USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 156:sc= -0.153 (180deg=-0.954) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0187 (180deg=-0.441) USER MOD Single : A 28 MET CE :methyl 154:sc= -0.136 (180deg=-1.06) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.8!) USER MOD Single : A 39 MET CE :methyl -172:sc= -0.0523 (180deg=-0.185) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -1.94! (180deg=-3.87!) USER MOD Single : A 49 SER OG : rot -170:sc= -0.382 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0607 USER MOD Single : A 64 GLN : amide:sc= -6.58! C(o=-6.6!,f=-6.6!) USER MOD Single : A 70 SER OG : rot -39:sc= 0.302 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.333 USER MOD Single : A 74 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.8!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.667 0.794 -10.752 1.00 0.00 N ATOM 2 CA MET A 1 70.323 0.240 -10.427 1.00 0.00 C ATOM 3 C MET A 1 70.453 -1.254 -10.150 1.00 0.00 C ATOM 4 O MET A 1 70.094 -2.084 -10.984 1.00 0.00 O ATOM 5 CB MET A 1 69.378 0.479 -11.606 1.00 0.00 C ATOM 6 CG MET A 1 67.959 0.059 -11.218 1.00 0.00 C ATOM 7 SD MET A 1 66.817 0.467 -12.563 1.00 0.00 S ATOM 8 CE MET A 1 67.451 -0.699 -13.794 1.00 0.00 C ATOM 0 H1 MET A 1 71.586 1.813 -10.942 1.00 0.00 H new ATOM 0 H2 MET A 1 72.309 0.642 -9.948 1.00 0.00 H new ATOM 0 H3 MET A 1 72.046 0.314 -11.593 1.00 0.00 H new ATOM 0 HA MET A 1 69.918 0.734 -9.544 1.00 0.00 H new ATOM 0 HB2 MET A 1 69.392 1.531 -11.889 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.712 -0.089 -12.474 1.00 0.00 H new ATOM 0 HG2 MET A 1 67.929 -1.011 -11.013 1.00 0.00 H new ATOM 0 HG3 MET A 1 67.656 0.567 -10.303 1.00 0.00 H new ATOM 0 HE1 MET A 1 66.668 -0.926 -14.518 1.00 0.00 H new ATOM 0 HE2 MET A 1 68.304 -0.257 -14.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 67.763 -1.618 -13.298 1.00 0.00 H new ATOM 20 N TYR A 2 70.973 -1.585 -8.971 1.00 0.00 N ATOM 21 CA TYR A 2 71.153 -2.983 -8.586 1.00 0.00 C ATOM 22 C TYR A 2 69.866 -3.522 -7.973 1.00 0.00 C ATOM 23 O TYR A 2 69.125 -2.785 -7.319 1.00 0.00 O ATOM 24 CB TYR A 2 72.311 -3.107 -7.578 1.00 0.00 C ATOM 25 CG TYR A 2 72.909 -4.506 -7.633 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.269 -5.576 -6.987 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.108 -4.732 -8.329 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.822 -6.860 -7.040 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.658 -6.021 -8.378 1.00 0.00 C ATOM 30 CZ TYR A 2 74.014 -7.082 -7.734 1.00 0.00 C ATOM 31 OH TYR A 2 74.549 -8.352 -7.784 1.00 0.00 O ATOM 0 H TYR A 2 71.276 -0.910 -8.269 1.00 0.00 H new ATOM 0 HA TYR A 2 71.395 -3.568 -9.474 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.079 -2.366 -7.802 1.00 0.00 H new ATOM 0 HB3 TYR A 2 71.950 -2.897 -6.571 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.348 -5.407 -6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.606 -3.913 -8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.326 -7.681 -6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 2 75.580 -6.194 -8.914 1.00 0.00 H new ATOM 0 HH TYR A 2 75.378 -8.337 -8.306 1.00 0.00 H new ATOM 41 N GLU A 3 69.601 -4.811 -8.185 1.00 0.00 N ATOM 42 CA GLU A 3 68.391 -5.446 -7.649 1.00 0.00 C ATOM 43 C GLU A 3 68.763 -6.613 -6.742 1.00 0.00 C ATOM 44 O GLU A 3 69.624 -7.423 -7.081 1.00 0.00 O ATOM 45 CB GLU A 3 67.513 -5.960 -8.798 1.00 0.00 C ATOM 46 CG GLU A 3 66.932 -4.779 -9.584 1.00 0.00 C ATOM 47 CD GLU A 3 66.130 -5.286 -10.777 1.00 0.00 C ATOM 48 OE1 GLU A 3 66.064 -6.491 -10.954 1.00 0.00 O ATOM 49 OE2 GLU A 3 65.593 -4.460 -11.497 1.00 0.00 O ATOM 0 H GLU A 3 70.203 -5.436 -8.721 1.00 0.00 H new ATOM 0 HA GLU A 3 67.839 -4.703 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.102 -6.594 -9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.706 -6.576 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.293 -4.180 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.737 -4.129 -9.927 1.00 0.00 H new ATOM 56 N PHE A 4 68.097 -6.702 -5.589 1.00 0.00 N ATOM 57 CA PHE A 4 68.356 -7.794 -4.638 1.00 0.00 C ATOM 58 C PHE A 4 67.288 -8.869 -4.797 1.00 0.00 C ATOM 59 O PHE A 4 66.097 -8.619 -4.610 1.00 0.00 O ATOM 60 CB PHE A 4 68.398 -7.247 -3.187 1.00 0.00 C ATOM 61 CG PHE A 4 68.075 -8.324 -2.148 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.682 -9.593 -2.203 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.156 -8.043 -1.120 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.368 -10.563 -1.243 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.852 -9.016 -0.164 1.00 0.00 C ATOM 66 CZ PHE A 4 67.456 -10.275 -0.226 1.00 0.00 C ATOM 0 H PHE A 4 67.381 -6.040 -5.290 1.00 0.00 H new ATOM 0 HA PHE A 4 69.328 -8.239 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.387 -6.836 -2.985 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.686 -6.427 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.390 -9.819 -2.986 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.684 -7.073 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 4 68.833 -11.537 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.148 -8.795 0.625 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.217 -11.025 0.513 1.00 0.00 H new ATOM 76 N LYS A 5 67.731 -10.069 -5.164 1.00 0.00 N ATOM 77 CA LYS A 5 66.825 -11.198 -5.374 1.00 0.00 C ATOM 78 C LYS A 5 67.199 -12.352 -4.457 1.00 0.00 C ATOM 79 O LYS A 5 68.376 -12.569 -4.166 1.00 0.00 O ATOM 80 CB LYS A 5 66.912 -11.662 -6.831 1.00 0.00 C ATOM 81 CG LYS A 5 66.423 -10.543 -7.755 1.00 0.00 C ATOM 82 CD LYS A 5 66.395 -11.033 -9.211 1.00 0.00 C ATOM 83 CE LYS A 5 67.824 -11.215 -9.741 1.00 0.00 C ATOM 84 NZ LYS A 5 67.794 -11.330 -11.226 1.00 0.00 N ATOM 0 H LYS A 5 68.715 -10.286 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 5 65.808 -10.878 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.940 -11.929 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.307 -12.557 -6.975 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.427 -10.221 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.078 -9.676 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.854 -11.977 -9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.858 -10.316 -9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 5 68.444 -10.369 -9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 5 68.273 -12.108 -9.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 68.763 -11.453 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 67.217 -12.151 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 67.382 -10.466 -11.633 1.00 0.00 H new ATOM 98 N LEU A 6 66.200 -13.100 -4.011 1.00 0.00 N ATOM 99 CA LEU A 6 66.477 -14.240 -3.134 1.00 0.00 C ATOM 100 C LEU A 6 67.371 -15.236 -3.900 1.00 0.00 C ATOM 101 O LEU A 6 66.935 -15.778 -4.916 1.00 0.00 O ATOM 102 CB LEU A 6 65.169 -14.944 -2.688 1.00 0.00 C ATOM 103 CG LEU A 6 65.398 -15.695 -1.352 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.143 -14.749 -0.170 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.442 -16.891 -1.252 1.00 0.00 C ATOM 0 H LEU A 6 65.215 -12.949 -4.231 1.00 0.00 H new ATOM 0 HA LEU A 6 66.980 -13.883 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.373 -14.209 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.843 -15.645 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 6 66.429 -16.048 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.306 -15.284 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 6 65.827 -13.902 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.115 -14.389 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.610 -17.413 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.412 -16.538 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.624 -17.573 -2.082 1.00 0.00 H new ATOM 117 N PRO A 7 68.596 -15.489 -3.473 1.00 0.00 N ATOM 118 CA PRO A 7 69.495 -16.436 -4.202 1.00 0.00 C ATOM 119 C PRO A 7 68.829 -17.772 -4.527 1.00 0.00 C ATOM 120 O PRO A 7 68.114 -18.347 -3.705 1.00 0.00 O ATOM 121 CB PRO A 7 70.678 -16.635 -3.244 1.00 0.00 C ATOM 122 CG PRO A 7 70.713 -15.397 -2.411 1.00 0.00 C ATOM 123 CD PRO A 7 69.264 -14.908 -2.291 1.00 0.00 C ATOM 0 HA PRO A 7 69.783 -16.035 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 7 70.541 -17.523 -2.626 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.611 -16.769 -3.791 1.00 0.00 H new ATOM 0 HG2 PRO A 7 71.135 -15.604 -1.427 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.342 -14.636 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.803 -15.248 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.208 -13.819 -2.295 1.00 0.00 H new ATOM 131 N ASP A 8 69.081 -18.247 -5.741 1.00 0.00 N ATOM 132 CA ASP A 8 68.516 -19.515 -6.200 1.00 0.00 C ATOM 133 C ASP A 8 69.332 -20.707 -5.688 1.00 0.00 C ATOM 134 O ASP A 8 69.149 -21.830 -6.157 1.00 0.00 O ATOM 135 CB ASP A 8 68.491 -19.547 -7.729 1.00 0.00 C ATOM 136 CG ASP A 8 67.492 -18.525 -8.258 1.00 0.00 C ATOM 137 OD1 ASP A 8 66.692 -18.045 -7.473 1.00 0.00 O ATOM 138 OD2 ASP A 8 67.545 -18.235 -9.441 1.00 0.00 O ATOM 0 H ASP A 8 69.672 -17.776 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 8 67.503 -19.592 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 8 69.485 -19.332 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 8 68.220 -20.545 -8.075 1.00 0.00 H new ATOM 143 N ILE A 9 70.228 -20.461 -4.728 1.00 0.00 N