USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -137:sc= -0.185 (180deg=-2.06!) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.0793 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -130:sc= -0.714 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.732 K(o=-0.73,f=-1.6!) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0952 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0944) USER MOD Single : A 51 ASN : amide:sc= -3.15! C(o=-3.1!,f=-8.7!) USER MOD Single : A 52 TYR OH : rot -30:sc= 0.776 USER MOD Single : B 1 VAL N :NH3+ 175:sc= 0 (180deg=-0.0523) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.089 2.800 3.927 1.00 0.00 N ATOM 2 CA MET A 1 7.157 1.433 3.494 1.00 0.00 C ATOM 3 C MET A 1 7.221 1.470 1.971 1.00 0.00 C ATOM 4 O MET A 1 6.529 2.255 1.331 1.00 0.00 O ATOM 5 CB MET A 1 5.843 0.768 3.912 1.00 0.00 C ATOM 6 CG MET A 1 5.745 -0.685 3.457 1.00 0.00 C ATOM 7 SD MET A 1 4.102 -1.102 2.852 1.00 0.00 S ATOM 8 CE MET A 1 3.405 -1.807 4.347 1.00 0.00 C ATOM 0 H1 MET A 1 6.421 2.880 4.720 1.00 0.00 H new ATOM 0 H2 MET A 1 8.031 3.114 4.235 1.00 0.00 H new ATOM 0 H3 MET A 1 6.765 3.398 3.140 1.00 0.00 H new ATOM 0 HA MET A 1 8.009 0.898 3.913 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.748 0.811 4.997 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.008 1.331 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.477 -0.867 2.670 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.001 -1.342 4.288 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.848 -2.710 4.098 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.208 -2.055 5.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.735 -1.084 4.812 1.00 0.00 H new ATOM 18 N GLU A 2 8.106 0.587 1.454 1.00 0.00 N ATOM 19 CA GLU A 2 8.226 0.517 -0.004 1.00 0.00 C ATOM 20 C GLU A 2 7.369 -0.689 -0.374 1.00 0.00 C ATOM 21 O GLU A 2 7.876 -1.793 -0.360 1.00 0.00 O ATOM 22 CB GLU A 2 9.698 0.336 -0.398 1.00 0.00 C ATOM 23 CG GLU A 2 10.540 1.563 -0.008 1.00 0.00 C ATOM 24 CD GLU A 2 11.993 1.413 -0.496 1.00 0.00 C ATOM 25 OE1 GLU A 2 12.640 0.432 -0.127 1.00 0.00 O ATOM 26 OE2 GLU A 2 12.463 2.273 -1.242 1.00 0.00 O ATOM 0 H GLU A 2 8.705 -0.043 1.987 1.00 0.00 H new ATOM 0 HA GLU A 2 7.896 1.417 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.100 -0.552 0.089 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.770 0.170 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.099 2.462 -0.438 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.527 1.688 1.075 1.00 0.00 H new ATOM 33 N ALA A 3 6.111 -0.388 -0.774 1.00 0.00 N ATOM 34 CA ALA A 3 4.988 -1.303 -1.044 1.00 0.00 C ATOM 35 C ALA A 3 4.863 -1.767 -2.486 1.00 0.00 C ATOM 36 O ALA A 3 5.312 -1.131 -3.431 1.00 0.00 O ATOM 37 CB ALA A 3 3.777 -0.419 -0.772 1.00 0.00 C ATOM 0 H ALA A 3 5.838 0.583 -0.927 1.00 0.00 H new ATOM 0 HA ALA A 3 5.104 -2.210 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.864 -0.991 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.804 -0.073 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.796 0.440 -1.443 1.00 0.00 H new ATOM 43 N ILE A 4 4.219 -2.963 -2.540 1.00 0.00 N ATOM 44 CA ILE A 4 4.014 -3.655 -3.793 1.00 0.00 C ATOM 45 C ILE A 4 2.588 -4.186 -3.819 1.00 0.00 C ATOM 46 O ILE A 4 2.203 -5.008 -2.994 1.00 0.00 O ATOM 47 CB ILE A 4 4.995 -4.854 -3.833 1.00 0.00 C ATOM 48 CG1 ILE A 4 6.465 -4.399 -3.932 1.00 0.00 C ATOM 49 CG2 ILE A 4 4.677 -5.883 -4.939 1.00 0.00 C ATOM 50 CD1 ILE A 4 6.814 -3.665 -5.232 1.00 0.00 C ATOM 0 H ILE A 4 3.844 -3.446 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 4 4.181 -2.992 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 4 4.851 -5.362 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.688 -3.745 -3.089 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.110 -5.272 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.406 -6.692 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.677 -6.288 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.722 -5.396 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.866 -3.381 -5.218 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.626 -4.321 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.198 -2.770 -5.321 1.00 0.00 H new ATOM 62 N ALA A 5 1.835 -3.672 -4.812 1.00 0.00 N ATOM 63 CA ALA A 5 0.473 -4.146 -4.985 1.00 0.00 C ATOM 64 C ALA A 5 0.585 -5.619 -5.418 1.00 0.00 C ATOM 65 O ALA A 5 1.308 -5.990 -6.333 1.00 0.00 O ATOM 66 CB ALA A 5 -0.242 -3.330 -6.057 1.00 0.00 C ATOM 0 H ALA A 5 2.141 -2.959 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.103 -4.044 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.261 -3.698 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.266 -2.281 -5.760 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.290 -3.427 -7.003 1.00 0.00 H new ATOM 72 N LYS A 6 -0.216 -6.402 -4.704 1.00 0.00 N ATOM 73 CA LYS A 6 -0.238 -7.842 -4.868 1.00 0.00 C ATOM 74 C LYS A 6 -1.176 -8.284 -5.969 1.00 0.00 C ATOM 75 O LYS A 6 -0.917 -9.218 -6.713 1.00 0.00 O ATOM 76 CB LYS A 6 -0.754 -8.428 -3.567 1.00 0.00 C ATOM 77 CG LYS A 6 0.049 -9.640 -3.185 1.00 0.00 C ATOM 78 CD LYS A 6 -0.097 -9.866 -1.704 1.00 0.00 C ATOM 79 CE LYS A 6 0.722 -11.036 -1.192 1.00 0.00 C ATOM 80 NZ LYS A 6 0.717 -11.126 0.266 1.00 0.00 N ATOM 0 H LYS A 6 -0.865 -6.053 -3.998 1.00 0.00 H new ATOM 0 HA LYS A 6 0.767 -8.177 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.696 -7.681 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.805 -8.698 -3.674 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.299 -10.513 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.098 -9.496 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.203 -8.962 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.148 -10.038 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.329 -11.962 -1.611 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.749 -10.938 -1.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.290 -11.941 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.117 -10.255 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.259 -11.247 0.603 1.00 0.00 H new ATOM 94 N TYR A 7 -2.272 -7.523 -5.992 1.00 0.00 N ATOM 95 CA TYR A 7 -3.341 -7.738 -6.943 1.00 0.00 C ATOM 96 C TYR A 7 -3.818 -6.379 -7.446 1.00 0.00 C ATOM 97 O TYR A 7 -3.415 -5.316 -6.991 1.00 0.00 O ATOM 98 CB TYR A 7 -4.489 -8.476 -6.242 1.00 0.00 C ATOM 99 CG TYR A 7 -4.134 -9.898 -5.910 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.143 -10.886 -6.891 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.826 -10.242 -4.599 1.00 0.00 C ATOM 102 CE1 TYR A 7 -3.864 -12.208 -6.572 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.529 -11.556 -4.267 1.00 0.00 C ATOM 104 CZ TYR A 7 -3.572 -12.559 -5.249 1.00 0.00 C ATOM 105 OH TYR A 7 -3.330 -13.887 -4.912 1.00 0.00 O ATOM 0 H TYR A 7 -2.434 -6.746 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.995 -8.337 -7.785 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.753 -7.947 -5.327 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.371 -8.464 -6.883 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -4.370 -10.621 -7.913 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.818 -9.481 -3.833 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.872 -12.964 -7.343 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.264 -11.808 -3.251 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.143 -13.952 -3.952 1.00 0.00 H new ATOM 115 N ASP A 8 -4.691 -6.539 -8.449 1.00 0.00 N ATOM 116 CA ASP A 8 -5.334 -5.427 -9.121 1.00 0.00 C ATOM 117 C ASP A 8 -6.547 -5.021 -8.267 1.00 0.00 C ATOM 118 O ASP A 8 -7.347 -5.847 -7.845 1.00 0.00 O ATOM 119 CB ASP A 8 -5.682 -5.823 -10.569 1.00 0.00 C ATOM 120 CG ASP A 8 -6.437 -7.166 -10.686 1.00 0.00 C ATOM 121 OD1 ASP A 8 -5.822 -8.217 -10.490 1.00 0.00 O ATOM 122 OD2 ASP A 8 -7.630 -7.144 -10.985 1.00 0.00 O ATOM 0 H ASP A 8 -4.965 -7.452 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.682 -4.559 -9.211 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.290 -5.036 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.762 -5.883 -11.150 1.00 0.00 H new ATOM 127 N PHE A 9 -6.593 -3.695 -8.023 1.00 0.00 N ATOM 128 CA PHE A 9 -7.646 -3.114 -7.197 1.00 0.00 C ATOM 129 C PHE A 9 -8.190 -1.814 -7.794 1.00 0.00 C ATOM 130 O PHE A 9 -7.517 -0.998 -8.410 1.00 0.00 O ATOM 131 CB PHE A 9 -7.101 -2.824 -5.786 1.00 0.00 C ATOM 132 CG PHE A 9 -8.190 -2.600 -4.763 1.00 0.00 C ATOM 133 CD1 PHE A 9 -9.086 -3.624 -4.501 1.00 0.00 C ATOM 134 CD2 PHE A 9 -8.336 -1.400 -4.068 1.00 0.00 C ATOM 135 CE1 PHE A 9 -10.106 -3.468 -3.581 1.00 0.00 C ATOM 136 CE2 PHE A 9 -9.360 -1.243 -3.134 1.00 0.00 C ATOM 137 CZ PHE A 9 -10.251 -2.281 -2.889 1.00 0.00 C ATOM 0 H PHE A 9 -5.918 -3.022 -8.386 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.460 -3.837 -7.152 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -6.477 -3.658 -5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.461 -1.943 -5.825 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.986 -4.563 -5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -7.651 -0.586 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.795 -4.280 -3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.461 -0.310 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 9 -11.046 -2.161 -2.168 1.00 0.00 H new ATOM 147 N LYS A 10 -9.486 -1.703 -7.509 1.00 0.00 N ATOM 148 CA LYS A 10 -10.300 -0.580 -7.898 1.00 0.00 C ATOM 149 C LYS A 10 -11.002 -0.098 -6.619 1.00 0.00 C ATOM 150 O LYS A 10 -11.771 -0.849 -6.033 1.00 0.00 O ATOM 151 CB LYS A 10 -11.300 -1.078 -8.950 1.00 0.00 C ATOM 152 CG LYS A 10 -12.334 -0.016 -9.332 1.00 0.00 C ATOM 153 CD LYS A 10 -11.780 1.027 -10.310 1.00 0.00 C ATOM 154 CE LYS A 10 -12.639 2.298 -10.392 1.00 0.00 C ATOM 155 NZ LYS A 10 -12.234 3.165 -11.495 1.00 0.00 N ATOM 0 H LYS A 10 -10.000 -2.414 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.734 0.244 -8.332 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.757 -1.388 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.815 -1.959 -8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.200 -0.503 -9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.682 0.487 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.769 1.299 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.706 0.582 -11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.686 2.020 -10.516 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.564 2.847 -9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.840 4.010 -11.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.243 3.452 -11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.330 2.651 -12.394 1.00 0.00 H new ATOM 169 N ALA A 11 -10.695 1.162 -6.212 1.00 0.00 N ATOM 170 CA ALA A 11 -11.347 1.695 -4.999 1.00 0.00 C ATOM 171 C ALA A 11 -12.878 1.577 -5.041 1.00 0.00 C ATOM 172 O ALA A 11 -13.526 1.562 -6.083 1.00 0.00 O ATOM 173 CB ALA A 11 -11.035 3.160 -4.693 1.00 0.00 C ATOM 0 H ALA A 11 -10.040 1.791 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.923 1.066 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.558 3.461 -3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.961 3.281 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.363 3.783 -5.525 1.00 0.00 H new ATOM 179 N THR A 12 -13.375 1.541 -3.796 1.00 0.00 N ATOM 180 CA THR A 12 -14.788 1.436 -3.496 1.00 0.00 C ATOM 181 C THR A 12 -15.379 2.783 -3.039 1.00 0.00 C ATOM 182 O THR A 12 -16.589 2.979 -3.018 1.00 0.00 O ATOM 183 CB THR A 12 -14.872 0.444 -2.313 1.00 0.00 C ATOM 184 OG1 THR A 12 -14.306 0.946 -1.060 1.00 0.00 O ATOM 185 CG2 THR A 12 -14.359 -0.955 -2.755 1.00 0.00 C ATOM 0 H THR A 12 -12.787 1.586 -2.964 1.00 0.00 H new ATOM 0 HA THR A 12 -15.344 1.120 -4.379 1.00 0.00 H new ATOM 0 HB THR A 12 -15.923 0.329 -2.049 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.689 0.280 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.422 -1.647 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 12 -14.972 -1.325 -3.577 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.323 -0.876 -3.083 1.00 0.00 H new ATOM 193 N ALA A 13 -14.441 3.686 -2.678 1.00 0.00 N ATOM 194 CA ALA A 13 -14.813 5.008 -2.196 1.00 0.00 C ATOM 195 C ALA A 13 -13.718 6.037 -2.515 1.00 0.00 C ATOM 196 O ALA A 13 -12.645 5.727 -3.013 1.00 0.00 O ATOM 197 CB ALA A 13 -15.087 4.893 -0.694 1.00 0.00 C ATOM 0 H ALA A 13 -13.436 3.514 -2.715 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.712 5.365 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.369 5.869 -0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.899 4.185 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.189 4.543 -0.186 1.00 0.00 H new ATOM 203 N ASP A 14 -14.108 7.285 -2.193 1.00 0.00 N ATOM 204 CA ASP A 14 -13.314 8.487 -2.411 1.00 0.00 C ATOM 205 C ASP A 14 -12.068 8.583 -1.500 1.00 0.00 C ATOM 206 O ASP A 14 -11.068 9.197 -1.856 1.00 0.00 O ATOM 207 CB ASP A 14 -14.306 9.641 -2.206 1.00 0.00 C ATOM 208 CG ASP A 14 -13.763 11.007 -2.664 1.00 0.00 C ATOM 209 OD1 ASP A 14 -13.332 11.113 -3.812 1.00 0.00 O ATOM 210 OD2 ASP A 14 -13.784 11.951 -1.873 1.00 0.00 O ATOM 0 H ASP A 14 -15.012 7.479 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.874 8.500 -3.408 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.224 9.422 -2.752 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.570 9.699 -1.150 1.00 0.00 H new ATOM 215 N ASP A 15 -12.180 7.928 -0.323 1.00 0.00 N ATOM 216 CA ASP A 15 -11.071 7.934 0.636 1.00 0.00 C ATOM 217 C ASP A 15 -9.956 6.946 0.218 1.00 0.00 C ATOM 218 O ASP A 15 -8.805 7.084 0.610 1.00 0.00 O ATOM 219 CB ASP A 15 -11.606 7.644 2.055 1.00 0.00 C ATOM 220 CG ASP A 15 -12.050 6.185 2.286 1.00 0.00 C ATOM 221 OD1 ASP A 15 -12.684 5.608 1.403 1.00 0.00 O ATOM 222 OD2 ASP A 15 -11.753 5.642 3.349 1.00 0.00 O ATOM 0 H ASP A 15 -13.004 7.405 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.615 8.924 