USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 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 Single : A 1 LYS N :NH3+ 179:sc= 0 (180deg=-0.00042) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.234 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= -0.0263 (180deg=-0.264) USER MOD Single : A 13 TYR OH : rot -130:sc= -1.45 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.564 K(o=0.56,f=-0.83) USER MOD Single : A 22 GLN : amide:sc= -4.41! C(o=-4.4!,f=-7.6!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -116:sc= -0.561 (180deg=-2.13!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.25 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0264 K(o=-0.026,f=-3.5!) USER MOD Single : A 62 SER OG : rot 119:sc= 0.997 USER MOD Single : A 67 GLN : amide:sc= 0.768 K(o=0.77,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.0709 (180deg=-0.0709) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.861 -1.334 -1.963 1.00 0.00 C ATOM 4 O LYS A 1 2.820 -2.047 -2.254 1.00 0.00 O ATOM 5 CB LYS A 1 3.544 0.332 -0.987 1.00 0.00 C ATOM 6 CG LYS A 1 3.914 1.690 -1.586 1.00 0.00 C ATOM 7 CD LYS A 1 4.914 2.429 -0.694 1.00 0.00 C ATOM 8 CE LYS A 1 4.327 3.748 -0.188 1.00 0.00 C ATOM 9 NZ LYS A 1 4.849 4.065 1.160 1.00 0.00 N ATOM 0 H1 LYS A 1 1.481 0.899 0.499 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.311 -0.112 -0.204 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.647 -0.788 0.598 1.00 0.00 H new ATOM 0 HA LYS A 1 1.705 0.782 -1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.736 0.340 0.086 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.176 -0.444 -1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.342 1.549 -2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.015 2.294 -1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.186 1.799 0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.829 2.625 -1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.577 4.553 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 1 3.240 3.680 -0.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.440 4.963 1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.589 3.305 1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.885 4.150 1.120 1.00 0.00 H new ATOM 23 N SER A 2 0.597 -1.633 -2.228 1.00 0.00 N ATOM 24 CA SER A 2 0.247 -2.869 -2.906 1.00 0.00 C ATOM 25 C SER A 2 0.470 -2.721 -4.413 1.00 0.00 C ATOM 26 O SER A 2 0.535 -1.606 -4.928 1.00 0.00 O ATOM 27 CB SER A 2 -1.205 -3.261 -2.621 1.00 0.00 C ATOM 28 OG SER A 2 -1.305 -4.570 -2.069 1.00 0.00 O ATOM 0 H SER A 2 -0.197 -1.040 -1.985 1.00 0.00 H new ATOM 0 HA SER A 2 0.891 -3.662 -2.526 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.646 -2.542 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.782 -3.212 -3.545 1.00 0.00 H new ATOM 0 HG SER A 2 -2.247 -4.783 -1.900 1.00 0.00 H new ATOM 34 N PRO A 3 0.585 -3.892 -5.094 1.00 0.00 N ATOM 35 CA PRO A 3 0.800 -3.904 -6.531 1.00 0.00 C ATOM 36 C PRO A 3 -0.487 -3.554 -7.281 1.00 0.00 C ATOM 37 O PRO A 3 -0.453 -2.831 -8.276 1.00 0.00 O ATOM 38 CB PRO A 3 1.307 -5.303 -6.842 1.00 0.00 C ATOM 39 CG PRO A 3 0.917 -6.162 -5.650 1.00 0.00 C ATOM 40 CD PRO A 3 0.514 -5.231 -4.518 1.00 0.00 C ATOM 0 HA PRO A 3 1.521 -3.153 -6.854 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.862 -5.685 -7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 3 2.387 -5.304 -6.987 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.092 -6.825 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.751 -6.794 -5.346 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.491 -5.455 -4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.186 -5.331 -3.665 1.00 0.00 H new ATOM 48 N GLU A 4 -1.591 -4.083 -6.775 1.00 0.00 N ATOM 49 CA GLU A 4 -2.887 -3.835 -7.385 1.00 0.00 C ATOM 50 C GLU A 4 -3.184 -2.334 -7.408 1.00 0.00 C ATOM 51 O GLU A 4 -3.797 -1.834 -8.349 1.00 0.00 O ATOM 52 CB GLU A 4 -3.991 -4.602 -6.655 1.00 0.00 C ATOM 53 CG GLU A 4 -4.752 -5.516 -7.618 1.00 0.00 C ATOM 54 CD GLU A 4 -5.791 -4.727 -8.418 1.00 0.00 C ATOM 55 OE1 GLU A 4 -6.357 -3.779 -7.832 1.00 0.00 O ATOM 56 OE2 GLU A 4 -5.994 -5.089 -9.597 1.00 0.00 O ATOM 0 H GLU A 4 -1.615 -4.682 -5.950 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.859 -4.195 -8.413 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.556 -5.196 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.683 -3.898 -6.192 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.050 -5.996 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.246 -6.310 -7.058 1.00 0.00 H new ATOM 63 N GLU A 5 -2.737 -1.659 -6.360 1.00 0.00 N ATOM 64 CA GLU A 5 -2.948 -0.225 -6.248 1.00 0.00 C ATOM 65 C GLU A 5 -2.132 0.516 -7.309 1.00 0.00 C ATOM 66 O GLU A 5 -2.554 1.560 -7.804 1.00 0.00 O ATOM 67 CB GLU A 5 -2.600 0.272 -4.843 1.00 0.00 C ATOM 68 CG GLU A 5 -3.866 0.589 -4.045 1.00 0.00 C ATOM 69 CD GLU A 5 -3.628 1.752 -3.079 1.00 0.00 C ATOM 70 OE1 GLU A 5 -2.672 1.641 -2.281 1.00 0.00 O ATOM 71 OE2 GLU A 5 -4.407 2.726 -3.161 1.00 0.00 O ATOM 0 H GLU A 5 -2.230 -2.078 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.004 -0.018 -6.420 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.016 -0.485 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.977 1.164 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.678 0.839 -4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.179 -0.294 -3.487 1.00 0.00 H new ATOM 78 N LEU A 6 -0.979 -0.054 -7.628 1.00 0.00 N ATOM 79 CA LEU A 6 -0.101 0.540 -8.622 1.00 0.00 C ATOM 80 C LEU A 6 -0.817 0.572 -9.974 1.00 0.00 C ATOM 81 O LEU A 6 -0.754 1.570 -10.690 1.00 0.00 O ATOM 82 CB LEU A 6 1.242 -0.191 -8.655 1.00 0.00 C ATOM 83 CG LEU A 6 2.296 0.298 -7.659 1.00 0.00 C ATOM 84 CD1 LEU A 6 3.352 -0.780 -7.404 1.00 0.00 C ATOM 85 CD2 LEU A 6 2.923 1.614 -8.126 1.00 0.00 C ATOM 0 H LEU A 6 -0.633 -0.920 -7.216 1.00 0.00 H new ATOM 0 HA LEU A 6 0.130 1.572 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.061 -1.250 -8.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.654 -0.107 -9.661 1.00 0.00 H new ATOM 0 HG LEU A 6 1.801 0.496 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.089 -0.407 -6.693 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.872 -1.670 -6.996 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.848 -1.032 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.668 1.940 -7.400 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.400 1.466 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.148 2.375 -8.216 1.00 0.00 H new ATOM 97 N LYS A 7 -1.480 -0.533 -10.283 1.00 0.00 N ATOM 98 CA LYS A 7 -2.206 -0.644 -11.537 1.00 0.00 C ATOM 99 C LYS A 7 -3.324 0.400 -11.567 1.00 0.00 C ATOM 100 O LYS A 7 -3.430 1.175 -12.517 1.00 0.00 O ATOM 101 CB LYS A 7 -2.698 -2.077 -11.747 1.00 0.00 C ATOM 102 CG LYS A 7 -2.509 -2.514 -13.201 1.00 0.00 C ATOM 103 CD LYS A 7 -3.629 -3.461 -13.638 1.00 0.00 C ATOM 104 CE LYS A 7 -4.663 -2.729 -14.495 1.00 0.00 C ATOM 105 NZ LYS A 7 -5.541 -3.698 -15.188 1.00 0.00 N ATOM 0 H LYS A 7 -1.530 -1.359 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.547 -0.432 -12.379 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.154 -2.753 -11.087 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.752 -2.147 -11.477 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.495 -1.638 -13.849 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.544 -3.009 -13.313 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.207 -4.293 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.115 -3.885 -12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.263 -2.070 -13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.157 -2.099 -15.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.237 -3.185 -15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.966 -4.310 -15.