USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 416 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 2 SER OG : rot -13:sc= 0.723 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0.474 (180deg=0.474) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -174:sc= 1.22 USER MOD Single : A 22 GLN : amide:sc= -0.0163 K(o=-0.016,f=-1.9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= -0.0176 (180deg=-0.223) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0172 (180deg=-0.21) USER MOD Single : A 33 GLN : amide:sc= 0.931 K(o=0.93,f=-0.012) USER MOD Single : A 34 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0.811) USER MOD Single : A 62 SER OG : rot -80:sc= 1.64 USER MOD Single : A 67 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.384 -0.459 -1.682 1.00 0.00 N ATOM 26 CA SER A 2 2.413 -1.785 -2.280 1.00 0.00 C ATOM 27 C SER A 2 1.970 -1.753 -3.750 1.00 0.00 C ATOM 28 O SER A 2 2.763 -2.133 -4.607 1.00 0.00 O ATOM 29 CB SER A 2 1.635 -2.769 -1.393 1.00 0.00 C ATOM 30 OG SER A 2 0.859 -2.061 -0.436 1.00 0.00 O ATOM 0 HA SER A 2 3.439 -2.152 -2.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.986 -3.391 -2.010 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.329 -3.439 -0.885 1.00 0.00 H new ATOM 0 HG SER A 2 1.143 -1.123 -0.414 1.00 0.00 H new ATOM 36 N PRO A 3 0.771 -1.248 -4.093 1.00 0.00 N ATOM 37 CA PRO A 3 0.372 -1.030 -5.478 1.00 0.00 C ATOM 38 C PRO A 3 1.454 -0.375 -6.348 1.00 0.00 C ATOM 39 O PRO A 3 1.628 -0.763 -7.501 1.00 0.00 O ATOM 40 CB PRO A 3 -0.887 -0.165 -5.407 1.00 0.00 C ATOM 41 CG PRO A 3 -1.520 -0.610 -4.091 1.00 0.00 C ATOM 42 CD PRO A 3 -0.306 -0.856 -3.195 1.00 0.00 C ATOM 0 HA PRO A 3 0.196 -1.988 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.649 0.899 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.548 -0.341 -6.255 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.177 0.156 -3.679 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.120 -1.512 -4.216 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.043 0.042 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.511 -1.638 -2.464 1.00 0.00 H new ATOM 50 N GLU A 4 2.186 0.609 -5.812 1.00 0.00 N ATOM 51 CA GLU A 4 3.224 1.303 -6.559 1.00 0.00 C ATOM 52 C GLU A 4 4.425 0.377 -6.761 1.00 0.00 C ATOM 53 O GLU A 4 4.999 0.330 -7.847 1.00 0.00 O ATOM 54 CB GLU A 4 3.603 2.596 -5.825 1.00 0.00 C ATOM 55 CG GLU A 4 4.453 3.535 -6.692 1.00 0.00 C ATOM 56 CD GLU A 4 4.792 4.840 -5.971 1.00 0.00 C ATOM 57 OE1 GLU A 4 4.432 4.954 -4.778 1.00 0.00 O ATOM 58 OE2 GLU A 4 5.407 5.703 -6.632 1.00 0.00 O ATOM 0 H GLU A 4 2.071 0.940 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 4 2.858 1.579 -7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.695 3.114 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.153 2.347 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 4 5.376 3.029 -6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.917 3.760 -7.614 1.00 0.00 H new ATOM 65 N GLU A 5 4.793 -0.384 -5.727 1.00 0.00 N ATOM 66 CA GLU A 5 5.819 -1.410 -5.847 1.00 0.00 C ATOM 67 C GLU A 5 5.434 -2.400 -6.953 1.00 0.00 C ATOM 68 O GLU A 5 6.227 -2.660 -7.859 1.00 0.00 O ATOM 69 CB GLU A 5 6.030 -2.101 -4.492 1.00 0.00 C ATOM 70 CG GLU A 5 7.232 -3.052 -4.516 1.00 0.00 C ATOM 71 CD GLU A 5 7.407 -3.741 -3.167 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.577 -4.627 -2.874 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.356 -3.358 -2.449 1.00 0.00 O ATOM 0 H GLU A 5 4.390 -0.304 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 5 6.769 -0.956 -6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.179 -1.347 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.132 -2.658 -4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.093 -3.801 -5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.136 -2.496 -4.765 1.00 0.00 H new ATOM 80 N LEU A 6 4.208 -2.934 -6.901 1.00 0.00 N ATOM 81 CA LEU A 6 3.731 -3.850 -7.928 1.00 0.00 C ATOM 82 C LEU A 6 3.733 -3.172 -9.299 1.00 0.00 C ATOM 83 O LEU A 6 4.081 -3.818 -10.281 1.00 0.00 O ATOM 84 CB LEU A 6 2.345 -4.442 -7.626 1.00 0.00 C ATOM 85 CG LEU A 6 2.265 -5.536 -6.545 1.00 0.00 C ATOM 86 CD1 LEU A 6 3.326 -6.622 -6.717 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.310 -5.016 -5.109 1.00 0.00 C ATOM 0 H LEU A 6 3.535 -2.745 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 6 4.429 -4.687 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.687 -3.625 -7.329 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.945 -4.853 -8.553 1.00 0.00 H new ATOM 0 HG LEU A 6 1.277 -5.969 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.219 -7.364 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.199 -7.104 -7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.318 -6.174 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.248 -5.855 -4.416 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.244 -4.479 -4.946 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.470 -4.343 -4.939 1.00 0.00 H new ATOM 99 N LYS A 7 3.357 -1.891 -9.390 1.00 0.00 N ATOM 100 CA LYS A 7 3.449 -1.149 -10.640 1.00 0.00 C ATOM 101 C LYS A 7 4.887 -1.152 -11.158 1.00 0.00 C ATOM 102 O LYS A 7 5.123 -1.501 -12.312 1.00 0.00 O ATOM 103 CB LYS A 7 2.915 0.279 -10.469 1.00 0.00 C ATOM 104 CG LYS A 7 2.760 0.970 -11.829 1.00 0.00 C ATOM 105 CD LYS A 7 2.172 2.373 -11.652 1.00 0.00 C ATOM 106 CE LYS A 7 2.019 3.083 -13.003 1.00 0.00 C ATOM 107 NZ LYS A 7 3.324 3.413 -13.604 1.00 0.00 N ATOM 0 H LYS A 7 2.986 -1.351 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 7 2.824 -1.644 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.953 0.253 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.595 0.853 -9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.729 1.035 -12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.112 0.376 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.201 2.304 -11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.817 2.961 -11.000 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.456 2.446 -13.686 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.440 3.997 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.175 3.891 -14.