USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 14 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0455) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 35 MET CE :methyl -161:sc= -0.0907 (180deg=-0.629) USER MOD Single : C 10 TYR OH : rot 180:sc= 0 USER MOD Single : C 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 14 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : C 15 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : C 16 LYS NZ :NH3+ -173:sc=-0.000316 (180deg=-0.0628) USER MOD Single : C 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 35 MET CE :methyl -163:sc= -0.0763 (180deg=-0.634) USER MOD ----------------------------------------------------------------- ATOM 132 N TYR A 10 20.819 7.854 -4.915 1.00 0.00 N ATOM 133 CA TYR A 10 19.671 6.962 -4.924 1.00 0.00 C ATOM 134 C TYR A 10 18.625 7.461 -5.911 1.00 0.00 C ATOM 135 O TYR A 10 18.547 8.657 -6.189 1.00 0.00 O ATOM 136 CB TYR A 10 19.060 6.849 -3.519 1.00 0.00 C ATOM 137 CG TYR A 10 18.552 8.160 -2.951 1.00 0.00 C ATOM 138 CD1 TYR A 10 17.214 8.517 -3.065 1.00 0.00 C ATOM 139 CD2 TYR A 10 19.410 9.039 -2.304 1.00 0.00 C ATOM 140 CE1 TYR A 10 16.749 9.713 -2.556 1.00 0.00 C ATOM 141 CE2 TYR A 10 18.952 10.236 -1.788 1.00 0.00 C ATOM 142 CZ TYR A 10 17.620 10.567 -1.919 1.00 0.00 C ATOM 143 OH TYR A 10 17.159 11.760 -1.417 1.00 0.00 O ATOM 0 HA TYR A 10 20.008 5.973 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 10 18.236 6.137 -3.551 1.00 0.00 H new ATOM 0 HB3 TYR A 10 19.809 6.439 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 10 16.526 7.848 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.454 8.783 -2.202 1.00 0.00 H new ATOM 0 HE1 TYR A 10 15.707 9.977 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.632 10.908 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 10 17.899 12.246 -0.997 1.00 0.00 H new ATOM 153 N GLU A 11 17.840 6.539 -6.441 1.00 0.00 N ATOM 154 CA GLU A 11 16.763 6.878 -7.356 1.00 0.00 C ATOM 155 C GLU A 11 15.423 6.564 -6.705 1.00 0.00 C ATOM 156 O GLU A 11 15.310 5.600 -5.945 1.00 0.00 O ATOM 157 CB GLU A 11 16.917 6.106 -8.673 1.00 0.00 C ATOM 158 CG GLU A 11 15.828 6.400 -9.696 1.00 0.00 C ATOM 159 CD GLU A 11 15.761 7.865 -10.080 1.00 0.00 C ATOM 160 OE1 GLU A 11 16.320 8.230 -11.134 1.00 0.00 O ATOM 161 OE2 GLU A 11 15.152 8.650 -9.324 1.00 0.00 O ATOM 0 H GLU A 11 17.930 5.541 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 11 16.807 7.944 -7.581 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.886 6.345 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.919 5.038 -8.457 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.006 5.803 -10.590 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.864 6.091 -9.292 1.00 0.00 H new ATOM 168 N VAL A 12 14.418 7.375 -6.990 1.00 0.00 N ATOM 169 CA VAL A 12 13.102 7.192 -6.399 1.00 0.00 C ATOM 170 C VAL A 12 12.041 7.081 -7.485 1.00 0.00 C ATOM 171 O VAL A 12 11.773 8.034 -8.211 1.00 0.00 O ATOM 172 CB VAL A 12 12.729 8.353 -5.449 1.00 0.00 C ATOM 173 CG1 VAL A 12 11.359 8.121 -4.829 1.00 0.00 C ATOM 174 CG2 VAL A 12 13.782 8.525 -4.364 1.00 0.00 C ATOM 0 H VAL A 12 14.488 8.168 -7.628 1.00 0.00 H new ATOM 0 HA VAL A 12 13.140 6.270 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 12 12.691 9.271 -6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.116 8.950 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.609 8.056 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.369 7.191 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.498 9.348 -3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 12 13.858 7.607 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.746 8.744 -4.824 1.00 0.00 H new ATOM 184 N HIS A 13 11.436 5.913 -7.588 1.00 0.00 N ATOM 185 CA HIS A 13 10.376 5.690 -8.555 1.00 0.00 C ATOM 186 C HIS A 13 9.093 5.348 -7.812 1.00 0.00 C ATOM 187 O HIS A 13 9.107 4.543 -6.886 1.00 0.00 O ATOM 188 CB HIS A 13 10.769 4.558 -9.513 1.00 0.00 C ATOM 189 CG HIS A 13 9.823 4.368 -10.659 1.00 0.00 C ATOM 190 ND1 HIS A 13 9.071 3.227 -10.837 1.00 0.00 N ATOM 191 CD2 HIS A 13 9.528 5.176 -11.704 1.00 0.00 C ATOM 192 CE1 HIS A 13 8.358 3.341 -11.940 1.00 0.00 C ATOM 193 NE2 HIS A 13 8.614 4.514 -12.484 1.00 0.00 N ATOM 0 H HIS A 13 11.661 5.101 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 13 10.217 6.592 -9.146 1.00 0.00 H new ATOM 0 HB2 HIS A 13 11.765 4.760 -9.908 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.833 3.627 -8.950 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.936 6.159 -11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.679 2.598 -12.332 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.200 4.871 -13.345 1.00 0.00 H new ATOM 202 N HIS A 14 7.990 5.961 -8.205 1.00 0.00 N ATOM 203 CA HIS A 14 6.723 5.738 -7.524 1.00 0.00 C ATOM 204 C HIS A 14 5.556 5.926 -8.478 1.00 0.00 C ATOM 205 O HIS A 14 5.535 6.863 -9.274 1.00 0.00 O ATOM 206 CB HIS A 14 6.578 6.665 -6.301 1.00 0.00 C ATOM 207 CG HIS A 14 6.736 8.133 -6.597 1.00 0.00 C ATOM 208 ND1 HIS A 14 5.685 9.022 -6.587 1.00 0.00 N ATOM 209 CD2 HIS A 14 7.839 8.866 -6.886 1.00 0.00 C ATOM 210 CE1 HIS A 14 6.131 10.233 -6.858 1.00 0.00 C ATOM 211 NE2 HIS A 14 7.436 10.168 -7.044 1.00 0.00 N ATOM 0 H HIS A 14 7.944 6.614 -8.987 1.00 0.00 H new ATOM 0 HA HIS A 14 6.714 4.707 -7.169 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.597 6.503 -5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.319 6.378 -5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.849 8.494 -6.975 1.00 0.00 H new ATOM 0 HE1 HIS A 14 5.529 11.128 -6.918 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.044 10.955 -7.268 1.00 0.00 H new ATOM 220 N GLN A 15 4.593 5.024 -8.394 1.00 0.00 N ATOM 221 CA GLN A 15 3.426 5.048 -9.261 1.00 0.00 C ATOM 222 C GLN A 15 2.180 4.721 -8.453 1.00 0.00 C ATOM 223 O GLN A 15 2.274 4.361 -7.279 1.00 0.00 O ATOM 224 CB GLN A 15 3.579 4.038 -10.403 1.00 0.00 C ATOM 225 CG GLN A 15 4.735 4.334 -11.341 1.00 0.00 C ATOM 226 CD GLN A 15 4.881 3.290 -12.431 1.00 0.00 C ATOM 227 OE1 GLN A 15 4.546 2.123 -12.237 1.00 0.00 O ATOM 228 NE2 GLN A 15 5.392 3.702 -13.579 1.00 0.00 N ATOM 0 H GLN A 15 4.597 4.255 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 15 3.333 6.046 -9.689 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.715 3.043 -9.978 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.654 4.015 -10.979 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.587 5.313 -11.797 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.660 4.387 -10.767 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.657 4.680 -13.698 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.521 3.042 -14.346 1.00 0.00 H new ATOM 237 N LYS A 16 1.019 4.845 -9.077 1.00 0.00 N ATOM 238 CA LYS A 16 -0.231 4.503 -8.420 1.00 0.00 C ATOM 239 C LYS A 16 -1.222 3.946 -9.432 1.00 0.00 C ATOM 240 O LYS A 16 -1.104 4.190 -10.633 1.00 0.00 O ATOM 241 CB LYS A 16 -0.832 5.724 -7.715 1.00 0.00 C ATOM 242 CG LYS A 16 -1.341 6.795 -8.665 1.00 0.00 C ATOM 243 CD LYS A 16 -1.999 7.936 -7.910 1.00 0.00 C ATOM 244 CE LYS A 16 -2.660 8.927 -8.853 1.00 0.00 C ATOM 245 NZ LYS A 16 -1.682 9.573 -9.764 1.00 0.00 N ATOM 0 H LYS A 16 0.917 5.179 -10.035 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.022 3.741 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.654 5.396 -7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.078 6.161 -7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.513 7.180 -9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.056 6.357 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.744 7.536 -7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.252 8.451 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.419 8.413 -9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.173 9.693 -8.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.163 10.301 -10.