USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 THR OG1 : rot -78:sc= 1.46 USER MOD Set 1.2: A 8 GLN : amide:sc= 2.68 K(o=4.1,f=-0.91!) USER MOD Set 1.3: A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 THR OG1 : rot 152:sc= 0.0781 USER MOD Set 2.2: A 62 THR OG1 : rot -38:sc= 1.94 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 21 THR OG1 : rot -16:sc= 0.954 USER MOD Single : A 24 SER OG : rot -51:sc= 1.24 USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0301) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -173:sc= -0.695 (180deg=-0.994) USER MOD Single : A 44 LYS NZ :NH3+ 165:sc=-0.00355 (180deg=-0.169) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0252) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0135) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -131:sc= 0 (180deg=-0.151) USER MOD Single : A 53 SER OG : rot 77:sc= 1.16 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 70:sc= 1.12 USER MOD Single : A 70 THR OG1 : rot 75:sc= 1.05 USER MOD Single : A 71 MET CE :methyl -167:sc= -0.0158 (180deg=-0.244) USER MOD Single : A 72 MET CE :methyl 179:sc= -0.149 (180deg=-0.155) USER MOD Single : A 73 THR OG1 : rot 79:sc= 1.11 USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.00272 (180deg=0.00146) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.555 17.262 -0.745 1.00 0.00 N ATOM 2 CA ARG A 1 16.695 16.382 -1.068 1.00 0.00 C ATOM 3 C ARG A 1 16.771 16.129 -2.576 1.00 0.00 C ATOM 4 O ARG A 1 17.770 16.451 -3.213 1.00 0.00 O ATOM 5 CB ARG A 1 16.613 15.071 -0.270 1.00 0.00 C ATOM 6 CG ARG A 1 17.870 14.209 -0.453 1.00 0.00 C ATOM 7 CD ARG A 1 17.750 12.883 0.312 1.00 0.00 C ATOM 8 NE ARG A 1 17.554 13.087 1.755 1.00 0.00 N ATOM 9 CZ ARG A 1 18.517 13.391 2.638 1.00 0.00 C ATOM 10 NH1 ARG A 1 19.778 13.575 2.231 1.00 0.00 N ATOM 11 NH2 ARG A 1 18.209 13.507 3.933 1.00 0.00 N ATOM 0 H1 ARG A 1 15.520 17.422 0.282 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.670 18.173 -1.234 1.00 0.00 H new ATOM 0 H3 ARG A 1 14.670 16.812 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 1 17.617 16.883 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 1 16.479 15.298 0.788 1.00 0.00 H new ATOM 0 HB3 ARG A 1 15.736 14.507 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 1 18.025 14.008 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 1 18.744 14.757 -0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 1 16.914 12.309 -0.088 1.00 0.00 H new ATOM 0 HD3 ARG A 1 18.650 12.290 0.150 1.00 0.00 H new ATOM 0 HE ARG A 1 16.605 12.989 2.115 1.00 0.00 H new ATOM 0 HH11 ARG A 1 20.013 13.484 1.243 1.00 0.00 H new ATOM 0 HH12 ARG A 1 20.504 13.806 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 1 17.248 13.365 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 1 18.935 13.738 4.611 1.00 0.00 H new ATOM 25 N VAL A 2 15.707 15.559 -3.142 1.00 0.00 N ATOM 26 CA VAL A 2 15.586 15.256 -4.557 1.00 0.00 C ATOM 27 C VAL A 2 14.090 15.178 -4.863 1.00 0.00 C ATOM 28 O VAL A 2 13.293 14.975 -3.947 1.00 0.00 O ATOM 29 CB VAL A 2 16.352 13.957 -4.886 1.00 0.00 C ATOM 30 CG1 VAL A 2 15.801 12.738 -4.131 1.00 0.00 C ATOM 31 CG2 VAL A 2 16.374 13.666 -6.392 1.00 0.00 C ATOM 0 H VAL A 2 14.882 15.289 -2.606 1.00 0.00 H new ATOM 0 HA VAL A 2 16.034 16.024 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 2 17.374 14.129 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 2 16.377 11.853 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 2 15.879 12.909 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 2 14.755 12.586 -4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.924 12.743 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.352 13.559 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.862 14.489 -6.915 1.00 0.00 H new ATOM 41 N GLY A 3 13.708 15.376 -6.127 1.00 0.00 N ATOM 42 CA GLY A 3 12.321 15.345 -6.561 1.00 0.00 C ATOM 43 C GLY A 3 12.190 16.088 -7.884 1.00 0.00 C ATOM 44 O GLY A 3 11.772 15.509 -8.883 1.00 0.00 O ATOM 0 H GLY A 3 14.367 15.564 -6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.987 14.314 -6.675 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.682 15.805 -5.808 1.00 0.00 H new ATOM 48 N LEU A 4 12.582 17.365 -7.877 1.00 0.00 N ATOM 49 CA LEU A 4 12.627 18.241 -9.039 1.00 0.00 C ATOM 50 C LEU A 4 14.007 18.892 -9.102 1.00 0.00 C ATOM 51 O LEU A 4 14.206 19.997 -8.601 1.00 0.00 O ATOM 52 CB LEU A 4 11.531 19.305 -8.946 1.00 0.00 C ATOM 53 CG LEU A 4 10.110 18.731 -9.051 1.00 0.00 C ATOM 54 CD1 LEU A 4 9.144 19.893 -8.847 1.00 0.00 C ATOM 55 CD2 LEU A 4 9.830 18.092 -10.418 1.00 0.00 C ATOM 0 H LEU A 4 12.888 17.831 -7.023 1.00 0.00 H new ATOM 0 HA LEU A 4 12.453 17.664 -9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.631 19.836 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.678 20.037 -9.740 1.00 0.00 H new ATOM 0 HG LEU A 4 9.991 17.948 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.119 19.530 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.309 20.335 -7.864 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.313 20.646 -9.617 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.812 17.703 -10.436 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.946 18.842 -11.201 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.533 17.277 -10.589 1.00 0.00 H new ATOM 67 N THR A 5 14.973 18.200 -9.703 1.00 0.00 N ATOM 68 CA THR A 5 16.297 18.754 -9.937 1.00 0.00 C ATOM 69 C THR A 5 16.219 19.921 -10.927 1.00 0.00 C ATOM 70 O THR A 5 15.279 20.022 -11.717 1.00 0.00 O ATOM 71 CB THR A 5 17.226 17.661 -10.483 1.00 0.00 C ATOM 72 OG1 THR A 5 16.676 17.112 -11.663 1.00 0.00 O ATOM 73 CG2 THR A 5 17.459 16.548 -9.456 1.00 0.00 C ATOM 0 H THR A 5 14.857 17.244 -10.039 1.00 0.00 H new ATOM 0 HA THR A 5 16.697 19.126 -8.994 1.00 0.00 H new ATOM 0 HB THR A 5 18.189 18.122 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 5 15.956 16.490 -11.430 1.00 0.00 H new ATOM 0 HG21 THR A 5 18.122 15.794 -9.881 1.00 0.00 H new ATOM 0 HG22 THR A 5 17.916 16.969 -8.560 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.506 16.088 -9.195 1.00 0.00 H new ATOM 81 N GLU A 6 17.241 20.781 -10.931 1.00 0.00 N ATOM 82 CA GLU A 6 17.377 21.825 -11.929 1.00 0.00 C ATOM 83 C GLU A 6 17.321 21.223 -13.340 1.00 0.00 C ATOM 84 O GLU A 6 16.787 21.827 -14.267 1.00 0.00 O ATOM 85 CB GLU A 6 18.698 22.566 -11.685 1.00 0.00 C ATOM 86 CG GLU A 6 18.727 23.894 -12.441 1.00 0.00 C ATOM 87 CD GLU A 6 20.071 24.597 -12.275 1.00 0.00 C ATOM 88 OE1 GLU A 6 21.014 24.184 -12.983 1.00 0.00 O ATOM 89 OE2 GLU A 6 20.130 25.519 -11.433 1.00 0.00 O ATOM 0 H GLU A 6 17.992 20.767 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 6 16.553 22.534 -11.848 1.00 0.00 H new ATOM 0 HB2 GLU A 6 18.826 22.748 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 6 19.533 21.943 -12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 6 18.535 23.717 -13.499 1.00 0.00 H new ATOM 0 HG3 GLU A 6 17.929 24.540 -12.076 1.00 0.00 H new ATOM 96 N GLU A 7 17.896 20.034 -13.522 1.00 0.00 N ATOM 97 CA GLU A 7 17.849 19.324 -14.789 1.00 0.00 C ATOM 98 C GLU A 7 16.397 19.003 -15.146 1.00 0.00 C ATOM 99 O GLU A 7 15.951 19.348 -16.239 1.00 0.00 O ATOM 100 CB GLU A 7 18.712 18.054 -14.722 1.00 0.00 C ATOM 101 CG GLU A 7 20.222 18.351 -14.661 1.00 0.00 C ATOM 102 CD GLU A 7 20.672 19.092 -13.402 1.00 0.00 C ATOM 103 OE1 GLU A 7 20.076 18.824 -12.333 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.587 19.932 -13.534 1.00 0.00 O ATOM 0 H GLU A 7 18.407 19.540 -12.790 1.00 0.00 H new ATOM 0 HA GLU A 7 18.259 19.956 -15.576 1.00 0.00 H new ATOM 0 HB2 GLU A 7 18.426 17.474 -13.845 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.505 17.435 -15.595 1.00 0.00 H new ATOM 0 HG2 GLU A 7 20.768 17.410 -14.728 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.499 18.942 -15.534 1.00 0.00 H new ATOM 111 N GLN A 8 15.641 18.393 -14.226 1.00 0.00 N ATOM 112 CA GLN A 8 14.218 18.168 -14.459 1.00 0.00 C ATOM 113 C GLN A 8 13.516 19.478 -14.830 1.00 0.00 C ATOM 114 O GLN A 8 12.777 19.510 -15.808 1.00 0.00 O ATOM 115 CB GLN A 8 13.554 17.508 -13.248 1.00 0.00 C ATOM 116 CG GLN A 8 13.956 16.034 -13.132 1.00 0.00 C ATOM 117 CD GLN A 8 13.626 15.532 -11.736 1.00 0.00 C ATOM 118 OE1 GLN A 8 14.455 15.642 -10.836 1.00 0.00 O ATOM 119 NE2 GLN A 8 12.405 15.058 -11.525 1.00 0.00 N ATOM 0 H GLN A 8 15.987 18.053 -13.329 1.00 0.00 H new ATOM 0 HA GLN A 8 14.119 17.482 -15.300 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.839 18.038 -12.339 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.470 17.587 -13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.427 15.441 -13.879 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.022 15.919 -13.330 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.746 14.983 -12.300 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.125 14.769 -10.588 1.00 0.00 H new ATOM 128 N LYS A 9 13.755 20.564 -14.087 1.00 0.00 N ATOM 129 CA LYS A 9 13.145 21.849 -14.421 1.00 0.00 C ATOM 130 C LYS A 9 13.474 22.263 -15.862 1.00 0.00 C ATOM 131 O LYS A 9 12.573 22.632 -16.614 1.00 0.00 O ATOM 132 CB LYS A 9 13.562 22.934 -13.420 1.00 0.00 C ATOM 133 CG LYS A 9 13.052 22.629 -12.007 1.00 0.00 C ATOM 134 CD LYS A 9 13.485 23.736 -11.040 1.00 0.00 C ATOM 135 CE LYS A 9 13.207 23.307 -9.596 1.00 0.00 C ATOM 136 NZ LYS A 9 13.560 24.370 -8.641 1.00 0.00 N ATOM 0 H LYS A 9 14.357 20.577 -13.264 1.00 0.00 H new ATOM 0 HA LYS A 9 12.063 21.732 -14.352 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.649 23.016 -13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.174 23.899 -13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.965 22.547 -12.014 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.442 21.668 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.547 23.947 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.948 24.657 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.152 23.054 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.776 22.406 -9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.360 24.047 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.572 24.594 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.998 25.221 -8.846 1.00 0.00 H new ATOM 150 N GLN A 10 14.749 22.185 -16.260 1.00 0.00 N ATOM 151 CA GLN A 10 15.170 22.481 -17.626 1.00 0.00 C ATOM 152 C GLN A 10 14.409 21.611 -18.633 1.00 0.00 C ATOM 153 O GLN A 10 13.840 22.132 -19.591 1.00 0.00 O ATOM 154 CB GLN A 10 16.689 22.306 -17.772 1.00 0.00 C ATOM 155 CG GLN A 10 17.446 23.404 -17.018 1.00 0.00 C ATOM 156 CD GLN A 10 18.928 23.087 -16.887 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.739 23.476 -17.720 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.284 22.376 -15.824 1.00 0.00 N ATOM 0 H GLN A 10 15.514 21.915 -15.642 1.00 0.00 H new ATOM 0 HA GLN A 10 14.930 23.522 -17.842 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.984 21.329 -17.390 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.961 22.331 -18.827 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.323 24.353 -17.540 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.012 23.527 -16.026 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.578 22.072 -15.154 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.264 22.134 -15.677 1.00 0.00 H new ATOM 167 N GLU A 11 14.389 20.293 -18.421 1.00 0.00 N ATOM 168 CA GLU A 11 13.686 19.353 -19.289 1.00 0.00 C ATOM 169 C GLU A 11 12.210 19.744 -19.433 1.00 0.00 C ATOM 170 O GLU A 11 11.690 19.856 -20.544 1.00 0.00 O ATOM 171 CB GLU A 11 13.828 17.930 -18.730 1.00 0.00 C ATOM 172 CG GLU A 11 15.275 17.416 -18.805 1.00 0.00 C ATOM 173 CD GLU A 11 15.466 16.165 -17.951 1.00 0.00 C ATOM 174 OE1 GLU A 11 14.832 15.144 -18.294 1.00 0.00 O ATOM 175 OE2 GLU A 11 16.229 16.256 -16.965 1.00 0.00 O ATOM 0 H GLU A 11 14.864 19.848 -17.636 1.00 0.00 H new ATOM 0 HA GLU A 11 14.132 19.385 -20.283 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.492 17.914 -17.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.176 17.257 -19.286 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.531 17.194 -19.841 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.958 18.196 -18.468 1.00 0.00 H new ATOM 182 N ILE A 12 11.531 19.962 -18.304 1.00 0.00 N ATOM 183 CA ILE A 12 10.129 20.358 -18.281 1.00 0.00 C ATOM 184 C ILE A 12 9.950 21.673 -19.049 1.00 0.00 C ATOM 185 O ILE A 12 9.041 21.783 -19.867 1.00 0.00 O ATOM 186 CB ILE A 12 9.615 20.425 -16.828 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.607 19.009 -16.215 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.194 21.001 -16.752 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.267 19.002 -14.722 1.00 0.00 C ATOM 0 H ILE A 12 11.945 19.867 -17.377 1.00 0.00 H new ATOM 0 HA ILE A 12 9.519 19.609 -18.787 1.00 0.00 H new ATOM 0 HB ILE A 12 10.285 21.082 -16.273 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.884 18.393 -16.749 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.585 18.551 -16.361 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.869 21.031 -15.712 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.188 22.010 -17.164 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.515 20.371 -17.326 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.278 17.977 -14.351 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.004 19.592 -14.178 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.276 19.432 -14.572 1.00 0.00 H new ATOM 201 N ARG A 13 10.804 22.670 -18.805 1.00 0.00 N ATOM 202 CA ARG A 13 10.733 23.945 -19.507 1.00 0.00 C ATOM 203 C ARG A 13 10.890 23.745 -21.019 1.00 0.00 C ATOM 204 O ARG A 13 10.103 24.277 -21.800 1.00 0.00 O ATOM 205 CB ARG A 13 11.769 24.925 -18.930 1.00 0.00 C ATOM 206 CG ARG A 13 11.664 26.327 -19.548 1.00 0.00 C ATOM 207 CD ARG A 13 10.419 27.096 -19.080 1.00 0.00 C ATOM 208 NE ARG A 13 9.853 27.911 -20.161 1.00 0.00 N ATOM 209 CZ ARG A 13 8.906 28.846 -19.997 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.426 29.122 -18.779 1.00 0.00 N ATOM 211 NH2 ARG A 13 8.438 29.496 -21.068 1.00 0.00 N ATOM 0 H ARG A 13 11.557 22.613 -18.120 1.00 0.00 H new ATOM 0 HA ARG A 13 9.748 24.385 -19.352 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.634 24.997 -17.851 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.771 24.531 -19.101 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.556 26.899 -19.292 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.643 26.239 -20.634 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.668 26.392 -18.722 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.681 27.737 -18.238 1.00 0.00 H new ATOM 0 HE ARG A 13 10.205 27.755 -21.105 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.780 28.619 -17.965 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.706 29.835 -18.664 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.801 29.278 -21.996 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.718 30.209 -20.957 1.00 0.00 H new ATOM 225 N GLU A 14 11.889 22.965 -21.441 1.00 0.00 N ATOM 226 CA GLU A 14 12.116 22.657 -22.839 1.00 0.00 C ATOM 227 C GLU A 14 10.861 22.030 -23.455 1.00 0.00 C ATOM 228 O GLU A 14 10.356 22.513 -24.469 1.00 0.00 O ATOM 229 CB GLU A 14 13.343 21.743 -22.942 1.00 0.00 C ATOM 230 CG GLU A 14 13.784 21.594 -24.397 1.00 0.00 C ATOM 231 CD GLU A 14 15.031 20.723 -24.512 1.00 0.00 C ATOM 232 OE1 GLU A 14 14.896 19.507 -24.255 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.095 21.289 -24.840 1.00 0.00 O ATOM 0 H GLU A 14 12.563 22.531 -20.811 1.00 0.00 H new ATOM 0 HA GLU A 14 12.317 23.566 -23.407 1.00 0.00 H new ATOM 0 HB2 GLU A 14 14.160 22.154 -22.349 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.109 20.763 -22.525 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.976 21.154 -24.981 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.985 22.578 -24.821 1.00 0.00 H new ATOM 240 N ALA A 15 10.345 20.968 -22.826 1.00 0.00 N ATOM 241 CA ALA A 15 9.125 20.307 -23.271 1.00 0.00 C ATOM 242 C ALA A 15 7.977 21.313 -23.380 1.00 0.00 C ATOM 243 O ALA A 15 7.296 21.373 -24.400 1.00 0.00 O ATOM 244 CB ALA A 15 8.774 19.164 -22.314 1.00 0.00 C ATOM 0 H ALA A 15 10.764 20.548 -21.997 1.00 0.00 H new ATOM 0 HA ALA A 15 9.289 19.886 -24.263 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.861 18.674 -22.652 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.589 18.441 -22.297 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.622 19.563 -21.311 1.00 0.00 H new ATOM 250 N PHE A 16 7.781 22.118 -22.335 1.00 0.00 N ATOM 251 CA PHE A 16 6.758 23.150 -22.286 1.00 0.00 C ATOM 252 C PHE A 16 6.854 24.068 -23.506 1.00 0.00 C ATOM 253 O PHE A 16 5.898 24.199 -24.271 1.00 0.00 O ATOM 254 CB PHE A 16 6.885 23.946 -20.978 1.00 0.00 C ATOM 255 CG PHE A 16 5.908 25.093 -20.848 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.573 24.834 -20.499 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.325 26.414 -21.100 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.658 25.891 -20.375 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.409 27.472 -20.976 1.00 0.00 C ATOM 260 CZ PHE A 16 4.085 27.212 -20.588 1.00 0.00 C ATOM 0 H PHE A 16 8.343 22.066 -21.485 1.00 0.00 H new ATOM 0 HA PHE A 16 5.776 22.678 -22.309 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.743 23.266 -20.138 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.899 24.338 -20.902 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.249 23.818 -20.325 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.347 26.613 -21.388 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.629 25.689 -20.117 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.723 28.485 -21.179 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.393 28.030 -20.453 1.00 0.00 H new ATOM 270 N ASP A 17 8.024 24.687 -23.690 1.00 0.00 N ATOM 271 CA ASP A 17 8.281 25.604 -24.790 1.00 0.00 C ATOM 272 C ASP A 17 8.017 24.919 -26.128 1.00 0.00 C ATOM 273 O ASP A 17 7.334 25.484 -26.978 1.00 0.00 O ATOM 274 CB ASP A 17 9.718 26.145 -24.728 1.00 0.00 C ATOM 275 CG ASP A 17 9.956 27.097 -23.558 1.00 0.00 C ATOM 276 OD1 ASP A 17 9.053 27.920 -23.285 1.00 0.00 O ATOM 277 OD2 ASP A 17 11.051 27.012 -22.965 1.00 0.00 O ATOM 0 H ASP A 17 8.824 24.560 -23.070 1.00 0.00 H new ATOM 0 HA ASP A 17 7.600 26.450 -24.697 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.411 25.307 -24.652 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.944 26.663 -25.660 1.00 0.00 H new ATOM 282 N LEU A 18 8.544 23.705 -26.321 1.00 0.00 N ATOM 283 CA LEU A 18 8.308 22.948 -27.541 1.00 0.00 C ATOM 284 C LEU A 18 6.809 22.787 -27.785 1.00 0.00 C ATOM 285 O LEU A 18 6.322 23.101 -28.868 1.00 0.00 O ATOM 286 CB LEU A 18 9.030 21.594 -27.481 1.00 0.00 C ATOM 287 CG LEU A 18 8.825 20.764 -28.764 1.00 0.00 C ATOM 288 CD1 LEU A 18 10.085 19.955 -29.068 1.00 0.00 C ATOM 289 CD2 LEU A 18 7.651 19.779 -28.650 1.00 0.00 C ATOM 0 H LEU A 18 9.138 23.230 -25.641 1.00 0.00 H new ATOM 0 HA LEU A 18 8.720 23.498 -28.387 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.096 21.760 -27.325 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.666 21.028 -26.623 1.00 0.00 H new ATOM 0 HG LEU A 18 8.607 21.476 -29.560 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.932 19.371 -29.976 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.927 20.633 -29.210 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.296 19.283 -28.236 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.552 19.221 -29.