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.038 -4.281 -14.485 1.00 0.00 H new ATOM 119 N GLY A 8 -4.131 0.387 -10.517 1.00 0.00 N ATOM 120 CA GLY A 8 -5.238 1.323 -10.411 1.00 0.00 C ATOM 121 C GLY A 8 -4.737 2.769 -10.429 1.00 0.00 C ATOM 122 O GLY A 8 -5.191 3.577 -11.237 1.00 0.00 O ATOM 0 H GLY A 8 -4.041 -0.257 -9.731 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.933 1.165 -11.236 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.789 1.137 -9.489 1.00 0.00 H new ATOM 126 N ILE A 9 -3.807 3.050 -9.528 1.00 0.00 N ATOM 127 CA ILE A 9 -3.239 4.384 -9.430 1.00 0.00 C ATOM 128 C ILE A 9 -2.703 4.808 -10.799 1.00 0.00 C ATOM 129 O ILE A 9 -2.973 5.916 -11.259 1.00 0.00 O ATOM 130 CB ILE A 9 -2.192 4.440 -8.316 1.00 0.00 C ATOM 131 CG1 ILE A 9 -2.857 4.580 -6.945 1.00 0.00 C ATOM 132 CG2 ILE A 9 -1.174 5.552 -8.576 1.00 0.00 C ATOM 133 CD1 ILE A 9 -1.809 4.726 -5.840 1.00 0.00 C ATOM 0 H ILE A 9 -3.433 2.377 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.007 5.105 -9.151 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.645 3.497 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.516 5.448 -6.943 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.479 3.707 -6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.441 5.570 -7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.667 5.367 -9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.688 6.512 -8.621 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.308 4.824 -4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.167 3.845 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.204 5.613 -6.027 1.00 0.00 H new ATOM 145 N PHE A 10 -1.955 3.902 -11.412 1.00 0.00 N ATOM 146 CA PHE A 10 -1.379 4.168 -12.719 1.00 0.00 C ATOM 147 C PHE A 10 -2.445 4.667 -13.697 1.00 0.00 C ATOM 148 O PHE A 10 -2.293 5.729 -14.298 1.00 0.00 O ATOM 149 CB PHE A 10 -0.810 2.845 -13.235 1.00 0.00 C ATOM 150 CG PHE A 10 -0.710 2.763 -14.760 1.00 0.00 C ATOM 151 CD1 PHE A 10 -1.778 2.344 -15.490 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.447 3.109 -15.385 1.00 0.00 C ATOM 153 CE1 PHE A 10 -1.685 2.267 -16.905 1.00 0.00 C ATOM 154 CE2 PHE A 10 0.540 3.033 -16.800 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.528 2.614 -17.530 1.00 0.00 C ATOM 0 H PHE A 10 -1.735 2.983 -11.028 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.611 4.937 -12.637 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.182 2.697 -12.808 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.437 2.028 -12.878 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.697 2.070 -14.994 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.295 3.442 -14.805 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.533 1.933 -17.485 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.459 3.308 -17.296 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.457 2.557 -18.606 1.00 0.00 H new ATOM 165 N GLU A 11 -3.501 3.876 -13.825 1.00 0.00 N ATOM 166 CA GLU A 11 -4.592 4.224 -14.719 1.00 0.00 C ATOM 167 C GLU A 11 -5.242 5.537 -14.278 1.00 0.00 C ATOM 168 O GLU A 11 -5.679 6.328 -15.113 1.00 0.00 O ATOM 169 CB GLU A 11 -5.625 3.097 -14.788 1.00 0.00 C ATOM 170 CG GLU A 11 -5.586 2.400 -16.150 1.00 0.00 C ATOM 171 CD GLU A 11 -6.935 1.756 -16.474 1.00 0.00 C ATOM 172 OE1 GLU A 11 -7.423 0.996 -15.611 1.00 0.00 O ATOM 173 OE2 GLU A 11 -7.447 2.038 -17.579 1.00 0.00 O ATOM 0 H GLU A 11 -3.624 2.996 -13.325 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.185 4.361 -15.721 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.430 2.371 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.622 3.501 -14.611 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.328 3.122 -16.925 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.806 1.639 -16.151 1.00 0.00 H new ATOM 180 N LYS A 12 -5.284 5.728 -12.968 1.00 0.00 N ATOM 181 CA LYS A 12 -5.873 6.932 -12.406 1.00 0.00 C ATOM 182 C LYS A 12 -5.149 8.158 -12.965 1.00 0.00 C ATOM 183 O LYS A 12 -5.749 9.220 -13.123 1.00 0.00 O ATOM 184 CB LYS A 12 -5.877 6.864 -10.878 1.00 0.00 C ATOM 185 CG LYS A 12 -6.642 8.045 -10.278 1.00 0.00 C ATOM 186 CD LYS A 12 -5.885 8.643 -9.091 1.00 0.00 C ATOM 187 CE LYS A 12 -6.843 9.345 -8.126 1.00 0.00 C ATOM 188 NZ LYS A 12 -7.649 8.351 -7.383 1.00 0.00 N ATOM 0 H LYS A 12 -4.920 5.070 -12.279 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.919 7.017 -12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.333 5.929 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.852 6.865 -10.508 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.793 8.810 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.630 7.717 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.346 7.855 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.140 9.353 -9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.278 9.960 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.501 10.015 -8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.018 8.784 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.443 8.034 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.053 7.535 -7.137 1.00 0.00 H new ATOM 202 N TYR A 13 -3.868 7.970 -13.249 1.00 0.00 N ATOM 203 CA TYR A 13 -3.055 9.048 -13.787 1.00 0.00 C ATOM 204 C TYR A 13 -2.993 8.978 -15.314 1.00 0.00 C ATOM 205 O TYR A 13 -3.000 10.008 -15.987 1.00 0.00 O ATOM 206 CB TYR A 13 -1.649 8.838 -13.222 1.00 0.00 C ATOM 207 CG TYR A 13 -1.417 9.510 -11.867 1.00 0.00 C ATOM 208 CD1 TYR A 13 -1.903 8.926 -10.715 1.00 0.00 C ATOM 209 CD2 TYR A 13 -0.721 10.700 -11.797 1.00 0.00 C ATOM 210 CE1 TYR A 13 -1.685 9.559 -9.440 1.00 0.00 C ATOM 211 CE2 TYR A 13 -0.503 11.332 -10.522 1.00 0.00 C ATOM 212 CZ TYR A 13 -0.995 10.731 -9.406 1.00 0.00 C ATOM 213 OH TYR A 13 -0.789 11.328 -8.202 1.00 0.00 O ATOM 0 H TYR A 13 -3.373 7.088 -13.117 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.474 10.017 -13.516 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.465 7.768 -13.122 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.920 9.222 -13.936 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.447 7.994 -10.770 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.340 11.157 -12.698 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.061 9.113 -8.531 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.040 12.263 -10.453 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.050 12.271 -8.256 1.00 0.00 H new ATOM 223 N ALA A 14 -2.934 7.754 -15.817 1.00 0.00 N ATOM 224 CA ALA A 14 -2.871 7.536 -17.252 1.00 0.00 C ATOM 225 C ALA A 14 -4.186 7.989 -17.891 1.00 0.00 C ATOM 226 O ALA A 14 -4.209 8.394 -19.052 1.00 0.00 O ATOM 227 CB ALA A 14 -2.564 6.063 -17.532 1.00 0.00 C ATOM 0 H ALA A 14 -2.928 6.902 -15.256 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.069 8.126 -17.695 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.517 5.899 -18.609 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.607 5.799 -17.083 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.350 5.440 -17.105 1.00 0.00 H new ATOM 233 N ALA A 15 -5.249 7.905 -17.104 1.00 0.00 N ATOM 234 CA ALA A 15 -6.564 8.301 -17.578 1.00 0.00 C ATOM 235 C ALA A 15 -6.676 9.827 -17.542 1.00 0.00 C ATOM 236 O ALA A 15 -7.505 10.408 -18.239 1.00 0.00 O ATOM 237 CB ALA A 15 -7.639 7.618 -16.731 1.00 0.00 C ATOM 0 H ALA A 15 -5.226 7.569 -16.141 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.712 7.983 -18.610 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.626 7.915 -17.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.534 6.536 -16.813 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.524 7.915 -15.689 1.00 0.00 H new ATOM 243 N LYS A 16 -5.829 10.431 -16.722 1.00 0.00 N ATOM 244 CA LYS A 16 -5.822 11.878 -16.586 1.00 0.00 C ATOM 245 C LYS A 16 -5.663 12.515 -17.968 1.00 0.00 C ATOM 246 O LYS A 16 -6.572 13.187 -18.454 1.00 0.00 O ATOM 247 CB LYS A 16 -4.756 12.317 -15.580 1.00 0.00 C ATOM 248 CG LYS A 16 -5.343 13.276 -14.542 1.00 0.00 C ATOM 249 CD LYS A 16 -4.234 13.973 -13.751 1.00 0.00 C ATOM 250 CE LYS A 16 -4.668 15.375 -13.319 1.00 0.00 C ATOM 251 NZ LYS A 16 -5.303 15.332 -11.983 1.00 0.00 N ATOM 0 H LYS A 16 -5.143 9.945 -16.145 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.772 12.227 -16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.342 11.442 -15.079 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.934 12.803 -16.105 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.963 14.021 -15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.991 12.727 -13.859 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.981 13.380 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.333 14.039 -14.361 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.804 16.039 -13.296 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.367 15.786 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.592 16.292 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.139 14.715 -12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.625 14.959 -11.288 1.00 0.00 H new ATOM 265 N GLU A 17 -4.502 12.282 -18.562 1.00 0.00 N ATOM 266 CA GLU A 17 -4.212 12.824 -19.878 1.00 0.00 C ATOM 267 C GLU A 17 -3.995 11.692 -20.883 1.00 0.00 C ATOM 268 O GLU A 17 -3.225 10.768 -20.626 1.00 0.00 O ATOM 269 CB GLU A 17 -3.000 13.757 -19.832 1.00 0.00 C ATOM 270 CG GLU A 17 -3.378 15.119 -19.248 1.00 0.00 C ATOM 271 CD GLU A 17 -2.851 16.257 -20.125 1.00 0.00 C ATOM 272 OE1 GLU A 17 -1.689 16.658 -19.898 1.00 0.00 O ATOM 273 OE2 GLU A 17 -3.623 16.701 -21.003 1.00 0.00 O ATOM 0 H GLU A 17 -3.751 11.725 -18.156 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.070 13.412 -20.204 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.212 13.305 -19.230 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.598 13.887 -20.837 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.462 15.194 -19.162 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.971 15.213 -18.241 1.00 0.00 H new ATOM 280 N GLY A 18 -4.688 11.800 -22.007 1.00 0.00 N ATOM 281 CA GLY A 18 -4.581 10.796 -23.052 1.00 0.00 C ATOM 282 C GLY A 18 -5.104 9.442 -22.568 1.00 0.00 C ATOM 283 O GLY A 18 -5.550 9.317 -21.429 1.00 0.00 O ATOM 0 H GLY A 18 -5.326 12.568 -22.217 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.146 11.116 -23.