USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 441 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: B 3 THR OG1 : rot -57:sc= -0.525 USER MOD Set 1.2: B 6 GLN : amide:sc= -0.945 K(o=-1.5,f=-2.4!) USER MOD Single : A 3 THR OG1 : rot -55:sc= 0.266 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0.425 (180deg=0.354) USER MOD Single : A 6 GLN : amide:sc= -0.0989 K(o=-0.099,f=-1.5) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0998 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 87:sc= 0.187 USER MOD Single : A 26 MET CE :methyl 173:sc= -0.935 (180deg=-1.02) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 164:sc= -0.0937 (180deg=-0.45) USER MOD Single : B 14 MET CE :methyl 179:sc= 0 (180deg=-0.000503) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0855 USER MOD Single : B 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 SER OG : rot 85:sc= 0.15 USER MOD Single : B 26 MET CE :methyl 173:sc= -1.58! (180deg=-1.65!) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 0.695 -0.722 -11.939 1.00 0.00 N ATOM 32 CA THR A 3 -0.648 -0.309 -12.308 1.00 0.00 C ATOM 33 C THR A 3 -1.563 -0.314 -11.082 1.00 0.00 C ATOM 34 O THR A 3 -1.271 -0.975 -10.087 1.00 0.00 O ATOM 35 CB THR A 3 -1.133 -1.227 -13.432 1.00 0.00 C ATOM 36 OG1 THR A 3 -0.845 -2.539 -12.957 1.00 0.00 O ATOM 37 CG2 THR A 3 -0.287 -1.096 -14.700 1.00 0.00 C ATOM 0 HA THR A 3 -0.659 0.716 -12.679 1.00 0.00 H new ATOM 0 HB THR A 3 -2.173 -0.999 -13.664 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.105 -2.601 -12.724 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.673 -1.768 -15.466 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.331 -0.069 -15.063 1.00 0.00 H new ATOM 0 HG23 THR A 3 0.747 -1.357 -14.476 1.00 0.00 H new ATOM 45 N LYS A 4 -2.654 0.431 -11.194 1.00 0.00 N ATOM 46 CA LYS A 4 -3.615 0.518 -10.108 1.00 0.00 C ATOM 47 C LYS A 4 -4.094 -0.888 -9.742 1.00 0.00 C ATOM 48 O LYS A 4 -4.156 -1.240 -8.565 1.00 0.00 O ATOM 49 CB LYS A 4 -4.749 1.479 -10.472 1.00 0.00 C ATOM 50 CG LYS A 4 -4.352 2.929 -10.187 1.00 0.00 C ATOM 51 CD LYS A 4 -4.798 3.853 -11.322 1.00 0.00 C ATOM 52 CE LYS A 4 -6.297 4.145 -11.234 1.00 0.00 C ATOM 53 NZ LYS A 4 -6.696 5.122 -12.271 1.00 0.00 N ATOM 0 H LYS A 4 -2.893 0.979 -12.020 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.146 0.937 -9.217 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.000 1.368 -11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.643 1.224 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.802 3.255 -9.249 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.271 2.996 -10.062 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.239 4.787 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.570 3.391 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -6.862 3.221 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.540 4.535 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.659 5.463 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.036 5.926 -12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.674 4.665 -13.205 1.00 0.00 H new ATOM 67 N ASP A 5 -4.420 -1.654 -10.773 1.00 0.00 N ATOM 68 CA ASP A 5 -4.911 -3.007 -10.573 1.00 0.00 C ATOM 69 C ASP A 5 -3.863 -3.818 -9.810 1.00 0.00 C ATOM 70 O ASP A 5 -4.193 -4.534 -8.865 1.00 0.00 O ATOM 71 CB ASP A 5 -5.165 -3.704 -11.912 1.00 0.00 C ATOM 72 CG ASP A 5 -5.846 -2.837 -12.973 1.00 0.00 C ATOM 73 OD1 ASP A 5 -5.116 -2.060 -13.625 1.00 0.00 O ATOM 74 OD2 ASP A 5 -7.082 -2.971 -13.107 1.00 0.00 O ATOM 0 H ASP A 5 -4.354 -1.364 -11.749 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.845 -2.948 -10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.212 -4.055 -12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.781 -4.586 -11.735 1.00 0.00 H new ATOM 79 N GLN A 6 -2.620 -3.680 -10.247 1.00 0.00 N ATOM 80 CA GLN A 6 -1.525 -4.412 -9.634 1.00 0.00 C ATOM 81 C GLN A 6 -1.514 -4.184 -8.121 1.00 0.00 C ATOM 82 O GLN A 6 -1.074 -5.046 -7.363 1.00 0.00 O ATOM 83 CB GLN A 6 -0.184 -4.017 -10.258 1.00 0.00 C ATOM 84 CG GLN A 6 0.186 -4.960 -11.404 1.00 0.00 C ATOM 85 CD GLN A 6 0.651 -6.317 -10.870 1.00 0.00 C ATOM 86 OE1 GLN A 6 0.663 -6.572 -9.677 1.00 0.00 O ATOM 87 NE2 GLN A 6 1.031 -7.170 -11.817 1.00 0.00 N ATOM 0 H GLN A 6 -2.347 -3.072 -11.019 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.676 -5.475 -9.820 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.238 -2.993 -10.628 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.596 -4.040 -9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.675 -5.098 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.976 -4.513 -12.007 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.996 -6.892 -12.798 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.358 -8.102 -11.563 1.00 0.00 H new ATOM 96 N ILE A 7 -2.004 -3.017 -7.728 1.00 0.00 N ATOM 97 CA ILE A 7 -2.023 -2.650 -6.322 1.00 0.00 C ATOM 98 C ILE A 7 -3.222 -3.314 -5.642 1.00 0.00 C ATOM 99 O ILE A 7 -3.153 -3.672 -4.467 1.00 0.00 O ATOM 100 CB ILE A 7 -1.992 -1.128 -6.166 1.00 0.00 C ATOM 101 CG1 ILE A 7 -0.641 -0.559 -6.603 1.00 0.00 C ATOM 102 CG2 ILE A 7 -2.352 -0.716 -4.737 1.00 0.00 C ATOM 103 CD1 ILE A 7 -0.778 0.899 -7.049 1.00 0.00 C ATOM 0 H ILE A 7 -2.390 -2.314 -8.358 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.128 -3.017 -5.820 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.749 -0.702 -6.825 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.069 -0.626 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.238 -1.157 -7.421 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.323 0.370 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.354 -1.071 -4.497 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.636 -1.153 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.197 1.279 -7.354 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.470 0.959 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.158 1.498 -6.222 1.00 0.00 H new ATOM 115 N ILE A 8 -4.292 -3.458 -6.409 1.00 0.00 N ATOM 116 CA ILE A 8 -5.490 -4.109 -5.908 1.00 0.00 C ATOM 117 C ILE A 8 -5.148 -5.536 -5.476 1.00 0.00 C ATOM 118 O ILE A 8 -5.565 -5.983 -4.409 1.00 0.00 O ATOM 119 CB ILE A 8 -6.615 -4.032 -6.942 1.00 0.00 C ATOM 120 CG1 ILE A 8 -6.936 -2.578 -7.296 1.00 0.00 C ATOM 121 CG2 ILE A 8 -7.853 -4.793 -6.464 1.00 0.00 C ATOM 122 CD1 ILE A 8 -7.440 -1.814 -6.070 1.00 0.00 C ATOM 0 H ILE A 8 -4.354 -3.135 -7.374 1.00 0.00 H new ATOM 0 HA ILE A 8 -5.864 -3.590 -5.026 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.273 -4.518 -7.856 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.045 -2.091 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -7.690 -2.549 -8.082 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.637 -4.722 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.597 -5.840 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.208 -4.360 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.661 -0.784 -6.349 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.345 -2.289 -5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.674 -1.824 -5.295 1.00 0.00 H new ATOM 134 N GLU A 9 -4.392 -6.212 -6.329 1.00 0.00 N ATOM 135 CA GLU A 9 -4.000 -7.584 -6.055 1.00 0.00 C ATOM 136 C GLU A 9 -3.011 -7.631 -4.888 1.00 0.00 C ATOM 137 O GLU A 9 -2.777 -8.692 -4.311 1.00 0.00 O ATOM 138 CB GLU A 9 -3.408 -8.244 -7.302 1.00 0.00 C ATOM 139 CG GLU A 9 -4.473 -8.425 -8.385 1.00 0.00 C ATOM 140 CD GLU A 9 -3.833 -8.760 -9.734 1.00 0.00 C ATOM 141 OE1 GLU A 9 -3.175 -7.855 -10.291 1.00 0.00 O ATOM 142 OE2 GLU A 9 -4.015 -9.915 -10.177 1.00 0.00 O ATOM 0 H GLU A 9 -4.041 -5.835 -7.209 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.890 -8.146 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.592 -7.633 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.984 -9.213 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.159 -9.222 -8.096 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.064 -7.513 -8.475 1.00 0.00 H new ATOM 149 N ALA A 10 -2.458 -6.469 -4.576 1.00 0.00 N ATOM 150 CA ALA A 10 -1.481 -6.368 -3.505 1.00 0.00 C ATOM 151 C ALA A 10 -2.204 -6.405 -2.157 1.00 0.00 C ATOM 152 O ALA A 10 -1.751 -7.065 -1.223 1.00 0.00 O ATOM 153 CB ALA A 10 -0.652 -5.096 -3.687 1.00 0.00 C ATOM 0 H ALA A 10 -2.668 -5.588 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.792 -7.212 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.081 -5.021 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.136 -5.132 -4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.309 -4.227 -3.661 1.00 0.00 H new ATOM 159 N VAL A 11 -3.316 -5.687 -2.098 1.00 0.00 N ATOM 160 CA VAL A 11 -4.108 -5.632 -0.881 1.00 0.00 C ATOM 161 C VAL A 11 -4.815 -6.972 -0.676 1.00 0.00 C ATOM 162 O VAL A 11 -5.179 -7.321 0.446 1.00 0.00 O ATOM 163 CB VAL A 11 -5.075 -4.448 -0.939 1.00 0.00 C ATOM 164 CG1 VAL A 11 -6.139 -4.554 0.156 1.00 0.00 C ATOM 165 CG2 VAL A 11 -4.323 -3.119 -0.846 1.00 0.00 C ATOM 0 H VAL A 11 -3.687 -5.138 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.466 -5.468 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.582 -4.478 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.813 -3.700 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.707 -5.475 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.656 -4.563 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.035 -2.294 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.775 -3.076 0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.623 -3.038 -1.677 1.00 0.00 H new ATOM 175 N ALA A 12 -4.989 -7.688 -1.777 1.00 0.00 N ATOM 176 CA ALA A 12 -5.634 -8.989 -1.730 1.00 0.00 C ATOM 177 C ALA A 12 -4.576 -10.069 -1.496 1.00 0.00 C ATOM 178 O ALA A 12 -4.868 -11.261 -1.588 1.00 0.00 O ATOM 179 CB ALA A 12 -6.422 -9.216 -3.022 1.00 0.00 C ATOM 0 H ALA A 12 -4.694 -7.392 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.343 -9.036 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.906 -10.192 -2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.179 -8.439 -3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.743 -9.178 -3.874 1.00 0.00 H new ATOM 185 N ALA A 13 -3.368 -9.614 -1.197 1.00 0.00 N ATOM 186 CA ALA A 13 -2.260 -10.527 -0.968 1.00 0.00 C ATOM 187 C ALA A 13 -1.977 -10.611 0.533 1.00 0.00 C ATOM 188 O ALA A 13 -1.492 -11.632 1.020 1.00 0.00 O ATOM 189 CB ALA A 13 -1.041 -10.060 -1.766 1.00 0.00 C ATOM 0 H ALA A 13 -3.132 -8.626 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.511 -11.530 -1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.210 -10.744 -1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.285 -10.045 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.758 -9.058 -1.445 1.00 0.00 H new ATOM 195 N MET A 14 -2.291 -9.526 1.224 1.00 0.00 N ATOM 196 CA MET A 14 -2.026 -9.444 2.651 1.00 0.00 C ATOM 197 C MET A 14 -3.275 -9.792 3.462 1.00 0.00 C ATOM 198 O MET A 14 -4.367 -9.907 2.908 1.00 0.00 O ATOM 199 CB MET A 14 -1.565 -8.028 3.003 1.00 0.00 C ATOM 200 CG MET A 14 -0.325 -7.638 2.196 1.00 0.00 C ATOM 201 SD MET A 14 -0.432 -5.925 1.704 1.00 0.00 S ATOM 202 CE MET A 14 1.246 -5.655 1.159 1.00 0.00 C ATOM 0 H MET A 14 -2.727 -8.696 0.823 1.00 0.00 H new ATOM 0 HA MET A 14 -1.245 -10.162 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 14 -2.370 -7.320 2.805 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.343 -7.968 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.573 -7.798 2.793 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.240 -8.274 1.315 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.356 -4.626 0.816 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.931 -5.836 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.477 -6.337 0.341 1.00 0.00 H new ATOM 212 N SER A 15 -3.073 -9.949 4.762 1.00 0.00 N ATOM 213 CA SER A 15 -4.164 -10.307 5.652 1.00 0.00 C ATOM 214 C SER A 15 -5.049 -9.087 5.913 1.00 0.00 C ATOM 215 O SER A 15 -4.648 -7.956 5.644 1.00 0.00 O ATOM 216 CB SER A 15 -3.636 -10.873 6.972 1.00 0.00 C ATOM 217 OG SER A 15 -2.321 -10.407 7.264 1.00 0.00 O ATOM 0 H SER A 15 -2.169 -9.835 5.221 1.00 0.00 H new ATOM 0 HA SER A 15 -4.759 -11.082 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.309 -10.592 7.782 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.633 -11.962 6.924 1.00 0.00 H new ATOM 0 HG SER A 15 -2.020 -10.789 8.115 1.00 0.00 H new ATOM 223 N VAL A 16 -6.237 -9.358 6.434 1.00 0.00 N ATOM 224 CA VAL A 16 -7.190 -8.298 6.716 1.00 0.00 C ATOM 225 C VAL A 16 -6.536 -7.261 7.631 1.00 0.00 C ATOM 226 O VAL A 16 -6.678 -6.059 7.414 1.00 0.00 O ATOM 227 CB VAL A 16 -8.472 -8.890 7.303 1.00 0.00 C ATOM 228 CG1 VAL A 16 -9.366 -7.793 7.886 1.00 0.00 C ATOM 229 CG2 VAL A 16 -9.226 -9.712 6.256 1.00 0.00 C ATOM 0 H VAL A 16 -6.561 -10.296 6.668 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.476 -7.786 5.797 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.190 -9.560 