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.852 4.041 -12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.867 2.539 -13.756 1.00 0.00 H new ATOM 121 N GLY A 8 5.844 -0.770 -10.308 1.00 0.00 N ATOM 122 CA GLY A 8 7.257 -0.744 -10.651 1.00 0.00 C ATOM 123 C GLY A 8 7.713 -2.102 -11.180 1.00 0.00 C ATOM 124 O GLY A 8 8.244 -2.197 -12.285 1.00 0.00 O ATOM 0 H GLY A 8 5.651 -0.468 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.439 0.024 -11.403 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.844 -0.475 -9.773 1.00 0.00 H new ATOM 128 N ILE A 9 7.475 -3.156 -10.399 1.00 0.00 N ATOM 129 CA ILE A 9 7.750 -4.532 -10.798 1.00 0.00 C ATOM 130 C ILE A 9 7.142 -4.782 -12.181 1.00 0.00 C ATOM 131 O ILE A 9 7.861 -5.045 -13.144 1.00 0.00 O ATOM 132 CB ILE A 9 7.195 -5.476 -9.708 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.098 -5.416 -8.462 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.017 -6.931 -10.154 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.492 -6.150 -7.263 1.00 0.00 C ATOM 0 H ILE A 9 7.081 -3.075 -9.461 1.00 0.00 H new ATOM 0 HA ILE A 9 8.820 -4.723 -10.884 1.00 0.00 H new ATOM 0 HB ILE A 9 6.192 -5.114 -9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.068 -5.853 -8.699 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.274 -4.374 -8.195 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.623 -7.520 -9.326 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.321 -6.972 -10.992 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.980 -7.337 -10.463 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.169 -6.077 -6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.534 -5.697 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.341 -7.199 -7.517 1.00 0.00 H new ATOM 147 N PHE A 10 5.816 -4.683 -12.269 1.00 0.00 N ATOM 148 CA PHE A 10 5.040 -4.899 -13.477 1.00 0.00 C ATOM 149 C PHE A 10 5.706 -4.230 -14.685 1.00 0.00 C ATOM 150 O PHE A 10 6.017 -4.904 -15.669 1.00 0.00 O ATOM 151 CB PHE A 10 3.601 -4.410 -13.241 1.00 0.00 C ATOM 152 CG PHE A 10 2.757 -4.341 -14.490 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.866 -3.222 -15.331 1.00 0.00 C ATOM 154 CD2 PHE A 10 1.976 -5.437 -14.889 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.360 -3.278 -16.635 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.403 -5.461 -16.171 1.00 0.00 C ATOM 157 CZ PHE A 10 1.640 -4.404 -17.063 1.00 0.00 C ATOM 0 H PHE A 10 5.236 -4.440 -11.466 1.00 0.00 H new ATOM 0 HA PHE A 10 5.001 -5.963 -13.710 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.117 -5.074 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.636 -3.421 -12.785 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.339 -2.320 -14.973 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.816 -6.262 -14.210 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.524 -2.453 -17.313 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.781 -6.292 -16.470 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.269 -4.457 -18.076 1.00 0.00 H new ATOM 167 N GLU A 11 5.937 -2.915 -14.617 1.00 0.00 N ATOM 168 CA GLU A 11 6.445 -2.197 -15.774 1.00 0.00 C ATOM 169 C GLU A 11 7.875 -2.633 -16.098 1.00 0.00 C ATOM 170 O GLU A 11 8.227 -2.741 -17.271 1.00 0.00 O ATOM 171 CB GLU A 11 6.276 -0.677 -15.634 1.00 0.00 C ATOM 172 CG GLU A 11 7.159 -0.035 -14.561 1.00 0.00 C ATOM 173 CD GLU A 11 6.827 1.441 -14.373 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.681 1.718 -13.954 1.00 0.00 O ATOM 175 OE2 GLU A 11 7.722 2.268 -14.650 1.00 0.00 O ATOM 0 H GLU A 11 5.782 -2.342 -13.788 1.00 0.00 H new ATOM 0 HA GLU A 11 5.837 -2.466 -16.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.496 -0.210 -16.594 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.233 -0.460 -15.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.026 -0.562 -13.616 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.207 -0.140 -14.840 1.00 0.00 H new ATOM 182 N LYS A 12 8.699 -2.911 -15.080 1.00 0.00 N ATOM 183 CA LYS A 12 10.051 -3.401 -15.315 1.00 0.00 C ATOM 184 C LYS A 12 10.022 -4.748 -16.043 1.00 0.00 C ATOM 185 O LYS A 12 10.739 -4.918 -17.026 1.00 0.00 O ATOM 186 CB LYS A 12 10.844 -3.470 -14.002 1.00 0.00 C ATOM 187 CG LYS A 12 11.154 -2.077 -13.433 1.00 0.00 C ATOM 188 CD LYS A 12 12.300 -1.377 -14.179 1.00 0.00 C ATOM 189 CE LYS A 12 12.585 -0.013 -13.541 1.00 0.00 C ATOM 190 NZ LYS A 12 13.667 0.693 -14.248 1.00 0.00 N ATOM 0 H LYS A 12 8.451 -2.804 -14.096 1.00 0.00 H new ATOM 0 HA LYS A 12 10.568 -2.695 -15.965 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.277 -4.042 -13.268 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.778 -4.006 -14.172 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.258 -1.458 -13.488 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.414 -2.169 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.196 -1.996 -14.149 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.037 -1.249 -15.229 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.680 0.595 -13.557 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.859 -0.149 -12.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.837 1.613 -13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.536 0.123 -14.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.393 0.843 -15.240 1.00 0.00 H new ATOM 204 N TYR A 13 9.200 -5.703 -15.591 1.00 0.00 N ATOM 205 CA TYR A 13 9.036 -6.970 -16.284 1.00 0.00 C ATOM 206 C TYR A 13 8.553 -6.752 -17.717 1.00 0.00 C ATOM 207 O TYR A 13 9.192 -7.206 -18.661 1.00 0.00 O ATOM 208 CB TYR A 13 8.081 -7.859 -15.489 1.00 0.00 C ATOM 209 CG TYR A 13 8.787 -8.650 -14.413 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.458 -9.836 -14.750 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.824 -8.183 -13.091 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.163 -10.546 -13.767 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.570 -8.866 -12.120 1.00 0.00 C ATOM 214 CZ TYR A 13 10.246 -10.050 -12.457 1.00 0.00 C ATOM 215 OH TYR A 13 10.905 -10.762 -11.500 1.00 0.00 O ATOM 0 H TYR A 13 8.639 -5.614 -14.744 1.00 0.00 H new ATOM 0 HA TYR A 13 10.000 -7.474 -16.353 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.309 -7.240 -15.033 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.578 -8.546 -16.170 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.431 -10.202 -15.766 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.275 -7.293 -12.820 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.644 -11.479 -14.020 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.625 -8.481 -11.112 1.00 0.00 H new ATOM 0 HH TYR A 13 10.788 -10.326 -10.630 1.00 0.00 H new ATOM 225 N ALA A 14 7.433 -6.047 -17.884 1.00 0.00 N ATOM 226 CA ALA A 14 6.887 -5.697 -19.189 1.00 0.00 C ATOM 227 C ALA A 14 7.976 -5.174 -20.132 1.00 0.00 C ATOM 228 O ALA A 14 8.195 -5.712 -21.217 1.00 0.00 O ATOM 229 CB ALA A 14 5.783 -4.662 -18.985 1.00 0.00 C ATOM 0 H ALA A 14 6.875 -5.700 -17.104 1.00 0.00 H new ATOM 0 HA ALA A 14 6.473 -6.587 -19.662 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.360 -4.386 -19.951 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.001 -5.084 -18.354 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.199 -3.776 -18.504 1.00 0.00 H new ATOM 235 N ALA A 15 8.705 -4.155 -19.677 1.00 0.00 N ATOM 236 CA ALA A 15 9.804 -3.555 -20.419 1.00 0.00 C ATOM 237 C ALA A 15 10.822 -4.577 -20.944 1.00 0.00 C ATOM 238 O ALA A 15 11.431 -4.327 -21.984 1.00 0.00 O ATOM 239 CB ALA A 15 10.492 -2.488 -19.565 1.00 0.00 C ATOM 0 H ALA A 15 8.543 -3.720 -18.769 1.00 0.00 H new ATOM 0 HA ALA A 15 9.368 -3.091 -21.304 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.313 -2.045 -20.128 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.772 -1.713 -19.302 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.882 -2.945 -18.656 1.00 0.00 H new ATOM 329 N GLN A 22 2.623 -4.024 -20.619 1.00 0.00 N ATOM 330 CA GLN A 22 2.057 -5.355 -20.842 1.00 0.00 C ATOM 331 C GLN A 22 2.986 -6.531 -20.543 1.00 0.00 C ATOM 332 O GLN A 22 4.179 -6.464 -20.820 1.00 0.00 O ATOM 333 CB GLN A 22 1.448 -5.482 -22.248 1.00 0.00 C ATOM 334 CG GLN A 22 -0.065 -5.685 -22.108 1.00 0.00 C ATOM 335 CD GLN A 22 -0.827 -5.109 -23.292 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.387 -5.828 -24.110 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.855 -3.783 -23.371 1.00 0.00 N ATOM 0 HA GLN A 22 1.267 -5.431 -20.095 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.657 -4.587 -22.833 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.895 -6.322 -22.780 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.282 -6.750 -22.020 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.411 -5.212 -21.189 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.375 -3.220 -22.669 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.356 -3.328 -24.134 1.00 0.00 H new ATOM 346 N LEU A 23 2.409 -7.611 -19.996 1.00 0.00 N ATOM 347 CA LEU A 23 3.094 -8.850 -19.649 1.00 0.00 C ATOM 348 C LEU A 23 2.546 -10.029 -20.463 1.00 0.00 C ATOM 349 O LEU A 23 1.433 -10.485 -20.198 1.00 0.00 O ATOM 350 CB LEU A 23 2.867 -9.173 -18.164 1.00 0.00 C ATOM 351 CG LEU A 23 3.327 -8.109 -17.166 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.865 -8.524 -15.773 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.838 -7.975 -17.097 1.00 0.00 C ATOM 0 H LEU A 23 1.413 -7.639 -19.777 1.00 0.00 H new ATOM 0 HA LEU A 23 4.153 -8.710 -19.864 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.803 -9.350 -18.010 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.382 -10.105 -17.933 1.00 0.00 H new ATOM 0 HG LEU A 23 2.905 -7.160 -17.497 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.184 -7.777 -15.046 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.778 -8.603 -15.759 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.302 -9.489 -15.517 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.102 -7.205 -16.372 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.274 -8.926 -16.791 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.224 -7.698 -18.078 1.00 0.00 H new ATOM 365 N SER A 24 3.311 -10.564 -21.417 1.00 0.00 N ATOM 366 CA SER A 24 2.977 -11.842 -22.042 1.00 0.00 C ATOM 367 C SER A 24 2.935 -12.930 -20.966 1.00 0.00 C ATOM 368 O SER A 24 3.586 -12.787 -19.936 1.00 0.00 O ATOM 369 CB SER A 24 4.011 -12.205 -23.114 1.00 0.00 C ATOM 370 OG SER A 24 3.929 -11.326 -24.213 1.00 0.00 O ATOM 0 H SER A 24 4.164 -10.132 -21.772 1.00 0.00 H new ATOM 0 HA SER A 24 2.002 -11.761 -22.522 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.013 -12.166 -22.686 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.848 -13.229 -23.450 1.00 0.00 H new ATOM 0 HG SER A 24 4.599 -11.576 -24.883 1.00 0.00 H new ATOM 376 N LYS A 25 2.204 -14.025 -21.197 1.00 0.00 N ATOM 377 CA LYS A 25 2.049 -15.096 -20.219 1.00 0.00 C ATOM 378 C LYS A 25 3.337 -15.543 -19.543 1.00 0.00 C ATOM 379 O LYS A 25 3.324 -15.778 -18.342 1.00 0.00 O ATOM 380 CB LYS A 25 1.226 -16.273 -20.756 1.00 0.00 C ATOM 381 CG LYS A 25 1.885 -17.166 -21.820 1.00 0.00 C ATOM 382 CD LYS A 25 2.130 -16.451 -23.157 1.00 0.00 C ATOM 383 CE LYS A 25 2.615 -17.421 -24.241 1.00 0.00 C ATOM 384 NZ LYS A 25 1.580 -18.404 -24.612 1.00 0.00 N ATOM 0 H LYS A 25 1.704 -14.190 -22.070 1.00 0.00 H new ATOM 0 HA LYS A 25 1.470 -14.640 -19.416 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.948 -16.903 -19.911 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.302 -15.875 -21.175 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.836 -17.534 -21.435 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.253 -18.037 -21.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.209 -15.970 -23.486 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.870 -15.663 -23.017 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.911 -16.857 -25.125 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.502 -17.946 -23.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.854 -18.879 -25.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.484 -19.110 -23.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.671 -17.917 -24.748 1.00 0.00 H new ATOM 398 N GLU A 26 4.449 -15.638 -20.270 1.00 0.00 N ATOM 399 CA GLU A 26 5.721 -16.000 -19.654 1.00 0.00 C ATOM 400 C GLU A 26 6.286 -14.851 -18.815 1.00 0.00 C ATOM 401 O GLU A 26 6.900 -15.086 -17.774 1.00 0.00 O ATOM 402 CB GLU A 26 6.711 -16.480 -20.718 1.00 0.00 C ATOM 403 CG GLU A 26 6.158 -17.707 -21.459 1.00 0.00 C ATOM 404 CD GLU A 26 5.879 -18.880 -20.521 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.860 -19.385 -19.932 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.687 -19.236 -20.393 1.00 0.00 O ATOM 0 H GLU A 26 4.494 -15.471 -21.275 1.00 0.00 H new ATOM 0 HA GLU A 26 5.547 -16.828 -18.966 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.906 -15.677 -21.429 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.663 -16.730 -20.250 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.238 -17.432 -21.975 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.871 -18.018 -22.223 1.00 0.00 H new ATOM 413 N GLU A 27 6.059 -13.606 -19.242 1.00 0.00 N ATOM 414 CA GLU A 27 6.455 -12.444 -18.466 1.00 0.00 C ATOM 415 C GLU A 27 5.658 -12.457 -17.156 1.00 0.00 C ATOM 416 O GLU A 27 6.237 -12.376 -16.074 1.00 0.00 O ATOM 417 CB GLU A 27 6.261 -11.162 -19.295 1.00 0.00 C ATOM 418 CG GLU A 27 7.198 -10.026 -18.852 1.00 0.00 C ATOM 419 CD GLU A 27 8.645 -10.264 -19.278 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.872 -10.331 -20.506 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.492 -10.391 -18.369 1.00 0.00 O ATOM 0 H GLU A 27 5.601 -13.384 -20.126 1.00 0.00 H new ATOM 0 HA GLU A 27 7.515 -12.472 -18.214 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.437 -11.384 -20.348 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.226 -10.830 -19.208 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.848 -9.084 -19.275 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.154 -9.924 -17.768 1.00 0.00 H new ATOM 428 N LEU A 28 4.331 -12.634 -17.238 1.00 0.00 N ATOM 429 CA LEU A 28 3.517 -12.798 -16.044 1.00 0.00 C ATOM 430 C LEU A 28 4.031 -13.976 -15.222 1.00 0.00 C ATOM 431 O LEU A 28 4.216 -13.835 -14.019 1.00 0.00 O ATOM 432 CB LEU A 28 2.033 -12.982 -16.402 1.00 0.00 C ATOM 433 CG LEU A 28 1.140 -12.913 -15.146 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.721 -11.472 -14.859 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.107 -13.786 -15.283 1.00 0.00 C ATOM 0 H LEU A 28 3.810 -12.666 -18.115 1.00 0.00 H new ATOM 0 HA LEU A 28 3.597 -11.891 -15.444 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.729 -12.211 -17.110 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.893 -13.942 -16.898 1.00 0.00 H new ATOM 0 HG LEU A 28 1.734 -13.293 -14.