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.541 10.698 -23.362 1.00 0.00 H new ATOM 287 N ASP A 19 -5.033 8.464 -23.459 1.00 0.00 N ATOM 288 CA ASP A 19 -5.495 7.124 -23.136 1.00 0.00 C ATOM 289 C ASP A 19 -4.818 6.652 -21.848 1.00 0.00 C ATOM 290 O ASP A 19 -3.638 6.922 -21.628 1.00 0.00 O ATOM 291 CB ASP A 19 -5.137 6.136 -24.248 1.00 0.00 C ATOM 292 CG ASP A 19 -6.088 4.946 -24.387 1.00 0.00 C ATOM 293 OD1 ASP A 19 -5.891 3.971 -23.630 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.990 5.038 -25.246 1.00 0.00 O ATOM 0 H ASP A 19 -4.663 8.572 -24.403 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.578 7.159 -23.019 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.111 6.673 -25.196 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.131 5.758 -24.068 1.00 0.00 H new ATOM 299 N PRO A 20 -5.614 5.938 -21.009 1.00 0.00 N ATOM 300 CA PRO A 20 -5.105 5.426 -19.748 1.00 0.00 C ATOM 301 C PRO A 20 -4.198 4.214 -19.975 1.00 0.00 C ATOM 302 O PRO A 20 -3.685 3.631 -19.021 1.00 0.00 O ATOM 303 CB PRO A 20 -6.341 5.096 -18.928 1.00 0.00 C ATOM 304 CG PRO A 20 -7.487 4.997 -19.923 1.00 0.00 C ATOM 305 CD PRO A 20 -7.016 5.599 -21.237 1.00 0.00 C ATOM 0 HA PRO A 20 -4.478 6.147 -19.225 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.212 4.159 -18.387 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.535 5.869 -18.185 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -7.782 3.957 -20.063 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.363 5.529 -19.551 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.123 4.890 -22.058 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.599 6.482 -21.500 1.00 0.00 H new ATOM 313 N ASN A 21 -4.027 3.872 -21.244 1.00 0.00 N ATOM 314 CA ASN A 21 -3.191 2.741 -21.608 1.00 0.00 C ATOM 315 C ASN A 21 -1.751 3.219 -21.804 1.00 0.00 C ATOM 316 O ASN A 21 -0.823 2.657 -21.225 1.00 0.00 O ATOM 317 CB ASN A 21 -3.662 2.107 -22.918 1.00 0.00 C ATOM 318 CG ASN A 21 -4.822 1.140 -22.674 1.00 0.00 C ATOM 319 OD1 ASN A 21 -4.662 -0.070 -22.654 1.00 0.00 O ATOM 320 ND2 ASN A 21 -5.995 1.738 -22.490 1.00 0.00 N ATOM 0 H ASN A 21 -4.453 4.359 -22.033 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.254 2.004 -20.808 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.974 2.887 -23.612 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.834 1.576 -23.387 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.831 1.179 -22.319 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.059 2.756 -22.519 1.00 0.00 H new ATOM 327 N GLN A 22 -1.611 4.251 -22.623 1.00 0.00 N ATOM 328 CA GLN A 22 -0.299 4.811 -22.903 1.00 0.00 C ATOM 329 C GLN A 22 -0.021 5.999 -21.979 1.00 0.00 C ATOM 330 O GLN A 22 -0.839 6.911 -21.872 1.00 0.00 O ATOM 331 CB GLN A 22 -0.180 5.219 -24.372 1.00 0.00 C ATOM 332 CG GLN A 22 -1.464 5.893 -24.860 1.00 0.00 C ATOM 333 CD GLN A 22 -2.413 4.871 -25.490 1.00 0.00 C ATOM 334 OE1 GLN A 22 -2.425 3.701 -25.146 1.00 0.00 O ATOM 335 NE2 GLN A 22 -3.206 5.378 -26.431 1.00 0.00 N ATOM 0 H GLN A 22 -2.384 4.714 -23.102 1.00 0.00 H new ATOM 0 HA GLN A 22 0.451 4.044 -22.711 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.662 5.900 -24.497 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.028 4.340 -24.982 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.959 6.388 -24.025 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.219 6.665 -25.589 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.145 6.367 -26.671 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.875 4.777 -26.912 1.00 0.00 H new ATOM 344 N LEU A 23 1.136 5.949 -21.336 1.00 0.00 N ATOM 345 CA LEU A 23 1.532 7.010 -20.425 1.00 0.00 C ATOM 346 C LEU A 23 2.232 8.118 -21.214 1.00 0.00 C ATOM 347 O LEU A 23 2.592 7.927 -22.375 1.00 0.00 O ATOM 348 CB LEU A 23 2.374 6.445 -19.279 1.00 0.00 C ATOM 349 CG LEU A 23 1.596 5.929 -18.067 1.00 0.00 C ATOM 350 CD1 LEU A 23 1.281 7.067 -17.093 1.00 0.00 C ATOM 351 CD2 LEU A 23 0.334 5.182 -18.503 1.00 0.00 C ATOM 0 H LEU A 23 1.812 5.191 -21.428 1.00 0.00 H new ATOM 0 HA LEU A 23 0.655 7.457 -19.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.983 5.629 -19.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.060 7.222 -18.942 1.00 0.00 H new ATOM 0 HG LEU A 23 2.225 5.215 -17.536 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.728 6.673 -16.240 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.211 7.517 -16.746 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.680 7.823 -17.598 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.200 4.826 -17.622 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.309 5.855 -19.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.611 4.333 -19.127 1.00 0.00 H new ATOM 363 N SER A 24 2.404 9.253 -20.553 1.00 0.00 N ATOM 364 CA SER A 24 3.055 10.392 -21.177 1.00 0.00 C ATOM 365 C SER A 24 3.981 11.082 -20.173 1.00 0.00 C ATOM 366 O SER A 24 3.832 10.907 -18.965 1.00 0.00 O ATOM 367 CB SER A 24 2.025 11.386 -21.719 1.00 0.00 C ATOM 368 OG SER A 24 0.996 10.737 -22.461 1.00 0.00 O ATOM 0 H SER A 24 2.104 9.408 -19.591 1.00 0.00 H new ATOM 0 HA SER A 24 3.647 10.029 -22.017 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.582 11.937 -20.890 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.525 12.116 -22.355 1.00 0.00 H new ATOM 0 HG SER A 24 0.358 11.405 -22.789 1.00 0.00 H new ATOM 374 N LYS A 25 4.917 11.850 -20.711 1.00 0.00 N ATOM 375 CA LYS A 25 5.867 12.566 -19.877 1.00 0.00 C ATOM 376 C LYS A 25 5.107 13.372 -18.822 1.00 0.00 C ATOM 377 O LYS A 25 5.301 13.172 -17.624 1.00 0.00 O ATOM 378 CB LYS A 25 6.805 13.413 -20.739 1.00 0.00 C ATOM 379 CG LYS A 25 7.921 14.030 -19.893 1.00 0.00 C ATOM 380 CD LYS A 25 8.514 15.261 -20.581 1.00 0.00 C ATOM 381 CE LYS A 25 7.792 16.537 -20.141 1.00 0.00 C ATOM 382 NZ LYS A 25 8.764 17.538 -19.647 1.00 0.00 N ATOM 0 H LYS A 25 5.038 11.992 -21.714 1.00 0.00 H new ATOM 0 HA LYS A 25 6.508 11.865 -19.343 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.239 12.795 -21.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.238 14.203 -21.231 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.529 14.309 -18.915 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.704 13.291 -19.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.575 15.339 -20.343 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.437 15.150 -21.663 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.229 16.950 -20.978 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.072 16.303 -19.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.591 17.721 -18.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.730 17.175 -19.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.654 18.423 -20.183 1.00 0.00 H new ATOM 396 N GLU A 26 4.257 14.266 -19.305 1.00 0.00 N ATOM 397 CA GLU A 26 3.466 15.103 -18.418 1.00 0.00 C ATOM 398 C GLU A 26 2.650 14.236 -17.457 1.00 0.00 C ATOM 399 O GLU A 26 2.552 14.543 -16.270 1.00 0.00 O ATOM 400 CB GLU A 26 2.558 16.042 -19.215 1.00 0.00 C ATOM 401 CG GLU A 26 2.878 17.506 -18.907 1.00 0.00 C ATOM 402 CD GLU A 26 1.723 18.174 -18.159 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.710 18.059 -16.915 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.878 18.785 -18.849 1.00 0.00 O ATOM 0 H GLU A 26 4.098 14.429 -20.299 1.00 0.00 H new ATOM 0 HA GLU A 26 4.146 15.720 -17.831 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.682 15.855 -20.282 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.515 15.836 -18.975 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.787 17.565 -18.308 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.073 18.042 -19.836 1.00 0.00 H new ATOM 411 N GLU A 27 2.086 13.170 -18.006 1.00 0.00 N ATOM 412 CA GLU A 27 1.282 12.256 -17.213 1.00 0.00 C ATOM 413 C GLU A 27 2.121 11.655 -16.083 1.00 0.00 C ATOM 414 O GLU A 27 1.794 11.816 -14.909 1.00 0.00 O ATOM 415 CB GLU A 27 0.674 11.159 -18.088 1.00 0.00 C ATOM 416 CG GLU A 27 -0.745 11.528 -18.524 1.00 0.00 C ATOM 417 CD GLU A 27 -1.607 10.277 -18.701 1.00 0.00 C ATOM 418 OE1 GLU A 27 -1.059 9.278 -19.214 1.00 0.00 O ATOM 419 OE2 GLU A 27 -2.795 10.348 -18.320 1.00 0.00 O ATOM 0 H GLU A 27 2.170 12.919 -18.991 1.00 0.00 H new ATOM 0 HA GLU A 27 0.460 12.818 -16.770 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.299 11.002 -18.967 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.656 10.218 -17.538 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.198 12.184 -17.781 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.708 12.084 -19.461 1.00 0.00 H new ATOM 426 N LEU A 28 3.187 10.974 -16.479 1.00 0.00 N ATOM 427 CA LEU A 28 4.075 10.348 -15.514 1.00 0.00 C ATOM 428 C LEU A 28 4.543 11.396 -14.503 1.00 0.00 C ATOM 429 O LEU A 28 4.595 11.127 -13.304 1.00 0.00 O ATOM 430 CB LEU A 28 5.220 9.628 -16.229 1.00 0.00 C ATOM 431 CG LEU A 28 5.879 8.483 -15.457 1.00 0.00 C ATOM 432 CD1 LEU A 28 4.954 7.961 -14.356 1.00 0.00 C ATOM 433 CD2 LEU A 28 6.327 7.368 -16.405 1.00 0.00 C ATOM 0 H LEU A 28 3.455 10.842 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 28 3.546 9.578 -14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.842 9.233 -17.172 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.987 10.362 -16.475 1.00 0.00 H new ATOM 0 HG LEU A 28 6.774 8.870 -14.970 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.446 7.148 -13.823 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.727 8.767 -13.659 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.029 7.595 -14.801 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.792 6.567 -15.830 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.462 6.976 -16.940 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.046 7.766 -17.121 1.00 0.00 H new ATOM 445 N LYS A 29 4.873 12.569 -15.024 1.00 0.00 N ATOM 446 CA LYS A 29 5.336 13.658 -14.182 1.00 0.00 C ATOM 447 C LYS A 29 4.451 13.745 -12.937 1.00 0.00 C ATOM 448 O LYS A 29 4.949 13.695 -11.813 1.00 0.00 O ATOM 449 CB LYS A 29 5.403 14.962 -14.981 1.00 0.00 C ATOM 450 CG LYS A 29 5.958 16.102 -14.125 1.00 0.00 C ATOM 451 CD LYS A 29 6.608 17.177 -14.998 1.00 0.00 C ATOM 452 CE LYS A 29 7.056 18.372 -14.154 1.00 0.00 C ATOM 453 NZ LYS A 29 8.410 18.813 -14.558 1.00 0.00 N ATOM 0 H LYS A 29 4.829 12.789 -16.019 1.00 0.00 H new ATOM 0 HA LYS A 29 6.353 13.469 -13.839 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.033 14.822 -15.860 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.408 15.224 -15.341 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.154 16.544 -13.536 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.691 15.709 -13.420 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.466 16.755 -15.