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.925 10.014 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.272 8.857 -10.397 1.00 0.00 H new ATOM 259 N LEU A 17 -2.188 3.191 -8.940 1.00 0.00 N ATOM 260 CA LEU A 17 -3.225 2.618 -9.780 1.00 0.00 C ATOM 261 C LEU A 17 -4.569 2.704 -9.073 1.00 0.00 C ATOM 262 O LEU A 17 -4.679 2.375 -7.892 1.00 0.00 O ATOM 263 CB LEU A 17 -2.896 1.156 -10.106 1.00 0.00 C ATOM 264 CG LEU A 17 -3.918 0.435 -10.990 1.00 0.00 C ATOM 265 CD1 LEU A 17 -3.997 1.086 -12.364 1.00 0.00 C ATOM 266 CD2 LEU A 17 -3.560 -1.037 -11.116 1.00 0.00 C ATOM 0 H LEU A 17 -2.276 2.958 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.275 3.181 -10.712 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.925 1.121 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.798 0.606 -9.170 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.898 0.516 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.729 0.558 -12.975 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.298 2.128 -12.256 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.020 1.039 -12.846 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.295 -1.537 -11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.571 -1.134 -11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.557 -1.497 -10.128 1.00 0.00 H new ATOM 278 N VAL A 18 -5.580 3.170 -9.787 1.00 0.00 N ATOM 279 CA VAL A 18 -6.924 3.249 -9.242 1.00 0.00 C ATOM 280 C VAL A 18 -7.929 2.709 -10.254 1.00 0.00 C ATOM 281 O VAL A 18 -7.964 3.141 -11.404 1.00 0.00 O ATOM 282 CB VAL A 18 -7.291 4.695 -8.825 1.00 0.00 C ATOM 283 CG1 VAL A 18 -7.123 5.674 -9.981 1.00 0.00 C ATOM 284 CG2 VAL A 18 -8.708 4.751 -8.270 1.00 0.00 C ATOM 0 H VAL A 18 -5.494 3.500 -10.748 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.958 2.635 -8.342 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.599 4.997 -8.039 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.390 6.678 -9.650 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.086 5.666 -10.316 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.773 5.379 -10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.946 5.775 -7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.411 4.415 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.783 4.103 -7.397 1.00 0.00 H new ATOM 294 N PHE A 19 -8.714 1.737 -9.829 1.00 0.00 N ATOM 295 CA PHE A 19 -9.686 1.101 -10.701 1.00 0.00 C ATOM 296 C PHE A 19 -11.040 1.013 -10.011 1.00 0.00 C ATOM 297 O PHE A 19 -11.133 0.579 -8.863 1.00 0.00 O ATOM 298 CB PHE A 19 -9.194 -0.295 -11.097 1.00 0.00 C ATOM 299 CG PHE A 19 -10.159 -1.064 -11.956 1.00 0.00 C ATOM 300 CD1 PHE A 19 -10.401 -0.682 -13.265 1.00 0.00 C ATOM 301 CD2 PHE A 19 -10.820 -2.174 -11.454 1.00 0.00 C ATOM 302 CE1 PHE A 19 -11.286 -1.389 -14.056 1.00 0.00 C ATOM 303 CE2 PHE A 19 -11.705 -2.886 -12.240 1.00 0.00 C ATOM 304 CZ PHE A 19 -11.939 -2.493 -13.542 1.00 0.00 C ATOM 0 H PHE A 19 -8.698 1.368 -8.878 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.800 1.703 -11.602 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.248 -0.198 -11.629 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.993 -0.868 -10.192 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.892 0.179 -13.672 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.641 -2.486 -10.436 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -11.467 -1.079 -15.075 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.213 -3.749 -11.836 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.631 -3.047 -14.158 1.00 0.00 H new ATOM 314 N PHE A 20 -12.079 1.441 -10.706 1.00 0.00 N ATOM 315 CA PHE A 20 -13.429 1.356 -10.185 1.00 0.00 C ATOM 316 C PHE A 20 -14.233 0.338 -10.975 1.00 0.00 C ATOM 317 O PHE A 20 -14.256 0.371 -12.205 1.00 0.00 O ATOM 318 CB PHE A 20 -14.120 2.722 -10.240 1.00 0.00 C ATOM 319 CG PHE A 20 -15.561 2.687 -9.803 1.00 0.00 C ATOM 320 CD1 PHE A 20 -16.585 2.699 -10.738 1.00 0.00 C ATOM 321 CD2 PHE A 20 -15.890 2.635 -8.459 1.00 0.00 C ATOM 322 CE1 PHE A 20 -17.908 2.661 -10.339 1.00 0.00 C ATOM 323 CE2 PHE A 20 -17.211 2.598 -8.054 1.00 0.00 C ATOM 324 CZ PHE A 20 -18.222 2.612 -8.995 1.00 0.00 C ATOM 0 H PHE A 20 -12.011 1.853 -11.637 1.00 0.00 H new ATOM 0 HA PHE A 20 -13.373 1.037 -9.144 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.574 3.422 -9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.067 3.106 -11.259 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.346 2.739 -11.790 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.105 2.623 -7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -18.696 2.670 -11.078 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -17.453 2.558 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 20 -19.255 2.585 -8.681 1.00 0.00 H new ATOM 334 N ALA A 21 -14.879 -0.569 -10.268 1.00 0.00 N ATOM 335 CA ALA A 21 -15.729 -1.554 -10.903 1.00 0.00 C ATOM 336 C ALA A 21 -17.084 -1.609 -10.220 1.00 0.00 C ATOM 337 O ALA A 21 -17.169 -1.742 -9.002 1.00 0.00 O ATOM 338 CB ALA A 21 -15.070 -2.924 -10.878 1.00 0.00 C ATOM 0 H ALA A 21 -14.830 -0.643 -9.252 1.00 0.00 H new ATOM 0 HA ALA A 21 -15.876 -1.259 -11.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -15.724 -3.651 -11.360 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.120 -2.881 -11.411 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -14.893 -3.224 -9.845 1.00 0.00 H new ATOM 441 N GLY A 29 -20.435 -0.747 -5.793 1.00 0.00 N ATOM 442 CA GLY A 29 -19.303 -0.072 -6.385 1.00 0.00 C ATOM 443 C GLY A 29 -18.012 -0.428 -5.685 1.00 0.00 C ATOM 444 O GLY A 29 -17.879 -0.231 -4.480 1.00 0.00 O ATOM 0 HA2 GLY A 29 -19.231 -0.339 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -19.457 1.006 -6.339 1.00 0.00 H new ATOM 448 N ALA A 30 -17.058 -0.953 -6.430 1.00 0.00 N ATOM 449 CA ALA A 30 -15.797 -1.368 -5.848 1.00 0.00 C ATOM 450 C ALA A 30 -14.662 -0.468 -6.314 1.00 0.00 C ATOM 451 O ALA A 30 -14.489 -0.233 -7.511 1.00 0.00 O ATOM 452 CB ALA A 30 -15.512 -2.819 -6.208 1.00 0.00 C ATOM 0 H ALA A 30 -17.132 -1.102 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.870 -1.281 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -14.563 -3.124 -5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.311 -3.453 -5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -15.458 -2.921 -7.292 1.00 0.00 H new ATOM 458 N ILE A 31 -13.894 0.029 -5.359 1.00 0.00 N ATOM 459 CA ILE A 31 -12.752 0.881 -5.648 1.00 0.00 C ATOM 460 C ILE A 31 -11.459 0.169 -5.278 1.00 0.00 C ATOM 461 O ILE A 31 -11.224 -0.141 -4.109 1.00 0.00 O ATOM 462 CB ILE A 31 -12.831 2.220 -4.877 1.00 0.00 C ATOM 463 CG1 ILE A 31 -14.107 2.977 -5.251 1.00 0.00 C ATOM 464 CG2 ILE A 31 -11.604 3.076 -5.167 1.00 0.00 C ATOM 465 CD1 ILE A 31 -14.345 4.215 -4.416 1.00 0.00 C ATOM 0 H ILE A 31 -14.043 -0.146 -4.365 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.767 1.095 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 31 -12.856 2.001 -3.809 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -14.055 3.262 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -14.961 2.308 -5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.676 4.014 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.706 2.542 -4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -11.551 3.286 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -15.267 4.699 -4.738 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -14.430 3.935 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -13.510 4.904 -4.541 1.00 0.00 H new ATOM 477 N ILE A 32 -10.639 -0.109 -6.278 1.00 0.00 N ATOM 478 CA ILE A 32 -9.349 -0.739 -6.059 1.00 0.00 C ATOM 479 C ILE A 32 -8.247 0.309 -6.161 1.00 0.00 C ATOM 480 O ILE A 32 -8.041 0.900 -7.221 1.00 0.00 O ATOM 481 CB ILE A 32 -9.070 -1.882 -7.072 1.00 0.00 C ATOM 482 CG1 ILE A 32 -10.056 -3.048 -6.894 1.00 0.00 C ATOM 483 CG2 ILE A 32 -7.638 -2.386 -6.930 1.00 0.00 C ATOM 484 CD1 ILE A 32 -11.446 -2.787 -7.439 1.00 0.00 C ATOM 0 H ILE A 32 -10.847 0.094 -7.256 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.366 -1.180 -5.062 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.207 -1.472 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.647 -3.931 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.134 -3.282 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.461 -3.187 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.944 -1.568 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.484 -2.764 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.073 -3.662 -7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.880 -1.926 -6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.386 -2.585 -8.508 1.00 0.00 H new ATOM 496 N GLY A 33 -7.563 0.551 -5.055 1.00 0.00 N