USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -158:sc=-0.00379 (180deg=-0.537) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0304 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 26:sc= 0.213 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 0.686 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 161:sc= 0.089 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 28:sc= 0.264 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0851 USER MOD Single : A 37 GLN : amide:sc= -0.0305 K(o=-0.03,f=-1.4!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc=-0.00623 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -118:sc= 1.11 USER MOD Single : A 57 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.63) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= -0.52 (180deg=-0.724!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.497 -5.072 -24.544 1.00 0.00 N ATOM 2 CA GLY A 1 11.713 -5.983 -23.728 1.00 0.00 C ATOM 3 C GLY A 1 10.365 -5.364 -23.356 1.00 0.00 C ATOM 4 O GLY A 1 9.777 -4.627 -24.147 1.00 0.00 O ATOM 0 H1 GLY A 1 13.073 -5.617 -25.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.859 -4.439 -25.067 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.121 -4.507 -23.933 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.552 -6.915 -24.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.265 -6.232 -22.822 1.00 0.00 H new ATOM 8 N SER A 2 9.913 -5.686 -22.153 1.00 0.00 N ATOM 9 CA SER A 2 8.644 -5.170 -21.667 1.00 0.00 C ATOM 10 C SER A 2 8.757 -3.667 -21.404 1.00 0.00 C ATOM 11 O SER A 2 9.679 -3.220 -20.723 1.00 0.00 O ATOM 12 CB SER A 2 8.203 -5.900 -20.397 1.00 0.00 C ATOM 13 OG SER A 2 7.139 -6.814 -20.649 1.00 0.00 O ATOM 0 H SER A 2 10.403 -6.298 -21.500 1.00 0.00 H new ATOM 0 HA SER A 2 7.888 -5.342 -22.433 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.052 -6.439 -19.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.886 -5.171 -19.651 1.00 0.00 H new ATOM 0 HG SER A 2 6.887 -7.261 -19.814 1.00 0.00 H new ATOM 19 N SER A 3 7.805 -2.929 -21.956 1.00 0.00 N ATOM 20 CA SER A 3 7.785 -1.486 -21.789 1.00 0.00 C ATOM 21 C SER A 3 6.854 -1.105 -20.637 1.00 0.00 C ATOM 22 O SER A 3 5.665 -1.421 -20.664 1.00 0.00 O ATOM 23 CB SER A 3 7.348 -0.788 -23.079 1.00 0.00 C ATOM 24 OG SER A 3 6.056 -1.214 -23.504 1.00 0.00 O ATOM 0 H SER A 3 7.042 -3.304 -22.519 1.00 0.00 H new ATOM 0 HA SER A 3 8.797 -1.155 -21.554 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.341 0.291 -22.923 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.074 -0.992 -23.866 1.00 0.00 H new ATOM 0 HG SER A 3 5.544 -1.528 -22.730 1.00 0.00 H new ATOM 30 N GLY A 4 7.428 -0.431 -19.652 1.00 0.00 N ATOM 31 CA GLY A 4 6.664 -0.004 -18.492 1.00 0.00 C ATOM 32 C GLY A 4 7.589 0.492 -17.378 1.00 0.00 C ATOM 33 O GLY A 4 8.769 0.148 -17.347 1.00 0.00 O ATOM 0 H GLY A 4 8.414 -0.170 -19.633 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.975 0.791 -18.778 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.059 -0.833 -18.125 1.00 0.00 H new ATOM 37 N SER A 5 7.017 1.292 -16.490 1.00 0.00 N ATOM 38 CA SER A 5 7.775 1.838 -15.377 1.00 0.00 C ATOM 39 C SER A 5 8.156 0.720 -14.405 1.00 0.00 C ATOM 40 O SER A 5 7.550 -0.350 -14.416 1.00 0.00 O ATOM 41 CB SER A 5 6.981 2.926 -14.651 1.00 0.00 C ATOM 42 OG SER A 5 7.061 4.181 -15.320 1.00 0.00 O ATOM 0 H SER A 5 6.038 1.575 -16.519 1.00 0.00 H new ATOM 0 HA SER A 5 8.684 2.292 -15.772 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.937 2.622 -14.574 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.358 3.033 -13.634 1.00 0.00 H new ATOM 0 HG SER A 5 6.540 4.848 -14.827 1.00 0.00 H new ATOM 48 N SER A 6 9.158 1.006 -13.587 1.00 0.00 N ATOM 49 CA SER A 6 9.627 0.038 -12.610 1.00 0.00 C ATOM 50 C SER A 6 10.230 0.762 -11.404 1.00 0.00 C ATOM 51 O SER A 6 11.272 1.405 -11.519 1.00 0.00 O ATOM 52 CB SER A 6 10.654 -0.913 -13.227 1.00 0.00 C ATOM 53 OG SER A 6 11.817 -0.224 -13.678 1.00 0.00 O ATOM 0 H SER A 6 9.658 1.895 -13.581 1.00 0.00 H new ATOM 0 HA SER A 6 8.775 -0.556 -12.280 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.940 -1.664 -12.491 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.200 -1.444 -14.064 1.00 0.00 H new ATOM 0 HG SER A 6 12.011 0.521 -13.072 1.00 0.00 H new ATOM 59 N GLY A 7 9.549 0.632 -10.275 1.00 0.00 N ATOM 60 CA GLY A 7 10.004 1.266 -9.050 1.00 0.00 C ATOM 61 C GLY A 7 8.849 1.447 -8.064 1.00 0.00 C ATOM 62 O GLY A 7 8.398 2.568 -7.830 1.00 0.00 O ATOM 0 H GLY A 7 8.686 0.097 -10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.786 0.661 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.445 2.236 -9.280 1.00 0.00 H new ATOM 66 N GLY A 8 8.402 0.329 -7.512 1.00 0.00 N ATOM 67 CA GLY A 8 7.307 0.350 -6.557 1.00 0.00 C ATOM 68 C GLY A 8 7.577 -0.605 -5.393 1.00 0.00 C ATOM 69 O GLY A 8 8.226 -1.635 -5.567 1.00 0.00 O ATOM 0 H GLY A 8 8.779 -0.598 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.170 1.363 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.379 0.069 -7.055 1.00 0.00 H new ATOM 73 N GLU A 9 7.064 -0.230 -4.230 1.00 0.00 N ATOM 74 CA GLU A 9 7.241 -1.040 -3.037 1.00 0.00 C ATOM 75 C GLU A 9 5.918 -1.701 -2.643 1.00 0.00 C ATOM 76 O GLU A 9 4.921 -1.017 -2.419 1.00 0.00 O ATOM 77 CB GLU A 9 7.801 -0.205 -1.885 1.00 0.00 C ATOM 78 CG GLU A 9 9.329 -0.146 -1.941 1.00 0.00 C ATOM 79 CD GLU A 9 9.949 -1.380 -1.283 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.611 -1.626 -0.105 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.748 -2.050 -1.973 1.00 0.00 O ATOM 0 H GLU A 9 6.525 0.625 -4.089 1.00 0.00 H new ATOM 0 HA GLU A 9 7.965 -1.824 -3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.393 0.805 -1.931 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.485 -0.633 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.656 -0.079 -2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.681 0.755 -1.437 1.00 0.00 H new ATOM 88 N GLU A 10 5.953 -3.024 -2.571 1.00 0.00 N ATOM 89 CA GLU A 10 4.769 -3.784 -2.208 1.00 0.00 C ATOM 90 C GLU A 10 4.527 -3.702 -0.700 1.00 0.00 C ATOM 91 O GLU A 10 5.353 -4.157 0.091 1.00 0.00 O ATOM 92 CB GLU A 10 4.891 -5.239 -2.666 1.00 0.00 C ATOM 93 CG GLU A 10 4.719 -5.353 -4.182 1.00 0.00 C ATOM 94 CD GLU A 10 6.066 -5.585 -4.870 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.717 -6.592 -4.518 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.413 -4.749 -5.733 1.00 0.00 O ATOM 0 H GLU A 10 6.782 -3.588 -2.758 1.00 0.00 H new ATOM 0 HA GLU A 10 3.910 -3.348 -2.718 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.864 -5.635 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.138 -5.846 -2.164 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.042 -6.175 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.261 -4.443 -4.569 1.00 0.00 H new ATOM 103 N TYR A 11 3.392 -3.119 -0.345 1.00 0.00 N ATOM 104 CA TYR A 11 3.031 -2.972 1.055 1.00 0.00 C ATOM 105 C TYR A 11 1.668 -3.606 1.339 1.00 0.00 C ATOM 106 O TYR A 11 0.770 -3.559 0.500 1.00 0.00 O ATOM 107 CB TYR A 11 2.943 -1.466 1.311 1.00 0.00 C ATOM 108 CG TYR A 11 4.235 -0.850 1.851 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.486 -0.851 3.209 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.151 -0.294 0.981 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.702 -0.272 3.717 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.367 0.286 1.490 1.00 0.00 C ATOM 113 CZ TYR A 