USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 606 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 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-11!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 37 HIS : no HD1:sc= -9.37! C(o=-9.4!,f=-11!) USER MOD Single : C 31 SER OG : rot 180:sc= 0 USER MOD Single : C 37 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-12!) USER MOD Single : D 31 SER OG : rot 180:sc= 0 USER MOD Single : D 37 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -13.191 4.877 2.033 1.00 0.00 N ATOM 108 CA VAL A 27 -12.332 5.214 3.163 1.00 0.00 C ATOM 109 C VAL A 27 -12.088 3.984 4.035 1.00 0.00 C ATOM 110 O VAL A 27 -10.951 3.682 4.403 1.00 0.00 O ATOM 111 CB VAL A 27 -12.988 6.316 3.998 1.00 0.00 C ATOM 112 CG1 VAL A 27 -12.154 6.579 5.255 1.00 0.00 C ATOM 113 CG2 VAL A 27 -13.078 7.597 3.167 1.00 0.00 C ATOM 0 HA VAL A 27 -11.374 5.567 2.781 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.989 6.000 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.625 7.364 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.092 5.666 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.151 6.894 4.967 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.545 8.383 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.077 7.911 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.677 7.411 2.275 1.00 0.00 H new ATOM 123 N VAL A 28 -13.166 3.277 4.359 1.00 0.00 N ATOM 124 CA VAL A 28 -13.064 2.079 5.183 1.00 0.00 C ATOM 125 C VAL A 28 -12.268 1.003 4.456 1.00 0.00 C ATOM 126 O VAL A 28 -11.404 0.351 5.042 1.00 0.00 O ATOM 127 CB VAL A 28 -14.462 1.554 5.520 1.00 0.00 C ATOM 128 CG1 VAL A 28 -14.347 0.228 6.275 1.00 0.00 C ATOM 129 CG2 VAL A 28 -15.190 2.575 6.398 1.00 0.00 C ATOM 0 H VAL A 28 -14.114 3.511 4.065 1.00 0.00 H new ATOM 0 HA VAL A 28 -12.546 2.335 6.108 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.021 1.398 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.344 -0.143 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -13.828 -0.501 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.787 0.382 7.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.186 2.203 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.628 2.730 7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.276 3.520 5.862 1.00 0.00 H new ATOM 139 N ALA A 29 -12.564 0.820 3.174 1.00 0.00 N ATOM 140 CA ALA A 29 -11.870 -0.181 2.376 1.00 0.00 C ATOM 141 C ALA A 29 -10.385 0.145 2.287 1.00 0.00 C ATOM 142 O ALA A 29 -9.542 -0.746 2.359 1.00 0.00 O ATOM 143 CB ALA A 29 -12.466 -0.237 0.968 1.00 0.00 C ATOM 0 H ALA A 29 -13.275 1.348 2.669 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.992 -1.151 2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.940 -0.989 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.522 -0.499 1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.361 0.737 0.490 1.00 0.00 H new ATOM 149 N ALA A 30 -10.065 1.424 2.133 1.00 0.00 N ATOM 150 CA ALA A 30 -8.670 1.836 2.034 1.00 0.00 C ATOM 151 C ALA A 30 -7.876 1.325 3.230 1.00 0.00 C ATOM 152 O ALA A 30 -6.818 0.715 3.068 1.00 0.00 O ATOM 153 CB ALA A 30 -8.580 3.361 1.972 1.00 0.00 C ATOM 0 H ALA A 30 -10.742 2.185 2.075 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.248 1.411 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.535 3.661 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -9.124 3.722 1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.017 3.788 2.874 1.00 0.00 H new ATOM 159 N SER A 31 -8.394 1.566 4.428 1.00 0.00 N ATOM 160 CA SER A 31 -7.721 1.116 5.644 1.00 0.00 C ATOM 161 C SER A 31 -7.634 -0.410 5.677 1.00 0.00 C ATOM 162 O SER A 31 -6.603 -0.975 6.042 1.00 0.00 O ATOM 163 CB SER A 31 -8.476 1.612 6.877 1.00 0.00 C ATOM 164 OG SER A 31 -7.784 1.198 8.048 1.00 0.00 O ATOM 0 H SER A 31 -9.269 2.065 4.585 1.00 0.00 H new ATOM 0 HA SER A 31 -6.712 1.527 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.559 2.699 6.854 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.491 1.215 6.881 1.00 0.00 H new ATOM 0 HG SER A 31 -8.264 1.515 8.841 1.00 0.00 H new ATOM 170 N ILE A 32 -8.725 -1.069 5.299 1.00 0.00 N ATOM 171 CA ILE A 32 -8.767 -2.529 5.296 1.00 0.00 C ATOM 172 C ILE A 32 -7.752 -3.094 4.308 1.00 0.00 C ATOM 173 O ILE A 32 -7.071 -4.069 4.604 1.00 0.00 O ATOM 174 CB ILE A 32 -10.174 -3.019 4.937 1.00 0.00 C ATOM 175 CG1 ILE A 32 -11.141 -2.648 6.065 1.00 0.00 C ATOM 176 CG2 ILE A 32 -10.161 -4.543 4.767 1.00 0.00 C ATOM 177 CD1 ILE A 32 -12.578 -2.896 5.608 1.00 0.00 C ATOM 0 H ILE A 32 -9.588 -0.619 4.992 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.513 -2.880 6.296 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.494 -2.551 4.006 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.924 -3.240 6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.011 -1.601 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.163 -4.889 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.469 -4.814 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.842 -5.010 5.699 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.266 -2.632 6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.792 -2.284 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.703 -3.949 5.355 1.00 0.00 H new ATOM 189 N ILE A 33 -7.664 -2.482 3.133 1.00 0.00 N ATOM 190 CA ILE A 33 -6.731 -2.948 2.112 1.00 0.00 C ATOM 191 C ILE A 33 -5.291 -2.884 2.622 1.00 0.00 C ATOM 192 O ILE A 33 -4.520 -3.824 2.431 1.00 0.00 O ATOM 193 CB ILE A 33 -6.875 -2.077 0.854 1.00 0.00 C ATOM 194 CG1 ILE A 33 -8.212 -2.376 0.166 1.00 0.00 C ATOM 195 CG2 ILE A 33 -5.728 -2.361 -0.122 1.00 0.00 C ATOM 196 CD1 ILE A 33 -8.528 -1.255 -0.830 1.00 0.00 C ATOM 0 H ILE A 33 -8.220 -1.670 2.864 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.964 -3.985 1.872 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.842 -1.028 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.162 -3.334 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.007 -2.454 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.842 -1.738 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.776 -2.136 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -5.749 -3.412 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.478 -1.463 -1.322 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.594 -0.305 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.737 -1.199 -1.578 1.00 0.00 H new ATOM 208 N GLY A 34 -4.934 -1.781 3.264 1.00 0.00 N ATOM 209 CA GLY A 34 -3.578 -1.629 3.782 1.00 0.00 C ATOM 210 C GLY A 34 -3.299 -2.619 4.911 1.00 0.00 C ATOM 211 O GLY A 34 -2.303 -3.342 4.881 1.00 0.00 O ATOM 0 H GLY A 34 -5.552 -0.988 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.860 -1.782 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.438 -0.611 4.146 1.00 0.00 H new ATOM 215 N ILE A 35 -4.180 -2.646 5.907 1.00 0.00 N ATOM 216 CA ILE A 35 -4.012 -3.547 7.043 1.00 0.00 C ATOM 217 C ILE A 35 -4.121 -5.012 6.610 1.00 0.00 C ATOM 218 O ILE A 35 -3.343 -5.857 7.052 1.00 0.00 O ATOM 219 CB ILE A 35 -5.072 -3.246 8.109 1.00 0.00 C ATOM 220 CG1 ILE A 35 -4.805 -1.860 8.706 1.00 0.00 C ATOM 221 CG2 ILE A 35 -5.003 -4.300 9.222 1.00 0.00 C ATOM 222 CD1 ILE A 35 -5.997 -1.436 9.566 1.00 0.00 C ATOM 0 H ILE A 35 -5.013 -2.058 5.951 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.017 -3.385 7.458 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.062 -3.269 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.897 -1.881 9.309 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.642 -1.134 7.909 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.758 -4.082 9.977 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.187 -5.288 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.015 -4.280 9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.807 -0.450 9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.895 -1.399 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.139 -2.157 10.371 1.00 0.00 H new ATOM 234 N LEU A 36 -5.102 -5.303 5.761 1.00 0.00 N ATOM 235 CA LEU A 36 -5.323 -6.671 5.294 1.00 0.00 C ATOM 236 C LEU A 36 -4.111 -7.195 4.541 1.00 0.00 C ATOM 237 O LEU A 36 -3.654 -8.310 4.782 1.00 0.00 O ATOM 238 CB LEU A 36 -6.556 -6.714 4.377 1.00 0.00 C ATOM 239 CG LEU A 36 -6.791 -8.156 3.842 1.00 0.00 C ATOM 240 CD1 LEU A 36 -8.291 -8.476 3.828 1.00 0.00 C ATOM 241 CD2 LEU A 36 -6.249 -8.285 2.405 1.00 0.00 C ATOM 0 H LEU A 36 -5.754 -4.616 5.383 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.488 -7.305 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.435 -6.376 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.418 -6.028 3.541 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.269 -8.853 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.444 -9.488 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.688 -8.401 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.808 -7.767 3.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.419 -9.298 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.764 -7.576 1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.180 -8.072 2.399 1.00 0.00 H new ATOM 253 N HIS A 37 -3.583 -6.383 3.639 1.00 0.00 N ATOM 254 CA HIS A 37 -2.415 -6.784 2.872 1.00 0.00 C ATOM 255 C HIS A 37 -1.252 -7.073 3.805 1.00 0.00 C ATOM 256 O HIS A 37 -0.497 -8.023 3.596 1.00 0.00 O ATOM 257 CB HIS A 37 -2.028 -5.685 1.886 1.00 0.00 C ATOM 258 CG HIS A 37 -0.833 -6.134 1.094 1.00 0.00 C ATOM 259 ND1 HIS A 37 -0.877 -6.315 -0.276 1.00 0.00 N ATOM 260 CD2 HIS A 37 0.443 -6.458 1.471 1.00 0.00 C ATOM 261 CE1 HIS A 37 0.341 -6.731 -0.666 1.00 0.00 C ATOM 262 NE2 HIS A 37 1.183 -6.833 0.360 1.00 0.00 N ATOM 0 H HIS A 37 -3.940 -5.453 3.422 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.657 -7.689 2.315 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.862 -5.468 1.218 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.800 -4.763 2.421 1.00 0.00 H new ATOM 0 HD2 HIS A 37 0.817 -6.426 2.484 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.604 -6.955 -1.689 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.160 -7.124 0.334 1.00 0.00 H new ATOM 270 N LEU A 38 -1.108 -6.246 4.834 1.00 0.00 N ATOM 271 CA LEU A 38 -0.023 -6.415 5.792 1.00 0.00 C ATOM 272 C LEU A 38 -0.115 -7.763 6.491 1.00 0.00 C ATOM 273 O LEU A 38 0.905 -8.399 6.739 1.00 0.00 O ATOM 274 CB LEU A 38 -0.059 -5.280 6.835 1.00 0.00 C ATOM 275 CG LEU A 38 0.742 -4.062 6.338 1.00 0.00 C ATOM 276 CD1 LEU A 38 0.280 -2.809 7.081 1.00 0.00 C ATOM 277 CD2 LEU A 38 2.244 -4.271 6.596 1.00 0.00 C ATOM 0 H LEU A 38 -1.725 -5.457 5.025 1.00 0.00 H new ATOM 0 HA LEU A 38 0.920 -6.376 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.091 -4.989 7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.355 -5.633 7.780 1.00 0.00 H new ATOM 0 HG LEU A 38 0.573 -3.945 5.268 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.847 -1.947 6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.781 -2.646 6.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.444 -2.939 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.799 -3.403 6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.415 -4.398 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.584 -5.161 6.066 1.00 0.00 H new ATOM 289 N ILE A 39 -1.324 -8.194 6.820 1.00 0.00 N ATOM 290 CA ILE A 39 -1.490 -9.467 7.505 1.00 0.00 C ATOM 291 C ILE A 39 -0.981 -10.607 6.625 1.00 0.00 C ATOM 292 O ILE A 39 -0.282 -11.502 7.098 1.00 0.00 O ATOM 293 CB ILE A 39 -2.967 -9.694 7.838 1.00 0.00 C ATOM 294 CG1 ILE A 39 -3.412 -8.655 8.871 1.00 0.00 C ATOM 295 CG2 ILE A 39 -3.156 -11.097 8.426 1.00 0.00 C ATOM 296 CD1 ILE A 39 -4.934 -8.697 9.020 1.00 0.00 C ATOM 0 H ILE A 39 -2.190 -7.691 6.628 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.913 -9.445 8.430 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.562 -9.598 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.937 -8.856 9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.094 -7.660 8.560 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.209 -11.254 8.661 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.831 -11.843 7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.563 -11.193 9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.248 -7.957 9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.400 -8.475 8.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.240 -9.690 9.351 1.00 0.00 H new ATOM 308 N LEU A 40 -1.333 -10.577 5.348 1.00 0.00 N ATOM 309 CA LEU A 40 -0.885 -11.621 4.431 1.00 0.00 C ATOM 310 C LEU A 40 0.607 -11.473 4.109 1.00 0.00 C ATOM 311 O LEU A 40 1.351 -12.457 4.097 1.00 0.00 O ATOM 312 CB LEU A 40 -1.710 -11.568 3.134 1.00 0.00 C ATOM 313 CG LEU A 40 -3.044 -12.301 3.324 1.00 0.00 C ATOM 314 CD1 LEU A 40 -3.894 -11.572 4.364 1.00 0.00 C ATOM 315 CD2 LEU A 40 -3.793 -12.338 1.992 1.00 0.00 C ATOM 0 H LEU A 40 -1.917 -9.855 4.926 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.033 -12.586 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.893 -10.531 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.149 -12.024 2.319 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.851 -13.317 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.840 -12.098 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.361 -11.544 5.314 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.088 -10.554 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.742 -12.858 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.981 -11.320 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.191 -12.863 1.250 1.00 0.00 H new ATOM 327 N TRP A 41 1.036 -10.244 3.835 1.00 0.00 N ATOM 328 CA TRP A 41 2.433 -9.991 3.495 1.00 0.00 C ATOM 329 C TRP A 41 3.357 -10.262 4.683 1.00 0.00 C ATOM 330 O TRP A 41 4.393 -10.914 4.537 1.00 0.00 O ATOM 331 CB TRP A 41 2.599 -8.546 3.002 1.00 0.00 C ATOM 332 CG TRP A 41 4.050 -8.220 2.829 1.00 0.00 C ATOM 333 CD1 TRP A 41 4.796 -8.513 1.739 1.00 0.00 C ATOM 334 CD2 TRP A 41 4.925 -7.493 3.737 1.00 0.00 C ATOM 335 NE1 TRP A 41 6.082 -8.044 1.940 1.00 0.00 N ATOM 336 CE2 TRP A 41 6.205 -7.402 3.153 1.00 0.00 C ATOM 337 CE3 TRP A 41 4.733 -6.914 5.004 1.00 0.00 C ATOM 338 CZ2 TRP A 41 7.257 -6.760 3.801 1.00 0.00 C ATOM 339 CZ3 TRP A 41 5.790 -6.259 5.652 1.00 0.00 C ATOM 340 CH2 TRP A 41 7.047 -6.186 5.053 1.00 0.00 C ATOM 0 H TRP A 41 0.443 -9.414 3.841 1.00 0.00 H new ATOM 0 HA TRP A 41 2.717 -10.676 2.696 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.074 -8.415 2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 41 2.147 -7.857 3.715 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.445 -9.028 0.857 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.845 -8.159 1.273 1.00 0.00 H new ATOM 0 HE3 TRP A 41 3.766 -6.974 5.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 8.230 -6.707 3.