ATOM 497 CA GLY A 33 -6.493 1.526 -5.047 1.00 0.00 C ATOM 498 C GLY A 33 -5.166 0.912 -4.657 1.00 0.00 C ATOM 499 O GLY A 33 -5.096 0.123 -3.712 1.00 0.00 O ATOM 0 H GLY A 33 -7.729 0.089 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.407 1.977 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.739 2.328 -4.351 1.00 0.00 H new ATOM 503 N LEU A 34 -4.121 1.262 -5.391 1.00 0.00 N ATOM 504 CA LEU A 34 -2.783 0.760 -5.121 1.00 0.00 C ATOM 505 C LEU A 34 -1.746 1.847 -5.388 1.00 0.00 C ATOM 506 O LEU A 34 -1.902 2.648 -6.307 1.00 0.00 O ATOM 507 CB LEU A 34 -2.494 -0.463 -5.996 1.00 0.00 C ATOM 508 CG LEU A 34 -1.100 -1.074 -5.830 1.00 0.00 C ATOM 509 CD1 LEU A 34 -0.934 -1.675 -4.443 1.00 0.00 C ATOM 510 CD2 LEU A 34 -0.849 -2.121 -6.904 1.00 0.00 C ATOM 0 H LEU A 34 -4.176 1.898 -6.186 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.725 0.469 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.237 -1.230 -5.776 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.627 -0.181 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.362 -0.280 -5.943 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.064 -2.103 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.068 -0.897 -3.691 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.679 -2.456 -4.293 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.146 -2.546 -6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.595 -2.912 -6.823 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.918 -1.657 -7.888 1.00 0.00 H new ATOM 522 N MET A 35 -0.707 1.882 -4.566 1.00 0.00 N ATOM 523 CA MET A 35 0.402 2.804 -4.759 1.00 0.00 C ATOM 524 C MET A 35 1.706 2.144 -4.327 1.00 0.00 C ATOM 525 O MET A 35 1.832 1.689 -3.188 1.00 0.00 O ATOM 526 CB MET A 35 0.175 4.093 -3.963 1.00 0.00 C ATOM 527 CG MET A 35 1.294 5.111 -4.118 1.00 0.00 C ATOM 528 SD MET A 35 1.053 6.569 -3.083 1.00 0.00 S ATOM 529 CE MET A 35 2.511 7.520 -3.502 1.00 0.00 C ATOM 0 H MET A 35 -0.609 1.276 -3.751 1.00 0.00 H new ATOM 0 HA MET A 35 0.464 3.059 -5.817 1.00 0.00 H new ATOM 0 HB2 MET A 35 -0.764 4.546 -4.282 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.066 3.844 -2.908 1.00 0.00 H new ATOM 0 HG2 MET A 35 2.245 4.642 -3.863 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.359 5.418 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.509 8.455 -2.942 1.00 0.00 H new ATOM 0 HE2 MET A 35 3.404 6.948 -3.250 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.509 7.737 -4.570 1.00 0.00 H new ATOM 539 N VAL A 36 2.666 2.072 -5.238 1.00 0.00 N ATOM 540 CA VAL A 36 3.953 1.462 -4.937 1.00 0.00 C ATOM 541 C VAL A 36 5.094 2.431 -5.225 1.00 0.00 C ATOM 542 O VAL A 36 5.099 3.118 -6.250 1.00 0.00 O ATOM 543 CB VAL A 36 4.173 0.159 -5.741 1.00 0.00 C ATOM 544 CG1 VAL A 36 5.511 -0.477 -5.386 1.00 0.00 C ATOM 545 CG2 VAL A 36 3.035 -0.821 -5.498 1.00 0.00 C ATOM 0 H VAL A 36 2.578 2.428 -6.190 1.00 0.00 H new ATOM 0 HA VAL A 36 3.945 1.216 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 36 4.187 0.414 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.644 -1.392 -5.964 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.317 0.219 -5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 36 5.531 -0.714 -4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.209 -1.731 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.986 -1.066 -4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.093 -0.370 -5.810 1.00 0.00 H new ATOM 555 N GLY A 37 6.050 2.487 -4.313 1.00 0.00 N ATOM 556 CA GLY A 37 7.205 3.337 -4.491 1.00 0.00 C ATOM 557 C GLY A 37 8.481 2.624 -4.103 1.00 0.00 C ATOM 558 O GLY A 37 8.537 1.975 -3.058 1.00 0.00 O ATOM 0 H GLY A 37 6.045 1.953 -3.444 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.267 3.656 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.092 4.238 -3.888 1.00 0.00 H new ATOM 562 N GLY A 38 9.498 2.731 -4.940 1.00 0.00 N ATOM 563 CA GLY A 38 10.749 2.061 -4.668 1.00 0.00 C ATOM 564 C GLY A 38 11.933 3.001 -4.728 1.00 0.00 C ATOM 565 O GLY A 38 12.015 3.857 -5.611 1.00 0.00 O ATOM 0 H GLY A 38 9.479 3.271 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.704 1.601 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.891 1.256 -5.389 1.00 0.00 H new ATOM 569 N VAL A 39 12.844 2.837 -3.784 1.00 0.00 N ATOM 570 CA VAL A 39 14.056 3.637 -3.732 1.00 0.00 C ATOM 571 C VAL A 39 15.267 2.749 -3.988 1.00 0.00 C ATOM 572 O VAL A 39 15.485 1.760 -3.284 1.00 0.00 O ATOM 573 CB VAL A 39 14.214 4.347 -2.368 1.00 0.00 C ATOM 574 CG1 VAL A 39 15.436 5.255 -2.370 1.00 0.00 C ATOM 575 CG2 VAL A 39 12.961 5.139 -2.023 1.00 0.00 C ATOM 0 H VAL A 39 12.765 2.149 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 39 13.984 4.404 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 39 14.357 3.583 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.527 5.744 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 39 16.330 4.662 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 39 15.327 6.010 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 39 13.095 5.630 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 39 12.783 5.891 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 39 12.107 4.464 -1.971 1.00 0.00 H new ATOM 585 N VAL A 40 16.035 3.091 -5.008 1.00 0.00 N ATOM 586 CA VAL A 40 17.187 2.294 -5.394 1.00 0.00 C ATOM 587 C VAL A 40 18.486 3.014 -5.056 1.00 0.00 C ATOM 588 O VAL A 40 18.827 4.025 -5.672 1.00 0.00 O ATOM 589 CB VAL A 40 17.167 1.965 -6.904 1.00 0.00 C ATOM 590 CG1 VAL A 40 18.357 1.097 -7.286 1.00 0.00 C ATOM 591 CG2 VAL A 40 15.861 1.282 -7.288 1.00 0.00 C ATOM 0 H VAL A 40 15.881 3.918 -5.585 1.00 0.00 H new ATOM 0 HA VAL A 40 17.133 1.363 -4.830 1.00 0.00 H new ATOM 0 HB VAL A 40 17.240 2.903 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.321 0.879 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 40 19.282 1.625 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.322 0.164 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.867 1.059 -8.355 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.756 0.355 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.024 1.942 -7.060 1.00 0.00 H new ATOM 601 N ILE A 41 19.192 2.499 -4.062 1.00 0.00 N ATOM 602 CA ILE A 41 20.502 3.015 -3.697 1.00 0.00 C ATOM 603 C ILE A 41 21.569 2.230 -4.450 1.00 0.00 C ATOM 604 O ILE A 41 21.536 0.999 -4.468 1.00 0.00 O ATOM 605 CB ILE A 41 20.771 2.910 -2.169 1.00 0.00 C ATOM 606 CG1 ILE A 41 19.791 3.773 -1.360 1.00 0.00 C ATOM 607 CG2 ILE A 41 22.203 3.312 -1.842 1.00 0.00 C ATOM 608 CD1 ILE A 41 18.416 3.161 -1.185 1.00 0.00 C ATOM 0 H ILE A 41 18.876 1.717 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 41 20.533 4.071 -3.965 1.00 0.00 H new ATOM 0 HB ILE A 41 20.620 1.868 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 41 20.219 3.962 -0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 41 19.685 4.740 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 41 22.367 3.231 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 41 22.895 2.652 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 41 22.373 4.341 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 41 17.789 3.836 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.963 2.998 -2.163 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.506 2.208 -0.663 1.00 0.00 H new ATOM 1079 N ALA B 30 21.361 -0.694 -2.111 1.00 0.00 N ATOM 1080 CA ALA B 30 20.207 -1.235 -1.407 1.00 0.00 C ATOM 1081 C ALA B 30 18.925 -0.898 -2.155 1.00 0.00 C ATOM 1082 O ALA B 30 18.804 0.180 -2.730 1.00 0.00 O ATOM 1083 CB ALA B 30 20.149 -0.699 0.016 1.00 0.00 C ATOM 0 HA ALA B 30 20.308 -2.319 -1.361 1.00 0.00 H new ATOM 0 HB1 ALA B 30 19.280 -1.114 0.526 1.00 0.00 H new ATOM 0 HB2 ALA B 30 21.055 -0.986 0.550 1.00 0.00 H new ATOM 0 HB3 ALA B 30 20.071 0.388 -0.008 1.00 0.00 H new ATOM 1089 N ILE B 31 17.980 -1.823 -2.162 1.00 0.00 N ATOM 1090 CA ILE B 31 16.713 -1.602 -2.844 1.00 0.00 C ATOM 1091 C ILE B 31 15.548 -1.809 -1.885 1.00 0.00 C ATOM 1092 O ILE B 31 15.389 -2.886 -1.309 1.00 0.00 O ATOM 1093 CB ILE B 31 16.544 -2.541 -4.060 1.00 0.00 C ATOM 1094 CG1 ILE B 31 17.690 -2.341 -5.055 1.00 0.00 C ATOM 1095 CG2 ILE B 31 15.203 -2.296 -4.739 1.00 0.00 C ATOM 1096 CD1 ILE B 31 17.634 -3.272 -6.248 1.00 0.00 C ATOM 0 H ILE B 31 18.064 -2.731 -1.705 1.00 0.00 H