11 6.583 0.268 2.832 1.00 0.00 C ATOM 114 OH TYR A 11 7.732 0.815 3.313 1.00 0.00 O ATOM 0 H TYR A 11 2.710 -2.742 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 11 3.764 -3.463 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.675 -0.965 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.137 -1.275 2.020 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.770 -1.286 3.890 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.956 -0.294 -0.081 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.910 -0.266 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.091 0.726 0.820 1.00 0.00 H new ATOM 0 HH TYR A 11 8.266 1.161 2.568 1.00 0.00 H new ATOM 124 N ILE A 12 1.557 -4.185 2.526 1.00 0.00 N ATOM 125 CA ILE A 12 0.318 -4.827 2.932 1.00 0.00 C ATOM 126 C ILE A 12 -0.431 -3.914 3.903 1.00 0.00 C ATOM 127 O ILE A 12 0.183 -3.263 4.748 1.00 0.00 O ATOM 128 CB ILE A 12 0.598 -6.224 3.492 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.461 -7.039 2.527 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.705 -6.944 3.844 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.608 -7.663 1.421 1.00 0.00 C ATOM 0 H ILE A 12 2.304 -4.223 3.219 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.333 -4.978 2.071 1.00 0.00 H new ATOM 0 HB ILE A 12 1.165 -6.114 4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.223 -6.397 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.983 -7.824 3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.478 -7.934 4.240 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.247 -6.369 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.319 -7.043 2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.246 -8.237 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.137 -8.323 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.106 -6.875 0.860 1.00 0.00 H new ATOM 143 N ALA A 13 -1.747 -3.894 3.752 1.00 0.00 N ATOM 144 CA ALA A 13 -2.586 -3.071 4.605 1.00 0.00 C ATOM 145 C ALA A 13 -2.718 -3.735 5.977 1.00 0.00 C ATOM 146 O ALA A 13 -3.362 -4.774 6.109 1.00 0.00 O ATOM 147 CB ALA A 13 -3.942 -2.853 3.931 1.00 0.00 C ATOM 0 H ALA A 13 -2.253 -4.435 3.051 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.135 -2.090 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.572 -2.235 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.796 -2.352 2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.426 -3.816 3.767 1.00 0.00 H new ATOM 153 N LEU A 14 -2.097 -3.107 6.965 1.00 0.00 N ATOM 154 CA LEU A 14 -2.136 -3.624 8.322 1.00 0.00 C ATOM 155 C LEU A 14 -3.579 -3.600 8.831 1.00 0.00 C ATOM 156 O LEU A 14 -4.043 -4.565 9.436 1.00 0.00 O ATOM 157 CB LEU A 14 -1.156 -2.860 9.215 1.00 0.00 C ATOM 158 CG LEU A 14 0.329 -3.126 8.963 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.194 -2.005 9.543 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.738 -4.500 9.498 1.00 0.00 C ATOM 0 H LEU A 14 -1.564 -2.245 6.852 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.807 -4.663 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.339 -1.793 9.092 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.377 -3.103 10.254 1.00 0.00 H new ATOM 0 HG LEU A 14 0.496 -3.136 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.245 -2.219 9.350 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.925 -1.058 9.075 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.029 -1.938 10.618 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.798 -4.664 9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.553 -4.542 10.571 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.155 -5.273 8.998 1.00 0.00 H new ATOM 172 N TYR A 15 -4.247 -2.487 8.568 1.00 0.00 N ATOM 173 CA TYR A 15 -5.627 -2.325 8.991 1.00 0.00 C ATOM 174 C TYR A 15 -6.501 -1.833 7.835 1.00 0.00 C ATOM 175 O TYR A 15 -6.008 -1.196 6.907 1.00 0.00 O ATOM 176 CB TYR A 15 -5.609 -1.260 10.089 1.00 0.00 C ATOM 177 CG TYR A 15 -4.586 -1.524 11.196 1.00 0.00 C ATOM 178 CD1 TYR A 15 -4.915 -2.341 12.259 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.334 -0.946 11.131 1.00 0.00 C ATOM 180 CE1 TYR A 15 -3.952 -2.590 13.300 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.371 -1.195 12.172 1.00 0.00 C ATOM 182 CZ TYR A 15 -2.728 -2.005 13.206 1.00 0.00 C ATOM 183 OH TYR A 15 -1.818 -2.240 14.189 1.00 0.00 O ATOM 0 H TYR A 15 -3.858 -1.688 8.067 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.037 -3.275 9.336 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.398 -0.291 9.637 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.602 -1.195 10.534 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.894 -2.793 12.310 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.077 -0.307 10.299 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.196 -3.227 14.137 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.388 -0.749 12.133 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.988 -1.758 13.989 1.00 0.00 H new ATOM 193 N PRO A 16 -7.819 -2.158 7.933 1.00 0.00 N ATOM 194 CA PRO A 16 -8.766 -1.756 6.907 1.00 0.00 C ATOM 195 C PRO A 16 -9.090 -0.265 7.013 1.00 0.00 C ATOM 196 O PRO A 16 -9.703 0.174 7.985 1.00 0.00 O ATOM 197 CB PRO A 16 -9.980 -2.645 7.124 1.00 0.00 C ATOM 198 CG PRO A 16 -9.856 -3.182 8.540 1.00 0.00 C ATOM 199 CD PRO A 16 -8.438 -2.912 9.018 1.00 0.00 C ATOM 0 HA PRO A 16 -8.372 -1.881 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.904 -2.081 7.000 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.003 -3.458 6.399 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.579 -2.698 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.070 -4.251 8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.435 -2.343 9.948 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.902 -3.841 9.211 1.00 0.00 H new ATOM 207 N TYR A 17 -8.663 0.474 5.999 1.00 0.00 N ATOM 208 CA TYR A 17 -8.900 1.907 5.965 1.00 0.00 C ATOM 209 C TYR A 17 -9.947 2.266 4.909 1.00 0.00 C ATOM 210 O TYR A 17 -9.732 2.048 3.718 1.00 0.00 O ATOM 211 CB TYR A 17 -7.564 2.546 5.580 1.00 0.00 C ATOM 212 CG TYR A 17 -7.607 4.073 5.494 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.546 4.832 6.645 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.707 4.692 4.264 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.587 6.269 6.564 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.747 6.130 4.183 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.685 6.847 5.337 1.00 0.00 C ATOM 218 OH TYR A 17 -7.723 8.204 5.260 1.00 0.00 O ATOM 0 H TYR A 17 -8.154 0.107 5.195 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.269 2.258 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.809 2.255 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.246 2.147 4.617 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.467 4.348 7.607 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.755 4.099 3.363 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.541 6.874 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.824 6.627 3.227 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.490 8.487 4.351 1.00 0.00 H new ATOM 228 N SER A 18 -11.058 2.809 5.384 1.00 0.00 N ATOM 229 CA SER A 18 -12.139 3.200 4.495 1.00 0.00 C ATOM 230 C SER A 18 -12.412 4.699 4.631 1.00 0.00 C ATOM 231 O SER A 18 -12.225 5.273 5.703 1.00 0.00 O ATOM 232 CB SER A 18 -13.410 2.400 4.789 1.00 0.00 C ATOM 233 OG SER A 18 -13.686 2.331 6.185 1.00 0.00 O ATOM 0 H SER