ATOM 144 CA ILE A 9 71.066 -21.526 -4.168 1.00 0.00 C ATOM 145 C ILE A 9 70.906 -21.590 -2.651 1.00 0.00 C ATOM 146 O ILE A 9 70.660 -20.575 -2.000 1.00 0.00 O ATOM 147 CB ILE A 9 72.534 -21.266 -4.535 1.00 0.00 C ATOM 148 CG1 ILE A 9 72.989 -19.916 -3.964 1.00 0.00 C ATOM 149 CG2 ILE A 9 72.680 -21.238 -6.058 1.00 0.00 C ATOM 150 CD1 ILE A 9 74.487 -19.731 -4.226 1.00 0.00 C ATOM 0 H ILE A 9 70.392 -19.539 -4.324 1.00 0.00 H new ATOM 0 HA ILE A 9 70.752 -22.483 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 9 73.150 -22.061 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 9 72.425 -19.105 -4.425 1.00 0.00 H new ATOM 0 HG13 ILE A 9 72.788 -19.875 -2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 73.722 -21.053 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 9 72.366 -22.196 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.056 -20.444 -6.469 1.00 0.00 H new ATOM 0 HD11 ILE A 9 74.812 -18.773 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 9 75.043 -20.535 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 9 74.674 -19.753 -5.300 1.00 0.00 H new ATOM 162 N GLY A 10 71.044 -22.790 -2.095 1.00 0.00 N ATOM 163 CA GLY A 10 70.908 -22.978 -0.654 1.00 0.00 C ATOM 164 C GLY A 10 70.493 -24.411 -0.337 1.00 0.00 C ATOM 165 O GLY A 10 70.539 -25.284 -1.203 1.00 0.00 O ATOM 0 H GLY A 10 71.249 -23.642 -2.617 1.00 0.00 H new ATOM 0 HA2 GLY A 10 71.853 -22.750 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 10 70.167 -22.283 -0.259 1.00 0.00 H new ATOM 169 N GLU A 11 70.075 -24.638 0.903 1.00 0.00 N ATOM 170 CA GLU A 11 69.641 -25.963 1.325 1.00 0.00 C ATOM 171 C GLU A 11 68.371 -26.371 0.581 1.00 0.00 C ATOM 172 O GLU A 11 68.192 -27.537 0.229 1.00 0.00 O ATOM 173 CB GLU A 11 69.390 -25.965 2.837 1.00 0.00 C ATOM 174 CG GLU A 11 68.411 -24.845 3.199 1.00 0.00 C ATOM 175 CD GLU A 11 68.198 -24.812 4.708 1.00 0.00 C ATOM 176 OE1 GLU A 11 68.251 -25.869 5.316 1.00 0.00 O ATOM 177 OE2 GLU A 11 67.985 -23.733 5.235 1.00 0.00 O ATOM 0 H GLU A 11 70.028 -23.925 1.630 1.00 0.00 H new ATOM 0 HA GLU A 11 70.424 -26.683 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 11 68.986 -26.929 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 11 70.330 -25.827 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 68.799 -23.886 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 67.459 -25.003 2.692 1.00 0.00 H new ATOM 184 N GLY A 12 67.491 -25.402 0.348 1.00 0.00 N ATOM 185 CA GLY A 12 66.241 -25.672 -0.355 1.00 0.00 C ATOM 186 C GLY A 12 65.316 -24.463 -0.296 1.00 0.00 C ATOM 187 O GLY A 12 65.146 -23.852 0.759 1.00 0.00 O ATOM 0 H GLY A 12 67.618 -24.431 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 12 66.450 -25.925 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.747 -26.536 0.090 1.00 0.00 H new ATOM 191 N VAL A 13 64.719 -24.117 -1.438 1.00 0.00 N ATOM 192 CA VAL A 13 63.806 -22.969 -1.511 1.00 0.00 C ATOM 193 C VAL A 13 62.471 -23.392 -2.124 1.00 0.00 C ATOM 194 O VAL A 13 62.433 -24.005 -3.191 1.00 0.00 O ATOM 195 CB VAL A 13 64.440 -21.857 -2.364 1.00 0.00 C ATOM 196 CG1 VAL A 13 63.398 -20.777 -2.686 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.611 -21.220 -1.601 1.00 0.00 C ATOM 0 H VAL A 13 64.848 -24.610 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 13 63.627 -22.596 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 13 64.803 -22.294 -3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 13 63.859 -19.995 -3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 62.571 -21.223 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 13 63.023 -20.345 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 13 66.057 -20.433 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 13 65.247 -20.794 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 13 66.361 -21.981 -1.385 1.00 0.00 H new ATOM 207 N THR A 14 61.377 -23.045 -1.443 1.00 0.00 N ATOM 208 CA THR A 14 60.031 -23.375 -1.920 1.00 0.00 C ATOM 209 C THR A 14 59.191 -22.106 -2.061 1.00 0.00 C ATOM 210 O THR A 14 58.266 -22.052 -2.871 1.00 0.00 O ATOM 211 CB THR A 14 59.347 -24.323 -0.931 1.00 0.00 C ATOM 212 OG1 THR A 14 59.538 -23.839 0.391 1.00 0.00 O ATOM 213 CG2 THR A 14 59.945 -25.726 -1.052 1.00 0.00 C ATOM 0 H THR A 14 61.396 -22.536 -0.560 1.00 0.00 H new ATOM 0 HA THR A 14 60.117 -23.858 -2.893 1.00 0.00 H new ATOM 0 HB THR A 14 58.282 -24.370 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 59.100 -24.443 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.453 -26.394 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 14 59.797 -26.098 -2.066 1.00 0.00 H new ATOM 0 HG23 THR A 14 61.012 -25.687 -0.832 1.00 0.00 H new ATOM 221 N GLU A 15 59.531 -21.089 -1.270 1.00 0.00 N ATOM 222 CA GLU A 15 58.808 -19.816 -1.312 1.00 0.00 C ATOM 223 C GLU A 15 59.496 -18.785 -0.423 1.00 0.00 C ATOM 224 O GLU A 15 60.217 -19.141 0.508 1.00 0.00 O ATOM 225 CB GLU A 15 57.343 -20.007 -0.881 1.00 0.00 C ATOM 226 CG GLU A 15 57.227 -20.215 0.637 1.00 0.00 C ATOM 227 CD GLU A 15 55.778 -20.531 0.995 1.00 0.00 C ATOM 228 OE1 GLU A 15 54.938 -20.426 0.118 1.00 0.00 O ATOM 229 OE2 GLU A 15 55.530 -20.872 2.140 1.00 0.00 O ATOM 0 H GLU A 15 60.297 -21.119 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 15 58.816 -19.450 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 15 56.759 -19.135 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 15 56.918 -20.866 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.878 -21.030 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.557 -19.320 1.164 1.00 0.00 H new ATOM 236 N GLY A 16 59.274 -17.503 -0.715 1.00 0.00 N ATOM 237 CA GLY A 16 59.885 -16.425 0.065 1.00 0.00 C ATOM 238 C GLY A 16 58.856 -15.727 0.953 1.00 0.00 C ATOM 239 O GLY A 16 57.858 -15.202 0.460 1.00 0.00 O ATOM 0 H GLY A 16 58.679 -17.186 -1.481 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.686 -16.830 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.339 -15.698 -0.609 1.00 0.00 H new ATOM 243 N GLU A 17 59.112 -15.710 2.267 1.00 0.00 N ATOM 244 CA GLU A 17 58.213 -15.056 3.220 1.00 0.00 C ATOM 245 C GLU A 17 59.026 -14.164 4.145 1.00 0.00 C ATOM 246 O GLU A 17 60.090 -14.557 4.624 1.00 0.00 O ATOM 247 CB GLU A 17 57.449 -16.100 4.036 1.00 0.00 C ATOM 248 CG GLU A 17 56.455 -15.394 4.965 1.00 0.00 C ATOM 249 CD GLU A 17 55.631 -16.417 5.738 1.00 0.00 C ATOM 250 OE1 GLU A 17 55.968 -17.586 5.679 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.675 -16.017 6.382 1.00 0.00 O ATOM 0 H GLU A 17 59.933 -16.141 2.692 1.00 0.00 H new ATOM 0 HA GLU A 17 57.490 -14.451 2.673 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.920 -16.782 3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.145 -16.701 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.992 -14.750 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.795 -14.752 4.381 1.00 0.00 H new ATOM 258 N ILE A 18 58.534 -12.952 4.372 1.00 0.00 N ATOM 259 CA ILE A 18 59.236 -11.987 5.224 1.00 0.00 C ATOM 260 C ILE A 18 58.610 -11.881 6.611 1.00 0.00 C ATOM 261 O ILE A 18 57.444 -11.515 6.750 1.00 0.00 O ATOM 262 CB ILE A 18 59.211 -10.613 4.537 1.00 0.00 C ATOM 263 CG1 ILE A 18 60.103 -10.641 3.279 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.705 -9.522 5.497 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.594 -10.486 3.642 1.00 0.00 C ATOM 0 H ILE A 18 57.656 -12.611 3.982 1.00 0.00 H new ATOM 0 HA ILE A 18 60.261 -12.333 5.359 1.00 0.00 H new ATOM 0 HB ILE A 18 58.184 -10.387 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.953 -11.580 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.806 -9.839 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.680 -8.556 4.993 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.059 -9.490 6.375 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.726 -9.744 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 18 62.194 -10.510 2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.747 -9.535 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.896 -11.303 4.298 1.00 0.00 H new ATOM 277 N VAL A 19 59.403 -12.186 7.640 1.00 0.00 N ATOM 278 CA VAL A 19 58.920 -12.099 9.018 1.00 0.00 C ATOM 279 C VAL A 19 59.219 -10.731 9.638 1.00 0.00 C ATOM 280 O VAL A 19 58.370 -10.170 10.332 1.00 0.00 O ATOM 281 CB VAL A 19 59.552 -13.196 9.884 1.00 0.00 C ATOM 282 CG1 VAL A 19 58.991 -14.560 9.472 1.00 0.00 C ATOM 283 CG2 VAL A 19 61.076 -13.185 9.716 1.00 0.00 C ATOM 0 H VAL A 19 60.372 -12.492 7.547 1.00 0.00 H new ATOM 0 HA VAL A 19 57.839 -12.236 8.986 1.00 0.00 H new ATOM 0 HB VAL A 19 59.313 -13.009 10.931 1.00 0.00 H new ATOM 0 HG11 VAL A 19 59.440 -15.339 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 19 57.910 -14.566 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 19 59.223 -14.747 8.424 1.00 0.00 H new ATOM 0 HG21 VAL A 19 61.516 -13.967 10.335 1.00 0.00 H new ATOM 0 HG22 VAL A 19 61.328 -13.364 8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 19 61.469 -12.216 10.023 1.00 0.00 H new ATOM 293 N ARG A 20 60.432 -10.197 9.431 1.00 0.00 N ATOM 294 CA ARG A 20 60.785 -8.902 10.036 1.00 0.00 C ATOM 295 C ARG A 20 61.656 -8.027 9.125 1.00 0.00 C ATOM 296 O ARG A 20 62.526 -8.519 8.406 1.00 0.00 O ATOM 297 CB ARG A 20 61.537 -9.140 11.351 1.00 0.00 C ATOM 298 CG ARG A 20 60.585 -9.703 12.410 1.00 0.00 C ATOM 299 CD ARG A 20 61.374 -10.012 13.683 1.00 0.00 C ATOM 300 NE ARG A 20 60.498 -10.602 14.692 1.00 0.00 N ATOM 301 CZ ARG A 20 59.800 -9.846 15.535 1.00 0.00 C ATOM 302 NH1 ARG A 20 59.857 -8.545 15.448 1.00 0.00 N ATOM 303 NH2 ARG A 20 59.051 -10.410 16.441 1.00 0.00 N ATOM 0 H ARG A 20 61.166 -10.625 8.867 1.00 0.00 H new ATOM 0 HA ARG A 20 59.848 -8.370 10.204 1.00 0.00 H new ATOM 0 HB2 ARG A 20 62.361 -9.834 11.187 1.00 0.00 H new ATOM 0 HB3 ARG A 20 61.973 -8.205 11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 20 59.794 -8.984 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.103 -10.607 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.191 -10.697 13.455 1.00 0.00 H new ATOM 0 HD3 ARG A 20 61.823 -9.098 14.071 1.00 0.00 H new ATOM 0 HE ARG A 20 60.420 -11.617 14.752 1.00 0.00 H new ATOM 0 HH11 ARG A 20 60.437 -8.107 14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 20 59.321 -7.967 16.