new ATOM 0 HA ILE B 31 16.717 -0.573 -3.202 1.00 0.00 H new ATOM 0 HB ILE B 31 16.570 -3.571 -3.706 1.00 0.00 H new ATOM 0 HG12 ILE B 31 17.675 -1.310 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE B 31 18.638 -2.486 -4.537 1.00 0.00 H new ATOM 0 HG21 ILE B 31 15.100 -2.965 -5.593 1.00 0.00 H new ATOM 0 HG22 ILE B 31 14.397 -2.485 -4.031 1.00 0.00 H new ATOM 0 HG23 ILE B 31 15.151 -1.262 -5.080 1.00 0.00 H new ATOM 0 HD11 ILE B 31 18.478 -3.070 -6.907 1.00 0.00 H new ATOM 0 HD12 ILE B 31 17.681 -4.306 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE B 31 16.703 -3.111 -6.791 1.00 0.00 H new ATOM 1108 N ILE B 32 14.742 -0.777 -1.710 1.00 0.00 N ATOM 1109 CA ILE B 32 13.590 -0.851 -0.827 1.00 0.00 C ATOM 1110 C ILE B 32 12.335 -0.385 -1.561 1.00 0.00 C ATOM 1111 O ILE B 32 12.339 0.654 -2.220 1.00 0.00 O ATOM 1112 CB ILE B 32 13.830 -0.021 0.469 1.00 0.00 C ATOM 1113 CG1 ILE B 32 12.649 -0.130 1.457 1.00 0.00 C ATOM 1114 CG2 ILE B 32 14.125 1.437 0.134 1.00 0.00 C ATOM 1115 CD1 ILE B 32 11.496 0.821 1.186 1.00 0.00 C ATOM 0 H ILE B 32 14.864 0.126 -2.169 1.00 0.00 H new ATOM 0 HA ILE B 32 13.444 -1.889 -0.528 1.00 0.00 H new ATOM 0 HB ILE B 32 14.703 -0.445 0.964 1.00 0.00 H new ATOM 0 HG12 ILE B 32 12.270 -1.152 1.436 1.00 0.00 H new ATOM 0 HG13 ILE B 32 13.021 0.051 2.466 1.00 0.00 H new ATOM 0 HG21 ILE B 32 14.289 1.996 1.055 1.00 0.00 H new ATOM 0 HG22 ILE B 32 15.018 1.494 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE B 32 13.279 1.865 -0.404 1.00 0.00 H new ATOM 0 HD11 ILE B 32 10.716 0.669 1.932 1.00 0.00 H new ATOM 0 HD12 ILE B 32 11.853 1.850 1.238 1.00 0.00 H new ATOM 0 HD13 ILE B 32 11.091 0.628 0.193 1.00 0.00 H new ATOM 1127 N GLY B 33 11.274 -1.173 -1.471 1.00 0.00 N ATOM 1128 CA GLY B 33 10.022 -0.804 -2.096 1.00 0.00 C ATOM 1129 C GLY B 33 8.854 -0.928 -1.143 1.00 0.00 C ATOM 1130 O GLY B 33 8.705 -1.946 -0.465 1.00 0.00 O ATOM 0 H GLY B 33 11.258 -2.064 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY B 33 10.086 0.222 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY B 33 9.850 -1.439 -2.965 1.00 0.00 H new ATOM 1134 N LEU B 34 8.039 0.112 -1.077 1.00 0.00 N ATOM 1135 CA LEU B 34 6.871 0.116 -0.213 1.00 0.00 C ATOM 1136 C LEU B 34 5.605 -0.007 -1.044 1.00 0.00 C ATOM 1137 O LEU B 34 5.462 0.649 -2.078 1.00 0.00 O ATOM 1138 CB LEU B 34 6.817 1.396 0.624 1.00 0.00 C ATOM 1139 CG LEU B 34 7.975 1.590 1.606 1.00 0.00 C ATOM 1140 CD1 LEU B 34 7.826 2.906 2.350 1.00 0.00 C ATOM 1141 CD2 LEU B 34 8.046 0.430 2.589 1.00 0.00 C ATOM 0 H LEU B 34 8.167 0.969 -1.615 1.00 0.00 H new ATOM 0 HA LEU B 34 6.944 -0.737 0.461 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.790 2.251 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU B 34 5.883 1.403 1.185 1.00 0.00 H new ATOM 0 HG LEU B 34 8.905 1.616 1.038 1.00 0.00 H new ATOM 0 HD11 LEU B 34 8.658 3.028 3.044 1.00 0.00 H new ATOM 0 HD12 LEU B 34 7.826 3.730 1.636 1.00 0.00 H new ATOM 0 HD13 LEU B 34 6.888 2.906 2.905 1.00 0.00 H new ATOM 0 HD21 LEU B 34 8.876 0.587 3.278 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.114 0.372 3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 34 8.199 -0.501 2.043 1.00 0.00 H new ATOM 1153 N MET B 35 4.694 -0.852 -0.593 1.00 0.00 N ATOM 1154 CA MET B 35 3.452 -1.086 -1.307 1.00 0.00 C ATOM 1155 C MET B 35 2.264 -0.827 -0.392 1.00 0.00 C ATOM 1156 O MET B 35 2.132 -1.450 0.661 1.00 0.00 O ATOM 1157 CB MET B 35 3.402 -2.528 -1.822 1.00 0.00 C ATOM 1158 CG MET B 35 4.527 -2.882 -2.785 1.00 0.00 C ATOM 1159 SD MET B 35 4.492 -4.613 -3.294 1.00 0.00 S ATOM 1160 CE MET B 35 4.853 -5.434 -1.743 1.00 0.00 C ATOM 0 H MET B 35 4.793 -1.389 0.268 1.00 0.00 H new ATOM 0 HA MET B 35 3.405 -0.403 -2.155 1.00 0.00 H new ATOM 0 HB2 MET B 35 3.439 -3.208 -0.971 1.00 0.00 H new ATOM 0 HB3 MET B 35 2.446 -2.692 -2.320 1.00 0.00 H new ATOM 0 HG2 MET B 35 4.457 -2.247 -3.668 1.00 0.00 H new ATOM 0 HG3 MET B 35 5.485 -2.666 -2.312 1.00 0.00 H new ATOM 0 HE1 MET B 35 5.196 -6.450 -1.940 1.00 0.00 H new ATOM 0 HE2 MET B 35 5.631 -4.885 -1.213 1.00 0.00 H new ATOM 0 HE3 MET B 35 3.952 -5.468 -1.131 1.00 0.00 H new ATOM 1170 N VAL B 36 1.407 0.099 -0.789 1.00 0.00 N ATOM 1171 CA VAL B 36 0.191 0.380 -0.042 1.00 0.00 C ATOM 1172 C VAL B 36 -1.022 0.252 -0.951 1.00 0.00 C ATOM 1173 O VAL B 36 -1.007 0.718 -2.092 1.00 0.00 O ATOM 1174 CB VAL B 36 0.212 1.783 0.610 1.00 0.00 C ATOM 1175 CG1 VAL B 36 1.286 1.861 1.682 1.00 0.00 C ATOM 1176 CG2 VAL B 36 0.422 2.872 -0.433 1.00 0.00 C ATOM 0 H VAL B 36 1.531 0.670 -1.625 1.00 0.00 H new ATOM 0 HA VAL B 36 0.130 -0.354 0.762 1.00 0.00 H new ATOM 0 HB VAL B 36 -0.759 1.947 1.078 1.00 0.00 H new ATOM 0 HG11 VAL B 36 1.284 2.856 2.128 1.00 0.00 H new ATOM 0 HG12 VAL B 36 1.085 1.117 2.453 1.00 0.00 H new ATOM 0 HG13 VAL B 36 2.261 1.666 1.235 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.432 3.846 0.055 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.373 2.711 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -0.388 2.840 -1.161 1.00 0.00 H new ATOM 1186 N GLY B 37 -2.057 -0.402 -0.460 1.00 0.00 N ATOM 1187 CA GLY B 37 -3.246 -0.592 -1.256 1.00 0.00 C ATOM 1188 C GLY B 37 -4.483 -0.762 -0.408 1.00 0.00 C ATOM 1189 O GLY B 37 -4.395 -0.983 0.801 1.00 0.00 O ATOM 0 H GLY B 37 -2.096 -0.805 0.476 1.00 0.00 H new ATOM 0 HA2 GLY B 37 -3.377 0.264 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY B 37 -3.120 -1.470 -1.890 1.00 0.00 H new ATOM 1193 N GLY B 38 -5.636 -0.653 -1.038 1.00 0.00 N ATOM 1194 CA GLY B 38 -6.885 -0.831 -0.337 1.00 0.00 C ATOM 1195 C GLY B 38 -8.046 -0.971 -1.292 1.00 0.00 C ATOM 1196 O GLY B 38 -8.089 -0.302 -2.328 1.00 0.00 O ATOM 0 H GLY B 38 -5.730 -0.442 -2.032 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -6.825 -1.717 0.295 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -7.057 0.020 0.322 1.00 0.00 H new ATOM 1200 N VAL B 39 -8.978 -1.845 -0.958 1.00 0.00 N ATOM 1201 CA VAL B 39 -10.159 -2.046 -1.777 1.00 0.00 C ATOM 1202 C VAL B 39 -11.408 -1.741 -0.965 1.00 0.00 C ATOM 1203 O VAL B 39 -11.566 -2.222 0.158 1.00 0.00 O ATOM 1204 CB VAL B 39 -10.235 -3.489 -2.327 1.00 0.00 C ATOM 1205 CG1 VAL B 39 -11.468 -3.676 -3.201 1.00 0.00 C ATOM 1206 CG2 VAL B 39 -8.974 -3.838 -3.102 1.00 0.00 C ATOM 0 H VAL B 39 -8.939 -2.429 -0.122 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.094 -1.366 -2.627 1.00 0.00 H new ATOM 0 HB VAL B 39 -10.315 -4.167 -1.477 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -11.497 -4.699 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.364 -3.479 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.426 -2.984 -4.042 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -9.050 -4.858 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -8.859 -3.149 -3.939 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -8.109 -3.758 -2.444 1.00 0.00 H new ATOM 1216 N VAL B 40 -12.283 -0.927 -1.529 1.00 0.00 N ATOM 1217 CA VAL B 40 -13.523 -0.565 -0.869 1.00 0.00 C ATOM 1218 C VAL B 40 -14.706 -0.952 -1.742 1.00 0.00 C ATOM 1219 O VAL B 40 -14.867 -0.432 -2.844 1.00 0.00 O ATOM 1220 CB VAL B 40 -13.590 0.948 -0.562 1.00 0.00 C ATOM 1221 CG1 VAL B 40 -14.883 1.296 0.161 1.00 0.00 C ATOM 1222 CG2 VAL B 40 -12.385 1.387 0.259 1.00 0.00 C ATOM 0 H VAL B 40 -12.156 -0.503 -2.448 1.00 0.00 H new ATOM 0 HA VAL B 40 -13.561 -1.106 0.077 1.00 0.00 H new ATOM 0 HB VAL B 40 -13.573 1.485 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -14.908 2.366 0.367 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -15.734 1.027 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -14.935 0.745 1.100 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -12.454 2.456 0.463 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -12.367 0.838 1.201 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -11.471 1.182 -0.298 1.00 0.00 H new ATOM 1232 N ILE B 41 -15.511 -1.883 -1.260 1.00 0.00 N ATOM 1233 CA ILE B 41 -16.691 -2.319 -1.986 1.00 0.00 C ATOM 1234 C ILE B 41 -17.945 -1.813 -1.292 1.00 0.00 C ATOM 1235 O ILE B 41 -18.296 -2.282 -0.203 1.00 0.00 O ATOM 1236 CB ILE B 41 -16.759 -3.856 -2.098 1.00 0.00 C ATOM 1237 CG1 ILE B 41 -15.451 -4.408 -2.671 1.00 0.00 C ATOM 1238 CG2 ILE B 41 -17.942 -4.271 -2.965 1.00 0.00 C ATOM 1239 CD1 ILE B 41 -15.388 -5.918 -2.704 1.00 0.00 C ATOM 0 H ILE B 41 -15.368 -2.353 -0.366 1.00 0.00 H new ATOM 0 HA ILE B 41 -16.626 -1.905 -2.992 1.00 0.00 H new ATOM 0 HB ILE B 41 -16.899 -4.273 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -15.319 -4.026 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -14.618 -4.032 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -17.978 -5.358 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -18.867 -3.906 -2.518 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -17.829 -3.846 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -14.432 -6.233 -3.122 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -15.487 -6.309 -1.691 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -16.199 -6.303 -3.322 1.00 0.00 H new ATOM 1251 N ALA B 42 -18.604 -0.853 -1.920 1.00 0.00 N ATOM 1252 CA ALA B 42 -19.819 -0.266 -1.387 1.00 0.00 C ATOM 1253 C ALA B 42 -20.512 0.558 -2.463 1.00 0.00 C ATOM 1254 O ALA B 42 -20.363 1.796 -2.455 1.00 0.00 O ATOM 1255 CB ALA B 42 -19.504 0.590 -0.167 1.00 0.00 C ATOM 1256 OXT ALA B 42 -21.183 -0.045 -3.326 1.00 0.00 O ATOM 0 H ALA B 42 -18.310 -0.460 -2.814 1.00 0.00 H new ATOM 0 HA ALA B 42 -20.492 -1.064 -1.075 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -20.426 1.023 0.221 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -19.042 -0.029 0.602 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -18.819 1.389 -0.450 1.00 0.00 H new ATOM 1394 N TYR C 10 -20.164 -6.926 12.093 1.00 0.00 N ATOM 1395 CA TYR C 10 -19.090 -6.965 11.116 1.00 0.00 C ATOM 1396 C TYR C 10 -18.094 -8.057 11.477 1.00 0.00 C ATOM 1397 O TYR C 10 -17.955 -8.416 12.646 1.00 0.00 O ATOM 1398 CB TYR C 10 -18.380 -5.604 11.034 1.00 0.00 C ATOM 1399 CG TYR C 10 -17.734 -5.153 12.330 1.00 0.00 C ATOM 1400 CD1 TYR C 10 -16.385 -5.385 12.574 1.00 0.00 C ATOM 1401 CD2 TYR C 10 -18.471 -4.493 13.306 1.00 0.00 C ATOM 1402 CE1 TYR C 10 -15.792 -4.975 13.753 1.00 0.00 C ATOM 1403 CE2 TYR C 10 -17.884 -4.080 14.487 1.00 0.00 C ATOM 1404 CZ TYR C 10 -16.546 -4.323 14.705 1.00 0.00 C ATOM 1405 OH TYR C 10 -15.961 -3.918 15.883 1.00 0.00 O ATOM 0 HA TYR C 10 -19.520 -7.187 10.139 1.00 0.00 H new ATOM 0 HB2 TYR C 10 -17.615 -5.654 10.259 1.00 0.00 H new ATOM 0 HB3 TYR C 10 -19.102 -4.850 10.721 1.00 0.00 H new ATOM 0 HD1 TYR C 10 -15.791 -5.894 11.830 1.00 0.00 H new ATOM 0 HD2 TYR C 10 -19.520 -4.300 13.139 1.00 0.00 H new ATOM 0 HE1 TYR C 10 -14.743 -5.164 13.928 1.00 0.00 H new ATOM 0 HE2 TYR C 10 -18.472 -3.569 15.235 1.00 0.00 H new ATOM 0 HH TYR C 10 -16.630 -3.473 16.444 1.00 0.00 H new ATOM 1415 N GLU C 11 -17.423 -8.588 10.471 1.00 0.00 N ATOM 1416 CA GLU C 11 -16.399 -9.597 10.677 1.00 0.00 C ATOM 1417 C GLU C 11 -15.038 -9.030 10.293 1.00 0.00 C ATOM 1418 O GLU C 11 -14.937 -8.230 9.361 1.00 0.00 O ATOM 1419 CB GLU C 11 -16.714 -10.847 9.846 1.00 0.00 C ATOM 1420 CG GLU C 11 -15.692 -11.966 9.997 1.00 0.00 C ATOM 1421 CD GLU C 11 -15.548 -12.440 11.428 1.00 0.00 C ATOM 1422 OE1 GLU C 11 -16.164 -13.465 11.779 1.00 0.00 O ATOM 1423 OE2 GLU C 11 -14.813 -11.787 12.198 1.00 0.00 O ATOM 0 H GLU C 11 -17.571 -8.334 9.494 1.00 0.00 H new ATOM 0 HA GLU C 11 -16.380 -9.880 11.729 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -17.695 -11.224 10.134 1.00 0.00 H new ATOM 0 HB3 GLU C 11 -16.776 -10.566 8.795 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -15.985 -12.807 9.368 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -14.724 -11.619 9.635 1.00 0.00 H new ATOM 1430 N VAL C 12 -14.002 -9.436 11.007 1.00 0.00 N ATOM 1431 CA VAL C 12 -12.660 -8.936 10.751 1.00 0.00 C ATOM 1432 C VAL C 12 -11.700 -10.088 10.496 1.00 0.00 C ATOM 1433 O VAL C 12 -11.411 -10.881 11.391 1.00 0.00 O ATOM 1434 CB VAL C 12 -12.127 -8.086 11.927 1.00 0.00 C ATOM 1435 CG1 VAL C 12 -10.734 -7.554 11.621 1.00 0.00 C ATOM 1436 CG2 VAL C 12 -13.074 -6.939 12.243 1.00 0.00 C ATOM 0 H VAL C 12 -14.063 -10.111 11.769 1.00 0.00 H new ATOM 0 HA VAL C 12 -12.722 -8.302 9.866 1.00 0.00 H new ATOM 0 HB VAL C 12 -12.066 -8.730 12.804 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -10.379 -6.959 12.462 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.054 -8.389 11.455 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -10.770 -6.932 10.726 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.676 -6.357 13.074 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -13.175 -6.299 11.367 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -14.051 -7.338 12.515 1.00 0.00 H new ATOM 1446 N HIS C 13 -11.201 -10.169 9.276 1.00 0.00 N ATOM 1447 CA HIS C 13 -10.237 -11.196 8.918 1.00 0.00 C ATOM 1448 C HIS C 13 -8.928 -10.529 8.517 1.00 0.00 C ATOM 1449 O HIS C 13 -8.931 -9.550 7.777 1.00 0.00 O ATOM 1450 CB HIS C 13 -10.782 -12.058 7.772 1.00 0.00 C ATOM 1451 CG HIS C 13 -9.945 -13.261 7.454 1.00 0.00 C ATOM 1452 ND1 HIS C 13 -9.298 -13.433 6.250 1.00 0.00 N ATOM 1453 CD2 HIS C 13 -9.674 -14.368 8.182 1.00 0.00 C ATOM 1454 CE1 HIS C 13 -8.670 -14.590 6.251 1.00 0.00 C ATOM 1455 NE2 HIS C 13 -8.880 -15.178 7.412 1.00 0.00 N ATOM 0 H HIS C 13 -11.447 -9.536 8.515 1.00 0.00 H new ATOM 0 HA HIS C 13 -10.059 -11.848 9.773 1.00 0.00 H new ATOM 0 HB2 HIS C 13 -11.789 -12.388 8.028 1.00 0.00 H new ATOM 0 HB3 HIS C 13 -10.866 -11.441 6.877 1.00 0.00 H new ATOM 0 HD2 HIS C 13 -10.019 -14.575 9.184 1.00 0.00 H new ATOM 0 HE1 HIS C 13 -8.082 -14.990 5.438 1.00 0.00 H new ATOM 0 HE2 HIS C 13 -8.512 -16.087 7.692 1.00 0.00 H new ATOM 1464 N HIS C 14 -7.817 -11.043 9.015 1.00 0.00 N ATOM 1465 CA HIS C 14 -6.519 -10.449 8.729 1.00 0.00 C ATOM 1466 C HIS C 14 -5.423 -11.499 8.777 1.00 0.00 C ATOM 1467 O HIS C 14 -5.398 -12.343 9.671 1.00 0.00 O ATOM 1468 CB HIS C 14 -6.209 -9.297 9.704 1.00 0.00 C ATOM 1469 CG HIS C 14 -6.277 -9.667 11.160 1.00 0.00 C ATOM 1470 ND1 HIS C 14 -5.164 -9.793 11.961 1.00 0.00 N ATOM 1471 CD2 HIS C 14 -7.341 -9.916 11.960 1.00 0.00 C ATOM 1472 CE1 HIS C 14 -5.540 -10.104 13.187 1.00 0.00 C ATOM 1473 NE2 HIS C 14 -6.854 -10.183 13.212 1.00 0.00 N ATOM 0 H HIS C 14 -7.785 -11.866 9.617 1.00 0.00 H new ATOM 0 HA HIS C 14 -6.556 -10.037 7.721 1.00 0.00 H new ATOM 0 HB2 HIS C 14 -5.212 -8.915 9.487 1.00 0.00 H new ATOM 0 HB3 HIS C 14 -6.910 -8.483 9.517 1.00 0.00 H new ATOM 0 HD2 HIS C 14 -8.380 -9.906 11.666 1.00 0.00 H new ATOM 0 HE1 HIS C 14 -4.881 -10.266 14.027 1.00 0.00 H new ATOM 0 HE2 HIS C 14 -7.418 -10.407 14.032 1.00 0.00 H new ATOM 1482 N GLN C 15 -4.525 -11.435 7.807 1.00 0.00 N ATOM 1483 CA GLN C 15 -3.430 -12.388 7.695 1.00 0.00 C ATOM 1484 C GLN C 15 -2.152 -11.658 7.313 1.00 0.00 C ATOM 1485 O GLN C 15 -2.181 -10.459 7.025 1.00 0.00 O ATOM 1486 CB GLN C 15 -3.748 -13.450 6.639 1.00 0.00 C ATOM 1487 CG GLN C 15 -4.949 -14.319 6.968 1.00 0.00 C ATOM 1488 CD GLN C 15 -5.259 -15.323 5.875 1.00 0.00 C ATOM 1489 OE1 GLN C 15 -4.990 -15.086 4.698 1.00 0.00 O ATOM 1490 NE2 GLN C 15 -5.834 -16.450 6.258 1.00 0.00 N ATOM 0 H GLN C 15 -4.533 -10.723 7.076 1.00 0.00 H new ATOM 0 HA GLN C 15 -3.297 -12.880 8.659 1.00 0.00 H new ATOM 0 HB2 GLN C 15 -3.923 -12.955 5.684 1.00 0.00 H new ATOM 0 HB3 GLN C 15 -2.875 -14.090 6.510 1.00 0.00 H new ATOM 0 HG2 GLN C 15 -4.764 -14.850 7.902 1.00 0.00 H new ATOM 0 HG3 GLN C 15 -5.819 -13.683 7.130 1.00 0.00 H new ATOM 0 HE21 GLN C 15 -6.040 -16.608 7.244 1.00 0.00 H new ATOM 0 HE22 GLN C 15 -6.071 -17.162 5.567 1.00 0.00 H new ATOM 1499 N LYS C 16 -1.039 -12.375 7.304 1.00 0.00 N ATOM 1500 CA LYS C 16 0.231 -11.792 6.903 1.00 0.00 C ATOM 1501 C LYS C 16 1.095 -12.838 6.216 1.00 0.00 C ATOM 1502 O LYS C 16 0.901 -14.038 6.404 1.00 0.00 O ATOM 1503 CB LYS C 16 0.975 -11.208 8.110 1.00 0.00 C ATOM 1504 CG LYS C 16 1.487 -12.255 9.085 1.00 0.00 C ATOM 1505 CD LYS C 16 2.290 -11.619 10.205 1.00 0.00 C ATOM 1506 CE LYS C 16 2.940 -12.667 11.093 1.00 0.00 C ATOM 1507 NZ LYS C 16 1.934 -13.526 11.765 1.00 0.00 N ATOM 0 H LYS C 16 -0.990 -13.359 7.569 1.00 0.00 H new ATOM 0 HA LYS C 16 0.025 -10.982 6.204 1.00 0.00 H new ATOM 0 HB2 LYS C 16 1.818 -10.616 7.753 1.00 0.00 H new ATOM 0 HB3 LYS C 16 0.309 -10.527 8.640 1.00 0.00 H new ATOM 0 HG2 LYS C 16 0.646 -12.806 9.505 1.00 0.00 H new ATOM 0 HG3 LYS C 16 2.108 -12.977 8.554 1.00 0.00 H new ATOM 0 HD2 LYS C 16 3.059 -10.973 9.781 1.00 0.00 H new ATOM 0 HD3 LYS C 16 1.638 -10.986 10.806 1.00 0.00 H new ATOM 0 HE2 LYS C 16 3.605 -13.288 10.493 1.00 0.00 H new