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 5.630 -5.809 6.620 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.858 -5.684 5.560 1.00 0.00 H new ATOM 351 N ILE A 42 2.983 -9.760 5.850 1.00 0.00 N ATOM 352 CA ILE A 42 3.796 -9.956 7.045 1.00 0.00 C ATOM 353 C ILE A 42 3.827 -11.434 7.432 1.00 0.00 C ATOM 354 O ILE A 42 4.823 -11.923 7.966 1.00 0.00 O ATOM 355 CB ILE A 42 3.237 -9.115 8.208 1.00 0.00 C ATOM 356 CG1 ILE A 42 4.291 -9.000 9.317 1.00 0.00 C ATOM 357 CG2 ILE A 42 1.967 -9.774 8.781 1.00 0.00 C ATOM 358 CD1 ILE A 42 3.824 -7.974 10.351 1.00 0.00 C ATOM 0 H ILE A 42 2.131 -9.219 5.997 1.00 0.00 H new ATOM 0 HA ILE A 42 4.814 -9.632 6.831 1.00 0.00 H new ATOM 0 HB ILE A 42 2.987 -8.122 7.833 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.443 -9.969 9.792 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.249 -8.698 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.582 -9.169 9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.211 -9.848 7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.208 -10.772 9.147 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.570 -7.889 11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.694 -7.005 9.869 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.875 -8.296 10.781 1.00 0.00 H new ATOM 370 N LEU A 43 2.728 -12.137 7.166 1.00 0.00 N ATOM 371 CA LEU A 43 2.646 -13.554 7.503 1.00 0.00 C ATOM 372 C LEU A 43 3.724 -14.340 6.769 1.00 0.00 C ATOM 373 O LEU A 43 4.404 -15.174 7.365 1.00 0.00 O ATOM 374 CB LEU A 43 1.262 -14.100 7.124 1.00 0.00 C ATOM 375 CG LEU A 43 1.198 -15.620 7.357 1.00 0.00 C ATOM 376 CD1 LEU A 43 1.556 -15.947 8.814 1.00 0.00 C ATOM 377 CD2 LEU A 43 -0.219 -16.111 7.056 1.00 0.00 C ATOM 0 H LEU A 43 1.893 -11.754 6.724 1.00 0.00 H new ATOM 0 HA LEU A 43 2.800 -13.665 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.494 -13.603 7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.051 -13.878 6.078 1.00 0.00 H new ATOM 0 HG LEU A 43 1.911 -16.117 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.507 -17.025 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.565 -15.595 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.850 -15.453 9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.273 -17.187 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.926 -15.608 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.469 -15.888 6.019 1.00 0.00 H new ATOM 389 N ASP A 44 3.882 -14.079 5.475 1.00 0.00 N ATOM 390 CA ASP A 44 4.889 -14.786 4.693 1.00 0.00 C ATOM 391 C ASP A 44 6.288 -14.440 5.192 1.00 0.00 C ATOM 392 O ASP A 44 7.183 -15.282 5.204 1.00 0.00 O ATOM 393 CB ASP A 44 4.760 -14.429 3.209 1.00 0.00 C ATOM 394 CG ASP A 44 5.206 -12.991 2.964 1.00 0.00 C ATOM 395 OD1 ASP A 44 6.351 -12.687 3.253 1.00 0.00 O ATOM 396 OD2 ASP A 44 4.399 -12.219 2.484 1.00 0.00 O ATOM 0 H ASP A 44 3.335 -13.394 4.953 1.00 0.00 H new ATOM 0 HA ASP A 44 4.728 -15.857 4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.365 -15.110 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.726 -14.555 2.887 1.00 0.00 H new ATOM 630 N VAL B 28 -10.136 7.901 -6.163 1.00 0.00 N ATOM 631 CA VAL B 28 -10.395 6.717 -6.972 1.00 0.00 C ATOM 632 C VAL B 28 -9.092 5.989 -7.278 1.00 0.00 C ATOM 633 O VAL B 28 -9.016 4.764 -7.183 1.00 0.00 O ATOM 634 CB VAL B 28 -11.086 7.117 -8.278 1.00 0.00 C ATOM 635 CG1 VAL B 28 -11.240 5.888 -9.178 1.00 0.00 C ATOM 636 CG2 VAL B 28 -12.470 7.691 -7.967 1.00 0.00 C ATOM 0 HA VAL B 28 -11.048 6.048 -6.412 1.00 0.00 H new ATOM 0 HB VAL B 28 -10.483 7.868 -8.789 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -11.732 6.177 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -10.256 5.475 -9.402 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -11.841 5.136 -8.667 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -12.963 7.976 -8.896 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -13.069 6.938 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -12.365 8.568 -7.328 1.00 0.00 H new ATOM 646 N ALA B 29 -8.067 6.751 -7.647 1.00 0.00 N ATOM 647 CA ALA B 29 -6.772 6.166 -7.965 1.00 0.00 C ATOM 648 C ALA B 29 -6.188 5.467 -6.745 1.00 0.00 C ATOM 649 O ALA B 29 -5.605 4.392 -6.856 1.00 0.00 O ATOM 650 CB ALA B 29 -5.804 7.255 -8.441 1.00 0.00 C ATOM 0 H ALA B 29 -8.108 7.767 -7.732 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.913 5.434 -8.760 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -4.839 6.806 -8.676 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.207 7.736 -9.332 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.677 7.998 -7.654 1.00 0.00 H new ATOM 656 N ALA B 30 -6.350 6.077 -5.576 1.00 0.00 N ATOM 657 CA ALA B 30 -5.824 5.490 -4.350 1.00 0.00 C ATOM 658 C ALA B 30 -6.340 4.066 -4.177 1.00 0.00 C ATOM 659 O ALA B 30 -5.563 3.140 -3.942 1.00 0.00 O ATOM 660 CB ALA B 30 -6.240 6.335 -3.146 1.00 0.00 C ATOM 0 H ALA B 30 -6.835 6.966 -5.452 1.00 0.00 H new ATOM 0 HA ALA B 30 -4.736 5.466 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -5.843 5.889 -2.234 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -5.847 7.345 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -7.328 6.374 -3.087 1.00 0.00 H new ATOM 666 N SER B 31 -7.651 3.892 -4.303 1.00 0.00 N ATOM 667 CA SER B 31 -8.252 2.570 -4.164 1.00 0.00 C ATOM 668 C SER B 31 -7.738 1.628 -5.252 1.00 0.00 C ATOM 669 O SER B 31 -7.431 0.464 -4.987 1.00 0.00 O ATOM 670 CB SER B 31 -9.774 2.673 -4.253 1.00 0.00 C ATOM 671 OG SER B 31 -10.342 1.381 -4.073 1.00 0.00 O ATOM 0 H SER B 31 -8.313 4.642 -4.499 1.00 0.00 H new ATOM 0 HA SER B 31 -7.973 2.168 -3.190 1.00 0.00 H new ATOM 0 HB2 SER B 31 -10.149 3.357 -3.492 1.00 0.00 H new ATOM 0 HB3 SER B 31 -10.067 3.080 -5.221 1.00 0.00 H new ATOM 0 HG SER B 31 -11.319 1.442 -4.128 1.00 0.00 H new ATOM 677 N ILE B 32 -7.653 2.137 -6.477 1.00 0.00 N ATOM 678 CA ILE B 32 -7.184 1.332 -7.603 1.00 0.00 C ATOM 679 C ILE B 32 -5.738 0.898 -7.388 1.00 0.00 C ATOM 680 O ILE B 32 -5.382 -0.243 -7.663 1.00 0.00 O ATOM 681 CB ILE B 32 -7.301 2.127 -8.909 1.00 0.00 C ATOM 682 CG1 ILE B 32 -8.780 2.347 -9.234 1.00 0.00 C ATOM 683 CG2 ILE B 32 -6.647 1.339 -10.050 1.00 0.00 C ATOM 684 CD1 ILE B 32 -8.906 3.351 -10.381 1.00 0.00 C ATOM 0 H ILE B 32 -7.901 3.097 -6.716 1.00 0.00 H new ATOM 0 HA ILE B 32 -7.809 0.442 -7.671 1.00 0.00 H new ATOM 0 HB ILE B 32 -6.800 3.088 -8.796 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -9.247 1.402 -9.511 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.306 2.717 -8.354 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -6.731 1.905 -10.978 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.595 1.172 -9.820 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -7.150 0.379 -10.164 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -9.959 3.508 -10.613 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -8.454 4.298 -10.087 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -8.394 2.963 -11.262 1.00 0.00 H new ATOM 696 N ILE B 33 -4.907 1.814 -6.903 1.00 0.00 N ATOM 697 CA ILE B 33 -3.499 1.504 -6.670 1.00 0.00 C ATOM 698 C ILE B 33 -3.356 0.368 -5.656 1.00 0.00 C ATOM 699 O ILE B 33 -2.564 -0.552 -5.859 1.00 0.00 O ATOM 700 CB ILE B 33 -2.779 2.757 -6.148 1.00 0.00 C ATOM 701 CG1 ILE B 33 -2.656 3.790 -7.276 1.00 0.00 C ATOM 702 CG2 ILE B 33 -1.378 2.392 -5.641 1.00 0.00 C ATOM 703 CD1 ILE B 33 -2.313 5.157 -6.674 1.00 0.00 C ATOM 0 H ILE B 33 -5.179 2.768 -6.665 1.00 0.00 H new ATOM 0 HA ILE B 33 -3.050 1.186 -7.611 1.00 0.00 H new ATOM 0 HB ILE B 33 -3.359 3.177 -5.326 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -1.882 3.486 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -3.590 3.849 -7.834 1.00 0.00 H new ATOM 0 HG21 ILE B 33 -0.879 3.289 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -1.461 1.666 -4.832 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.797 1.961 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -2.225 5.894 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -3.102 5.460 -5.986 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -1.368 5.090 -6.135 1.00 0.00 H new ATOM 715 N GLY B 34 -4.116 0.433 -4.572 1.00 0.00 N ATOM 716 CA GLY B 34 -4.045 -0.606 -3.550 