 17.217 -21.778 1.00 40.02 C ATOM 823 C ASN A 53 18.790 18.693 -21.491 1.00 21.31 C ATOM 824 O ASN A 53 18.999 19.487 -22.407 1.00 30.20 O ATOM 825 CB ASN A 53 18.013 17.048 -23.208 1.00 74.21 C ATOM 826 CG ASN A 53 19.130 16.792 -24.201 1.00 1.21 C ATOM 827 OD1 ASN A 53 19.374 15.653 -24.598 1.00 21.31 O ATOM 828 ND2 ASN A 53 19.815 17.855 -24.607 1.00 24.15 N ATOM 0 H ASN A 53 16.598 16.851 -21.050 1.00 2.24 H new ATOM 0 HA ASN A 53 19.469 16.673 -21.671 1.00 40.02 H new ATOM 0 HB2 ASN A 53 17.305 16.219 -23.240 1.00 74.21 H new ATOM 0 HB3 ASN A 53 17.467 17.945 -23.502 1.00 74.21 H new ATOM 0 HD21 ASN A 53 20.578 17.745 -25.275 1.00 24.15 H new ATOM 0 HD22 ASN A 53 19.578 18.781 -24.251 1.00 24.15 H new ATOM 835 N GLY A 54 18.776 19.052 -20.211 1.00 2.41 N ATOM 836 CA GLY A 54 19.012 20.431 -19.825 1.00 42.42 C ATOM 837 C GLY A 54 17.977 21.379 -20.398 1.00 32.12 C ATOM 838 O GLY A 54 18.260 22.555 -20.628 1.00 72.21 O ATOM 0 H GLY A 54 18.606 18.413 -19.435 1.00 2.41 H new ATOM 0 HA2 GLY A 54 19.007 20.507 -18.738 1.00 42.42 H new ATOM 0 HA3 GLY A 54 20.004 20.734 -20.161 1.00 42.42 H new ATOM 842 N LYS A 55 16.773 20.867 -20.630 1.00 70.23 N ATOM 843 CA LYS A 55 15.691 21.674 -21.180 1.00 54.32 C ATOM 844 C LYS A 55 14.363 21.332 -20.512 1.00 72.23 C ATOM 845 O LYS A 55 14.203 20.250 -19.948 1.00 23.11 O ATOM 846 CB LYS A 55 15.584 21.460 -22.692 1.00 32.33 C ATOM 847 CG LYS A 55 16.485 22.376 -23.501 1.00 52.13 C ATOM 848 CD LYS A 55 16.852 21.757 -24.840 1.00 14.23 C ATOM 849 CE LYS A 55 18.296 22.052 -25.213 1.00 2.30 C ATOM 850 NZ LYS A 55 18.450 22.314 -26.671 1.00 0.01 N ATOM 0 H LYS A 55 16.522 19.896 -20.445 1.00 70.23 H new ATOM 0 HA LYS A 55 15.917 22.722 -20.983 1.00 54.32 H new ATOM 0 HB2 LYS A 55 15.832 20.424 -22.922 1.00 32.33 H new ATOM 0 HB3 LYS A 55 14.550 21.616 -23.000 1.00 32.33 H new ATOM 0 HG2 LYS A 55 15.983 23.329 -23.665 1.00 52.13 H new ATOM 0 HG3 LYS A 55 17.393 22.587 -22.936 1.00 52.13 H new ATOM 0 HD2 LYS A 55 16.699 20.679 -24.798 1.00 14.23 H new ATOM 0 HD3 LYS A 55 16.189 22.143 -25.614 1.00 14.23 H new ATOM 0 HE2 LYS A 55 18.647 22.916 -24.650 1.00 2.30 H new ATOM 0 HE3 LYS A 55 18.924 21.209 -24.927 1.00 2.30 H new ATOM 0 HZ1 LYS A 55 19.449 22.511 -26.885 1.00 0.01 H new ATOM 0 HZ2 LYS A 55 18.139 21.480 -27.208 1.00 0.01 H new ATOM 0 HZ3 LYS A 55 17.870 23.135 -26.939 1.00 0.01 H new ATOM 864 N GLN A 56 13.414 22.260 -20.582 1.00 74.42 N ATOM 865 CA GLN