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.002 -11.427 16.501 1.00 0.00 H new ATOM 0 HH22 ARG A 20 58.514 -9.834 17.090 1.00 0.00 H new ATOM 317 N TRP A 21 61.430 -6.710 9.219 1.00 0.00 N ATOM 318 CA TRP A 21 62.206 -5.707 8.469 1.00 0.00 C ATOM 319 C TRP A 21 62.918 -4.810 9.487 1.00 0.00 C ATOM 320 O TRP A 21 62.325 -4.454 10.506 1.00 0.00 O ATOM 321 CB TRP A 21 61.285 -4.810 7.604 1.00 0.00 C ATOM 322 CG TRP A 21 60.899 -5.449 6.302 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.631 -5.764 5.955 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.733 -5.793 5.147 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.629 -6.297 4.679 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.902 -6.339 4.139 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.112 -5.698 4.881 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.420 -6.773 2.914 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.638 -6.127 3.650 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.794 -6.663 2.667 1.00 0.00 C ATOM 0 H TRP A 21 60.706 -6.308 9.815 1.00 0.00 H new ATOM 0 HA TRP A 21 62.907 -6.223 7.812 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.383 -4.574 8.168 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.791 -3.866 7.403 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.759 -5.622 6.575 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.791 -6.620 4.195 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.774 -5.291 5.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.765 -7.190 2.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.698 -6.043 3.460 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.202 -6.990 1.722 1.00 0.00 H new ATOM 341 N ASP A 22 64.170 -4.431 9.215 1.00 0.00 N ATOM 342 CA ASP A 22 64.919 -3.553 10.137 1.00 0.00 C ATOM 343 C ASP A 22 65.323 -2.252 9.441 1.00 0.00 C ATOM 344 O ASP A 22 66.159 -1.502 9.944 1.00 0.00 O ATOM 345 CB ASP A 22 66.165 -4.272 10.665 1.00 0.00 C ATOM 346 CG ASP A 22 65.769 -5.277 11.743 1.00 0.00 C ATOM 347 OD1 ASP A 22 65.065 -6.222 11.421 1.00 0.00 O ATOM 348 OD2 ASP A 22 66.177 -5.089 12.877 1.00 0.00 O ATOM 0 H ASP A 22 64.685 -4.709 8.380 1.00 0.00 H new ATOM 0 HA ASP A 22 64.268 -3.309 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 22 66.673 -4.784 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.868 -3.546 11.073 1.00 0.00 H new ATOM 353 N VAL A 23 64.730 -1.990 8.277 1.00 0.00 N ATOM 354 CA VAL A 23 65.035 -0.775 7.513 1.00 0.00 C ATOM 355 C VAL A 23 63.737 -0.125 7.027 1.00 0.00 C ATOM 356 O VAL A 23 62.703 -0.787 6.940 1.00 0.00 O ATOM 357 CB VAL A 23 65.931 -1.131 6.314 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.040 -2.082 6.781 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.100 -1.811 5.203 1.00 0.00 C ATOM 0 H VAL A 23 64.037 -2.599 7.841 1.00 0.00 H new ATOM 0 HA VAL A 23 65.562 -0.068 8.154 1.00 0.00 H new ATOM 0 HB VAL A 23 66.369 -0.217 5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.679 -2.339 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.636 -1.595 7.552 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.594 -2.990 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.749 -2.056 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.650 -2.724 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.314 -1.133 4.869 1.00 0.00 H new ATOM 369 N LYS A 24 63.795 1.171 6.708 1.00 0.00 N ATOM 370 CA LYS A 24 62.614 1.890 6.225 1.00 0.00 C ATOM 371 C LYS A 24 62.988 2.828 5.080 1.00 0.00 C ATOM 372 O LYS A 24 64.069 3.411 5.069 1.00 0.00 O ATOM 373 CB LYS A 24 61.985 2.691 7.372 1.00 0.00 C ATOM 374 CG LYS A 24 62.947 3.783 7.847 1.00 0.00 C ATOM 375 CD LYS A 24 62.335 4.508 9.047 1.00 0.00 C ATOM 376 CE LYS A 24 63.228 5.683 9.448 1.00 0.00 C ATOM 377 NZ LYS A 24 64.575 5.169 9.827 1.00 0.00 N ATOM 0 H LYS A 24 64.639 1.739 6.775 1.00 0.00 H new ATOM 0 HA LYS A 24 61.891 1.162 5.856 1.00 0.00 H new ATOM 0 HB2 LYS A 24 61.049 3.140 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.743 2.025 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 24 63.906 3.344 8.123 1.00 0.00 H new ATOM 0 HG3 LYS A 24 63.140 4.490 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 24 61.336 4.866 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 24 62.226 3.819 9.884 1.00 0.00 H new ATOM 0 HE2 LYS A 24 63.314 6.388 8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.784 6.224 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 65.093 5.904 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 64.469 4.327 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 65.105 4.917 8.968 1.00 0.00 H new ATOM 391 N GLU A 25 62.088 2.967 4.113 1.00 0.00 N ATOM 392 CA GLU A 25 62.347 3.833 2.968 1.00 0.00 C ATOM 393 C GLU A 25 62.871 5.192 3.426 1.00 0.00 C ATOM 394 O GLU A 25 62.370 5.768 4.392 1.00 0.00 O ATOM 395 CB GLU A 25 61.058 4.027 2.158 1.00 0.00 C ATOM 396 CG GLU A 25 61.381 4.648 0.792 1.00 0.00 C ATOM 397 CD GLU A 25 61.793 6.107 0.949 1.00 0.00 C ATOM 398 OE1 GLU A 25 61.282 6.754 1.848 1.00 0.00 O ATOM 399 OE2 GLU A 25 62.619 6.555 0.171 1.00 0.00 O ATOM 0 H GLU A 25 61.183 2.497 4.098 1.00 0.00 H new ATOM 0 HA GLU A 25 63.104 3.359 2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 25 60.558 3.068 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.369 4.671 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 25 62.184 4.088 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.510 4.579 0.140 1.00 0.00 H new ATOM 406 N GLY A 26 63.865 5.713 2.705 1.00 0.00 N ATOM 407 CA GLY A 26 64.436 7.020 3.022 1.00 0.00 C ATOM 408 C GLY A 26 65.567 6.930 4.046 1.00 0.00 C ATOM 409 O GLY A 26 66.070 7.957 4.504 1.00 0.00 O ATOM 0 H GLY A 26 64.289 5.251 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.813 7.480 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.652 7.672 3.407 1.00 0.00 H new ATOM 413 N ASP A 27 65.974 5.709 4.400 1.00 0.00 N ATOM 414 CA ASP A 27 67.056 5.519 5.378 1.00 0.00 C ATOM 415 C ASP A 27 68.336 5.049 4.691 1.00 0.00 C ATOM 416 O ASP A 27 68.291 4.364 3.670 1.00 0.00 O ATOM 417 CB ASP A 27 66.637 4.487 6.430 1.00 0.00 C ATOM 418 CG ASP A 27 66.538 3.100 5.802 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.607 3.016 4.587 1.00 0.00 O ATOM 420 OD2 ASP A 27 66.408 2.141 6.545 1.00 0.00 O ATOM 0 H ASP A 27 65.578 4.844 4.031 1.00 0.00 H new ATOM 0 HA ASP A 27 67.248 6.478 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.361 4.474 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.676 4.767 6.862 1.00 0.00 H new ATOM 425 N MET A 28 69.481 5.415 5.266 1.00 0.00 N ATOM 426 CA MET A 28 70.775 5.015 4.711 1.00 0.00 C ATOM 427 C MET A 28 71.219 3.688 5.320 1.00 0.00 C ATOM 428 O MET A 28 70.993 3.437 6.505 1.00 0.00 O ATOM 429 CB MET A 28 71.836 6.081 5.001 1.00 0.00 C ATOM 430 CG MET A 28 71.501 7.362 4.237 1.00 0.00 C ATOM 431 SD MET A 28 72.706 8.648 4.652 1.00 0.00 S ATOM 432 CE MET A 28 74.165 7.875 3.907 1.00 0.00 C ATOM 0 H MET A 28 69.540 5.984 6.110 1.00 0.00 H new ATOM 0 HA MET A 28 70.664 4.904 3.632 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.878 6.285 6.071 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.821 5.718 4.707 1.00 0.00 H new ATOM 0 HG2 MET A 28 71.512 7.171 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.495 7.696 4.491 1.00 0.00 H new ATOM 0 HE1 MET A 28 74.886 8.646 3.635 1.00 0.00 H new ATOM 0 HE2 MET A 28 74.619 7.190 4.623 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.869 7.324 3.014 1.00 0.00 H new ATOM 442 N VAL A 29 71.847 2.837 4.508 1.00 0.00 N ATOM 443 CA VAL A 29 72.315 1.525 4.973 1.00 0.00 C ATOM 444 C VAL A 29 73.827 1.402 4.808 1.00 0.00 C ATOM 445 O VAL A 29 74.372 1.734 3.758 1.00 0.00 O ATOM 446 CB VAL A 29 71.613 0.426 4.167 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.259 -0.934 4.451 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.140 0.381 4.572 1.00 0.00 C ATOM 0 H VAL A 29 72.045 3.030 3.526 1.00 0.00 H new ATOM 0 HA VAL A 29 72.076 1.418 6.031 1.00 0.00 H new ATOM 0 HB VAL A 29 71.705 0.644 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.751 -1.706 3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.312 -0.903 4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.174 -1.162 5.513 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.630 -0.398 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 29 70.062 0.164 5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.676 1.345 4.363 1.00 0.00 H new ATOM 458 N GLU A 30 74.501 0.919 5.852 1.00 0.00 N ATOM 459 CA GLU A 30 75.958 0.745 5.812 1.00 0.00 C ATOM 460 C