USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ARG N :NH3+ -148:sc= -0.0844 (180deg=-0.797) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.4!) USER MOD Single : A 11 GLN : amide:sc= 0.00274 X(o=0.0027,f=-0.4) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 66:sc= 0.792 USER MOD Single : A 35 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.84) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 40:sc= 1.06 USER MOD Single : A 39 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.0089) USER MOD Single : A 40 SER OG : rot -38:sc= -3.32 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 46 ASN : amide:sc= -7.21! C(o=-7.2!,f=-17!) USER MOD Single : A 47 CYS SG : rot 108:sc= -0.993! USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -138:sc= -3.38 (180deg=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 4.287 -12.251 6.611 1.00 0.00 N ATOM 2 CA ARG A 1 3.070 -11.721 6.021 1.00 0.00 C ATOM 3 C ARG A 1 1.952 -11.671 7.065 1.00 0.00 C ATOM 4 O ARG A 1 1.062 -12.522 7.067 1.00 0.00 O ATOM 5 CB ARG A 1 2.614 -12.575 4.837 1.00 0.00 C ATOM 6 CG ARG A 1 3.634 -12.521 3.697 1.00 0.00 C ATOM 7 CD ARG A 1 3.658 -13.839 2.920 1.00 0.00 C ATOM 8 NE ARG A 1 3.685 -13.568 1.465 1.00 0.00 N ATOM 9 CZ ARG A 1 4.720 -13.005 0.826 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.817 -12.650 1.509 1.00 0.00 N ATOM 11 NH2 ARG A 1 4.657 -12.796 -0.496 1.00 0.00 N ATOM 0 H1 ARG A 1 5.113 -11.813 6.155 1.00 0.00 H new ATOM 0 H2 ARG A 1 4.300 -12.038 7.629 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.320 -13.281 6.472 1.00 0.00 H new ATOM 0 HA ARG A 1 3.286 -10.713 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 1 2.478 -13.607 5.160 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.646 -12.222 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.387 -11.701 3.022 1.00 0.00 H new ATOM 0 HG3 ARG A 1 4.625 -12.314 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 1 4.533 -14.423 3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.781 -14.435 3.171 1.00 0.00 H new ATOM 0 HE ARG A 1 2.866 -13.826 0.915 1.00 0.00 H new ATOM 0 HH11 ARG A 1 5.865 -12.808 2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.604 -12.222 1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 1 3.822 -13.065 -1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.444 -12.368 -0.983 1.00 0.00 H new ATOM 22 N ILE A 2 2.035 -10.669 7.927 1.00 0.00 N ATOM 23 CA ILE A 2 1.041 -10.498 8.974 1.00 0.00 C ATOM 24 C ILE A 2 0.747 -11.854 9.618 1.00 0.00 C ATOM 25 O ILE A 2 -0.378 -12.346 9.552 1.00 0.00 O ATOM 26 CB ILE A 2 -0.202 -9.796 8.424 1.00 0.00 C ATOM 27 CG1 ILE A 2 0.179 -8.525 7.662 1.00 0.00 C ATOM 28 CG2 ILE A 2 -1.211 -9.515 9.539 1.00 0.00 C ATOM 29 CD1 ILE A 2 -0.368 -8.557 6.234 1.00 0.00 C ATOM 0 H ILE A 2 2.775 -9.967 7.922 1.00 0.00 H new ATOM 0 HA ILE A 2 1.424 -9.847 9.760 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.686 -10.465 7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.212 -7.652 8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.264 -8.423 7.637 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.085 -9.016 9.121 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.516 -10.455 9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -0.752 -8.874 10.292 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.083 -7.642 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.043 -9.417 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.455 -8.635 6.262 1.00 0.00 H new ATOM 40 N TYR A 3 1.779 -12.422 10.226 1.00 0.00 N ATOM 41 CA TYR A 3 1.644 -13.713 10.881 1.00 0.00 C ATOM 42 C TYR A 3 2.711 -13.891 11.963 1.00 0.00 C ATOM 43 O TYR A 3 2.415 -14.366 13.059 1.00 0.00 O ATOM 44 CB TYR A 3 1.861 -14.763 9.790 1.00 0.00 C ATOM 45 CG TYR A 3 1.089 -16.065 10.018 1.00 0.00 C ATOM 46 CD1 TYR A 3 -0.291 -16.053 10.042 1.00 0.00 C ATOM 47 CD2 TYR A 3 1.773 -17.249 10.199 1.00 0.00 C ATOM 48 CE1 TYR A 3 -1.017 -17.277 10.256 1.00 0.00 C ATOM 49 CE2 TYR A 3 1.045 -18.474 10.414 1.00 0.00 C ATOM 50 CZ TYR A 3 -0.313 -18.427 10.432 1.00 0.00 C ATOM 51 OH TYR A 3 -1.000 -19.584 10.635 1.00 0.00 O ATOM 0 H TYR A 3 2.712 -12.012 10.279 1.00 0.00 H new ATOM 0 HA TYR A 3 0.668 -13.802 11.359 1.00 0.00 H new ATOM 0 HB2 TYR A 3 1.566 -14.341 8.830 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.925 -14.990 9.725 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -0.826 -15.125 9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 3 2.853 -17.258 10.180 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.097 -17.282 10.276 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.567 -19.408 10.558 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.368 -20.325 10.744 1.00 0.00 H new ATOM 60 N LYS A 4 3.930 -13.501 11.619 1.00 0.00 N ATOM 61 CA LYS A 4 5.041 -13.613 12.547 1.00 0.00 C ATOM 62 C LYS A 4 4.987 -12.452 13.543 1.00 0.00 C ATOM 63 O LYS A 4 5.876 -11.603 13.563 1.00 0.00 O ATOM 64 CB LYS A 4 6.367 -13.708 11.788 1.00 0.00 C ATOM 65 CG LYS A 4 6.492 -15.055 11.072 1.00 0.00 C ATOM 66 CD LYS A 4 7.717 -15.077 10.156 1.00 0.00 C ATOM 67 CE LYS A 4 7.509 -16.041 8.987 1.00 0.00 C ATOM 68 NZ LYS A 4 8.775 -16.234 8.243 1.00 0.00 N ATOM 0 H LYS A 4 4.172 -13.107 10.710 1.00 0.00 H new ATOM 0 HA LYS A 4 4.963 -14.535 13.124 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.433 -12.898 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.198 -13.582 12.482 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.569 -15.856 11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.592 -15.245 10.487 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.909 -14.074 9.775 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.597 -15.375 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.149 -17.000 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.743 -15.650 8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.616 -16.891 7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.103 -15.319 7.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.496 -16.627 8.881 1.00 0.00 H new ATOM 78 N GLY A 5 3.933 -12.453 14.346 1.00 0.00 N ATOM 79 CA GLY A 5 3.749 -11.411 15.343 1.00 0.00 C ATOM 80 C GLY A 5 4.446 -11.778 16.654 1.00 0.00 C ATOM 81 O GLY A 5 4.543 -10.953 17.561 1.00 0.00 O ATOM 0 H GLY A 5 3.197 -13.159 14.327 1.00 0.00 H new ATOM 0 HA2 GLY A 5 4.147 -10.468 14.967 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.685 -11.259 15.523 1.00 0.00 H new ATOM 85 N VAL A 6 4.912 -13.017 16.713 1.00 0.00 N ATOM 86 CA VAL A 6 5.597 -13.503 17.899 1.00 0.00 C ATOM 87 C VAL A 6 7.095 -13.220 17.769 1.00 0.00 C ATOM 88 O VAL A 6 7.788 -13.055 18.773 1.00 0.00 O ATOM 89 CB VAL A 6 5.285 -14.987 18.110 1.00 0.00 C ATOM 90 CG1 VAL A 6 5.962 -15.848 17.042 1.00 0.00 C ATOM 91 CG2 VAL A 6 5.692 -15.436 19.516 1.00 0.00 C ATOM 0 H VAL A 6 4.829 -13.699 15.959 1.00 0.00 H new ATOM 0 HA VAL A 6 5.243 -12.979 18.787 1.00 0.00 H new ATOM 0 HB VAL A 6 4.208 -15.121 18.013 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.724 -16.897 17.216 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.604 -15.553 16.