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.836 19.086 -27.830 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.731 20.331 -28.458 1.00 0.00 H new ATOM 301 N PHE A 19 6.077 22.281 -26.789 1.00 0.00 N ATOM 302 CA PHE A 19 4.649 22.053 -26.926 1.00 0.00 C ATOM 303 C PHE A 19 3.911 23.360 -27.209 1.00 0.00 C ATOM 304 O PHE A 19 2.988 23.367 -28.022 1.00 0.00 O ATOM 305 CB PHE A 19 4.083 21.361 -25.683 1.00 0.00 C ATOM 306 CG PHE A 19 4.586 19.955 -25.393 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.813 19.027 -26.430 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.646 19.519 -24.056 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.153 17.698 -26.131 1.00 0.00 C ATOM 310 CE2 PHE A 19 4.936 18.176 -23.758 1.00 0.00 C ATOM 311 CZ PHE A 19 5.220 17.270 -24.794 1.00 0.00 C ATOM 0 H PHE A 19 6.458 22.023 -25.879 1.00 0.00 H new ATOM 0 HA PHE A 19 4.495 21.390 -27.778 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.302 21.986 -24.817 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.998 21.320 -25.781 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.725 19.340 -27.460 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.468 20.220 -23.254 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.364 17.003 -26.930 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.941 17.840 -22.732 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.489 16.250 -24.564 1.00 0.00 H new ATOM 321 N ASP A 20 4.313 24.471 -26.583 1.00 0.00 N ATOM 322 CA ASP A 20 3.805 25.790 -26.941 1.00 0.00 C ATOM 323 C ASP A 20 4.421 26.237 -28.274 1.00 0.00 C ATOM 324 O ASP A 20 5.092 27.263 -28.346 1.00 0.00 O ATOM 325 CB ASP A 20 4.075 26.794 -25.811 1.00 0.00 C ATOM 326 CG ASP A 20 3.485 28.181 -26.082 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.687 28.321 -27.036 1.00 0.00 O ATOM 328 OD2 ASP A 20 3.860 29.103 -25.325 1.00 0.00 O ATOM 0 H ASP A 20 4.993 24.477 -25.822 1.00 0.00 H new ATOM 0 HA ASP A 20 2.724 25.743 -27.073 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.660 26.405 -24.881 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.151 26.886 -25.665 1.00 0.00 H new ATOM 333 N THR A 21 4.153 25.483 -29.343 1.00 0.00 N ATOM 334 CA THR A 21 4.636 25.750 -30.688 1.00 0.00 C ATOM 335 C THR A 21 4.308 27.181 -31.125 1.00 0.00 C ATOM 336 O THR A 21 5.119 27.831 -31.780 1.00 0.00 O ATOM 337 CB THR A 21 4.047 24.718 -31.664 1.00 0.00 C ATOM 338 OG1 THR A 21 2.631 24.709 -31.615 1.00 0.00 O ATOM 339 CG2 THR A 21 4.556 23.301 -31.382 1.00 0.00 C ATOM 0 H THR A 21 3.575 24.644 -29.288 1.00 0.00 H new ATOM 0 HA THR A 21 5.722 25.657 -30.694 1.00 0.00 H new ATOM 0 HB THR A 21 4.378 25.021 -32.657 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.329 25.165 -30.802 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.113 22.607 -32.096 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.641 23.278 -31.479 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.276 23.009 -30.370 1.00 0.00 H new ATOM 347 N ASP A 22 3.121 27.675 -30.758 1.00 0.00 N ATOM 348 CA ASP A 22 2.698 29.031 -31.092 1.00 0.00 C ATOM 349 C ASP A 22 3.548 30.092 -30.382 1.00 0.00 C ATOM 350 O ASP A 22 3.602 31.235 -30.828 1.00 0.00 O ATOM 351 CB ASP A 22 1.216 29.200 -30.741 1.00 0.00 C ATOM 352 CG ASP A 22 0.696 30.569 -31.175 1.00 0.00 C ATOM 353 OD1 ASP A 22 0.392 30.699 -32.380 1.00 0.00 O ATOM 354 OD2 ASP A 22 0.605 31.457 -30.299 1.00 0.00 O ATOM 0 H ASP A 22 2.432 27.146 -30.224 1.00 0.00 H new ATOM 0 HA ASP A 22 2.841 29.179 -32.162 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.633 28.417 -31.226 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.079 29.080 -29.666 1.00 0.00 H new ATOM 359 N GLY A 23 4.196 29.735 -29.270 1.00 0.00 N ATOM 360 CA GLY A 23 4.958 30.666 -28.456 1.00 0.00 C ATOM 361 C GLY A 23 4.044 31.673 -27.761 1.00 0.00 C ATOM 362 O GLY A 23 4.427 32.823 -27.562 1.00 0.00 O ATOM 0 H GLY A 23 4.202 28.780 -28.912 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.530 30.115 -27.709 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.677 31.195 -29.082 1.00 0.00 H new ATOM 366 N SER A 24 2.841 31.245 -27.361 1.00 0.00 N ATOM 367 CA SER A 24 1.885 32.110 -26.685 1.00 0.00 C ATOM 368 C SER A 24 2.375 32.527 -25.294 1.00 0.00 C ATOM 369 O SER A 24 1.925 33.538 -24.761 1.00 0.00 O ATOM 370 CB SER A 24 0.536 31.393 -26.583 1.00 0.00 C ATOM 371 OG SER A 24 0.268 30.674 -27.770 1.00 0.00 O ATOM 0 H SER A 24 2.510 30.290 -27.499 1.00 0.00 H new ATOM 0 HA SER A 24 1.775 33.021 -27.273 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.543 30.712 -25.732 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.256 32.120 -26.404 1.00 0.00 H new ATOM 0 HG SER A 24 0.386 31.264 -28.544 1.00 0.00 H new ATOM 377 N GLY A 25 3.243 31.712 -24.683 1.00 0.00 N ATOM 378 CA GLY A 25 3.659 31.825 -23.291 1.00 0.00 C ATOM 379 C GLY A 25 3.000 30.734 -22.443 1.00 0.00 C ATOM 380 O GLY A 25 3.483 30.413 -21.359 1.00 0.00 O ATOM 0 H GLY A 25 3.687 30.931 -25.166 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.744 31.742 -23.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.389 32.807 -22.903 1.00 0.00 H new ATOM 384 N THR A 26 1.897 30.171 -22.942 1.00 0.00 N ATOM 385 CA THR A 26 1.082 29.156 -22.306 1.00 0.00 C ATOM 386 C THR A 26 0.707 28.126 -23.377 1.00 0.00 C ATOM 387 O THR A 26 0.600 28.473 -24.552 1.00 0.00 O ATOM 388 CB THR A 26 -0.125 29.830 -21.646 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.896 30.510 -22.613 1.00 0.00 O ATOM 390 CG2 THR A 26 0.283 30.863 -20.590 1.00 0.00 C ATOM 0 H THR A 26 1.534 30.434 -23.858 1.00 0.00 H new ATOM 0 HA THR A 26 1.610 28.629 -21.511 1.00 0.00 H new ATOM 0 HB THR A 26 -0.692 29.031 -21.169 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.830 30.548 -22.319 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.610 31.310 -20.154 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.863 30.374 -19.807 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.887 31.641 -21.057 1.00 0.00 H new ATOM 398 N ILE A 27 0.555 26.853 -23.001 1.00 0.00 N ATOM 399 CA ILE A 27 0.196 25.793 -23.940 1.00 0.00 C ATOM 400 C ILE A 27 -1.312 25.859 -24.164 1.00 0.00 C ATOM 401 O ILE A 27 -2.064 25.751 -23.197 1.00 0.00 O ATOM 402 CB ILE A 27 0.624 24.424 -23.382 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.156 24.343 -23.366 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.065 23.258 -24.210 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.639 23.077 -22.665 1.00 0.00 C ATOM 0 H ILE A 27 0.677 26.532 -22.041 1.00 0.00 H new ATOM 0 HA ILE A 27 0.711 25.927 -24.891 1.00 0.00 H new ATOM 0 HB ILE A 27 0.221 24.336 -22.373 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.534 24.361 -24.388 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.563 25.219 -22.860 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.394 22.313 -23.777 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.024 23.299 -24.206 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.428 23.333 -25.235 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.729 23.051 -22.671 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.282 23.073 -21.635 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.252 22.202 -23.187 1.00 0.00 H new ATOM 417 N ASP A 28 -1.777 26.012 -25.406 1.00 0.00 N ATOM 418 CA ASP A 28 -3.204 25.921 -25.697 1.00 0.00 C ATOM 419 C ASP A 28 -3.683 24.476 -25.533 1.00 0.00 C ATOM 420 O ASP A 28 -2.949 23.550 -25.867 1.00 0.00 O ATOM 421 CB ASP A 28 -3.483 26.430 -27.116 1.00 0.00 C ATOM 422 CG ASP A 28 -4.974 26.376 -27.435 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.420 25.302 -27.895 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.646 27.399 -27.186 1.00 0.00 O ATOM 0 H ASP A 28 -1.189 26.198 -26.219 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.753 26.546 -24.993 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.123 27.454 -27.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.931 25.827 -27.837 1.00 0.00 H new ATOM 429 N ALA A 29 -4.920 24.272 -25.068 1.00 0.00 N ATOM 430 CA ALA A 29 -5.543 22.953 -24.956 1.00 0.00 C ATOM 431 C ALA A 29 -5.237 22.036 -26.153 1.00 0.00 C ATOM 432 O ALA A 29 -4.864 20.880 -25.965 1.00 0.00 O ATOM 433 CB ALA A 29 -7.054 23.124 -24.776 1.00 0.00 C ATOM 0 H ALA A 29 -5.524 25.032 -24.755 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.115 22.459 -24.084 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.524 22.144 -24.692 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.250 23.699 -23.871 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.466 23.651 -25.637 1.00 0.00 H new ATOM 439 N LYS A 30 -5.361 22.548 -27.382 1.00 0.00 N ATOM 440 CA LYS A 30 -5.057 21.784 -28.587 1.00 0.00 C ATOM 441 C LYS A 30 -3.589 21.340 -28.602 1.00 0.00 C ATOM 442 O LYS A 30 -3.287 20.179 -28.876 1.00 0.00 O ATOM 443 CB LYS A 30 -5.387 22.615 -29.834 1.00 0.00 C ATOM 444 CG LYS A 30 -6.885 22.943 -29.919 1.00 0.00 C ATOM 445 CD LYS A 30 -7.207 23.897 -31.079 1.00 0.00 C ATOM 446 CE LYS A 30 -6.810 23.362 -32.462 1.00 0.00 C ATOM 447 NZ LYS A 30 -7.420 22.051 -32.745 1.00 0.00 N ATOM 0 H LYS A 30 -5.674 23.501 -27.565 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.675 20.886 -28.591 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.812 23.541 -29.817 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.083 22.068 -30.