ATOM 0 HE3 LYS C 16 3.556 -12.174 11.845 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 2.410 -14.147 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 1.243 -12.928 12.262 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 1.443 -14.106 11.055 1.00 0.00 H new ATOM 1521 N LEU C 17 2.038 -12.374 5.416 1.00 0.00 N ATOM 1522 CA LEU C 17 2.958 -13.253 4.718 1.00 0.00 C ATOM 1523 C LEU C 17 4.358 -12.655 4.737 1.00 0.00 C ATOM 1524 O LEU C 17 4.534 -11.465 4.469 1.00 0.00 O ATOM 1525 CB LEU C 17 2.496 -13.465 3.271 1.00 0.00 C ATOM 1526 CG LEU C 17 3.388 -14.377 2.423 1.00 0.00 C ATOM 1527 CD1 LEU C 17 3.409 -15.788 2.987 1.00 0.00 C ATOM 1528 CD2 LEU C 17 2.912 -14.387 0.979 1.00 0.00 C ATOM 0 H LEU C 17 2.187 -11.382 5.233 1.00 0.00 H new ATOM 0 HA LEU C 17 2.976 -14.219 5.223 1.00 0.00 H new ATOM 0 HB2 LEU C 17 1.489 -13.882 3.287 1.00 0.00 H new ATOM 0 HB3 LEU C 17 2.431 -12.493 2.782 1.00 0.00 H new ATOM 0 HG LEU C 17 4.405 -13.985 2.452 1.00 0.00 H new ATOM 0 HD11 LEU C 17 4.049 -16.418 2.369 1.00 0.00 H new ATOM 0 HD12 LEU C 17 3.796 -15.767 4.006 1.00 0.00 H new ATOM 0 HD13 LEU C 17 2.397 -16.193 2.992 1.00 0.00 H new ATOM 0 HD21 LEU C 17 3.555 -15.039 0.388 1.00 0.00 H new ATOM 0 HD22 LEU C 17 1.886 -14.754 0.937 1.00 0.00 H new ATOM 0 HD23 LEU C 17 2.953 -13.375 0.576 1.00 0.00 H new ATOM 1540 N VAL C 18 5.341 -13.471 5.077 1.00 0.00 N ATOM 1541 CA VAL C 18 6.726 -13.036 5.080 1.00 0.00 C ATOM 1542 C VAL C 18 7.608 -14.087 4.410 1.00 0.00 C ATOM 1543 O VAL C 18 7.600 -15.262 4.785 1.00 0.00 O ATOM 1544 CB VAL C 18 7.231 -12.731 6.513 1.00 0.00 C ATOM 1545 CG1 VAL C 18 7.047 -13.926 7.439 1.00 0.00 C ATOM 1546 CG2 VAL C 18 8.687 -12.286 6.488 1.00 0.00 C ATOM 0 H VAL C 18 5.204 -14.443 5.356 1.00 0.00 H new ATOM 0 HA VAL C 18 6.785 -12.107 4.512 1.00 0.00 H new ATOM 0 HB VAL C 18 6.627 -11.914 6.908 1.00 0.00 H new ATOM 0 HG11 VAL C 18 7.412 -13.674 8.435 1.00 0.00 H new ATOM 0 HG12 VAL C 18 5.989 -14.183 7.495 1.00 0.00 H new ATOM 0 HG13 VAL C 18 7.607 -14.777 7.051 1.00 0.00 H new ATOM 0 HG21 VAL C 18 9.021 -12.077 7.504 1.00 0.00 H new ATOM 0 HG22 VAL C 18 9.302 -13.077 6.059 1.00 0.00 H new ATOM 0 HG23 VAL C 18 8.782 -11.385 5.882 1.00 0.00 H new ATOM 1556 N PHE C 19 8.345 -13.663 3.401 1.00 0.00 N ATOM 1557 CA PHE C 19 9.194 -14.562 2.642 1.00 0.00 C ATOM 1558 C PHE C 19 10.588 -13.970 2.485 1.00 0.00 C ATOM 1559 O PHE C 19 10.742 -12.806 2.115 1.00 0.00 O ATOM 1560 CB PHE C 19 8.569 -14.836 1.269 1.00 0.00 C ATOM 1561 CG PHE C 19 9.402 -15.718 0.382 1.00 0.00 C ATOM 1562 CD1 PHE C 19 9.567 -17.061 0.676 1.00 0.00 C ATOM 1563 CD2 PHE C 19 10.017 -15.201 -0.747 1.00 0.00 C ATOM 1564 CE1 PHE C 19 10.330 -17.872 -0.140 1.00 0.00 C ATOM 1565 CE2 PHE C 19 10.781 -16.009 -1.566 1.00 0.00 C ATOM 1566 CZ PHE C 19 10.939 -17.346 -1.262 1.00 0.00 C ATOM 0 H PHE C 19 8.373 -12.693 3.086 1.00 0.00 H new ATOM 0 HA PHE C 19 9.282 -15.505 3.182 1.00 0.00 H new ATOM 0 HB2 PHE C 19 7.593 -15.300 1.412 1.00 0.00 H new ATOM 0 HB3 PHE C 19 8.399 -13.886 0.763 1.00 0.00 H new ATOM 0 HD1 PHE C 19 9.094 -17.478 1.553 1.00 0.00 H new ATOM 0 HD2 PHE C 19 9.898 -14.155 -0.989 1.00 0.00 H new ATOM 0 HE1 PHE C 19 10.451 -18.918 0.099 1.00 0.00 H new ATOM 0 HE2 PHE C 19 11.255 -15.595 -2.444 1.00 0.00 H new ATOM 0 HZ PHE C 19 11.538 -17.979 -1.900 1.00 0.00 H new ATOM 1576 N PHE C 20 11.596 -14.768 2.788 1.00 0.00 N ATOM 1577 CA PHE C 20 12.976 -14.345 2.628 1.00 0.00 C ATOM 1578 C PHE C 20 13.636 -15.132 1.508 1.00 0.00 C ATOM 1579 O PHE C 20 13.571 -16.361 1.476 1.00 0.00 O ATOM 1580 CB PHE C 20 13.758 -14.534 3.933 1.00 0.00 C ATOM 1581 CG PHE C 20 15.222 -14.206 3.809 1.00 0.00 C ATOM 1582 CD1 PHE C 20 16.164 -15.214 3.692 1.00 0.00 C ATOM 1583 CD2 PHE C 20 15.653 -12.890 3.800 1.00 0.00 C ATOM 1584 CE1 PHE C 20 17.508 -14.916 3.568 1.00 0.00 C ATOM 1585 CE2 PHE C 20 16.994 -12.584 3.678 1.00 0.00 C ATOM 1586 CZ PHE C 20 17.922 -13.599 3.561 1.00 0.00 C ATOM 0 H PHE C 20 11.484 -15.716 3.148 1.00 0.00 H new ATOM 0 HA PHE C 20 12.983 -13.285 2.373 1.00 0.00 H new ATOM 0 HB2 PHE C 20 13.317 -13.904 4.706 1.00 0.00 H new ATOM 0 HB3 PHE C 20 13.652 -15.567 4.264 1.00 0.00 H new ATOM 0 HD1 PHE C 20 15.845 -16.246 3.698 1.00 0.00 H new ATOM 0 HD2 PHE C 20 14.931 -12.092 3.890 1.00 0.00 H new ATOM 0 HE1 PHE C 20 18.233 -15.712 3.477 1.00 0.00 H new ATOM 0 HE2 PHE C 20 17.316 -11.553 3.674 1.00 0.00 H new ATOM 0 HZ PHE C 20 18.971 -13.363 3.464 1.00 0.00 H new ATOM 1703 N GLY C 29 20.127 -10.373 0.210 1.00 0.00 N ATOM 1704 CA GLY C 29 19.007 -10.919 0.942 1.00 0.00 C ATOM 1705 C GLY C 29 17.755 -10.100 0.730 1.00 0.00 C ATOM 1706 O GLY C 29 17.736 -8.902 1.001 1.00 0.00 O ATOM 0 HA2 GLY C 29 18.829 -11.946 0.624 1.00 0.00 H new ATOM 0 HA3 GLY C 29 19.246 -10.951 2.005 1.00 0.00 H new ATOM 1710 N ALA C 30 16.706 -10.738 0.244 1.00 0.00 N ATOM 1711 CA ALA C 30 15.467 -10.041 -0.037 1.00 0.00 C ATOM 1712 C ALA C 30 14.370 -10.476 0.924 1.00 0.00 C ATOM 1713 O ALA C 30 14.124 -11.669 1.108 1.00 0.00 O ATOM 1714 CB ALA C 30 15.047 -10.294 -1.478 1.00 0.00 C ATOM 0 H ALA C 30 16.688 -11.736 0.036 1.00 0.00 H new ATOM 0 HA ALA C 30 15.629 -8.972 0.102 1.00 0.00 H new ATOM 0 HB1 ALA C 30 14.115 -9.767 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA C 30 15.824 -9.933 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA C 30 14.901 -11.363 -1.632 1.00 0.00 H new ATOM 1720 N ILE C 31 13.719 -9.497 1.532 1.00 0.00 N ATOM 1721 CA ILE C 31 12.625 -9.752 2.454 1.00 0.00 C ATOM 1722 C ILE C 31 11.316 -9.243 1.870 1.00 0.00 C ATOM 1723 O ILE C 31 11.150 -8.042 1.647 1.00 0.00 O ATOM 1724 CB ILE C 31 12.866 -9.071 3.821 1.00 0.00 C ATOM 1725 CG1 ILE C 31 14.164 -9.582 4.453 1.00 0.00 C ATOM 1726 CG2 ILE C 31 11.686 -9.315 4.753 1.00 0.00 C ATOM 1727 CD1 ILE C 31 14.562 -8.843 5.712 1.00 0.00 C ATOM 0 H ILE C 31 13.933 -8.508 1.401 1.00 0.00 H new ATOM 0 HA ILE C 31 12.570 -10.830 2.606 1.00 0.00 H new ATOM 0 HB ILE C 31 12.961 -7.997 3.660 1.00 0.00 H new ATOM 0 HG12 ILE C 31 14.052 -10.641 4.685 1.00 0.00 H new ATOM 0 HG13 ILE C 31 14.970 -9.499 3.724 1.00 0.00 H new ATOM 0 HG21 ILE C 31 11.872 -8.829 5.711 1.00 0.00 H new ATOM 0 HG22 ILE C 31 10.780 -8.905 4.308 1.00 0.00 H new ATOM 0 HG23 ILE C 31 11.561 -10.387 4.908 1.00 0.00 H new ATOM 0 HD11 ILE C 31 15.490 -9.261 6.101 1.00 0.00 H new ATOM 0 HD12 ILE C 31 14.707 -7.787 5.484 1.00 0.00 H new ATOM 0 HD13 ILE C 31 13.775 -8.948 6.459 1.00 0.00 H new ATOM 1739 N ILE C 32 10.401 -10.159 1.604 1.00 0.00 N ATOM 1740 CA ILE C 32 9.089 -9.808 1.090 1.00 0.00 C ATOM 1741 C ILE C 32 8.063 -9.888 2.215 1.00 0.00 C ATOM 1742 O ILE C 32 7.818 -10.962 2.764 1.00 0.00 O ATOM 1743 CB ILE C 32 8.646 -10.728 -0.081 1.00 0.00 C ATOM 1744 CG1 ILE C 32 9.553 -10.552 -1.308 1.00 0.00 C ATOM 1745 CG2 ILE C 32 7.198 -10.450 -0.462 1.00 0.00 C ATOM 1746 CD1 ILE C 32 10.910 -11.215 -1.188 1.00 0.00 C ATOM 0 H ILE C 32 10.545 -11.160 1.737 1.00 0.00 H new ATOM 0 HA ILE C 32 9.152 -8.791 0.702 1.00 0.00 H new ATOM 0 HB ILE C 32 8.733 -11.759 0.261 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.042 -10.955 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.698 -9.487 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE C 32 6.906 -11.104 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE C 32 6.553 -10.637 0.397 1.00 0.00 H new ATOM 0 HG23 ILE C 32 7.097 -9.410 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.483 -11.039 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.446 -10.796 -0.336 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.779 -12.287 -1.043 1.00 0.00 H new ATOM 1758 N GLY C 33 7.488 -8.749 2.571 1.00 0.00 N ATOM 1759 CA GLY C 33 6.499 -8.719 3.628 1.00 0.00 C ATOM 1760 C GLY C 33 5.164 -8.196 3.143 1.00 0.00 C ATOM 1761 O GLY C 33 5.108 -7.204 2.415 1.00 0.00 O ATOM 0 H GLY C 33 7.689 -7.844 2.146 1.00 0.00 H new ATOM 0 HA2 GLY C 33 6.370 -9.723 4.032 1.00 0.00 H new ATOM 0 HA3 GLY C 33 6.859 -8.092 4.443 1.00 0.00 H new ATOM 1765 N LEU C 34 4.094 -8.869 3.535 1.00 0.00 N ATOM 1766 CA LEU C 34 2.750 -8.468 3.153 1.00 0.00 C ATOM 1767 C LEU C 34 1.777 -8.718 4.302 1.00 0.00 C ATOM 1768 O LEU C 34 1.919 -9.692 5.041 1.00 0.00 O ATOM 1769 CB LEU C 34 2.300 -9.246 1.911 1.00 0.00 C ATOM 1770 CG LEU C 34 0.881 -8.940 1.421 1.00 0.00 C ATOM 1771 CD1 LEU C 34 