0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.831 7.894 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.451 8.303 2.253 1.00 0.00 H new ATOM 227 N GLU A 16 -10.387 5.975 -0.616 1.00 0.00 N ATOM 228 CA GLU A 16 -9.548 4.911 -1.156 1.00 0.00 C ATOM 229 C GLU A 16 -9.122 5.263 -2.592 1.00 0.00 C ATOM 230 O GLU A 16 -9.743 6.049 -3.297 1.00 0.00 O ATOM 231 CB GLU A 16 -10.397 3.623 -1.278 1.00 0.00 C ATOM 232 CG GLU A 16 -10.520 2.802 0.008 1.00 0.00 C ATOM 233 CD GLU A 16 -11.339 1.503 -0.187 1.00 0.00 C ATOM 234 OE1 GLU A 16 -11.360 0.958 -1.293 1.00 0.00 O ATOM 235 OE2 GLU A 16 -11.960 1.047 0.772 1.00 0.00 O ATOM 0 H GLU A 16 -11.355 5.918 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.685 4.783 -0.502 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.398 3.896 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.962 2.992 -2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.523 2.547 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.991 3.411 0.779 1.00 0.00 H new ATOM 242 N LEU A 17 -8.017 4.589 -2.969 1.00 0.00 N ATOM 243 CA LEU A 17 -7.500 4.744 -4.335 1.00 0.00 C ATOM 244 C LEU A 17 -7.117 3.389 -4.922 1.00 0.00 C ATOM 245 O LEU A 17 -6.893 2.388 -4.251 1.00 0.00 O ATOM 246 CB LEU A 17 -6.443 5.849 -4.500 1.00 0.00 C ATOM 247 CG LEU A 17 -5.103 5.670 -3.768 1.00 0.00 C ATOM 248 CD1 LEU A 17 -4.146 4.694 -4.459 1.00 0.00 C ATOM 249 CD2 LEU A 17 -4.374 7.010 -3.726 1.00 0.00 C ATOM 0 H LEU A 17 -7.486 3.957 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.317 5.128 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.232 5.956 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.885 6.788 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.356 5.279 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.223 4.621 -3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.613 3.711 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.920 5.055 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.422 6.890 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.192 7.357 -4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.986 7.741 -3.197 1.00 0.00 H new ATOM 261 N SER A 18 -7.089 3.478 -6.257 1.00 0.00 N ATOM 262 CA SER A 18 -6.812 2.353 -7.115 1.00 0.00 C ATOM 263 C SER A 18 -5.305 2.161 -7.348 1.00 0.00 C ATOM 264 O SER A 18 -4.476 3.053 -7.207 1.00 0.00 O ATOM 265 CB SER A 18 -7.471 2.708 -8.478 1.00 0.00 C ATOM 266 OG SER A 18 -8.919 3.041 -8.563 1.00 0.00 O ATOM 0 H SER A 18 -7.261 4.347 -6.763 1.00 0.00 H new ATOM 0 HA SER A 18 -7.191 1.435 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.923 3.557 -8.887 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.297 1.865 -9.147 1.00 0.00 H new ATOM 0 HG SER A 18 -9.155 3.238 -9.493 1.00 0.00 H new ATOM 272 N PHE A 19 -5.076 0.902 -7.754 1.00 0.00 N ATOM 273 CA PHE A 19 -3.763 0.389 -8.115 1.00 0.00 C ATOM 274 C PHE A 19 -3.975 -0.853 -8.959 1.00 0.00 C ATOM 275 O PHE A 19 -5.035 -1.455 -8.977 1.00 0.00 O ATOM 276 CB PHE A 19 -2.860 0.067 -6.914 1.00 0.00 C ATOM 277 CG PHE A 19 -3.492 -0.771 -5.834 1.00 0.00 C ATOM 278 CD1 PHE A 19 -3.428 -2.158 -5.877 1.00 0.00 C ATOM 279 CD2 PHE A 19 -4.113 -0.157 -4.751 1.00 0.00 C ATOM 280 CE1 PHE A 19 -3.945 -2.919 -4.840 1.00 0.00 C ATOM 281 CE2 PHE A 19 -4.641 -0.919 -3.718 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.553 -2.302 -3.758 1.00 0.00 C ATOM 0 H PHE A 19 -5.818 0.207 -7.839 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.237 1.171 -8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.972 -0.450 -7.278 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.524 1.005 -6.472 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.972 -2.647 -6.725 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.185 0.920 -4.714 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -3.874 -3.996 -4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.121 -0.434 -2.881 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.956 -2.895 -2.951 1.00 0.00 H new ATOM 292 N LYS A 20 -2.893 -1.176 -9.670 1.00 0.00 N ATOM 293 CA LYS A 20 -2.867 -2.333 -10.538 1.00 0.00 C ATOM 294 C LYS A 20 -1.749 -3.224 -10.006 1.00 0.00 C ATOM 295 O LYS A 20 -0.734 -2.733 -9.536 1.00 0.00 O ATOM 296 CB LYS A 20 -2.574 -1.892 -11.984 1.00 0.00 C ATOM 297 CG LYS A 20 -3.447 -0.714 -12.458 1.00 0.00 C ATOM 298 CD LYS A 20 -2.770 0.652 -12.245 1.00 0.00 C ATOM 299 CE LYS A 20 -3.735 1.837 -12.328 1.00 0.00 C ATOM 300 NZ LYS A 20 -4.265 2.039 -13.672 1.00 0.00 N ATOM 0 H LYS A 20 -2.023 -0.643 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.820 -2.862 -10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.524 -1.610 -12.063 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.728 -2.740 -12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.676 -0.840 -13.516 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.396 -0.732 -11.922 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.284 0.658 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.987 0.780 -12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.562 1.676 -11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.221 2.742 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.912 2.853 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.481 2.221 -14.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.780 1.187 -13.974 1.00 0.00 H new ATOM 314 N ARG A 21 -1.999 -4.543 -10.077 1.00 0.00 N ATOM 315 CA ARG A 21 -1.002 -5.521 -9.641 1.00 0.00 C ATOM 316 C ARG A 21 0.422 -5.181 -10.152 1.00 0.00 C ATOM 317 O ARG A 21 0.744 -5.285 -11.329 1.00 0.00 O ATOM 318 CB ARG A 21 -1.418 -6.871 -10.200 1.00 0.00 C ATOM 319 CG ARG A 21 -0.329 -7.935 -10.050 1.00 0.00 C ATOM 320 CD ARG A 21 -0.966 -9.300 -9.988 1.00 0.00 C ATOM 321 NE ARG A 21 0.017 -10.340 -10.261 1.00 0.00 N ATOM 322 CZ ARG A 21 -0.354 -11.631 -10.303 1.00 0.00 C ATOM 323 NH1 ARG A 21 -1.608 -11.974 -10.026 1.00 0.00 N ATOM 324 NH2 ARG A 21 0.534 -12.562 -10.625 1.00 0.00 N ATOM 0 H ARG A 21 -2.868 -4.946 -10.426 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.962 -5.520 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.321 -7.207 -9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.669 -6.761 -11.255 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.364 -7.883 -10.890 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.252 -7.751 -9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.405 -9.457 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.778 -9.361 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 21 0.992 -10.087 -10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.291 -11.257 -9.781 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.888 -12.954 -10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.495 -12.297 -10.840 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.256 -13.543 -10.658 1.00 0.00 H new ATOM 338 N GLY A 22 1.215 -4.784 -9.143 1.00 0.00 N ATOM 339 CA GLY A 22 2.607 -4.407 -9.325 1.00 0.00 C ATOM 340 