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.451 22.020 -30.043 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.210 23.392 -28.981 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.277 24.107 -31.076 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.696 24.845 -30.908 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.114 24.076 -33.227 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.725 23.276 -32.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.167 21.751 -33.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.070 21.350 -32.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.454 22.125 -32.666 1.00 0.00 H new ATOM 461 N GLU A 31 -2.670 22.257 -28.290 1.00 0.00 N ATOM 462 CA GLU A 31 -1.256 21.936 -28.181 1.00 0.00 C ATOM 463 C GLU A 31 -1.043 20.880 -27.090 1.00 0.00 C ATOM 464 O GLU A 31 -0.232 19.973 -27.263 1.00 0.00 O ATOM 465 CB GLU A 31 -0.433 23.199 -27.900 1.00 0.00 C ATOM 466 CG GLU A 31 -0.431 24.198 -29.066 1.00 0.00 C ATOM 467 CD GLU A 31 0.347 25.465 -28.707 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.013 26.068 -27.670 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.281 25.807 -29.469 1.00 0.00 O ATOM 0 H GLU A 31 -2.889 23.236 -28.108 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.912 21.524 -29.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.828 23.691 -27.011 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.594 22.912 -27.676 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.013 23.733 -29.946 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.457 24.459 -29.326 1.00 0.00 H new ATOM 476 N LEU A 32 -1.775 20.968 -25.974 1.00 0.00 N ATOM 477 CA LEU A 32 -1.701 19.942 -24.939 1.00 0.00 C ATOM 478 C LEU A 32 -2.179 18.595 -25.492 1.00 0.00 C ATOM 479 O LEU A 32 -1.562 17.568 -25.231 1.00 0.00 O ATOM 480 CB LEU A 32 -2.491 20.326 -23.679 1.00 0.00 C ATOM 481 CG LEU A 32 -1.955 19.591 -22.433 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.659 20.217 -21.896 1.00 0.00 C ATOM 483 CD2 LEU A 32 -3.031 19.591 -21.339 1.00 0.00 C ATOM 0 H LEU A 32 -2.418 21.733 -25.769 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.656 19.854 -24.641 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.429 21.403 -23.523 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.544 20.085 -23.821 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.718 18.569 -22.728 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.323 19.663 -21.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.111 20.177 -22.667 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.843 21.255 -21.620 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.654 19.072 -20.458 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.282 20.618 -21.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.923 19.083 -21.706 1.00 0.00 H new ATOM 495 N LYS A 33 -3.275 18.577 -26.252 1.00 0.00 N ATOM 496 CA LYS A 33 -3.757 17.354 -26.880 1.00 0.00 C ATOM 497 C LYS A 33 -2.676 16.761 -27.791 1.00 0.00 C ATOM 498 O LYS A 33 -2.379 15.570 -27.698 1.00 0.00 O ATOM 499 CB LYS A 33 -5.089 17.622 -27.590 1.00 0.00 C ATOM 500 CG LYS A 33 -5.716 16.343 -28.158 1.00 0.00 C ATOM 501 CD LYS A 33 -7.052 16.676 -28.835 1.00 0.00 C ATOM 502 CE LYS A 33 -7.671 15.419 -29.452 1.00 0.00 C ATOM 503 NZ LYS A 33 -8.939 15.728 -30.137 1.00 0.00 N ATOM 0 H LYS A 33 -3.845 19.401 -26.446 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.959 16.596 -26.123 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.784 18.084 -26.889 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.930 18.335 -28.399 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.038 15.883 -28.877 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.873 15.618 -27.359 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.739 17.106 -28.105 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.897 17.429 -29.608 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.971 14.976 -30.160 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.847 14.678 -28.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.334 14.857 -30.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.614 16.128 -29.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.765 16.417 -30.896 1.00 0.00 H new ATOM 517 N VAL A 34 -2.060 17.585 -28.644 1.00 0.00 N ATOM 518 CA VAL A 34 -0.928 17.149 -29.459 1.00 0.00 C ATOM 519 C VAL A 34 0.179 16.572 -28.568 1.00 0.00 C ATOM 520 O VAL A 34 0.680 15.479 -28.831 1.00 0.00 O ATOM 521 CB VAL A 34 -0.424 18.306 -30.343 1.00 0.00 C ATOM 522 CG1 VAL A 34 0.903 17.959 -31.035 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.465 18.647 -31.417 1.00 0.00 C ATOM 0 H VAL A 34 -2.329 18.559 -28.786 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.253 16.352 -30.128 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.263 19.162 -29.688 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.224 18.801 -31.649 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.662 17.749 -30.282 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.765 17.081 -31.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.096 19.466 -32.034 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.642 17.772 -32.043 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.398 18.945 -30.938 1.00 0.00 H new ATOM 533 N ALA A 35 0.562 17.289 -27.510 1.00 0.00 N ATOM 534 CA ALA A 35 1.568 16.829 -26.563 1.00 0.00 C ATOM 535 C ALA A 35 1.208 15.445 -26.022 1.00 0.00 C ATOM 536 O ALA A 35 2.034 14.539 -26.017 1.00 0.00 O ATOM 537 CB ALA A 35 1.718 17.838 -25.422 1.00 0.00 C ATOM 0 H ALA A 35 0.179 18.208 -27.289 1.00 0.00 H new ATOM 0 HA ALA A 35 2.524 16.748 -27.081 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.473 17.484 -24.720 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.024 18.803 -25.827 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.765 17.947 -24.905 1.00 0.00 H new ATOM 543 N MET A 36 -0.033 15.268 -25.576 1.00 0.00 N ATOM 544 CA MET A 36 -0.517 14.006 -25.046 1.00 0.00 C ATOM 545 C MET A 36 -0.475 12.902 -26.105 1.00 0.00 C ATOM 546 O MET A 36 -0.044 11.789 -25.805 1.00 0.00 O ATOM 547 CB MET A 36 -1.879 14.222 -24.383 1.00 0.00 C ATOM 548 CG MET A 36 -1.659 14.952 -23.048 1.00 0.00 C ATOM 549 SD MET A 36 -3.127 15.243 -22.036 1.00 0.00 S ATOM 550 CE MET A 36 -4.016 16.358 -23.133 1.00 0.00 C ATOM 0 H MET A 36 -0.735 16.008 -25.574 1.00 0.00 H new ATOM 0 HA MET A 36 0.148 13.643 -24.262 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.528 14.808 -25.033 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.375 13.266 -24.215 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.947 14.376 -22.458 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.194 15.915 -23.258 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.897 16.746 -22.622 1.00 0.00 H new ATOM 0 HE2 MET A 36 -3.366 17.186 -23.414 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.324 15.818 -24.028 1.00 0.00 H new ATOM 560 N ARG A 37 -0.852 13.192 -27.351 1.00 0.00 N ATOM 561 CA ARG A 37 -0.638 12.243 -28.439 1.00 0.00 C ATOM 562 C ARG A 37 0.846 11.883 -28.563 1.00 0.00 C ATOM 563 O ARG A 37 1.181 10.703 -28.646 1.00 0.00 O ATOM 564 CB ARG A 37 -1.210 12.771 -29.760 1.00 0.00 C ATOM 565 CG ARG A 37 -2.747 12.807 -29.775 1.00 0.00 C ATOM 566 CD ARG A 37 -3.387 11.415 -29.681 1.00 0.00 C ATOM 567 NE ARG A 37 -2.888 10.522 -30.738 1.00 0.00 N ATOM 568 CZ ARG A 37 -2.423 9.268 -30.600 1.00 0.00 C ATOM 569 NH1 ARG A 37 -2.363 8.646 -29.415 1.00 0.00 N ATOM 570 NH2 ARG A 37 -2.006 8.618 -31.692 1.00 0.00 N ATOM 0 H ARG A 37 -1.301 14.065 -27.628 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.179 11.327 -28.201 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.826 13.775 -29.941 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.858 12.143 -30.579 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.098 13.418 -28.943 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.083 13.293 -30.691 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.174 10.980 -28.705 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.470 11.505 -29.760 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.896 10.898 -31.686 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.678 9.125 -28.571 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.003 7.694 -29.357 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.045 9.075 -32.603 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.649 7.666 -31.613 1.00 0.00 H new ATOM 584 N ALA A 38 1.748 12.868 -28.529 1.00 0.00 N ATOM 585 CA ALA A 38 3.186 12.604 -28.543 1.00 0.00 C ATOM 586 C ALA A 38 3.611 11.732 -27.351 1.00 0.00 C ATOM 587 O ALA A 38 4.440 10.839 -27.506 1.00 0.00 O ATOM 588 CB ALA A 38 3.977 13.915 -28.603 1.00 0.00 C ATOM 0 H ALA A 38 1.505 13.858 -28.491 1.00 0.00 H new ATOM 0 HA ALA A 38 3.417 12.037 -29.445 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.045 13.696 -28.613 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.710 14.460 -29.509 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.739 14.524 -27.730 1.00 0.00 H new ATOM 594 N LEU A 39 3.019 11.957 -26.173 1.00 0.00 N ATOM 595 CA LEU A 39 3.212 11.127 -24.984 1.00 0.00 C ATOM 596 C LEU A 39 2.530 9.751 -25.112 1.00 0.00 C ATOM 597 O LEU A 39 2.613 8.944 -24.188 1.00 0.00 O ATOM 598 CB LEU A 39 2.693 11.863 -23.735 1.00 0.00 C ATOM 599 CG LEU A 39 3.442 13.164 -23.385 1.00 0.00 C ATOM 600 CD1 LEU A 39 2.595 14.035 -22.441 1.00 0.00 C ATOM 601 CD2 LEU A 39 4.785 12.854 -22.713 1.00 0.00 C ATOM 0 H LEU A 39 2.380 12.737 -26.019 1.00 0.00 H new ATOM 0 HA LEU A 39 4.283 10.948 -24.884 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.639 12.097 -23.