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.092 -11.446 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.608 -10.861 -14.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.163 -11.079 -15.709 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.707 -13.708 -14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.694 -13.450 -16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.190 -14.824 -15.433 1.00 0.00 H new ATOM 447 N LYS A 29 4.262 -15.130 -15.852 1.00 0.00 N ATOM 448 CA LYS A 29 4.695 -16.325 -15.153 1.00 0.00 C ATOM 449 C LYS A 29 5.936 -16.041 -14.319 1.00 0.00 C ATOM 450 O LYS A 29 5.923 -16.275 -13.112 1.00 0.00 O ATOM 451 CB LYS A 29 4.984 -17.456 -16.152 1.00 0.00 C ATOM 452 CG LYS A 29 5.242 -18.799 -15.463 1.00 0.00 C ATOM 453 CD LYS A 29 5.778 -19.817 -16.480 1.00 0.00 C ATOM 454 CE LYS A 29 5.796 -21.240 -15.907 1.00 0.00 C ATOM 455 NZ LYS A 29 4.436 -21.760 -15.676 1.00 0.00 N ATOM 0 H LYS A 29 4.152 -15.254 -16.858 1.00 0.00 H new ATOM 0 HA LYS A 29 3.891 -16.638 -14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.140 -17.558 -16.834 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.851 -17.189 -16.756 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.960 -18.669 -14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.320 -19.171 -15.016 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.160 -19.794 -17.377 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.787 -19.534 -16.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.325 -21.901 -16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.351 -21.246 -14.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.479 -22.787 -15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.025 -21.298 -14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.843 -21.562 -16.507 1.00 0.00 H new ATOM 469 N LEU A 30 7.010 -15.569 -14.955 1.00 0.00 N ATOM 470 CA LEU A 30 8.309 -15.491 -14.302 1.00 0.00 C ATOM 471 C LEU A 30 8.282 -14.389 -13.259 1.00 0.00 C ATOM 472 O LEU A 30 8.876 -14.538 -12.190 1.00 0.00 O ATOM 473 CB LEU A 30 9.491 -15.452 -15.295 1.00 0.00 C ATOM 474 CG LEU A 30 10.269 -14.130 -15.458 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.633 -14.431 -16.090 1.00 0.00 C ATOM 476 CD2 LEU A 30 9.539 -13.147 -16.370 1.00 0.00 C ATOM 0 H LEU A 30 7.002 -15.237 -15.919 1.00 0.00 H new ATOM 0 HA LEU A 30 8.501 -16.419 -13.764 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.203 -16.221 -14.994 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.110 -15.736 -16.276 1.00 0.00 H new ATOM 0 HG LEU A 30 10.371 -13.682 -14.469 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.191 -13.503 -16.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.191 -15.110 -15.445 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.488 -14.895 -17.065 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.122 -12.230 -16.457 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.413 -13.592 -17.357 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.561 -12.917 -15.948 1.00 0.00 H new ATOM 488 N LEU A 31 7.525 -13.322 -13.536 1.00 0.00 N ATOM 489 CA LEU A 31 7.247 -12.315 -12.543 1.00 0.00 C ATOM 490 C LEU A 31 6.602 -13.012 -11.342 1.00 0.00 C ATOM 491 O LEU A 31 7.155 -12.971 -10.249 1.00 0.00 O ATOM 492 CB LEU A 31 6.408 -11.221 -13.218 1.00 0.00 C ATOM 493 CG LEU A 31 6.050 -10.014 -12.345 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.301 -8.995 -13.208 1.00 0.00 C ATOM 495 CD2 LEU A 31 5.104 -10.434 -11.238 1.00 0.00 C ATOM 0 H LEU A 31 7.099 -13.146 -14.446 1.00 0.00 H new ATOM 0 HA LEU A 31 8.131 -11.812 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.950 -10.863 -14.093 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.483 -11.671 -13.578 1.00 0.00 H new ATOM 0 HG LEU A 31 6.966 -9.598 -11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.038 -8.128 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.938 -8.680 -14.034 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.393 -9.450 -13.603 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.856 -9.569 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.192 -10.843 -11.674 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.582 -11.193 -10.619 1.00 0.00 H new ATOM 507 N LEU A 32 5.466 -13.686 -11.521 1.00 0.00 N ATOM 508 CA LEU A 32 4.764 -14.354 -10.431 1.00 0.00 C ATOM 509 C LEU A 32 5.679 -15.327 -9.687 1.00 0.00 C ATOM 510 O LEU A 32 5.672 -15.334 -8.457 1.00 0.00 O ATOM 511 CB LEU A 32 3.458 -15.004 -10.943 1.00 0.00 C ATOM 512 CG LEU A 32 2.206 -14.145 -10.714 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.412 -12.683 -11.099 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.057 -14.704 -11.551 1.00 0.00 C ATOM 0 H LEU A 32 5.008 -13.783 -12.427 1.00 0.00 H new ATOM 0 HA LEU A 32 4.471 -13.607 -9.693 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.558 -15.207 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.323 -15.965 -10.447 1.00 0.00 H new ATOM 0 HG LEU A 32 1.983 -14.182 -9.648 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.494 -12.125 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.219 -12.260 -10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.671 -12.618 -12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.164 -14.099 -11.393 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.330 -14.680 -12.606 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.856 -15.733 -11.252 1.00 0.00 H new ATOM 526 N GLN A 33 6.492 -16.112 -10.404 1.00 0.00 N ATOM 527 CA GLN A 33 7.376 -17.066 -9.751 1.00 0.00 C ATOM 528 C GLN A 33 8.376 -16.331 -8.860 1.00 0.00 C ATOM 529 O GLN A 33 8.574 -16.699 -7.705 1.00 0.00 O ATOM 530 CB GLN A 33 8.149 -17.962 -10.739 1.00 0.00 C ATOM 531 CG GLN A 33 7.369 -18.763 -11.793 1.00 0.00 C ATOM 532 CD GLN A 