C GLY A 22 2.902 -2.922 -9.059 1.00 0.00 C ATOM 341 O GLY A 22 4.031 -2.498 -9.283 1.00 0.00 O ATOM 0 H GLY A 22 0.896 -4.719 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.225 -5.012 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.906 -4.647 -10.345 1.00 0.00 H new ATOM 345 N ASP A 23 1.896 -2.135 -8.573 1.00 0.00 N ATOM 346 CA ASP A 23 2.211 -0.733 -8.334 1.00 0.00 C ATOM 347 C ASP A 23 3.156 -0.602 -7.127 1.00 0.00 C ATOM 348 O ASP A 23 3.186 -1.434 -6.230 1.00 0.00 O ATOM 349 CB ASP A 23 0.954 0.129 -8.107 1.00 0.00 C ATOM 350 CG ASP A 23 0.095 0.397 -9.362 1.00 0.00 C ATOM 351 OD1 ASP A 23 0.310 -0.216 -10.405 1.00 0.00 O ATOM 352 OD2 ASP A 23 -0.788 1.248 -9.281 1.00 0.00 O ATOM 0 H ASP A 23 0.944 -2.433 -8.360 1.00 0.00 H new ATOM 0 HA ASP A 23 2.701 -0.360 -9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.330 -0.360 -7.359 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.263 1.087 -7.688 1.00 0.00 H new ATOM 357 N ILE A 24 3.916 0.510 -7.176 1.00 0.00 N ATOM 358 CA ILE A 24 4.875 0.821 -6.119 1.00 0.00 C ATOM 359 C ILE A 24 4.223 1.906 -5.249 1.00 0.00 C ATOM 360 O ILE A 24 4.038 3.030 -5.699 1.00 0.00 O ATOM 361 CB ILE A 24 6.204 1.305 -6.739 1.00 0.00 C ATOM 362 CG1 ILE A 24 6.701 0.388 -7.879 1.00 0.00 C ATOM 363 CG2 ILE A 24 7.297 1.480 -5.675 1.00 0.00 C ATOM 364 CD1 ILE A 24 6.864 -1.086 -7.485 1.00 0.00 C ATOM 0 H ILE A 24 3.879 1.195 -7.931 1.00 0.00 H new ATOM 0 HA ILE A 24 5.114 -0.053 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 24 5.991 2.280 -7.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.001 0.453 -8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.659 0.763 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.216 1.821 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.974 2.216 -4.939 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.478 0.526 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.216 -1.656 -8.345 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.588 -1.168 -6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.904 -1.483 -7.155 1.00 0.00 H new ATOM 376 N LEU A 25 3.885 1.518 -3.995 1.00 0.00 N ATOM 377 CA LEU A 25 3.213 2.474 -3.096 1.00 0.00 C ATOM 378 C LEU A 25 4.161 3.020 -2.035 1.00 0.00 C ATOM 379 O LEU A 25 5.268 2.545 -1.812 1.00 0.00 O ATOM 380 CB LEU A 25 1.931 1.892 -2.440 1.00 0.00 C ATOM 381 CG LEU A 25 1.048 1.160 -3.451 1.00 0.00 C ATOM 382 CD1 LEU A 25 1.422 -0.318 -3.670 1.00 0.00 C ATOM 383 CD2 LEU A 25 -0.438 1.235 -3.093 1.00 0.00 C ATOM 0 H LEU A 25 4.058 0.593 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 25 2.898 3.303 -3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.213 1.205 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.361 2.699 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 25 1.234 1.694 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.745 -0.760 -4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.446 -0.384 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.339 -0.858 -2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.020 0.700 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.600 0.781 -2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.753 2.278 -3.065 1.00 0.00 H new ATOM 395 N LYS A 26 3.594 4.061 -1.404 1.00 0.00 N ATOM 396 CA LYS A 26 4.293 4.759 -0.327 1.00 0.00 C ATOM 397 C LYS A 26 3.348 4.993 0.844 1.00 0.00 C ATOM 398 O LYS A 26 2.565 5.924 0.857 1.00 0.00 O ATOM 399 CB LYS A 26 5.008 6.022 -0.822 1.00 0.00 C ATOM 400 CG LYS A 26 5.348 6.984 0.323 1.00 0.00 C ATOM 401 CD LYS A 26 6.561 7.867 0.078 1.00 0.00 C ATOM 402 CE LYS A 26 6.983 8.514 1.392 1.00 0.00 C ATOM 403 NZ LYS A 26 8.081 9.462 1.219 1.00 0.00 N ATOM 0 H LYS A 26 2.668 4.429 -1.621 1.00 0.00 H new ATOM 0 HA LYS A 26 5.098 4.123 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.924 5.739 -1.340 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.376 6.534 -1.548 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.484 7.622 0.511 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.517 6.402 1.229 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.380 7.275 -0.329 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.325 8.634 -0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.128 9.028 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.284 7.738 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.331 9.875 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.907 8.968 0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.787 10.219 0.569 1.00 0.00 H new ATOM 417 N VAL A 27 3.568 4.176 1.890 1.00 0.00 N ATOM 418 CA VAL A 27 2.660 4.247 3.025 1.00 0.00 C ATOM 419 C VAL A 27 3.202 5.318 3.965 1.00 0.00 C ATOM 420 O VAL A 27 4.248 5.196 4.579 1.00 0.00 O ATOM 421 CB VAL A 27 2.554 2.866 3.698 1.00 0.00 C ATOM 422 CG1 VAL A 27 1.418 2.839 4.730 1.00 0.00 C ATOM 423 CG2 VAL A 27 2.347 1.732 2.672 1.00 0.00 C ATOM 0 H VAL A 27 4.326 3.497 1.966 1.00 0.00 H new ATOM 0 HA VAL A 27 1.649 4.517 2.721 1.00 0.00 H new ATOM 0 HB VAL A 27 3.504 2.696 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.367 1.852 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.608 3.587 5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.472 3.059 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.278 0.777 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.427 1.909 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.190 1.708 1.981 1.00 0.00 H new ATOM 433 N LEU A 28 2.386 6.387 4.003 1.00 0.00 N ATOM 434 CA LEU A 28 2.693 7.585 4.768 1.00 0.00 C ATOM 435 C LEU A 28 2.119 7.500 6.193 1.00 0.00 C ATOM 436 O LEU A 28 2.768 7.891 7.154 1.00 0.00 O ATOM 437 CB LEU A 28 2.123 8.755 3.938 1.00 0.00 C ATOM 438 CG LEU A 28 2.665 10.155 4.300 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.598 11.097 3.090 1.00 0.00 C ATOM 440 CD2 LEU A 28 1.909 10.781 5.481 1.00 0.00 C ATOM 0 H LEU A 28 1.499 6.434 3.501 1.00 0.00 H new ATOM 0 HA LEU A 28 3.763 7.721 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.331 8.565 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.039 8.764 4.052 1.00 0.00 H new ATOM 0 HG LEU A 28 3.705 10.020 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.985 12.077 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.198 10.688 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.563 11.196 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.325 11.765 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.854 10.882 5.