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.901 17.509 -15.759 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.349 19.193 -14.272 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.055 18.100 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.699 19.625 -13.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.084 18.033 -14.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.400 19.092 -15.560 1.00 0.00 H new ATOM 467 N LEU A 30 3.155 13.874 -13.178 1.00 0.00 N ATOM 468 CA LEU A 30 2.196 13.969 -12.090 1.00 0.00 C ATOM 469 C LEU A 30 2.392 12.786 -11.140 1.00 0.00 C ATOM 470 O LEU A 30 2.637 12.975 -9.950 1.00 0.00 O ATOM 471 CB LEU A 30 0.773 14.088 -12.639 1.00 0.00 C ATOM 472 CG LEU A 30 0.512 15.270 -13.575 1.00 0.00 C ATOM 473 CD1 LEU A 30 -0.988 15.533 -13.720 1.00 0.00 C ATOM 474 CD2 LEU A 30 1.271 16.515 -13.111 1.00 0.00 C ATOM 0 H LEU A 30 2.746 13.915 -14.111 1.00 0.00 H new ATOM 0 HA LEU A 30 2.366 14.876 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.532 13.168 -13.172 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.085 14.158 -11.797 1.00 0.00 H new ATOM 0 HG LEU A 30 0.891 15.013 -14.564 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.146 16.378 -14.390 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.475 14.648 -14.130 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.414 15.761 -12.743 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.068 17.340 -13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.946 16.786 -12.107 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.341 16.307 -13.102 1.00 0.00 H new ATOM 486 N LEU A 31 2.276 11.591 -11.702 1.00 0.00 N ATOM 487 CA LEU A 31 2.437 10.378 -10.919 1.00 0.00 C ATOM 488 C LEU A 31 3.731 10.467 -10.108 1.00 0.00 C ATOM 489 O LEU A 31 3.698 10.487 -8.879 1.00 0.00 O ATOM 490 CB LEU A 31 2.360 9.144 -11.821 1.00 0.00 C ATOM 491 CG LEU A 31 1.926 7.843 -11.143 1.00 0.00 C ATOM 492 CD1 LEU A 31 0.713 7.234 -11.849 1.00 0.00 C ATOM 493 CD2 LEU A 31 3.092 6.857 -11.053 1.00 0.00 C ATOM 0 H LEU A 31 2.073 11.438 -12.690 1.00 0.00 H new ATOM 0 HA LEU A 31 1.620 10.274 -10.205 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.666 9.356 -12.634 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.340 8.986 -12.272 1.00 0.00 H new ATOM 0 HG LEU A 31 1.621 8.075 -10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.426 6.310 -11.347 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.118 7.938 -11.817 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.966 7.019 -12.887 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.757 5.941 -10.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.451 6.626 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.900 7.301 -10.472 1.00 0.00 H new ATOM 505 N LEU A 32 4.841 10.517 -10.830 1.00 0.00 N ATOM 506 CA LEU A 32 6.145 10.603 -10.193 1.00 0.00 C ATOM 507 C LEU A 32 6.111 11.691 -9.118 1.00 0.00 C ATOM 508 O LEU A 32 6.907 11.667 -8.180 1.00 0.00 O ATOM 509 CB LEU A 32 7.241 10.808 -11.241 1.00 0.00 C ATOM 510 CG LEU A 32 7.294 9.772 -12.367 1.00 0.00 C ATOM 511 CD1 LEU A 32 8.142 10.277 -13.536 1.00 0.00 C ATOM 512 CD2 LEU A 32 7.784 8.420 -11.845 1.00 0.00 C ATOM 0 H LEU A 32 4.865 10.500 -11.850 1.00 0.00 H new ATOM 0 HA LEU A 32 6.387 9.666 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.110 11.794 -11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.205 10.813 -10.733 1.00 0.00 H new ATOM 0 HG LEU A 32 6.282 9.624 -12.744 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.164 9.523 -14.322 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.710 11.198 -13.928 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.158 10.471 -13.192 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.812 7.702 -12.665 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.784 8.532 -11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.105 8.061 -11.072 1.00 0.00 H new ATOM 524 N GLN A 33 5.182 12.620 -9.290 1.00 0.00 N ATOM 525 CA GLN A 33 5.034 13.714 -8.346 1.00 0.00 C ATOM 526 C GLN A 33 4.488 13.197 -7.014 1.00 0.00 C ATOM 527 O GLN A 33 5.169 13.264 -5.992 1.00 0.00 O ATOM 528 CB GLN A 33 4.136 14.814 -8.917 1.00 0.00 C ATOM 529 CG GLN A 33 4.736 16.198 -8.665 1.00 0.00 C ATOM 530 CD GLN A 33 3.650 17.275 -8.667 1.00 0.00 C ATOM 531 OE1 GLN A 33 2.979 17.518 -7.677 1.00 0.00 O ATOM 532 NE2 GLN A 33 3.515 17.906 -9.830 1.00 0.00 N ATOM 0 H GLN A 33 4.524 12.637 -10.069 1.00 0.00 H new ATOM 0 HA GLN A 33 6.017 14.149 -8.168 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.004 14.661 -9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.147 14.754 -8.462 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.257 16.204 -7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.477 16.422 -9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.109 17.653 -10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.817 18.643 -9.933 1.00 0.00 H new ATOM 541 N THR A 34 3.264 12.692 -7.069 1.00 0.00 N ATOM 542 CA THR A 34 2.619 12.163 -5.880 1.00 0.00 C ATOM 543 C THR A 34 3.129 10.752 -5.579 1.00 0.00 C ATOM 544 O THR A 34 3.519 10.457 -4.450 1.00 0.00 O ATOM 545 CB THR A 34 1.105 12.229 -6.094 1.00 0.00 C ATOM 546 OG1 THR A 34 0.693 13.348 -5.314 1.00 0.00 O ATOM 547 CG2 THR A 34 0.372 11.044 -5.462 1.00 0.00 C ATOM 0 H THR A 34 2.702 12.638 -7.919 1.00 0.00 H new ATOM 0 HA THR A 34 2.864 12.758 -5.000 1.00 0.00 H new ATOM 0 HB THR A 34 0.890 12.260 -7.162 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.276 13.465 -5.396 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.699 11.140 -5.643 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.733 10.115 -5.904 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.559 11.031 -4.388 1.00 0.00 H new ATOM 555 N GLU A 35 3.109 9.918 -6.608 1.00 0.00 N ATOM 556 CA GLU A 35 3.564 8.546 -6.468 1.00 0.00 C ATOM 557 C GLU A 35 4.905 8.504 -5.731 1.00 0.00 C ATOM 558 O GLU A 35 5.012 7.902 -4.663 1.00 0.00 O ATOM 559 CB GLU A 35 3.667 7.860 -7.832 1.00 0.00 C ATOM 560 CG GLU A 35 4.262 6.457 -7.697 1.00 0.00 C ATOM 561 CD GLU A 35 5.337 6.213 -8.758 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.971 7.210 -9.163 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.499 5.034 -9.140 1.00 0.00 O ATOM 0 H GLU A 35 2.785 10.166 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 35 2.829 7.999 -5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.678 7.797 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.287 8.459 -8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.693 6.335 -6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.472 5.712 -7.796 1.00 0.00 H new ATOM 570 N PHE A 36 5.894 9.151 -6.330 1.00 0.00 N ATOM 571 CA PHE A 36 7.222 9.195 -5.744 1.00 0.00 C ATOM 572 C PHE A 36 7.962 10.469 -6.157 1.00 0.00 C ATOM 573 O PHE A 36 8.667 10.483 -7.165 1.00 0.00 O ATOM 574 CB PHE A 36 7.987 7.981 -6.276 1.00 0.00 C ATOM 575 CG PHE A 36 7.872 6.737 -5.393 1.00 0.00 C ATOM 576 CD1 PHE A 36 8.502 6.698 -4.188 1.00 0.00 C ATOM 577 CD2 PHE A 36 7.139 5.670 -5.812 1.00 0.00 C ATOM 578 CE1 PHE A 36 8.395 5.543 -3.369 1.00 0.00 C ATOM 579 CE2 PHE A 36 7.032 4.516 -4.992 1.00 0.00 C ATOM 580 CZ PHE A 36 7.663 4.477 -3.788 1.00 0.00 C ATOM 0 H PHE A 36 5.802 9.649 -7.215 1.00 0.00 H new ATOM 0 HA PHE A 36 7.148 9.185 -4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.619 7.741 -7.274 1.00 0.00 H new ATOM 0 HB3 PHE A 36 9.040 8.245 -6.379 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.083 7.545 -3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.639 5.701 -6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 36 8.896 5.511 -2.413 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.450 3.669 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.583 3.599 -3.165 1.00 0.00 H new ATOM 590 N PRO A 37 7.770 11.536 -5.337 1.00 0.00 N ATOM 591 CA PRO A 37 8.410 12.812 -5.606 1.00 0.00 C ATOM 592 C PRO A 37 9.899 12.765 -5.254 1.00 0.00 C ATOM 593 O PRO A 37 10.608 13.758 -5.404 1.00 0.00 O ATOM 594 CB PRO A 37 7.636 13.824 -4.778 1.00 0.00 C ATOM 595 CG PRO A 37 6.894 13.019 -3.723 1.00 0.00 C ATOM 596 CD PRO A 37 6.942 11.557 -4.135 1.00 0.00 C ATOM 0 HA PRO A 37 8.385 13.079 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.308 14.547 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.941 14.388 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.355 13.155 -2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.862 13.359 -3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.372 10.938 -3.348 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.943 11.169 -4.336 1.00 0.00 H new ATOM 604 N SER A 38 10.327 11.599 -4.791 1.00 0.00 N ATOM 605 CA SER A 38 11.718 11.409 -4.416 1.00 0.00 C ATOM 606 C SER A 38 12.524 10.923 -5.622 1.00 0.00 C ATOM 607 O SER A 38 13.726 11.166 -5.708 1.00 0.00 O ATOM 608 CB SER A 38 11.845 10.417 -3.258 1.00 0.00 C ATOM 609 OG SER A 38 11.066 9.243 -3.473 1.00 0.00 O ATOM 0 H SER A 38 9.735 10.777 -4.667 1.00 0.00 H new ATOM 0 HA SER A 38 12.117 12.368 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 38 12.891 10.140 -3.131 1.00 0.00 H new ATOM 0 HB3 SER A 38 11.528 10.898 -2.332 1.00 0.00 H new ATOM 0 HG SER A 38 11.175 8.634 -2.713 1.00 0.00 H new ATOM 615 N LEU A 39 11.828 10.246 -6.524 1.00 0.00 N ATOM 616 CA LEU A 39 12.464 9.724 -7.721 1.00 0.00 C ATOM 617 C LEU A 39 12.838 10.886 -8.643 1.00 0.00 C ATOM 618 O LEU A 39 13.710 10.748 -9.500 1.00 0.00 O ATOM 619 CB LEU A 39 11.573 8.674 -8.387 1.00 0.00 C ATOM 620 CG LEU A 39 12.135 7.252 -8.439 1.00 0.00 C ATOM 621 CD1 LEU A 39 13.087 7.082 -9.625 1.00 0.00 C ATOM 622 CD2 LEU A 39 12.798 6.875 -7.113 1.00 0.00 C ATOM 0 H LEU A 39 10.830 10.047 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 39 13.390 9.208 -7.466 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.620 8.647 -7.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.364 8.998 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 39 11.305 6.562 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.472 6.063 -9.639 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.551 7.280 -10.553 1.00 0.00 H new ATOM 0 HD13 LEU A 39 13.917 7.782 -9.529 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.189 5.860 -7.177 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.615 7.566 -6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.063 6.931 -6.310 1.00 0.00 H new ATOM 634 N LEU A 40 12.161 12.006 -8.436 1.00 0.00 N ATOM 635 CA LEU A 40 12.411 13.191 -9.237 1.00 0.00 C ATOM 636 C LEU A 40 13.731 13.829 -8.799 1.00 0.00 C ATOM 637 O LEU A 40 14.376 14.528 -9.578 1.00 0.00 O ATOM 638 CB LEU A 40 11.216 14.145 -9.171 1.00 0.00 C ATOM 639 CG LEU A 40 9.908 13.622 -9.768 1.00 0.00 C ATOM 640 CD1 LEU A 40 8.722 14.483 -9.327 1.00 0.00 C ATOM 641 CD2 LEU A 40 10.004 13.516 -11.291 1.00 0.00 C ATOM 0 H LEU A 40 11.439 12.117 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 40 12.519 12.924 -10.288 1.00 0.00 H new ATOM 0 HB2 LEU A 40 11.039 14.402 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 11.484 15.068 -9.685 1.00 0.00 H new ATOM 0 HG LEU A 40 9.736 12.616 -9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.804 14.090 -9.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.643 14.464 -8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.873 15.509 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.061 13.142 -11.690 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.211 14.500 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.808 12.831 -11.558 1.00 0.00 H new ATOM 653 N LYS A 41 14.094 13.565 -7.552 1.00 0.00 N ATOM 654 CA LYS A 41 15.325 14.104 -7.000 1.00 0.00 C ATOM 655 C LYS A 41 16.519 13.396 -7.644 1.00 0.00 C ATOM 656 O LYS A 41 17.563 14.009 -7.864 1.00 0.00 O ATOM 657 CB LYS A 41 15.310 14.019 -5.473 1.00 0.00 C ATOM 658 CG LYS A 41 16.639 13.478 -4.941 1.00 0.00 C ATOM 659 CD LYS A 41 16.830 13.845 -3.468 1.00 0.00 C ATOM 660 CE LYS A 41 17.836 12.909 -2.795 1.00 0.00 C ATOM 661 NZ LYS A 41 19.185 13.518 -2.786 1.00 0.00 N ATOM 0 H LYS A 41 13.557 12.984 -6.908 1.00 0.00 H new ATOM 0 HA LYS A 41 15.417 15.164 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 41 15.121 15.006 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.494 13.373 -5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 41 16.667 12.394 -5.056 1.00 0.00 H new ATOM 0 HG3 LYS A 41 17.462 13.882 -5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.177 14.875 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.873 13.790 -2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 41 17.519 12.698 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.864 11.956 -3.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.855 12.870 -2.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.492 13.697 -3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.157 14.416 -2.262 1.00 0.00 H new ATOM 675 N GLY A 42 16.327 12.116 -7.927 1.00 0.00 N ATOM 676 CA GLY A 42 17.375 11.319 -8.541 1.00 0.00 C ATOM 677 C GLY A 42 18.109 12.117 -9.620 1.00 0.00 C ATOM 678 O GLY A 42 17.623 13.154 -10.070 1.00 0.00 O ATOM 0 H GLY A 42 15.460 11.611 -7.742 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.083 10.994 -7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.943 10.419 -8.979 1.00 0.00 H new ATOM 682 N MET A 43 19.268 11.603 -10.006 1.00 0.00 N ATOM 683 CA MET A 43 20.073 12.254 -11.025 1.00 0.00 C ATOM 684 C MET A 43 19.416 12.137 -12.401 1.00 0.00 C ATOM 685 O MET A 43 19.909 12.698 -13.378 1.00 0.00 O ATOM 686 CB MET A 43 21.462 11.613 -11.065 1.00 0.00 C ATOM 687 CG MET A 43 22.168 11.748 -9.715 1.00 0.00 C ATOM 688 SD MET A 43 23.762 12.521 -9.934 1.00 0.00 S ATOM 689 CE MET A 43 24.489 12.190 -8.338 1.00 0.00 C ATOM 0 H MET A 43 19.668 10.743 -9.631 1.00 0.00 H new ATOM 0 HA MET A 43 20.158 13.311 -10.774 1.00 0.00 H new ATOM 0 HB2 MET A 43 21.372 10.559 -11.329 1.00 0.00 H new ATOM 0 HB3 MET A 43 22.062 12.086 -11.842 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.558 12.341 -9.034 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.291 10.765 -9.260 1.00 0.00 H new ATOM 0 HE1 MET A 43 25.495 12.608 -8.303 1.00 0.00 H new ATOM 0 HE2 MET A 43 23.879 12.646 -7.559 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.538 11.113 -8.177 1.00 0.00 H new ATOM 699 N SER A 44 18.314 11.403 -12.435 1.00 0.00 N ATOM 700 CA SER A 44 17.584 11.205 -13.676 1.00 0.00 C ATOM 701 C SER A 44 16.490 12.265 -13.815 1.00 0.00 C ATOM 702 O SER A 44 15.411 12.128 -13.241 1.00 0.00 O ATOM 703 CB SER A 44 16.974 9.803 -13.738 1.00 0.00 C ATOM 704 OG SER A 44 17.972 8.792 -13.852 1.00 0.00 O ATOM 0 H SER A 44 17.908 10.938 -11.623 1.00 0.00 H new ATOM 0 HA SER A 44 18.285 11.305 -14.504 1.00 0.00 H new ATOM 0 HB2 SER A 44 16.379 9.626 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.295 9.740 -14.588 1.00 0.00 H new ATOM 0 HG SER A 44 17.543 7.911 -13.887 1.00 0.00 H new ATOM 710 N THR A 45 16.807 13.300 -14.580 1.00 0.00 N ATOM 711 CA THR A 45 15.865 14.383 -14.802 1.00 0.00 C ATOM 712 C THR A 45 14.595 13.857 -15.473 1.00 0.00 C ATOM 713 O THR A 45 14.553 12.710 -15.917 1.00 0.00 O ATOM 714 CB THR A 45 16.576 15.469 -15.612 1.00 0.00 C ATOM 715 OG1 THR A 45 17.014 14.794 -16.788 1.00 0.00 O ATOM 716 CG2 THR A 45 17.871 15.941 -14.949 1.00 0.00 C ATOM 0 H THR A 45 17.704 13.411 -15.054 1.00 0.00 H new ATOM 0 HA THR A 45 15.538 14.822 -13.860 1.00 0.00 H new ATOM 0 HB THR A 45 15.906 16.319 -15.746 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.484 15.425 -17.372 1.00 0.00 H new ATOM 0 HG21 THR A 45 18.335 16.711 -15.565 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.647 16.350 -13.964 1.00 0.00 H new ATOM 0 HG23 THR A 45 18.555 15.098 -14.845 1.00 0.00 H new ATOM 724 N LEU A 46 13.591 14.720 -15.527 1.00 0.00 N ATOM 725 CA LEU A 46 12.324 14.356 -16.137 1.00 0.00 C ATOM 726 C LEU A 46 12.580 13.782 -17.532 1.00 0.00 C ATOM 727 O LEU A 46 12.318 12.606 -17.781 1.00 0.00 O ATOM 728 CB LEU A 46 11.364 15.548 -16.130 1.00 0.00 C ATOM 729 CG LEU A 46 9.874 15.208 -16.057 1.00 0.00 C ATOM 730 CD1 LEU A 46 9.325 14.851 -17.440 1.00 0.00 C ATOM 731 CD2 LEU A 46 9.613 14.102 -15.034 1.00 0.00 C ATOM 0 H LEU A 46 13.630 15.670 -15.158 1.00 0.00 H new ATOM 0 HA LEU A 46 11.832 13.576 -15.556 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.613 16.185 -15.281 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.539 16.135 -17.031 1.00 0.00 H new ATOM 0 HG LEU A 46 9.338 16.094 -15.