8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -10.271 -8.241 8.297 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.830 -7.268 8.677 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.635 -7.087 7.100 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.134 -10.122 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.490 -9.073 5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.592 -10.528 5.908 1.00 0.00 H new ATOM 239 N MET A 17 -5.834 -7.764 8.636 1.00 0.00 N ATOM 240 CA MET A 17 -5.158 -6.896 9.586 1.00 0.00 C ATOM 241 C MET A 17 -4.279 -5.873 8.864 1.00 0.00 C ATOM 242 O MET A 17 -4.299 -4.689 9.196 1.00 0.00 O ATOM 243 CB MET A 17 -4.294 -7.741 10.524 1.00 0.00 C ATOM 244 CG MET A 17 -5.071 -8.133 11.782 1.00 0.00 C ATOM 245 SD MET A 17 -5.222 -6.725 12.870 1.00 0.00 S ATOM 246 CE MET A 17 -6.315 -7.405 14.106 1.00 0.00 C ATOM 0 H MET A 17 -5.719 -8.762 8.813 1.00 0.00 H new ATOM 0 HA MET A 17 -5.913 -6.358 10.159 1.00 0.00 H new ATOM 0 HB2 MET A 17 -3.959 -8.639 10.005 1.00 0.00 H new ATOM 0 HB3 MET A 17 -3.401 -7.182 10.803 1.00 0.00 H new ATOM 0 HG2 MET A 17 -6.060 -8.500 11.509 1.00 0.00 H new ATOM 0 HG3 MET A 17 -4.560 -8.947 12.296 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.515 -6.652 14.868 1.00 0.00 H new ATOM 0 HE2 MET A 17 -7.252 -7.705 13.637 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.846 -8.274 14.568 1.00 0.00 H new ATOM 256 N ASP A 18 -3.529 -6.366 7.890 1.00 0.00 N ATOM 257 CA ASP A 18 -2.621 -5.516 7.140 1.00 0.00 C ATOM 258 C ASP A 18 -3.422 -4.428 6.422 1.00 0.00 C ATOM 259 O ASP A 18 -2.935 -3.315 6.234 1.00 0.00 O ATOM 260 CB ASP A 18 -1.860 -6.319 6.083 1.00 0.00 C ATOM 261 CG ASP A 18 -0.749 -5.551 5.364 1.00 0.00 C ATOM 262 OD1 ASP A 18 -1.100 -4.613 4.615 1.00 0.00 O ATOM 263 OD2 ASP A 18 0.426 -5.920 5.578 1.00 0.00 O ATOM 0 H ASP A 18 -3.532 -7.345 7.603 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.910 -5.081 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.424 -7.197 6.559 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.572 -6.679 5.340 1.00 0.00 H new ATOM 268 N VAL A 19 -4.638 -4.790 6.040 1.00 0.00 N ATOM 269 CA VAL A 19 -5.492 -3.876 5.300 1.00 0.00 C ATOM 270 C VAL A 19 -6.110 -2.865 6.268 1.00 0.00 C ATOM 271 O VAL A 19 -6.392 -1.729 5.888 1.00 0.00 O ATOM 272 CB VAL A 19 -6.540 -4.663 4.509 1.00 0.00 C ATOM 273 CG1 VAL A 19 -7.454 -3.722 3.722 1.00 0.00 C ATOM 274 CG2 VAL A 19 -5.875 -5.683 3.583 1.00 0.00 C ATOM 0 H VAL A 19 -5.052 -5.703 6.229 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.908 -3.314 4.571 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.157 -5.210 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.189 -4.307 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.968 -3.052 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.857 -3.135 3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -6.641 -6.229 3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.223 -5.165 2.880 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -5.286 -6.383 4.176 1.00 0.00 H new ATOM 284 N VAL A 20 -6.302 -3.313 7.499 1.00 0.00 N ATOM 285 CA VAL A 20 -6.874 -2.460 8.526 1.00 0.00 C ATOM 286 C VAL A 20 -5.866 -1.371 8.899 1.00 0.00 C ATOM 287 O VAL A 20 -6.206 -0.189 8.928 1.00 0.00 O ATOM 288 CB VAL A 20 -7.313 -3.304 9.724 1.00 0.00 C ATOM 289 CG1 VAL A 20 -7.531 -2.430 10.961 1.00 0.00 C ATOM 290 CG2 VAL A 20 -8.569 -4.113 9.395 1.00 0.00 C ATOM 0 H VAL A 20 -6.071 -4.257 7.809 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.768 -1.961 8.153 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.512 -4.008 9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.842 -3.055 11.798 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.601 -1.920 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.305 -1.691 10.753 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.859 -4.704 10.264 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.380 -3.434 9.130 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.364 -4.778 8.556 1.00 0.00 H new ATOM 300 N GLU A 21 -4.646 -1.808 9.174 1.00 0.00 N ATOM 301 CA GLU A 21 -3.585 -0.884 9.539 1.00 0.00 C ATOM 302 C GLU A 21 -3.323 0.101 8.398 1.00 0.00 C ATOM 303 O GLU A 21 -3.218 1.305 8.625 1.00 0.00 O ATOM 304 CB GLU A 21 -2.309 -1.638 9.917 1.00 0.00 C ATOM 305 CG GLU A 21 -2.431 -2.261 11.309 1.00 0.00 C ATOM 306 CD GLU A 21 -2.422 -1.183 12.395 1.00 0.00 C ATOM 307 OE1 GLU A 21 -1.372 -0.517 12.523 1.00 0.00 O ATOM 308 OE2 GLU A 21 -3.464 -1.050 13.072 1.00 0.00 O ATOM 0 H GLU A 21 -4.368 -2.789 9.152 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.906 -0.318 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.112 -2.418 9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.459 -0.956 9.893 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.353 -2.839 11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.607 -2.955 11.474 1.00 0.00 H new ATOM 315 N LEU A 22 -3.225 -0.448 7.196 1.00 0.00 N ATOM 316 CA LEU A 22 -2.974 0.367 6.020 1.00 0.00 C ATOM 317 C LEU A 22 -4.053 1.448 5.914 1.00 0.00 C ATOM 318 O LEU A 22 -3.756 2.637 6.008 1.00 0.00 O ATOM 319 CB LEU A 22 -2.860 -0.512 4.773 1.00 0.00 C ATOM 320 CG LEU A 22 -2.443 0.201 3.485 1.00 0.00 C ATOM 321 CD1 LEU A 22 -0.935 0.458 3.465 1.00 0.00 C ATOM 322 CD2 LEU A 22 -2.909 -0.576 2.253 1.00 0.00 C ATOM 0 H LEU A 22 -3.315 -1.447 7.011 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.016 0.879 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.139 -1.304 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.823 -0.993 4.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.936 1.173 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.665 0.966 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.661 1.083 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.403 -0.491 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.600 -0.048 1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.465 -1.571 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.995 -0.664 2.268 1.00 0.00 H new ATOM 334 N ILE A 23 -5.282 0.994 5.719 1.00 0.00 N ATOM 335 CA ILE A 23 -6.399 1.908 5.551 1.00 0.00 C ATOM 336 C ILE A 23 -6.397 2.925 6.694 1.00 0.00 C ATOM 337 O ILE A 23 -6.663 4.106 6.479 1.00 0.00 O ATOM 338 CB ILE A 23 -7.712 1.132 5.420 1.00 0.00 C ATOM 339 CG1 ILE A 23 -7.775 0.382 4.088 1.00 0.00 C ATOM 340 CG2 ILE A 23 -8.916 2.055 5.617 1.00 0.00 C ATOM 341 CD1 ILE A 23 -7.793 1.359 2.910 1.00 0.00 C ATOM 0 H ILE A 23 -5.529 0.005 5.674 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.294 2.471 4.623 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.748 0.384 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.916 -0.284 4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.667 -0.243 4.