GLU A 30 76.309 -0.724 5.570 1.00 0.00 C ATOM 461 O GLU A 30 75.509 -1.616 5.853 1.00 0.00 O ATOM 462 CB GLU A 30 76.576 1.216 7.134 1.00 0.00 C ATOM 463 CG GLU A 30 76.377 2.725 7.297 1.00 0.00 C ATOM 464 CD GLU A 30 77.161 3.483 6.229 1.00 0.00 C ATOM 465 OE1 GLU A 30 78.093 2.911 5.686 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.815 4.623 5.971 1.00 0.00 O ATOM 0 H GLU A 30 74.067 0.642 6.732 1.00 0.00 H new ATOM 0 HA GLU A 30 76.361 1.343 4.994 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.115 0.688 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.639 0.977 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 75.317 2.969 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 30 76.706 3.037 8.288 1.00 0.00 H new ATOM 473 N LYS A 31 77.506 -0.961 5.039 1.00 0.00 N ATOM 474 CA LYS A 31 77.964 -2.319 4.743 1.00 0.00 C ATOM 475 C LYS A 31 78.138 -3.149 6.019 1.00 0.00 C ATOM 476 O LYS A 31 78.707 -2.674 7.002 1.00 0.00 O ATOM 477 CB LYS A 31 79.308 -2.251 3.999 1.00 0.00 C ATOM 478 CG LYS A 31 79.719 -3.649 3.532 1.00 0.00 C ATOM 479 CD LYS A 31 81.015 -3.559 2.723 1.00 0.00 C ATOM 480 CE LYS A 31 81.410 -4.955 2.240 1.00 0.00 C ATOM 481 NZ LYS A 31 82.646 -4.866 1.414 1.00 0.00 N ATOM 0 H LYS A 31 78.178 -0.231 4.804 1.00 0.00 H new ATOM 0 HA LYS A 31 77.207 -2.802 4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.225 -1.582 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 31 80.075 -1.837 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.860 -4.304 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.928 -4.087 2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.880 -2.892 1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.811 -3.136 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 31 81.577 -5.612 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 31 80.600 -5.391 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.914 -5.816 1.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.471 -4.253 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 83.418 -4.467 1.986 1.00 0.00 H new ATOM 495 N ASP A 32 77.662 -4.398 5.976 1.00 0.00 N ATOM 496 CA ASP A 32 77.787 -5.316 7.111 1.00 0.00 C ATOM 497 C ASP A 32 77.142 -4.761 8.379 1.00 0.00 C ATOM 498 O ASP A 32 77.631 -5.003 9.482 1.00 0.00 O ATOM 499 CB ASP A 32 79.266 -5.610 7.380 1.00 0.00 C ATOM 500 CG ASP A 32 79.847 -6.452 6.249 1.00 0.00 C ATOM 501 OD1 ASP A 32 79.072 -6.984 5.471 1.00 0.00 O ATOM 502 OD2 ASP A 32 81.061 -6.552 6.178 1.00 0.00 O ATOM 0 H ASP A 32 77.186 -4.796 5.166 1.00 0.00 H new ATOM 0 HA ASP A 32 77.261 -6.233 6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.820 -4.676 7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.374 -6.137 8.328 1.00 0.00 H new ATOM 507 N GLN A 33 76.045 -4.020 8.227 1.00 0.00 N ATOM 508 CA GLN A 33 75.354 -3.444 9.385 1.00 0.00 C ATOM 509 C GLN A 33 73.841 -3.435 9.164 1.00 0.00 C ATOM 510 O GLN A 33 73.289 -2.455 8.662 1.00 0.00 O ATOM 511 CB GLN A 33 75.848 -2.014 9.600 1.00 0.00 C ATOM 512 CG GLN A 33 75.165 -1.397 10.822 1.00 0.00 C ATOM 513 CD GLN A 33 75.792 -0.041 11.130 1.00 0.00 C ATOM 514 OE1 GLN A 33 76.888 0.257 10.658 1.00 0.00 O ATOM 515 NE2 GLN A 33 75.159 0.802 11.898 1.00 0.00 N ATOM 0 H GLN A 33 75.618 -3.805 7.326 1.00 0.00 H new ATOM 0 HA GLN A 33 75.570 -4.052 10.264 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.929 -2.012 9.739 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.639 -1.413 8.715 1.00 0.00 H new ATOM 0 HG2 GLN A 33 74.098 -1.281 10.634 1.00 0.00 H new ATOM 0 HG3 GLN A 33 75.267 -2.060 11.681 1.00 0.00 H new ATOM 0 HE21 GLN A 33 74.250 0.553 12.288 1.00 0.00 H new ATOM 0 HE22 GLN A 33 75.573 1.710 12.108 1.00 0.00 H new ATOM 524 N ASP A 34 73.169 -4.529 9.536 1.00 0.00 N ATOM 525 CA ASP A 34 71.724 -4.617 9.362 1.00 0.00 C ATOM 526 C ASP A 34 71.180 -5.877 10.024 1.00 0.00 C ATOM 527 O ASP A 34 71.940 -6.745 10.453 1.00 0.00 O ATOM 528 CB ASP A 34 71.373 -4.635 7.873 1.00 0.00 C ATOM 529 CG ASP A 34 69.876 -4.410 7.686 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.265 -3.841 8.577 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.362 -4.806 6.652 1.00 0.00 O ATOM 0 H ASP A 34 73.600 -5.354 9.954 1.00 0.00 H new ATOM 0 HA ASP A 34 71.270 -3.744 9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.933 -3.860 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.663 -5.590 7.434 1.00 0.00 H new ATOM 536 N LEU A 35 69.855 -5.975 10.097 1.00 0.00 N ATOM 537 CA LEU A 35 69.202 -7.138 10.702 1.00 0.00 C ATOM 538 C LEU A 35 67.970 -7.536 9.900 1.00 0.00 C ATOM 539 O LEU A 35 66.859 -7.097 10.185 1.00 0.00 O ATOM 540 CB LEU A 35 68.791 -6.838 12.145 1.00 0.00 C ATOM 541 CG LEU A 35 70.031 -6.734 13.047 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.605 -6.163 14.402 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.675 -8.122 13.251 1.00 0.00 C ATOM 0 H LEU A 35 69.211 -5.266 9.746 1.00 0.00 H new ATOM 0 HA LEU A 35 69.916 -7.962 10.698 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.227 -5.906 12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.132 -7.624 12.513 1.00 0.00 H new ATOM 0 HG LEU A 35 70.765 -6.081 12.574 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.475 -6.083 15.053 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.167 -5.175 14.259 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.869 -6.823 14.860 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.551 -8.026 13.892 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.954 -8.792 13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.975 -8.529 12.286 1.00 0.00 H new ATOM 555 N VAL A 36 68.184 -8.389 8.904 1.00 0.00 N ATOM 556 CA VAL A 36 67.098 -8.879 8.049 1.00 0.00 C ATOM 557 C VAL A 36 66.989 -10.395 8.185 1.00 0.00 C ATOM 558 O VAL A 36 67.990 -11.107 8.109 1.00 0.00 O ATOM 559 CB VAL A 36 67.366 -8.470 6.575 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.878 -8.354 6.338 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.787 -9.520 5.605 1.00 0.00 C ATOM 0 H VAL A 36 69.104 -8.760 8.665 1.00 0.00 H new ATOM 0 HA VAL A 36 66.153 -8.434 8.360 1.00 0.00 H new ATOM 0 HB VAL A 36 66.883 -7.510 6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.063 -8.067 5.303 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.294 -7.598 7.004 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.352 -9.315 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 36 66.985 -9.215 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.255 -10.486 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.711 -9.602 5.758 1.00 0.00 H new ATOM 571 N GLU A 37 65.760 -10.883 8.360 1.00 0.00 N ATOM 572 CA GLU A 37 65.522 -12.324 8.481 1.00 0.00 C ATOM 573 C GLU A 37 64.532 -12.785 7.417 1.00 0.00 C ATOM 574 O GLU A 37 63.426 -12.252 7.312 1.00 0.00 O ATOM 575 CB GLU A 37 64.965 -12.661 9.867 1.00 0.00 C ATOM 576 CG GLU A 37 66.044 -12.434 10.925 1.00 0.00 C ATOM 577 CD GLU A 37 65.477 -12.697 12.317 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.305 -13.024 12.405 1.00 0.00 O ATOM 579 OE2 GLU A 37 66.225 -12.573 13.272 1.00 0.00 O ATOM 0 H GLU A 37 64.920 -10.308 8.421 1.00 0.00 H new ATOM 0 HA GLU A 37 66.473 -12.839 8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 37 64.096 -12.039 10.081 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.630 -13.698 9.892 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.892 -13.093 10.739 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.416 -11.411 10.863 1.00 0.00 H new ATOM 586 N VAL A 38 64.937 -13.779 6.625 1.00 0.00 N ATOM 587 CA VAL A 38 64.090 -14.316 5.563 1.00 0.00 C ATOM 588 C VAL A 38 63.868 -15.813 5.771 1.00 0.00 C ATOM 589 O VAL A 38 64.686 -16.491 6.398 1.00 0.00 O ATOM 590 CB VAL A 38 64.764 -14.085 4.209 1.00 0.00 C ATOM 591 CG1 VAL A 38 64.932 -12.585 3.969 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.136 -14.759 4.197 1.00 0.00 C ATOM 0 H VAL A 38 65.849 -14.229 6.701 1.00 0.00 H new ATOM 0 HA VAL A 38 63.126 -13.808 5.587 1.00 0.00 H new ATOM 0 HB VAL A 38 64.143 -14.511 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.412 -12.422 3.004 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.954 -12.104 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.550 -12.157 4.758 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.614 -14.593 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.756 -14.335 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.017 -15.830 4.364 1.00 0.00 H new ATOM 602 N MET A 39 62.754 -16.321 5.239 1.00 0.00 N ATOM 603 CA MET A 39 62.423 -17.748 5.363 1.00 0.00 C ATOM 604 C MET A 39 62.629 -18.454 4.029 1.00 0.00 C ATOM 605 O MET A 39 62.516 -17.840 2.967 1.00 0.00 O ATOM 606 CB MET A 39 60.969 -17.912 5.799 1.00 0.00 C ATOM 607 CG MET A 39 60.662 -19.390 6.065 1.00 0.00 C ATOM 608 SD MET A 39 58.939 -19.550 6.590 1.00 0.00 S ATOM 609 CE MET A 39 58.217 -19.737 4.940 1.00 0.00 C ATOM 0 H MET A 39 62.068 -15.772 4.721 1.00 0.00 H new ATOM 0 HA MET A 39 63.080 -18.192 6.111 1.00 0.00 H new ATOM 0 HB2 MET A 39 60.783 -17.326 6.699 1.00 0.00 H new ATOM 0 HB3 MET A 39 60.304 -17.528 5.026 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.837 -19.979 5.164 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.328 -19.780 6.835 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.130 -19.710 5.013 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.558 -18.923 4.299 1.00 0.00 H new ATOM 0 HE3 MET A 39 58.528 -20.690 4.512 1.00 0.00 H new ATOM 619 N THR A 40 62.926 -19.749 4.088 1.00 0.00 N ATOM 620 CA THR A 40 63.143 -20.536 2.876 1.00 0.00 C ATOM 621 C THR A 40 62.684 -21.975 3.085 1.00 0.00 C ATOM 622 O THR A 40 62.040 -22.567 2.218 1.00 0.00 O ATOM 623 CB THR A 40 64.631 -20.512 2.513 1.00 0.00 C ATOM 624 OG1 THR A 40 64.960 -21.670 1.759 1.00 0.00 O ATOM 625 CG2 THR A 40 65.474 -20.480 3.790 1.00 0.00 C ATOM 0 H THR A 40 63.022 -20.274 4.957 1.00 0.00 H new ATOM 0 HA THR A 40 62.561 -20.102 2.063 1.00 0.00 H new ATOM 0 HB THR A 40 64.839 -19.622 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 40 65.912 -21.650 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 40 66.532 -20.463 3.