0.781 -7.512 0.905 1.00 0.00 C ATOM 1772 CD2 LEU C 34 0.468 -9.929 0.345 1.00 0.00 C ATOM 0 H LEU C 34 4.132 -9.702 4.122 1.00 0.00 H new ATOM 0 HA LEU C 34 2.757 -7.403 2.922 1.00 0.00 H new ATOM 0 HB2 LEU C 34 2.999 -9.038 1.100 1.00 0.00 H new ATOM 0 HB3 LEU C 34 2.370 -10.312 2.126 1.00 0.00 H new ATOM 0 HG LEU C 34 0.199 -9.041 2.265 1.00 0.00 H new ATOM 0 HD11 LEU C 34 -0.236 -7.319 0.563 1.00 0.00 H new ATOM 0 HD12 LEU C 34 1.032 -6.817 1.706 1.00 0.00 H new ATOM 0 HD13 LEU C 34 1.475 -7.375 0.076 1.00 0.00 H new ATOM 0 HD21 LEU C 34 -0.542 -9.698 0.007 1.00 0.00 H new ATOM 0 HD22 LEU C 34 1.157 -9.859 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU C 34 0.493 -10.940 0.751 1.00 0.00 H new ATOM 1784 N MET C 35 0.813 -7.827 4.462 1.00 0.00 N ATOM 1785 CA MET C 35 -0.235 -7.992 5.458 1.00 0.00 C ATOM 1786 C MET C 35 -1.548 -7.426 4.929 1.00 0.00 C ATOM 1787 O MET C 35 -1.619 -6.256 4.545 1.00 0.00 O ATOM 1788 CB MET C 35 0.150 -7.296 6.766 1.00 0.00 C ATOM 1789 CG MET C 35 -0.895 -7.427 7.861 1.00 0.00 C ATOM 1790 SD MET C 35 -0.463 -6.502 9.347 1.00 0.00 S ATOM 1791 CE MET C 35 -1.875 -6.864 10.388 1.00 0.00 C ATOM 0 H MET C 35 0.734 -6.973 3.909 1.00 0.00 H new ATOM 0 HA MET C 35 -0.360 -9.056 5.659 1.00 0.00 H new ATOM 0 HB2 MET C 35 1.092 -7.711 7.124 1.00 0.00 H new ATOM 0 HB3 MET C 35 0.323 -6.238 6.567 1.00 0.00 H new ATOM 0 HG2 MET C 35 -1.856 -7.075 7.485 1.00 0.00 H new ATOM 0 HG3 MET C 35 -1.019 -8.480 8.116 1.00 0.00 H new ATOM 0 HE1 MET C 35 -1.758 -6.362 11.348 1.00 0.00 H new ATOM 0 HE2 MET C 35 -2.785 -6.511 9.903 1.00 0.00 H new ATOM 0 HE3 MET C 35 -1.943 -7.940 10.548 1.00 0.00 H new ATOM 1801 N VAL C 36 -2.578 -8.257 4.884 1.00 0.00 N ATOM 1802 CA VAL C 36 -3.879 -7.824 4.397 1.00 0.00 C ATOM 1803 C VAL C 36 -4.965 -8.087 5.434 1.00 0.00 C ATOM 1804 O VAL C 36 -5.006 -9.155 6.049 1.00 0.00 O ATOM 1805 CB VAL C 36 -4.260 -8.526 3.073 1.00 0.00 C ATOM 1806 CG1 VAL C 36 -5.610 -8.036 2.565 1.00 0.00 C ATOM 1807 CG2 VAL C 36 -3.182 -8.311 2.018 1.00 0.00 C ATOM 0 H VAL C 36 -2.539 -9.233 5.178 1.00 0.00 H new ATOM 0 HA VAL C 36 -3.804 -6.752 4.213 1.00 0.00 H new ATOM 0 HB VAL C 36 -4.339 -9.595 3.271 1.00 0.00 H new ATOM 0 HG11 VAL C 36 -5.855 -8.545 1.633 1.00 0.00 H new ATOM 0 HG12 VAL C 36 -6.378 -8.251 3.308 1.00 0.00 H new ATOM 0 HG13 VAL C 36 -5.565 -6.961 2.390 1.00 0.00 H new ATOM 0 HG21 VAL C 36 -3.471 -8.814 1.095 1.00 0.00 H new ATOM 0 HG22 VAL C 36 -3.065 -7.244 1.829 1.00 0.00 H new ATOM 0 HG23 VAL C 36 -2.237 -8.722 2.374 1.00 0.00 H new ATOM 1817 N GLY C 37 -5.837 -7.108 5.620 1.00 0.00 N ATOM 1818 CA GLY C 37 -6.940 -7.253 6.545 1.00 0.00 C ATOM 1819 C GLY C 37 -8.229 -6.720 5.962 1.00 0.00 C ATOM 1820 O GLY C 37 -8.249 -5.628 5.394 1.00 0.00 O ATOM 0 H GLY C 37 -5.799 -6.208 5.142 1.00 0.00 H new ATOM 0 HA2 GLY C 37 -7.064 -8.305 6.802 1.00 0.00 H new ATOM 0 HA3 GLY C 37 -6.712 -6.723 7.470 1.00 0.00 H new ATOM 1824 N GLY C 38 -9.297 -7.488 6.092 1.00 0.00 N ATOM 1825 CA GLY C 38 -10.570 -7.086 5.542 1.00 0.00 C ATOM 1826 C GLY C 38 -11.677 -7.107 6.572 1.00 0.00 C ATOM 1827 O GLY C 38 -11.756 -8.023 7.395 1.00 0.00 O ATOM 0 H GLY C 38 -9.304 -8.388 6.572 1.00 0.00 H new ATOM 0 HA2 GLY C 38 -10.482 -6.082 5.128 1.00 0.00 H new ATOM 0 HA3 GLY C 38 -10.832 -7.749 4.718 1.00 0.00 H new ATOM 1831 N VAL C 39 -12.525 -6.094 6.529 1.00 0.00 N ATOM 1832 CA VAL C 39 -13.661 -6.001 7.428 1.00 0.00 C ATOM 1833 C VAL C 39 -14.954 -6.113 6.629 1.00 0.00 C ATOM 1834 O VAL C 39 -15.192 -5.334 5.702 1.00 0.00 O ATOM 1835 CB VAL C 39 -13.657 -4.674 8.220 1.00 0.00 C ATOM 1836 CG1 VAL C 39 -14.801 -4.636 9.221 1.00 0.00 C ATOM 1837 CG2 VAL C 39 -12.324 -4.471 8.927 1.00 0.00 C ATOM 0 H VAL C 39 -12.446 -5.317 5.873 1.00 0.00 H new ATOM 0 HA VAL C 39 -13.589 -6.819 8.144 1.00 0.00 H new ATOM 0 HB VAL C 39 -13.797 -3.859 7.510 1.00 0.00 H new ATOM 0 HG11 VAL C 39 -14.777 -3.692 9.766 1.00 0.00 H new ATOM 0 HG12 VAL C 39 -15.750 -4.725 8.692 1.00 0.00 H new ATOM 0 HG13 VAL C 39 -14.698 -5.463 9.923 1.00 0.00 H new ATOM 0 HG21 VAL C 39 -12.344 -3.531 9.478 1.00 0.00 H new ATOM 0 HG22 VAL C 39 -12.151 -5.294 9.620 1.00 0.00 H new ATOM 0 HG23 VAL C 39 -11.522 -4.442 8.190 1.00 0.00 H new ATOM 1847 N VAL C 40 -15.773 -7.090 6.975 1.00 0.00 N ATOM 1848 CA VAL C 40 -17.007 -7.340 6.252 1.00 0.00 C ATOM 1849 C VAL C 40 -18.219 -6.949 7.089 1.00 0.00 C ATOM 1850 O VAL C 40 -18.531 -7.598 8.088 1.00 0.00 O ATOM 1851 CB VAL C 40 -17.131 -8.823 5.841 1.00 0.00 C ATOM 1852 CG1 VAL C 40 -18.410 -9.063 5.052 1.00 0.00 C ATOM 1853 CG2 VAL C 40 -15.915 -9.259 5.037 1.00 0.00 C ATOM 0 H VAL C 40 -15.605 -7.725 7.755 1.00 0.00 H new ATOM 0 HA VAL C 40 -16.977 -6.727 5.351 1.00 0.00 H new ATOM 0 HB VAL C 40 -17.176 -9.424 6.749 1.00 0.00 H new ATOM 0 HG11 VAL C 40 -18.474 -10.115 4.774 1.00 0.00 H new ATOM 0 HG12 VAL C 40 -19.271 -8.796 5.665 1.00 0.00 H new ATOM 0 HG13 VAL C 40 -18.402 -8.450 4.151 1.00 0.00 H new ATOM 0 HG21 VAL C 40 -16.021 -10.307 4.757 1.00 0.00 H new ATOM 0 HG22 VAL C 40 -15.836 -8.649 4.137 1.00 0.00 H new ATOM 0 HG23 VAL C 40 -15.016 -9.134 5.640 1.00 0.00 H new ATOM 1863 N ILE C 41 -18.880 -5.877 6.686 1.00 0.00 N ATOM 1864 CA ILE C 41 -20.114 -5.446 7.321 1.00 0.00 C ATOM 1865 C ILE C 41 -21.294 -6.066 6.582 1.00 0.00 C ATOM 1866 O ILE C 41 -21.359 -6.003 5.354 1.00 0.00 O ATOM 1867 CB ILE C 41 -20.269 -3.898 7.321 1.00 0.00 C ATOM 1868 CG1 ILE C 41 -19.167 -3.219 8.148 1.00 0.00 C ATOM 1869 CG2 ILE C 41 -21.637 -3.493 7.850 1.00 0.00 C ATOM 1870 CD1 ILE C 41 -17.831 -3.112 7.441 1.00 0.00 C ATOM 0 H ILE C 41 -18.578 -5.283 5.913 1.00 0.00 H new ATOM 0 HA ILE C 41 -20.086 -5.775 8.360 1.00 0.00 H new ATOM 0 HB ILE C 41 -20.173 -3.564 6.288 1.00 0.00 H new ATOM 0 HG12 ILE C 41 -19.500 -2.218 8.423 1.00 0.00 H new ATOM 0 HG13 ILE C 41 -19.030 -3.775 9.075 1.00 0.00 H new ATOM 0 HG21 ILE C 41 -21.723 -2.406 7.841 1.00 0.00 H new ATOM 0 HG22 ILE C 41 -22.414 -3.924 7.218 1.00 0.00 H new ATOM 0 HG23 ILE C 41 -21.755 -3.858 8.870 1.00 0.00 H new ATOM 0 HD11 ILE C 41 -17.111 -2.621 8.096 1.00 0.00 H new ATOM 0 HD12 ILE C 41 -17.471 -4.110 7.190 1.00 0.00 H new ATOM 0 HD13 ILE C 41 -17.948 -2.529 6.528 1.00 0.00 H new ATOM 2341 N ALA D 30 -21.125 -3.584 3.775 1.00 0.00 N ATOM 2342 CA ALA D 30 -19.962 -2.936 3.184 1.00 0.00 C ATOM 2343 C ALA D 30 -18.722 -3.795 3.380 1.00 0.00 C ATOM 2344 O ALA D 30 -18.565 -4.435 4.417 1.00 0.00 O ATOM 2345 CB ALA D 30 -19.751 -1.556 3.794 1.00 0.00 C ATOM 0 HA ALA D 30 -20.139 -2.817 2.115 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -18.878 -1.087 3.340 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -20.631 -0.939 3.611 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -19.593 -1.653 4.868 1.00 0.00 H new ATOM 2351 N ILE D 31 -17.851 -3.819 2.386 1.00 0.00 N ATOM 2352 CA ILE D 31 -16.630 -4.606 2.471 1.00 0.00 C ATOM 2353 C ILE D 31 -15.410 -3.725 2.225 1.00 0.00 C ATOM 2354 O ILE D 31 -15.293 -3.093 1.176 1.00 0.00 O ATOM 2355 CB ILE D 31 -16.629 -5.774 1.458 1.00 0.00 C ATOM 2356 CG1 ILE D 31 -17.834 -6.690 1.694 1.00 0.00 C ATOM 2357 CG2 ILE D 31 -15.331 -6.564 1.559 1.00 0.00 C ATOM 2358 CD1 ILE D 31 -17.940 -7.826 0.698 1.00 0.00 C ATOM 0 H ILE D 31 -17.965 -3.305 1.513 1.00 0.00 H new ATOM 0 HA ILE D 31 -16.586 -5.024 3.477 1.00 0.00 H new ATOM 0 HB ILE D 31 -16.704 -5.359 0.453 1.00 0.00 H new ATOM 0 HG12 ILE D 31 -17.772 -7.105 2.700 1.00 0.00 H new ATOM 0 HG13 ILE D 31 -18.746 -6.094 1.651 1.00 0.00 H new ATOM 0 HG21 ILE D 31 -15.346 -7.383 0.839 1.00 0.00 H new ATOM 0 HG22 ILE D 31 -14.488 -5.908 1.344 1.00 0.00 H new ATOM 0 HG23 ILE D 31 -15.228 -6.968 2.566 1.00 0.00 H new ATOM 0 HD11 ILE D 31 -18.817 -8.431 0.929 1.00 0.00 H new ATOM 0 HD12 ILE D 31 -18.034 -7.419 -0.309 1.00 0.00 H new ATOM 0 HD13 ILE D 31 -17.045 -8.446 0.757 1.00 0.00 H new ATOM 2370 N ILE D 32 -14.517 -3.675 3.197 1.00 0.00 N ATOM 2371 CA ILE D 32 -13.308 -2.875 3.078 1.00 0.00 C ATOM 2372 C ILE D 32 -12.083 -3.727 3.406 1.00 0.00 C ATOM 2373 O ILE D 32 -12.059 -4.440 4.410 1.00 0.00 O ATOM 2374 CB ILE D 32 -13.383 -1.616 3.992 1.00 0.00 C ATOM 2375 CG1 ILE D 32 -12.136 -0.717 3.843 1.00 0.00 C ATOM 2376 CG2 ILE D 32 -13.596 -2.015 5.448 1.00 0.00 C ATOM 2377 CD1 ILE D 32 -10.941 -1.131 4.681 1.00 0.00 C ATOM 0 H ILE D 32 -14.605 -4.179 4.079 1.00 