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.836 1.479 5.519 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.872 2.503 6.610 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.899 2.842 4.863 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.838 0.801 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.666 2.007 2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.888 1.966 2.927 1.00 0.00 H new ATOM 353 N SER A 24 -6.095 2.428 7.885 1.00 0.00 N ATOM 354 CA SER A 24 -6.108 3.267 9.071 1.00 0.00 C ATOM 355 C SER A 24 -5.072 4.384 8.933 1.00 0.00 C ATOM 356 O SER A 24 -5.325 5.522 9.324 1.00 0.00 O ATOM 357 CB SER A 24 -5.836 2.443 10.331 1.00 0.00 C ATOM 358 OG SER A 24 -7.028 1.871 10.863 1.00 0.00 O ATOM 0 H SER A 24 -5.840 1.455 8.054 1.00 0.00 H new ATOM 0 HA SER A 24 -7.099 3.710 9.166 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.126 1.650 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.370 3.077 11.085 1.00 0.00 H new ATOM 0 HG SER A 24 -7.195 1.006 10.434 1.00 0.00 H new ATOM 364 N ALA A 25 -3.926 4.020 8.376 1.00 0.00 N ATOM 365 CA ALA A 25 -2.840 4.970 8.208 1.00 0.00 C ATOM 366 C ALA A 25 -3.306 6.114 7.304 1.00 0.00 C ATOM 367 O ALA A 25 -3.354 7.267 7.731 1.00 0.00 O ATOM 368 CB ALA A 25 -1.612 4.249 7.649 1.00 0.00 C ATOM 0 H ALA A 25 -3.726 3.080 8.035 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.555 5.402 9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.797 4.962 7.523 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.304 3.465 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.858 3.805 6.684 1.00 0.00 H new ATOM 374 N MET A 26 -3.636 5.756 6.073 1.00 0.00 N ATOM 375 CA MET A 26 -4.074 6.741 5.099 1.00 0.00 C ATOM 376 C MET A 26 -5.196 7.613 5.667 1.00 0.00 C ATOM 377 O MET A 26 -5.190 8.831 5.492 1.00 0.00 O ATOM 378 CB MET A 26 -4.570 6.029 3.839 1.00 0.00 C ATOM 379 CG MET A 26 -3.405 5.409 3.065 1.00 0.00 C ATOM 380 SD MET A 26 -4.006 4.628 1.577 1.00 0.00 S ATOM 381 CE MET A 26 -2.671 3.485 1.266 1.00 0.00 C ATOM 0 H MET A 26 -3.609 4.797 5.727 1.00 0.00 H new ATOM 0 HA MET A 26 -3.228 7.383 4.855 1.00 0.00 H new ATOM 0 HB2 MET A 26 -5.284 5.252 4.113 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.099 6.737 3.201 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.675 6.178 2.812 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.893 4.676 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.940 2.827 0.440 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.769 4.040 1.009 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.487 2.888 2.160 1.00 0.00 H new ATOM 391 N GLU A 27 -6.132 6.956 6.336 1.00 0.00 N ATOM 392 CA GLU A 27 -7.270 7.652 6.910 1.00 0.00 C ATOM 393 C GLU A 27 -6.799 8.861 7.721 1.00 0.00 C ATOM 394 O GLU A 27 -7.327 9.961 7.566 1.00 0.00 O ATOM 395 CB GLU A 27 -8.112 6.709 7.772 1.00 0.00 C ATOM 396 CG GLU A 27 -9.183 6.009 6.933 1.00 0.00 C ATOM 397 CD GLU A 27 -10.067 5.117 7.806 1.00 0.00 C ATOM 398 OE1 GLU A 27 -9.508 4.167 8.395 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.282 5.404 7.865 1.00 0.00 O ATOM 0 H GLU A 27 -6.125 5.948 6.493 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.901 8.008 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.467 5.965 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.585 7.271 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.798 6.753 6.427 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.708 5.408 6.157 1.00 0.00 H new ATOM 406 N GLU A 28 -5.809 8.617 8.567 1.00 0.00 N ATOM 407 CA GLU A 28 -5.301 9.657 9.445 1.00 0.00 C ATOM 408 C GLU A 28 -4.369 10.594 8.674 1.00 0.00 C ATOM 409 O GLU A 28 -4.535 11.812 8.714 1.00 0.00 O ATOM 410 CB GLU A 28 -4.590 9.052 10.658 1.00 0.00 C ATOM 411 CG GLU A 28 -4.431 10.088 11.772 1.00 0.00 C ATOM 412 CD GLU A 28 -3.430 9.610 12.826 1.00 0.00 C ATOM 413 OE1 GLU A 28 -3.864 8.843 13.713 1.00 0.00 O ATOM 414 OE2 GLU A 28 -2.255 10.022 12.721 1.00 0.00 O ATOM 0 H GLU A 28 -5.345 7.714 8.663 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.146 10.239 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.158 8.198 11.028 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.610 8.679 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.094 11.034 11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.397 10.274 12.241 1.00 0.00 H new ATOM 421 N LYS A 29 -3.408 9.989 7.991 1.00 0.00 N ATOM 422 CA LYS A 29 -2.427 10.756 7.241 1.00 0.00 C ATOM 423 C LYS A 29 -3.148 11.791 6.375 1.00 0.00 C ATOM 424 O LYS A 29 -3.030 12.992 6.610 1.00 0.00 O ATOM 425 CB LYS A 29 -1.510 9.822 6.448 1.00 0.00 C ATOM 426 CG LYS A 29 -0.553 10.619 5.559 1.00 0.00 C ATOM 427 CD LYS A 29 0.840 9.985 5.547 1.00 0.00 C ATOM 428 CE LYS A 29 1.712 10.600 4.451 1.00 0.00 C ATOM 429 NZ LYS A 29 2.121 11.973 4.822 1.00 0.00 N ATOM 0 H LYS A 29 -3.288 8.977 7.941 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.775 11.306 7.919 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.939 9.197 7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.111 9.152 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.946 10.662 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.486 11.646 5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.316 10.126 6.