1.00 0.00 C ATOM 717 C GLY B 34 -4.558 -1.944 -4.077 1.00 0.00 C ATOM 718 O GLY B 34 -3.881 -2.965 -3.964 1.00 0.00 O ATOM 0 H GLY B 34 -4.780 1.182 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -3.014 -0.717 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -4.633 -0.306 -2.683 1.00 0.00 H new ATOM 722 N ILE B 35 -5.758 -1.933 -4.649 1.00 0.00 N ATOM 723 CA ILE B 35 -6.353 -3.156 -5.184 1.00 0.00 C ATOM 724 C ILE B 35 -5.547 -3.693 -6.368 1.00 0.00 C ATOM 725 O ILE B 35 -5.320 -4.899 -6.480 1.00 0.00 O ATOM 726 CB ILE B 35 -7.798 -2.884 -5.622 1.00 0.00 C ATOM 727 CG1 ILE B 35 -8.651 -2.578 -4.387 1.00 0.00 C ATOM 728 CG2 ILE B 35 -8.362 -4.118 -6.336 1.00 0.00 C ATOM 729 CD1 ILE B 35 -10.016 -2.044 -4.827 1.00 0.00 C ATOM 0 H ILE B 35 -6.335 -1.098 -4.754 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.344 -3.909 -4.396 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.817 -2.033 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.778 -3.479 -3.787 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.148 -1.844 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.388 -3.922 -6.646 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -7.754 -4.340 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.345 -4.971 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -10.622 -1.827 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.880 -1.132 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -10.520 -2.793 -5.439 1.00 0.00 H new ATOM 741 N LEU B 36 -5.139 -2.793 -7.259 1.00 0.00 N ATOM 742 CA LEU B 36 -4.381 -3.189 -8.447 1.00 0.00 C ATOM 743 C LEU B 36 -3.067 -3.848 -8.062 1.00 0.00 C ATOM 744 O LEU B 36 -2.712 -4.900 -8.593 1.00 0.00 O ATOM 745 CB LEU B 36 -4.103 -1.954 -9.318 1.00 0.00 C ATOM 746 CG LEU B 36 -3.269 -2.346 -10.572 1.00 0.00 C ATOM 747 CD1 LEU B 36 -3.774 -1.580 -11.801 1.00 0.00 C ATOM 748 CD2 LEU B 36 -1.784 -1.997 -10.354 1.00 0.00 C ATOM 0 H LEU B 36 -5.318 -1.792 -7.184 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.975 -3.910 -9.008 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.045 -1.501 -9.628 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.565 -1.205 -8.736 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.377 -3.419 -10.732 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -3.184 -1.862 -12.673 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.821 -1.825 -11.977 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.676 -0.508 -11.627 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -1.211 -2.276 -11.238 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -1.684 -0.926 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -1.405 -2.542 -9.489 1.00 0.00 H new ATOM 760 N HIS B 37 -2.352 -3.238 -7.131 1.00 0.00 N ATOM 761 CA HIS B 37 -1.085 -3.792 -6.687 1.00 0.00 C ATOM 762 C HIS B 37 -1.298 -5.183 -6.109 1.00 0.00 C ATOM 763 O HIS B 37 -0.493 -6.088 -6.333 1.00 0.00 O ATOM 764 CB HIS B 37 -0.453 -2.886 -5.634 1.00 0.00 C ATOM 765 CG HIS B 37 0.865 -3.471 -5.211 1.00 0.00 C ATOM 766 ND1 HIS B 37 2.068 -2.817 -5.414 1.00 0.00 N ATOM 767 CD2 HIS B 37 1.183 -4.655 -4.601 1.00 0.00 C ATOM 768 CE1 HIS B 37 3.041 -3.608 -4.932 1.00 0.00 C ATOM 769 NE2 HIS B 37 2.555 -4.740 -4.426 1.00 0.00 N ATOM 0 H HIS B 37 -2.624 -2.368 -6.673 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.414 -3.860 -7.544 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.308 -1.884 -6.038 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -1.115 -2.790 -4.774 1.00 0.00 H new ATOM 0 HD2 HIS B 37 0.471 -5.410 -4.301 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.091 -3.356 -4.952 1.00 0.00 H new ATOM 0 HE2 HIS B 37 3.080 -5.505 -4.001 1.00 0.00 H new ATOM 777 N LEU B 38 -2.382 -5.346 -5.364 1.00 0.00 N ATOM 778 CA LEU B 38 -2.690 -6.632 -4.748 1.00 0.00 C ATOM 779 C LEU B 38 -2.873 -7.715 -5.802 1.00 0.00 C ATOM 780 O LEU B 38 -2.451 -8.848 -5.599 1.00 0.00 O ATOM 781 CB LEU B 38 -3.966 -6.514 -3.889 1.00 0.00 C ATOM 782 CG LEU B 38 -3.615 -6.067 -2.457 1.00 0.00 C ATOM 783 CD1 LEU B 38 -4.851 -5.455 -1.793 1.00 0.00 C ATOM 784 CD2 LEU B 38 -3.144 -7.273 -1.624 1.00 0.00 C ATOM 0 H LEU B 38 -3.061 -4.609 -5.171 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.851 -6.913 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -4.651 -5.797 -4.342 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -4.482 -7.474 -3.860 1.00 0.00 H new ATOM 0 HG LEU B 38 -2.815 -5.328 -2.507 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.601 -5.139 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -5.185 -4.593 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -5.649 -6.197 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.899 -6.944 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.939 -8.018 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.260 -7.712 -2.087 1.00 0.00 H new ATOM 796 N ILE B 39 -3.510 -7.376 -6.913 1.00 0.00 N ATOM 797 CA ILE B 39 -3.737 -8.360 -7.960 1.00 0.00 C ATOM 798 C ILE B 39 -2.402 -8.865 -8.506 1.00 0.00 C ATOM 799 O ILE B 39 -2.217 -10.063 -8.704 1.00 0.00 O ATOM 800 CB ILE B 39 -4.558 -7.740 -9.094 1.00 0.00 C ATOM 801 CG1 ILE B 39 -5.960 -7.416 -8.576 1.00 0.00 C ATOM 802 CG2 ILE B 39 -4.670 -8.735 -10.254 1.00 0.00 C ATOM 803 CD1 ILE B 39 -6.705 -6.562 -9.606 1.00 0.00 C ATOM 0 H ILE B 39 -3.873 -6.444 -7.111 1.00 0.00 H new ATOM 0 HA ILE B 39 -4.289 -9.200 -7.537 1.00 0.00 H new ATOM 0 HB ILE B 39 -4.068 -6.831 -9.442 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -6.510 -8.338 -8.387 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -5.894 -6.884 -7.627 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -5.255 -8.291 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -3.673 -8.979 -10.621 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -5.162 -9.644 -9.907 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.704 -6.333 -9.234 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -6.158 -5.634 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -6.784 -7.111 -10.545 1.00 0.00 H new ATOM 815 N LEU B 40 -1.474 -7.949 -8.753 1.00 0.00 N ATOM 816 CA LEU B 40 -0.167 -8.341 -9.270 1.00 0.00 C ATOM 817 C LEU B 40 0.676 -9.022 -8.184 1.00 0.00 C ATOM 818 O LEU B 40 1.319 -10.044 -8.432 1.00 0.00 O ATOM 819 CB LEU B 40 0.576 -7.110 -9.813 1.00 0.00 C ATOM 820 CG LEU B 40 0.101 -6.789 -11.236 1.00 0.00 C ATOM 821 CD1 LEU B 40 -1.375 -6.390 -11.213 1.00 0.00 C ATOM 822 CD2 LEU B 40 0.929 -5.633 -11.797 1.00 0.00 C ATOM 0 H LEU B 40 -1.597 -6.947 -8.607 1.00 0.00 H new ATOM 0 HA LEU B 40 -0.324 -9.055 -10.079 1.00 0.00 H new ATOM 0 HB2 LEU B 40 0.401 -6.254 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU B 40 1.650 -7.296 -9.814 1.00 0.00 H new ATOM 0 HG LEU B 40 0.225 -7.671 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.706 -6.163 -12.226 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -1.968 -7.212 -10.813 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -1.504 -5.510 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU B 40 0.594 -5.403 -12.808 1.00 0.00 H new ATOM 0 HD22 LEU B 40 0.803 -4.755 -11.164 1.00 0.00 H new ATOM 0 HD23 LEU B 40 1.981 -5.916 -11.819 1.00 0.00 H new ATOM 834 N TRP B 41 0.679 -8.442 -6.986 1.00 0.00 N ATOM 835 CA TRP B 41 1.461 -8.994 -5.883 1.00 0.00 C ATOM 836 C TRP B 41 0.929 -10.358 -5.446 1.00 0.00 C ATOM 837 O TRP B 41 1.697 -11.302 -5.258 1.00 0.00 O ATOM 838 CB TRP B 41 1.467 -8.011 -4.703 1.00 0.00 C ATOM 839 CG TRP B 41 2.107 -8.646 -3.505 1.00 0.00 C ATOM 840 CD1 TRP B 41 3.438 -8.702 -3.263 1.00 0.00 C ATOM 841 CD2 TRP B 41 1.459 -9.263 -2.357 1.00 0.00 C ATOM 842 NE1 TRP B 41 3.646 -9.348 -2.059 1.00 0.00 N ATOM 