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.010 10.142 6.358 1.00 0.00 H new ATOM 452 N ASN A 29 0.885 6.953 6.274 1.00 0.00 N ATOM 453 CA ASN A 29 0.219 6.801 7.569 1.00 0.00 C ATOM 454 C ASN A 29 -0.342 5.371 7.696 1.00 0.00 C ATOM 455 O ASN A 29 -1.201 4.941 6.935 1.00 0.00 O ATOM 456 CB ASN A 29 -0.884 7.865 7.715 1.00 0.00 C ATOM 457 CG ASN A 29 -1.597 7.785 9.080 1.00 0.00 C ATOM 458 OD1 ASN A 29 -2.779 7.482 9.163 1.00 0.00 O ATOM 459 ND2 ASN A 29 -0.804 8.072 10.125 1.00 0.00 N ATOM 0 H ASN A 29 0.348 6.619 5.474 1.00 0.00 H new ATOM 0 HA ASN A 29 0.934 6.953 8.377 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.448 8.856 7.593 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.616 7.738 6.917 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.180 8.046 11.073 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.174 8.316 9.971 1.00 0.00 H new ATOM 536 N ASN A 35 -6.081 -3.609 8.633 1.00 0.00 N ATOM 537 CA ASN A 35 -6.632 -4.081 7.375 1.00 0.00 C ATOM 538 C ASN A 35 -6.536 -2.986 6.301 1.00 0.00 C ATOM 539 O ASN A 35 -6.691 -3.290 5.129 1.00 0.00 O ATOM 540 CB ASN A 35 -8.089 -4.542 7.506 1.00 0.00 C ATOM 541 CG ASN A 35 -8.236 -6.032 7.855 1.00 0.00 C ATOM 542 OD1 ASN A 35 -7.381 -6.855 7.545 1.00 0.00 O ATOM 543 ND2 ASN A 35 -9.372 -6.325 8.498 1.00 0.00 N ATOM 0 HA ASN A 35 -6.037 -4.945 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.581 -3.947 8.275 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.609 -4.344 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.573 -7.289 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.037 -5.585 8.722 1.00 0.00 H new ATOM 550 N TRP A 36 -6.274 -1.723 6.725 1.00 0.00 N ATOM 551 CA TRP A 36 -6.167 -0.620 5.764 1.00 0.00 C ATOM 552 C TRP A 36 -4.990 0.308 6.107 1.00 0.00 C ATOM 553 O TRP A 36 -4.843 0.790 7.220 1.00 0.00 O ATOM 554 CB TRP A 36 -7.445 0.223 5.782 1.00 0.00 C ATOM 555 CG TRP A 36 -8.623 -0.634 5.385 1.00 0.00 C ATOM 556 CD1 TRP A 36 -9.384 -1.465 6.215 1.00 0.00 C ATOM 557 CD2 TRP A 36 -9.142 -0.793 4.051 1.00 0.00 C ATOM 558 NE1 TRP A 36 -10.311 -2.103 5.464 1.00 0.00 N ATOM 559 CE2 TRP A 36 -10.197 -1.723 4.136 1.00 0.00 C ATOM 560 CE3 TRP A 36 -8.812 -0.243 2.845 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -10.879 -2.071 3.008 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -9.505 -0.601 1.692 1.00 0.00 C ATOM 563 CH2 TRP A 36 -10.544 -1.520 1.775 1.00 0.00 C ATOM 0 H TRP A 36 -6.138 -1.458 7.700 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.010 -1.064 4.781 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.604 0.639 6.777 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.347 1.065 5.096 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -9.253 -1.578 7.281 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.996 -2.768 5.824 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.007 0.475 2.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -11.689 -2.783 3.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -9.237 -0.168 0.740 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.089 -1.805 0.887 1.00 0.00 H new ATOM 574 N TYR A 37 -4.182 0.509 5.056 1.00 0.00 N ATOM 575 CA TYR A 37 -3.004 1.372 5.077 1.00 0.00 C ATOM 576 C TYR A 37 -3.329 2.598 4.222 1.00 0.00 C ATOM 577 O TYR A 37 -4.094 2.499 3.274 1.00 0.00 O ATOM 578 CB TYR A 37 -1.825 0.691 4.356 1.00 0.00 C ATOM 579 CG TYR A 37 -1.158 -0.433 5.099 1.00 0.00 C ATOM 580 CD1 TYR A 37 -1.061 -0.448 6.483 1.00 0.00 C ATOM 581 CD2 TYR A 37 -0.582 -1.469 4.372 1.00 0.00 C ATOM 582 CE1 TYR A 37 -0.390 -1.470 7.134 1.00 0.00 C ATOM 583 CE2 TYR A 37 0.094 -2.501 5.004 1.00 0.00 C ATOM 584 CZ TYR A 37 0.217 -2.498 6.401 1.00 0.00 C ATOM 585 OH TYR A 37 0.917 -3.508 7.056 1.00 0.00 O ATOM 0 H TYR A 37 -4.337 0.064 4.151 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.752 1.602 6.112 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.182 0.307 3.401 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.074 1.449 4.134 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.514 0.346 7.059 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.663 -1.470 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.334 -1.474 8.213 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.524 -3.304 4.423 1.00 0.00 H new ATOM 0 HH TYR A 37 1.273 -4.140 6.397 1.00 0.00 H new ATOM 595 N LYS A 38 -2.718 3.742 4.594 1.00 0.00 N ATOM 596 CA LYS A 38 -2.884 4.962 3.809 1.00 0.00 C ATOM 597 C LYS A 38 -1.544 5.176 3.082 1.00 0.00 C ATOM 598 O LYS A 38 -0.514 5.374 3.716 1.00 0.00 O ATOM 599 CB LYS A 38 -3.245 6.162 4.688 1.00 0.00 C ATOM 600 CG LYS A 38 -3.626 7.380 3.848 1.00 0.00 C ATOM 601 CD LYS A 38 -4.156 8.523 4.713 1.00 0.00 C ATOM 602 CE LYS A 38 -4.486 9.743 3.862 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.994 10.864 4.647 1.00 0.00 N ATOM 0 H LYS A 38 -2.120 3.837 5.415 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.709 4.866 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.075 5.897 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.400 6.412 5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.756 7.722 3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.384 7.095 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.048 8.196 5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.413 8.790 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.591 10.058 3.325 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.227 9.466 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.201 11.664 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.864 10.577 5.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.279 11.150 5.346 1.00 0.00 H new ATOM 617 N ALA A 39 -1.611 5.126 1.729 1.00 0.00 N ATOM 618 CA ALA A 39 -0.391 5.278 0.932 1.00 0.00 C ATOM 619 C ALA A 39 -0.590 6.205 -0.260 1.00 0.00 C ATOM 620 O ALA A 39 -1.699 6.620 -0.557 1.00 0.00 O ATOM 621 CB ALA A 39 0.033 3.883 0.463 1.00 0.00 C ATOM 0 H ALA A 39 -2.467 4.987 1.192 1.00 0.00 H new ATOM 0 HA ALA A 39 0.384 5.736 1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.941 3.961 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.222 3.250 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.762 3.445 -0.140 1.00 0.00 H new ATOM 627 N GLU A 40 0.558 6.482 -0.920 1.00 0.00 N ATOM 628 CA GLU A 40 0.610 7.386 -2.057 1.00 0.00 C ATOM 629 C GLU A 40 0.874 6.599 -3.354 1.00 0.00 C ATOM 630 O GLU A 40 1.780 5.780 -3.449 1.00 0.00 O ATOM 631 CB GLU A 40 1.760 8.371 -1.781 1.00 0.00 C ATOM 632 CG GLU A 40 2.140 9.289 -2.962 1.00 0.00 C ATOM 633 CD GLU A 40 3.408 10.086 -2.619 1.00 0.00 C ATOM 634 OE1 GLU A 40 3.305 11.120 -1.961 1.00 0.00 O ATOM 635 OE2 GLU A 40 4.491 9.650 -3.005 1.00 0.00 O ATOM 0 H GLU A 40 1.461 6.080 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.335 7.914 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.485 8.995 -0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.642 7.801 -1.487 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.307 8.692 -3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.319 9.972 -3.182 1.00 0.00 H new ATOM 642 N LEU A 41 0.002 6.929 -4.323 1.00 0.00 N ATOM 643 CA LEU A 41 0.009 6.402 -5.671 1.00 0.00 C ATOM 644 C LEU A 41 -0.803 7.240 -6.636 1.00 0.00 C ATOM 645 O LEU A 41 -1.852 7.788 -6.326 1.00 0.00 O ATOM 646 CB LEU A 41 -0.781 5.089 -5.747 1.00 0.00 C ATOM 647 CG LEU A 41 -0.022 3.799 -5.522 1.00 0.00 C ATOM 648 CD1 LEU A 41 -1.043 2.695 -5.754 