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.753 8.910 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.595 9.982 4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.163 10.620 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.712 12.375 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.275 12.564 4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.663 11.946 5.709 1.00 0.00 H new ATOM 443 N PHE A 30 -3.880 11.286 5.392 1.00 0.00 N ATOM 444 CA PHE A 30 -4.575 12.153 4.456 1.00 0.00 C ATOM 445 C PHE A 30 -5.803 12.792 5.109 1.00 0.00 C ATOM 446 O PHE A 30 -6.443 13.660 4.518 1.00 0.00 O ATOM 447 CB PHE A 30 -5.031 11.276 3.289 1.00 0.00 C ATOM 448 CG PHE A 30 -3.890 10.786 2.395 1.00 0.00 C ATOM 449 CD1 PHE A 30 -3.409 11.586 1.406 1.00 0.00 C ATOM 450 CD2 PHE A 30 -3.356 9.550 2.591 1.00 0.00 C ATOM 451 CE1 PHE A 30 -2.349 11.131 0.577 1.00 0.00 C ATOM 452 CE2 PHE A 30 -2.297 9.095 1.762 1.00 0.00 C ATOM 453 CZ PHE A 30 -1.816 9.895 0.773 1.00 0.00 C ATOM 0 H PHE A 30 -4.007 10.288 5.224 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.913 12.954 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.565 10.412 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.740 11.838 2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.833 12.567 1.251 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.738 8.915 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.967 11.766 -0.208 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.873 8.114 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.010 9.549 0.143 1.00 0.00 H new ATOM 463 N GLY A 31 -6.094 12.337 6.319 1.00 0.00 N ATOM 464 CA GLY A 31 -7.222 12.867 7.066 1.00 0.00 C ATOM 465 C GLY A 31 -8.471 12.951 6.186 1.00 0.00 C ATOM 466 O GLY A 31 -9.211 13.932 6.244 1.00 0.00 O ATOM 0 H GLY A 31 -5.568 11.607 6.800 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.422 12.232 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.976 13.857 7.450 1.00 0.00 H new ATOM 568 N THR B 3 6.493 -2.905 2.750 1.00 0.00 N ATOM 569 CA THR B 3 5.906 -2.619 4.048 1.00 0.00 C ATOM 570 C THR B 3 4.663 -1.740 3.889 1.00 0.00 C ATOM 571 O THR B 3 4.492 -1.079 2.866 1.00 0.00 O ATOM 572 CB THR B 3 6.987 -1.988 4.927 1.00 0.00 C ATOM 573 OG1 THR B 3 7.465 -0.889 4.156 1.00 0.00 O ATOM 574 CG2 THR B 3 8.212 -2.891 5.087 1.00 0.00 C ATOM 0 HA THR B 3 5.561 -3.531 4.536 1.00 0.00 H new ATOM 0 HB THR B 3 6.570 -1.763 5.909 1.00 0.00 H new ATOM 0 HG1 THR B 3 7.781 -1.212 3.286 1.00 0.00 H new ATOM 0 HG21 THR B 3 8.949 -2.396 5.720 1.00 0.00 H new ATOM 0 HG22 THR B 3 7.912 -3.832 5.547 1.00 0.00 H new ATOM 0 HG23 THR B 3 8.649 -3.089 4.108 1.00 0.00 H new ATOM 582 N LYS B 4 3.827 -1.762 4.917 1.00 0.00 N ATOM 583 CA LYS B 4 2.600 -0.984 4.900 1.00 0.00 C ATOM 584 C LYS B 4 2.934 0.482 4.617 1.00 0.00 C ATOM 585 O LYS B 4 2.277 1.125 3.800 1.00 0.00 O ATOM 586 CB LYS B 4 1.813 -1.196 6.195 1.00 0.00 C ATOM 587 CG LYS B 4 0.916 -2.432 6.096 1.00 0.00 C ATOM 588 CD LYS B 4 0.218 -2.712 7.428 1.00 0.00 C ATOM 589 CE LYS B 4 0.954 -3.797 8.216 1.00 0.00 C ATOM 590 NZ LYS B 4 2.236 -3.277 8.742 1.00 0.00 N ATOM 0 H LYS B 4 3.975 -2.306 5.767 1.00 0.00 H new ATOM 0 HA LYS B 4 1.946 -1.323 4.097 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.504 -1.310 7.030 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.204 -0.316 6.403 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.170 -2.283 5.315 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.513 -3.296 5.806 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.173 -1.797 8.018 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.810 -3.025 7.245 1.00 0.00 H new ATOM 0 HE2 LYS B 4 0.330 -4.143 9.040 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.140 -4.658 7.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.590 -3.913 9.484 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.932 -3.224 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 2.088 -2.328 9.141 1.00 0.00 H new ATOM 604 N ASP B 5 3.956 0.967 5.308 1.00 0.00 N ATOM 605 CA ASP B 5 4.352 2.359 5.180 1.00 0.00 C ATOM 606 C ASP B 5 4.699 2.654 3.719 1.00 0.00 C ATOM 607 O ASP B 5 4.225 3.636 3.151 1.00 0.00 O ATOM 608 CB ASP B 5 5.587 2.660 6.030 1.00 0.00 C ATOM 609 CG ASP B 5 5.579 2.037 7.428 1.00 0.00 C ATOM 610 OD1 ASP B 5 5.852 0.820 7.508 1.00 0.00 O ATOM 611 OD2 ASP B 5 5.298 2.792 8.383 1.00 0.00 O ATOM 0 H ASP B 5 4.521 0.421 5.958 1.00 0.00 H new ATOM 0 HA ASP B 5 3.522 2.979 5.519 1.00 0.00 H new ATOM 0 HB2 ASP B 5 6.470 2.308 5.497 1.00 0.00 H new ATOM 0 HB3 ASP B 5 5.685 3.741 6.131 1.00 0.00 H new ATOM 616 N GLN B 6 5.524 1.785 3.154 1.00 0.00 N ATOM 617 CA GLN B 6 5.972 1.962 1.783 1.00 0.00 C ATOM 618 C GLN B 6 4.772 2.161 0.854 1.00 0.00 C ATOM 619 O GLN B 6 4.895 2.785 -0.199 1.00 0.00 O ATOM 620 CB GLN B 6 6.827 0.778 1.328 1.00 0.00 C ATOM 621 CG GLN B 6 8.316 1.126 1.379 1.00 0.00 C ATOM 622 CD GLN B 6 8.767 1.397 2.815 1.00 0.00 C ATOM 623 OE1 GLN B 6 8.350 2.348 3.455 1.00 0.00 O ATOM 624 NE2 GLN B 6 9.641 0.511 3.284 1.00 0.00 N ATOM 0 H GLN B 6 5.894 0.957 3.620 1.00 0.00 H new ATOM 0 HA GLN B 6 6.594 2.856 1.737 1.00 0.00 H new ATOM 0 HB2 GLN B 6 6.629 -0.084 1.965 1.00 0.00 H new ATOM 0 HB3 GLN B 6 6.551 0.494 0.313 1.00 0.00 H new ATOM 0 HG2 GLN B 6 8.899 0.306 0.960 1.00 0.00 H new ATOM 0 HG3 GLN B 6 8.509 2.003 0.762 1.00 0.00 H new ATOM 0 HE21 GLN B 6 9.949 -0.263 2.695 1.00 0.00 H new ATOM 0 HE22 GLN B 6 10.003 0.605 4.233 1.00 0.00 H new ATOM 633 N ILE B 7 3.640 1.618 1.277 1.00 0.00 N ATOM 634 CA ILE B 7 2.429 1.694 0.478 1.00 0.00 C ATOM 635 C ILE B 7 1.764 3.055 0.695 1.00 0.00 C ATOM 636 O ILE B 7 1.152 3.604 -0.220 1.00 0.00 O ATOM 637 CB ILE B 7 1.513 0.507 0.780 1.00 0.00 C ATOM 638 CG1 ILE B 7 2.212 -0.818 0.470 1.00 0.00 C ATOM 639 CG2 ILE B 7 0.181 0.640 0.038 1.00 0.00 C ATOM 640 CD1 ILE B 7 2.153 -1.133 -1.026 1.00 0.00 C ATOM 0 H ILE B 7 3.536 1.123 2.163 1.00 0.00 H new ATOM 0 HA ILE B 7 2.668 1.621 -0.583 1.00 0.00 H new ATOM 0 HB ILE B 7 1.289 0.511 1.847 1.00 0.00 H new ATOM 0 HG12 ILE B 7 3.252 -0.769 0.794 1.00 0.00 H new ATOM 0 HG13 ILE B 7 1.740 -1.623 1.033 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -0.452 -0.217 0.270 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -0.320 1.556 0.351 1.00 0.00 H new ATOM 0 HG23 ILE B 7 0.365 0.675 -1.036 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.657 -2.080 -1.219 1.00 0.00 H new ATOM 0 HD12 ILE B 7 1.112 -1.205 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.647 -0.338 -1.585 1.00 0.00 H new ATOM 652 N ILE B 8 1.907 3.560 1.912 1.00 0.00 N ATOM 653 CA ILE B 8 1.339 4.852 2.257 1.00 0.00 C ATOM 654 C ILE B 8 1.927 5.925 1.338 1.00 0.00 C ATOM 655 O ILE B 8 1.197 6.764 0.811 1.00 0.00 O ATOM 656 CB ILE B 8 1.536 5.143 3.746 1.00 0.00 C ATOM 657 CG1 ILE B 8 0.943 4.026 4.606 1.00 0.00 C ATOM 658 CG2 ILE B 8 0.967 6.515 4.117 1.00 0.00 C ATOM 659 CD1 ILE B 8 -0.577 3.961 4.449 1.00 0.00 C ATOM 0 H ILE B 8 2.408 3.098 2.671 1.00 0.00 H new ATOM 0 HA ILE B 8 0.261 4.849 2.096 1.00 0.00 H new ATOM 0 HB ILE B 8 2.606 5.172 3.949 1.00 0.00 H new ATOM 0 HG12 ILE B 8 1.383 3.070 4.321 1.00 0.00 H new ATOM 0 HG13 ILE B 8 1.197 4.194 5.653 1.00 0.00 H new ATOM 0 HG21 ILE B 8 1.120 6.697 5.181 1.00 0.00 H new ATOM 0 HG22 ILE B 8 1.475 7.288 3.540 1.00 0.00 H new ATOM 0 HG23 ILE B 8 -0.100 6.539 3.895 1.00 0.00 H new ATOM 0 HD11 ILE B 8 -0.973 3.158 5.071 1.00 0.00 H new ATOM 0 HD12 ILE B 8 -1.016 4.910 4.758 1.00 0.00 H new ATOM 0 HD13 ILE B 8 -0.827 3.768 3.406 1.00 0.00 H new ATOM 671 N GLU B 9 3.240 5.863 1.173 1.00 0.00 N ATOM 672 CA GLU B 9 3.937 6.834 0.347 1.00 0.00 C ATOM 673 C GLU B 9 3.564 6.644 -1.125 1.00 0.00 C ATOM 674 O GLU B 9 3.810 7.522 -1.950 1.00 0.00 O ATOM 675 CB GLU B 9 5.451 6.738 0.546 1.00 0.00 C ATOM 676 CG GLU B 9 5.845 7.163 1.962 1.00 0.00 C ATOM 677 CD GLU B 9 5.595 8.657 2.175 1.00 0.00 C ATOM 678 OE1 GLU B 9 6.399 9.450 1.638 1.00 0.00 O ATOM 679 OE2 GLU B 9 4.605 8.973 2.870 1.00 0.00 O ATOM 0 H GLU B 9 3.840 5.155 1.597 1.00 0.00 H new ATOM 0 HA GLU B 9 3.626 7.833 0.654 1.00 0.00 H new ATOM 0 HB2 GLU B 9 5.781 5.715 0.364 1.00 0.00 H new ATOM 0 HB3 GLU B 9 5.958 7.371 -0.182 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.274 6.588 2.691 1.00 0.00 H new ATOM 0 HG3 GLU B 9 6.898 6.939 2.133 1.00 0.00 H new ATOM 686 N ALA B 10 2.977 5.490 -1.409 1.00 0.00 N ATOM 687 CA ALA B 10 2.600 5.158 -2.773 1.00 0.00 C ATOM 688 C ALA B 10 1.350 5.951 -3.159 1.00 0.00 C ATOM 689 O ALA B 10 1.259 6.472 -4.269 1.00 0.00 O ATOM 690 CB ALA B 10 2.392 3.647 -2.892 1.00 0.00 C ATOM 0 H ALA B 10 2.753 4.774 -0.718 1.00 0.00 H new ATOM 0 HA ALA B 10 3.393 5.433 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA B 10 2.109 3.398 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA B 10 3.317 3.131 -2.635 1.00 0.00 H new ATOM 0 HB3 ALA B 10 1.601 3.334 -2.211 1.00 0.00 H new ATOM 696 N VAL B 11 0.417 6.018 -2.220 1.00 0.00 N ATOM 697 CA VAL B 11 -0.827 6.731 -2.451 1.00 0.00 C ATOM 698 C VAL B 11 -0.560 8.237 -2.422 1.00 0.00 C ATOM 699 O VAL B 11 -1.340 9.020 -2.961 1.00 0.00 O ATOM 700 CB VAL B 11 -1.880 6.291 -1.431 1.00 0.00 C ATOM 701 CG1 VAL B 11 -3.019 7.309 -1.346 1.00 0.00 C ATOM 702 CG2 VAL B 11 -2.414 4.896 -1.762 1.00 0.00 C ATOM 0 H VAL B 11 0.498 5.590 -1.298 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.227 6.491 -3.436 1.00 0.00 H new ATOM 0 HB VAL B 11 -1.401 6.242 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.754 6.973 -0.614 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -2.620 8.277 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.496 7.404 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -3.161 4.607 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -2.870 4.906 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.593 4.179 -1.748 1.00 0.00 H new ATOM 712 N ALA B 12 0.546 8.597 -1.787 1.00 0.00 N ATOM 713 CA ALA B 12 0.936 9.994 -1.696 1.00 0.00 C ATOM 714 C ALA B 12 1.811 10.354 -2.898 1.00 0.00 C ATOM 715 O ALA B 12 2.445 11.408 -2.916 1.00 0.00 O ATOM 716 CB ALA B 12 1.646 10.241 -0.364 1.00 0.00 C ATOM 0 H ALA B 12 1.184 7.945 -1.331 1.00 0.00 H new ATOM 0 HA ALA B 12 0.058 10.639 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA B 12 1.938 11.289 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA B 12 0.972 9.998 0.458 1.00 0.00 H new ATOM 0 HB3 ALA B 12 2.534 9.612 -0.303 1.00 0.00 H new ATOM 722 N ALA B 13 1.818 9.458 -3.874 1.00 0.00 N ATOM 723 CA ALA B 13 2.609 9.665 -5.075 1.00 0.00 C ATOM 724 C ALA B 13 1.675 9.951 -6.253 1.00 0.00 C ATOM 725 O ALA B 13 2.059 10.629 -7.204 1.00 0.00 O ATOM 726 CB ALA B 13 3.498 8.444 -5.319 1.00 0.00 C ATOM 0 H ALA B 13 1.288 8.587 -3.857 1.00 0.00 H new ATOM 0 HA ALA B 13 3.265 10.527 -4.958 1.00 0.00 H new ATOM 0 HB1 ALA B 13 4.091 8.600 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA B 13 4.163 8.302 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA B 13 2.874 7.559 -5.444 1.00 0.00 H new ATOM 732 N MET B 14 0.466 9.419 -6.150 1.00 0.00 N ATOM 733 CA MET B 14 -0.519 9.588 -7.205 1.00 0.00 C ATOM 734 C MET B 14 -1.484 10.728 -6.876 1.00 0.00 C ATOM 735 O MET B 14 -1.477 11.251 -5.763 1.00 0.00 O ATOM 736 CB MET B 14 -1.305 8.288 -7.384 1.00 0.00 C ATOM 737 CG MET B 14 -0.384 7.145 -7.815 1.00 0.00 C ATOM 738 SD MET B 14 -0.488 5.802 -6.644 1.00 0.00 S ATOM 739 CE MET B 14 -2.047 5.084 -7.133 1.00 0.00 C ATOM 0 H MET B 14 0.146 8.870 -5.352 1.00 0.00 H new ATOM 0 HA MET B 14 0.004 9.835 -8.129 1.00 0.00 H new ATOM 0 HB2 MET B 14 -1.801 8.027 -6.449 1.00 0.00 H new ATOM 0 HB3 MET B 14 -2.086 8.431 -8.130 1.00 0.00 H new ATOM 0 HG2 MET B 14 -0.666 6.795 -8.808 1.00 0.00 H new ATOM 0 HG3 MET B 14 0.644 7.501 -7.882 1.00 0.00 H new ATOM 0 HE1 MET B 14 -2.259 4.215 -6.510 1.00 0.00 H new ATOM 0 HE2 MET B 14 -2.841 5.820 -7.010 1.00 0.00 H new ATOM 0 HE3 MET B 14 -1.995 4.778 -8.178 1.00 0.00 H new ATOM 749 N SER B 15 -2.293 11.080 -7.865 1.00 0.00 N ATOM 750 CA SER B 15 -3.252 12.160 -7.699 1.00 0.00 C ATOM 751 C SER B 15 -4.468 11.663 -6.915 1.00 0.00 C ATOM 752 O SER B 15 -4.653 10.459 -6.745 1.00 0.00 O ATOM 753 CB SER B 15 -3.687 12.722 -9.054 1.00 0.00 C ATOM 754 OG SER B 15 -3.540 11.767 -10.101 1.00 0.00 O ATOM 0 H SER B 15 -2.304 10.637 -8.784 1.00 0.00 H new ATOM 0 HA SER B 15 -2.771 12.963 -7.140 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.728 13.040 -8.997 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.095 13.608 -9.286 1.00 0.00 H new ATOM 0 HG SER B 15 -3.830 12.164 -10.949 1.00 0.00 H new ATOM 760 N VAL B 16 -5.267 12.617 -6.458 1.00 0.00 N ATOM 761 CA VAL B 16 -6.448 12.293 -5.676 1.00 0.00 C ATOM 762 C VAL B 16 -7.411 11.468 -6.531 1.00 0.00 C ATOM 763 O VAL B 16 -7.949 10.462 -6.072 1.00 0.00 O ATOM 764 CB VAL B 16 -7.081 13.574 -5.129 1.00 0.00 C ATOM 765 CG1 VAL B 16 -8.385 13.268 -4.390 1.00 0.00 C ATOM 766 CG2 VAL B 16 -6.102 14.327 -4.226 1.00 0.00 C ATOM 0 H VAL B 16 -5.119 13.614 -6.615 1.00 0.00 H new ATOM 0 HA VAL B 16 -6.179 11.685 -4.812 1.00 0.00 H new ATOM 0 HB VAL B 16 -7.319 14.219 -5.975 1.00 0.00 H new ATOM 0 HG11 VAL B 16 -8.815 14.195 -4.011 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -9.089 12.795 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -8.182 12.595 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL B 16 -6.577 15.233 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL B 16 -5.819 13.692 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL B 16 -5.212 14.593 -4.796 1.00 0.00 H new ATOM 776 N MET B 17 -7.599 11.924 -7.761 1.00 0.00 N ATOM 777 CA MET B 17 -8.496 11.247 -8.682 1.00 0.00 C ATOM 778 C MET B 17 -8.031 9.813 -8.945 1.00 0.00 C ATOM 779 O MET B 17 -8.831 8.880 -8.902 1.00 0.00 O ATOM 780 CB MET B 17 -8.549 12.017 -10.003 1.00 0.00 C ATOM 781 CG MET B 17 -9.670 13.058 -9.986 1.00 0.00 C ATOM 782 SD MET B 17 -9.191 14.453 -8.980 