A 18 -11.233 2.988 6.373 1.00 0.00 H new ATOM 0 HA SER A 18 -11.835 2.984 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.254 2.859 4.275 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.304 1.391 4.390 1.00 0.00 H new ATOM 0 HG SER A 18 -14.506 1.814 6.331 1.00 0.00 H new ATOM 239 N SER A 19 -12.852 5.290 3.530 1.00 0.00 N ATOM 240 CA SER A 19 -13.153 6.712 3.513 1.00 0.00 C ATOM 241 C SER A 19 -13.744 7.105 2.157 1.00 0.00 C ATOM 242 O SER A 19 -13.131 6.869 1.117 1.00 0.00 O ATOM 243 CB SER A 19 -11.903 7.543 3.808 1.00 0.00 C ATOM 244 OG SER A 19 -12.169 8.600 4.726 1.00 0.00 O ATOM 0 H SER A 19 -13.007 4.810 2.643 1.00 0.00 H new ATOM 0 HA SER A 19 -13.885 6.916 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.126 6.896 4.215 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.517 7.959 2.878 1.00 0.00 H new ATOM 0 HG SER A 19 -11.346 9.106 4.890 1.00 0.00 H new ATOM 250 N VAL A 20 -14.927 7.699 2.213 1.00 0.00 N ATOM 251 CA VAL A 20 -15.607 8.127 1.003 1.00 0.00 C ATOM 252 C VAL A 20 -14.943 9.399 0.473 1.00 0.00 C ATOM 253 O VAL A 20 -15.597 10.430 0.327 1.00 0.00 O ATOM 254 CB VAL A 20 -17.102 8.303 1.278 1.00 0.00 C ATOM 255 CG1 VAL A 20 -17.764 6.960 1.590 1.00 0.00 C ATOM 256 CG2 VAL A 20 -17.338 9.307 2.408 1.00 0.00 C ATOM 0 H VAL A 20 -15.432 7.894 3.078 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.520 7.367 0.226 1.00 0.00 H new ATOM 0 HB VAL A 20 -17.564 8.702 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -18.826 7.114 1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -17.642 6.288 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -17.296 6.520 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -18.409 9.413 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -16.855 8.951 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -16.918 10.274 2.129 1.00 0.00 H new ATOM 266 N GLU A 21 -13.652 9.284 0.199 1.00 0.00 N ATOM 267 CA GLU A 21 -12.892 10.412 -0.312 1.00 0.00 C ATOM 268 C GLU A 21 -12.405 10.124 -1.734 1.00 0.00 C ATOM 269 O GLU A 21 -11.692 9.148 -1.964 1.00 0.00 O ATOM 270 CB GLU A 21 -11.719 10.746 0.611 1.00 0.00 C ATOM 271 CG GLU A 21 -12.148 11.717 1.713 1.00 0.00 C ATOM 272 CD GLU A 21 -11.257 12.961 1.726 1.00 0.00 C ATOM 273 OE1 GLU A 21 -10.026 12.776 1.838 1.00 0.00 O ATOM 274 OE2 GLU A 21 -11.827 14.069 1.623 1.00 0.00 O ATOM 0 H GLU A 21 -13.113 8.427 0.321 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.548 11.282 -0.342 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.332 9.831 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.908 11.185 0.030 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.186 12.011 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.097 11.219 2.681 1.00 0.00 H new ATOM 281 N PRO A 22 -12.821 11.013 -2.675 1.00 0.00 N ATOM 282 CA PRO A 22 -12.436 10.864 -4.068 1.00 0.00 C ATOM 283 C PRO A 22 -10.976 11.270 -4.279 1.00 0.00 C ATOM 284 O PRO A 22 -10.673 12.073 -5.161 1.00 0.00 O ATOM 285 CB PRO A 22 -13.412 11.734 -4.842 1.00 0.00 C ATOM 286 CG PRO A 22 -14.008 12.696 -3.827 1.00 0.00 C ATOM 287 CD PRO A 22 -13.667 12.180 -2.439 1.00 0.00 C ATOM 0 HA PRO A 22 -12.488 9.830 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -12.905 12.274 -5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.189 11.129 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.607 13.699 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.088 12.764 -3.954 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.144 12.936 -1.853 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.566 11.912 -1.884 1.00 0.00 H new ATOM 295 N GLY A 23 -10.110 10.698 -3.456 1.00 0.00 N ATOM 296 CA GLY A 23 -8.690 10.991 -3.541 1.00 0.00 C ATOM 297 C GLY A 23 -7.873 9.989 -2.722 1.00 0.00 C ATOM 298 O GLY A 23 -6.804 9.557 -3.150 1.00 0.00 O ATOM 0 H GLY A 23 -10.365 10.032 -2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.371 10.961 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.501 12.002 -3.179 1.00 0.00 H new ATOM 302 N ASP A 24 -8.408 9.651 -1.558 1.00 0.00 N ATOM 303 CA ASP A 24 -7.742 8.708 -0.674 1.00 0.00 C ATOM 304 C ASP A 24 -8.006 7.283 -1.164 1.00 0.00 C ATOM 305 O ASP A 24 -9.142 6.930 -1.474 1.00 0.00 O ATOM 306 CB ASP A 24 -8.274 8.823 0.756 1.00 0.00 C ATOM 307 CG ASP A 24 -7.732 10.010 1.554 1.00 0.00 C ATOM 308 OD1 ASP A 24 -8.019 11.153 1.137 1.00 0.00 O ATOM 309 OD2 ASP A 24 -7.043 9.748 2.563 1.00 0.00 O ATOM 0 H ASP A 24 -9.294 10.013 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.676 8.934 -0.681 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.361 8.896 0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.034 7.905 1.292 1.00 0.00 H new ATOM 314 N LEU A 25 -6.936 6.503 -1.218 1.00 0.00 N ATOM 315 CA LEU A 25 -7.038 5.124 -1.665 1.00 0.00 C ATOM 316 C LEU A 25 -7.736 4.293 -0.586 1.00 0.00 C ATOM 317 O LEU A 25 -7.218 4.145 0.520 1.00 0.00 O ATOM 318 CB LEU A 25 -5.661 4.586 -2.061 1.00 0.00 C ATOM 319 CG LEU A 25 -5.657 3.300 -2.889 1.00 0.00 C ATOM 320 CD1 LEU A 25 -6.055 3.581 -4.340 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.305 2.590 -2.793 1.00 0.00 C ATOM 0 H LEU A 25 -5.995 6.800 -0.960 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.651 5.059 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.139 5.359 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.086 4.411 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.405 2.625 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.044 2.650 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.057 4.010 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.348 4.283 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.329 1.679 -3.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.521 3.248 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.100 2.336 -1.753 1.00 0.00 H new ATOM 333 N THR A 26 -8.900 3.773 -0.946 1.00 0.00 N ATOM 334 CA THR A 26 -9.674 2.961 -0.022 1.00 0.00 C ATOM 335 C THR A 26 -9.336 1.479 -0.203 1.00 0.00 C ATOM 336 O THR A 26 -9.437 0.946 -1.306 1.00 0.00 O ATOM 337 CB THR A 26 -11.155 3.277 -0.241 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.353 3.064 -1.636 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.472 4.761 -0.042 1.00 0.00 C ATOM 0 H THR A 26 -9.326 3.898 -1.864 1.00 0.00 H new ATOM 0 HA THR A 26 -9.426 3.195 1.013 1.00 0.00 H new ATOM 0 HB THR A 26 -11.759 2.681 0.444 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.712 2.397 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.536 4.931 -0.209 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.213 5.055 0.975 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.894 5.355 -0.750 1.00 0.00 H new ATOM 347 N PHE A 27 -8.942 0.857 0.899 1.00 0.00 N ATOM 348 CA PHE A 27 -8.588 -0.552 0.876 1.00 0.00 C ATOM 349 C PHE A 27 -8.866 -1.209 2.230 1.00 0.00 C ATOM 350 O PHE A 27 -9.212 -0.529 3.194 1.00 0.00 O ATOM 351 CB PHE A 27 -7.089 -0.633 0.582 1.00 0.00 C ATOM 352 CG PHE A 27 -6.219 0.154 1.564 1.00 0.00 C ATOM 353 CD1 PHE A 27 -6.107 -0.258 2.855 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.557 1.267 1.145 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.300 0.473 3.766 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.750 1.997 2.056 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.638 1.585 3.348 1.00 0.00 C ATOM 0 H PHE A 27 -8.860 1.303 1.813 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.179 -1.071 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.782 -1.679 0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.906 -0.263 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.632 -1.141 3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.646 1.594 0.120 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.212 0.146 4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.224 2.880 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.024 2.141 4.041 1.00 0.00 H new ATOM 367 N THR A 28 -8.704 -2.524 2.258 1.00 0.00 N ATOM 368 CA THR A 28 -8.933 -3.280 3.477 1.00 0.00 C ATOM 369 C THR A 28 -7.615 -3.845 4.010 1.00 0.00 C ATOM 370 O THR A 28 -6.554 -3.601 3.437 1.00 0.00 O ATOM 371 CB THR A 28 -9.978 -4.356 3.177 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.639 -4.815 1.871 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.385 -3.777 3.014 1.00 0.00 C ATOM 0 H THR A 28 -8.417 -3.085 1.456 1.00 0.00 H new ATOM 0 HA THR A 28 -9.321 -2.642 4.271 1.00 0.00 H new ATOM 0 HB THR A 28 -9.979 -5.094 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.266 -5.517 1.598 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.088 -4.583 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.679 -3.271 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.392 -3.064 2.190 1.00 0.00 H new ATOM 381 N GLU A 29 -7.725 -4.589 5.101 1.00 0.00 N ATOM 382 CA GLU A 29 -6.555 -5.191 5.717 1.00 0.00 C ATOM 383 C GLU A 29 -6.176 -6.482 4.990 1.00 0.00 C ATOM 384 O GLU A 29 -7.012 -7.367 4.813 1.00 0.00 O ATOM 385 CB GLU A 29 -6.792 -5.449 7.207 1.00 0.00 C ATOM 386 CG GLU A 29 -5.804 -6.485 7.747 1.00 0.00 C ATOM 387 CD GLU A 29 -6.484 -7.841 7.945 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.221 -7.965 8.947 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.251 -8.723 7.090 1.00 0.00 O ATOM 0 H GLU A 29 -8.606 -4.788 5.574 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.723 -4.492 5.630 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.687 -4.517 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.813 -5.799 7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.968 -6.591 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.391 -6.139 8.695 1.00 0.00 H new ATOM 396 N GLY A 30 -4.916 -6.549 4.587 1.00 0.00 N ATOM 397 CA GLY A 30 -4.416 -7.718 3.883 1.00 0.00 C ATOM 398 C GLY A 30 -4.165 -7.402 2.407 1.00 0.00 C ATOM 399 O GLY A 30 -3.400 -8.099 1.741 1.00 0.00 O ATOM 0 H GLY A 30 -4.226 -5.813 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.491 -8.059 4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.135 -8.533 3.967 1.00 0.00 H new ATOM 403 N GLU A 31 -4.824 -6.353 1.939 1.00 0.00 N ATOM 404 CA GLU A 31 -4.682 -5.937 0.554 1.00 0.00 C ATOM 405 C GLU A 31 -3.218 -5.624 0.241 1.00 0.00 C ATOM 406 O GLU A 31 -2.428 -5.362 1.147 1.00 0.00 O ATOM 407 CB GLU A 31 -5.577 -4.734 0.248 1.00 0.00 C ATOM 408 CG GLU A 31 -6.977 -5.186 -0.173 1.00 0.00 C ATOM 409 CD GLU A 31 -7.064 -5.361 -1.691 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.150 -4.321 -2.378 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.042 -6.532 -2.129 1.00 0.00 O ATOM 0 H GLU A 31 -5.458 -5.778 2.494 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.002 -6.759 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.647 -4.095 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.130 -4.136 -0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.223 -6.127 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.714 -4.453 0.155 1.00 0.00 H new ATOM 418 N GLU A 32 -2.899 -5.660 -1.045 1.00 0.00 N ATOM 419 CA GLU A 32 -1.543 -5.383 -1.488 1.00 0.00 C ATOM 420 C GLU A 32 -1.478 -4.018 -2.175 1.00 0.00 C ATOM 421 O GLU A 32 -1.870 -3.882 -3.333 1.00 0.00 O ATOM 422 CB GLU A 32 -1.034 -6.488 -2.415 1.00 0.00 C ATOM 423 CG GLU A 32 0.050 -7.323 -1.729 1.00 0.00 C ATOM 424 CD GLU A 32 0.504 -8.476 -2.627 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.244 -8.187 -3.592 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.101 -9.621 -2.327 1.00 0.00 O ATOM 0 H GLU A 32 -3.556 -5.877 -1.794 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.893 -5.359 -0.613 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.863 -7.132 -2.708 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.635 -6.046 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.903 -6.689 -1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.332 -7.719 -0.788 1.00 0.00 H new ATOM 433 N ILE A 33 -0.979 -3.041 -1.432 1.00 0.00 N ATOM 434 CA ILE A 33 -0.857 -1.690 -1.955 1.00 0.00 C ATOM 435 C ILE A 33 0.559 -1.483 -2.495 1.00 0.00 C ATOM 436 O ILE A 33 1.537 -1.669 -1.771 1.00 0.00 O ATOM 437 CB ILE A 33 -1.267 -0.666 -0.894 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.720 -0.876 -0.462 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.015 0.761 -1.385 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.850 -0.835 1.062 1.00 0.00 C ATOM 0 H ILE A 33 -0.654 -3.158 -0.472 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.542 -1.541 -2.790 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.644 -0.818 -0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.350 -0.105 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.079 -1.835 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.315 1.470 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.045 0.889 -1.603 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.596 0.943 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.892 -0.987 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.238 -1.623 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.513 0.134 1.430 1.00 0.00 H new ATOM 452 N LEU A 34 0.625 -1.102 -3.762 1.00 0.00 N ATOM 453 CA LEU A 34 1.906 -0.867 -4.407 1.00 0.00 C ATOM 454 C LEU A 34 2.245 0.623 -4.331 1.00 0.00 C ATOM 455 O LEU A 34 1.706 1.425 -5.090 1.00 0.00 O ATOM 456 CB LEU A 34 1.898 -1.424 -5.832 1.00 0.00 C ATOM 457 CG LEU A 34 3.246 -1.433 -6.556 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.190 -2.471 -5.946 1.00 0.00 C ATOM 459 CD2 LEU A 34 3.058 -1.644 -8.060 1.00 0.00 C ATOM 0 H LEU A 34 -0.188 -0.950 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 34 2.699 -1.402 -3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.519 -2.445 -5.800 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.193 -0.841 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 34 3.712 -0.457 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.140 -2.456 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.360 -2.235 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.743 -3.462 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.031 -1.646 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.561 -2.598 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.448 -0.838 -8.467 1.00 0.00 H new ATOM 471 N VAL A 35 3.139 0.947 -3.407 1.00 0.00 N ATOM 472 CA VAL A 35 3.556 2.326 -3.222 1.00 0.00 C ATOM 473 C VAL A 35 4.618 2.677 -4.266 1.00 0.00 C ATOM 474 O VAL A 35 5.556 1.912 -4.485 1.00 0.00 O ATOM 475 CB VAL A 35 4.037 2.539 -1.786 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.560 3.964 -1.588 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.927 2.218 -0.783 1.00 0.00 C ATOM 0 H VAL A 35 3.585 0.278 -2.779 1.00 0.00 H new ATOM 0 HA VAL A 35 2.715 3.003 -3.373 1.00 0.00 H new ATOM 0 HB VAL A 35 4.863 1.851 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.896 