1.00 0.00 C ATOM 649 CD2 LEU A 41 1.066 3.657 -6.581 1.00 0.00 C ATOM 0 H LEU A 41 -0.752 7.598 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 41 1.069 6.340 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.585 5.138 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.250 5.036 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 41 0.434 3.766 -4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.569 1.724 -5.609 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.866 2.806 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.427 2.763 -6.772 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.613 2.728 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.610 3.642 -7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.754 4.500 -6.511 1.00 0.00 H new ATOM 661 N ASN A 42 -0.257 7.176 -7.865 1.00 0.00 N ATOM 662 CA ASN A 42 -0.942 7.717 -9.024 1.00 0.00 C ATOM 663 C ASN A 42 -1.388 9.195 -8.906 1.00 0.00 C ATOM 664 O ASN A 42 -2.425 9.593 -9.424 1.00 0.00 O ATOM 665 CB ASN A 42 -2.080 6.676 -9.232 1.00 0.00 C ATOM 666 CG ASN A 42 -2.179 6.131 -10.655 1.00 0.00 C ATOM 667 OD1 ASN A 42 -2.888 6.641 -11.509 1.00 0.00 O ATOM 668 ND2 ASN A 42 -1.416 5.037 -10.832 1.00 0.00 N ATOM 0 H ASN A 42 0.650 6.756 -8.067 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.298 7.820 -9.897 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.925 5.843 -8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.031 7.136 -8.964 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.401 4.567 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.853 4.678 -10.061 1.00 0.00 H new ATOM 675 N GLY A 43 -0.545 9.978 -8.196 1.00 0.00 N ATOM 676 CA GLY A 43 -0.811 11.406 -7.994 1.00 0.00 C ATOM 677 C GLY A 43 -1.840 11.719 -6.894 1.00 0.00 C ATOM 678 O GLY A 43 -2.276 12.854 -6.744 1.00 0.00 O ATOM 0 H GLY A 43 0.314 9.643 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.126 11.905 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.163 11.833 -8.933 1.00 0.00 H new ATOM 682 N LYS A 44 -2.211 10.653 -6.151 1.00 0.00 N ATOM 683 CA LYS A 44 -3.165 10.715 -5.062 1.00 0.00 C ATOM 684 C LYS A 44 -2.593 9.907 -3.887 1.00 0.00 C ATOM 685 O LYS A 44 -1.554 9.273 -3.990 1.00 0.00 O ATOM 686 CB LYS A 44 -4.467 10.062 -5.565 1.00 0.00 C ATOM 687 CG LYS A 44 -5.276 10.951 -6.519 1.00 0.00 C ATOM 688 CD LYS A 44 -5.927 12.136 -5.791 1.00 0.00 C ATOM 689 CE LYS A 44 -6.802 12.987 -6.713 1.00 0.00 C ATOM 690 NZ LYS A 44 -7.470 14.060 -5.983 1.00 0.00 N ATOM 0 H LYS A 44 -1.839 9.716 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.356 11.738 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.222 9.129 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.089 9.805 -4.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.623 11.325 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.049 10.354 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.533 11.762 -4.966 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.148 12.762 -5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.188 13.414 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.548 12.354 -7.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.054 14.616 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.075 13.652 -5.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.757 14.678 -5.546 1.00 0.00 H new ATOM 704 N ASP A 45 -3.345 9.990 -2.773 1.00 0.00 N ATOM 705 CA ASP A 45 -3.024 9.245 -1.551 1.00 0.00 C ATOM 706 C ASP A 45 -4.366 8.841 -0.898 1.00 0.00 C ATOM 707 O ASP A 45 -5.227 9.676 -0.649 1.00 0.00 O ATOM 708 CB ASP A 45 -2.031 9.951 -0.601 1.00 0.00 C ATOM 709 CG ASP A 45 -1.459 11.274 -1.144 1.00 0.00 C ATOM 710 OD1 ASP A 45 -2.200 12.256 -1.199 1.00 0.00 O ATOM 711 OD2 ASP A 45 -0.280 11.306 -1.494 1.00 0.00 O ATOM 0 H ASP A 45 -4.181 10.569 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.459 8.350 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -2.532 10.148 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.205 9.272 -0.390 1.00 0.00 H new ATOM 716 N GLY A 46 -4.499 7.518 -0.658 1.00 0.00 N ATOM 717 CA GLY A 46 -5.742 6.983 -0.098 1.00 0.00 C ATOM 718 C GLY A 46 -5.534 5.629 0.557 1.00 0.00 C ATOM 719 O GLY A 46 -4.426 5.107 0.612 1.00 0.00 O ATOM 0 H GLY A 46 -3.776 6.822 -0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.140 7.684 0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.487 6.893 -0.889 1.00 0.00 H new ATOM 723 N PHE A 47 -6.669 5.080 1.028 1.00 0.00 N ATOM 724 CA PHE A 47 -6.617 3.784 1.687 1.00 0.00 C ATOM 725 C PHE A 47 -6.552 2.648 0.658 1.00 0.00 C ATOM 726 O PHE A 47 -7.072 2.720 -0.450 1.00 0.00 O ATOM 727 CB PHE A 47 -7.816 3.629 2.621 1.00 0.00 C ATOM 728 CG PHE A 47 -7.712 4.617 3.746 1.00 0.00 C ATOM 729 CD1 PHE A 47 -6.904 4.352 4.848 1.00 0.00 C ATOM 730 CD2 PHE A 47 -8.398 5.822 3.689 1.00 0.00 C ATOM 731 CE1 PHE A 47 -6.777 5.286 5.867 1.00 0.00 C ATOM 732 CE2 PHE A 47 -8.267 6.757 4.700 1.00 0.00 C ATOM 733 CZ PHE A 47 -7.457 6.494 5.798 1.00 0.00 C ATOM 0 H PHE A 47 -7.595 5.502 0.964 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.708 3.727 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.742 3.788 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.852 2.614 3.017 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.373 3.414 4.911 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.041 6.032 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.146 5.072 6.717 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.797 7.696 4.636 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.358 7.222 6.590 1.00 0.00 H new ATOM 743 N ILE A 48 -5.822 1.617 1.122 1.00 0.00 N ATOM 744 CA ILE A 48 -5.580 0.398 0.369 1.00 0.00 C ATOM 745 C ILE A 48 -5.668 -0.768 1.374 1.00 0.00 C ATOM 746 O ILE A 48 -5.253 -0.610 2.514 1.00 0.00 O ATOM 747 CB ILE A 48 -4.178 0.464 -0.282 1.00 0.00 C ATOM 748 CG1 ILE A 48 -3.049 0.522 0.775 1.00 0.00 C ATOM 749 CG2 ILE A 48 -4.076 1.641 -1.269 1.00 0.00 C ATOM 750 CD1 ILE A 48 -1.639 0.536 0.199 1.00 0.00 C ATOM 0 H ILE A 48 -5.383 1.619 2.043 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.309 0.264 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.044 -0.460 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.187 1.415 1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.147 -0.337 1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.079 1.661 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.819 1.520 -2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.257 2.576 -0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.914 0.577 1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.476 -0.369 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.516 1.410 -0.441 1.00 0.00 H new ATOM 762 N PRO A 49 -6.221 -1.941 0.959 1.00 0.00 N ATOM 763 CA PRO A 49 -6.293 -3.099 1.850 1.00 0.00 C ATOM 764 C PRO A 49 -4.891 -3.711 2.078 1.00 0.00 C ATOM 765 O PRO A 49 -4.065 -3.725 1.174 1.00 0.00 O ATOM 766 CB PRO A 