33 5.987 -19.233 -11.356 1.00 0.00 C ATOM 533 OE1 GLN A 33 5.837 -20.340 -10.849 1.00 0.00 O ATOM 534 NE2 GLN A 33 4.959 -18.421 -11.587 1.00 0.00 N ATOM 0 H GLN A 33 6.551 -16.102 -11.422 1.00 0.00 H new ATOM 0 HA GLN A 33 6.733 -17.717 -9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.860 -17.328 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.731 -18.672 -10.152 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.261 -18.149 -12.687 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.960 -19.635 -12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.117 -17.506 -12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.013 -18.713 -11.341 1.00 0.00 H new ATOM 543 N THR A 34 9.030 -15.311 -9.419 1.00 0.00 N ATOM 544 CA THR A 34 10.113 -14.616 -8.739 1.00 0.00 C ATOM 545 C THR A 34 9.561 -13.809 -7.565 1.00 0.00 C ATOM 546 O THR A 34 10.096 -13.855 -6.460 1.00 0.00 O ATOM 547 CB THR A 34 10.861 -13.725 -9.743 1.00 0.00 C ATOM 548 OG1 THR A 34 11.271 -14.505 -10.848 1.00 0.00 O ATOM 549 CG2 THR A 34 12.106 -13.087 -9.123 1.00 0.00 C ATOM 0 H THR A 34 8.822 -14.949 -10.350 1.00 0.00 H new ATOM 0 HA THR A 34 10.822 -15.339 -8.335 1.00 0.00 H new ATOM 0 HB THR A 34 10.178 -12.933 -10.050 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.520 -14.615 -11.468 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.605 -12.465 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.814 -12.471 -8.272 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.787 -13.869 -8.788 1.00 0.00 H new ATOM 557 N GLU A 35 8.507 -13.034 -7.823 1.00 0.00 N ATOM 558 CA GLU A 35 7.995 -12.054 -6.892 1.00 0.00 C ATOM 559 C GLU A 35 7.089 -12.691 -5.842 1.00 0.00 C ATOM 560 O GLU A 35 7.146 -12.269 -4.690 1.00 0.00 O ATOM 561 CB GLU A 35 7.262 -10.941 -7.654 1.00 0.00 C ATOM 562 CG GLU A 35 8.117 -10.289 -8.755 1.00 0.00 C ATOM 563 CD GLU A 35 9.430 -9.698 -8.250 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.394 -9.031 -7.195 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.446 -9.916 -8.949 1.00 0.00 O ATOM 0 H GLU A 35 7.985 -13.077 -8.698 1.00 0.00 H new ATOM 0 HA GLU A 35 8.840 -11.618 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.358 -11.353 -8.102 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.947 -10.174 -6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.336 -11.034 -9.520 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.536 -9.501 -9.234 1.00 0.00 H new ATOM 572 N PHE A 36 6.215 -13.640 -6.217 1.00 0.00 N ATOM 573 CA PHE A 36 5.175 -14.138 -5.313 1.00 0.00 C ATOM 574 C PHE A 36 5.415 -15.606 -4.909 1.00 0.00 C ATOM 575 O PHE A 36 4.672 -16.492 -5.350 1.00 0.00 O ATOM 576 CB PHE A 36 3.790 -13.944 -5.954 1.00 0.00 C ATOM 577 CG PHE A 36 3.431 -12.563 -6.481 1.00 0.00 C ATOM 578 CD1 PHE A 36 4.093 -11.399 -6.043 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.370 -12.441 -7.396 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.863 -10.173 -6.691 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.094 -11.202 -8.001 1.00 0.00 C ATOM 582 CZ PHE A 36 2.873 -10.079 -7.684 1.00 0.00 C ATOM 0 H PHE A 36 6.211 -14.075 -7.140 1.00 0.00 H new ATOM 0 HA PHE A 36 5.217 -13.557 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.704 -14.649 -6.781 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.039 -14.225 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.777 -11.449 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.764 -13.303 -7.635 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.447 -9.304 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.283 -11.115 -8.709 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.712 -9.145 -8.202 1.00 0.00 H new ATOM 726 N LEU A 46 -1.010 -21.658 -14.761 1.00 0.00 N ATOM 727 CA LEU A 46 -0.778 -20.398 -15.453 1.00 0.00 C ATOM 728 C LEU A 46 -1.786 -20.249 -16.581 1.00 0.00 C ATOM 729 O LEU A 46 -2.282 -19.155 -16.805 1.00 0.00 O ATOM 730 CB LEU A 46 0.639 -20.340 -16.041 1.00 0.00 C ATOM 731 CG LEU A 46 0.921 -19.052 -16.846 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.163 -17.858 -15.917 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.137 -19.293 -17.739 1.00 0.00 C ATOM 0 HA LEU A 46 -0.890 -19.588 -14.732 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.363 -20.418 -15.230 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.791 -21.204 -16.688 1.00 0.00 H new ATOM 0 HG LEU A 46 0.051 -18.813 -17.458 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.359 -16.967 -16.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.281 -17.694 -15.298 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.022 -18.063 -15.278 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.350 -18.392 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.000 -19.540 -17.120 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.930 -20.119 -18.420 1.00 0.00 H new ATOM 745 N ASP A 47 -2.085 -21.333 -17.300 1.00 0.00 N ATOM 746 CA ASP A 47 -3.046 -21.273 -18.389 1.00 0.00 C ATOM 747 C ASP A 47 -4.375 -20.689 -17.903 1.00 0.00 C ATOM 748 O ASP A 47 -4.874 -19.708 -18.452 1.00 0.00 O ATOM 749 CB ASP A 47 -3.221 -22.679 -18.966 1.00 0.00 C ATOM 750 CG ASP A 47 -4.161 -22.662 -20.167 1.00 0.00 C ATOM 751 OD1 ASP A 47 -5.388 -22.706 -19.932 1.00 0.00 O ATOM 752 OD2 ASP A 47 -3.633 -22.595 -21.297 1.00 0.00 O ATOM 0 H ASP A 47 -1.676 -22.254 -17.145 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.679 -20.613 -19.175 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.251 -23.077 -19.264 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.617 -23.344 -18.199 1.00 0.00 H new ATOM 757 N GLU A 48 -4.920 -21.280 -16.837 1.00 0.00 N ATOM 758 CA GLU A 48 -6.187 -20.864 -16.263 1.00 0.00 C ATOM 759 C GLU A 48 -6.056 -19.441 -15.726 1.00 0.00 C ATOM 760 O GLU A 48 -6.826 -18.552 -16.082 1.00 0.00 O ATOM 761 CB GLU A 48 -6.609 -21.838 -15.148 1.00 0.00 C ATOM 762 CG GLU A 48 -6.529 -23.320 -15.549 1.00 0.00 C ATOM 763 CD GLU A 48 -7.288 -23.639 -16.834 1.00 0.00 C ATOM 764 OE1 GLU A 48 -8.446 -23.183 -16.942 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.696 -24.350 -17.675 1.00 0.00 O ATOM 0 H GLU A 48 -4.486 -22.065 -16.350 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.960 -20.879 -17.032 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.975 -21.673 -14.277 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.631 -21.608 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.483 -23.599 -15.674 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.927 -23.931 -14.739 1.00 0.00 H new ATOM 772 N LEU A 49 -5.052 -19.224 -14.872 1.00 0.00 N ATOM 773 CA LEU A 49 -4.813 -17.939 -14.243 1.00 0.00 C ATOM 774 C LEU A 49 -4.765 -16.846 -15.307 1.00 0.00 C ATOM 775 O LEU A 49 -5.541 -15.900 -15.244 1.00 0.00 O ATOM 776 CB LEU A 49 -3.526 -17.996 -13.409 1.00 0.00 C ATOM 777 CG LEU A 49 -3.206 -16.679 -12.684 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.327 -16.267 -11.721 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.902 -16.845 -11.899 1.00 0.00 C ATOM 0 H LEU A 49 -4.383 -19.945 -14.601 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.630 -17.699 -13.563 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.615 -18.795 -12.672 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.691 -18.255 -14.061 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.108 -15.896 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.059 -15.331 -11.