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.042 -15.708 17.092 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.460 -16.494 19.642 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.762 -15.280 19.652 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.144 -14.854 20.257 1.00 0.00 H new ATOM 101 N ILE A 7 7.551 -13.172 16.526 1.00 0.00 N ATOM 102 CA ILE A 7 8.954 -12.910 16.253 1.00 0.00 C ATOM 103 C ILE A 7 9.234 -11.416 16.425 1.00 0.00 C ATOM 104 O ILE A 7 10.365 -11.020 16.699 1.00 0.00 O ATOM 105 CB ILE A 7 9.342 -13.455 14.877 1.00 0.00 C ATOM 106 CG1 ILE A 7 9.586 -14.965 14.935 1.00 0.00 C ATOM 107 CG2 ILE A 7 10.547 -12.701 14.310 1.00 0.00 C ATOM 108 CD1 ILE A 7 8.331 -15.738 14.528 1.00 0.00 C ATOM 0 H ILE A 7 6.974 -13.310 15.697 1.00 0.00 H new ATOM 0 HA ILE A 7 9.586 -13.436 16.969 1.00 0.00 H new ATOM 0 HB ILE A 7 8.508 -13.289 14.195 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.411 -15.229 14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.882 -15.251 15.944 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.803 -13.107 13.331 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.301 -11.644 14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 7 11.397 -12.814 14.983 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.531 -16.808 14.578 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.515 -15.489 15.206 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.052 -15.468 13.510 1.00 0.00 H new ATOM 119 N GLN A 8 8.183 -10.627 16.256 1.00 0.00 N ATOM 120 CA GLN A 8 8.300 -9.185 16.388 1.00 0.00 C ATOM 121 C GLN A 8 8.594 -8.808 17.842 1.00 0.00 C ATOM 122 O GLN A 8 9.467 -7.983 18.109 1.00 0.00 O ATOM 123 CB GLN A 8 7.038 -8.483 15.884 1.00 0.00 C ATOM 124 CG GLN A 8 7.289 -6.989 15.671 1.00 0.00 C ATOM 125 CD GLN A 8 7.824 -6.718 14.263 1.00 0.00 C ATOM 126 OE1 GLN A 8 7.516 -7.414 13.310 1.00 0.00 O ATOM 127 NE2 GLN A 8 8.638 -5.670 14.186 1.00 0.00 N ATOM 0 H GLN A 8 7.246 -10.960 16.029 1.00 0.00 H new ATOM 0 HA GLN A 8 9.133 -8.850 15.770 1.00 0.00 H new ATOM 0 HB2 GLN A 8 6.714 -8.938 14.948 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.230 -8.621 16.602 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.363 -6.435 15.825 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.003 -6.627 16.411 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.854 -5.130 15.024 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.046 -5.406 13.289 1.00 0.00 H new ATOM 134 N ALA A 9 7.847 -9.429 18.743 1.00 0.00 N ATOM 135 CA ALA A 9 8.016 -9.168 20.162 1.00 0.00 C ATOM 136 C ALA A 9 9.365 -9.726 20.622 1.00 0.00 C ATOM 137 O ALA A 9 10.129 -9.036 21.294 1.00 0.00 O ATOM 138 CB ALA A 9 6.842 -9.772 20.936 1.00 0.00 C ATOM 0 H ALA A 9 7.124 -10.112 18.518 1.00 0.00 H new ATOM 0 HA ALA A 9 8.018 -8.096 20.357 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.969 -9.576 22.001 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.910 -9.322 20.593 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.810 -10.848 20.766 1.00 0.00 H new ATOM 144 N ILE A 10 9.616 -10.970 20.241 1.00 0.00 N ATOM 145 CA ILE A 10 10.859 -11.628 20.605 1.00 0.00 C ATOM 146 C ILE A 10 12.037 -10.725 20.235 1.00 0.00 C ATOM 147 O ILE A 10 13.120 -10.847 20.805 1.00 0.00 O ATOM 148 CB ILE A 10 10.931 -13.022 19.978 1.00 0.00 C ATOM 149 CG1 ILE A 10 9.916 -13.967 20.623 1.00 0.00 C ATOM 150 CG2 ILE A 10 12.355 -13.579 20.041 1.00 0.00 C ATOM 151 CD1 ILE A 10 9.845 -15.295 19.866 1.00 0.00 C ATOM 0 H ILE A 10 8.979 -11.540 19.684 1.00 0.00 H new ATOM 0 HA ILE A 10 10.905 -11.786 21.683 1.00 0.00 H new ATOM 0 HB ILE A 10 10.666 -12.936 18.924 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.193 -14.150 21.661 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.932 -13.497 20.634 1.00 0.00 H new ATOM 0 HG21 ILE A 10 12.378 -14.570 19.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.029 -12.917 19.498 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.673 -13.647 21.081 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.116 -15.948 20.345 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.544 -15.110 18.835 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.824 -15.773 19.878 1.00 0.00 H new ATOM 162 N GLN A 11 11.785 -9.839 19.282 1.00 0.00 N ATOM 163 CA GLN A 11 12.811 -8.916 18.830 1.00 0.00 C ATOM 164 C GLN A 11 12.807 -7.652 19.693 1.00 0.00 C ATOM 165 O GLN A 11 13.864 -7.164 20.091 1.00 0.00 O ATOM 166 CB GLN A 11 12.624 -8.570 17.351 1.00 0.00 C ATOM 167 CG GLN A 11 13.303 -7.243 17.008 1.00 0.00 C ATOM 168 CD GLN A 11 13.181 -6.934 15.514 1.00 0.00 C ATOM 169 OE1 GLN A 11 13.301 -7.800 14.664 1.00 0.00 O ATOM 170 NE2 GLN A 11 12.936 -5.655 15.244 1.00 0.00 N ATOM 0 H GLN A 11 10.885 -9.741 18.811 1.00 0.00 H new ATOM 0 HA GLN A 11 13.781 -9.402 18.937 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.039 -9.366 16.732 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.561 -8.509 17.120 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.850 -6.438 17.587 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.355 -7.285 17.289 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.847 -4.981 16.005 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.837 -5.348 14.276 1.00 0.00 H new ATOM 177 N LYS A 12 11.606 -7.158 19.957 1.00 0.00 N ATOM 178 CA LYS A 12 11.450 -5.961 20.766 1.00 0.00 C ATOM 179 C LYS A 12 12.127 -6.176 22.121 1.00 0.00 C ATOM 180 O LYS A 12 12.687 -5.242 22.694 1.00 0.00 O ATOM 181 CB LYS A 12 9.974 -5.573 20.869 1.00 0.00 C ATOM 182 CG LYS A 12 9.573 -4.631 19.731 1.00 0.00 C ATOM 183 CD LYS A 12 8.381 -5.189 18.953 1.00 0.00 C ATOM 184 CE LYS A 12 7.061 -4.667 19.524 1.00 0.00 C ATOM 185 NZ LYS A 12 5.913 -5.245 18.789 1.00 0.00 N ATOM 0 H LYS A 12 10.732 -7.565 19.625 1.00 0.00 H new ATOM 0 HA LYS A 12 11.945 -5.113 20.293 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.356 -6.470 20.838 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.787 -5.090 21.828 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.321 -3.651 20.137 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.418 -4.489 19.057 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.464 -4.908 17.903 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.393 -6.278 18.993 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.989 -4.922 20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.033 -3.579 19.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.025 -4.880 19.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.975 -4.980 17.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.932 -6.281 18.875 1.00 0.00 H new ATOM 195 N SER A 13 12.052 -7.411 22.595 1.00 0.00 N ATOM 196 CA SER A 13 12.649 -7.759 23.873 1.00 0.00 C ATOM 197 C SER A 13 14.154 -7.976 23.705 1.00 0.00 C ATOM 198 O SER A 13 14.918 -7.823 24.657 1.00 0.00 O ATOM 199 CB SER A 13 11.996 -9.009 24.464 1.00 0.00 C ATOM 200 OG SER A 13 12.450 -9.274 25.788 1.00 0.00 O ATOM 0 H SER A 13 11.587 -8.183 22.117 1.00 0.00 H new ATOM 0 HA SER A 13 12.482 -6.933 24.565 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.913 -8.884 24.471 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.214 -9.867 23.828 1.00 0.00 H new ATOM 0 HG SER A 13 12.008 -10.079 26.130 1.00 0.00 H new ATOM 205 N ASP A 14 14.537 -8.329 22.486 1.00 0.00 N ATOM 206 CA ASP A 14 15.937 -8.569 22.181 1.00 0.00 C ATOM 207 C ASP A 14 16.626 -7.235 21.886 1.00 0.00 C ATOM 208 O ASP A 14 17.833 -7.101 22.075 1.00 0.00 O ATOM 209 CB ASP A 14 16.087 -9.461 20.948 1.00 0.00 C ATOM 210 CG ASP A 14 17.319 -10.368 20.951 1.00 0.00 C ATOM 211 OD1 ASP A 14 17.347 -11.285 21.800 1.00 0.00 O ATOM 212 OD2 ASP A 14 18.206 -10.122 20.106 1.00 0.00 O ATOM 0 H ASP A 14 13.901 -8.454 21.698 1.00 0.00 H new ATOM 0 HA ASP A 14 16.389 -9.063 23.041 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.197 -10.083 20.858 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.123 -8.827 20.062 1.00 0.00 H new ATOM 216 N GLU A 15 15.827 -6.282 21.429 1.00 0.00 N ATOM 217 CA GLU A 15 16.345 -4.962 21.105 1.00 0.00 C ATOM 218 C GLU A 15 16.059 -3.986 22.248 1.00 0.00 C ATOM 219 O GLU A 15 16.759 -2.986 22.405 1.00 0.00 O ATOM 220 CB GLU A 15 15.760 -4.451 19.788 1.00 0.00 C ATOM 221 CG GLU A 15 16.609 -4.906 18.599 1.00 0.00 C ATOM 222 CD GLU A 15 15.727 -5.244 17.394 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.657 -4.609 17.277 1.00 0.00 O ATOM 224 OE2 GLU A 15 16.145 -6.130 16.616 1.00 0.00 O ATOM 0 H GLU A 15 14.825 -6.397 21.275 1.00 0.00 H new ATOM 0 HA GLU A 15 17.425 -5.037 20.978 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.740 -4.817 19.673 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.708 -3.362 19.807 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.314 -4.120 18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.197 -5.779 18.880 1.00 0.00 H new ATOM 229 N GLY A 16 15.028 -4.309 23.016 1.00 0.00 N ATOM 230 CA GLY A 16 14.641 -3.472 24.139 1.00 0.00 C ATOM 231 C GLY A 16 14.795 -1.989 23.797 1.00 0.00 C ATOM 232 O GLY A 16 15.780 -1.359 24.176 1.00 0.00 O ATOM 0 H GLY A 16 14.449 -5.138 22.883 1.00 0.00 H new ATOM 0 HA2 GLY A 16 13.607 -3.680 24.413 1.00 0.00 H new ATOM 0 HA3 GLY A 16 15.255 -3.714 25.006 1.00 0.00 H new ATOM 236 N HIS A 17 13.805 -1.473 23.082 1.00 0.00 N ATOM 237 CA HIS A 17 13.817 -0.076 22.683 1.00 0.00 C ATOM 238 C HIS A 17 13.424 0.801 23.875 1.00 0.00 C ATOM 239 O HIS A 17 12.716 0.351 24.774 1.00 0.00 O ATOM 240 CB HIS A 17 12.925 0.149 21.462 1.00 0.00 C ATOM 241 CG HIS A 17 13.526 -0.336 20.165 1.00 0.00 C ATOM 242 ND1 HIS A 17 12.990 -1.384 19.435 1.00 0.00 N ATOM 243 CD2 HIS A 17 14.620 0.094 19.473 1.00 0.00 C ATOM 244 CE1 HIS A 17 13.737 -1.568 18.357 1.00 0.00 C ATOM 245 NE2 HIS A 17 14.747 -0.652 18.382 1.00 0.00 N ATOM 0 H HIS A 17 12.989 -1.998 22.769 1.00 0.00 H new ATOM 0 HA HIS A 17 14.824 0.211 22.381 1.00 0.00 H new ATOM 0 HB2 HIS A 17 11.973 -0.358 21.622 1.00 0.00 H new ATOM 0 HB3 HIS A 17 12.708 1.214 21.374 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.272 0.904 19.763 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.575 -2.313 17.592 1.00 0.00 H new ATOM 0 HE2 HIS A 17 15.479 -0.556 17.679 1.00 0.00 H new ATOM 253 N PRO A 18 13.915 2.069 23.841 1.00 0.00 N ATOM 254 CA PRO A 18 13.623 3.013 24.907 1.00 0.00 C ATOM 255 C PRO A 18 12.186 3.528 24.803 1.00 0.00 C ATOM 256 O PRO A 18 11.293 3.033 25.490 1.00 0.00 O ATOM 257 CB PRO A 18 14.661 4.111 24.754 1.00 0.00 C ATOM 258 CG PRO A 18 15.199 3.984 23.339 1.00 0.00 C ATOM 259 CD PRO A 18 14.758 2.635 22.793 1.00 0.00 C ATOM 0 HA PRO A 18 13.683 2.563 25.898 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.217 5.093 24.916 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.460 3.998 25.487 1.00 0.00 H new ATOM 0 HG2 PRO A 18 14.821 4.792 22.713 1.00 0.00 H new ATOM 0 HG3 PRO A 18 16.286 4.061 23.335 1.00 0.00 H new ATOM 0 HD2 PRO A 18 14.207 2.747 21.859 1.00 0.00 H new ATOM 0 HD3 PRO A 18 15.614 1.993 22.584 1.00 0.00 H new ATOM 264 N PHE A 19 12.006 4.517 23.940 1.00 0.00 N ATOM 265 CA PHE A 19 10.693 5.105 23.738 1.00 0.00 C ATOM 266 C PHE A 19 10.019 4.525 22.493 1.00 0.00 C ATOM 267 O PHE A 19 8.792 4.479 22.412 1.00 0.00 O ATOM 268 CB PHE A 19 10.903 6.607 23.537 1.00 0.00 C ATOM 269 CG PHE A 19 10.301 7.473 24.646 1.00 0.00 C ATOM 270 CD1 PHE A 19 10.644 7.250 25.943 1.00 0.00 C ATOM 271 CD2 PHE A 19 9.425 8.465 24.335 1.00 0.00 C ATOM 272 CE1 PHE A 19 10.087 8.053 26.974 1.00 0.00 C ATOM 273 CE2 PHE A 19 8.868 9.268 25.365 1.00 0.00 C ATOM 274 CZ PHE A 19 9.211 9.046 26.663 1.00 0.00 C ATOM 0 H PHE A 19 12.748 4.926 23.372 1.00 0.00 H new ATOM 0 HA PHE A 19 10.054 4.894 24.596 1.00 0.00 H new ATOM 0 HB2 PHE A 19 11.972 6.809 23.473 1.00 0.00 H new ATOM 0 HB3 PHE A 19 10.465 6.900 22.583 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.340 6.462 26.189 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.153 8.642 23.305 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.359 7.875 28.004 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.172 10.056 25.118 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.788 9.658 27.446 1.00 0.00 H new ATOM 283 N ARG A 20 10.849 4.097 21.554 1.00 0.00 N ATOM 284 CA ARG A 20 10.348 3.522 20.316 1.00 0.00 C ATOM 285 C ARG A 20 9.313 2.437 20.617 1.00 0.00 C ATOM 286 O ARG A 20 8.280 2.359 19.954 1.00 0.00 O ATOM 287 CB ARG A 20 11.485 2.920 19.490 1.00 0.00 C ATOM 288 CG ARG A 20 11.865 3.838 18.326 1.00 0.00 C ATOM 289 CD ARG A 20 13.323 3.625 17.913 1.00 0.00 C ATOM 290 NE ARG A 20 14.211 4.479 18.732 1.00 0.00 N ATOM 291 CZ ARG A 20 15.547 4.493 18.626 1.00 0.00 C ATOM 292 NH1 ARG A 20 16.156 3.700 17.735 1.00 0.00 N ATOM 293 NH2 ARG A 20 16.272 5.301 19.411 1.00 0.00 N ATOM 0 H ARG A 20 11.866 4.137 21.625 1.00 0.00 H new ATOM 0 HA ARG A 20 9.882 4.323 19.741 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.354 2.756 20.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.183 1.946 19.106 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.211 3.644 17.476 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.713 4.878 18.614 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.596 2.577 18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.449 3.863 16.857 1.00 0.00 H new ATOM 0 HE ARG A 20 13.780 5.096 19.420 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.603 3.086 17.137 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.173 3.710 17.654 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.807 5.905 20.089 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.289 5.312 19.331 1.00 0.00 H new ATOM 304 N ALA A 21 9.626 1.626 21.617 1.00 0.00 N ATOM 305 CA ALA A 21 8.736 0.548 22.013 1.00 0.00 C ATOM 306 C ALA A 21 7.326 1.107 22.220 1.00 0.00 C ATOM 307 O ALA A 21 6.412 0.791 21.460 1.00 0.00 O ATOM 308 CB ALA A 21 9.283 -0.130 23.270 1.00 0.00 C ATOM 0 H ALA A 21 10.484 1.694 22.165 1.00 0.00 H new ATOM 0 HA ALA A 21 8.680 -0.210 21.231 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.615 -0.939 23.567 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.274 -0.535 23.063 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.350 0.600 24.077 1.00 0.00 H new ATOM 314 N TYR A 22 7.194 1.927 23.253 1.00 0.00 N ATOM 315 CA TYR A 22 5.912 2.532 23.568 1.00 0.00 C ATOM 316 C TYR A 22 5.157 2.916 22.294 1.00 0.00 C ATOM 317 O TYR A 22 3.927 2.919 22.273 1.00 0.00 O ATOM 318 CB TYR A 22 6.229 3.802 24.360 1.00 0.00 C ATOM 319 CG TYR A 22 5.474 3.913 25.687 1.00 0.00 C ATOM 320 CD1 TYR A 22 5.665 2.966 26.671 1.00 0.00 C ATOM 321 CD2 TYR A 22 4.601 4.961 25.898 1.00 0.00 C ATOM 322 CE1 TYR A 22 4.954 3.070 27.919 1.00 0.00 C ATOM 323 CE2 TYR A 22 3.891 5.066 27.146 1.00 0.00 C ATOM 324 CZ TYR A 22 4.102 4.115 28.095 1.00 0.00 C ATOM 325 OH TYR A 22 3.430 4.214 29.274 1.00 0.00 O ATOM 0 H TYR A 22 7.954 2.186 23.882 1.00 0.00 H new ATOM 0 HA TYR A 22 5.286 1.835 24.126 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.300 3.836 24.559 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.992 4.670 23.745 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.348 2.146 26.506 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.451 5.702 25.127 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.094 2.335 28.697 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.206 5.882 27.325 1.00 0.00 H new ATOM 0 HH TYR A 22 2.858 5.010 29.259 1.00 0.00 H new ATOM 334 N LEU A 23 5.926 3.229 21.261 1.00 0.00 N ATOM 335 CA LEU A 23 5.346 3.614 19.986 1.00 0.00 C ATOM 336 C LEU A 23 4.929 2.356 19.221 1.00 0.00 C ATOM 337 O LEU A 23 3.770 2.215 18.834 1.00 0.00 O ATOM 338 CB LEU A 23 6.307 4.515 19.209 1.00 0.00 C ATOM 339 CG LEU A 23 5.680 5.374 18.109 1.00 0.00 C ATOM 340 CD1 LEU A 23 4.637 6.332 18.688 1.00 0.00 C ATOM 341 CD2 LEU A 23 6.757 6.113 17.310 1.00 0.00 C ATOM 0 H LEU A 23 6.946 3.224 21.281 1.00 0.00 H new ATOM 0 HA LEU A 23 4.445 4.208 20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.807 5.175 19.