843 CE2 TRP B 41 2.456 -9.704 -1.461 1.00 0.00 C ATOM 844 CE3 TRP B 41 0.115 -9.486 -2.012 1.00 0.00 C ATOM 845 CZ2 TRP B 41 2.130 -10.345 -0.270 1.00 0.00 C ATOM 846 CZ3 TRP B 41 -0.213 -10.123 -0.807 1.00 0.00 C ATOM 847 CH2 TRP B 41 0.793 -10.552 0.059 1.00 0.00 C ATOM 0 H TRP B 41 0.154 -7.598 -6.756 1.00 0.00 H new ATOM 0 HA TRP B 41 2.484 -9.140 -6.231 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.009 -7.106 -4.977 1.00 0.00 H new ATOM 0 HB3 TRP B 41 0.446 -7.712 -4.464 1.00 0.00 H new ATOM 0 HD1 TRP B 41 4.211 -8.307 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP B 41 4.566 -9.538 -1.662 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.671 -9.164 -2.680 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 2.911 -10.681 0.397 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -1.249 -10.282 -0.548 1.00 0.00 H new ATOM 0 HH2 TRP B 41 0.535 -11.045 0.985 1.00 0.00 H new ATOM 858 N ILE B 42 -0.384 -10.456 -5.279 1.00 0.00 N ATOM 859 CA ILE B 42 -0.992 -11.712 -4.856 1.00 0.00 C ATOM 860 C ILE B 42 -0.819 -12.780 -5.935 1.00 0.00 C ATOM 861 O ILE B 42 -0.696 -13.967 -5.634 1.00 0.00 O ATOM 862 CB ILE B 42 -2.489 -11.498 -4.559 1.00 0.00 C ATOM 863 CG1 ILE B 42 -3.029 -12.683 -3.747 1.00 0.00 C ATOM 864 CG2 ILE B 42 -3.282 -11.380 -5.875 1.00 0.00 C ATOM 865 CD1 ILE B 42 -4.440 -12.353 -3.254 1.00 0.00 C ATOM 0 H ILE B 42 -1.042 -9.691 -5.428 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.494 -12.052 -3.948 1.00 0.00 H new ATOM 0 HB ILE B 42 -2.605 -10.577 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -3.047 -13.583 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -2.374 -12.888 -2.901 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -4.338 -11.229 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -2.908 -10.533 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -3.161 -12.294 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -4.829 -13.192 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -4.407 -11.463 -2.625 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -5.090 -12.169 -4.109 1.00 0.00 H new ATOM 877 N LEU B 43 -0.817 -12.350 -7.198 1.00 0.00 N ATOM 878 CA LEU B 43 -0.667 -13.286 -8.305 1.00 0.00 C ATOM 879 C LEU B 43 0.663 -14.022 -8.208 1.00 0.00 C ATOM 880 O LEU B 43 0.715 -15.241 -8.369 1.00 0.00 O ATOM 881 CB LEU B 43 -0.740 -12.528 -9.641 1.00 0.00 C ATOM 882 CG LEU B 43 -0.461 -13.478 -10.816 1.00 0.00 C ATOM 883 CD1 LEU B 43 -1.438 -14.662 -10.784 1.00 0.00 C ATOM 884 CD2 LEU B 43 -0.631 -12.711 -12.129 1.00 0.00 C ATOM 0 H LEU B 43 -0.916 -11.373 -7.474 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.476 -14.015 -8.254 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -1.726 -12.077 -9.757 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.015 -11.714 -9.644 1.00 0.00 H new ATOM 0 HG LEU B 43 0.557 -13.860 -10.736 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.230 -15.328 -11.622 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.318 -15.208 -9.848 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -2.461 -14.292 -10.860 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -0.435 -13.378 -12.968 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -1.650 -12.330 -12.199 1.00 0.00 H new ATOM 0 HD23 LEU B 43 0.070 -11.877 -12.157 1.00 0.00 H new ATOM 896 N ASP B 44 1.738 -13.285 -7.945 1.00 0.00 N ATOM 897 CA ASP B 44 3.052 -13.907 -7.837 1.00 0.00 C ATOM 898 C ASP B 44 3.093 -14.851 -6.639 1.00 0.00 C ATOM 899 O ASP B 44 3.736 -15.901 -6.682 1.00 0.00 O ATOM 900 CB ASP B 44 4.138 -12.836 -7.696 1.00 0.00 C ATOM 901 CG ASP B 44 4.053 -12.166 -6.327 1.00 0.00 C ATOM 902 OD1 ASP B 44 4.185 -12.864 -5.336 1.00 0.00 O ATOM 903 OD2 ASP B 44 3.869 -10.964 -6.293 1.00 0.00 O ATOM 0 H ASP B 44 1.727 -12.275 -7.805 1.00 0.00 H new ATOM 0 HA ASP B 44 3.239 -14.480 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP B 44 5.122 -13.288 -7.826 1.00 0.00 H new ATOM 0 HB3 ASP B 44 4.024 -12.088 -8.481 1.00 0.00 H new ATOM 1137 N VAL C 28 -1.520 14.245 -1.080 1.00 0.00 N ATOM 1138 CA VAL C 28 -0.535 14.159 -2.151 1.00 0.00 C ATOM 1139 C VAL C 28 0.499 13.085 -1.833 1.00 0.00 C ATOM 1140 O VAL C 28 0.866 12.287 -2.695 1.00 0.00 O ATOM 1141 CB VAL C 28 0.159 15.511 -2.334 1.00 0.00 C ATOM 1142 CG1 VAL C 28 1.278 15.381 -3.367 1.00 0.00 C ATOM 1143 CG2 VAL C 28 -0.861 16.543 -2.820 1.00 0.00 C ATOM 0 HA VAL C 28 -1.047 13.892 -3.076 1.00 0.00 H new ATOM 0 HB VAL C 28 0.582 15.831 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL C 28 1.769 16.346 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL C 28 2.006 14.645 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL C 28 0.858 15.059 -4.320 1.00 0.00 H new ATOM 0 HG21 VAL C 28 -0.369 17.507 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL C 28 -1.282 16.218 -3.771 1.00 0.00 H new ATOM 0 HG23 VAL C 28 -1.659 16.640 -2.084 1.00 0.00 H new ATOM 1153 N ALA C 29 0.967 13.074 -0.588 1.00 0.00 N ATOM 1154 CA ALA C 29 1.959 12.094 -0.169 1.00 0.00 C ATOM 1155 C ALA C 29 1.397 10.682 -0.282 1.00 0.00 C ATOM 1156 O ALA C 29 2.093 9.762 -0.701 1.00 0.00 O ATOM 1157 CB ALA C 29 2.381 12.360 1.277 1.00 0.00 C ATOM 0 H ALA C 29 0.678 13.727 0.141 1.00 0.00 H new ATOM 0 HA ALA C 29 2.827 12.183 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA C 29 3.123 11.622 1.581 1.00 0.00 H new ATOM 0 HB2 ALA C 29 2.811 13.359 1.353 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.510 12.289 1.929 1.00 0.00 H new ATOM 1163 N ALA C 30 0.132 10.515 0.086 1.00 0.00 N ATOM 1164 CA ALA C 30 -0.496 9.200 0.017 1.00 0.00 C ATOM 1165 C ALA C 30 -0.365 8.620 -1.387 1.00 0.00 C ATOM 1166 O ALA C 30 0.066 7.479 -1.558 1.00 0.00 O ATOM 1167 CB ALA C 30 -1.974 9.306 0.392 1.00 0.00 C ATOM 0 H ALA C 30 -0.472 11.261 0.430 1.00 0.00 H new ATOM 0 HA ALA C 30 0.009 8.538 0.721 1.00 0.00 H new ATOM 0 HB1 ALA C 30 -2.435 8.320 0.338 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -2.065 9.694 1.407 1.00 0.00 H new ATOM 0 HB3 ALA C 30 -2.478 9.980 -0.301 1.00 0.00 H new ATOM 1173 N SER C 31 -0.730 9.412 -2.389 1.00 0.00 N ATOM 1174 CA SER C 31 -0.640 8.960 -3.774 1.00 0.00 C ATOM 1175 C SER C 31 0.813 8.674 -4.154 1.00 0.00 C ATOM 1176 O SER C 31 1.107 7.677 -4.814 1.00 0.00 O ATOM 1177 CB SER C 31 -1.212 10.022 -4.712 1.00 0.00 C ATOM 1178 OG SER C 31 -1.153 9.548 -6.050 1.00 0.00 O ATOM 0 H SER C 31 -1.087 10.360 -2.272 1.00 0.00 H new ATOM 0 HA SER C 31 -1.218 8.041 -3.871 1.00 0.00 H new ATOM 0 HB2 SER C 31 -2.243 10.247 -4.439 1.00 0.00 H new ATOM 0 HB3 SER C 31 -0.647 10.949 -4.617 1.00 0.00 H new ATOM 0 HG SER C 31 -1.521 10.227 -6.654 1.00 0.00 H new ATOM 1184 N ILE C 32 1.715 9.559 -3.738 1.00 0.00 N ATOM 1185 CA ILE C 32 3.133 9.399 -4.045 1.00 0.00 C ATOM 1186 C ILE C 32 3.682 8.129 -3.403 1.00 0.00 C ATOM 1187 O ILE C 32 4.449 7.400 -4.024 1.00 0.00 O ATOM 1188 CB ILE C 32 3.925 10.616 -3.552 1.00 0.00 C ATOM 1189 CG1 ILE C 32 3.527 11.844 -4.376 1.00 0.00 C ATOM 1190 CG2 ILE C 32 5.426 10.357 -3.723 1.00 0.00 C ATOM 1191 CD1 ILE C 32 4.108 13.102 -3.730 1.00 0.00 C ATOM 0 H ILE C 32 1.491 10.390 -3.190 1.00 0.00 H new ATOM 0 HA ILE C 32 3.241 9.319 -5.127 1.00 0.00 H new ATOM 0 HB ILE C 32 3.705 10.790 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE C 32 3.894 11.744 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE C 32 2.441 11.920 -4.434 1.00 0.00 H new ATOM 0 HG21 ILE C 32 5.987 11.223 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE C 32 5.712 9.480 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE C 32 5.648 10.184 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE C 32 3.825 13.976 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE C 32 3.719 13.203 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE C 32 5.195 13.025 -3.696 1.00 0.00 H new ATOM 1203 N ILE C 33 3.292 7.875 -2.160 1.00 0.00 N ATOM 1204 CA ILE C 33 3.766 6.692 -1.451 1.00 0.00 C ATOM 1205 C ILE C 33 3.353 5.417 -2.185 1.00 0.00 C ATOM 1206 O ILE C 33 4.159 4.501 -2.346 1.00 0.00 O ATOM 1207 CB ILE C 33 3.184 6.683 -0.028 1.00 0.00 C ATOM 1208 CG1 ILE C 33 3.842 7.788 0.808 1.00 0.00 C ATOM 1209 CG2 ILE C 33 3.434 5.326 0.638 1.00 0.00 C ATOM 1210 CD1 ILE C 33 3.002 8.035 2.067 1.00 0.00 C ATOM 0 H ILE C 33 2.655 8.466 -1.626 1.00 0.00 H new ATOM 0 HA ILE C 33 4.855 6.724 -1.405 1.00 0.00 H new ATOM 0 HB ILE C 33 2.110 6.859 -0.088 1.00 0.00 H new ATOM 0 HG12 ILE C 33 4.856 7.497 1.084 1.00 0.00 H new ATOM 0 HG13 ILE C 33 3.921 8.705 0.223 1.00 0.00 H new ATOM 0 HG21 ILE C 33 3.017 5.333 1.645 1.00 0.00 H new ATOM 0 HG22 ILE C 33 2.957 4.540 0.053 1.00 0.00 H new ATOM 0 HG23 ILE C 33 4.506 5.139 0.691 1.00 0.00 H new ATOM 0 HD11 ILE C 33 3.465 8.820 2.665 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.997 8.344 1.779 1.00 0.00 H new ATOM 0 HD13 ILE C 33 2.946 7.118 2.653 1.00 0.00 H new ATOM 1222 N GLY C 34 2.105 5.358 -2.627 1.00 0.00 N ATOM 1223 CA GLY C 34 1.620 4.178 -3.337 1.00 0.00 C ATOM 1224 C GLY C 34 2.319 4.014 -4.684 1.00 0.00 C ATOM 1225 O GLY C 34 2.845 2.946 -4.995 1.00 0.00 O ATOM 0 H GLY C 34 1.416 6.101 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY C 34 1.788 3.290 -2.728 1.00 0.00 H new ATOM 0 HA3 GLY C 34 0.544 4.260 -3.491 1.00 0.00 H new ATOM 1229 N ILE C 35 2.316 5.076 -5.485 1.00 0.00 N ATOM 1230 CA ILE C 35 2.946 5.035 -6.803 1.00 0.00 C ATOM 1231 C ILE C 35 4.460 4.846 -6.686 1.00 0.00 C ATOM 1232 O ILE C 35 5.058 4.074 -7.437 1.00 0.00 O ATOM 1233 CB ILE C 35 2.641 6.329 -7.566 1.00 0.00 C ATOM 1234 CG1 ILE C 35 1.144 6.384 -7.885 1.00 0.00 C ATOM 1235 CG2 ILE C 35 3.441 6.357 -8.876 1.00 0.00 C ATOM 1236 CD1 ILE C 35 0.779 7.779 -8.402 1.00 0.00 C ATOM 0 H ILE C 35 1.887 5.971 -5.247 1.00 0.00 H new ATOM 0 HA ILE C 35 2.538 4.184 -7.349 1.00 0.00 H new ATOM 0 HB ILE C 35 2.920 7.187 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE C 35 0.893 5.631 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE C 35 0.563 6.153 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE C 35 3.222 7.278 -9.416 1.00 0.00 H new ATOM 0 HG22 ILE C 35 4.507 6.312 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE C 35 3.163 5.501 -9.491 1.00 0.00 H new ATOM 0 HD11 ILE C 35 -0.287 7.816 -8.628 1.00 0.00 H new ATOM 0 HD12 ILE C 35 1.014 8.522 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE C 35 1.349 7.993 -9.306 1.00 0.00 H new ATOM 1248 N LEU C 36 5.075 5.573 -5.757 1.00 0.00 N ATOM 1249 CA LEU C 36 6.524 5.499 -5.567 1.00 0.00 C ATOM 1250 C LEU C 36 6.953 4.093 -5.179 1.00 0.00 C ATOM 1251 O LEU C 36 7.905 3.550 -5.737 1.00 0.00 O ATOM 1252 CB LEU C 36 6.955 6.490 -4.476 1.00 0.00 C ATOM 1253 CG LEU C 36 8.491 6.406 -4.233 1.00 0.00 C ATOM 1254 CD1 LEU C 36 9.069 7.810 -4.018 1.00 0.00 C ATOM 1255 CD2 LEU C 36 8.786 5.556 -2.983 1.00 0.00 C ATOM 0 H LEU C 36 4.598 6.217 -5.126 1.00 0.00 H new ATOM 0 HA LEU C 36 7.006 5.757 -6.510 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.683 7.504 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.423 6.273 -3.550 1.00 0.00 H new ATOM 0 HG LEU C 36 8.951 5.947 -5.108 1.00 0.00 H new ATOM 0 HD11 LEU C 36 10.143 7.739 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU C 36 8.880 8.420 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU C 36 8.595 8.270 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU C 36 9.863 5.505 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU C 36 8.312 6.011 -2.113 1.00 0.00 H new ATOM 0 HD23 LEU C 36 8.392 4.550 -3.126 1.00 0.00 H new ATOM 1267 N HIS C 37 6.241 3.501 -4.232 1.00 0.00 N ATOM 1268 CA HIS C 37 6.564 2.153 -3.797 1.00 0.00 C ATOM 1269 C HIS C 37 6.462 1.188 -4.968 1.00 0.00 C ATOM 1270 O HIS C 37 7.285 0.282 -5.114 1.00 0.00 O ATOM 1271 CB HIS C 37 5.616 1.715 -2.683 1.00 0.00 C ATOM 1272 CG HIS C 37 5.985 0.327 -2.242 1.00 0.00 C ATOM 1273 ND1 HIS C 37 6.420 0.047 -0.958 1.00 0.00 N ATOM 1274 CD2 HIS C 37 6.002 -0.870 -2.907 1.00 0.00 C ATOM 1275 CE1 HIS C 37 6.678 -1.271 -0.898 1.00 0.00 C ATOM 1276 NE2 HIS C 37 6.438 -1.876 -2.059 1.00 0.00 N ATOM 0 H HIS C 37 5.446 3.927 -3.756 1.00 0.00 H new ATOM 0 HA HIS C 37 7.585 2.146 -3.416 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.679 2.406 -1.842 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.585 1.736 -3.036 1.00 0.00 H new ATOM 0 HD2 HIS C 37 5.718 -1.010 -3.940 1.00 0.00 H new ATOM 0 HE1 HIS C 37 7.037 -1.778 -0.014 1.00 0.00 H new ATOM 0 HE2 HIS C 37 6.551 -2.866 -2.277 1.00 0.00 H new ATOM 1284 N LEU C 38 5.446 1.384 -5.799 1.00 0.00 N ATOM 1285 CA LEU C 38 5.236 0.517 -6.952 1.00 0.00 C ATOM 1286 C LEU C 38 6.426 0.571 -7.900 1.00 0.00 C ATOM 1287 O LEU C 38 6.811 -0.450 -8.462 1.00 0.00 O ATOM 1288 CB LEU C 38 3.950 0.931 -7.697 1.00 0.00 C ATOM 1289 CG LEU C 38 2.723 0.211 -7.101 1.00 0.00 C ATOM 1290 CD1 LEU C 38 1.451 0.982 -7.459 1.00 0.00 C ATOM 1291 CD2 LEU C 38 2.620 -1.217 -7.666 1.00 0.00 C ATOM 0 H LEU C 38 4.758 2.131 -5.698 1.00 0.00 H new ATOM 0 HA LEU C 38 5.131 -0.507 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.814 2.010 -7.628 1.00 0.00 H new ATOM 0 HB3 LEU C 38 4.042 0.689 -8.756 1.00 0.00 H new ATOM 0 HG LEU C 38 2.836 0.164 -6.018 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.585 0.472 -7.037 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.511 1.992 -7.052 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.349 1.033 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU C 38 1.750 -1.716 -7.238 1.00 0.00 H new ATOM 0 HD22 LEU C 38 2.516 -1.173 -8.750 1.00 0.00 H new ATOM 0 HD23 LEU C 38 3.521 -1.775 -7.410 1.00 0.00 H new ATOM 1303 N ILE C 39 6.997 1.752 -8.089 1.00 0.00 N ATOM 1304 CA ILE C 39 8.131 1.883 -8.994 1.00 0.00 C ATOM 1305 C ILE C 39 9.306 1.046 -8.491 1.00 0.00 C ATOM 1306 O ILE C 39 9.959 0.350 -9.265 1.00 0.00 O ATOM 1307 CB ILE C 39 8.552 3.352 -9.096 1.00 0.00 C ATOM 1308 CG1 ILE C 39 7.436 4.145 -9.779 1.00 0.00 C ATOM 1309 CG2 ILE C 39 9.831 3.467 -9.933 1.00 0.00 C ATOM 1310 CD1 ILE C 39 7.719 5.643 -9.655 1.00 0.00 C ATOM 0 H ILE C 39 6.702 2.618 -7.638 1.00 0.00 H new ATOM 0 HA ILE C 39 7.835 1.525 -9.980 1.00 0.00 H new ATOM 0 HB ILE C 39 8.735 3.747 -8.097 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.367 3.864 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.475 3.907 -9.322 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.127 4.514 -10.003 1.00 0.00 H new ATOM 0 HG22 ILE C 39 10.629 2.895 -9.459 1.00 0.00 H new ATOM 0 HG23 ILE C 39 9.648 3.074 -10.933 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.923 6.205 -10.142 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.765 5.919 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE C 39 8.671 5.874 -10.133 1.00 0.00 H new ATOM 1322 N LEU C 40 9.579 1.116 -7.195 1.00 0.00 N ATOM 1323 CA LEU C 40 10.681 0.346 -6.625 1.00 0.00 C ATOM 1324 C LEU C 40 10.331 -1.147 -6.556 1.00 0.00 C ATOM 1325 O LEU C 40 11.152 -2.003 -6.895 1.00 0.00 O ATOM 1326 CB LEU C 40 11.018 0.872 -5.221 1.00 0.00 C ATOM 1327 CG LEU C 40 11.927 2.103 -5.321 1.00 0.00 C ATOM 1328 CD1 LEU C 40 11.177 3.246 -6.005 1.00 0.00 C ATOM 1329 CD2 LEU C 40 12.343 2.540 -3.917 1.00 0.00 C ATOM 0 H LEU C 40 9.063 1.688 -6.526 1.00 0.00 H new ATOM 0 HA LEU C 40 11.550 0.463 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU C 40 10.101 1.130 -4.692 1.00 0.00 H new ATOM 0 HB3 LEU C 40 11.512 0.092 -4.641 1.00 0.00 H new ATOM 0 HG LEU