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.254 -16.132 -12.278 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.465 -17.044 -10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.668 -15.915 -11.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.016 -17.647 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.093 -17.092 -12.586 1.00 0.00 H new ATOM 791 N PHE A 50 -3.891 -16.993 -16.302 1.00 0.00 N ATOM 792 CA PHE A 50 -3.764 -16.064 -17.410 1.00 0.00 C ATOM 793 C PHE A 50 -5.104 -15.883 -18.121 1.00 0.00 C ATOM 794 O PHE A 50 -5.514 -14.751 -18.360 1.00 0.00 O ATOM 795 CB PHE A 50 -2.671 -16.538 -18.375 1.00 0.00 C ATOM 796 CG PHE A 50 -2.119 -15.425 -19.240 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.141 -14.569 -18.705 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.595 -15.213 -20.547 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.683 -13.470 -19.445 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.049 -14.178 -21.328 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.089 -13.312 -20.776 1.00 0.00 C ATOM 0 H PHE A 50 -3.242 -17.778 -16.356 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.469 -15.089 -17.021 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.857 -16.983 -17.802 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.075 -17.322 -19.016 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.741 -14.759 -17.720 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.376 -15.842 -20.949 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.020 -12.748 -18.991 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.367 -14.049 -22.352 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.664 -12.524 -21.379 1.00 0.00 H new ATOM 811 N GLU A 51 -5.799 -16.981 -18.442 1.00 0.00 N ATOM 812 CA GLU A 51 -7.096 -16.917 -19.105 1.00 0.00 C ATOM 813 C GLU A 51 -8.102 -16.075 -18.314 1.00 0.00 C ATOM 814 O GLU A 51 -8.876 -15.328 -18.907 1.00 0.00 O ATOM 815 CB GLU A 51 -7.610 -18.340 -19.379 1.00 0.00 C ATOM 816 CG GLU A 51 -8.988 -18.387 -20.061 1.00 0.00 C ATOM 817 CD GLU A 51 -9.044 -17.607 -21.373 1.00 0.00 C ATOM 818 OE1 GLU A 51 -8.090 -17.758 -22.167 1.00 0.00 O ATOM 819 OE2 GLU A 51 -10.048 -16.886 -21.559 1.00 0.00 O ATOM 0 H GLU A 51 -5.477 -17.929 -18.249 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.974 -16.410 -20.062 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.887 -18.862 -20.007 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.664 -18.884 -18.436 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.254 -19.426 -20.253 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.737 -17.987 -19.377 1.00 0.00 H new ATOM 826 N GLU A 52 -8.107 -16.194 -16.985 1.00 0.00 N ATOM 827 CA GLU A 52 -9.044 -15.457 -16.143 1.00 0.00 C ATOM 828 C GLU A 52 -8.596 -13.999 -16.016 1.00 0.00 C ATOM 829 O GLU A 52 -9.388 -13.072 -16.162 1.00 0.00 O ATOM 830 CB GLU A 52 -9.160 -16.125 -14.763 1.00 0.00 C ATOM 831 CG GLU A 52 -10.203 -17.254 -14.723 1.00 0.00 C ATOM 832 CD GLU A 52 -9.821 -18.483 -15.546 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.089 -18.457 -16.767 1.00 0.00 O ATOM 834 OE2 GLU A 52 -9.309 -19.441 -14.927 1.00 0.00 O ATOM 0 H GLU A 52 -7.468 -16.798 -16.469 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.030 -15.472 -16.606 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.188 -16.527 -14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.422 -15.370 -14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.356 -17.557 -13.687 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.155 -16.868 -15.086 1.00 0.00 H new ATOM 841 N LEU A 53 -7.319 -13.814 -15.695 1.00 0.00 N ATOM 842 CA LEU A 53 -6.687 -12.536 -15.413 1.00 0.00 C ATOM 843 C LEU A 53 -6.756 -11.644 -16.654 1.00 0.00 C ATOM 844 O LEU A 53 -7.274 -10.529 -16.611 1.00 0.00 O ATOM 845 CB LEU A 53 -5.241 -12.841 -14.987 1.00 0.00 C ATOM 846 CG LEU A 53 -4.464 -11.749 -14.242 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.037 -12.287 -14.040 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.436 -10.399 -14.961 1.00 0.00 C ATOM 0 H LEU A 53 -6.666 -14.594 -15.622 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.192 -11.993 -14.614 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.260 -13.728 -14.354 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.677 -13.100 -15.883 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.967 -11.543 -13.297 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.439 -11.544 -13.512 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.074 -13.206 -13.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.585 -12.493 -15.010 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.867 -9.683 -14.368 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.966 -10.516 -15.937 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.455 -10.035 -15.091 1.00 0.00 H new ATOM 860 N ASP A 54 -6.220 -12.130 -17.776 1.00 0.00 N ATOM 861 CA ASP A 54 -5.999 -11.342 -18.979 1.00 0.00 C ATOM 862 C ASP A 54 -7.274 -11.191 -19.818 1.00 0.00 C ATOM 863 O ASP A 54 -7.238 -11.325 -21.042 1.00 0.00 O ATOM 864 CB ASP A 54 -4.898 -12.012 -19.814 1.00 0.00 C ATOM 865 CG ASP A 54 -4.328 -11.074 -20.873 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.674 -9.874 -20.836 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.551 -11.569 -21.714 1.00 0.00 O ATOM 0 H ASP A 54 -5.924 -13.101 -17.870 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.695 -10.339 -18.678 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.096 -12.344 -19.155 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.302 -12.901 -20.298 1.00 0.00 H new ATOM 872 N LYS A 55 -8.409 -10.918 -19.175 1.00 0.00 N ATOM 873 CA LYS A 55 -9.708 -10.994 -19.828 1.00 0.00 C ATOM 874 C LYS A 55 -9.862 -10.016 -20.998 1.00 0.00 C ATOM 875 O LYS A 55 -10.565 -10.321 -21.958 1.00 0.00 O ATOM 876 CB LYS A 55 -10.840 -10.840 -18.793 1.00 0.00 C ATOM 877 CG LYS A 55 -11.959 -11.855 -19.062 1.00 0.00 C ATOM 878 CD LYS A 55 -11.530 -13.250 -18.579 1.00 0.00 C ATOM 879 CE LYS A 55 -12.254 -14.365 -19.342 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.733 -15.688 -18.956 1.00 0.00 N ATOM 0 H LYS A 55 -8.451 -10.640 -18.194 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.780 -11.985 -20.275 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.444 -10.985 -17.788 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.242 -9.828 -18.834 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.871 -11.548 -18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.187 -11.884 -20.128 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.453 -13.363 -18.706 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.737 -13.345 -17.513 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.323 -14.317 -19.137 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.128 -14.219 -20.