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 65.229 -19.588 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 40 65.263 -21.367 4.388 1.00 0.00 H new ATOM 633 N ASP A 41 63.014 -22.525 4.250 1.00 0.00 N ATOM 634 CA ASP A 41 62.629 -23.900 4.594 1.00 0.00 C ATOM 635 C ASP A 41 62.113 -23.952 6.031 1.00 0.00 C ATOM 636 O ASP A 41 62.551 -24.787 6.821 1.00 0.00 O ATOM 637 CB ASP A 41 63.841 -24.827 4.457 1.00 0.00 C ATOM 638 CG ASP A 41 64.163 -25.047 2.983 1.00 0.00 C ATOM 639 OD1 ASP A 41 63.377 -24.618 2.153 1.00 0.00 O ATOM 640 OD2 ASP A 41 65.193 -25.639 2.705 1.00 0.00 O ATOM 0 H ASP A 41 63.547 -22.044 4.975 1.00 0.00 H new ATOM 0 HA ASP A 41 61.842 -24.227 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 64.702 -24.392 4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 41 63.635 -25.782 4.940 1.00 0.00 H new ATOM 645 N LYS A 42 61.198 -23.042 6.370 1.00 0.00 N ATOM 646 CA LYS A 42 60.652 -22.990 7.721 1.00 0.00 C ATOM 647 C LYS A 42 61.779 -22.823 8.731 1.00 0.00 C ATOM 648 O LYS A 42 61.796 -23.472 9.777 1.00 0.00 O ATOM 649 CB LYS A 42 59.863 -24.267 8.027 1.00 0.00 C ATOM 650 CG LYS A 42 58.624 -24.325 7.132 1.00 0.00 C ATOM 651 CD LYS A 42 57.824 -25.588 7.452 1.00 0.00 C ATOM 652 CE LYS A 42 56.598 -25.672 6.542 1.00 0.00 C ATOM 653 NZ LYS A 42 55.813 -26.891 6.886 1.00 0.00 N ATOM 0 H LYS A 42 60.824 -22.339 5.732 1.00 0.00 H new ATOM 0 HA LYS A 42 59.978 -22.136 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 42 60.489 -25.143 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.568 -24.283 9.076 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.007 -23.441 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.920 -24.325 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 42 58.450 -26.470 7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.512 -25.577 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.980 -24.782 6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 42 56.908 -25.707 5.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.978 -26.952 6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 56.405 -27.735 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.507 -26.838 7.879 1.00 0.00 H new ATOM 667 N VAL A 43 62.718 -21.937 8.404 1.00 0.00 N ATOM 668 CA VAL A 43 63.858 -21.661 9.280 1.00 0.00 C ATOM 669 C VAL A 43 64.268 -20.197 9.167 1.00 0.00 C ATOM 670 O VAL A 43 64.060 -19.562 8.133 1.00 0.00 O ATOM 671 CB VAL A 43 65.050 -22.576 8.949 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.512 -22.388 7.494 1.00 0.00 C ATOM 673 CG2 VAL A 43 66.215 -22.245 9.888 1.00 0.00 C ATOM 0 H VAL A 43 62.713 -21.397 7.539 1.00 0.00 H new ATOM 0 HA VAL A 43 63.552 -21.866 10.306 1.00 0.00 H new ATOM 0 HB VAL A 43 64.733 -23.611 9.080 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.355 -23.048 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 43 64.692 -22.629 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.817 -21.353 7.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 67.063 -22.891 9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 43 66.506 -21.203 9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.907 -22.406 10.921 1.00 0.00 H new ATOM 683 N THR A 44 64.846 -19.668 10.242 1.00 0.00 N ATOM 684 CA THR A 44 65.285 -18.270 10.262 1.00 0.00 C ATOM 685 C THR A 44 66.768 -18.194 9.913 1.00 0.00 C ATOM 686 O THR A 44 67.609 -18.745 10.626 1.00 0.00 O ATOM 687 CB THR A 44 65.059 -17.675 11.662 1.00 0.00 C ATOM 688 OG1 THR A 44 63.807 -18.118 12.164 1.00 0.00 O ATOM 689 CG2 THR A 44 65.064 -16.144 11.595 1.00 0.00 C ATOM 0 H THR A 44 65.022 -20.180 11.107 1.00 0.00 H new ATOM 0 HA THR A 44 64.709 -17.703 9.530 1.00 0.00 H new ATOM 0 HB THR A 44 65.862 -18.004 12.321 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.661 -17.742 13.057 1.00 0.00 H new ATOM 0 HG21 THR A 44 64.903 -15.736 12.593 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.025 -15.800 11.213 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.268 -15.806 10.932 1.00 0.00 H new ATOM 697 N VAL A 45 67.084 -17.512 8.816 1.00 0.00 N ATOM 698 CA VAL A 45 68.475 -17.365 8.372 1.00 0.00 C ATOM 699 C VAL A 45 68.816 -15.896 8.138 1.00 0.00 C ATOM 700 O VAL A 45 68.074 -15.166 7.480 1.00 0.00 O ATOM 701 CB VAL A 45 68.705 -18.164 7.087 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.558 -19.659 7.377 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.688 -17.752 6.023 1.00 0.00 C ATOM 0 H VAL A 45 66.400 -17.051 8.216 1.00 0.00 H new ATOM 0 HA VAL A 45 69.127 -17.751 9.156 1.00 0.00 H new ATOM 0 HB VAL A 45 69.711 -17.959 6.720 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.722 -20.225 6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.292 -19.958 8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.555 -19.860 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.861 -18.326 5.113 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.680 -17.946 6.389 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.797 -16.689 5.807 1.00 0.00 H new ATOM 713 N LYS A 46 69.951 -15.473 8.699 1.00 0.00 N ATOM 714 CA LYS A 46 70.414 -14.089 8.576 1.00 0.00 C ATOM 715 C LYS A 46 71.340 -13.925 7.376 1.00 0.00 C ATOM 716 O LYS A 46 72.186 -14.777 7.106 1.00 0.00 O ATOM 717 CB LYS A 46 71.147 -13.680 9.857 1.00 0.00 C ATOM 718 CG LYS A 46 71.610 -12.221 9.754 1.00 0.00 C ATOM 719 CD LYS A 46 72.315 -11.820 11.051 1.00 0.00 C ATOM 720 CE LYS A 46 72.798 -10.372 10.940 1.00 0.00 C ATOM 721 NZ LYS A 46 71.702 -9.525 10.390 1.00 0.00 N ATOM 0 H LYS A 46 70.569 -16.073 9.246 1.00 0.00 H new ATOM 0 HA LYS A 46 69.547 -13.446 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.488 -13.801 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.005 -14.332 10.018 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.286 -12.101 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.756 -11.568 9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.634 -11.924 11.895 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.159 -12.483 11.239 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.102 -10.002 11.919 1.00 0.00 H new ATOM 0 HE3 LYS A 46 73.674 -10.318 10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 71.875 -8.530 10.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.672 -9.625 9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 70.793 -9.828 10.794 1.00 0.00 H new ATOM 735 N ILE A 47 71.167 -12.810 6.661 1.00 0.00 N ATOM 736 CA ILE A 47 71.986 -12.508 5.479 1.00 0.00 C ATOM 737 C ILE A 47 72.452 -11.037 5.519 1.00 0.00 C ATOM 738 O ILE A 47 71.640 -10.152 5.793 1.00 0.00 O ATOM 739 CB ILE A 47 71.159 -12.744 4.209 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.657 -14.190 4.190 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.022 -12.510 2.965 1.00 0.00 C ATOM 742 CD1 ILE A 47 69.683 -14.370 3.024 1.00 0.00 C ATOM 0 H ILE A 47 70.468 -12.100 6.878 1.00 0.00 H new ATOM 0 HA ILE A 47 72.859 -13.160 5.476 1.00 0.00 H new ATOM 0 HB ILE A 47 70.318 -12.051 4.205 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.497 -14.878 4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.163 -14.428 5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.424 -12.681 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.390 -11.484 2.965 1.00 0.00 H new ATOM 0 HG23 ILE A 47 72.867 -13.199 2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.323 -15.399 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 47 68.839 -13.692 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.193 -14.148 2.086 1.00 0.00 H new ATOM 754 N PRO A 48 73.713 -10.735 5.234 1.00 0.00 N ATOM 755 CA PRO A 48 74.204 -9.317 5.237 1.00 0.00 C ATOM 756 C PRO A 48 73.322 -8.393 4.385 1.00 0.00 C ATOM 757 O PRO A 48 72.761 -8.813 3.373 1.00 0.00 O ATOM 758 CB PRO A 48 75.629 -9.409 4.651 1.00 0.00 C ATOM 759 CG PRO A 48 76.067 -10.823 4.871 1.00 0.00 C ATOM 760 CD PRO A 48 74.801 -11.682 4.907 1.00 0.00 C ATOM 0 HA PRO A 48 74.181 -8.886 6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 48 75.633 -9.158 3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.302 -8.709 5.146 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.732 -11.150 4.072 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.622 -10.914 5.805 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.626 -12.170 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.878 -12.470 5.656 1.00 0.00 H new ATOM 768 N SER A 49 73.195 -7.137 4.826 1.00 0.00 N ATOM 769 CA SER A 49 72.374 -6.144 4.129 1.00 0.00 C ATOM 770 C SER A 49 72.490 -6.289 2.605 1.00 0.00 C ATOM 771 O SER A 49 73.380 -6.974 2.101 1.00 0.00 O ATOM 772 CB SER A 49 72.807 -4.727 4.562 