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.077 3.889 18.759 1.00 0.00 H new ATOM 0 HG LEU A 23 5.160 4.714 17.415 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.207 6.931 17.885 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.848 5.759 19.176 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.112 6.990 19.416 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.285 6.716 16.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.325 6.760 17.978 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.428 5.389 16.848 1.00 0.00 H new ATOM 352 N GLU A 24 5.898 1.474 19.025 1.00 0.00 N ATOM 353 CA GLU A 24 5.646 0.232 18.312 1.00 0.00 C ATOM 354 C GLU A 24 4.556 -0.575 19.020 1.00 0.00 C ATOM 355 O GLU A 24 3.843 -1.351 18.387 1.00 0.00 O ATOM 356 CB GLU A 24 6.930 -0.587 18.169 1.00 0.00 C ATOM 357 CG GLU A 24 7.634 -0.277 16.847 1.00 0.00 C ATOM 358 CD GLU A 24 6.836 -0.819 15.660 1.00 0.00 C ATOM 359 OE1 GLU A 24 6.904 -2.048 15.444 1.00 0.00 O ATOM 360 OE2 GLU A 24 6.177 0.008 14.994 1.00 0.00 O ATOM 0 H GLU A 24 6.858 1.594 19.347 1.00 0.00 H new ATOM 0 HA GLU A 24 5.296 0.476 17.309 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.599 -0.369 19.001 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.695 -1.650 18.219 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.761 0.801 16.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.631 -0.717 16.850 1.00 0.00 H new ATOM 365 N SER A 25 4.461 -0.364 20.326 1.00 0.00 N ATOM 366 CA SER A 25 3.471 -1.061 21.126 1.00 0.00 C ATOM 367 C SER A 25 2.062 -0.637 20.703 1.00 0.00 C ATOM 368 O SER A 25 1.210 -1.483 20.436 1.00 0.00 O ATOM 369 CB SER A 25 3.680 -0.793 22.618 1.00 0.00 C ATOM 370 OG SER A 25 2.627 -1.334 23.411 1.00 0.00 O ATOM 0 H SER A 25 5.055 0.280 20.848 1.00 0.00 H new ATOM 0 HA SER A 25 3.588 -2.131 20.957 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.630 -1.224 22.934 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.746 0.282 22.787 1.00 0.00 H new ATOM 0 HG SER A 25 2.798 -1.143 24.357 1.00 0.00 H new ATOM 375 N GLU A 26 1.862 0.672 20.658 1.00 0.00 N ATOM 376 CA GLU A 26 0.572 1.217 20.272 1.00 0.00 C ATOM 377 C GLU A 26 0.117 0.618 18.940 1.00 0.00 C ATOM 378 O GLU A 26 -1.079 0.542 18.665 1.00 0.00 O ATOM 379 CB GLU A 26 0.625 2.745 20.196 1.00 0.00 C ATOM 380 CG GLU A 26 -0.480 3.375 21.047 1.00 0.00 C ATOM 381 CD GLU A 26 -0.298 3.026 22.525 1.00 0.00 C ATOM 382 OE1 GLU A 26 0.853 3.143 22.999 1.00 0.00 O ATOM 383 OE2 GLU A 26 -1.314 2.651 23.149 1.00 0.00 O ATOM 0 H GLU A 26 2.571 1.370 20.882 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.157 0.947 21.036 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.598 3.096 20.539 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.518 3.065 19.160 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.469 4.458 20.921 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.453 3.024 20.704 1.00 0.00 H new ATOM 388 N VAL A 27 1.098 0.205 18.149 1.00 0.00 N ATOM 389 CA VAL A 27 0.813 -0.387 16.853 1.00 0.00 C ATOM 390 C VAL A 27 0.444 -1.860 17.039 1.00 0.00 C ATOM 391 O VAL A 27 -0.538 -2.334 16.469 1.00 0.00 O ATOM 392 CB VAL A 27 2.003 -0.184 15.913 1.00 0.00 C ATOM 393 CG1 VAL A 27 1.787 -0.918 14.588 1.00 0.00 C ATOM 394 CG2 VAL A 27 2.269 1.305 15.678 1.00 0.00 C ATOM 0 H VAL A 27 2.089 0.269 18.381 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.041 0.106 16.388 1.00 0.00 H new ATOM 0 HB VAL A 27 2.884 -0.610 16.392 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.647 -0.757 13.938 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.670 -1.985 14.778 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.889 -0.536 14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.120 1.421 15.007 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.388 1.766 15.231 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.489 1.790 16.629 1.00 0.00 H new ATOM 404 N ALA A 28 1.250 -2.543 17.839 1.00 0.00 N ATOM 405 CA ALA A 28 1.020 -3.952 18.107 1.00 0.00 C ATOM 406 C ALA A 28 -0.247 -4.106 18.952 1.00 0.00 C ATOM 407 O ALA A 28 -0.865 -5.169 18.964 1.00 0.00 O ATOM 408 CB ALA A 28 2.251 -4.549 18.790 1.00 0.00 C ATOM 0 H ALA A 28 2.063 -2.146 18.310 1.00 0.00 H new ATOM 0 HA ALA A 28 0.865 -4.499 17.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.079 -5.606 18.991 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.118 -4.440 18.138 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.436 -4.026 19.729 1.00 0.00 H new ATOM 414 N ILE A 29 -0.596 -3.028 19.639 1.00 0.00 N ATOM 415 CA ILE A 29 -1.777 -3.030 20.485 1.00 0.00 C ATOM 416 C ILE A 29 -3.021 -2.829 19.616 1.00 0.00 C ATOM 417 O ILE A 29 -4.099 -3.319 19.948 1.00 0.00 O ATOM 418 CB ILE A 29 -1.636 -1.996 21.605 1.00 0.00 C ATOM 419 CG1 ILE A 29 -2.046 -2.591 22.954 1.00 0.00 C ATOM 420 CG2 ILE A 29 -2.419 -0.723 21.278 1.00 0.00 C ATOM 421 CD1 ILE A 29 -3.569 -2.670 23.079 1.00 0.00 C ATOM 0 H ILE A 29 -0.081 -2.147 19.627 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.887 -3.993 20.984 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.585 -1.716 21.682 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.617 -3.587 23.062 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.642 -1.981 23.762 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.302 -0.005 22.090 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.039 -0.290 20.353 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.475 -0.966 21.158 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.833 -3.096 24.047 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.993 -1.669 22.995 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.967 -3.301 22.284 1.00 0.00 H new ATOM 432 N SER A 30 -2.829 -2.107 18.522 1.00 0.00 N ATOM 433 CA SER A 30 -3.922 -1.836 17.604 1.00 0.00 C ATOM 434 C SER A 30 -4.435 -3.144 16.999 1.00 0.00 C ATOM 435 O SER A 30 -5.606 -3.249 16.639 1.00 0.00 O ATOM 436 CB SER A 30 -3.485 -0.874 16.497 1.00 0.00 C ATOM 437 OG SER A 30 -2.803 0.264 17.017 1.00 0.00 O ATOM 0 H SER A 30 -1.933 -1.702 18.251 1.00 0.00 H new ATOM 0 HA SER A 30 -4.729 -1.362 18.163 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.834 -1.398 15.797 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.360 -0.547 15.935 1.00 0.00 H new ATOM 0 HG SER A 30 -1.955 -0.018 17.419 1.00 0.00 H new ATOM 442 N GLU A 31 -3.532 -4.109 16.907 1.00 0.00 N ATOM 443 CA GLU A 31 -3.878 -5.407 16.352 1.00 0.00 C ATOM 444 C GLU A 31 -4.967 -6.072 17.196 1.00 0.00 C ATOM 445 O GLU A 31 -5.758 -6.863 16.684 1.00 0.00 O ATOM 446 CB GLU A 31 -2.643 -6.304 16.244 1.00 0.00 C ATOM 447 CG GLU A 31 -1.418 -5.501 15.805 1.00 0.00 C ATOM 448 CD GLU A 31 -0.367 -6.410 15.163 1.00 0.00 C ATOM 449 OE1 GLU A 31 -0.781 -7.452 14.611 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.825 -6.041 15.238 1.00 0.00 O ATOM 0 H GLU A 31 -2.561 -4.018 17.207 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.267 -5.258 15.