A 56 12.100 22.054 -19.985 1.00 34.05 C ATOM 866 C GLN A 56 11.022 21.960 -21.059 1.00 74.41 C ATOM 867 O GLN A 56 11.113 22.606 -22.102 1.00 62.24 O ATOM 868 CB GLN A 56 11.773 23.192 -19.016 1.00 51.11 C ATOM 869 CG GLN A 56 11.615 24.543 -19.696 1.00 24.25 C ATOM 870 CD GLN A 56 11.848 25.703 -18.748 1.00 52.22 C ATOM 871 OE1 GLN A 56 12.203 25.509 -17.585 1.00 71.23 O ATOM 872 NE2 GLN A 56 11.648 26.920 -19.242 1.00 24.23 N ATOM 0 H GLN A 56 13.530 23.161 -21.046 1.00 74.42 H new ATOM 0 HA GLN A 56 12.122 21.113 -19.436 1.00 34.05 H new ATOM 0 HB2 GLN A 56 10.852 22.952 -18.484 1.00 51.11 H new ATOM 0 HB3 GLN A 56 12.564 23.261 -18.269 1.00 51.11 H new ATOM 0 HG2 GLN A 56 12.316 24.611 -20.527 1.00 24.25 H new ATOM 0 HG3 GLN A 56 10.613 24.619 -20.118 1.00 24.25 H new ATOM 0 HE21 GLN A 56 11.354 27.035 -20.212 1.00 24.23 H new ATOM 0 HE22 GLN A 56 11.789 27.740 -18.651 1.00 24.23 H new ATOM 881 N ALA A 57 10.001 21.150 -20.797 1.00 31.22 N ATOM 882 CA ALA A 57 8.905 20.972 -21.741 1.00 15.22 C ATOM 883 C ALA A 57 8.310 22.315 -22.151 1.00 44.32 C ATOM 884 O ALA A 57 8.481 23.330 -21.474 1.00 73.52 O ATOM 885 CB ALA A 57 7.830 20.079 -21.139 1.00 54.12 C ATOM 0 H ALA A 57 9.910 20.607 -19.938 1.00 31.22 H new ATOM 0 HA ALA A 57 9.303 20.492 -22.635 1.00 15.22 H new ATOM 0 HB1 ALA A 57 7.017 19.955 -21.855 1.00 54.12 H new ATOM 0 HB2 ALA A 57 8.257 19.105 -20.902 1.00 54.12 H new ATOM 0 HB3 ALA A 57 7.444 20.537 -20.228 1.00 54.12 H new ATOM 891 N PRO A 58 7.597 22.325 -23.287 1.00 13.43 N ATOM 892 CA PRO A 58 6.963 23.538 -23.813 1.00 1.12 C ATOM 893 C PRO A 58 5.789 23.997 -22.955 1.00 53.23 C ATOM 894 O PRO A 58 5.564 23.475 -21.863 1.00 50.51 O ATOM 895 CB PRO A 58 6.477 23.111 -25.200 1.00 45.43 C ATOM 896 CG PRO A 58 6.298 21.636 -25.101 1.00 70.25 C ATOM 897 CD PRO A 58 7.353 21.153 -24.144 1.00 53.54 C ATOM 0 HA PRO A 58 7.651 24.383 -23.829 1.00 1.12 H new ATOM 0 HB2 PRO A 58 5.542 23.607 -25.462 1.00 45.43 H new ATOM 0 HB3 PRO A 58 7.202 23.371 -25.971 1.00 45.43 H new ATOM 0 HG2 PRO A 58 5.300 21.388 -24.739 1.00 70.25 H new ATOM 0 HG3 PRO A 58 6.410 21.163 -26.077 1.00 70.25 H new ATOM 0 HD2 PRO A 58 7.009 20.296 -23.565 1.00 53.54 H new ATOM 0 HD3 PRO A 58 8.258 20.842 -24.666 1.00 53.54 H new ATOM 905 N ASP A 59 5.043 24.975 -23.457 1.00 12.31 N ATOM 906 CA ASP A 59 3.890 25.504 -22.737 1.00 72.30 C ATOM 907 C ASP A 59 2.653 24.646 -22.987 1.00 63.00 C ATOM 908 O ASP A 59 1.648 