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.264 14.613 -17.360 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.458 15.698 -18.114 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.862 13.987 -17.833 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.546 13.880 -15.002 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.162 13.205 -15.320 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.944 14.432 -14.049 1.00 0.00 H new ATOM 743 N ASP A 47 13.090 14.638 -18.405 1.00 0.00 N ATOM 744 CA ASP A 47 13.385 14.230 -19.768 1.00 0.00 C ATOM 745 C ASP A 47 14.091 12.873 -19.748 1.00 0.00 C ATOM 746 O ASP A 47 13.682 11.946 -20.445 1.00 0.00 O ATOM 747 CB ASP A 47 14.311 15.235 -20.455 1.00 0.00 C ATOM 748 CG ASP A 47 13.607 16.251 -21.357 1.00 0.00 C ATOM 749 OD1 ASP A 47 12.357 16.265 -21.329 1.00 0.00 O ATOM 750 OD2 ASP A 47 14.334 16.991 -22.054 1.00 0.00 O ATOM 0 H ASP A 47 13.306 15.612 -18.195 1.00 0.00 H new ATOM 0 HA ASP A 47 12.444 14.175 -20.315 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.868 15.776 -19.689 1.00 0.00 H new ATOM 0 HB3 ASP A 47 15.040 14.686 -21.051 1.00 0.00 H new ATOM 755 N GLU A 48 15.140 12.800 -18.942 1.00 0.00 N ATOM 756 CA GLU A 48 15.908 11.571 -18.823 1.00 0.00 C ATOM 757 C GLU A 48 14.989 10.405 -18.453 1.00 0.00 C ATOM 758 O GLU A 48 15.073 9.331 -19.047 1.00 0.00 O ATOM 759 CB GLU A 48 17.035 11.727 -17.800 1.00 0.00 C ATOM 760 CG GLU A 48 18.402 11.722 -18.487 1.00 0.00 C ATOM 761 CD GLU A 48 19.482 11.165 -17.555 1.00 0.00 C ATOM 762 OE1 GLU A 48 19.647 9.926 -17.555 1.00 0.00 O ATOM 763 OE2 GLU A 48 20.116 11.992 -16.865 1.00 0.00 O ATOM 0 H GLU A 48 15.476 13.571 -18.365 1.00 0.00 H new ATOM 0 HA GLU A 48 16.365 11.355 -19.789 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.904 12.658 -17.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.986 10.916 -17.073 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.355 11.121 -19.395 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.665 12.736 -18.789 1.00 0.00 H new ATOM 770 N LEU A 49 14.132 10.656 -17.474 1.00 0.00 N ATOM 771 CA LEU A 49 13.198 9.641 -17.018 1.00 0.00 C ATOM 772 C LEU A 49 12.297 9.223 -18.182 1.00 0.00 C ATOM 773 O LEU A 49 12.139 8.034 -18.454 1.00 0.00 O ATOM 774 CB LEU A 49 12.429 10.132 -15.790 1.00 0.00 C ATOM 775 CG LEU A 49 12.219 9.106 -14.675 1.00 0.00 C ATOM 776 CD1 LEU A 49 13.386 9.124 -13.686 1.00 0.00 C ATOM 777 CD2 LEU A 49 10.874 9.321 -13.978 1.00 0.00 C ATOM 0 H LEU A 49 14.065 11.548 -16.984 1.00 0.00 H new ATOM 0 HA LEU A 49 13.734 8.749 -16.693 1.00 0.00 H new ATOM 0 HB2 LEU A 49 12.959 10.989 -15.373 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.452 10.489 -16.117 1.00 0.00 H new ATOM 0 HG LEU A 49 12.194 8.114 -15.125 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.211 8.385 -12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 49 14.311 8.885 -14.211 1.00 0.00 H new ATOM 0 HD13 LEU A 49 13.468 10.114 -13.238 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.750 8.578 -13.190 1.00 0.00 H new ATOM 0 HD22 LEU A 49 10.845 10.320 -13.543 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.067 9.218 -14.704 1.00 0.00 H new ATOM 789 N PHE A 50 11.729 10.225 -18.837 1.00 0.00 N ATOM 790 CA PHE A 50 10.848 9.977 -19.965 1.00 0.00 C ATOM 791 C PHE A 50 11.529 9.090 -21.009 1.00 0.00 C ATOM 792 O PHE A 50 10.970 8.078 -21.430 1.00 0.00 O ATOM 793 CB PHE A 50 10.534 11.336 -20.595 1.00 0.00 C ATOM 794 CG PHE A 50 9.427 11.291 -21.651 1.00 0.00 C ATOM 795 CD1 PHE A 50 8.261 10.645 -21.387 1.00 0.00 C ATOM 796 CD2 PHE A 50 9.611 11.899 -22.854 1.00 0.00 C ATOM 797 CE1 PHE A 50 7.234 10.604 -22.367 1.00 0.00 C ATOM 798 CE2 PHE A 50 8.585 11.858 -23.834 1.00 0.00 C ATOM 799 CZ PHE A 50 7.418 11.211 -23.570 1.00 0.00 C ATOM 0 H PHE A 50 11.862 11.210 -18.608 1.00 0.00 H new ATOM 0 HA PHE A 50 9.946 9.467 -19.627 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.243 12.032 -19.808 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.441 11.732 -21.051 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.115 10.163 -20.432 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.538 12.413 -23.063 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.307 10.091 -22.157 1.00 0.00 H new ATOM 0 HE2 PHE A 50 8.731 12.340 -24.789 1.00 0.00 H new ATOM 0 HZ PHE A 50 6.637 11.179 -24.316 1.00 0.00 H new ATOM 809 N GLU A 51 12.728 9.502 -21.397 1.00 0.00 N ATOM 810 CA GLU A 51 13.491 8.757 -22.384 1.00 0.00 C ATOM 811 C GLU A 51 13.814 7.357 -21.859 1.00 0.00 C ATOM 812 O GLU A 51 13.539 6.361 -22.526 1.00 0.00 O ATOM 813 CB GLU A 51 14.769 9.506 -22.768 1.00 0.00 C ATOM 814 CG GLU A 51 15.892 8.530 -23.122 1.00 0.00 C ATOM 815 CD GLU A 51 15.487 7.629 -24.290 1.00 0.00 C ATOM 816 OE1 GLU A 51 14.271 7.581 -24.575 1.00 0.00 O ATOM 817 OE2 GLU A 51 16.403 7.009 -24.873 1.00 0.00 O ATOM 0 H GLU A 51 13.189 10.341 -21.046 1.00 0.00 H new ATOM 0 HA GLU A 51 12.883 8.656 -23.283 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.570 10.160 -23.617 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.083 10.143 -21.941 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.793 9.086 -23.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.134 7.918 -22.253 1.00 0.00 H new ATOM 824 N GLU A 52 14.393 7.325 -20.667 1.00 0.00 N ATOM 825 CA GLU A 52 14.757 6.063 -20.045 1.00 0.00 C ATOM 826 C GLU A 52 13.542 5.135 -19.979 1.00 0.00 C ATOM 827 O GLU A 52 13.595 4.002 -20.455 1.00 0.00 O ATOM 828 CB GLU A 52 15.351 6.289 -18.653 1.00 0.00 C ATOM 829 CG GLU A 52 15.924 4.990 -18.084 1.00 0.00 C ATOM 830 CD GLU A 52 17.296 5.227 -17.450 1.00 0.00 C ATOM 831 OE1 GLU A 52 17.326 5.902 -16.399 1.00 0.00 O ATOM 832 OE2 GLU A 52 18.283 4.728 -18.031 1.00 0.00 O ATOM 0 H GLU A 52 14.619 8.153 -20.116 1.00 0.00 H new ATOM 0 HA GLU A 52 15.522 5.585 -20.657 1.00 0.00 H new ATOM 0 HB2 GLU A 52 16.135 7.044 -18.707 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.582 6.675 -17.984 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.241 4.583 -17.339 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.010 4.248 -18.878 1.00 0.00 H new ATOM 839 N LEU A 53 12.476 5.650 -19.384 1.00 0.00 N ATOM 840 CA LEU A 53 11.250 4.881 -19.249 1.00 0.00 C ATOM 841 C LEU A 53 10.873 4.288 -20.608 1.00 0.00 C ATOM 842 O LEU A 53 10.692 3.077 -20.732 1.00 0.00 O ATOM 843 CB LEU A 53 10.147 5.738 -18.625 1.00 0.00 C ATOM 844 CG LEU A 53 10.422 6.263 -17.214 1.00 0.00 C ATOM 845 CD1 LEU A 53 9.717 7.600 -16.980 1.00 0.00 C ATOM 846 CD2 LEU A 53 10.044 5.223 -16.158 1.00 0.00 C ATOM 0 H LEU A 53 12.436 6.590 -18.990 1.00 0.00 H new ATOM 0 HA LEU A 53 11.398 4.045 -18.566 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.963 6.590 -19.279 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.229 5.151 -18.600 1.00 0.00 H new ATOM 0 HG LEU A 53 11.493 6.443 -17.119 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.929 7.951 -15.970 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.078 8.333 -17.702 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.642 7.470 -17.101 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.250 5.622 -15.165 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.983 4.988 -16.242 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.630 4.317 -16.314 1.00 0.00 H new ATOM 858 N ASP A 54 10.767 5.167 -21.593 1.00 0.00 N ATOM 859 CA ASP A 54 10.416 4.745 -22.938 1.00 0.00 C ATOM 860 C ASP A 54 11.607 4.022 -23.569 1.00 0.00 C ATOM 861 O ASP A 54 12.572 4.657 -23.989 1.00 0.00 O ATOM 862 CB ASP A 54 10.071 5.947 -23.820 1.00 0.00 C ATOM 863 CG ASP A 54 9.709 5.605 -25.266 1.00 0.00 C ATOM 864 OD1 ASP A 54 8.909 4.661 -25.443 1.00 0.00 O ATOM 865 OD2 ASP A 54 10.240 6.295 -26.163 1.00 0.00 O ATOM 0 H ASP A 54 10.918 6.170 -21.487 1.00 0.00 H new ATOM 0 HA ASP A 54 9.549 4.087 -22.869 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.235 6.482 -23.369 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.920 6.630 -23.826 1.00 0.00 H new ATOM 870 N LYS A 55 11.500 2.702 -23.616 1.00 0.00 N ATOM 871 CA LYS A 55 12.556 1.885 -24.188 1.00 0.00 C ATOM 872 C LYS A 55 12.063 1.266 -25.498 1.00 0.00 C ATOM 873 O LYS A 55 12.865 0.839 -26.327 1.00 0.00 O ATOM 874 CB LYS A 55 13.050 0.856 -23.169 1.00 0.00 C ATOM 875 CG LYS A 55 14.552 1.007 -22.921 1.00 0.00 C ATOM 876 CD LYS A 55 14.839 2.197 -22.003 1.00 0.00 C ATOM 877 CE LYS A 55 16.341 2.479 -21.925 1.00 0.00 C ATOM 878 NZ LYS A 55 16.908 1.927 -20.674 1.00 0.00 N ATOM 0 H LYS A 55 10.697 2.178 -23.267 1.00 0.00 H new ATOM 0 HA LYS A 55 13.423 2.499 -24.431 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.509 0.979 -22.231 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.837 -0.150 -23.530 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.944 0.094 -22.472 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.069 1.143 -23.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.318 3.080 -22.373 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.451 1.993 -21.005 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.845 2.038 -22.785 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.518 3.554 -21.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.928 2.127 -20.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.439 2.367 -19.