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.447 -6.776 17.207 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.832 -7.105 15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.719 -4.730 15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.986 -4.991 16.666 1.00 0.00 H new ATOM 455 N GLU A 32 -4.974 -5.727 18.475 1.00 0.00 N ATOM 456 CA GLU A 32 -5.953 -6.280 19.394 1.00 0.00 C ATOM 457 C GLU A 32 -7.262 -5.492 19.312 1.00 0.00 C ATOM 458 O GLU A 32 -8.330 -6.025 19.612 1.00 0.00 O ATOM 459 CB GLU A 32 -5.413 -6.297 20.826 1.00 0.00 C ATOM 460 CG GLU A 32 -4.751 -7.639 21.146 1.00 0.00 C ATOM 461 CD GLU A 32 -3.842 -7.524 22.371 1.00 0.00 C ATOM 462 OE1 GLU A 32 -2.856 -6.762 22.276 1.00 0.00 O ATOM 463 OE2 GLU A 32 -4.153 -8.201 23.374 1.00 0.00 O ATOM 0 H GLU A 32 -4.317 -5.071 18.896 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.153 -7.311 19.103 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.691 -5.491 20.956 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.226 -6.112 21.528 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.517 -8.393 21.327 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.170 -7.976 20.288 1.00 0.00 H new ATOM 468 N LEU A 33 -7.138 -4.238 18.905 1.00 0.00 N ATOM 469 CA LEU A 33 -8.298 -3.372 18.779 1.00 0.00 C ATOM 470 C LEU A 33 -9.279 -3.985 17.778 1.00 0.00 C ATOM 471 O LEU A 33 -10.476 -4.069 18.049 1.00 0.00 O ATOM 472 CB LEU A 33 -7.867 -1.947 18.426 1.00 0.00 C ATOM 473 CG LEU A 33 -7.553 -1.028 19.609 1.00 0.00 C ATOM 474 CD1 LEU A 33 -8.826 -0.371 20.145 1.00 0.00 C ATOM 475 CD2 LEU A 33 -6.793 -1.783 20.701 1.00 0.00 C ATOM 0 H LEU A 33 -6.251 -3.800 18.658 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.822 -3.294 19.732 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.983 -2.003 17.791 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.657 -1.486 17.833 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.902 -0.228 19.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.575 0.277 20.985 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.290 0.221 19.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.522 -1.142 20.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.582 -1.108 21.530 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.399 -2.616 21.057 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.856 -2.164 20.295 1.00 0.00 H new ATOM 486 N VAL A 34 -8.737 -4.396 16.642 1.00 0.00 N ATOM 487 CA VAL A 34 -9.549 -4.998 15.598 1.00 0.00 C ATOM 488 C VAL A 34 -10.146 -6.309 16.115 1.00 0.00 C ATOM 489 O VAL A 34 -11.107 -6.824 15.547 1.00 0.00 O ATOM 490 CB VAL A 34 -8.719 -5.179 14.327 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.721 -6.328 14.483 1.00 0.00 C ATOM 492 CG2 VAL A 34 -9.621 -5.397 13.110 1.00 0.00 C ATOM 0 H VAL A 34 -7.744 -4.324 16.421 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.380 -4.343 15.335 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.152 -4.263 14.164 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.143 -6.435 13.565 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.047 -6.115 15.313 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.260 -7.254 14.683 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.006 -5.523 12.219 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -10.227 -6.290 13.262 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.273 -4.533 12.981 1.00 0.00 H new ATOM 502 N GLN A 35 -9.551 -6.810 17.187 1.00 0.00 N ATOM 503 CA GLN A 35 -10.010 -8.052 17.787 1.00 0.00 C ATOM 504 C GLN A 35 -11.126 -7.772 18.797 1.00 0.00 C ATOM 505 O GLN A 35 -12.059 -8.561 18.931 1.00 0.00 O ATOM 506 CB GLN A 35 -8.853 -8.805 18.445 1.00 0.00 C ATOM 507 CG GLN A 35 -9.260 -10.237 18.797 1.00 0.00 C ATOM 508 CD GLN A 35 -9.773 -10.323 20.236 1.00 0.00 C ATOM 509 OE1 GLN A 35 -9.201 -9.770 21.160 1.00 0.00 O ATOM 510 NE2 GLN A 35 -10.882 -11.044 20.373 1.00 0.00 N ATOM 0 H GLN A 35 -8.755 -6.379 17.656 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.410 -8.687 16.997 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.996 -8.822 17.772 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.539 -8.280 19.347 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.034 -10.578 18.110 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.406 -10.903 18.671 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.310 -11.481 19.557 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.304 -11.160 21.294 1.00 0.00 H new ATOM 517 N LYS A 36 -10.993 -6.645 19.480 1.00 0.00 N ATOM 518 CA LYS A 36 -11.978 -6.251 20.473 1.00 0.00 C ATOM 519 C LYS A 36 -13.276 -5.853 19.768 1.00 0.00 C ATOM 520 O LYS A 36 -14.350 -5.903 20.364 1.00 0.00 O ATOM 521 CB LYS A 36 -11.413 -5.159 21.384 1.00 0.00 C ATOM 522 CG LYS A 36 -11.600 -5.524 22.858 1.00 0.00 C ATOM 523 CD LYS A 36 -12.923 -4.975 23.396 1.00 0.00 C ATOM 524 CE LYS A 36 -13.429 -5.816 24.570 1.00 0.00 C ATOM 525 NZ LYS A 36 -13.087 -5.168 25.856 1.00 0.00 N ATOM 0 H LYS A 36 -10.218 -5.992 19.365 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.215 -7.089 21.128 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.353 -5.016 21.173 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.910 -4.212 21.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.578 -6.608 22.973 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.772 -5.124 23.443 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.789 -3.942 23.716 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.668 -4.969 22.601 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.509 -5.943 24.496 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.988 -6.812 24.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.437 -5.751 26.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.054 -5.069 25.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.529 -4.227 25.899 1.00 0.00 H new ATOM 535 N TYR A 37 -13.134 -5.468 18.508 1.00 0.00 N ATOM 536 CA TYR A 37 -14.281 -5.063 17.715 1.00 0.00 C ATOM 537 C TYR A 37 -15.356 -6.152 17.708 1.00 0.00 C ATOM 538 O TYR A 37 -16.532 -5.867 17.490 1.00 0.00 O ATOM 539 CB TYR A 37 -13.761 -4.867 16.289 1.00 0.00 C ATOM 540 CG TYR A 37 -14.080 -6.030 15.347 1.00 0.00 C ATOM 541 CD1 TYR A 37 -13.583 -7.290 15.613 1.00 0.00 C ATOM 542 CD2 TYR A 37 -14.862 -5.819 14.229 1.00 0.00 C ATOM 543 CE1 TYR A 37 -13.882 -8.384 14.726 1.00 0.00 C ATOM 544 CE2 TYR A 37 -15.161 -6.913 13.343 1.00 0.00 C ATOM 545 CZ TYR A 37 -14.656 -8.141 13.634 1.00 0.00 C ATOM 546 OH TYR A 37 -14.938 -9.175 12.796 1.00 0.00 O ATOM 0 H TYR A 37 -12.241 -5.428 18.017 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.729 -4.158 18.125 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.189 -3.952 15.879 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.681 -4.726 16.323 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.970 -7.455 16.487 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.249 -4.833 14.019 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.500 -9.375 14.923 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.773 -6.762 12.466 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.501 -8.856 12.060 1.00 0.00 H new ATOM 555 N SER A 38 -14.913 -7.377 17.950 1.00 0.00 N ATOM 556 CA SER A 38 -15.822 -8.511 17.975 1.00 0.00 C ATOM 557 C SER A 38 -16.568 -8.553 19.310 1.00 0.00 C ATOM 558 O SER A 38 -17.791 -8.683 19.338 1.00 0.00 O ATOM 559 CB SER A 38 -15.071 -9.824 17.745 1.00 0.00 C ATOM 560 OG SER A 38 -15.155 -10.255 16.389 1.00 0.00 O ATOM 0 H SER A 38 -13.936 -7.609 18.131 1.00 0.00 H new ATOM 0 HA SER A 38 -16.543 -8.390 17.166 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.024 -9.696 18.021 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.481 -10.595 18.397 1.00 0.00 H new ATOM 0 HG SER A 38 -15.076 -9.480 15.794 1.00 0.00 H new ATOM 565 N ASN A 39 -15.801 -8.442 20.385 1.00 0.00 N ATOM 566 CA ASN A 39 -16.375 -8.466 21.719 1.00 0.00 C ATOM 567 C ASN A 39 -17.115 -7.151 21.976 1.00 0.00 C ATOM 568 O ASN A 39 -18.285 -7.157 22.353 1.00 0.00 O ATOM 569 CB ASN A 39 -15.286 -8.612 22.784 1.00 0.00 C ATOM 570 CG ASN A 39 -14.796 -10.059 22.874 1.00 0.00 C ATOM 571 OD1 ASN A 39 -15.526 -10.967 23.233 1.00 0.00 O ATOM 572 ND2 ASN A 39 -13.523 -10.220 22.526 1.00 0.00 N ATOM 0 H ASN A 39 -14.787 -8.335 20.359 1.00 0.00 H new ATOM 0 HA ASN A 39 -17.054 -9.316 21.778 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.449 -7.955 22.546 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.674 -8.295 23.752 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.101 -11.148 22.550 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.968 -9.415 22.235 1.00 0.00 H new ATOM 578 N SER A 40 -16.400 -6.056 21.762 1.00 0.00 N ATOM 579 CA SER A 40 -16.973 -4.737 21.967 1.00 0.00 C ATOM 580 C SER A 40 -18.308 -4.626 21.225 1.00 0.00 C ATOM 581 O SER A 40 -19.253 -4.023 21.731 1.00 0.00 O ATOM 582 CB SER A 40 -16.014 -3.641 21.498 1.00 0.00 C ATOM 583 OG SER A 40 -15.573 -3.853 20.159 1.00 0.00 O ATOM 0 H SER A 40 -15.429 -6.056 21.449 1.00 0.00 H new ATOM 0 HA SER A 40 -17.144 -4.600 23.035 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.509 -2.672 21.567 1.00 0.00 H new ATOM 0 HB3 SER A 40 -15.151 -3.606 22.163 1.00 0.00 H new ATOM 0 HG SER A 40 -15.429 -4.811 20.010 1.00 0.00 H new ATOM 588 N ALA A 41 -18.341 -5.219 20.041 1.00 0.00 N ATOM 589 CA ALA A 41 -19.544 -5.195 19.226 1.00 0.00 C ATOM 590 C ALA A 41 -20.738 -5.639 20.074 1.00 0.00 C ATOM 591 O ALA A 41 -21.882 -5.320 19.756 1.00 0.00 O ATOM 592 CB ALA A 41 -19.344 -6.079 17.994 1.00 0.00 C ATOM 0 H ALA A 41 -17.554 -5.719 19.626 1.00 0.00 H new ATOM 0 HA ALA A 41 -19.748 -4.184 18.872 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.246 -6.061 17.383 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -18.503 -5.705 17.410 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.140 -7.102 18.310 1.00 0.00 H new ATOM 598 N LEU A 42 -20.430 -6.369 21.137 1.00 0.00 N ATOM 599 CA LEU A 42 -21.463 -6.860 22.031 1.00 0.00 C ATOM 600 C LEU A 42 -22.417 -5.715 22.380 1.00 0.00 C ATOM 601 O LEU A 42 -23.575 -5.949 22.722 1.00 0.00 O ATOM 602 CB LEU A 42 -20.838 -7.532 23.255 1.00 0.00 C ATOM 603 CG LEU A 42 -20.160 -6.598 24.260 1.00 0.00 C ATOM 604 CD1 LEU A 42 -21.196 -5.881 25.128 1.00 0.00 C ATOM 605 CD2 LEU A 42 -19.130 -7.353 25.102 1.00 0.00 C ATOM 0 H LEU A 42 -19.480 -6.632 21.398 1.00 0.00 H new ATOM 0 HA LEU A 42 -22.056 -7.632 21.539 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -21.616 -8.090 23.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -20.102 -8.258 22.910 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.621 -5.831 23.704 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -20.687 -5.224 25.833 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -21.857 -5.290 24.493 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -21.783 -6.617 25.677 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -18.663 -6.666 25.808 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -19.625 -8.155 25.650 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -18.367 -7.777 24.449 1.00 0.00 H new ATOM 616 N GLY A 43 -21.895 -4.502 22.280 1.00 0.00 N ATOM 617 CA GLY A 43 -22.686 -3.320 22.580 1.00 0.00 C ATOM 618 C GLY A 43 -22.215 -2.120 21.755 1.00 0.00 C ATOM 619 O GLY A 43 -21.905 -1.066 22.307 1.00 0.00 O ATOM 0 H GLY A 43 -20.934 -4.312 21.996 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -23.737 -3.519 22.371 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -22.610 -3.088 23.642 1.00 0.00 H new ATOM 623 N HIS A 44 -22.175 -2.324 20.446 1.00 0.00 N ATOM 624 CA HIS A 44 -21.747 -1.273 19.539 1.00 0.00 C ATOM 625 C HIS A 44 -20.579 -0.502 20.159 1.00 0.00 C ATOM 626 O HIS A 44 -20.410 0.689 19.904 1.00 0.00 O ATOM 627 CB HIS A 44 -22.922 -0.366 19.165 1.00 0.00 C ATOM 628 CG HIS A 44 -23.093 -0.166 17.677 1.00 0.00 C ATOM 629 ND1 HIS A 44 -22.206 0.570 16.912 1.00 0.00 N ATOM 630 CD2 HIS A 44 -24.058 -0.616 16.823 1.00 0.00 C ATOM 631 CE1 HIS A 44 -22.627 0.558 15.656 1.00 0.00 C ATOM 632 NE2 HIS A 44 -23.775 -0.176 15.604 1.00 0.00 N ATOM 0 H HIS A 44 -22.432 -3.201 19.993 1.00 0.00 H new ATOM 0 HA HIS A 44 -21.392 -1.715 18.608 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -23.840 -0.791 19.572 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -22.783 0.606 19.638 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -24.907 -1.226 17.094 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -22.146 1.044 14.820 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -24.326 -0.357 14.765 1.00 0.00 H new ATOM 640 N VAL A 45 -19.803 -1.216 20.963 1.00 0.00 N ATOM 641 CA VAL A 45 -18.655 -0.615 21.622 1.00 0.00 C ATOM 642 C VAL A 45 -17.470 -0.595 20.656 1.00 0.00 C ATOM 643 O VAL A 45 -16.581 0.246 20.774 1.00 0.00 O ATOM 644 CB VAL A 45 -18.352 -1.358 22.925 1.00 0.00 C ATOM 645 CG1 VAL A 45 -17.119 -0.772 23.615 1.00 0.00 C ATOM 646 CG2 VAL A 45 -19.563 -1.341 23.860 1.00 0.00 C ATOM 0 H VAL A 45 -19.947 -2.204 21.173 1.00 0.00 H new ATOM 0 HA VAL A 45 -18.869 0.418 21.895 1.00 0.00 H new ATOM 0 HB VAL A 45 -18.135 -2.397 22.676 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.925 -1.318 24.538 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.257 -0.859 22.954 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -17.296 0.279 23.845 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -19.321 -1.876 24.779 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -19.824 -0.310 24.098 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -20.408 -1.825 23.370 1.00 0.00 H new ATOM 656 N ASN A 46 -17.495 -1.533 19.719 1.00 0.00 N ATOM 657 CA ASN A 46 -16.433 -1.634 18.733 1.00 0.00 C ATOM 658 C ASN A 46 -16.308 -0.304 17.986 1.00 0.00 C ATOM 659 O ASN A 46 -15.202 0.146 17.691 1.00 0.00 O ATOM 660 CB ASN A 46 -16.738 -2.726 17.706 1.00 0.00 C ATOM 661 CG ASN A 46 -18.164 -2.591 17.168 1.00 0.00 C ATOM 662 OD1 ASN A 46 -18.936 -1.746 17.590 1.00 0.00 O ATOM 663 ND2 ASN A 46 -18.468 -3.468 16.216 1.00 0.00 N ATOM 0 H ASN A 46 -18.234 -2.229 19.623 1.00 0.00 H new ATOM 0 HA ASN A 46 -15.509 -1.879 19.256 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.027 -2.664 16.882 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -16.610 -3.707 18.164 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -19.396 -3.460 15.792 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.773 -4.149 15.909 1.00 0.00 H new ATOM 669 N CYS A 47 -17.458 0.288 17.702 1.00 0.00 N ATOM 670 CA CYS A 47 -17.493 1.558 16.995 1.00 0.00 C ATOM 671 C CYS A 47 -16.799 2.609 17.864 1.00 0.00 C ATOM 672 O CYS A 47 -16.396 3.661 17.368 1.00 0.00 O