0.00 H new ATOM 0 HA ILE D 32 -13.218 -2.526 2.049 1.00 0.00 H new ATOM 0 HB ILE D 32 -14.242 -1.030 3.666 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -11.839 -0.706 2.794 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -12.410 0.304 4.108 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -13.645 -1.119 6.067 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -14.529 -2.571 5.540 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -12.767 -2.640 5.779 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -10.117 -0.439 4.507 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -11.213 -1.113 5.736 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -10.633 -2.139 4.403 1.00 0.00 H new ATOM 2389 N GLY D 33 -11.082 -3.674 2.541 1.00 0.00 N ATOM 2390 CA GLY D 33 -9.858 -4.409 2.777 1.00 0.00 C ATOM 2391 C GLY D 33 -8.630 -3.542 2.611 1.00 0.00 C ATOM 2392 O GLY D 33 -8.493 -2.829 1.618 1.00 0.00 O ATOM 0 H GLY D 33 -11.096 -3.133 1.677 1.00 0.00 H new ATOM 0 HA2 GLY D 33 -9.874 -4.824 3.785 1.00 0.00 H new ATOM 0 HA3 GLY D 33 -9.803 -5.251 2.086 1.00 0.00 H new ATOM 2396 N LEU D 34 -7.738 -3.599 3.586 1.00 0.00 N ATOM 2397 CA LEU D 34 -6.508 -2.823 3.543 1.00 0.00 C ATOM 2398 C LEU D 34 -5.324 -3.737 3.274 1.00 0.00 C ATOM 2399 O LEU D 34 -5.216 -4.817 3.858 1.00 0.00 O ATOM 2400 CB LEU D 34 -6.292 -2.071 4.858 1.00 0.00 C ATOM 2401 CG LEU D 34 -7.351 -1.021 5.195 1.00 0.00 C ATOM 2402 CD1 LEU D 34 -7.048 -0.374 6.534 1.00 0.00 C ATOM 2403 CD2 LEU D 34 -7.430 0.034 4.100 1.00 0.00 C ATOM 0 H LEU D 34 -7.843 -4.177 4.420 1.00 0.00 H new ATOM 0 HA LEU D 34 -6.593 -2.094 2.737 1.00 0.00 H new ATOM 0 HB2 LEU D 34 -6.254 -2.797 5.670 1.00 0.00 H new ATOM 0 HB3 LEU D 34 -5.319 -1.582 4.821 1.00 0.00 H new ATOM 0 HG LEU D 34 -8.318 -1.519 5.261 1.00 0.00 H new ATOM 0 HD11 LEU D 34 -7.811 0.371 6.759 1.00 0.00 H new ATOM 0 HD12 LEU D 34 -7.044 -1.136 7.314 1.00 0.00 H new ATOM 0 HD13 LEU D 34 -6.071 0.108 6.492 1.00 0.00 H new ATOM 0 HD21 LEU D 34 -8.190 0.772 4.359 1.00 0.00 H new ATOM 0 HD22 LEU D 34 -6.464 0.528 4.000 1.00 0.00 H new ATOM 0 HD23 LEU D 34 -7.694 -0.441 3.155 1.00 0.00 H new ATOM 2415 N MET D 35 -4.444 -3.306 2.384 1.00 0.00 N ATOM 2416 CA MET D 35 -3.285 -4.096 2.013 1.00 0.00 C ATOM 2417 C MET D 35 -2.011 -3.292 2.226 1.00 0.00 C ATOM 2418 O MET D 35 -1.842 -2.216 1.652 1.00 0.00 O ATOM 2419 CB MET D 35 -3.384 -4.528 0.545 1.00 0.00 C ATOM 2420 CG MET D 35 -4.606 -5.379 0.237 1.00 0.00 C ATOM 2421 SD MET D 35 -4.761 -5.790 -1.513 1.00 0.00 S ATOM 2422 CE MET D 35 -5.043 -4.171 -2.223 1.00 0.00 C ATOM 0 H MET D 35 -4.513 -2.409 1.904 1.00 0.00 H new ATOM 0 HA MET D 35 -3.256 -4.985 2.644 1.00 0.00 H new ATOM 0 HB2 MET D 35 -3.404 -3.639 -0.085 1.00 0.00 H new ATOM 0 HB3 MET D 35 -2.487 -5.087 0.279 1.00 0.00 H new ATOM 0 HG2 MET D 35 -4.555 -6.300 0.817 1.00 0.00 H new ATOM 0 HG3 MET D 35 -5.502 -4.848 0.560 1.00 0.00 H new ATOM 0 HE1 MET D 35 -5.452 -4.280 -3.227 1.00 0.00 H new ATOM 0 HE2 MET D 35 -5.748 -3.619 -1.602 1.00 0.00 H new ATOM 0 HE3 MET D 35 -4.100 -3.626 -2.273 1.00 0.00 H new ATOM 2432 N VAL D 36 -1.122 -3.807 3.056 1.00 0.00 N ATOM 2433 CA VAL D 36 0.166 -3.171 3.282 1.00 0.00 C ATOM 2434 C VAL D 36 1.291 -4.158 3.008 1.00 0.00 C ATOM 2435 O VAL D 36 1.220 -5.321 3.407 1.00 0.00 O ATOM 2436 CB VAL D 36 0.301 -2.604 4.717 1.00 0.00 C ATOM 2437 CG1 VAL D 36 -0.675 -1.461 4.938 1.00 0.00 C ATOM 2438 CG2 VAL D 36 0.089 -3.689 5.764 1.00 0.00 C ATOM 0 H VAL D 36 -1.268 -4.666 3.587 1.00 0.00 H new ATOM 0 HA VAL D 36 0.235 -2.330 2.592 1.00 0.00 H new ATOM 0 HB VAL D 36 1.316 -2.223 4.826 1.00 0.00 H new ATOM 0 HG11 VAL D 36 -0.563 -1.078 5.952 1.00 0.00 H new ATOM 0 HG12 VAL D 36 -0.469 -0.664 4.224 1.00 0.00 H new ATOM 0 HG13 VAL D 36 -1.694 -1.820 4.796 1.00 0.00 H new ATOM 0 HG21 VAL D 36 0.190 -3.258 6.760 1.00 0.00 H new ATOM 0 HG22 VAL D 36 -0.909 -4.113 5.652 1.00 0.00 H new ATOM 0 HG23 VAL D 36 0.834 -4.474 5.631 1.00 0.00 H new ATOM 2448 N GLY D 37 2.311 -3.707 2.302 1.00 0.00 N ATOM 2449 CA GLY D 37 3.415 -4.578 1.976 1.00 0.00 C ATOM 2450 C GLY D 37 4.700 -3.817 1.750 1.00 0.00 C ATOM 2451 O GLY D 37 4.688 -2.597 1.594 1.00 0.00 O ATOM 0 H GLY D 37 2.395 -2.754 1.949 1.00 0.00 H new ATOM 0 HA2 GLY D 37 3.558 -5.296 2.783 1.00 0.00 H new ATOM 0 HA3 GLY D 37 3.172 -5.149 1.080 1.00 0.00 H new ATOM 2455 N GLY D 38 5.803 -4.537 1.736 1.00 0.00 N ATOM 2456 CA GLY D 38 7.087 -3.922 1.501 1.00 0.00 C ATOM 2457 C GLY D 38 8.154 -4.950 1.216 1.00 0.00 C ATOM 2458 O GLY D 38 8.163 -6.028 1.816 1.00 0.00 O ATOM 0 H GLY D 38 5.833 -5.546 1.884 1.00 0.00 H new ATOM 0 HA2 GLY D 38 7.012 -3.233 0.660 1.00 0.00 H new ATOM 0 HA3 GLY D 38 7.373 -3.332 2.372 1.00 0.00 H new ATOM 2462 N VAL D 39 9.039 -4.633 0.291 1.00 0.00 N ATOM 2463 CA VAL D 39 10.132 -5.523 -0.047 1.00 0.00 C ATOM 2464 C VAL D 39 11.462 -4.828 0.198 1.00 0.00 C ATOM 2465 O VAL D 39 11.675 -3.696 -0.242 1.00 0.00 O ATOM 2466 CB VAL D 39 10.056 -5.992 -1.521 1.00 0.00 C ATOM 2467 CG1 VAL D 39 11.201 -6.942 -1.850 1.00 0.00 C ATOM 2468 CG2 VAL D 39 8.715 -6.652 -1.809 1.00 0.00 C ATOM 0 H VAL D 39 9.022 -3.763 -0.241 1.00 0.00 H new ATOM 0 HA VAL D 39 10.050 -6.403 0.591 1.00 0.00 H new ATOM 0 HB VAL D 39 10.150 -5.113 -2.158 1.00 0.00 H new ATOM 0 HG11 VAL D 39 11.125 -7.257 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL D 39 12.152 -6.433 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL D 39 11.146 -7.816 -1.201 1.00 0.00 H new ATOM 0 HG21 VAL D 39 8.684 -6.974 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL D 39 8.588 -7.517 -1.158 1.00 0.00 H new ATOM 0 HG23 VAL D 39 7.912 -5.939 -1.625 1.00 0.00 H new ATOM 2478 N VAL D 40 12.347 -5.503 0.911 1.00 0.00 N ATOM 2479 CA VAL D 40 13.661 -4.963 1.207 1.00 0.00 C ATOM 2480 C VAL D 40 14.737 -5.899 0.680 1.00 0.00 C ATOM 2481 O VAL D 40 14.843 -7.041 1.122 1.00 0.00 O ATOM 2482 CB VAL D 40 13.865 -4.754 2.724 1.00 0.00 C ATOM 2483 CG1 VAL D 40 15.233 -4.148 3.004 1.00 0.00 C ATOM 2484 CG2 VAL D 40 12.765 -3.875 3.302 1.00 0.00 C ATOM 0 H VAL D 40 12.177 -6.432 1.297 1.00 0.00 H new ATOM 0 HA VAL D 40 13.736 -3.993 0.716 1.00 0.00 H new ATOM 0 HB VAL D 40 13.814 -5.729 3.209 1.00 0.00 H new ATOM 0 HG11 VAL D 40 15.356 -4.009 4.078 1.00 0.00 H new ATOM 0 HG12 VAL D 40 16.010 -4.816 2.633 1.00 0.00 H new ATOM 0 HG13 VAL D 40 15.314 -3.184 2.502 1.00 0.00 H new ATOM 0 HG21 VAL D 40 12.930 -3.742 4.371 1.00 0.00 H new ATOM 0 HG22 VAL D 40 12.779 -2.903 2.809 1.00 0.00 H new ATOM 0 HG23 VAL D 40 11.797 -4.350 3.140 1.00 0.00 H new ATOM 2494 N ILE D 41 15.509 -5.423 -0.282 1.00 0.00 N ATOM 2495 CA ILE D 41 16.591 -6.210 -0.846 1.00 0.00 C ATOM 2496 C ILE D 41 17.931 -5.642 -0.402 1.00 0.00 C ATOM 2497 O ILE D 41 18.326 -4.552 -0.831 1.00 0.00 O ATOM 2498 CB ILE D 41 16.536 -6.233 -2.387 1.00 0.00 C ATOM 2499 CG1 ILE D 41 15.148 -6.674 -2.863 1.00 0.00 C ATOM 2500 CG2 ILE D 41 17.613 -7.159 -2.942 1.00 0.00 C ATOM 2501 CD1 ILE D 41 14.969 -6.615 -4.365 1.00 0.00 C ATOM 0 H ILE D 41 15.406 -4.493 -0.689 1.00 0.00 H new ATOM 0 HA ILE D 41 16.478 -7.232 -0.484 1.00 0.00 H new ATOM 0 HB ILE D 41 16.724 -5.226 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE D 41 14.965 -7.694 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE D 41 14.395 -6.042 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE D 41 17.562 -7.165 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE D 41 18.595 -6.805 -2.627 1.00 0.00 H new ATOM 0 HG23 ILE D 41 17.453 -8.169 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE D 41 13.962 -6.942 -4.625 1.00 0.00 H new ATOM 0 HD12 ILE D 41 15.118 -5.592 -4.709 1.00 0.00 H new ATOM 0 HD13 ILE D 41 15.698 -7.269 -4.844 1.00 0.00 H new ATOM 2513 N ALA D 42 18.610 -6.376 0.465 1.00 0.00 N ATOM 2514 CA ALA D 42 19.904 -5.970 0.980 1.00 0.00 C ATOM 2515 C ALA D 42 20.572 -7.137 1.700 1.00 0.00 C ATOM 2516 O ALA D 42 20.531 -7.171 2.947 1.00 0.00 O ATOM 2517 CB ALA D 42 19.754 -4.778 1.916 1.00 0.00 C ATOM 2518 OXT ALA D 42 21.114 -8.024 1.009 1.00 0.00 O ATOM 0 H ALA D 42 18.278 -7.269 0.830 1.00 0.00 H new ATOM 0 HA ALA D 42 20.536 -5.670 0.144 1.00 0.00 H new ATOM 0 HB1 ALA D 42 20.734 -4.486 2.293 1.00 0.00 H new ATOM 0 HB2 ALA D 42 19.311 -3.943 1.374 1.00 0.00 H new ATOM 0 HB3 ALA D 42 19.110 -5.051 2.752 1.00 0.00 H new