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.756 0.899 -20.648 1.00 0.00 H new ATOM 892 N ASN A 56 10.747 1.237 -25.643 1.00 0.00 N ATOM 893 CA ASN A 56 10.138 0.677 -26.837 1.00 0.00 C ATOM 894 C ASN A 56 10.383 1.618 -28.018 1.00 0.00 C ATOM 895 O ASN A 56 10.451 1.177 -29.165 1.00 0.00 O ATOM 896 CB ASN A 56 8.626 0.522 -26.663 1.00 0.00 C ATOM 897 CG ASN A 56 8.297 -0.235 -25.375 1.00 0.00 C ATOM 898 OD1 ASN A 56 8.655 0.167 -24.280 1.00 0.00 O ATOM 899 ND2 ASN A 56 7.597 -1.350 -25.566 1.00 0.00 N ATOM 0 H ASN A 56 10.085 1.592 -24.953 1.00 0.00 H new ATOM 0 HA ASN A 56 10.583 -0.302 -27.015 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.156 1.505 -26.641 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.211 -0.011 -27.518 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.328 -1.926 -24.768 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.330 -1.629 -26.510 1.00 0.00 H new ATOM 906 N GLY A 57 10.511 2.898 -27.698 1.00 0.00 N ATOM 907 CA GLY A 57 10.748 3.905 -28.719 1.00 0.00 C ATOM 908 C GLY A 57 9.481 4.165 -29.536 1.00 0.00 C ATOM 909 O GLY A 57 9.484 4.015 -30.757 1.00 0.00 O ATOM 0 H GLY A 57 10.455 3.261 -26.746 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.080 4.832 -28.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.550 3.577 -29.380 1.00 0.00 H new ATOM 913 N ASP A 58 8.428 4.550 -28.831 1.00 0.00 N ATOM 914 CA ASP A 58 7.157 4.833 -29.476 1.00 0.00 C ATOM 915 C ASP A 58 6.610 6.163 -28.954 1.00 0.00 C ATOM 916 O ASP A 58 6.813 7.207 -29.572 1.00 0.00 O ATOM 917 CB ASP A 58 6.128 3.744 -29.167 1.00 0.00 C ATOM 918 CG ASP A 58 6.346 3.006 -27.844 1.00 0.00 C ATOM 919 OD1 ASP A 58 6.878 3.651 -26.915 1.00 0.00 O ATOM 920 OD2 ASP A 58 5.975 1.813 -27.793 1.00 0.00 O ATOM 0 H ASP A 58 8.429 4.673 -27.818 1.00 0.00 H new ATOM 0 HA ASP A 58 7.327 4.874 -30.552 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.136 4.195 -29.155 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.137 3.016 -29.978 1.00 0.00 H new ATOM 925 N GLY A 59 5.926 6.081 -27.822 1.00 0.00 N ATOM 926 CA GLY A 59 5.348 7.265 -27.210 1.00 0.00 C ATOM 927 C GLY A 59 4.304 6.885 -26.158 1.00 0.00 C ATOM 928 O GLY A 59 3.245 7.505 -26.076 1.00 0.00 O ATOM 0 H GLY A 59 5.759 5.213 -27.313 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.135 7.861 -26.748 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.887 7.887 -27.977 1.00 0.00 H new ATOM 932 N GLU A 60 4.640 5.867 -25.379 1.00 0.00 N ATOM 933 CA GLU A 60 3.745 5.396 -24.336 1.00 0.00 C ATOM 934 C GLU A 60 4.535 4.666 -23.248 1.00 0.00 C ATOM 935 O GLU A 60 5.180 3.654 -23.517 1.00 0.00 O ATOM 936 CB GLU A 60 2.651 4.496 -24.916 1.00 0.00 C ATOM 937 CG GLU A 60 3.256 3.259 -25.583 1.00 0.00 C ATOM 938 CD GLU A 60 2.305 2.684 -26.635 1.00 0.00 C ATOM 939 OE1 GLU A 60 1.288 2.090 -26.216 1.00 0.00 O ATOM 940 OE2 GLU A 60 2.617 2.851 -27.834 1.00 0.00 O ATOM 0 H GLU A 60 5.520 5.355 -25.449 1.00 0.00 H new ATOM 0 HA GLU A 60 3.257 6.261 -23.886 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.969 4.189 -24.123 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.063 5.055 -25.644 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.205 3.521 -26.050 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.470 2.502 -24.828 1.00 0.00 H new ATOM 947 N VAL A 61 4.460 5.209 -22.041 1.00 0.00 N ATOM 948 CA VAL A 61 5.160 4.623 -20.912 1.00 0.00 C ATOM 949 C VAL A 61 4.228 3.647 -20.190 1.00 0.00 C ATOM 950 O VAL A 61 4.067 3.721 -18.973 1.00 0.00 O ATOM 951 CB VAL A 61 5.694 5.726 -19.996 1.00 0.00 C ATOM 952 CG1 VAL A 61 6.215 5.144 -18.681 1.00 0.00 C ATOM 953 CG2 VAL A 61 6.777 6.546 -20.700 1.00 0.00 C ATOM 0 H VAL A 61 3.925 6.049 -21.821 1.00 0.00 H new ATOM 0 HA VAL A 61 6.025 4.055 -21.254 1.00 0.00 H new ATOM 0 HB VAL A 61 4.866 6.395 -19.760 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.588 5.950 -18.049 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.406 4.625 -18.167 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.022 4.442 -18.888 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.140 7.323 -20.027 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.604 5.893 -20.979 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.360 7.007 -21.595 1.00 0.00 H new ATOM 963 N SER A 62 3.639 2.754 -20.972 1.00 0.00 N ATOM 964 CA SER A 62 2.728 1.764 -20.423 1.00 0.00 C ATOM 965 C SER A 62 3.311 1.171 -19.139 1.00 0.00 C ATOM 966 O SER A 62 4.499 1.329 -18.862 1.00 0.00 O ATOM 967 CB SER A 62 2.442 0.655 -21.438 1.00 0.00 C ATOM 968 OG SER A 62 3.137 0.863 -22.665 1.00 0.00 O ATOM 0 H SER A 62 3.775 2.695 -21.981 1.00 0.00 H new ATOM 0 HA SER A 62 1.785 2.259 -20.191 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.732 -0.307 -21.015 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.370 0.608 -21.632 1.00 0.00 H new ATOM 0 HG SER A 62 3.744 0.111 -22.829 1.00 0.00 H new ATOM 974 N PHE A 63 2.448 0.501 -18.389 1.00 0.00 N ATOM 975 CA PHE A 63 2.863 -0.117 -17.141 1.00 0.00 C ATOM 976 C PHE A 63 4.133 -0.947 -17.336 1.00 0.00 C ATOM 977 O PHE A 63 4.941 -1.076 -16.417 1.00 0.00 O ATOM 978 CB PHE A 63 1.726 -1.041 -16.700 1.00 0.00 C ATOM 979 CG PHE A 63 1.839 -1.519 -15.251 1.00 0.00 C ATOM 980 CD1 PHE A 63 2.118 -0.629 -14.262 1.00 0.00 C ATOM 981 CD2 PHE A 63 1.661 -2.834 -14.953 1.00 0.00 C ATOM 982 CE1 PHE A 63 2.223 -1.072 -12.917 1.00 0.00 C ATOM 983 CE2 PHE A 63 1.766 -3.277 -13.608 1.00 0.00 C ATOM 984 CZ PHE A 63 2.045 -2.387 -12.618 1.00 0.00 C ATOM 0 H PHE A 63 1.463 0.373 -18.622 1.00 0.00 H new ATOM 0 HA PHE A 63 3.074 0.651 -16.397 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.778 -0.519 -16.827 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.702 -1.910 -17.358 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.260 0.415 -14.499 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.440 -3.541 -15.739 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.444 -0.365 -12.131 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.624 -4.321 -13.371 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.125 -2.724 -11.595 1.00 0.00 H new ATOM 994 N GLU A 64 4.271 -1.487 -18.538 1.00 0.00 N ATOM 995 CA GLU A 64 5.429 -2.301 -18.864 1.00 0.00 C ATOM 996 C GLU A 64 6.718 -1.553 -18.517 1.00 0.00 C ATOM 997 O GLU A 64 7.546 -2.055 -17.759 1.00 0.00 O ATOM 998 CB GLU A 64 5.413 -2.711 -20.338 1.00 0.00 C ATOM 999 CG GLU A 64 4.840 -1.593 -21.212 1.00 0.00 C ATOM 1000 CD GLU A 64 5.745 -1.318 -22.415 1.00 0.00 C ATOM 1001 OE1 GLU A 64 6.953 -1.619 -22.297 1.00 0.00 O ATOM 1002 OE2 GLU A 64 5.209 -0.814 -23.425 1.00 0.00 O ATOM 0 H GLU A 64 3.600 -1.377 -19.298 1.00 0.00 H new ATOM 0 HA GLU A 64 5.389 -3.212 -18.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.425 -2.949 -20.664 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.817 -3.615 -20.461 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.844 -1.871 -21.558 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.730 -0.684 -20.620 1.00 0.00 H new ATOM 1009 N GLU A 65 6.847 -0.364 -19.088 1.00 0.00 N ATOM 1010 CA GLU A 65 8.021 0.458 -18.848 1.00 0.00 C ATOM 1011 C GLU A 65 8.063 0.910 -17.388 1.00 0.00 C ATOM 1012 O GLU A 65 9.139 1.092 -16.821 1.00 0.00 O ATOM 1013 CB GLU A 65 8.052 1.659 -19.796 1.00 0.00 C ATOM 1014 CG GLU A 65 8.046 1.205 -21.257 1.00 0.00 C ATOM 1015 CD GLU A 65 7.032 2.007 -22.075 1.00 0.00 C ATOM 1016 OE1 GLU A 65 5.837 1.646 -22.010 1.00 0.00 O ATOM 1017 OE2 GLU A 65 7.475 2.962 -22.748 1.00 0.00 O ATOM 0 H GLU A 65 6.158 0.050 -19.716 1.00 0.00 H new ATOM 0 HA GLU A 65 8.908 -0.143 -19.047 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.190 2.298 -19.607 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.942 2.258 -19.601 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.041 1.327 -21.684 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.804 0.144 -21.311 1.00 0.00 H new ATOM 1024 N PHE A 66 6.878 1.079 -16.820 1.00 0.00 N ATOM 1025 CA PHE A 66 6.765 1.507 -15.436 1.00 0.00 C ATOM 1026 C PHE A 66 7.468 0.523 -14.498 1.00 0.00 C ATOM 1027 O PHE A 66 8.093 0.930 -13.520 1.00 0.00 O ATOM 1028 CB PHE A 66 5.274 1.538 -15.097 1.00 0.00 C ATOM 1029 CG PHE A 66 4.932 2.386 -13.870 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.299 3.695 -13.825 1.00 0.00 C ATOM 1031 CD2 PHE A 66 4.260 1.832 -12.826 1.00 0.00 C ATOM 1032 CE1 PHE A 66 4.982 4.482 -12.686 1.00 0.00 C ATOM 1033 CE2 PHE A 66 3.943 2.619 -11.687 1.00 0.00 C ATOM 1034 CZ PHE A 66 4.311 3.928 -11.641 1.00 0.00 C ATOM 0 H PHE A 66 5.987 0.927 -17.293 1.00 0.00 H new ATOM 0 HA PHE A 66 7.231 2.484 -15.310 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.724 1.923 -15.956 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.929 0.518 -14.928 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.831 4.136 -14.655 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.967 0.793 -12.863 1.00 0.00 H new ATOM 0 HE1 PHE A 66 5.274 5.521 -12.650 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.410 2.178 -10.858 1.00 0.00 H new ATOM 0 HZ PHE A 66 4.070 4.527 -10.775 1.00 0.00 H new ATOM 1044 N GLN A 67 7.343 -0.754 -14.831 1.00 0.00 N ATOM 1045 CA GLN A 67 7.959 -1.799 -14.031 1.00 0.00 C ATOM 1046 C GLN A 67 9.477 -1.610 -13.988 1.00 0.00 C ATOM 1047 O GLN A 67 10.157 -2.209 -13.156 1.00 0.00 O ATOM 1048 CB GLN A 67 7.594 -3.185 -14.566 1.00 0.00 C ATOM 1049 CG GLN A 67 6.078 -3.391 -14.567 1.00 0.00 C ATOM 1050 CD GLN A 67 5.723 -4.847 -14.259 1.00 0.00 C ATOM 1051 OE1 GLN A 67 6.542 -5.746 -14.350 1.00 0.00 O ATOM 1052 NE2 GLN A 67 4.458 -5.029 -13.890 1.00 0.00 N ATOM 0 H GLN A 67 6.825 -1.088 -15.643 1.00 0.00 H new ATOM 0 HA GLN A 67 7.575 -1.725 -13.014 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.981 -3.301 -15.578 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.068 -3.952 -13.953 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.618 -2.736 -13.827 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.670 -3.111 -15.538 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.823 -4.232 -13.834 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.123 -5.965 -13.663 1.00 0.00 H new ATOM 1061 N VAL A 68 9.963 -0.775 -14.895 1.00 0.00 N ATOM 1062 CA VAL A 68 11.388 -0.500 -14.971 1.00 0.00 C ATOM 1063 C VAL A 68 11.780 0.450 -13.837 1.00 0.00 C ATOM 1064 O VAL A 68 12.847 0.305 -13.243 1.00 0.00 O ATOM 1065 CB VAL A 68 11.742 0.044 -16.356 1.00 0.00 C ATOM 1066 CG1 VAL A 68 13.257 0.195 -16.514 1.00 0.00 C ATOM 1067 CG2 VAL A 68 11.161 -0.843 -17.459 1.00 0.00 C ATOM 0 H VAL A 68 9.396 -0.280 -15.583 1.00 0.00 H new ATOM 0 HA VAL A 68 11.962 -1.417 -14.840 1.00 0.00 H new ATOM 0 HB VAL A 68 11.294 1.033 -16.452 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.482 0.583 -17.