4.089 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.395 4.143 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.763 4.677 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.295 2.378 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.072 2.869 -0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.622 1.178 -0.899 1.00 0.00 H new ATOM 487 N THR A 36 4.435 3.835 -4.884 1.00 0.00 N ATOM 488 CA THR A 36 5.366 4.297 -5.900 1.00 0.00 C ATOM 489 C THR A 36 5.932 5.667 -5.521 1.00 0.00 C ATOM 490 O THR A 36 7.118 5.927 -5.715 1.00 0.00 O ATOM 491 CB THR A 36 4.638 4.291 -7.246 1.00 0.00 C ATOM 492 OG1 THR A 36 3.615 5.270 -7.091 1.00 0.00 O ATOM 493 CG2 THR A 36 3.874 2.988 -7.492 1.00 0.00 C ATOM 0 H THR A 36 3.656 4.467 -4.701 1.00 0.00 H new ATOM 0 HA THR A 36 6.228 3.634 -5.978 1.00 0.00 H new ATOM 0 HB THR A 36 5.358 4.447 -8.049 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.094 5.333 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.376 3.036 -8.460 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.571 2.150 -7.484 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.130 2.849 -6.707 1.00 0.00 H new ATOM 501 N GLN A 37 5.057 6.506 -4.988 1.00 0.00 N ATOM 502 CA GLN A 37 5.454 7.843 -4.580 1.00 0.00 C ATOM 503 C GLN A 37 5.237 8.026 -3.077 1.00 0.00 C ATOM 504 O GLN A 37 4.129 7.834 -2.579 1.00 0.00 O ATOM 505 CB GLN A 37 4.698 8.907 -5.378 1.00 0.00 C ATOM 506 CG GLN A 37 5.667 9.880 -6.052 1.00 0.00 C ATOM 507 CD GLN A 37 4.930 11.114 -6.576 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.846 11.455 -6.134 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.578 11.761 -7.541 1.00 0.00 N ATOM 0 H GLN A 37 4.074 6.286 -4.829 1.00 0.00 H new ATOM 0 HA GLN A 37 6.516 7.966 -4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.076 8.426 -6.133 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.028 9.456 -4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.435 10.185 -5.341 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.176 9.379 -6.875 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.483 11.420 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.169 12.598 -7.958 1.00 0.00 H new ATOM 518 N LYS A 38 6.312 8.396 -2.397 1.00 0.00 N ATOM 519 CA LYS A 38 6.253 8.608 -0.960 1.00 0.00 C ATOM 520 C LYS A 38 6.571 10.072 -0.651 1.00 0.00 C ATOM 521 O LYS A 38 7.732 10.477 -0.678 1.00 0.00 O ATOM 522 CB LYS A 38 7.162 7.614 -0.234 1.00 0.00 C ATOM 523 CG LYS A 38 6.928 6.188 -0.738 1.00 0.00 C ATOM 524 CD LYS A 38 7.956 5.222 -0.145 1.00 0.00 C ATOM 525 CE LYS A 38 7.443 3.781 -0.190 1.00 0.00 C ATOM 526 NZ LYS A 38 8.531 2.834 0.143 1.00 0.00 N ATOM 0 H LYS A 38 7.229 8.555 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 38 5.247 8.415 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.205 7.891 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.974 7.660 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.922 5.864 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.990 6.168 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.892 5.296 -0.699 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.172 5.503 0.886 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.619 3.660 0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.050 3.559 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.302 1.894 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.423 3.169 -0.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.633 2.772 1.176 1.00 0.00 H new ATOM 540 N ASP A 39 5.519 10.825 -0.364 1.00 0.00 N ATOM 541 CA ASP A 39 5.672 12.235 -0.050 1.00 0.00 C ATOM 542 C ASP A 39 5.356 12.461 1.429 1.00 0.00 C ATOM 543 O ASP A 39 4.191 12.463 1.826 1.00 0.00 O ATOM 544 CB ASP A 39 4.709 13.091 -0.876 1.00 0.00 C ATOM 545 CG ASP A 39 5.206 13.454 -2.277 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.382 12.512 -3.078 1.00 0.00 O ATOM 547 OD2 ASP A 39 5.397 14.667 -2.514 1.00 0.00 O ATOM 0 H ASP A 39 4.558 10.485 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 39 6.698 12.522 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.762 12.559 -0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.505 14.012 -0.329 1.00 0.00 H new ATOM 552 N GLY A 40 6.413 12.647 2.206 1.00 0.00 N ATOM 553 CA GLY A 40 6.263 12.873 3.634 1.00 0.00 C ATOM 554 C GLY A 40 5.814 11.596 4.347 1.00 0.00 C ATOM 555 O GLY A 40 6.337 10.515 4.079 1.00 0.00 O ATOM 0 H GLY A 40 7.377 12.646 1.874 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.210 13.214 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.534 13.665 3.806 1.00 0.00 H new ATOM 559 N GLU A 41 4.851 11.762 5.241 1.00 0.00 N ATOM 560 CA GLU A 41 4.326 10.636 5.995 1.00 0.00 C ATOM 561 C GLU A 41 3.331 9.846 5.144 1.00 0.00 C ATOM 562 O GLU A 41 3.335 8.616 5.159 1.00 0.00 O ATOM 563 CB GLU A 41 3.681 11.104 7.301 1.00 0.00 C ATOM 564 CG GLU A 41 3.562 9.949 8.297 1.00 0.00 C ATOM 565 CD GLU A 41 3.415 10.472 9.728 1.00 0.00 C ATOM 566 OE1 GLU A 41 2.394 11.148 9.983 1.00 0.00 O ATOM 567 OE2 GLU A 41 4.326 10.184 10.534 1.00 0.00 O ATOM 0 H GLU A 41 4.420 12.660 5.461 1.00 0.00 H new ATOM 0 HA GLU A 41 5.156 9.978 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.276 11.906 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.693 11.516 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.701 9.331 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.444 9.312 8.228 1.00 0.00 H new ATOM 574 N TRP A 42 2.500 10.584 4.422 1.00 0.00 N ATOM 575 CA TRP A 42 1.501 9.967 3.567 1.00 0.00 C ATOM 576 C TRP A 42 2.149 9.686 2.209 1.00 0.00 C ATOM 577 O TRP A 42 2.730 10.581 1.597 1.00 0.00 O ATOM 578 CB TRP A 42 0.252 10.845 3.462 1.00 0.00 C ATOM 579 CG TRP A 42 -0.642 10.805 4.703 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.328 11.156 5.958 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.018 10.375 4.758 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.396 10.984 6.814 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.457 10.494 6.061 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.865 9.901 3.741 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.754 10.159 6.467 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.158 9.570 4.162 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.615 9.684 5.470 1.00 0.00 C ATOM 0 H TRP A 42 2.499 11.604 4.412 1.00 0.00 H new ATOM 0 HA TRP A 42 1.159 9.023 3.992 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.559 11.875 3.281 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.330 10.529 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.640 11.527 6.261 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.406 11.180 7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.543 9.800 2.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.073 10.261 7.