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.029 -16.396 -19.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.694 -15.654 -18.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.107 -15.949 -18.022 1.00 0.00 H new ATOM 923 N GLY A 59 -3.724 -12.135 -24.411 1.00 0.00 N ATOM 924 CA GLY A 59 -2.443 -12.259 -25.084 1.00 0.00 C ATOM 925 C GLY A 59 -1.340 -11.721 -24.181 1.00 0.00 C ATOM 926 O GLY A 59 -0.392 -12.440 -23.870 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.249 -13.303 -25.330 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.459 -11.708 -26.024 1.00 0.00 H new ATOM 930 N GLU A 60 -1.487 -10.468 -23.736 1.00 0.00 N ATOM 931 CA GLU A 60 -0.608 -9.842 -22.761 1.00 0.00 C ATOM 932 C GLU A 60 -1.447 -9.111 -21.710 1.00 0.00 C ATOM 933 O GLU A 60 -2.440 -8.475 -22.053 1.00 0.00 O ATOM 934 CB GLU A 60 0.365 -8.880 -23.449 1.00 0.00 C ATOM 935 CG GLU A 60 1.183 -9.529 -24.570 1.00 0.00 C ATOM 936 CD GLU A 60 2.423 -8.701 -24.902 1.00 0.00 C ATOM 937 OE1 GLU A 60 3.231 -8.492 -23.969 1.00 0.00 O ATOM 938 OE2 GLU A 60 2.535 -8.291 -26.078 1.00 0.00 O ATOM 0 H GLU A 60 -2.237 -9.855 -24.054 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.017 -10.613 -22.267 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.197 -8.041 -23.860 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.047 -8.472 -22.703 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.483 -10.533 -24.270 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.564 -9.634 -25.461 1.00 0.00 H new ATOM 945 N VAL A 61 -1.029 -9.173 -20.444 1.00 0.00 N ATOM 946 CA VAL A 61 -1.729 -8.604 -19.299 1.00 0.00 C ATOM 947 C VAL A 61 -1.284 -7.157 -19.096 1.00 0.00 C ATOM 948 O VAL A 61 -0.101 -6.910 -18.871 1.00 0.00 O ATOM 949 CB VAL A 61 -1.417 -9.464 -18.058 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.792 -8.788 -16.734 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.192 -10.775 -18.157 1.00 0.00 C ATOM 0 H VAL A 61 -0.160 -9.639 -20.182 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.806 -8.603 -19.467 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.339 -9.622 -18.051 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.545 -9.450 -15.904 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.237 -7.855 -16.632 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.861 -8.577 -16.723 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.978 -11.391 -17.284 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.260 -10.564 -18.199 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.892 -11.308 -19.059 1.00 0.00 H new ATOM 961 N SER A 62 -2.226 -6.212 -19.161 1.00 0.00 N ATOM 962 CA SER A 62 -1.997 -4.808 -18.830 1.00 0.00 C ATOM 963 C SER A 62 -1.825 -4.619 -17.325 1.00 0.00 C ATOM 964 O SER A 62 -2.237 -5.473 -16.544 1.00 0.00 O ATOM 965 CB SER A 62 -3.183 -3.979 -19.332 1.00 0.00 C ATOM 966 OG SER A 62 -4.369 -4.405 -18.683 1.00 0.00 O ATOM 0 H SER A 62 -3.184 -6.407 -19.450 1.00 0.00 H new ATOM 0 HA SER A 62 -1.079 -4.476 -19.314 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.009 -2.921 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.287 -4.090 -20.411 1.00 0.00 H new ATOM 0 HG SER A 62 -4.704 -5.218 -19.115 1.00 0.00 H new ATOM 972 N PHE A 63 -1.282 -3.474 -16.903 1.00 0.00 N ATOM 973 CA PHE A 63 -1.240 -3.089 -15.497 1.00 0.00 C ATOM 974 C PHE A 63 -2.660 -3.031 -14.931 1.00 0.00 C ATOM 975 O PHE A 63 -2.909 -3.347 -13.769 1.00 0.00 O ATOM 976 CB PHE A 63 -0.545 -1.729 -15.336 1.00 0.00 C ATOM 977 CG PHE A 63 -0.393 -1.284 -13.892 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.193 -2.148 -12.948 1.00 0.00 C ATOM 979 CD2 PHE A 63 -0.914 -0.046 -13.474 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.149 -1.832 -11.580 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.907 0.296 -12.110 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.408 -0.612 -11.160 1.00 0.00 C ATOM 0 H PHE A 63 -0.860 -2.790 -17.530 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.669 -3.835 -14.944 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.442 -1.779 -15.796 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.113 -0.975 -15.881 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.677 -3.056 -13.276 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.320 0.642 -14.201 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.543 -2.526 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.285 1.256 -11.792 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.453 -0.372 -10.108 1.00 0.00 H new ATOM 992 N GLU A 64 -3.605 -2.607 -15.768 1.00 0.00 N ATOM 993 CA GLU A 64 -5.010 -2.497 -15.430 1.00 0.00 C ATOM 994 C GLU A 64 -5.553 -3.873 -15.051 1.00 0.00 C ATOM 995 O GLU A 64 -6.121 -4.040 -13.974 1.00 0.00 O ATOM 996 CB GLU A 64 -5.754 -1.845 -16.607 1.00 0.00 C ATOM 997 CG GLU A 64 -5.409 -0.352 -16.785 1.00 0.00 C ATOM 998 CD GLU A 64 -3.919 -0.050 -16.984 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.310 -0.675 -17.883 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.396 0.774 -16.203 1.00 0.00 O ATOM 0 H GLU A 64 -3.401 -2.324 -16.726 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.161 -1.857 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.511 -2.380 -17.525 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.828 -1.948 -16.453 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.960 0.033 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.761 0.194 -15.909 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.334 -4.875 -15.904 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.709 -6.242 -15.574 1.00 0.00 C ATOM 1009 C GLU A 65 -4.911 -6.729 -14.362 1.00 0.00 C ATOM 1010 O GLU A 65 -5.462 -7.327 -13.442 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.470 -7.126 -16.796 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.478 -6.775 -17.893 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.041 -7.347 -19.230 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.974 -6.897 -19.706 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.789 -8.201 -19.749 1.00 0.00 O ATOM 0 H GLU A 65 -4.902 -4.763 -16.821 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.765 -6.290 -15.309 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.454 -6.986 -17.