1.00 0.00 C ATOM 773 OG SER A 49 73.238 -3.983 3.427 1.00 0.00 O ATOM 0 H SER A 49 73.653 -6.784 5.666 1.00 0.00 H new ATOM 0 HA SER A 49 71.331 -6.310 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 49 71.976 -4.216 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.613 -4.791 5.293 1.00 0.00 H new ATOM 0 HG SER A 49 73.657 -3.148 3.723 1.00 0.00 H new ATOM 779 N PRO A 50 71.605 -5.653 1.872 1.00 0.00 N ATOM 780 CA PRO A 50 71.590 -5.712 0.378 1.00 0.00 C ATOM 781 C PRO A 50 72.626 -4.779 -0.273 1.00 0.00 C ATOM 782 O PRO A 50 72.292 -4.017 -1.178 1.00 0.00 O ATOM 783 CB PRO A 50 70.162 -5.268 0.045 1.00 0.00 C ATOM 784 CG PRO A 50 69.830 -4.281 1.111 1.00 0.00 C ATOM 785 CD PRO A 50 70.523 -4.791 2.384 1.00 0.00 C ATOM 0 HA PRO A 50 71.853 -6.700 -0.001 1.00 0.00 H new ATOM 0 HB2 PRO A 50 70.105 -4.818 -0.946 1.00 0.00 H new ATOM 0 HB3 PRO A 50 69.471 -6.111 0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 50 70.184 -3.285 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 50 68.752 -4.209 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 50 70.915 -3.969 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 50 69.834 -5.348 3.019 1.00 0.00 H new ATOM 793 N VAL A 51 73.884 -4.848 0.186 1.00 0.00 N ATOM 794 CA VAL A 51 74.958 -4.009 -0.380 1.00 0.00 C ATOM 795 C VAL A 51 74.749 -2.523 -0.043 1.00 0.00 C ATOM 796 O VAL A 51 73.744 -1.925 -0.425 1.00 0.00 O ATOM 797 CB VAL A 51 75.031 -4.207 -1.909 1.00 0.00 C ATOM 798 CG1 VAL A 51 76.353 -3.648 -2.447 1.00 0.00 C ATOM 799 CG2 VAL A 51 74.965 -5.707 -2.223 1.00 0.00 C ATOM 0 H VAL A 51 74.184 -5.468 0.939 1.00 0.00 H new ATOM 0 HA VAL A 51 75.901 -4.320 0.068 1.00 0.00 H new ATOM 0 HB VAL A 51 74.198 -3.684 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 51 76.396 -3.792 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.417 -2.584 -2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.187 -4.170 -1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.016 -5.856 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 51 75.803 -6.216 -1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.029 -6.117 -1.844 1.00 0.00 H new ATOM 809 N ARG A 52 75.718 -1.940 0.676 1.00 0.00 N ATOM 810 CA ARG A 52 75.663 -0.533 1.072 1.00 0.00 C ATOM 811 C ARG A 52 75.289 0.371 -0.101 1.00 0.00 C ATOM 812 O ARG A 52 75.806 0.222 -1.209 1.00 0.00 O ATOM 813 CB ARG A 52 77.040 -0.136 1.627 1.00 0.00 C ATOM 814 CG ARG A 52 77.132 1.374 1.880 1.00 0.00 C ATOM 815 CD ARG A 52 78.478 1.685 2.535 1.00 0.00 C ATOM 816 NE ARG A 52 79.569 1.412 1.608 1.00 0.00 N ATOM 817 CZ ARG A 52 80.837 1.516 1.992 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.116 1.853 3.222 1.00 0.00 N ATOM 819 NH2 ARG A 52 81.798 1.268 1.146 1.00 0.00 N ATOM 0 H ARG A 52 76.554 -2.429 0.996 1.00 0.00 H new ATOM 0 HA ARG A 52 74.891 -0.408 1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.227 -0.673 2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.817 -0.436 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.034 1.920 0.942 1.00 0.00 H new ATOM 0 HG3 ARG A 52 76.315 1.699 2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 52 78.507 2.730 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 52 78.599 1.084 3.436 1.00 0.00 H new ATOM 0 HE ARG A 52 79.356 1.137 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.362 2.035 3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 52 82.088 1.934 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 52 81.577 0.994 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.771 1.348 1.442 1.00 0.00 H new ATOM 833 N GLY A 53 74.387 1.318 0.163 1.00 0.00 N ATOM 834 CA GLY A 53 73.942 2.257 -0.861 1.00 0.00 C ATOM 835 C GLY A 53 72.758 3.083 -0.353 1.00 0.00 C ATOM 836 O GLY A 53 72.728 3.471 0.813 1.00 0.00 O ATOM 0 H GLY A 53 73.953 1.453 1.076 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.763 2.919 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.654 1.713 -1.761 1.00 0.00 H new ATOM 840 N LYS A 54 71.784 3.354 -1.231 1.00 0.00 N ATOM 841 CA LYS A 54 70.600 4.140 -0.847 1.00 0.00 C ATOM 842 C LYS A 54 69.319 3.353 -1.127 1.00 0.00 C ATOM 843 O LYS A 54 69.243 2.604 -2.099 1.00 0.00 O ATOM 844 CB LYS A 54 70.575 5.456 -1.638 1.00 0.00 C ATOM 845 CG LYS A 54 71.749 6.338 -1.196 1.00 0.00 C ATOM 846 CD LYS A 54 71.817 7.603 -2.065 1.00 0.00 C ATOM 847 CE LYS A 54 70.787 8.633 -1.588 1.00 0.00 C ATOM 848 NZ LYS A 54 70.993 9.910 -2.329 1.00 0.00 N ATOM 0 H LYS A 54 71.789 3.045 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 54 70.655 4.353 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.641 5.252 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.632 5.976 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.632 6.614 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.683 5.781 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 54 72.818 8.031 -2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 54 71.629 7.347 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 54 69.777 8.260 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 54 70.891 8.800 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 70.297 10.613 -2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 71.953 10.266 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 70.873 9.743 -3.349 1.00 0.00 H new ATOM 862 N ILE A 55 68.313 3.527 -0.263 1.00 0.00 N ATOM 863 CA ILE A 55 67.032 2.827 -0.419 1.00 0.00 C ATOM 864 C ILE A 55 66.002 3.781 -1.034 1.00 0.00 C ATOM 865 O ILE A 55 65.728 4.845 -0.480 1.00 0.00 O ATOM 866 CB ILE A 55 66.543 2.357 0.962 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.731 1.842 1.791 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.516 1.231 0.804 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.483 0.738 1.041 1.00 0.00 C ATOM 0 H ILE A 55 68.360 4.144 0.548 1.00 0.00 H new ATOM 0 HA ILE A 55 67.159 1.965 -1.074 1.00 0.00 H new ATOM 0 HB ILE A 55 66.079 3.201 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.410 2.666 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.374 1.459 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.177 0.907 1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.664 1.593 0.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.975 0.391 0.283 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.319 0.390 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.807 -0.094 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.859 1.131 0.097 1.00 0.00 H new ATOM 881 N VAL A 56 65.453 3.419 -2.195 1.00 0.00 N ATOM 882 CA VAL A 56 64.481 4.286 -2.877 1.00 0.00 C ATOM 883 C VAL A 56 63.030 3.959 -2.498 1.00 0.00 C ATOM 884 O VAL A 56 62.261 4.863 -2.170 1.00 0.00 O ATOM 885 CB VAL A 56 64.667 4.174 -4.403 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.456 4.763 -5.141 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.926 4.940 -4.818 1.00 0.00 C ATOM 0 H VAL A 56 65.658 2.545 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 56 64.672 5.308 -2.551 1.00 0.00 H new ATOM 0 HB VAL A 56 64.763 3.120 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.607 4.674 -6.217 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.556 4.219 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.344 5.814 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.060 4.862 -5.897 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.822 5.989 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.793 4.515 -4.313 1.00 0.00 H new ATOM 897 N LYS A 57 62.632 2.691 -2.590 1.00 0.00 N ATOM 898 CA LYS A 57 61.242 2.330 -2.292 1.00 0.00 C ATOM 899 C LYS A 57 61.118 0.875 -1.848 1.00 0.00 C ATOM 900 O LYS A 57 61.995 0.054 -2.122 1.00 0.00 O ATOM 901 CB LYS A 57 60.390 2.570 -3.546 1.00 0.00 C ATOM 902 CG LYS A 57 58.904 2.374 -3.231 1.00 0.00 C ATOM 903 CD LYS A 57 58.077 2.725 -4.470 1.00 0.00 C ATOM 904 CE LYS A 57 56.589 2.561 -4.156 1.00 0.00 C ATOM 905 NZ LYS A 57 55.788 2.941 -5.354 1.00 0.00 N ATOM 0 H LYS A 57 63.233 1.912 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 57 60.890 2.952 -1.469 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.558 3.580 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.694 1.883 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.716 1.342 -2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.611 3.006 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.283 3.750 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.357 2.079 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.377 1.530 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.314 3.186 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.775 2.831 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.984 3.932 -5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 56.045 2.326 -6.153 1.00 0.00 H new ATOM 919 N ILE A 58 60.017 0.568 -1.156 1.00 0.00 N ATOM 920 CA ILE A 58 59.756 -0.782 -0.659 1.00 0.00 C ATOM 921 C ILE A 58 58.649 -1.445 -1.484 1.00 0.00 C ATOM 922 O ILE A 58 57.611 -0.840 -1.747 1.00 0.00 O ATOM 923 CB ILE A 58 59.356 -0.698 0.826 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.664 -2.029 1.526 1.00 0.00 C ATOM 925 CG2 ILE A 58 57.864 -0.350 0.966 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.959 -2.095 2.888 1.00 0.00 C ATOM 0 H ILE A 58 59.288 1.244 -0.927 1.00 0.00 H new ATOM 0 HA ILE A 58 60.655 -1.391 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 58 59.936 0.093 