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.849 9.200 3.419 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.630 9.407 5.716 1.00 0.00 H new ATOM 598 N TRP A 43 2.028 8.439 1.779 1.00 0.00 N ATOM 599 CA TRP A 43 2.595 8.028 0.506 1.00 0.00 C ATOM 600 C TRP A 43 1.441 7.666 -0.431 1.00 0.00 C ATOM 601 O TRP A 43 0.321 7.429 0.020 1.00 0.00 O ATOM 602 CB TRP A 43 3.593 6.884 0.694 1.00 0.00 C ATOM 603 CG TRP A 43 4.586 7.105 1.837 1.00 0.00 C ATOM 604 CD1 TRP A 43 5.050 8.269 2.312 1.00 0.00 C ATOM 605 CD2 TRP A 43 5.221 6.083 2.634 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.935 8.073 3.353 1.00 0.00 N ATOM 607 CE2 TRP A 43 6.042 6.701 3.555 1.00 0.00 C ATOM 608 CE3 TRP A 43 5.106 4.683 2.578 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.811 5.998 4.490 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.881 3.995 3.519 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.713 4.602 4.453 1.00 0.00 C ATOM 0 H TRP A 43 1.546 7.699 2.290 1.00 0.00 H new ATOM 0 HA TRP A 43 3.166 8.841 0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.042 5.962 0.878 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.148 6.744 -0.234 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.767 9.238 1.929 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.421 8.800 3.878 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.470 4.178 1.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.446 6.505 5.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.829 2.916 3.520 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.281 4.000 5.147 1.00 0.00 H new ATOM 622 N THR A 44 1.753 7.636 -1.718 1.00 0.00 N ATOM 623 CA THR A 44 0.755 7.308 -2.723 1.00 0.00 C ATOM 624 C THR A 44 0.818 5.819 -3.069 1.00 0.00 C ATOM 625 O THR A 44 1.819 5.343 -3.602 1.00 0.00 O ATOM 626 CB THR A 44 0.979 8.222 -3.928 1.00 0.00 C ATOM 627 OG1 THR A 44 0.468 9.484 -3.507 1.00 0.00 O ATOM 628 CG2 THR A 44 0.101 7.843 -5.122 1.00 0.00 C ATOM 0 H THR A 44 2.683 7.833 -2.089 1.00 0.00 H new ATOM 0 HA THR A 44 -0.254 7.481 -2.350 1.00 0.00 H new ATOM 0 HB THR A 44 2.028 8.183 -4.223 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.575 10.138 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.300 8.523 -5.950 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.326 6.822 -5.429 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.949 7.914 -4.838 1.00 0.00 H new ATOM 636 N GLY A 45 -0.265 5.124 -2.752 1.00 0.00 N ATOM 637 CA GLY A 45 -0.346 3.699 -3.023 1.00 0.00 C ATOM 638 C GLY A 45 -1.249 3.420 -4.226 1.00 0.00 C ATOM 639 O GLY A 45 -1.944 4.315 -4.706 1.00 0.00 O ATOM 0 H GLY A 45 -1.094 5.522 -2.310 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.652 3.304 -3.214 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.732 3.180 -2.146 1.00 0.00 H new ATOM 643 N SER A 46 -1.210 2.176 -4.679 1.00 0.00 N ATOM 644 CA SER A 46 -2.017 1.768 -5.817 1.00 0.00 C ATOM 645 C SER A 46 -2.503 0.330 -5.625 1.00 0.00 C ATOM 646 O SER A 46 -1.865 -0.457 -4.928 1.00 0.00 O ATOM 647 CB SER A 46 -1.230 1.892 -7.123 1.00 0.00 C ATOM 648 OG SER A 46 -0.489 3.108 -7.186 1.00 0.00 O ATOM 0 H SER A 46 -0.632 1.437 -4.279 1.00 0.00 H new ATOM 0 HA SER A 46 -2.880 2.431 -5.880 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.548 1.047 -7.217 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.918 1.842 -7.967 1.00 0.00 H new ATOM 0 HG SER A 46 0.001 3.149 -8.034 1.00 0.00 H new ATOM 654 N ILE A 47 -3.629 0.031 -6.256 1.00 0.00 N ATOM 655 CA ILE A 47 -4.208 -1.299 -6.163 1.00 0.00 C ATOM 656 C ILE A 47 -4.718 -1.726 -7.541 1.00 0.00 C ATOM 657 O ILE A 47 -5.694 -1.173 -8.045 1.00 0.00 O ATOM 658 CB ILE A 47 -5.279 -1.342 -5.071 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.655 -1.181 -3.684 1.00 0.00 C ATOM 660 CG2 ILE A 47 -6.120 -2.616 -5.178 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.708 -0.767 -2.653 1.00 0.00 C ATOM 0 H ILE A 47 -4.156 0.686 -6.833 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.451 -2.024 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.953 -0.498 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.191 -2.119 -3.379 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.864 -0.432 -3.722 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.874 -2.622 -4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.611 -2.647 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.475 -3.488 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.238 -0.660 -1.676 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.152 0.183 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.485 -1.530 -2.600 1.00 0.00 H new ATOM 673 N GLY A 48 -4.032 -2.705 -8.112 1.00 0.00 N ATOM 674 CA GLY A 48 -4.403 -3.213 -9.422 1.00 0.00 C ATOM 675 C GLY A 48 -4.164 -2.159 -10.506 1.00 0.00 C ATOM 676 O GLY A 48 -3.318 -2.343 -11.380 1.00 0.00 O ATOM 0 H GLY A 48 -3.222 -3.160 -7.692 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.824 -4.109 -9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.453 -3.505 -9.419 1.00 0.00 H new ATOM 680 N ASP A 49 -4.925 -1.079 -10.414 1.00 0.00 N ATOM 681 CA ASP A 49 -4.807 0.004 -11.375 1.00 0.00 C ATOM 682 C ASP A 49 -5.465 1.262 -10.804 1.00 0.00 C ATOM 683 O ASP A 49 -5.968 2.098 -11.553 1.00 0.00 O ATOM 684 CB ASP A 49 -5.513 -0.344 -12.687 1.00 0.00 C ATOM 685 CG ASP A 49 -4.671 -1.147 -13.681 1.00 0.00 C ATOM 686 OD1 ASP A 49 -3.526 -0.714 -13.933 1.00 0.00 O ATOM 687 OD2 ASP A 49 -5.192 -2.174 -14.166 1.00 0.00 O ATOM 0 H ASP A 49 -5.626 -0.931 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.747 0.168 -11.568 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.415 -0.911 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.831 0.581 -13.168 1.00 0.00 H new ATOM 692 N ARG A 50 -5.440 1.356 -9.483 1.00 0.00 N ATOM 693 CA ARG A 50 -6.028 2.497 -8.803 1.00 0.00 C ATOM 694 C ARG A 50 -4.931 3.408 -8.249 1.00 0.00 C ATOM 695 O ARG A 50 -3.764 3.021 -8.198 1.00 0.00 O ATOM 696 CB ARG A 50 -6.935 2.048 -7.655 1.00 0.00 C ATOM 697 CG ARG A 50 -7.837 0.891 -8.090 1.00 0.00 C ATOM 698 CD ARG A 50 -8.403 0.150 -6.877 1.00 0.00 C ATOM 699 NE ARG A 50 -9.837 -0.148 -7.090 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.513 -1.096 -6.427 1.00 0.00 C ATOM 701 NH1 ARG A 50 -9.890 -1.843 -5.505 1.00 0.00 N ATOM 702 NH2 ARG A 50 -11.812 -1.297 -6.685 1.00 0.00 N ATOM 0 H ARG A 50 -5.022 0.660 -8.865 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.627 3.044 -9.532 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.326 1.740 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.547 2.886 -7.321 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.655 1.273 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.271 0.198 -8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.851 -0.776 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -8.278 0.756 -5.980 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.342 0.402 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.901 -1.690 -5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.405 -2.565 -5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -12.287 -0.728 -7.386 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.326 -2.019 -6.180 1.00 0.00 H new ATOM 716 N SER A 51 -5.343 4.602 -7.848 1.00 0.00 N ATOM 717 CA SER A 51 -4.409 5.571 -7.300 1.00 0.00 C ATOM 718 C SER A 51 -5.103 6.421 -6.234 1.00 0.00 C ATOM 719 O SER A 51 -6.280 6.753 -6.368 1.00 0.00 O ATOM 720 CB SER A 51 -3.835 6.466 -8.401 1.00 0.00 C ATOM 721 OG SER A 51 -2.438 6.253 -8.586 1.00 0.00 O ATOM 0 H SER A 51 -6.311 4.920 -7.892 1.00 0.00 H new ATOM 0 HA SER A 51 -3.582 5.028 -6.842 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.359 6.271 -9.337 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.012 7.511 -8.148 1.00 0.00 H new ATOM 0 HG SER A 51 -2.109 6.841 -9.298 1.00 0.00 H new ATOM 727 N GLY A 52 -4.345 6.749 -5.198 1.00 0.00 N ATOM 728 CA GLY A 52 -4.872 7.554 -4.110 1.00 0.00 C ATOM 729 C GLY A 52 -3.847 7.689 -2.981 1.00 0.00 C ATOM 730 O