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.634 0.886 -15.760 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.735 -0.777 -16.387 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.428 -0.434 -18.433 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.565 -1.851 -17.366 1.00 0.00 H new ATOM 0 HG23 VAL A 68 10.076 -0.877 -17.364 1.00 0.00 H new ATOM 1077 N LEU A 69 10.896 1.400 -13.571 1.00 0.00 N ATOM 1078 CA LEU A 69 11.137 2.373 -12.519 1.00 0.00 C ATOM 1079 C LEU A 69 10.949 1.702 -11.157 1.00 0.00 C ATOM 1080 O LEU A 69 11.620 2.055 -10.189 1.00 0.00 O ATOM 1081 CB LEU A 69 10.259 3.610 -12.722 1.00 0.00 C ATOM 1082 CG LEU A 69 10.890 4.950 -12.340 1.00 0.00 C ATOM 1083 CD1 LEU A 69 12.190 5.183 -13.112 1.00 0.00 C ATOM 1084 CD2 LEU A 69 9.897 6.098 -12.531 1.00 0.00 C ATOM 0 H LEU A 69 10.012 1.517 -14.066 1.00 0.00 H new ATOM 0 HA LEU A 69 12.166 2.731 -12.559 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.966 3.655 -13.771 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.346 3.482 -12.141 1.00 0.00 H new ATOM 0 HG LEU A 69 11.145 4.918 -11.281 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.618 6.142 -12.822 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.897 4.386 -12.883 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.982 5.187 -14.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.371 7.039 -12.252 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.589 6.142 -13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.023 5.932 -11.901 1.00 0.00 H new ATOM 1096 N VAL A 70 10.032 0.746 -11.125 1.00 0.00 N ATOM 1097 CA VAL A 70 9.747 0.022 -9.898 1.00 0.00 C ATOM 1098 C VAL A 70 11.056 -0.507 -9.308 1.00 0.00 C ATOM 1099 O VAL A 70 11.143 -0.757 -8.107 1.00 0.00 O ATOM 1100 CB VAL A 70 8.723 -1.082 -10.167 1.00 0.00 C ATOM 1101 CG1 VAL A 70 8.883 -2.233 -9.172 1.00 0.00 C ATOM 1102 CG2 VAL A 70 7.297 -0.526 -10.138 1.00 0.00 C ATOM 0 H VAL A 70 9.477 0.456 -11.930 1.00 0.00 H new ATOM 0 HA VAL A 70 9.301 0.686 -9.157 1.00 0.00 H new ATOM 0 HB VAL A 70 8.909 -1.475 -11.166 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.143 -3.004 -9.386 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.884 -2.656 -9.262 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.737 -1.861 -8.158 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.588 -1.331 -10.332 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.095 -0.093 -9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.191 0.243 -10.903 1.00 0.00 H new ATOM 1112 N LYS A 71 12.041 -0.663 -10.180 1.00 0.00 N ATOM 1113 CA LYS A 71 13.341 -1.158 -9.760 1.00 0.00 C ATOM 1114 C LYS A 71 14.040 -0.091 -8.916 1.00 0.00 C ATOM 1115 O LYS A 71 14.550 -0.385 -7.836 1.00 0.00 O ATOM 1116 CB LYS A 71 14.156 -1.616 -10.971 1.00 0.00 C ATOM 1117 CG LYS A 71 14.833 -2.961 -10.700 1.00 0.00 C ATOM 1118 CD LYS A 71 16.334 -2.888 -10.989 1.00 0.00 C ATOM 1119 CE LYS A 71 17.003 -4.244 -10.759 1.00 0.00 C ATOM 1120 NZ LYS A 71 18.473 -4.125 -10.890 1.00 0.00 N ATOM 0 H LYS A 71 11.965 -0.455 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 71 13.228 -2.040 -9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.505 -1.702 -11.841 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.911 -0.867 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.673 -3.250 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.377 -3.733 -11.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.495 -2.569 -12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 71 16.795 -2.137 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.749 -4.618 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.625 -4.970 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.912 -5.054 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.710 -3.789 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.831 -3.448 -10.186 1.00 0.00 H new ATOM 1134 N LYS A 72 14.041 1.126 -9.440 1.00 0.00 N ATOM 1135 CA LYS A 72 14.669 2.238 -8.748 1.00 0.00 C ATOM 1136 C LYS A 72 13.844 2.594 -7.510 1.00 0.00 C ATOM 1137 O LYS A 72 14.397 2.970 -6.478 1.00 0.00 O ATOM 1138 CB LYS A 72 14.882 3.413 -9.705 1.00 0.00 C ATOM 1139 CG LYS A 72 15.733 2.996 -10.906 1.00 0.00 C ATOM 1140 CD LYS A 72 14.857 2.711 -12.127 1.00 0.00 C ATOM 1141 CE LYS A 72 15.661 2.841 -13.422 1.00 0.00 C ATOM 1142 NZ LYS A 72 15.026 3.821 -14.330 1.00 0.00 N ATOM 0 H LYS A 72 13.617 1.366 -10.336 1.00 0.00 H new ATOM 0 HA LYS A 72 15.663 1.958 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.917 3.785 -10.050 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.369 4.233 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.446 3.786 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.312 2.108 -10.655 1.00 0.00 H new ATOM 0 HD2 LYS A 72 14.440 1.707 -12.053 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.016 3.405 -12.146 1.00 0.00 H new ATOM 0 HE2 LYS A 72 16.680 3.154 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.728 1.871 -13.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.584 3.897 -15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.062 3.506 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 14.984 4.750 -13.864 1.00 0.00 H new ATOM 1156 N ILE A 73 12.533 2.464 -7.654 1.00 0.00 N ATOM 1157 CA ILE A 73 11.626 2.768 -6.561 1.00 0.00 C ATOM 1158 C ILE A 73 11.688 1.643 -5.525 1.00 0.00 C ATOM 1159 O ILE A 73 11.195 1.795 -4.409 1.00 0.00 O ATOM 1160 CB ILE A 73 10.217 3.038 -7.092 1.00 0.00 C ATOM 1161 CG1 ILE A 73 10.152 4.385 -7.815 1.00 0.00 C ATOM 1162 CG2 ILE A 73 9.180 2.938 -5.972 1.00 0.00 C ATOM 1163 CD1 ILE A 73 8.874 4.499 -8.649 1.00 0.00 C ATOM 0 H ILE A 73 12.078 2.152 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 73 11.932 3.685 -6.056 1.00 0.00 H new ATOM 0 HB ILE A 73 9.975 2.268 -7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 73 10.188 5.195 -7.086 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.023 4.498 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.187 3.134 -6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.205 1.937 -5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.408 3.671 -5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.853 5.466 -9.152 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.852 3.702 -9.393 1.00 0.00 H new ATOM 0 HD13 ILE A 73 8.005 4.410 -7.997 1.00 0.00 H new ATOM 1175 N SER A 74 12.299 0.540 -5.933 1.00 0.00 N ATOM 1176 CA SER A 74 12.432 -0.610 -5.054 1.00 0.00 C ATOM 1177 C SER A 74 13.702 -0.480 -4.211 1.00 0.00 C ATOM 1178 O SER A 74 13.701 -0.810 -3.026 1.00 0.00 O ATOM 1179 CB SER A 74 12.456 -1.914 -5.854 1.00 0.00 C ATOM 1180 OG SER A 74 12.852 -3.024 -5.053 1.00 0.00 O ATOM 0 H SER A 74 12.707 0.418 -6.860 1.00 0.00 H new ATOM 0 HA SER A 74 11.566 -0.637 -4.392 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.466 -2.102 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.142 -1.811 -6.695 1.00 0.00 H new ATOM 0 HG SER A 74 12.853 -3.838 -5.599 1.00 0.00 H new ATOM 1186 N GLN A 75 14.755 0.001 -4.855 1.00 0.00 N ATOM 1187 CA GLN A 75 16.029 0.179 -4.179 1.00 0.00 C ATOM 1188 C GLN A 75 15.938 1.323 -3.168 1.00 0.00 C ATOM 1189 O GLN A 75 14.843 1.753 -2.808 1.00 0.00 O ATOM 1190 CB GLN A 75 17.154 0.425 -5.186 1.00 0.00 C ATOM 1191 CG GLN A 75 18.298 -0.572 -4.985 1.00 0.00 C ATOM 1192 CD GLN A 75 18.091 -1.824 -5.839 1.00 0.00 C ATOM 1193 OE1 GLN A 75 18.025 -2.938 -5.348 1.00 0.00 O ATOM 1194 NE2 GLN A 75 17.993 -1.579 -7.143 1.00 0.00 N ATOM 0 H GLN A 75 14.752 0.273 -5.838 1.00 0.00 H new ATOM 0 HA GLN A 75 16.263 -0.739 -3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.765 0.337 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.530 1.442 -5.076 1.00 0.00 H new ATOM 0 HG2 GLN A 75 19.246 -0.101 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.361 -0.851 -3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 75 18.057 -0.621 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.854 -2.349 -7.798 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 6.789 2.557 -24.926 1.00 0.00 LA