1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.338 -2.860 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.740 -2.135 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.601 -0.295 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.669 0.612 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.264 -1.120 0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.188 -3.045 3.371 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.306 -1.275 3.517 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.882 -2.011 2.745 1.00 0.00 H new ATOM 938 N LEU A 59 58.884 -2.691 -1.901 1.00 0.00 N ATOM 939 CA LEU A 59 57.905 -3.431 -2.711 1.00 0.00 C ATOM 940 C LEU A 59 57.259 -4.571 -1.909 1.00 0.00 C ATOM 941 O LEU A 59 56.153 -5.004 -2.231 1.00 0.00 O ATOM 942 CB LEU A 59 58.603 -3.995 -3.980 1.00 0.00 C ATOM 943 CG LEU A 59 58.214 -3.192 -5.239 1.00 0.00 C ATOM 944 CD1 LEU A 59 58.777 -1.769 -5.171 1.00 0.00 C ATOM 945 CD2 LEU A 59 58.781 -3.897 -6.474 1.00 0.00 C ATOM 0 H LEU A 59 59.738 -3.209 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 59 57.112 -2.743 -3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.684 -3.964 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 58.328 -5.041 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 59 57.127 -3.135 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 59 58.491 -1.221 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 59 58.378 -1.261 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 59 59.864 -1.811 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.511 -3.336 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.867 -3.953 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 59 58.370 -4.904 -6.539 1.00 0.00 H new ATOM 957 N TYR A 60 57.955 -5.063 -0.878 1.00 0.00 N ATOM 958 CA TYR A 60 57.437 -6.167 -0.057 1.00 0.00 C ATOM 959 C TYR A 60 57.020 -5.682 1.332 1.00 0.00 C ATOM 960 O TYR A 60 57.679 -4.834 1.932 1.00 0.00 O ATOM 961 CB TYR A 60 58.513 -7.259 0.073 1.00 0.00 C ATOM 962 CG TYR A 60 58.537 -8.103 -1.196 1.00 0.00 C ATOM 963 CD1 TYR A 60 58.928 -7.525 -2.414 1.00 0.00 C ATOM 964 CD2 TYR A 60 58.165 -9.460 -1.154 1.00 0.00 C ATOM 965 CE1 TYR A 60 58.944 -8.298 -3.583 1.00 0.00 C ATOM 966 CE2 TYR A 60 58.184 -10.225 -2.325 1.00 0.00 C ATOM 967 CZ TYR A 60 58.572 -9.646 -3.538 1.00 0.00 C ATOM 968 OH TYR A 60 58.579 -10.404 -4.691 1.00 0.00 O ATOM 0 H TYR A 60 58.872 -4.718 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 60 56.554 -6.573 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.490 -6.804 0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.304 -7.889 0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.216 -6.485 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.865 -9.910 -0.219 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.244 -7.852 -4.520 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.898 -11.266 -2.293 1.00 0.00 H new ATOM 0 HH TYR A 60 58.295 -11.319 -4.483 1.00 0.00 H new ATOM 978 N ARG A 61 55.912 -6.239 1.834 1.00 0.00 N ATOM 979 CA ARG A 61 55.389 -5.879 3.157 1.00 0.00 C ATOM 980 C ARG A 61 55.339 -7.107 4.061 1.00 0.00 C ATOM 981 O ARG A 61 55.421 -8.245 3.595 1.00 0.00 O ATOM 982 CB ARG A 61 53.989 -5.277 3.022 1.00 0.00 C ATOM 983 CG ARG A 61 54.070 -3.979 2.215 1.00 0.00 C ATOM 984 CD ARG A 61 52.666 -3.406 2.024 1.00 0.00 C ATOM 985 NE ARG A 61 51.873 -4.294 1.181 1.00 0.00 N ATOM 986 CZ ARG A 61 50.600 -4.030 0.909 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.022 -2.981 1.427 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.921 -4.837 0.141 1.00 0.00 N ATOM 0 H ARG A 61 55.359 -6.942 1.343 1.00 0.00 H new ATOM 0 HA ARG A 61 56.054 -5.140 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.323 -5.984 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.569 -5.079 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.702 -3.256 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.531 -4.170 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 61 52.181 -3.281 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.727 -2.418 1.568 1.00 0.00 H new ATOM 0 HE ARG A 61 52.304 -5.133 0.793 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.548 -2.361 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.044 -2.781 1.216 1.00 0.00 H new ATOM 0 HH21 ARG A 61 50.368 -5.667 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.943 -4.638 -0.070 1.00 0.00 H new ATOM 1002 N GLU A 62 55.232 -6.862 5.361 1.00 0.00 N ATOM 1003 CA GLU A 62 55.203 -7.940 6.347 1.00 0.00 C ATOM 1004 C GLU A 62 54.084 -8.946 6.070 1.00 0.00 C ATOM 1005 O GLU A 62 52.940 -8.566 5.823 1.00 0.00 O ATOM 1006 CB GLU A 62 54.988 -7.356 7.750 1.00 0.00 C ATOM 1007 CG GLU A 62 56.132 -6.393 8.111 1.00 0.00 C ATOM 1008 CD GLU A 62 55.859 -4.999 7.544 1.00 0.00 C ATOM 1009 OE1 GLU A 62 54.875 -4.848 6.837 1.00 0.00 O ATOM 1010 OE2 GLU A 62 56.636 -4.102 7.827 1.00 0.00 O ATOM 0 H GLU A 62 55.164 -5.926 5.759 1.00 0.00 H new ATOM 0 HA GLU A 62 56.160 -8.458 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.035 -6.829 7.789 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.938 -8.162 8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 62 56.239 -6.337 9.194 1.00 0.00 H new ATOM 0 HG3 GLU A 62 57.074 -6.774 7.717 1.00 0.00 H new ATOM 1017 N GLY A 63 54.420 -10.234 6.159 1.00 0.00 N ATOM 1018 CA GLY A 63 53.419 -11.294 5.962 1.00 0.00 C ATOM 1019 C GLY A 63 53.231 -11.670 4.492 1.00 0.00 C ATOM 1020 O GLY A 63 52.360 -12.477 4.169 1.00 0.00 O ATOM 0 H GLY A 63 55.362 -10.569 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.720 -12.179 6.522 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.464 -10.966 6.373 1.00 0.00 H new ATOM 1024 N GLN A 64 54.034 -11.097 3.600 1.00 0.00 N ATOM 1025 CA GLN A 64 53.903 -11.413 2.175 1.00 0.00 C ATOM 1026 C GLN A 64 54.646 -12.694 1.806 1.00 0.00 C ATOM 1027 O GLN A 64 55.795 -12.898 2.191 1.00 0.00 O ATOM 1028 CB GLN A 64 54.428 -10.270 1.306 1.00 0.00 C ATOM 1029 CG GLN A 64 53.465 -9.086 1.364 1.00 0.00 C ATOM 1030 CD GLN A 64 53.914 -8.010 0.383 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.889 -8.201 -0.339 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.250 -6.889 0.309 1.00 0.00 N ATOM 0 H GLN A 64 54.768 -10.426 3.828 1.00 0.00 H new ATOM 0 HA GLN A 64 52.839 -11.556 1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.415 -9.964 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.541 -10.608 0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.455 -9.415 1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.433 -8.680 2.375 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.441 -6.735 0.911 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.540 -6.167 -0.350 1.00 0.00 H new ATOM 1041 N VAL A 65 53.976 -13.532 1.014 1.00 0.00 N ATOM 1042 CA VAL A 65 54.559 -14.786 0.527 1.00 0.00 C ATOM 1043 C VAL A 65 54.572 -14.731 -0.999 1.00 0.00 C ATOM 1044 O VAL A 65 53.534 -14.484 -1.613 1.00 0.00 O ATOM 1045 CB VAL A 65 53.699 -15.979 0.967 1.00 0.00 C ATOM 1046 CG1 VAL A 65 54.189 -17.257 0.274 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.748 -16.162 2.490 1.00 0.00 C ATOM 0 H VAL A 65 53.022 -13.364 0.693 1.00 0.00 H new ATOM 0 HA VAL A 65 55.565 -14.907 0.930 1.00 0.00 H new ATOM 0 HB VAL A 65 52.667 -15.781 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 53.575 -18.100 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 65 54.112 -17.137 -0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 65 55.228 -17.443 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.130 -17.014 2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.777 -16.340 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 65 53.372 -15.262 2.977 1.00 0.00 H new ATOM 1057 N VAL A 66 55.730 -14.961 -1.618 1.00 0.00 N ATOM 1058 CA VAL A 66 55.820 -14.919 -3.084 1.00 0.00 C ATOM 1059 C VAL A 66 56.891 -15.902 -3.596 1.00 0.00 C ATOM 1060 O VAL A 66 58.008 -15.894 -3.082 1.00 0.00 O ATOM 1061 CB VAL A 66 56.204 -13.508 -3.535 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.041 -13.395 -5.051 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.295 -12.481 -2.857 1.00 0.00 C ATOM 0 H VAL A 66 56.606 -15.175 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 66 54.849 -15.200 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 66 57.241 -13.315 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.314 -12.390 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.688 -14.122 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.004 -13.593 -5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.573 -11.478 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.258 -12.676 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.405 -12.555 -1.775 1.00 0.00 H new ATOM 1073 N PRO A 67 56.613 -16.722 -4.599 1.00 0.00 N ATOM 1074 CA PRO A 67 57.638 -17.671 -5.140 1.00 0.00 C ATOM 1075 C PRO A 67 58.910 -16.947 -5.598 1.00 0.00 C ATOM 1076 O PRO A 67 58.865 -15.794 -6.023 1.00 0.00 O ATOM 1077 CB PRO A 67 56.943 -18.366 -6.331 1.00 0.00 C ATOM 1078 CG PRO A 67 55.473 -18.142 -6.142 1.00 0.00 C ATOM 1079 CD PRO A 67 55.319 -16.862 -5.313 1.00 0.00 C ATOM 0 HA PRO A 67 57.966 -18.377 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 67 57.282 -17.948 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 67 57.176 -19.431 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.971 -18.041 -7.104 