24.771 -22.288 1.00 31.42 O ATOM 909 CB ASP A 59 3.617 26.949 -23.158 1.00 62.40 C ATOM 910 CG ASP A 59 4.155 27.954 -22.159 1.00 44.01 C ATOM 911 OD1 ASP A 59 5.271 27.737 -21.642 1.00 42.45 O ATOM 912 OD2 ASP A 59 3.460 28.957 -21.893 1.00 44.34 O ATOM 0 H ASP A 59 5.216 25.418 -24.360 1.00 12.31 H new ATOM 0 HA ASP A 59 4.117 25.481 -21.671 1.00 72.30 H new ATOM 0 HB2 ASP A 59 4.069 27.132 -24.133 1.00 62.40 H new ATOM 0 HB3 ASP A 59 2.543 27.094 -23.273 1.00 62.40 H new ATOM 917 N TRP A 60 2.735 23.777 -23.988 1.00 41.32 N ATOM 918 CA TRP A 60 1.622 22.900 -24.331 1.00 72.42 C ATOM 919 C TRP A 60 1.897 21.469 -23.880 1.00 42.50 C ATOM 920 O TRP A 60 1.340 20.517 -24.427 1.00 54.11 O ATOM 921 CB TRP A 60 1.366 22.932 -25.839 1.00 20.42 C ATOM 922 CG TRP A 60 2.608 22.744 -26.656 1.00 43.22 C ATOM 923 CD1 TRP A 60 3.485 23.715 -27.050 1.00 35.11 C ATOM 924 CD2 TRP A 60 3.111 21.511 -27.181 1.00 74.51 C ATOM 925 NE1 TRP A 60 4.501 23.159 -27.788 1.00 65.10 N ATOM 926 CE2 TRP A 60 4.296 21.808 -27.882 1.00 73.02 C ATOM 927 CE3 TRP A 60 2.676 20.184 -27.125 1.00 62.45 C ATOM 928 CZ2 TRP A 60 5.048 20.827 -28.522 1.00 72.43 C ATOM 929 CZ3 TRP A 60 3.424 19.211 -27.762 1.00 34.25 C ATOM 930 CH2 TRP A 60 4.599 19.536 -28.452 1.00 31.23 C ATOM 0 H TRP A 60 3.560 23.661 -24.576 1.00 41.32 H new ATOM 0 HA TRP A 60 0.735 23.261 -23.811 1.00 72.42 H new ATOM 0 HB2 TRP A 60 0.649 22.152 -26.095 1.00 20.42 H new ATOM 0 HB3 TRP A 60 0.907 23.885 -26.102 1.00 20.42 H new ATOM 0 HD1 TRP A 60 3.393 24.765 -26.816 1.00 35.11 H new ATOM 0 HE1 TRP A 60 5.282 23.670 -28.200 1.00 65.10 H new ATOM 0 HE3 TRP A 60 1.772 19.923 -26.594 1.00 62.45 H new ATOM 0 HZ2 TRP A 60 5.954 21.076 -29.055 1.00 72.43 H new ATOM 0 HZ3 TRP A 60 3.097 18.182 -27.727 1.00 34.25 H new ATOM 0 HH2 TRP A 60 5.161 18.753 -28.938 1.00 31.23 H new ATOM 941 N LEU A 61 2.759 21.325 -22.880 1.00 24.11 N ATOM 942 CA LEU A 61 3.109 20.009 -22.355 1.00 15.42 C ATOM 943 C LEU A 61 2.641 19.858 -20.911 1.00 22.03 C ATOM 944 O LEU A 61 2.732 20.794 -20.117 1.00 55.33 O ATOM 945 CB LEU A 61 4.620 19.789 -22.439 1.00 51.45 C ATOM 946 CG LEU A 61 5.077 18.581 -23.257 1.00 45.13 C ATOM 947 CD1 LEU A 61 4.369 17.320 -22.789 1.00 35.14 C ATOM 948 CD2 LEU A 61 4.828 18.815 -24.740 1.00 44.41 C ATOM 0 H LEU A 61 3.229 22.103 -22.416 1.00 24.11 H new ATOM 0 HA LEU A 61 2.605 19.257 -22.962 1.00 15.42 H new ATOM 0 HB2 LEU A 61 5.074 20.684 -22.865 1.00 51.45 H