GLY A 52 -2.749 7.141 -3.066 1.00 0.00 O ATOM 0 H GLY A 52 -3.370 6.472 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.141 8.543 -4.482 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.785 7.099 -3.725 1.00 0.00 H new ATOM 734 N ILE A 53 -4.243 8.422 -1.951 1.00 0.00 N ATOM 735 CA ILE A 53 -3.372 8.636 -0.807 1.00 0.00 C ATOM 736 C ILE A 53 -3.832 7.748 0.351 1.00 0.00 C ATOM 737 O ILE A 53 -4.993 7.346 0.407 1.00 0.00 O ATOM 738 CB ILE A 53 -3.308 10.123 -0.454 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.679 10.643 -0.017 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.729 10.937 -1.613 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.536 11.783 0.994 1.00 0.00 C ATOM 0 H ILE A 53 -5.154 8.875 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.349 8.345 -1.046 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.633 10.244 0.393 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.234 10.992 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.256 9.831 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.694 11.991 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.721 10.587 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.359 10.814 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.525 12.134 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.002 11.424 1.874 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.979 12.603 0.541 1.00 0.00 H new ATOM 753 N PHE A 54 -2.897 7.468 1.247 1.00 0.00 N ATOM 754 CA PHE A 54 -3.191 6.635 2.401 1.00 0.00 C ATOM 755 C PHE A 54 -2.141 6.826 3.497 1.00 0.00 C ATOM 756 O PHE A 54 -1.054 7.339 3.238 1.00 0.00 O ATOM 757 CB PHE A 54 -3.154 5.181 1.924 1.00 0.00 C ATOM 758 CG PHE A 54 -1.744 4.642 1.680 1.00 0.00 C ATOM 759 CD1 PHE A 54 -1.028 4.118 2.710 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.205 4.687 0.431 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.281 3.617 2.484 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.104 4.186 0.205 1.00 0.00 C ATOM 763 CZ PHE A 54 0.820 3.662 1.235 1.00 0.00 C ATOM 0 H PHE A 54 -1.935 7.803 1.197 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.163 6.903 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.648 4.553 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.729 5.097 1.002 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.455 4.083 3.701 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.773 5.104 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.849 3.200 3.303 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.531 4.221 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.816 3.282 1.062 1.00 0.00 H new ATOM 773 N PRO A 55 -2.514 6.392 4.731 1.00 0.00 N ATOM 774 CA PRO A 55 -1.617 6.510 5.868 1.00 0.00 C ATOM 775 C PRO A 55 -0.502 5.464 5.799 1.00 0.00 C ATOM 776 O PRO A 55 -0.761 4.268 5.914 1.00 0.00 O ATOM 777 CB PRO A 55 -2.507 6.349 7.090 1.00 0.00 C ATOM 778 CG PRO A 55 -3.781 5.687 6.592 1.00 0.00 C ATOM 779 CD PRO A 55 -3.793 5.779 5.075 1.00 0.00 C ATOM 0 HA PRO A 55 -1.096 7.467 5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.020 5.738 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.722 7.315 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.820 4.646 6.911 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.657 6.182 7.011 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.895 4.794 4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.629 6.382 4.721 1.00 0.00 H new ATOM 787 N SER A 56 0.714 5.954 5.610 1.00 0.00 N ATOM 788 CA SER A 56 1.869 5.077 5.524 1.00 0.00 C ATOM 789 C SER A 56 2.026 4.289 6.825 1.00 0.00 C ATOM 790 O SER A 56 2.745 3.292 6.869 1.00 0.00 O ATOM 791 CB SER A 56 3.143 5.871 5.227 1.00 0.00 C ATOM 792 OG SER A 56 3.615 6.570 6.375 1.00 0.00 O ATOM 0 H SER A 56 0.925 6.947 5.514 1.00 0.00 H new ATOM 0 HA SER A 56 1.708 4.380 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.918 5.193 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.948 6.582 4.424 1.00 0.00 H new ATOM 0 HG SER A 56 3.610 7.534 6.196 1.00 0.00 H new ATOM 798 N ASN A 57 1.341 4.765 7.855 1.00 0.00 N ATOM 799 CA ASN A 57 1.395 4.117 9.154 1.00 0.00 C ATOM 800 C ASN A 57 0.400 2.956 9.182 1.00 0.00 C ATOM 801 O ASN A 57 0.292 2.249 10.183 1.00 0.00 O ATOM 802 CB ASN A 57 1.016 5.091 10.271 1.00 0.00 C ATOM 803 CG ASN A 57 1.050 4.400 11.636 1.00 0.00 C ATOM 804 OD1 ASN A 57 2.074 3.918 12.091 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.124 4.380 12.261 1.00 0.00 N ATOM 0 H ASN A 57 0.746 5.592 7.816 1.00 0.00 H new ATOM 0 HA ASN A 57 2.414 3.764 9.313 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.704 5.936 10.270 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.019 5.491 10.087 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.206 3.942 13.179 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.942 4.803 11.823 1.00 0.00 H new ATOM 812 N TYR A 58 -0.303 2.793 8.070 1.00 0.00 N ATOM 813 CA TYR A 58 -1.286 1.730 7.955 1.00 0.00 C ATOM 814 C TYR A 58 -0.914 0.759 6.832 1.00 0.00 C ATOM 815 O TYR A 58 -1.791 0.188 6.185 1.00 0.00 O ATOM 816 CB TYR A 58 -2.609 2.414 7.605 1.00 0.00 C ATOM 817 CG TYR A 58 -3.300 3.079 8.797 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.629 4.026 9.543 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.594 2.731 9.127 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.279 4.652 10.665 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.244 3.357 10.249 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.555 4.286 10.963 1.00 0.00 C ATOM 823 OH TYR A 58 -5.169 4.878 12.022 1.00 0.00 O ATOM 0 H TYR A 58 -0.211 3.380 7.241 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.344 1.159 8.882 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.425 3.167 6.838 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.284 1.676 7.172 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.616 4.298 9.285 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.119 1.989 8.544 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -2.765 5.395 11.257 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.257 3.094 10.517 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.077 4.520 12.116 1.00 0.00 H new ATOM 833 N VAL A 59 0.386 0.604 6.633 1.00 0.00 N ATOM 834 CA VAL A 59 0.885 -0.287 5.599 1.00 0.00 C ATOM 835 C VAL A 59 2.187 -0.934 6.074 1.00 0.00 C ATOM 836 O VAL A 59 3.014 -0.281 6.708 1.00 0.00 O ATOM 837 CB VAL A 59 1.042 0.476 4.282 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.275 1.138 3.872 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.168 1.507 4.377 1.00 0.00 C ATOM 0 H VAL A 59 1.110 1.081 7.171 1.00 0.00 H new ATOM 0 HA VAL A 59 0.173 -1.090 5.411 1.00 0.00 H new ATOM 0 HB VAL A 59 1.311 -0.243 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.136 1.674 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.042 0.374 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.587 1.839 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.259 2.035 3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.942 2.221 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.107 1.001 4.602 1.00 0.00 H new ATOM 849 N LYS A 60 2.329 -2.211 5.749 1.00 0.00 N ATOM 850 CA LYS A 60 3.516 -2.954 6.135 1.00 0.00 C ATOM 851 C LYS A 60 4.266 -3.397 4.876 1.00 0.00 C ATOM 852 O LYS A 60 3.666 -3.552 3.814 1.00 0.00 O ATOM 853 CB LYS A 60 3.147 -4.108 7.069 1.00 0.00 C