C 40 12.812 1.851 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.827 4.118 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU C 40 10.878 2.937 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.291 3.499 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU C 40 12.989 3.415 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU C 40 11.455 2.789 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU C 40 12.881 1.728 -3.428 1.00 0.00 H new ATOM 1341 N TRP C 41 9.119 -1.451 -6.100 1.00 0.00 N ATOM 1342 CA TRP C 41 8.688 -2.841 -5.973 1.00 0.00 C ATOM 1343 C TRP C 41 8.566 -3.517 -7.339 1.00 0.00 C ATOM 1344 O TRP C 41 9.039 -4.638 -7.529 1.00 0.00 O ATOM 1345 CB TRP C 41 7.355 -2.907 -5.217 1.00 0.00 C ATOM 1346 CG TRP C 41 6.813 -4.303 -5.245 1.00 0.00 C ATOM 1347 CD1 TRP C 41 7.168 -5.299 -4.397 1.00 0.00 C ATOM 1348 CD2 TRP C 41 5.787 -4.857 -6.114 1.00 0.00 C ATOM 1349 NE1 TRP C 41 6.451 -6.435 -4.722 1.00 0.00 N ATOM 1350 CE2 TRP C 41 5.582 -6.208 -5.768 1.00 0.00 C ATOM 1351 CE3 TRP C 41 5.025 -4.322 -7.169 1.00 0.00 C ATOM 1352 CZ2 TRP C 41 4.657 -7.000 -6.443 1.00 0.00 C ATOM 1353 CZ3 TRP C 41 4.087 -5.117 -7.841 1.00 0.00 C ATOM 1354 CH2 TRP C 41 3.905 -6.451 -7.478 1.00 0.00 C ATOM 0 H TRP C 41 8.424 -0.762 -5.815 1.00 0.00 H new ATOM 0 HA TRP C 41 9.447 -3.382 -5.407 1.00 0.00 H new ATOM 0 HB2 TRP C 41 7.497 -2.585 -4.185 1.00 0.00 H new ATOM 0 HB3 TRP C 41 6.638 -2.222 -5.669 1.00 0.00 H new ATOM 0 HD1 TRP C 41 7.892 -5.218 -3.599 1.00 0.00 H new ATOM 0 HE1 TRP C 41 6.552 -7.332 -4.246 1.00 0.00 H new ATOM 0 HE3 TRP C 41 5.164 -3.292 -7.463 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 4.524 -8.035 -6.165 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 3.502 -4.694 -8.644 1.00 0.00 H new ATOM 0 HH2 TRP C 41 3.180 -7.058 -8.000 1.00 0.00 H new ATOM 1365 N ILE C 42 7.929 -2.836 -8.281 1.00 0.00 N ATOM 1366 CA ILE C 42 7.750 -3.393 -9.619 1.00 0.00 C ATOM 1367 C ILE C 42 9.100 -3.542 -10.318 1.00 0.00 C ATOM 1368 O ILE C 42 9.297 -4.456 -11.118 1.00 0.00 O ATOM 1369 CB ILE C 42 6.820 -2.490 -10.448 1.00 0.00 C ATOM 1370 CG1 ILE C 42 6.317 -3.255 -11.680 1.00 0.00 C ATOM 1371 CG2 ILE C 42 7.574 -1.227 -10.909 1.00 0.00 C ATOM 1372 CD1 ILE C 42 5.217 -2.441 -12.365 1.00 0.00 C ATOM 0 H ILE C 42 7.530 -1.907 -8.149 1.00 0.00 H new ATOM 0 HA ILE C 42 7.295 -4.379 -9.528 1.00 0.00 H new ATOM 0 HB ILE C 42 5.974 -2.196 -9.826 1.00 0.00 H new ATOM 0 HG12 ILE C 42 7.139 -3.433 -12.373 1.00 0.00 H new ATOM 0 HG13 ILE C 42 5.933 -4.231 -11.385 1.00 0.00 H new ATOM 0 HG21 ILE C 42 6.904 -0.597 -11.494 1.00 0.00 H new ATOM 0 HG22 ILE C 42 7.924 -0.673 -10.037 1.00 0.00 H new ATOM 0 HG23 ILE C 42 8.428 -1.516 -11.521 1.00 0.00 H new ATOM 0 HD11 ILE C 42 4.857 -2.981 -13.241 1.00 0.00 H new ATOM 0 HD12 ILE C 42 4.392 -2.286 -11.669 1.00 0.00 H new ATOM 0 HD13 ILE C 42 5.617 -1.475 -12.673 1.00 0.00 H new ATOM 1384 N LEU C 43 10.026 -2.633 -10.017 1.00 0.00 N ATOM 1385 CA LEU C 43 11.346 -2.675 -10.633 1.00 0.00 C ATOM 1386 C LEU C 43 12.052 -3.982 -10.297 1.00 0.00 C ATOM 1387 O LEU C 43 12.625 -4.626 -11.175 1.00 0.00 O ATOM 1388 CB LEU C 43 12.191 -1.492 -10.139 1.00 0.00 C ATOM 1389 CG LEU C 43 13.627 -1.589 -10.682 1.00 0.00 C ATOM 1390 CD1 LEU C 43 13.608 -1.667 -12.215 1.00 0.00 C ATOM 1391 CD2 LEU C 43 14.409 -0.349 -10.243 1.00 0.00 C ATOM 0 H LEU C 43 9.887 -1.867 -9.357 1.00 0.00 H new ATOM 0 HA LEU C 43 11.225 -2.609 -11.714 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.737 -0.555 -10.461 1.00 0.00 H new ATOM 0 HB3 LEU C 43 12.208 -1.480 -9.049 1.00 0.00 H new ATOM 0 HG LEU C 43 14.102 -2.488 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU C 43 14.630 -1.735 -12.589 1.00 0.00 H new ATOM 0 HD12 LEU C 43 13.048 -2.548 -12.528 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.133 -0.773 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU C 43 15.429 -0.408 -10.623 1.00 0.00 H new ATOM 0 HD22 LEU C 43 13.926 0.545 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU C 43 14.430 -0.299 -9.154 1.00 0.00 H new ATOM 1403 N ASP C 44 12.011 -4.376 -9.027 1.00 0.00 N ATOM 1404 CA ASP C 44 12.661 -5.614 -8.616 1.00 0.00 C ATOM 1405 C ASP C 44 11.985 -6.814 -9.273 1.00 0.00 C ATOM 1406 O ASP C 44 12.639 -7.793 -9.630 1.00 0.00 O ATOM 1407 CB ASP C 44 12.614 -5.757 -7.091 1.00 0.00 C ATOM 1408 CG ASP C 44 11.192 -6.047 -6.625 1.00 0.00 C ATOM 1409 OD1 ASP C 44 10.643 -7.053 -7.041 1.00 0.00 O ATOM 1410 OD2 ASP C 44 10.675 -5.264 -5.851 1.00 0.00 O ATOM 0 H ASP C 44 11.543 -3.866 -8.278 1.00 0.00 H new ATOM 0 HA ASP C 44 13.702 -5.580 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP C 44 13.278 -6.562 -6.775 1.00 0.00 H new ATOM 0 HB3 ASP C 44 12.977 -4.842 -6.623 1.00 0.00 H new ATOM 1628 N VAL D 27 -7.311 8.650 8.500 1.00 0.00 N ATOM 1629 CA VAL D 27 -6.425 9.404 7.617 1.00 0.00 C ATOM 1630 C VAL D 27 -4.979 9.302 8.096 1.00 0.00 C ATOM 1631 O VAL D 27 -4.068 9.027 7.311 1.00 0.00 O ATOM 1632 CB VAL D 27 -6.856 10.873 7.589 1.00 0.00 C ATOM 1633 CG1 VAL D 27 -5.852 11.689 6.768 1.00 0.00 C ATOM 1634 CG2 VAL D 27 -8.244 10.983 6.956 1.00 0.00 C ATOM 0 HA VAL D 27 -6.491 8.984 6.613 1.00 0.00 H new ATOM 0 HB VAL D 27 -6.888 11.261 8.607 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -6.161 12.734 6.750 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -4.863 11.611 7.220 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -5.816 11.303 5.749 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -8.553 12.028 6.935 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -8.212 10.594 5.938 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -8.958 10.405 7.543 1.00 0.00 H new ATOM 1644 N VAL D 28 -4.777 9.519 9.391 1.00 0.00 N ATOM 1645 CA VAL D 28 -3.442 9.447 9.970 1.00 0.00 C ATOM 1646 C VAL D 28 -2.899 8.027 9.869 1.00 0.00 C ATOM 1647 O VAL D 28 -1.739 7.818 9.506 1.00 0.00 O ATOM 1648 CB VAL D 28 -3.481 9.886 11.437 1.00 0.00 C ATOM 1649 CG1 VAL D 28 -2.104 9.682 12.073 1.00 0.00 C ATOM 1650 CG2 VAL D 28 -3.861 11.364 11.514 1.00 0.00 C ATOM 0 H VAL D 28 -5.517 9.745 10.056 1.00 0.00 H new ATOM 0 HA VAL D 28 -2.785 10.116 9.415 1.00 0.00 H new ATOM 0 HB VAL D 28 -4.219 9.289 11.973 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -2.135 9.995 13.117 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -1.831 8.628 12.018 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -1.364 10.277 11.538 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -3.889 11.679 12.557 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -3.122 11.958 10.976 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -4.843 11.511 11.064 1.00 0.00 H new ATOM 1660 N ALA D 29 -3.743 7.054 10.191 1.00 0.00 N ATOM 1661 CA ALA D 29 -3.335 5.656 10.134 1.00 0.00 C ATOM 1662 C ALA D 29 -2.972 5.264 8.706 1.00 0.00 C ATOM 1663 O ALA D 29 -2.009 4.539 8.482 1.00 0.00 O ATOM 1664 CB ALA D 29 -4.468 4.759 10.637 1.00 0.00 C ATOM 0 H ALA D 29 -4.706 7.205 10.492 1.00 0.00 H new ATOM 0 HA ALA D 29 -2.460 5.526 10.770 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -4.154 3.716 10.591 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -4.709 5.020 11.667 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -5.349 4.901 10.011 1.00 0.00 H new ATOM 1670 N ALA D 30 -3.746 5.749 7.743 1.00 0.00 N ATOM 1671 CA ALA D 30 -3.482 5.430 6.345 1.00 0.00 C ATOM 1672 C ALA D 30 -2.047 5.784 5.977 1.00 0.00 C ATOM 1673 O ALA D 30 -1.322 4.965 5.414 1.00 0.00 O ATOM 1674 CB ALA D 30 -4.448 6.200 5.442 1.00 0.00 C ATOM 0 H ALA D 30 -4.550 6.356 7.900 1.00 0.00 H new ATOM 0 HA ALA D 30 -3.628 4.359 6.202 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.244 5.956 4.399 