49 -7.244 -4.092 1.165 1.00 0.00 C ATOM 767 CG PRO A 49 -7.675 -3.441 -0.158 1.00 0.00 C ATOM 768 CD PRO A 49 -6.842 -2.175 -0.341 1.00 0.00 C ATOM 0 HA PRO A 49 -6.660 -2.826 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -6.746 -5.045 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -8.109 -4.299 1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -7.518 -4.126 -0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.738 -3.201 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.091 -2.306 -1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.465 -1.332 -0.638 1.00 0.00 H new ATOM 776 N LYS A 50 -4.666 -4.224 3.311 1.00 0.00 N ATOM 777 CA LYS A 50 -3.361 -4.821 3.610 1.00 0.00 C ATOM 778 C LYS A 50 -3.216 -6.158 2.866 1.00 0.00 C ATOM 779 O LYS A 50 -2.143 -6.544 2.426 1.00 0.00 O ATOM 780 CB LYS A 50 -3.289 -5.152 5.108 1.00 0.00 C ATOM 781 CG LYS A 50 -3.127 -3.915 5.990 1.00 0.00 C ATOM 782 CD LYS A 50 -2.862 -4.242 7.467 1.00 0.00 C ATOM 783 CE LYS A 50 -1.644 -5.157 7.686 1.00 0.00 C ATOM 784 NZ LYS A 50 -2.015 -6.560 7.878 1.00 0.00 N ATOM 0 H LYS A 50 -5.341 -4.234 4.076 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.584 -4.117 3.312 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.195 -5.683 5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.453 -5.828 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.304 -3.312 5.607 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.029 -3.307 5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.711 -3.312 8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.746 -4.720 7.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.976 -5.077 6.828 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.087 -4.811 8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.176 -7.161 7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.392 -6.691 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.741 -6.826 7.182 1.00 0.00 H new ATOM 798 N ASN A 51 -4.384 -6.810 2.745 1.00 0.00 N ATOM 799 CA ASN A 51 -4.510 -8.097 2.069 1.00 0.00 C ATOM 800 C ASN A 51 -4.229 -8.013 0.547 1.00 0.00 C ATOM 801 O ASN A 51 -3.872 -9.015 -0.062 1.00 0.00 O ATOM 802 CB ASN A 51 -5.814 -8.792 2.467 1.00 0.00 C ATOM 803 CG ASN A 51 -7.002 -7.861 2.285 1.00 0.00 C ATOM 804 OD1 ASN A 51 -7.123 -6.825 2.922 1.00 0.00 O ATOM 805 ND2 ASN A 51 -7.868 -8.303 1.381 1.00 0.00 N ATOM 0 H ASN A 51 -5.264 -6.453 3.116 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.714 -8.753 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.953 -9.688 1.862 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.756 -9.115 3.506 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.710 -7.765 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.692 -9.181 0.892 1.00 0.00 H new ATOM 812 N TYR A 52 -4.329 -6.784 -0.021 1.00 0.00 N ATOM 813 CA TYR A 52 -4.030 -6.634 -1.451 1.00 0.00 C ATOM 814 C TYR A 52 -2.558 -6.217 -1.738 1.00 0.00 C ATOM 815 O TYR A 52 -2.257 -5.960 -2.891 1.00 0.00 O ATOM 816 CB TYR A 52 -4.979 -5.577 -2.047 1.00 0.00 C ATOM 817 CG TYR A 52 -6.256 -6.179 -2.568 1.00 0.00 C ATOM 818 CD1 TYR A 52 -7.202 -6.718 -1.709 1.00 0.00 C ATOM 819 CD2 TYR A 52 -6.501 -6.213 -3.933 1.00 0.00 C ATOM 820 CE1 TYR A 52 -8.363 -7.294 -2.205 1.00 0.00 C ATOM 821 CE2 TYR A 52 -7.645 -6.801 -4.448 1.00 0.00 C ATOM 822 CZ TYR A 52 -8.604 -7.355 -3.579 1.00 0.00 C ATOM 823 OH TYR A 52 -9.762 -8.001 -4.024 1.00 0.00 O ATOM 0 H TYR A 52 -4.600 -5.930 0.466 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.174 -7.611 -1.912 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.215 -4.834 -1.285 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.471 -5.053 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.033 -6.689 -0.643 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.784 -5.771 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -9.091 -7.701 -1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.801 -6.834 -5.516 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.005 -8.710 -3.392 1.00 0.00 H new ATOM 833 N ILE A 53 -1.681 -6.130 -0.698 1.00 0.00 N ATOM 834 CA ILE A 53 -0.224 -5.818 -0.840 1.00 0.00 C ATOM 835 C ILE A 53 0.618 -6.770 0.036 1.00 0.00 C ATOM 836 O ILE A 53 0.128 -7.496 0.893 1.00 0.00 O ATOM 837 CB ILE A 53 0.141 -4.299 -0.687 1.00 0.00 C ATOM 838 CG1 ILE A 53 1.439 -3.956 0.108 1.00 0.00 C ATOM 839 CG2 ILE A 53 -1.043 -3.499 -0.144 1.00 0.00 C ATOM 840 CD1 ILE A 53 1.591 -2.482 0.432 1.00 0.00 C ATOM 0 H ILE A 53 -1.965 -6.275 0.271 1.00 0.00 H new ATOM 0 HA ILE A 53 0.043 -6.013 -1.879 1.00 0.00 H new ATOM 0 HB ILE A 53 0.374 -4.000 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.444 -4.525 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.304 -4.282 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.761 -2.451 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.886 -3.587 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.328 -3.888 0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.517 -2.325 0.985 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.619 -1.907 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.746 -2.154 1.038 1.00 0.00 H new ATOM 852 N GLU A 54 1.923 -6.704 -0.308 1.00 0.00 N ATOM 853 CA GLU A 54 3.028 -7.415 0.313 1.00 0.00 C ATOM 854 C GLU A 54 4.160 -6.402 0.489 1.00 0.00 C ATOM 855 O GLU A 54 4.469 -5.684 -0.457 1.00 0.00 O ATOM 856 CB GLU A 54 3.514 -8.511 -0.650 1.00 0.00 C ATOM 857 CG GLU A 54 4.894 -9.115 -0.308 1.00 0.00 C ATOM 858 CD GLU A 54 6.094 -8.352 -0.917 1.00 0.00 C ATOM 859 OE1 GLU A 54 6.186 -8.280 -2.141 1.00 0.00 O ATOM 860 OE2 GLU A 54 6.931 -7.853 -0.161 1.00 0.00 O ATOM 0 H GLU A 54 2.237 -6.112 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 54 2.729 -7.859 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.777 -9.314 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.555 -8.097 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.007 -9.140 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.921 -10.148 -0.656 1.00 0.00 H new ATOM 927 N VAL B 1 -7.758 -15.102 -8.436 1.00 0.00 N ATOM 928 CA VAL B 1 -8.814 -14.270 -7.869 1.00 0.00 C ATOM 929 C VAL B 1 -8.308 -13.714 -6.517 1.00 0.00 C ATOM 930 O VAL B 1 -7.976 -14.482 -5.622 1.00 0.00 O ATOM 931 CB VAL B 1 -10.119 -15.078 -7.723 1.00 0.00 C ATOM 932 CG1 VAL B 1 -9.989 -16.354 -6.877 1.00 0.00 C ATOM 933 CG2 VAL B 1 -11.254 -14.202 -7.177 1.00 0.00 C ATOM 0 H1 VAL B 1 -8.103 -15.557 -9.305 1.00 0.00 H new ATOM 0 H2 VAL B 1 -6.932 -14.510 -8.659 1.00 0.00 H new ATOM 0 H3 VAL B 1 -7.485 -15.832 -7.748 1.00 0.00 H new ATOM 0 HA VAL B 1 -9.047 -13.434 -8.529 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.357 -15.408 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.954 -16.858 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.255 -17.019 -7.332 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -9.666 -16.091 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.162 -14.798 