1.00 0.00 S ATOM 783 CE MET B 17 -10.640 15.480 -9.164 1.00 0.00 C ATOM 0 H MET B 17 -7.145 12.755 -8.141 1.00 0.00 H new ATOM 0 HA MET B 17 -9.488 11.211 -8.233 1.00 0.00 H new ATOM 0 HB2 MET B 17 -7.593 12.510 -10.179 1.00 0.00 H new ATOM 0 HB3 MET B 17 -8.706 11.322 -10.827 1.00 0.00 H new ATOM 0 HG2 MET B 17 -9.886 13.389 -11.002 1.00 0.00 H new ATOM 0 HG3 MET B 17 -10.585 12.613 -9.594 1.00 0.00 H new ATOM 0 HE1 MET B 17 -10.508 16.400 -8.595 1.00 0.00 H new ATOM 0 HE2 MET B 17 -10.783 15.722 -10.217 1.00 0.00 H new ATOM 0 HE3 MET B 17 -11.514 14.946 -8.792 1.00 0.00 H new ATOM 793 N ASP B 18 -6.740 9.683 -9.212 1.00 0.00 N ATOM 794 CA ASP B 18 -6.163 8.382 -9.505 1.00 0.00 C ATOM 795 C ASP B 18 -6.321 7.473 -8.285 1.00 0.00 C ATOM 796 O ASP B 18 -6.449 6.257 -8.424 1.00 0.00 O ATOM 797 CB ASP B 18 -4.670 8.499 -9.818 1.00 0.00 C ATOM 798 CG ASP B 18 -4.072 7.308 -10.570 1.00 0.00 C ATOM 799 OD1 ASP B 18 -4.464 7.122 -11.742 1.00 0.00 O ATOM 800 OD2 ASP B 18 -3.236 6.611 -9.955 1.00 0.00 O ATOM 0 H ASP B 18 -6.077 10.458 -9.232 1.00 0.00 H new ATOM 0 HA ASP B 18 -6.681 7.970 -10.371 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -4.507 9.401 -10.408 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -4.127 8.628 -8.882 1.00 0.00 H new ATOM 805 N VAL B 19 -6.305 8.097 -7.116 1.00 0.00 N ATOM 806 CA VAL B 19 -6.406 7.355 -5.870 1.00 0.00 C ATOM 807 C VAL B 19 -7.866 6.963 -5.632 1.00 0.00 C ATOM 808 O VAL B 19 -8.144 5.913 -5.055 1.00 0.00 O ATOM 809 CB VAL B 19 -5.812 8.175 -4.723 1.00 0.00 C ATOM 810 CG1 VAL B 19 -6.259 7.624 -3.367 1.00 0.00 C ATOM 811 CG2 VAL B 19 -4.286 8.227 -4.819 1.00 0.00 C ATOM 0 H VAL B 19 -6.224 9.108 -7.005 1.00 0.00 H new ATOM 0 HA VAL B 19 -5.827 6.433 -5.926 1.00 0.00 H new ATOM 0 HB VAL B 19 -6.187 9.195 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -5.823 8.225 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -7.346 7.664 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -5.927 6.591 -3.267 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -3.889 8.816 -3.992 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.884 7.215 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.996 8.687 -5.764 1.00 0.00 H new ATOM 821 N VAL B 20 -8.759 7.828 -6.089 1.00 0.00 N ATOM 822 CA VAL B 20 -10.183 7.581 -5.942 1.00 0.00 C ATOM 823 C VAL B 20 -10.549 6.282 -6.664 1.00 0.00 C ATOM 824 O VAL B 20 -11.265 5.444 -6.118 1.00 0.00 O ATOM 825 CB VAL B 20 -10.979 8.788 -6.443 1.00 0.00 C ATOM 826 CG1 VAL B 20 -12.420 8.395 -6.775 1.00 0.00 C ATOM 827 CG2 VAL B 20 -10.942 9.930 -5.426 1.00 0.00 C ATOM 0 H VAL B 20 -8.524 8.701 -6.561 1.00 0.00 H new ATOM 0 HA VAL B 20 -10.441 7.452 -4.891 1.00 0.00 H new ATOM 0 HB VAL B 20 -10.509 9.142 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.964 9.271 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -12.419 7.630 -7.552 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -12.905 8.003 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -11.515 10.775 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -11.375 9.593 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -9.909 10.237 -5.261 1.00 0.00 H new ATOM 837 N GLU B 21 -10.040 6.156 -7.881 1.00 0.00 N ATOM 838 CA GLU B 21 -10.298 4.970 -8.680 1.00 0.00 C ATOM 839 C GLU B 21 -9.787 3.722 -7.958 1.00 0.00 C ATOM 840 O GLU B 21 -10.507 2.732 -7.838 1.00 0.00 O ATOM 841 CB GLU B 21 -9.668 5.098 -10.069 1.00 0.00 C ATOM 842 CG GLU B 21 -10.519 5.985 -10.978 1.00 0.00 C ATOM 843 CD GLU B 21 -11.723 5.215 -11.526 1.00 0.00 C ATOM 844 OE1 GLU B 21 -11.547 4.559 -12.575 1.00 0.00 O ATOM 845 OE2 GLU B 21 -12.791 5.299 -10.882 1.00 0.00 O ATOM 0 H GLU B 21 -9.451 6.855 -8.333 1.00 0.00 H new ATOM 0 HA GLU B 21 -11.375 4.872 -8.813 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -8.666 5.518 -9.980 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.561 4.110 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -10.863 6.857 -10.422 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -9.912 6.353 -11.805 1.00 0.00 H new ATOM 852 N LEU B 22 -8.548 3.810 -7.497 1.00 0.00 N ATOM 853 CA LEU B 22 -7.942 2.709 -6.768 1.00 0.00 C ATOM 854 C LEU B 22 -8.848 2.316 -5.599 1.00 0.00 C ATOM 855 O LEU B 22 -9.385 1.210 -5.571 1.00 0.00 O ATOM 856 CB LEU B 22 -6.515 3.067 -6.346 1.00 0.00 C ATOM 857 CG LEU B 22 -5.722 1.957 -5.654 1.00 0.00 C ATOM 858 CD1 LEU B 22 -5.135 0.983 -6.678 1.00 0.00 C ATOM 859 CD2 LEU B 22 -4.646 2.542 -4.737 1.00 0.00 C ATOM 0 H LEU B 22 -7.948 4.626 -7.614 1.00 0.00 H new ATOM 0 HA LEU B 22 -7.850 1.833 -7.409 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -5.964 3.382 -7.232 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -6.560 3.926 -5.676 1.00 0.00 H new ATOM 0 HG LEU B 22 -6.407 1.389 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -4.576 0.204 -6.160 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -5.942 0.529 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -4.468 1.521 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -4.097 1.732 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -3.957 3.149 -5.325 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -5.116 3.163 -3.974 1.00 0.00 H new ATOM 871 N ILE B 23 -8.989 3.243 -4.664 1.00 0.00 N ATOM 872 CA ILE B 23 -9.793 2.994 -3.479 1.00 0.00 C ATOM 873 C ILE B 23 -11.143 2.409 -3.898 1.00 0.00 C ATOM 874 O ILE B 23 -11.618 1.445 -3.299 1.00 0.00 O ATOM 875 CB ILE B 23 -9.909 4.265 -2.634 1.00 0.00 C ATOM 876 CG1 ILE B 23 -8.590 4.573 -1.923 1.00 0.00 C ATOM 877 CG2 ILE B 23 -11.080 4.166 -1.654 1.00 0.00 C ATOM 878 CD1 ILE B 23 -8.619 5.967 -1.294 1.00 0.00 C ATOM 0 H ILE B 23 -8.560 4.168 -4.702 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.310 2.256 -2.839 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.117 5.102 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.406 3.826 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -7.766 4.508 -2.633 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -11.140 5.082 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -12.008 4.029 -2.209 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -10.927 3.317 -0.988 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -7.670 6.161 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -8.779 6.714 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.429 6.021 -0.566 1.00 0.00 H new ATOM 890 N SER B 24 -11.723 3.016 -4.923 1.00 0.00 N ATOM 891 CA SER B 24 -13.039 2.610 -5.386 1.00 0.00 C ATOM 892 C SER B 24 -13.030 1.125 -5.753 1.00 0.00 C ATOM 893 O SER B 24 -13.994 0.410 -5.483 1.00 0.00 O ATOM 894 CB SER B 24 -13.484 3.451 -6.585 1.00 0.00 C ATOM 895 OG SER B 24 -14.126 4.657 -6.182 1.00 0.00 O ATOM 0 H SER B 24 -11.306 3.786 -5.446 1.00 0.00 H new ATOM 0 HA SER B 24 -13.752 2.773 -4.577 1.00 0.00 H new ATOM 0 HB2 SER B 24 -12.618 3.690 -7.202 1.00 0.00 H new ATOM 0 HB3 SER B 24 -14.165 2.867 -7.205 1.00 0.00 H new ATOM 0 HG SER B 24 -13.450 5.347 -6.013 1.00 0.00 H new ATOM 901 N ALA B 25 -11.931 0.705 -6.362 1.00 0.00 N ATOM 902 CA ALA B 25 -11.780 -0.684 -6.760 1.00 0.00 C ATOM 903 C ALA B 25 -11.912 -1.580 -5.526 1.00 0.00 C ATOM 904 O ALA B 25 -12.801 -2.427 -5.463 1.00 0.00 O ATOM 905 CB ALA B 25 -10.439 -0.868 -7.473 1.00 0.00 C ATOM 0 H ALA B 25 -11.136 1.303 -6.590 1.00 0.00 H new ATOM 0 HA ALA B 25 -12.564 -0.970 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.326 -1.910 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -10.407 -0.232 -8.357 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.628 -0.594 -6.799 1.00 0.00 H new ATOM 911 N MET B 26 -11.014 -1.361 -4.577 1.00 0.00 N ATOM 912 CA MET B 26 -11.015 -2.143 -3.352 1.00 0.00 C ATOM 913 C MET B 26 -12.402 -2.147 -2.706 1.00 0.00 C ATOM 914 O MET B 26 -12.878 -3.188 -2.255 1.00 0.00 O ATOM 915 CB MET B 26 -9.997 -1.556 -2.371 1.00 0.00 C ATOM 916 CG MET B 26 -8.566 -1.818 -2.845 1.00 0.00 C ATOM 917 SD MET B 26 -7.402 -1.197 -1.644 1.00 0.00 S ATOM 918 CE MET B 26 -5.985 -0.928 -2.695 1.00 0.00 C ATOM 0 H MET B 26 -10.281 -0.654 -4.631 1.00 0.00 H new ATOM 0 HA MET B 26 -10.746 -3.170 -3.598 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.160 -0.483 -2.271 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.143 -1.994 -1.384 1.00 0.00 H new ATOM 0 HG2 MET B 26 -8.413 -2.887 -2.993 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.399 -1.336 -3.808 1.00 0.00 H new ATOM 0 HE1 MET B 26 -5.203 -0.423 -2.129 1.00 0.00 H new ATOM 0 HE2 MET B 26 -5.611 -1.887 -3.055 1.00 0.00 H new ATOM 0 HE3 MET B 26 -6.274 -0.310 -3.545 1.00 0.00 H new ATOM 928 N GLU B 27 -13.012 -0.971 -2.681 1.00 0.00 N ATOM 929 CA GLU B 27 -14.324 -0.821 -2.075 1.00 0.00 C ATOM 930 C GLU B 27 -15.287 -1.875 -2.624 1.00 0.00 C ATOM 931 O GLU B 27 -16.011 -2.516 -1.864 1.00 0.00 O ATOM 932 CB GLU B 27 -14.872 0.590 -2.296 1.00 0.00 C ATOM 933 CG GLU B 27 -14.418 1.536 -1.181 1.00 0.00 C ATOM 934 CD GLU B 27 -15.073 2.911 -1.329 1.00 0.00 C ATOM 935 OE1 GLU B 27 -14.472 3.752 -2.032 1.00 0.00 O ATOM 936 OE2 GLU B 27 -16.158 3.089 -0.736 1.00 0.00 O ATOM 0 H GLU B 27 -12.622 -0.113 -3.071 1.00 0.00 H new ATOM 0 HA GLU B 27 -14.225 -0.973 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -14.532 0.969 -3.260 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -15.961 0.560 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.674 1.110 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.333 1.641 -1.207 1.00 0.00 H new ATOM 943 N GLU B 28 -15.263 -2.023 -3.940 1.00 0.00 N ATOM 944 CA GLU B 28 -16.155 -2.959 -4.604 1.00 0.00 C ATOM 945 C GLU B 28 -15.644 -4.391 -4.434 1.00 0.00 C ATOM 946 O GLU B 28 -16.400 -5.282 -4.049 1.00 0.00 O ATOM 947 CB GLU B 28 -16.316 -2.607 -6.084 1.00 0.00 C ATOM 948 CG GLU B 28 -17.554 -3.283 -6.677 1.00 0.00 C ATOM 949 CD GLU B 28 -17.159 -4.366 -7.683 1.00 0.00 C ATOM 950 OE1 GLU B 28 -16.481 -5.322 -7.250 1.00 0.00 O ATOM 951 OE2 GLU B 28 -17.543 -4.212 -8.863 1.00 0.00 O ATOM 0 H GLU B 28 -14.640 -1.511 -4.565 1.00 0.00 H new ATOM 0 HA GLU B 28 -17.138 -2.887 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -16.398 -1.526 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.428 -2.919 -6.634 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -18.150 -3.724 -5.878 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.180 -2.537 -7.167 1.00 0.00 H new ATOM 958 N LYS B 29 -14.364 -4.568 -4.728 1.00 0.00 N ATOM 959 CA LYS B 29 -13.757 -5.886 -4.665 1.00 0.00 C ATOM 960 C LYS B 29 -14.020 -6.498 -3.287 1.00 0.00 C ATOM 961 O LYS B 29 -14.763 -7.471 -3.168 1.00 0.00 O ATOM 962 CB LYS B 29 -12.273 -5.811 -5.031 1.00 0.00 C ATOM 963 CG LYS B 29 -11.594 -7.169 -4.847 1.00 0.00 C ATOM 964 CD LYS B 29 -10.555 -7.415 -5.943 1.00 0.00 C ATOM 965 CE LYS B 29 -9.626 -8.572 -5.568 1.00 0.00 C ATOM 966 NZ LYS B 29 -8.648 -8.823 -6.651 1.00 0.00 N ATOM 0 H LYS B 29 -13.731 -3.820 -5.011 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.210 -6.550 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -12.166 -5.484 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -11.778 -5.066 -4.408 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -11.113 -7.210 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -12.344 -7.960 -4.867 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -11.059 -7.639 -6.883 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -9.969 -6.510 -6.103 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -9.100 -8.339 -4.642 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -10.212 -9.472 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -8.025 -9.611 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -9.154 -9.066 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -8.077 -7.968 -6.808 1.00 0.00 H new ATOM 980 N PHE B 30 -13.395 -5.903 -2.282 1.00 0.00 N ATOM 981 CA PHE B 30 -13.508 -6.411 -0.925 1.00 0.00 C ATOM 982 C PHE B 30 -14.874 -6.071 -0.325 1.00 0.00 C ATOM 983 O PHE B 30 -15.175 -6.460 0.803 1.00 0.00 O ATOM 984 CB PHE B 30 -12.417 -5.726 -0.099 1.00 0.00 C ATOM 985 CG PHE B 30 -10.994 -6.093 -0.523 1.00 0.00 C ATOM 986 CD1 PHE B 30 -10.430 -7.249 -0.083 1.00 0.00 C ATOM 987 CD2 PHE B 30 -10.292 -5.262 -1.340 1.00 0.00 C ATOM 988 CE1 PHE B 30 -9.108 -7.590 -0.477 1.00 0.00 C ATOM 989 CE2 PHE B 30 -8.971 -5.602 -1.734 1.00 0.00 C ATOM 990 CZ PHE B 30 -8.407 -6.759 -1.294 1.00 0.00 C ATOM 0 H PHE B 30 -12.809 -5.074 -2.380 1.00 0.00 H new ATOM 0 HA PHE B 30 -13.399 -7.496 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -12.541 -4.646 -0.176 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -12.552 -5.988 0.950 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -10.987 -7.908 0.566 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.740 -4.343 -1.689 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.660 -8.509 -0.128 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -8.414 -4.942 -2.383 1.00 0.00 H new ATOM 0 HZ PHE B 30 -7.402 -7.018 -1.594 1.00 0.00 H new