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.753 11.187 -22.882 1.00 0.00 H new ATOM 0 HG LEU A 39 3.623 13.705 -24.314 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.139 14.950 -22.204 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.653 14.289 -22.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.392 13.485 -21.522 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.296 13.787 -22.475 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.612 12.291 -21.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.403 12.264 -23.390 1.00 0.00 H new ATOM 613 N GLY A 40 1.856 9.464 -26.230 1.00 0.00 N ATOM 614 CA GLY A 40 1.239 8.175 -26.506 1.00 0.00 C ATOM 615 C GLY A 40 -0.094 7.993 -25.781 1.00 0.00 C ATOM 616 O GLY A 40 -0.564 6.866 -25.633 1.00 0.00 O ATOM 0 H GLY A 40 1.725 10.141 -26.982 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.081 8.075 -27.580 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.921 7.379 -26.209 1.00 0.00 H new ATOM 620 N PHE A 41 -0.719 9.083 -25.331 1.00 0.00 N ATOM 621 CA PHE A 41 -1.998 9.021 -24.636 1.00 0.00 C ATOM 622 C PHE A 41 -3.124 8.832 -25.650 1.00 0.00 C ATOM 623 O PHE A 41 -2.976 9.175 -26.823 1.00 0.00 O ATOM 624 CB PHE A 41 -2.253 10.327 -23.874 1.00 0.00 C ATOM 625 CG PHE A 41 -1.403 10.633 -22.647 1.00 0.00 C ATOM 626 CD1 PHE A 41 -0.208 9.939 -22.366 1.00 0.00 C ATOM 627 CD2 PHE A 41 -1.821 11.659 -21.778 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.570 10.290 -21.248 1.00 0.00 C ATOM 629 CE2 PHE A 41 -1.044 12.009 -20.660 1.00 0.00 C ATOM 630 CZ PHE A 41 0.156 11.328 -20.397 1.00 0.00 C ATOM 0 H PHE A 41 -0.351 10.028 -25.440 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.970 8.185 -23.937 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.128 11.150 -24.577 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.297 10.330 -23.562 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.111 9.135 -23.012 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.746 12.181 -21.972 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.488 9.760 -21.043 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.370 12.802 -20.003 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.758 11.602 -19.543 1.00 0.00 H new ATOM 640 N GLU A 42 -4.276 8.355 -25.170 1.00 0.00 N ATOM 641 CA GLU A 42 -5.523 8.308 -25.916 1.00 0.00 C ATOM 642 C GLU A 42 -6.448 9.377 -25.312 1.00 0.00 C ATOM 643 O GLU A 42 -6.900 9.190 -24.184 1.00 0.00 O ATOM 644 CB GLU A 42 -6.125 6.899 -25.807 1.00 0.00 C ATOM 645 CG GLU A 42 -7.365 6.748 -26.698 1.00 0.00 C ATOM 646 CD GLU A 42 -7.894 5.317 -26.681 1.00 0.00 C ATOM 647 OE1 GLU A 42 -7.184 4.444 -27.225 1.00 0.00 O ATOM 648 OE2 GLU A 42 -8.995 5.122 -26.122 1.00 0.00 O ATOM 0 H GLU A 42 -4.362 7.982 -24.225 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.376 8.514 -26.976 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.377 6.159 -26.093 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.393 6.696 -24.770 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.145 7.429 -26.357 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.117 7.033 -27.720 1.00 0.00 H new ATOM 655 N PRO A 43 -6.689 10.505 -26.003 1.00 0.00 N ATOM 656 CA PRO A 43 -7.564 11.585 -25.562 1.00 0.00 C ATOM 657 C PRO A 43 -9.004 11.183 -25.204 1.00 0.00 C ATOM 658 O PRO A 43 -9.950 11.496 -25.926 1.00 0.00 O ATOM 659 CB PRO A 43 -7.515 12.626 -26.685 1.00 0.00 C ATOM 660 CG PRO A 43 -6.091 12.477 -27.209 1.00 0.00 C ATOM 661 CD PRO A 43 -5.859 10.971 -27.103 1.00 0.00 C ATOM 0 HA PRO A 43 -7.202 11.968 -24.608 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.256 12.424 -27.459 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.708 13.633 -26.314 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.997 12.831 -28.235 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.376 13.041 -26.610 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.129 10.470 -28.033 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -4.808 10.752 -26.916 1.00 0.00 H new ATOM 669 N LYS A 44 -9.182 10.553 -24.041 1.00 0.00 N ATOM 670 CA LYS A 44 -10.478 10.290 -23.437 1.00 0.00 C ATOM 671 C LYS A 44 -11.127 11.631 -23.073 1.00 0.00 C ATOM 672 O LYS A 44 -10.987 12.105 -21.948 1.00 0.00 O ATOM 673 CB LYS A 44 -10.291 9.405 -22.196 1.00 0.00 C ATOM 674 CG LYS A 44 -9.819 7.977 -22.501 1.00 0.00 C ATOM 675 CD LYS A 44 -10.874 7.170 -23.271 1.00 0.00 C ATOM 676 CE LYS A 44 -10.542 5.673 -23.271 1.00 0.00 C ATOM 677 NZ LYS A 44 -10.735 5.067 -21.941 1.00 0.00 N ATOM 0 H LYS A 44 -8.403 10.204 -23.482 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.129 9.761 -24.133 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.568 9.879 -21.532 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.236 9.355 -21.655 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.898 8.017 -23.083 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.584 7.467 -21.567 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.854 7.327 -22.821 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.933 7.531 -24.298 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.173 5.161 -23.998 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.509 5.530 -23.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.750 4.031 -22.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.954 5.349 -21.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.637 5.393 -21.538 1.00 0.00 H new ATOM 691 N LYS A 45 -11.805 12.240 -24.050 1.00 0.00 N ATOM 692 CA LYS A 45 -12.361 13.591 -24.031 1.00 0.00 C ATOM 693 C LYS A 45 -12.807 14.059 -22.641 1.00 0.00 C ATOM 694 O LYS A 45 -12.330 15.079 -22.155 1.00 0.00 O ATOM 695 CB LYS A 45 -13.522 13.685 -25.032 1.00 0.00 C ATOM 696 CG LYS A 45 -13.044 13.540 -26.486 1.00 0.00 C ATOM 697 CD LYS A 45 -14.213 13.501 -27.483 1.00 0.00 C ATOM 698 CE LYS A 45 -15.108 14.748 -27.458 1.00 0.00 C ATOM 699 NZ LYS A 45 -14.344 15.984 -27.703 1.00 0.00 N ATOM 0 H LYS A 45 -11.991 11.767 -24.935 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.556 14.265 -24.323 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.254 12.908 -24.812 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.028 14.643 -24.911 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.385 14.372 -26.734 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.456 12.628 -26.583 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.813 13.376 -28.489 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.826 12.624 -27.272 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.888 14.649 -28.213 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.607 14.816 -26.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.996 16.793 -27.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.662 16.129 -26.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.834 15.904 -28.606 1.00 0.00 H new ATOM 713 N GLU A 46 -13.723 13.337 -21.995 1.00 0.00 N ATOM 714 CA GLU A 46 -14.214 13.705 -20.674 1.00 0.00 C ATOM 715 C GLU A 46 -13.079 13.809 -19.643 1.00 0.00 C ATOM 716 O GLU A 46 -13.008 14.782 -18.890 1.00 0.00 O ATOM 717 CB GLU A 46 -15.364 12.779 -20.234 1.00 0.00 C ATOM 718 CG GLU A 46 -15.012 11.304 -19.962 1.00 0.00 C ATOM 719 CD GLU A 46 -14.526 10.520 -21.181 1.00 0.00 C ATOM 720 OE1 GLU A 46 -14.922 10.892 -22.308 1.00 0.00 O ATOM 721 OE2 GLU A 46 -13.757 9.561 -20.965 1.00 0.00 O ATOM 0 H GLU A 46 -14.141 12.487 -22.373 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.634 14.709 -20.737 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -15.805 13.194 -19.328 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -16.134 12.806 -21.005 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.240 11.266 -19.193 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -15.892 10.805 -19.555 1.00 0.00 H new ATOM 728 N GLU A 47 -12.177 12.823 -19.615 1.00 0.00 N ATOM 729 CA GLU A 47 -11.045 12.825 -18.701 1.00 0.00 C ATOM 730 C GLU A 47 -10.097 13.971 -19.052 1.00 0.00 C ATOM 731 O GLU A 47 -9.628 14.670 -18.160 1.00 0.00 O ATOM 732 CB GLU A 47 -10.317 11.475 -18.722 1.00 0.00 C ATOM 733 CG GLU A 47 -11.243 10.315 -18.335 1.00 0.00 C ATOM 734 CD GLU A 47 -10.466 9.013 -18.163 1.00 0.00 C ATOM 735 OE1 GLU A 47 -9.893 8.837 -17.066 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.451 8.221 -19.130 1.00 0.00 O ATOM 0 H GLU A 47 -12.216 12.007 -20.225 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.414 12.978 -17.687 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.911 11.298 -19.718 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.472 11.509 -18.035 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.761 10.556 -17.407 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.006 10.186 -19.102 1.00 0.00 H new ATOM 743 N ILE A 48 -9.829 14.175 -20.345 1.00 0.00 N ATOM 744 CA ILE A 48 -9.022 15.291 -20.828 1.00 0.00 C ATOM 745 C ILE A 48 -9.593 16.610 -20.301 1.00 0.00 C ATOM 746 O ILE A 48 -8.870 17.390 -19.688 1.00 0.00 O ATOM 747 CB ILE A 48 -8.944 15.250 -22.367 1.00 0.00 C ATOM 748 CG1 ILE A 48 -8.143 14.034 -22.862 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.388 16.550 -22.964 