ATOM 673 CB CYS A 47 -18.922 1.967 16.636 1.00 0.00 C ATOM 674 SG CYS A 47 -18.899 3.459 15.577 1.00 0.00 S ATOM 0 H CYS A 47 -18.374 -0.088 17.948 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.964 1.464 16.047 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -19.423 1.150 16.117 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -19.492 2.164 17.544 1.00 0.00 H new ATOM 0 HG CYS A 47 -19.226 3.133 14.362 1.00 0.00 H new ATOM 679 N THR A 48 -16.681 2.289 19.143 1.00 0.00 N ATOM 680 CA THR A 48 -16.043 3.193 20.085 1.00 0.00 C ATOM 681 C THR A 48 -14.526 2.995 20.071 1.00 0.00 C ATOM 682 O THR A 48 -13.769 3.963 20.022 1.00 0.00 O ATOM 683 CB THR A 48 -16.673 2.965 21.460 1.00 0.00 C ATOM 684 OG1 THR A 48 -18.073 2.911 21.198 1.00 0.00 O ATOM 685 CG2 THR A 48 -16.513 4.174 22.386 1.00 0.00 C ATOM 0 H THR A 48 -17.016 1.416 19.550 1.00 0.00 H new ATOM 0 HA THR A 48 -16.206 4.234 19.806 1.00 0.00 H new ATOM 0 HB THR A 48 -16.220 2.089 21.925 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.557 2.764 22.037 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.978 3.959 23.348 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.453 4.382 22.533 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.994 5.043 21.937 1.00 0.00 H new ATOM 693 N ILE A 49 -14.127 1.732 20.114 1.00 0.00 N ATOM 694 CA ILE A 49 -12.713 1.394 20.107 1.00 0.00 C ATOM 695 C ILE A 49 -12.175 1.502 18.679 1.00 0.00 C ATOM 696 O ILE A 49 -11.082 2.023 18.461 1.00 0.00 O ATOM 697 CB ILE A 49 -12.487 0.024 20.748 1.00 0.00 C ATOM 698 CG1 ILE A 49 -13.189 -1.077 19.950 1.00 0.00 C ATOM 699 CG2 ILE A 49 -12.915 0.027 22.217 1.00 0.00 C ATOM 700 CD1 ILE A 49 -12.199 -1.810 19.041 1.00 0.00 C ATOM 0 H ILE A 49 -14.757 0.931 20.154 1.00 0.00 H new ATOM 0 HA ILE A 49 -12.149 2.101 20.715 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.419 -0.191 20.725 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.655 -1.787 20.634 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.988 -0.643 19.349 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.743 -0.959 22.648 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.333 0.768 22.764 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.974 0.274 22.287 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.723 -2.587 18.485 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.753 -1.102 18.343 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.415 -2.263 19.648 1.00 0.00 H new ATOM 711 N LYS A 50 -12.967 1.000 17.743 1.00 0.00 N ATOM 712 CA LYS A 50 -12.583 1.034 16.342 1.00 0.00 C ATOM 713 C LYS A 50 -12.436 2.488 15.892 1.00 0.00 C ATOM 714 O LYS A 50 -11.386 2.882 15.386 1.00 0.00 O ATOM 715 CB LYS A 50 -13.570 0.226 15.497 1.00 0.00 C ATOM 716 CG LYS A 50 -13.522 -1.258 15.866 1.00 0.00 C ATOM 717 CD LYS A 50 -12.081 -1.772 15.888 1.00 0.00 C ATOM 718 CE LYS A 50 -11.338 -1.371 14.613 1.00 0.00 C ATOM 719 NZ LYS A 50 -9.911 -1.755 14.703 1.00 0.00 N ATOM 0 H LYS A 50 -13.872 0.568 17.927 1.00 0.00 H new ATOM 0 HA LYS A 50 -11.613 0.557 16.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -14.580 0.609 15.646 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.335 0.349 14.440 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -13.980 -1.408 16.844 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.106 -1.834 15.148 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.561 -1.371 16.758 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.079 -2.857 15.988 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.797 -1.854 13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.422 -0.295 14.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.320 -0.987 14.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.660 -1.927 15.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.749 -2.621 14.150 1.00 0.00 H new ATOM 729 N GLU A 51 -13.503 3.248 16.093 1.00 0.00 N ATOM 730 CA GLU A 51 -13.506 4.651 15.715 1.00 0.00 C ATOM 731 C GLU A 51 -12.345 5.384 16.390 1.00 0.00 C ATOM 732 O GLU A 51 -11.988 6.491 15.987 1.00 0.00 O ATOM 733 CB GLU A 51 -14.843 5.308 16.058 1.00 0.00 C ATOM 734 CG GLU A 51 -14.903 6.741 15.526 1.00 0.00 C ATOM 735 CD GLU A 51 -15.307 7.720 16.630 1.00 0.00 C ATOM 736 OE1 GLU A 51 -14.384 8.221 17.311 1.00 0.00 O ATOM 737 OE2 GLU A 51 -16.528 7.945 16.770 1.00 0.00 O ATOM 0 H GLU A 51 -14.372 2.918 16.513 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.373 4.717 14.635 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.659 4.724 15.632 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.984 5.312 17.139 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.931 7.024 15.122 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.618 6.798 14.705 1.00 0.00 H new ATOM 742 N LEU A 52 -11.788 4.739 17.404 1.00 0.00 N ATOM 743 CA LEU A 52 -10.675 5.316 18.138 1.00 0.00 C ATOM 744 C LEU A 52 -9.361 4.891 17.481 1.00 0.00 C ATOM 745 O LEU A 52 -8.623 5.726 16.962 1.00 0.00 O ATOM 746 CB LEU A 52 -10.767 4.954 19.621 1.00 0.00 C ATOM 747 CG LEU A 52 -10.853 6.131 20.596 1.00 0.00 C ATOM 748 CD1 LEU A 52 -12.297 6.611 20.750 1.00 0.00 C ATOM 749 CD2 LEU A 52 -10.219 5.775 21.942 1.00 0.00 C ATOM 0 H LEU A 52 -12.087 3.822 17.735 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.714 6.404 18.096 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.644 4.323 19.767 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.895 4.354 19.883 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.281 6.961 20.181 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.330 7.448 21.448 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.679 6.932 19.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.913 5.796 21.131 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.293 6.628 22.616 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.742 4.923 22.376 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.170 5.520 21.794 1.00 0.00 H new ATOM 760 N ARG A 53 -9.107 3.591 17.525 1.00 0.00 N ATOM 761 CA ARG A 53 -7.895 3.044 16.941 1.00 0.00 C ATOM 762 C ARG A 53 -7.916 3.213 15.420 1.00 0.00 C ATOM 763 O ARG A 53 -7.147 3.999 14.869 1.00 0.00 O ATOM 764 CB ARG A 53 -7.740 1.560 17.280 1.00 0.00 C ATOM 765 CG ARG A 53 -6.702 0.896 16.373 1.00 0.00 C ATOM 766 CD ARG A 53 -7.361 -0.113 15.431 1.00 0.00 C ATOM 767 NE ARG A 53 -6.339 -1.019 14.864 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.530 -0.696 13.846 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.619 0.514 13.277 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.631 -1.582 13.397 1.00 0.00 N ATOM 0 H ARG A 53 -9.721 2.900 17.957 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.050 3.590 17.360 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.440 1.451 18.322 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.700 1.056 17.170 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.183 1.657 15.791 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.951 0.393 16.982 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.111 -0.691 15.971 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.879 0.411 14.628 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.244 -1.948 15.274 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.303 1.189 13.619 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.003 0.760 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.562 -2.503 13.830 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.015 -1.336 12.622 1.00 0.00 H new ATOM 781 N ARG A 54 -8.805 2.463 14.785 1.00 0.00 N ATOM 782 CA ARG A 54 -8.936 2.520 13.339 1.00 0.00 C ATOM 783 C ARG A 54 -9.451 3.894 12.907 1.00 0.00 C ATOM 784 O ARG A 54 -8.888 4.517 12.008 1.00 0.00 O ATOM 785 CB ARG A 54 -9.892 1.440 12.830 1.00 0.00 C ATOM 786 CG ARG A 54 -9.450 0.916 11.463 1.00 0.00 C ATOM 787 CD ARG A 54 -9.215 -0.595 11.504 1.00 0.00 C ATOM 788 NE ARG A 54 -7.788 -0.893 11.251 1.00 0.00 N ATOM 789 CZ ARG A 54 -7.212 -2.077 11.503 1.00 0.00 C ATOM 790 NH1 ARG A 54 -7.937 -3.081 12.016 1.00 0.00 N ATOM 791 NH2 ARG A 54 -5.910 -2.258 11.241 1.00 0.00 N ATOM 0 H ARG A 54 -9.442 1.813 15.246 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.949 2.347 12.909 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.930 0.617 13.544 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.901 1.847 12.759 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.210 1.149 10.717 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.535 1.422 11.154 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.511 -0.991 12.475 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.836 -1.088 10.756 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.206 -0.152 10.861 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.928 -2.945 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.498 -3.981 12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.358 -1.495 10.850 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.472 -3.159 11.433 1.00 0.00 H new ATOM 802 N LEU A 55 -10.515 4.326 13.567 1.00 0.00 N ATOM 803 CA LEU A 55 -11.113 5.615 13.262 1.00 0.00 C ATOM 804 C LEU A 55 -11.690 5.582 11.845 1.00 0.00 C ATOM 805 O LEU A 55 -12.050 6.622 11.294 1.00 0.00 O ATOM 806 CB LEU A 55 -10.103 6.741 13.489 1.00 0.00 C ATOM 807 CG LEU A 55 -9.231 7.112 12.288 1.00 0.00 C ATOM 808 CD1 LEU A 55 -9.426 8.580 11.901 1.00 0.00 C ATOM 809 CD2 LEU A 55 -7.761 6.781 12.553 1.00 0.00 C ATOM 0 H LEU A 55 -10.979 3.806 14.312 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.942 5.821 13.939 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.646 7.631 13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.449 6.455 14.313 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.549 6.509 11.437 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.795 8.817 11.045 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.470 8.752 11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.152 9.217 12.742 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.164 7.055 11.683 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.413 7.339 13.422 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.657 5.713 12.743 1.00 0.00 H new ATOM 820 N PHE A 56 -11.759 4.379 11.297 1.00 0.00 N ATOM 821 CA PHE A 56 -12.285 4.197 9.955 1.00 0.00 C ATOM 822 C PHE A 56 -13.188 2.964 9.882 1.00 0.00 C ATOM 823 O PHE A 56 -14.217 2.982 9.209 1.00 0.00 O ATOM 824 CB PHE A 56 -11.086 3.992 9.027 1.00 0.00 C ATOM 825 CG PHE A 56 -10.479 5.293 8.498 1.00 0.00 C ATOM 826 CD1 PHE A 56 -11.095 5.970 7.490 1.00 0.00 C ATOM 827 CD2 PHE A 56 -9.326 5.774 9.034 1.00 0.00 C ATOM 828 CE1 PHE A 56 -10.531 7.177 6.999 1.00 0.00 C ATOM 829 CE2 PHE A 56 -8.763 6.981 8.543 1.00 0.00 C ATOM 830 CZ PHE A 56 -9.377 7.657 7.535 1.00 0.00 C ATOM 0 H PHE A 56 -11.459 3.520 11.758 1.00 0.00 H new ATOM 0 HA PHE A 56 -12.877 5.066 9.668 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.317 3.435 9.562 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -11.395 3.377 8.182 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -12.012 5.589 7.064 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.838 5.237 9.834 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.019 7.714 6.199 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.847 7.363 8.970 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.948 8.575 7.160 1.00 0.00 H new ATOM 839 N LEU A 57 -12.769 1.921 10.585 1.00 0.00 N ATOM 840 CA LEU A 57 -13.527 0.682 10.609 1.00 0.00 C ATOM 841 C LEU A 57 -14.890 0.935 11.256 1.00 0.00 C ATOM 842 O LEU A 57 -15.923 0.561 10.702 1.00 0.00 O ATOM 843 CB LEU A 57 -12.720 -0.426 11.288 1.00 0.00 C ATOM 844 CG LEU A 57 -13.195 -1.858 11.027 1.00 0.00 C ATOM 845 CD1 LEU A 57 -12.148 -2.648 10.240 1.00 0.00 C ATOM 846 CD2 LEU A 57 -13.576 -2.555 12.336 1.00 0.00 C ATOM 0 H LEU A 57 -11.914 1.909 11.142 1.00 0.00 H new ATOM 0 HA LEU A 57 -13.716 0.331 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -11.683 -0.344 10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -12.733 -0.250 12.364 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.094 -1.814 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.510 -3.662 10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.968 -2.160 9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.219 -2.686 10.808 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.910 -3.571 12.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.709 -2.589 12.996 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.380 -2.003 12.822 1.00 0.00 H new ATOM 857 N VAL A 58 -14.850 1.567 12.419 1.00 0.00 N ATOM 858 CA VAL A 58 -16.069 1.874 13.148 1.00 0.00 C ATOM 859 C VAL A 58 -16.998 0.659 13.115 1.00 0.00 C ATOM 860 O VAL A 58 -17.785 0.500 12.183 1.00 0.00 O ATOM 861 CB VAL A 58 -16.716 3.138 12.576 1.00 0.00 C ATOM 862 CG1 VAL A 58 -15.921 4.385 12.967 1.00 0.00 C ATOM 863 CG2 VAL A 58 -16.867 3.036 11.057 1.00 0.00 C ATOM 0 H VAL A 58 -13.992 1.875 12.875 1.00 0.00 H new ATOM 0 HA VAL A 58 -15.846 2.084 14.194 1.00 0.00 H new ATOM 0 HB VAL A 58 -17.713 3.229 13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -16.402 5.269 12.548 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -15.888 4.470 14.053 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -14.906 4.306 12.579 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -17.329 3.946 10.675 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.885 2.909 10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -17.495 2.180 10.810 1.00 0.00 H new ATOM 873 N ASP A 59 -16.875 -0.168 14.143 1.00 0.00 N ATOM 874 CA ASP A 59 -17.693 -1.363 14.243 1.00 0.00 C ATOM 875 C ASP A 59 -17.727 -2.069 12.885 1.00 0.00 C ATOM 876 O ASP A 59 -18.583 -1.779 12.052 1.00 0.00 O ATOM 877 CB ASP A 59 -19.132 -1.016 14.630 1.00 0.00 C ATOM 878 CG ASP A 59 -19.783 0.079 13.783 1.00 0.00 C ATOM 879 OD1 ASP A 59 -19.362 1.246 13.943 1.00 0.00 O ATOM 880 OD2 ASP A 59 -20.687 -0.275 12.996 1.00 0.00 O ATOM 0 H ASP A 59 -16.221 -0.033 14.914 1.00 0.00 H new ATOM 0 HA ASP A 59 -17.258 -2.005 15.009 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.739 -1.918 14.559 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -19.146 -0.704 15.674 1.00 0.00 H new ATOM 884 N ASP A 60 -16.783 -2.982 12.705 1.00 0.00 N ATOM 885 CA ASP A 60 -16.694 -3.730 11.463 1.00 0.00 C ATOM 886 C ASP A 60 -16.454 -2.761 10.304 1.00 0.00 C ATOM 887 O ASP A 60 -15.636 -3.029 9.425 1.00 0.00 O ATOM 888 CB ASP A 60 -17.993 -4.489 11.183 1.00 0.00 C ATOM 889 CG ASP A 60 -18.020 -5.258 9.860 1.00 0.00 C ATOM 890 OD1 ASP A 60 -16.995 -5.907 9.560 1.00 0.00 O ATOM 891 OD2 ASP A 60 -19.066 -5.180 9.179 1.00 0.00 O ATOM 0 H ASP A 60 -16.074 -3.220 13.398 1.00 0.00 H new ATOM 0 HA ASP A 60 -15.873 -4.441 11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.169 -5.191 11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.820 -3.779 11.190 1.00 0.00 H new TER 895 ASP A 60