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -10.974 -13.813 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.433 -13.372 -7.860 1.00 0.00 H new ATOM 943 N PRO B 2 -8.230 -12.357 -6.388 1.00 0.00 N ATOM 944 CA PRO B 2 -7.752 -11.773 -5.145 1.00 0.00 C ATOM 945 C PRO B 2 -8.718 -11.945 -3.942 1.00 0.00 C ATOM 946 O PRO B 2 -9.902 -12.222 -4.102 1.00 0.00 O ATOM 947 CB PRO B 2 -7.602 -10.274 -5.435 1.00 0.00 C ATOM 948 CG PRO B 2 -8.058 -10.017 -6.871 1.00 0.00 C ATOM 949 CD PRO B 2 -8.513 -11.364 -7.430 1.00 0.00 C ATOM 0 HA PRO B 2 -6.829 -12.275 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.201 -9.690 -4.736 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -6.565 -9.963 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -8.872 -9.292 -6.896 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -7.245 -9.604 -7.468 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -9.576 -11.346 -7.672 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -7.980 -11.603 -8.350 1.00 0.00 H new ATOM 957 N PRO B 3 -8.126 -11.757 -2.727 1.00 0.00 N ATOM 958 CA PRO B 3 -8.823 -11.800 -1.444 1.00 0.00 C ATOM 959 C PRO B 3 -10.093 -10.929 -1.326 1.00 0.00 C ATOM 960 O PRO B 3 -10.304 -9.995 -2.088 1.00 0.00 O ATOM 961 CB PRO B 3 -7.787 -11.132 -0.518 1.00 0.00 C ATOM 962 CG PRO B 3 -6.426 -11.523 -1.072 1.00 0.00 C ATOM 963 CD PRO B 3 -6.674 -11.628 -2.569 1.00 0.00 C ATOM 0 HA PRO B 3 -9.148 -12.821 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -7.910 -10.049 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -7.904 -11.473 0.511 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.668 -10.775 -0.841 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -6.078 -12.468 -0.655 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.301 -10.746 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -6.157 -12.490 -2.991 1.00 0.00 H new ATOM 971 N PRO B 4 -10.924 -11.262 -0.299 1.00 0.00 N ATOM 972 CA PRO B 4 -12.115 -10.482 0.029 1.00 0.00 C ATOM 973 C PRO B 4 -11.607 -9.288 0.827 1.00 0.00 C ATOM 974 O PRO B 4 -10.879 -9.403 1.806 1.00 0.00 O ATOM 975 CB PRO B 4 -12.938 -11.412 0.922 1.00 0.00 C ATOM 976 CG PRO B 4 -11.898 -12.326 1.584 1.00 0.00 C ATOM 977 CD PRO B 4 -10.754 -12.425 0.570 1.00 0.00 C ATOM 0 HA PRO B 4 -12.703 -10.137 -0.822 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.504 -10.851 1.665 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.659 -11.987 0.340 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -11.552 -11.910 2.530 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -12.318 -13.308 1.803 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.783 -12.410 1.066 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.808 -13.354 0.003 1.00 0.00 H new ATOM 985 N VAL B 5 -12.014 -8.135 0.293 1.00 0.00 N ATOM 986 CA VAL B 5 -11.578 -6.898 0.885 1.00 0.00 C ATOM 987 C VAL B 5 -12.246 -6.691 2.268 1.00 0.00 C ATOM 988 O VAL B 5 -13.445 -6.897 2.410 1.00 0.00 O ATOM 989 CB VAL B 5 -11.808 -5.755 -0.075 1.00 0.00 C ATOM 990 CG1 VAL B 5 -10.828 -4.614 0.226 1.00 0.00 C ATOM 991 CG2 VAL B 5 -11.636 -6.085 -1.550 1.00 0.00 C ATOM 0 H VAL B 5 -12.623 -8.045 -0.520 1.00 0.00 H new ATOM 0 HA VAL B 5 -10.505 -6.935 1.072 1.00 0.00 H new ATOM 0 HB VAL B 5 -12.853 -5.489 0.084 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -11.000 -3.793 -0.470 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -10.981 -4.262 1.246 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -9.805 -4.974 0.116 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -11.825 -5.193 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -10.619 -6.433 -1.729 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -12.341 -6.866 -1.833 1.00 0.00 H new ATOM 1001 N PRO B 6 -11.434 -6.287 3.283 1.00 0.00 N ATOM 1002 CA PRO B 6 -11.942 -6.065 4.641 1.00 0.00 C ATOM 1003 C PRO B 6 -13.005 -4.951 4.757 1.00 0.00 C ATOM 1004 O PRO B 6 -13.203 -4.155 3.852 1.00 0.00 O ATOM 1005 CB PRO B 6 -10.693 -5.644 5.439 1.00 0.00 C ATOM 1006 CG PRO B 6 -9.475 -5.984 4.579 1.00 0.00 C ATOM 1007 CD PRO B 6 -9.992 -6.057 3.152 1.00 0.00 C ATOM 0 HA PRO B 6 -12.442 -6.966 4.996 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -10.721 -4.578 5.664 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -10.650 -6.170 6.393 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -8.701 -5.223 4.677 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -9.031 -6.932 4.884 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -9.787 -5.134 2.610 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -9.512 -6.864 2.599 1.00 0.00 H new ATOM 1015 N PRO B 7 -13.711 -4.932 5.914 1.00 0.00 N ATOM 1016 CA PRO B 7 -14.688 -3.882 6.186 1.00 0.00 C ATOM 1017 C PRO B 7 -13.986 -2.673 6.850 1.00 0.00 C ATOM 1018 O PRO B 7 -13.526 -2.760 7.981 1.00 0.00 O ATOM 1019 CB PRO B 7 -15.621 -4.536 7.211 1.00 0.00 C ATOM 1020 CG PRO B 7 -14.741 -5.559 7.946 1.00 0.00 C ATOM 1021 CD PRO B 7 -13.742 -6.027 6.886 1.00 0.00 C ATOM 0 HA PRO B 7 -15.194 -3.523 5.290 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -16.030 -3.798 7.901 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -16.467 -5.020 6.723 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -14.234 -5.108 8.799 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -15.333 -6.390 8.330 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -12.757 -6.204 7.318 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -14.060 -6.961 6.424 1.00 0.00 H new ATOM 1029 N ARG B 8 -13.923 -1.551 6.096 1.00 0.00 N ATOM 1030 CA ARG B 8 -13.304 -0.340 6.654 1.00 0.00 C ATOM 1031 C ARG B 8 -14.398 0.447 7.399 1.00 0.00 C ATOM 1032 O ARG B 8 -15.506 0.590 6.900 1.00 0.00 O ATOM 1033 CB ARG B 8 -12.643 0.560 5.593 1.00 0.00 C ATOM 1034 CG ARG B 8 -13.448 0.754 4.303 1.00 0.00 C ATOM 1035 CD ARG B 8 -13.182 2.114 3.630 1.00 0.00 C ATOM 1036 NE ARG B 8 -14.334 2.609 2.882 1.00 0.00 N ATOM 1037 CZ ARG B 8 -14.996 1.908 1.939 1.00 0.00 C ATOM 1038 NH1 ARG B 8 -14.620 0.690 1.581 1.00 0.00 N ATOM 1039 NH2 ARG B 8 -16.052 2.444 1.345 1.00 0.00 N ATOM 0 H ARG B 8 -14.277 -1.464 5.143 1.00 0.00 H new ATOM 0 HA ARG B 8 -12.501 -0.651 7.322 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -12.457 1.538 6.036 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -11.672 0.137 5.335 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -13.203 -0.046 3.604 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -14.511 0.667 4.527 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -12.908 2.844 4.392 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -12.330 2.021 2.957 1.00 0.00 H new ATOM 0 HE ARG B 8 -14.662 3.553 3.087 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -13.809 0.256 2.022 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -15.142 0.185 0.864 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -16.360 3.382 1.602 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -16.557 1.919 0.631 1.00 0.00 H new