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.625 14.224 -22.770 1.00 0.00 C ATOM 0 H ILE A 48 -10.170 13.565 -21.088 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.002 15.209 -20.452 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.970 15.148 -22.721 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.428 13.159 -22.278 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.413 13.828 -23.898 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.355 16.466 -24.050 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.032 17.384 -22.684 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.382 16.724 -22.583 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.123 13.328 -23.136 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.328 15.079 -23.377 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.343 14.400 -21.732 1.00 0.00 H new ATOM 762 N LYS A 49 -10.887 16.857 -20.525 1.00 0.00 N ATOM 763 CA LYS A 49 -11.559 18.063 -20.065 1.00 0.00 C ATOM 764 C LYS A 49 -11.413 18.223 -18.550 1.00 0.00 C ATOM 765 O LYS A 49 -10.995 19.284 -18.083 1.00 0.00 O ATOM 766 CB LYS A 49 -13.036 18.033 -20.480 1.00 0.00 C ATOM 767 CG LYS A 49 -13.192 18.238 -21.993 1.00 0.00 C ATOM 768 CD LYS A 49 -14.618 17.925 -22.473 1.00 0.00 C ATOM 769 CE LYS A 49 -15.705 18.741 -21.761 1.00 0.00 C ATOM 770 NZ LYS A 49 -15.479 20.192 -21.881 1.00 0.00 N ATOM 0 H LYS A 49 -11.497 16.218 -21.035 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.088 18.927 -20.534 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.478 17.079 -20.192 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.582 18.811 -19.947 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.942 19.268 -22.247 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.484 17.599 -22.520 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.680 18.113 -23.545 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.817 16.864 -22.323 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.679 18.491 -22.181 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.732 18.465 -20.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.272 20.704 -21.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.594 20.447 -21.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.411 20.451 -22.886 1.00 0.00 H new ATOM 784 N LYS A 50 -11.755 17.182 -17.785 1.00 0.00 N ATOM 785 CA LYS A 50 -11.624 17.212 -16.332 1.00 0.00 C ATOM 786 C LYS A 50 -10.196 17.589 -15.929 1.00 0.00 C ATOM 787 O LYS A 50 -9.989 18.586 -15.238 1.00 0.00 O ATOM 788 CB LYS A 50 -12.036 15.860 -15.733 1.00 0.00 C ATOM 789 CG LYS A 50 -13.555 15.655 -15.814 1.00 0.00 C ATOM 790 CD LYS A 50 -13.954 14.198 -15.539 1.00 0.00 C ATOM 791 CE LYS A 50 -13.520 13.727 -14.146 1.00 0.00 C ATOM 792 NZ LYS A 50 -14.009 12.367 -13.866 1.00 0.00 N ATOM 0 H LYS A 50 -12.126 16.306 -18.153 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.293 17.975 -15.933 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.529 15.055 -16.264 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.715 15.807 -14.693 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.048 16.308 -15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.908 15.947 -16.803 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -15.035 14.096 -15.634 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.505 13.552 -16.294 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -12.432 13.747 -14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.901 14.415 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.700 12.075 -12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.048 12.356 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.625 11.708 -14.573 1.00 0.00 H new ATOM 806 N MET A 51 -9.211 16.807 -16.379 1.00 0.00 N ATOM 807 CA MET A 51 -7.809 17.002 -16.065 1.00 0.00 C ATOM 808 C MET A 51 -7.376 18.430 -16.406 1.00 0.00 C ATOM 809 O MET A 51 -6.878 19.147 -15.538 1.00 0.00 O ATOM 810 CB MET A 51 -7.005 15.922 -16.801 1.00 0.00 C ATOM 811 CG MET A 51 -5.540 15.877 -16.368 1.00 0.00 C ATOM 812 SD MET A 51 -4.437 17.142 -17.048 1.00 0.00 S ATOM 813 CE MET A 51 -4.381 16.647 -18.783 1.00 0.00 C ATOM 0 H MET A 51 -9.379 16.004 -16.985 1.00 0.00 H new ATOM 0 HA MET A 51 -7.623 16.892 -14.997 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.462 14.949 -16.621 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.057 16.105 -17.874 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.507 15.949 -15.281 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.139 14.900 -16.635 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.344 16.609 -19.117 1.00 0.00 H new ATOM 0 HE2 MET A 51 -4.835 15.662 -18.895 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.930 17.370 -19.386 1.00 0.00 H new ATOM 823 N ILE A 52 -7.606 18.864 -17.650 1.00 0.00 N ATOM 824 CA ILE A 52 -7.305 20.223 -18.079 1.00 0.00 C ATOM 825 C ILE A 52 -7.921 21.221 -17.100 1.00 0.00 C ATOM 826 O ILE A 52 -7.216 22.097 -16.613 1.00 0.00 O ATOM 827 CB ILE A 52 -7.758 20.453 -19.537 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.762 19.744 -20.474 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.850 21.949 -19.887 1.00 0.00 C ATOM 830 CD1 ILE A 52 -7.163 19.802 -21.951 1.00 0.00 C ATOM 0 H ILE A 52 -8.006 18.279 -18.383 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.226 20.379 -18.068 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.759 20.040 -19.661 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.778 20.198 -20.355 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.671 18.701 -20.171 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.172 22.061 -20.922 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.571 22.433 -19.228 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.872 22.413 -19.759 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.416 19.283 -22.551 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -8.133 19.322 -22.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.226 20.842 -22.270 1.00 0.00 H new ATOM 842 N SER A 53 -9.210 21.089 -16.784 1.00 0.00 N ATOM 843 CA SER A 53 -9.870 22.005 -15.863 1.00 0.00 C ATOM 844 C SER A 53 -9.188 22.019 -14.492 1.00 0.00 C ATOM 845 O SER A 53 -8.923 23.086 -13.947 1.00 0.00 O ATOM 846 CB SER A 53 -11.357 21.660 -15.747 1.00 0.00 C ATOM 847 OG SER A 53 -11.957 21.653 -17.028 1.00 0.00 O ATOM 0 H SER A 53 -9.815 20.356 -17.154 1.00 0.00 H new ATOM 0 HA SER A 53 -9.783 23.013 -16.268 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.476 20.684 -15.276 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.858 22.386 -15.107 1.00 0.00 H new ATOM 0 HG SER A 53 -11.711 20.830 -17.500 1.00 0.00 H new ATOM 853 N GLU A 54 -8.894 20.841 -13.935 1.00 0.00 N ATOM 854 CA GLU A 54 -8.215 20.721 -12.651 1.00 0.00 C ATOM 855 C GLU A 54 -6.860 21.438 -12.677 1.00 0.00 C ATOM 856 O GLU A 54 -6.524 22.155 -11.737 1.00 0.00 O ATOM 857 CB GLU A 54 -8.053 19.241 -12.281 1.00 0.00 C ATOM 858 CG GLU A 54 -9.405 18.589 -11.957 1.00 0.00 C ATOM 859 CD GLU A 54 -9.266 17.077 -11.813 1.00 0.00 C ATOM 860 OE1 GLU A 54 -8.767 16.655 -10.747 1.00 0.00 O ATOM 861 OE2 GLU A 54 -9.651 16.373 -12.771 1.00 0.00 O ATOM 0 H GLU A 54 -9.122 19.945 -14.366 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.824 21.204 -11.887 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.580 18.709 -13.106 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.389 19.151 -11.421 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.803 19.010 -11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.121 18.818 -12.746 1.00 0.00 H new ATOM 868 N ILE A 55 -6.076 21.240 -13.740 1.00 0.00 N ATOM 869 CA ILE A 55 -4.769 21.875 -13.875 1.00 0.00 C ATOM 870 C ILE A 55 -4.924 23.380 -14.142 1.00 0.00 C ATOM 871 O ILE A 55 -4.105 24.185 -13.694 1.00 0.00 O ATOM 872 CB ILE A 55 -3.970 21.168 -14.989 1.00 0.00 C ATOM 873 CG1 ILE A 55 -3.696 19.682 -14.693 1.00 0.00 C ATOM 874 CG2 ILE A 55 -2.643 21.880 -15.285 1.00 0.00 C ATOM 875 CD1 ILE A 55 -2.910 19.399 -13.411 1.00 0.00 C ATOM 0 H ILE A 55 -6.330 20.639 -14.524 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.214 21.775 -12.942 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.610 21.220 -15.870 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.651 19.159 -14.636 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.149 19.257 -15.535 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.113 21.348 -16.