new ATOM 0 HB3 LEU A 61 5.009 19.685 -21.426 1.00 51.45 H new ATOM 0 HG LEU A 61 6.148 18.449 -23.105 1.00 45.13 H new ATOM 0 HD11 LEU A 61 4.707 16.471 -23.383 1.00 35.14 H new ATOM 0 HD12 LEU A 61 4.599 17.142 -21.738 1.00 35.14 H new ATOM 0 HD13 LEU A 61 3.292 17.441 -22.910 1.00 35.14 H new ATOM 0 HD21 LEU A 61 5.160 17.945 -25.306 1.00 44.41 H new ATOM 0 HD22 LEU A 61 3.763 18.974 -24.909 1.00 44.41 H new ATOM 0 HD23 LEU A 61 5.383 19.694 -25.068 1.00 44.41 H new ATOM 960 N ALA A 62 2.144 18.672 -20.577 1.00 34.25 N ATOM 961 CA ALA A 62 1.666 18.396 -19.227 1.00 44.31 C ATOM 962 C ALA A 62 1.878 16.932 -18.858 1.00 71.13 C ATOM 963 O ALA A 62 2.360 16.141 -19.669 1.00 4.44 O ATOM 964 CB ALA A 62 0.196 18.767 -19.101 1.00 42.32 C ATOM 0 H ALA A 62 2.062 17.886 -21.222 1.00 34.25 H new ATOM 0 HA ALA A 62 2.244 19.006 -18.532 1.00 44.31 H new ATOM 0 HB1 ALA A 62 -0.147 18.556 -18.088 1.00 42.32 H new ATOM 0 HB2 ALA A 62 0.069 19.829 -19.313 1.00 42.32 H new ATOM 0 HB3 ALA A 62 -0.389 18.183 -19.812 1.00 42.32 H new ATOM 970 N ALA A 63 1.514 16.577 -17.630 1.00 44.41 N ATOM 971 CA ALA A 63 1.663 15.207 -17.155 1.00 4.52 C ATOM 972 C ALA A 63 0.719 14.924 -15.991 1.00 42.33 C ATOM 973 O ALA A 63 0.819 15.547 -14.934 1.00 71.54 O ATOM 974 CB ALA A 63 3.105 14.945 -16.743 1.00 54.44 C ATOM 0 H ALA A 63 1.114 17.219 -16.946 1.00 44.41 H new ATOM 0 HA ALA A 63 1.402 14.535 -17.972 1.00 4.52 H new ATOM 0 HB1 ALA A 63 3.202 13.918 -16.390 1.00 54.44 H new ATOM 0 HB2 ALA A 63 3.762 15.098 -17.599 1.00 54.44 H new ATOM 0 HB3 ALA A 63 3.385 15.631 -15.944 1.00 54.44 H new ATOM 980 N GLU A 64 -0.197 13.982 -16.194 1.00 4.30 N ATOM 981 CA GLU A 64 -1.159 13.619 -15.161 1.00 14.01 C ATOM 982 C GLU A 64 -0.869 12.225 -14.612 1.00 62.04 C ATOM 983 O GLU A 64 -0.184 11.415 -15.237 1.00 62.11 O ATOM 984 CB GLU A 64 -2.584 13.673 -15.718 1.00 5.31 C ATOM 985 CG GLU A 64 -3.304 14.977 -15.420 1.00 14.22 C ATOM 986 CD GLU A 64 -4.813 14.838 -15.484 1.00 20.40 C ATOM 987 OE1 GLU A 64 -5.293 13.829 -16.042 1.00 41.24 O ATOM 988 OE2 GLU A 64 -5.514 15.738 -14.975 1.00 65.30 O ATOM 0 H GLU A 64 -0.293 13.457 -17.063 1.00 4.30 H new ATOM 0 HA GLU A 64 -1.067 14.338 -14.347 1.00 14.01 H new ATOM 0 HB2 GLU A 64 -2.549 13.525 -16.797 1.00 5.31 H new ATOM 0 HB3 GLU A 64 -3.160 12.846 -15.302 1.00 5.31 H new ATOM 0 HG2 GLU A 64 -3.017 15.328 -14.429 1.00 14.22 H new ATOM 0 HG3 GLU A 64 -2.982 15.736 -16.133 1.00 14.22 H new