ATOM 854 CG LYS A 60 2.347 -5.180 6.326 1.00 0.00 C ATOM 855 CD LYS A 60 2.329 -6.493 7.111 1.00 0.00 C ATOM 856 CE LYS A 60 3.086 -7.591 6.362 1.00 0.00 C ATOM 857 NZ LYS A 60 4.419 -7.808 6.969 1.00 0.00 N ATOM 0 H LYS A 60 1.641 -2.750 5.223 1.00 0.00 H new ATOM 0 HA LYS A 60 4.194 -2.319 6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.053 -4.548 7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.563 -3.729 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.326 -4.833 6.168 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.783 -5.347 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.779 -6.340 8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.299 -6.806 7.279 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.513 -8.518 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.198 -7.314 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.920 -8.556 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.969 -6.927 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.306 -8.094 7.963 1.00 0.00 H new ATOM 871 N PRO A 61 5.601 -3.593 5.042 1.00 0.00 N ATOM 872 CA PRO A 61 6.439 -4.016 3.933 1.00 0.00 C ATOM 873 C PRO A 61 6.226 -5.497 3.617 1.00 0.00 C ATOM 874 O PRO A 61 6.467 -6.357 4.463 1.00 0.00 O ATOM 875 CB PRO A 61 7.860 -3.701 4.371 1.00 0.00 C ATOM 876 CG PRO A 61 7.806 -3.547 5.882 1.00 0.00 C ATOM 877 CD PRO A 61 6.346 -3.419 6.286 1.00 0.00 C ATOM 0 HA PRO A 61 6.198 -3.499 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.543 -4.500 4.084 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.221 -2.788 3.898 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.263 -4.408 6.370 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.368 -2.667 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.071 -4.175 7.022 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.143 -2.447 6.736 1.00 0.00 H new ATOM 885 N LYS A 62 5.775 -5.751 2.397 1.00 0.00 N ATOM 886 CA LYS A 62 5.526 -7.114 1.959 1.00 0.00 C ATOM 887 C LYS A 62 6.818 -7.925 2.074 1.00 0.00 C ATOM 888 O LYS A 62 7.687 -7.840 1.208 1.00 0.00 O ATOM 889 CB LYS A 62 4.916 -7.123 0.556 1.00 0.00 C ATOM 890 CG LYS A 62 5.099 -8.486 -0.113 1.00 0.00 C ATOM 891 CD LYS A 62 3.796 -8.960 -0.759 1.00 0.00 C ATOM 892 CE LYS A 62 3.004 -9.856 0.196 1.00 0.00 C ATOM 893 NZ LYS A 62 1.844 -10.457 -0.500 1.00 0.00 N ATOM 0 H LYS A 62 5.576 -5.035 1.698 1.00 0.00 H new ATOM 0 HA LYS A 62 4.790 -7.594 2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.854 -6.883 0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.384 -6.349 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.881 -8.422 -0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.429 -9.216 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.191 -8.098 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.018 -9.506 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.650 -10.643 0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.661 -9.273 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.407 -11.176 0.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.147 -9.716 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.162 -10.902 -1.385 1.00 0.00 H new ATOM 907 N ASP A 63 6.903 -8.694 3.149 1.00 0.00 N ATOM 908 CA ASP A 63 8.073 -9.521 3.388 1.00 0.00 C ATOM 909 C ASP A 63 8.125 -10.639 2.345 1.00 0.00 C ATOM 910 O ASP A 63 7.099 -11.008 1.774 1.00 0.00 O ATOM 911 CB ASP A 63 8.017 -10.169 4.773 1.00 0.00 C ATOM 912 CG ASP A 63 9.166 -9.791 5.711 1.00 0.00 C ATOM 913 OD1 ASP A 63 10.064 -9.059 5.242 1.00 0.00 O ATOM 914 OD2 ASP A 63 9.120 -10.244 6.875 1.00 0.00 O ATOM 0 H ASP A 63 6.180 -8.762 3.865 1.00 0.00 H new ATOM 0 HA ASP A 63 8.954 -8.883 3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.075 -9.895 5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.009 -11.252 4.651 1.00 0.00 H new ATOM 919 N SER A 64 9.329 -11.147 2.127 1.00 0.00 N ATOM 920 CA SER A 64 9.527 -12.215 1.162 1.00 0.00 C ATOM 921 C SER A 64 10.427 -13.299 1.760 1.00 0.00 C ATOM 922 O SER A 64 11.277 -13.011 2.601 1.00 0.00 O ATOM 923 CB SER A 64 10.133 -11.679 -0.136 1.00 0.00 C ATOM 924 OG SER A 64 9.497 -12.227 -1.288 1.00 0.00 O ATOM 0 H SER A 64 10.177 -10.839 2.602 1.00 0.00 H new ATOM 0 HA SER A 64 8.555 -12.648 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.045 -10.593 -0.156 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.197 -11.913 -0.163 1.00 0.00 H new ATOM 0 HG SER A 64 9.911 -11.859 -2.096 1.00 0.00 H new ATOM 930 N GLY A 65 10.208 -14.523 1.302 1.00 0.00 N ATOM 931 CA GLY A 65 10.988 -15.652 1.780 1.00 0.00 C ATOM 932 C GLY A 65 11.991 -16.114 0.721 1.00 0.00 C ATOM 933 O GLY A 65 12.528 -15.299 -0.028 1.00 0.00 O ATOM 0 H GLY A 65 9.501 -14.758 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.518 -15.373 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.322 -16.475 2.039 1.00 0.00 H new ATOM 937 N PRO A 66 12.218 -17.454 0.691 1.00 0.00 N ATOM 938 CA PRO A 66 13.146 -18.035 -0.264 1.00 0.00 C ATOM 939 C PRO A 66 12.538 -18.072 -1.668 1.00 0.00 C ATOM 940 O PRO A 66 11.768 -18.975 -1.990 1.00 0.00 O ATOM 941 CB PRO A 66 13.461 -19.417 0.283 1.00 0.00 C ATOM 942 CG PRO A 66 12.349 -19.739 1.268 1.00 0.00 C ATOM 943 CD PRO A 66 11.600 -18.449 1.562 1.00 0.00 C ATOM 0 HA PRO A 66 14.058 -17.448 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.499 -20.155 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.434 -19.430 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 66 11.674 -20.486 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 66 12.761 -20.159 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.536 -18.553 1.352 1.00 0.00 H new ATOM 0 HD3 PRO A 66 11.692 -18.168 2.611 1.00 0.00 H new ATOM 951 N SER A 67 12.906 -17.079 -2.464 1.00 0.00 N ATOM 952 CA SER A 67 12.405 -16.987 -3.825 1.00 0.00 C ATOM 953 C SER A 67 12.761 -18.257 -4.601 1.00 0.00 C ATOM 954 O SER A 67 13.845 -18.812 -4.426 1.00 0.00 O ATOM 955 CB SER A 67 12.969 -15.755 -4.537 1.00 0.00 C ATOM 956 OG SER A 67 11.978 -15.087 -5.313 1.00 0.00 O ATOM 0 H SER A 67 13.545 -16.331 -2.193 1.00 0.00 H new ATOM 0 HA SER A 67 11.320 -16.886 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.377 -15.065 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.794 -16.055 -5.183 1.00 0.00 H new ATOM 0 HG SER A 67 12.377 -14.306 -5.750 1.00 0.00 H new ATOM 962 N SER A 68 11.828 -18.680 -5.440 1.00 0.00 N ATOM 963 CA SER A 68 12.029 -19.874 -6.243 1.00 0.00 C ATOM 964 C SER A 68 10.773 -20.170 -7.064 1.00 0.00 C ATOM 965 O SER A 68 9.731 -19.550 -6.857 1.00 0.00 O ATOM 966 CB SER A 68 12.384 -21.075 -5.364 1.00 0.00 C ATOM 967 OG SER A 68 13.593 -21.704 -5.783 1.00 0.00 O ATOM 0 H SER A 68 10.930 -18.217 -5.581 1.00 0.00 H new ATOM 0 HA SER A 68 12.864 -19.694 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.485 -20.749 -4.329 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.570 -21.799 -5.393 1.00 0.00 H new ATOM 0 HG SER A 68 13.786 -22.465 -5.196 1.00 0.00 H new ATOM 973 N GLY A 69 10.913 -21.119 -7.979 1.00 0.00 N ATOM 974 CA GLY A 69 9.802 -21.505 -8.833 1.00 0.00 C ATOM 975 C GLY A 69 10.247 -21.624 -10.292 1.00 0.00 C ATOM 976 O GLY A 69 10.948 -20.753 -10.804 1.00 0.00 O ATOM 0 H GLY A 69 11.779 -21.632 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.393 -22.457 -8.495 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.003 -20.768 -8.752 1.00 0.00 H new TER 980 GLY A 69