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.842 22.902 -15.606 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.030 21.896 -14.384 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.773 18.324 -13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.936 19.885 -13.466 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.461 19.786 -12.554 1.00 0.00 H new ATOM 887 N ASP A 56 -5.962 23.774 -14.882 1.00 0.00 N ATOM 888 CA ASP A 56 -6.175 25.146 -15.309 1.00 0.00 C ATOM 889 C ASP A 56 -6.761 25.973 -14.163 1.00 0.00 C ATOM 890 O ASP A 56 -7.945 26.306 -14.161 1.00 0.00 O ATOM 891 CB ASP A 56 -7.070 25.170 -16.556 1.00 0.00 C ATOM 892 CG ASP A 56 -7.276 26.580 -17.095 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.692 27.518 -16.509 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.009 26.706 -18.101 1.00 0.00 O ATOM 0 H ASP A 56 -6.687 23.133 -15.204 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.220 25.598 -15.578 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.624 24.549 -17.332 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.038 24.731 -16.314 1.00 0.00 H new ATOM 899 N LYS A 57 -5.909 26.343 -13.209 1.00 0.00 N ATOM 900 CA LYS A 57 -6.262 27.268 -12.143 1.00 0.00 C ATOM 901 C LYS A 57 -6.323 28.704 -12.682 1.00 0.00 C ATOM 902 O LYS A 57 -7.299 29.414 -12.454 1.00 0.00 O ATOM 903 CB LYS A 57 -5.251 27.150 -10.993 1.00 0.00 C ATOM 904 CG LYS A 57 -5.026 25.709 -10.504 1.00 0.00 C ATOM 905 CD LYS A 57 -6.308 24.935 -10.166 1.00 0.00 C ATOM 906 CE LYS A 57 -7.131 25.604 -9.060 1.00 0.00 C ATOM 907 NZ LYS A 57 -8.313 24.794 -8.719 1.00 0.00 N ATOM 0 H LYS A 57 -4.948 26.005 -13.157 1.00 0.00 H new ATOM 0 HA LYS A 57 -7.250 27.012 -11.759 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.297 27.566 -11.317 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.596 27.757 -10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.480 25.161 -11.272 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.391 25.736 -9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.920 24.845 -11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.045 23.924 -9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.512 25.742 -8.174 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.446 26.595 -9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.854 25.268 -7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.913 24.684 -9.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.008 23.857 -8.387 1.00 0.00 H new ATOM 921 N ASP A 58 -5.256 29.130 -13.366 1.00 0.00 N ATOM 922 CA ASP A 58 -5.042 30.492 -13.857 1.00 0.00 C ATOM 923 C ASP A 58 -4.969 30.547 -15.386 1.00 0.00 C ATOM 924 O ASP A 58 -5.243 31.586 -15.983 1.00 0.00 O ATOM 925 CB ASP A 58 -3.754 31.067 -13.246 1.00 0.00 C ATOM 926 CG ASP A 58 -2.500 30.302 -13.668 1.00 0.00 C ATOM 927 OD1 ASP A 58 -1.987 30.591 -14.771 1.00 0.00 O ATOM 928 OD2 ASP A 58 -2.076 29.428 -12.881 1.00 0.00 O ATOM 0 H ASP A 58 -4.485 28.506 -13.602 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.897 31.094 -13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.653 32.111 -13.542 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.835 31.050 -12.159 1.00 0.00 H new ATOM 933 N GLY A 59 -4.575 29.441 -16.022 1.00 0.00 N ATOM 934 CA GLY A 59 -4.250 29.386 -17.441 1.00 0.00 C ATOM 935 C GLY A 59 -5.388 29.803 -18.386 1.00 0.00 C ATOM 936 O GLY A 59 -5.138 30.155 -19.538 1.00 0.00 O ATOM 0 H GLY A 59 -4.472 28.542 -15.551 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.390 30.030 -17.626 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.946 28.369 -17.689 1.00 0.00 H new ATOM 940 N SER A 60 -6.638 29.771 -17.916 1.00 0.00 N ATOM 941 CA SER A 60 -7.803 30.312 -18.602 1.00 0.00 C ATOM 942 C SER A 60 -7.894 29.823 -20.050 1.00 0.00 C ATOM 943 O SER A 60 -7.890 30.627 -20.979 1.00 0.00 O ATOM 944 CB SER A 60 -7.771 31.843 -18.523 1.00 0.00 C ATOM 945 OG SER A 60 -7.674 32.259 -17.173 1.00 0.00 O ATOM 0 H SER A 60 -6.869 29.352 -17.015 1.00 0.00 H new ATOM 0 HA SER A 60 -8.701 29.949 -18.103 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.924 32.227 -19.092 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.672 32.257 -18.975 1.00 0.00 H new ATOM 0 HG SER A 60 -6.785 32.037 -16.825 1.00 0.00 H new ATOM 951 N GLY A 61 -7.963 28.504 -20.244 1.00 0.00 N ATOM 952 CA GLY A 61 -8.033 27.891 -21.564 1.00 0.00 C ATOM 953 C GLY A 61 -6.660 27.426 -22.052 1.00 0.00 C ATOM 954 O GLY A 61 -6.580 26.471 -22.825 1.00 0.00 O ATOM 0 H GLY A 61 -7.972 27.829 -19.479 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.714 27.041 -21.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.448 28.606 -22.275 1.00 0.00 H new ATOM 958 N THR A 62 -5.584 28.079 -21.598 1.00 0.00 N ATOM 959 CA THR A 62 -4.225 27.604 -21.818 1.00 0.00 C ATOM 960 C THR A 62 -3.717 26.959 -20.525 1.00 0.00 C ATOM 961 O THR A 62 -4.411 26.988 -19.509 1.00 0.00 O ATOM 962 CB THR A 62 -3.330 28.754 -22.316 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.160 29.762 -21.336 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.915 29.412 -23.571 1.00 0.00 C ATOM 0 H THR A 62 -5.637 28.950 -21.069 1.00 0.00 H new ATOM 0 HA THR A 62 -4.201 26.845 -22.600 1.00 0.00 H new ATOM 0 HB THR A 62 -2.364 28.302 -22.542 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.001 29.892 -20.851 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.260 30.220 -23.897 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.000 28.670 -24.365 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.902 29.815 -23.344 1.00 0.00 H new ATOM 972 N ILE A 63 -2.517 26.374 -20.562 1.00 0.00 N ATOM 973 CA ILE A 63 -1.807 25.849 -19.406 1.00 0.00 C ATOM 974 C ILE A 63 -0.525 26.670 -19.247 1.00 0.00 C ATOM 975 O ILE A 63 0.298 26.722 -20.165 1.00 0.00 O ATOM 976 CB ILE A 63 -1.497 24.353 -19.595 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.728 23.513 -19.980 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.827 23.774 -18.342 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.834 23.489 -18.922 1.00 0.00 C ATOM 0 H ILE A 63 -1.999 26.251 -21.432 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.416 25.931 -18.506 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.807 24.294 -20.437 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.141 23.902 -20.911 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.407 22.490 -20.176 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.617 22.716 -18.498 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.106 24.305 -18.150 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.493 23.890 -17.487 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.662 22.875 -19.275 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.442 23.071 -17.995 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.187 24.504 -18.741 1.00 0.00 H new ATOM 991 N ASP A 64 -0.367 27.326 -18.096 1.00 0.00 N ATOM 992 CA ASP A 64 0.824 28.079 -17.734 1.00 0.00 C ATOM 993 C ASP A 64 1.978 27.131 -17.401 1.00 0.00 C ATOM 994 O ASP A 64 1.755 25.975 -17.040 1.00 0.00 O ATOM 995 CB ASP A 64 0.500 28.994 -16.543 1.00 0.00 C ATOM 996 CG ASP A 64 1.742 29.710 -16.026 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.164 30.669 -16.704 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.293 29.237 -15.007 1.00 0.00 O ATOM 0 H ASP A 64 -1.087 27.346 -17.374 1.00 0.00 H new ATOM 0 HA ASP A 64 1.136 28.694 -18.578 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.246 29.730 -16.842 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.060 28.403 -15.740 1.00 0.00 H new ATOM 1003 N PHE A 65 3.213 27.635 -17.487 1.00 0.00 N ATOM 1004 CA PHE A 65 4.405 26.880 -17.133 1.00 0.00 C ATOM 1005 C PHE A 65 4.265 26.207 -15.769 1.00 0.00 C ATOM 1006 O PHE A 65 4.454 25.001 -15.674 1.00 0.00 O ATOM 1007 CB PHE A 65 5.653 27.767 -17.194 1.00 0.00 C ATOM 1008 CG PHE A 65 6.916 27.074 -16.715 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.292 25.835 -17.267 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.649 27.605 -15.637 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.395 25.135 -16.746 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.761 26.912 -15.128 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.139 25.680 -15.687 1.00 0.00 C ATOM 0 H PHE A 65 3.408 28.584 -17.807 1.00 0.00 H new ATOM 0 HA PHE A 65 4.522 26.086 -17.870 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.800 28.103 -18.221 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.485 28.658 -16.588 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.732 25.421 -18.093 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.356 28.548 -15.200 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.670 24.177 -17.161 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.325 27.327 -14.306 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.000 25.153 -15.303 1.00 0.00 H new ATOM 1023 N GLU A 66 3.917 26.948 -14.714 1.00 0.00 N ATOM 1024 CA GLU A 66 3.842 26.367 -13.378 1.00 0.00 C ATOM 1025 C GLU A 66 2.755 25.290 -13.301 1.00 0.00 C ATOM 1026 O GLU A 66 2.943 24.255 -12.663 1.00 0.00 O ATOM 1027 CB GLU A 66 3.625 27.465 -12.328 1.00 0.00 C ATOM 1028 CG GLU A 66 4.782 28.478 -12.292 1.00 0.00 C ATOM 1029 CD GLU A 66 6.133 27.851 -11.945 1.00 0.00 C ATOM 1030 OE1 GLU A 66 6.139 26.931 -11.099 1.00 0.00 O ATOM 1031 OE2 GLU A 66 7.137 28.308 -12.532 1.00 0.00 O ATOM 0 H GLU A 66 3.686 27.940 -14.761 1.00 0.00 H new ATOM 0 HA GLU A 66 4.792 25.879 -13.162 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.693 27.989 -12.541 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.515 27.007 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.856 28.967 -13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.552 29.254 -11.561 1.00 0.00 H new ATOM 1038 N GLU A 67 1.619 25.514 -13.963 1.00 0.00 N ATOM 1039 CA GLU A 67 0.550 24.527 -14.031 1.00 0.00 C ATOM 1040 C GLU A 67 1.067 23.247 -14.700 1.00 0.00 C ATOM 1041 O GLU A 67 0.897 22.150 -14.171 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.652 25.108 -14.784 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.302 26.294 -14.056 1.00 0.00 C ATOM 1044 CD GLU A 67 -2.455 26.880 -14.867 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -2.288 26.991 -16.099 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -3.485 27.228 -14.254 1.00 0.00 O ATOM 0 H GLU A 67 1.418 26.380 -14.463 1.00 0.00 H new ATOM 0 HA GLU A 67 0.222 24.273 -13.023 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.332 25.429 -15.775 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.397 24.325 -14.927 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.668 