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.568 -8.176 -16.522 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.461 -7.166 -17.629 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.576 -5.692 -17.970 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.607 -6.458 -14.350 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.709 -6.891 -13.291 1.00 0.00 C ATOM 1024 C PHE A 66 -3.224 -6.445 -11.924 1.00 0.00 C ATOM 1025 O PHE A 66 -3.246 -7.231 -10.985 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.291 -6.380 -13.542 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.244 -7.056 -12.686 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.354 -8.256 -13.117 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.156 -6.474 -11.471 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.398 -8.828 -12.372 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.185 -7.061 -10.718 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.828 -8.214 -11.187 1.00 0.00 C ATOM 0 H PHE A 66 -3.143 -5.925 -15.086 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.678 -7.981 -13.294 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.041 -6.529 -14.592 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.262 -5.306 -13.356 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.010 -8.737 -14.021 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.328 -5.576 -11.117 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.869 -9.739 -12.711 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.481 -6.623 -9.776 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.657 -8.631 -10.634 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.680 -5.199 -11.796 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.252 -4.716 -10.546 1.00 0.00 C ATOM 1044 C GLN A 67 -5.405 -5.599 -10.051 1.00 0.00 C ATOM 1045 O GLN A 67 -5.572 -5.750 -8.842 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.677 -3.253 -10.693 1.00 0.00 C ATOM 1047 CG GLN A 67 -3.446 -2.340 -10.647 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.762 -0.972 -11.229 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.936 0.005 -10.508 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -3.835 -0.903 -12.550 1.00 0.00 N ATOM 0 H GLN A 67 -3.663 -4.507 -12.546 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.479 -4.775 -9.780 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.208 -3.113 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.368 -2.985 -9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.107 -2.232 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.629 -2.797 -11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.684 -1.740 -13.114 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.043 -0.013 -13.004 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.172 -6.227 -10.948 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.182 -7.201 -10.533 1.00 0.00 C ATOM 1061 C VAL A 68 -6.514 -8.395 -9.833 1.00 0.00 C ATOM 1062 O VAL A 68 -7.041 -8.914 -8.849 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.066 -7.641 -11.716 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.239 -8.497 -11.222 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.635 -6.431 -12.471 1.00 0.00 C ATOM 0 H VAL A 68 -6.113 -6.079 -11.956 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.847 -6.722 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.434 -8.221 -12.389 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.852 -8.799 -12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.855 -9.384 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.844 -7.917 -10.525 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.254 -6.777 -13.299 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.240 -5.830 -11.792 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.816 -5.826 -12.859 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.340 -8.828 -10.308 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.535 -9.809 -9.591 1.00 0.00 C ATOM 1077 C LEU A 69 -4.102 -9.211 -8.250 1.00 0.00 C ATOM 1078 O LEU A 69 -4.287 -9.842 -7.211 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.327 -10.266 -10.432 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.605 -11.484 -9.832 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -3.356 -12.790 -10.110 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -1.183 -11.585 -10.390 1.00 0.00 C ATOM 0 H LEU A 69 -4.931 -8.511 -11.187 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.133 -10.701 -9.403 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.664 -10.510 -11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.621 -9.440 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.569 -11.338 -8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.811 -13.624 -9.668 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.353 -12.736 -9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.439 -12.940 -11.186 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.683 -12.451 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.224 -11.694 -11.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.628 -10.682 -10.137 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.541 -7.995 -8.259 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.034 -7.355 -7.044 1.00 0.00 C ATOM 1096 C VAL A 70 -4.109 -7.316 -5.952 1.00 0.00 C ATOM 1097 O VAL A 70 -3.831 -7.614 -4.792 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.440 -5.960 -7.309 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -1.875 -5.339 -6.024 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.299 -6.038 -8.330 1.00 0.00 C ATOM 0 H VAL A 70 -3.427 -7.433 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.210 -7.971 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.252 -5.342 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.463 -4.355 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.672 -5.241 -5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.088 -5.980 -5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.895 -5.040 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.512 -6.687 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.678 -6.442 -9.269 1.00 0.00 H new