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.016 -18.990 -5.631 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.121 -15.999 -5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.487 -16.940 -4.614 1.00 0.00 H new ATOM 1087 N VAL A 68 60.040 -17.641 -5.494 1.00 0.00 N ATOM 1088 CA VAL A 68 61.328 -17.067 -5.889 1.00 0.00 C ATOM 1089 C VAL A 68 61.309 -16.653 -7.361 1.00 0.00 C ATOM 1090 O VAL A 68 60.963 -17.444 -8.239 1.00 0.00 O ATOM 1091 CB VAL A 68 62.444 -18.105 -5.644 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.962 -19.488 -6.091 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.714 -17.738 -6.435 1.00 0.00 C ATOM 0 H VAL A 68 60.093 -18.597 -5.142 1.00 0.00 H new ATOM 0 HA VAL A 68 61.518 -16.177 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 68 62.679 -18.113 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.750 -20.221 -5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.076 -19.766 -5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.717 -19.462 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.487 -18.483 -6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.485 -17.713 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.070 -16.758 -6.118 1.00 0.00 H new ATOM 1103 N GLY A 69 61.705 -15.403 -7.616 1.00 0.00 N ATOM 1104 CA GLY A 69 61.755 -14.877 -8.985 1.00 0.00 C ATOM 1105 C GLY A 69 61.281 -13.423 -9.062 1.00 0.00 C ATOM 1106 O GLY A 69 60.449 -13.088 -9.905 1.00 0.00 O ATOM 0 H GLY A 69 61.994 -14.739 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.775 -14.945 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 69 61.134 -15.495 -9.633 1.00 0.00 H new ATOM 1110 N SER A 70 61.814 -12.556 -8.196 1.00 0.00 N ATOM 1111 CA SER A 70 61.418 -11.147 -8.218 1.00 0.00 C ATOM 1112 C SER A 70 62.410 -10.283 -7.441 1.00 0.00 C ATOM 1113 O SER A 70 63.236 -10.799 -6.687 1.00 0.00 O ATOM 1114 CB SER A 70 60.032 -10.983 -7.603 1.00 0.00 C ATOM 1115 OG SER A 70 59.132 -11.903 -8.205 1.00 0.00 O ATOM 0 H SER A 70 62.505 -12.798 -7.486 1.00 0.00 H new ATOM 0 HA SER A 70 61.406 -10.822 -9.258 1.00 0.00 H new ATOM 0 HB2 SER A 70 60.078 -11.154 -6.527 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.677 -9.963 -7.749 1.00 0.00 H new ATOM 0 HG SER A 70 59.323 -11.967 -9.164 1.00 0.00 H new ATOM 1121 N THR A 71 62.308 -8.960 -7.613 1.00 0.00 N ATOM 1122 CA THR A 71 63.189 -8.030 -6.900 1.00 0.00 C ATOM 1123 C THR A 71 62.488 -7.538 -5.638 1.00 0.00 C ATOM 1124 O THR A 71 61.443 -6.889 -5.699 1.00 0.00 O ATOM 1125 CB THR A 71 63.572 -6.846 -7.801 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.679 -6.167 -7.226 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.396 -5.874 -7.946 1.00 0.00 C ATOM 0 H THR A 71 61.632 -8.514 -8.233 1.00 0.00 H new ATOM 0 HA THR A 71 64.106 -8.549 -6.623 1.00 0.00 H new ATOM 0 HB THR A 71 63.834 -7.223 -8.790 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.931 -5.411 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.688 -5.043 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.547 -6.394 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.116 -5.493 -6.964 1.00 0.00 H new ATOM 1135 N LEU A 72 63.062 -7.883 -4.495 1.00 0.00 N ATOM 1136 CA LEU A 72 62.486 -7.511 -3.208 1.00 0.00 C ATOM 1137 C LEU A 72 62.507 -5.997 -2.978 1.00 0.00 C ATOM 1138 O LEU A 72 61.539 -5.422 -2.479 1.00 0.00 O ATOM 1139 CB LEU A 72 63.262 -8.199 -2.087 1.00 0.00 C ATOM 1140 CG LEU A 72 63.062 -9.724 -2.157 1.00 0.00 C ATOM 1141 CD1 LEU A 72 64.028 -10.401 -1.175 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.603 -10.095 -1.814 1.00 0.00 C ATOM 0 H LEU A 72 63.927 -8.420 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 72 61.444 -7.832 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 72 64.322 -7.960 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.926 -7.825 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 72 63.269 -10.069 -3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 72 63.893 -11.482 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 65.054 -10.153 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 72 63.824 -10.050 -0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.480 -11.177 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.368 -9.753 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.929 -9.617 -2.525 1.00 0.00 H new ATOM 1154 N LEU A 73 63.624 -5.362 -3.321 1.00 0.00 N ATOM 1155 CA LEU A 73 63.785 -3.917 -3.126 1.00 0.00 C ATOM 1156 C LEU A 73 64.600 -3.344 -4.288 1.00 0.00 C ATOM 1157 O LEU A 73 65.444 -4.037 -4.856 1.00 0.00 O ATOM 1158 CB LEU A 73 64.514 -3.687 -1.776 1.00 0.00 C ATOM 1159 CG LEU A 73 64.257 -2.274 -1.187 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.380 -2.328 0.344 1.00 0.00 C ATOM 1161 CD2 LEU A 73 65.285 -1.261 -1.719 1.00 0.00 C ATOM 0 H LEU A 73 64.434 -5.822 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 73 62.817 -3.416 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 73 64.187 -4.440 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.586 -3.827 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 73 63.256 -1.960 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.200 -1.336 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 73 63.646 -3.027 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.382 -2.659 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 73 65.083 -0.279 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 73 66.289 -1.580 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.213 -1.206 -2.805 1.00 0.00 H new ATOM 1173 N GLN A 74 64.374 -2.074 -4.624 1.00 0.00 N ATOM 1174 CA GLN A 74 65.130 -1.429 -5.708 1.00 0.00 C ATOM 1175 C GLN A 74 66.196 -0.527 -5.086 1.00 0.00 C ATOM 1176 O GLN A 74 65.884 0.368 -4.300 1.00 0.00 O ATOM 1177 CB GLN A 74 64.180 -0.605 -6.606 1.00 0.00 C ATOM 1178 CG GLN A 74 63.665 -1.452 -7.783 1.00 0.00 C ATOM 1179 CD GLN A 74 62.556 -0.695 -8.506 1.00 0.00 C ATOM 1180 OE1 GLN A 74 62.184 0.402 -8.090 1.00 0.00 O ATOM 1181 NE2 GLN A 74 61.996 -1.215 -9.564 1.00 0.00 N ATOM 0 H GLN A 74 63.684 -1.475 -4.171 1.00 0.00 H new ATOM 0 HA GLN A 74 65.607 -2.186 -6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.337 -0.244 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.702 0.273 -6.986 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.481 -1.670 -8.472 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.290 -2.409 -7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 74 62.304 -2.124 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.251 -0.712 -10.046 1.00 0.00 H new ATOM 1190 N ILE A 75 67.466 -0.796 -5.414 1.00 0.00 N ATOM 1191 CA ILE A 75 68.584 -0.031 -4.851 1.00 0.00 C ATOM 1192 C ILE A 75 69.454 0.584 -5.939 1.00 0.00 C ATOM 1193 O ILE A 75 69.941 -0.113 -6.831 1.00 0.00 O ATOM 1194 CB ILE A 75 69.441 -0.968 -3.987 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.631 -1.458 -2.781 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.692 -0.248 -3.483 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.385 -2.589 -2.077 1.00 0.00 C ATOM 0 H ILE A 75 67.743 -1.533 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 75 68.174 0.782 -4.252 1.00 0.00 H new ATOM 0 HB ILE A 75 69.739 -1.816 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.460 -0.635 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.652 -1.809 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.284 -0.931 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.286 0.087 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.399 0.613 -2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.806 -2.934 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.533 -3.415 -2.772 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.354 -2.224 -1.736 1.00 0.00 H new ATOM 1209 N ASP A 76 69.667 1.889 -5.831 1.00 0.00 N ATOM 1210 CA ASP A 76 70.509 2.609 -6.783 1.00 0.00 C ATOM 1211 C ASP A 76 71.961 2.552 -6.322 1.00 0.00 C ATOM 1212 O ASP A 76 72.247 2.717 -5.136 1.00 0.00 O ATOM 1213 CB ASP A 76 70.078 4.074 -6.879 1.00 0.00 C ATOM 1214 CG ASP A 76 68.700 4.174 -7.524 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.270 3.195 -8.109 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.095 5.229 -7.419 1.00 0.00 O ATOM 0 H ASP A 76 69.269 2.472 -5.095 1.00 0.00 H new ATOM 0 HA ASP A 76 70.405 2.140 -7.762 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.056 4.520 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.804 4.637 -7.465 1.00 0.00 H new ATOM 1221 N THR A 77 72.874 2.311 -7.258 1.00 0.00 N ATOM 1222 CA THR A 77 74.296 2.232 -6.928 1.00 0.00 C ATOM 1223 C THR A 77 74.964 3.590 -7.125 1.00 0.00 C ATOM 1224 O THR A 77 74.494 4.343 -7.961 1.00 0.00 O ATOM 1225 CB THR A 77 74.977 1.195 -7.823 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.352 -0.068 -7.644 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.457 1.087 -7.457 1.00 0.00 C ATOM 1228 OXT THR A 77 75.939 3.854 -6.439 1.00 0.00 O ATOM 0 H THR A 77 72.659 2.168 -8.245 1.00 0.00 H new ATOM 0 HA THR A 77 74.396 1.936 -5.884 1.00 0.00 H new ATOM 0 HB THR A 77 74.886 1.504 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 77 74.787 -0.732 -8.218 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.937 0.347 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 77 76.938 2.055 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.553 0.782 -6.415 1.00 0.00 H new TER 1236 THR A 77