25.969 -13.082 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.554 27.066 -13.874 1.00 0.00 H new ATOM 1053 N PHE A 68 1.728 23.390 -15.850 1.00 0.00 N ATOM 1054 CA PHE A 68 2.355 22.283 -16.563 1.00 0.00 C ATOM 1055 C PHE A 68 3.373 21.561 -15.671 1.00 0.00 C ATOM 1056 O PHE A 68 3.391 20.332 -15.604 1.00 0.00 O ATOM 1057 CB PHE A 68 3.008 22.818 -17.839 1.00 0.00 C ATOM 1058 CG PHE A 68 3.699 21.763 -18.674 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.962 21.003 -19.600 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.096 21.615 -18.600 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.625 20.140 -20.488 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.759 20.754 -19.490 1.00 0.00 C ATOM 1063 CZ PHE A 68 5.027 20.035 -20.447 1.00 0.00 C ATOM 0 H PHE A 68 1.843 24.290 -16.316 1.00 0.00 H new ATOM 0 HA PHE A 68 1.596 21.550 -16.835 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.245 23.304 -18.447 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.735 23.584 -17.568 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.885 21.083 -19.628 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.659 22.163 -17.859 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.059 19.558 -21.201 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.832 20.645 -19.438 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.541 19.400 -21.153 1.00 0.00 H new ATOM 1073 N LEU A 69 4.215 22.326 -14.975 1.00 0.00 N ATOM 1074 CA LEU A 69 5.196 21.827 -14.023 1.00 0.00 C ATOM 1075 C LEU A 69 4.482 20.960 -12.984 1.00 0.00 C ATOM 1076 O LEU A 69 4.876 19.822 -12.736 1.00 0.00 O ATOM 1077 CB LEU A 69 5.931 23.021 -13.381 1.00 0.00 C ATOM 1078 CG LEU A 69 7.386 22.764 -12.967 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.932 24.039 -12.311 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.541 21.582 -12.006 1.00 0.00 C ATOM 0 H LEU A 69 4.230 23.342 -15.065 1.00 0.00 H new ATOM 0 HA LEU A 69 5.943 21.208 -14.519 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.915 23.854 -14.084 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.372 23.336 -12.500 1.00 0.00 H new ATOM 0 HG LEU A 69 7.947 22.505 -13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.967 23.878 -12.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.886 24.863 -13.023 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.332 24.283 -11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.594 21.454 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.970 21.774 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.170 20.675 -12.482 1.00 0.00 H new ATOM 1092 N THR A 70 3.405 21.484 -12.397 1.00 0.00 N ATOM 1093 CA THR A 70 2.602 20.762 -11.422 1.00 0.00 C ATOM 1094 C THR A 70 2.059 19.466 -12.032 1.00 0.00 C ATOM 1095 O THR A 70 2.187 18.401 -11.430 1.00 0.00 O ATOM 1096 CB THR A 70 1.483 21.665 -10.879 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.030 22.885 -10.419 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.762 21.005 -9.701 1.00 0.00 C ATOM 0 H THR A 70 3.067 22.427 -12.589 1.00 0.00 H new ATOM 0 HA THR A 70 3.230 20.481 -10.576 1.00 0.00 H new ATOM 0 HB THR A 70 0.777 21.836 -11.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.264 23.448 -11.186 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.024 21.667 -9.338 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.321 20.063 -10.026 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.475 20.814 -8.899 1.00 0.00 H new ATOM 1106 N MET A 71 1.470 19.545 -13.230 1.00 0.00 N ATOM 1107 CA MET A 71 0.932 18.394 -13.945 1.00 0.00 C ATOM 1108 C MET A 71 2.009 17.313 -14.094 1.00 0.00 C ATOM 1109 O MET A 71 1.791 16.164 -13.716 1.00 0.00 O ATOM 1110 CB MET A 71 0.344 18.862 -15.287 1.00 0.00 C ATOM 1111 CG MET A 71 -0.466 17.785 -16.022 1.00 0.00 C ATOM 1112 SD MET A 71 0.456 16.468 -16.860 1.00 0.00 S ATOM 1113 CE MET A 71 1.347 17.407 -18.121 1.00 0.00 C ATOM 0 H MET A 71 1.354 20.425 -13.733 1.00 0.00 H new ATOM 0 HA MET A 71 0.120 17.936 -13.380 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.296 19.726 -15.110 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.157 19.194 -15.932 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.137 17.319 -15.301 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.091 18.282 -16.764 1.00 0.00 H new ATOM 0 HE1 MET A 71 1.771 16.721 -18.854 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.660 18.091 -18.619 1.00 0.00 H new ATOM 0 HE3 MET A 71 2.149 17.977 -17.652 1.00 0.00 H new ATOM 1123 N MET A 72 3.189 17.687 -14.598 1.00 0.00 N ATOM 1124 CA MET A 72 4.321 16.775 -14.689 1.00 0.00 C ATOM 1125 C MET A 72 4.649 16.183 -13.318 1.00 0.00 C ATOM 1126 O MET A 72 4.707 14.964 -13.170 1.00 0.00 O ATOM 1127 CB MET A 72 5.535 17.486 -15.304 1.00 0.00 C ATOM 1128 CG MET A 72 5.370 17.689 -16.815 1.00 0.00 C ATOM 1129 SD MET A 72 5.376 16.157 -17.785 1.00 0.00 S ATOM 1130 CE MET A 72 5.257 16.832 -19.453 1.00 0.00 C ATOM 0 H MET A 72 3.380 18.625 -14.951 1.00 0.00 H new ATOM 0 HA MET A 72 4.053 15.948 -15.347 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.674 18.453 -14.820 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.435 16.901 -15.112 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.434 18.216 -16.998 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.173 18.333 -17.172 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.267 16.017 -20.177 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.329 17.395 -19.552 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.104 17.493 -19.639 1.00 0.00 H new ATOM 1140 N THR A 73 4.849 17.037 -12.313 1.00 0.00 N ATOM 1141 CA THR A 73 5.183 16.612 -10.956 1.00 0.00 C ATOM 1142 C THR A 73 4.186 15.561 -10.457 1.00 0.00 C ATOM 1143 O THR A 73 4.586 14.535 -9.914 1.00 0.00 O ATOM 1144 CB THR A 73 5.262 17.826 -10.017 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.163 18.780 -10.542 1.00 0.00 O ATOM 1146 CG2 THR A 73 5.770 17.428 -8.629 1.00 0.00 C ATOM 0 H THR A 73 4.783 18.049 -12.420 1.00 0.00 H new ATOM 0 HA THR A 73 6.167 16.143 -10.965 1.00 0.00 H new ATOM 0 HB THR A 73 4.256 18.237 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.723 19.287 -11.256 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.814 18.310 -7.991 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.093 16.696 -8.190 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.766 16.994 -8.717 1.00 0.00 H new ATOM 1154 N ALA A 74 2.889 15.790 -10.677 1.00 0.00 N ATOM 1155 CA ALA A 74 1.838 14.869 -10.267 1.00 0.00 C ATOM 1156 C ALA A 74 2.022 13.463 -10.852 1.00 0.00 C ATOM 1157 O ALA A 74 1.569 12.497 -10.244 1.00 0.00 O ATOM 1158 CB ALA A 74 0.468 15.443 -10.635 1.00 0.00 C ATOM 0 H ALA A 74 2.542 16.626 -11.148 1.00 0.00 H new ATOM 0 HA ALA A 74 1.902 14.760 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.313 14.748 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.326 16.398 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.414 15.592 -11.713 1.00 0.00 H new ATOM 1164 N LYS A 75 2.668 13.327 -12.015 1.00 0.00 N ATOM 1165 CA LYS A 75 2.920 12.019 -12.610 1.00 0.00 C ATOM 1166 C LYS A 75 4.119 11.308 -11.967 1.00 0.00 C ATOM 1167 O LYS A 75 4.297 10.112 -12.190 1.00 0.00 O ATOM 1168 CB LYS A 75 3.107 12.150 -14.129 1.00 0.00 C ATOM 1169 CG LYS A 75 1.842 12.703 -14.803 1.00 0.00 C ATOM 1170 CD LYS A 75 1.906 12.611 -16.335 1.00 0.00 C ATOM 1171 CE LYS A 75 2.967 13.549 -16.921 1.00 0.00 C ATOM 1172 NZ LYS A 75 2.970 13.516 -18.393 1.00 0.00 N ATOM 0 H LYS A 75 3.025 14.111 -12.561 1.00 0.00 H new ATOM 0 HA LYS A 75 2.046 11.398 -12.416 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.950 12.808 -14.338 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.351 11.176 -14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.972 12.152 -14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.703 13.744 -14.510 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.127 11.585 -16.628 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.931 12.859 -16.754 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.780 14.567 -16.580 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.951 13.263 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.615 14.247 -18.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.288 12.581 -18.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.009 13.697 -18.746 1.00 0.00 H new ATOM 1186 N MET A 76 4.960 12.010 -11.199 1.00 0.00 N ATOM 1187 CA MET A 76 6.142 11.410 -10.591 1.00 0.00 C ATOM 1188 C MET A 76 5.755 10.564 -9.374 1.00 0.00 C ATOM 1189 O MET A 76 6.405 9.513 -9.184 1.00 0.00 O ATOM 1190 CB MET A 76 7.159 12.498 -10.218 1.00 0.00 C ATOM 1191 CG MET A 76 7.550 13.339 -11.439 1.00 0.00 C ATOM 1192 SD MET A 76 8.788 14.615 -11.111 1.00 0.00 S ATOM 1193 CE MET A 76 8.860 15.388 -12.742 1.00 0.00 C ATOM 1194 OXT MET A 76 4.834 10.990 -8.643 1.00 0.00 O ATOM 0 H MET A 76 4.838 13.000 -10.986 1.00 0.00 H new ATOM 0 HA MET A 76 6.611 10.746 -11.317 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.737 13.145 -9.449 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.050 12.036 -9.792 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.930 12.674 -12.215 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.654 13.815 -11.838 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.581 16.205 -12.726 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.166 14.649 -13.482 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.876 15.777 -13.004 1.00 0.00 H new TER 1204 MET A 76