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.473 5.922 5.686 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.315 7.271 5.597 1.00 0.00 H new ATOM 1680 N SER D 31 -1.638 7.005 6.307 1.00 0.00 N ATOM 1681 CA SER D 31 -0.279 7.448 6.010 1.00 0.00 C ATOM 1682 C SER D 31 0.744 6.598 6.762 1.00 0.00 C ATOM 1683 O SER D 31 1.772 6.211 6.208 1.00 0.00 O ATOM 1684 CB SER D 31 -0.109 8.915 6.400 1.00 0.00 C ATOM 1685 OG SER D 31 1.206 9.341 6.066 1.00 0.00 O ATOM 0 H SER D 31 -2.220 7.699 6.775 1.00 0.00 H new ATOM 0 HA SER D 31 -0.110 7.335 4.939 1.00 0.00 H new ATOM 0 HB2 SER D 31 -0.845 9.529 5.881 1.00 0.00 H new ATOM 0 HB3 SER D 31 -0.284 9.042 7.468 1.00 0.00 H new ATOM 0 HG SER D 31 1.318 10.283 6.314 1.00 0.00 H new ATOM 1691 N ILE D 32 0.454 6.315 8.029 1.00 0.00 N ATOM 1692 CA ILE D 32 1.355 5.517 8.854 1.00 0.00 C ATOM 1693 C ILE D 32 1.496 4.108 8.287 1.00 0.00 C ATOM 1694 O ILE D 32 2.592 3.558 8.247 1.00 0.00 O ATOM 1695 CB ILE D 32 0.838 5.449 10.294 1.00 0.00 C ATOM 1696 CG1 ILE D 32 0.929 6.838 10.929 1.00 0.00 C ATOM 1697 CG2 ILE D 32 1.695 4.469 11.105 1.00 0.00 C ATOM 1698 CD1 ILE D 32 0.180 6.842 12.263 1.00 0.00 C ATOM 0 H ILE D 32 -0.394 6.625 8.505 1.00 0.00 H new ATOM 0 HA ILE D 32 2.334 5.995 8.850 1.00 0.00 H new ATOM 0 HB ILE D 32 -0.198 5.109 10.290 1.00 0.00 H new ATOM 0 HG12 ILE D 32 1.973 7.110 11.086 1.00 0.00 H new ATOM 0 HG13 ILE D 32 0.503 7.584 10.259 1.00 0.00 H new ATOM 0 HG21 ILE D 32 1.324 4.423 12.129 1.00 0.00 H new ATOM 0 HG22 ILE D 32 1.640 3.478 10.654 1.00 0.00 H new ATOM 0 HG23 ILE D 32 2.731 4.808 11.109 1.00 0.00 H new ATOM 0 HD11 ILE D 32 0.246 7.832 12.714 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -0.867 6.589 12.093 1.00 0.00 H new ATOM 0 HD13 ILE D 32 0.627 6.108 12.933 1.00 0.00 H new ATOM 1710 N ILE D 33 0.384 3.526 7.857 1.00 0.00 N ATOM 1711 CA ILE D 33 0.408 2.176 7.306 1.00 0.00 C ATOM 1712 C ILE D 33 1.305 2.109 6.071 1.00 0.00 C ATOM 1713 O ILE D 33 2.101 1.181 5.926 1.00 0.00 O ATOM 1714 CB ILE D 33 -1.021 1.750 6.931 1.00 0.00 C ATOM 1715 CG1 ILE D 33 -1.844 1.517 8.205 1.00 0.00 C ATOM 1716 CG2 ILE D 33 -0.992 0.462 6.102 1.00 0.00 C ATOM 1717 CD1 ILE D 33 -3.333 1.487 7.846 1.00 0.00 C ATOM 0 H ILE D 33 -0.538 3.962 7.878 1.00 0.00 H new ATOM 0 HA ILE D 33 0.809 1.499 8.060 1.00 0.00 H new ATOM 0 HB ILE D 33 -1.478 2.544 6.340 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -1.552 0.577 8.674 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -1.648 2.309 8.928 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -2.011 0.172 5.844 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.420 0.629 5.189 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.525 -0.334 6.682 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -3.922 1.322 8.748 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -3.618 2.438 7.396 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -3.520 0.680 7.138 1.00 0.00 H new ATOM 1729 N GLY D 34 1.177 3.087 5.185 1.00 0.00 N ATOM 1730 CA GLY D 34 1.989 3.105 3.974 1.00 0.00 C ATOM 1731 C GLY D 34 3.468 3.316 4.298 1.00 0.00 C ATOM 1732 O GLY D 34 4.326 2.555 3.850 1.00 0.00 O ATOM 0 H GLY D 34 0.528 3.869 5.278 1.00 0.00 H new ATOM 0 HA2 GLY D 34 1.863 2.166 3.436 1.00 0.00 H new ATOM 0 HA3 GLY D 34 1.643 3.900 3.313 1.00 0.00 H new ATOM 1736 N ILE D 35 3.760 4.357 5.072 1.00 0.00 N ATOM 1737 CA ILE D 35 5.139 4.663 5.443 1.00 0.00 C ATOM 1738 C ILE D 35 5.736 3.559 6.317 1.00 0.00 C ATOM 1739 O ILE D 35 6.888 3.161 6.131 1.00 0.00 O ATOM 1740 CB ILE D 35 5.193 6.000 6.189 1.00 0.00 C ATOM 1741 CG1 ILE D 35 4.821 7.131 5.228 1.00 0.00 C ATOM 1742 CG2 ILE D 35 6.612 6.236 6.726 1.00 0.00 C ATOM 1743 CD1 ILE D 35 4.606 8.426 6.015 1.00 0.00 C ATOM 0 H ILE D 35 3.066 5.000 5.453 1.00 0.00 H new ATOM 0 HA ILE D 35 5.729 4.730 4.529 1.00 0.00 H new ATOM 0 HB ILE D 35 4.490 5.978 7.022 1.00 0.00 H new ATOM 0 HG12 ILE D 35 5.611 7.269 4.490 1.00 0.00 H new ATOM 0 HG13 ILE D 35 3.915 6.872 4.680 1.00 0.00 H new ATOM 0 HG21 ILE D 35 6.647 7.188 7.256 1.00 0.00 H new ATOM 0 HG22 ILE D 35 6.881 5.430 7.409 1.00 0.00 H new ATOM 0 HG23 ILE D 35 7.317 6.258 5.895 1.00 0.00 H new ATOM 0 HD11 ILE D 35 4.341 9.230 5.328 1.00 0.00 H new ATOM 0 HD12 ILE D 35 3.800 8.284 6.735 1.00 0.00 H new ATOM 0 HD13 ILE D 35 5.523 8.687 6.543 1.00 0.00 H new ATOM 1755 N LEU D 36 4.955 3.083 7.284 1.00 0.00 N ATOM 1756 CA LEU D 36 5.421 2.045 8.200 1.00 0.00 C ATOM 1757 C LEU D 36 5.774 0.772 7.448 1.00 0.00 C ATOM 1758 O LEU D 36 6.830 0.180 7.673 1.00 0.00 O ATOM 1759 CB LEU D 36 4.332 1.744 9.241 1.00 0.00 C ATOM 1760 CG LEU D 36 4.797 0.614 10.207 1.00 0.00 C ATOM 1761 CD1 LEU D 36 4.358 0.935 11.642 1.00 0.00 C ATOM 1762 CD2 LEU D 36 4.172 -0.731 9.793 1.00 0.00 C ATOM 0 H LEU D 36 4.000 3.398 7.453 1.00 0.00 H new ATOM 0 HA LEU D 36 6.318 2.409 8.701 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.105 2.646 9.810 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.413 1.445 8.738 1.00 0.00 H new ATOM 0 HG LEU D 36 5.884 0.547 10.156 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.688 0.139 12.310 1.00 0.00 H new ATOM 0 HD12 LEU D 36 4.802 1.880 11.956 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.272 1.015 11.681 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.505 -1.512 10.476 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.085 -0.654 9.831 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.483 -0.980 8.778 1.00 0.00 H new ATOM 1774 N HIS D 37 4.898 0.358 6.548 1.00 0.00 N ATOM 1775 CA HIS D 37 5.145 -0.843 5.770 1.00 0.00 C ATOM 1776 C HIS D 37 6.425 -0.689 4.963 1.00 0.00 C ATOM 1777 O HIS D 37 7.209 -1.631 4.839 1.00 0.00 O ATOM 1778 CB HIS D 37 3.973 -1.114 4.831 1.00 0.00 C ATOM 1779 CG HIS D 37 4.243 -2.372 4.058 1.00 0.00 C ATOM 1780 ND1 HIS D 37 3.445 -3.496 4.167 1.00 0.00 N ATOM 1781 CD2 HIS D 37 5.229 -2.699 3.164 1.00 0.00 C ATOM 1782 CE1 HIS D 37 3.965 -4.438 3.358 1.00 0.00 C ATOM 1783 NE2 HIS D 37 5.050 -4.001 2.724 1.00 0.00 N ATOM 0 H HIS D 37 4.018 0.830 6.340 1.00 0.00 H new ATOM 0 HA HIS D 37 5.253 -1.685 6.454 1.00 0.00 H new ATOM 0 HB2 HIS D 37 3.050 -1.214 5.401 1.00 0.00 H new ATOM 0 HB3 HIS D 37 3.837 -0.275 4.148 1.00 0.00 H new ATOM 0 HD2 HIS D 37 6.026 -2.041 2.850 1.00 0.00 H new ATOM 0 HE1 HIS D 37 3.552 -5.428 3.238 1.00 0.00 H new ATOM 0 HE2 HIS D 37 5.626 -4.514 2.057 1.00 0.00 H new ATOM 1791 N LEU D 38 6.632 0.501 4.417 1.00 0.00 N ATOM 1792 CA LEU D 38 7.820 0.767 3.615 1.00 0.00 C ATOM 1793 C LEU D 38 9.088 0.578 4.436 1.00 0.00 C ATOM 1794 O LEU D 38 10.080 0.067 3.927 1.00 0.00 O ATOM 1795 CB LEU D 38 7.767 2.202 3.056 1.00 0.00 C ATOM 1796 CG LEU D 38 7.024 2.229 1.707 1.00 0.00 C ATOM 1797 CD1 LEU D 38 6.518 3.644 1.425 1.00 0.00 C ATOM 1798 CD2 LEU D 38 7.970 1.801 0.569 1.00 0.00 C ATOM 0 H LEU D 38 5.998 1.294 4.513 1.00 0.00 H new ATOM 0 HA LEU D 38 7.839 0.057 2.789 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.265 2.857 3.768 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.779 2.586 2.928 1.00 0.00 H new ATOM 0 HG LEU D 38 6.183 1.537 1.759 1.00 0.00 H new ATOM 0 HD11 LEU D 38 5.993 3.659 0.470 1.00 0.00 H new ATOM 0 HD12 LEU D 38 5.837 3.952 2.218 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.363 4.331 1.385 1.00 0.00 H new ATOM 0 HD21 LEU D 38 7.433 1.824 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.817 2.486 0.523 1.00 0.00 H new ATOM 0 HD23 LEU D 38 8.331 0.790 0.757 1.00 0.00 H new ATOM 1810 N ILE D 39 9.062 0.999 5.692 1.00 0.00 N ATOM 1811 CA ILE D 39 10.243 0.865 6.533 1.00 0.00 C ATOM 1812 C ILE D 39 10.605 -0.609 6.704 1.00 0.00 C ATOM 1813 O ILE D 39 11.771 -0.984 6.609 1.00 0.00 O ATOM 1814 CB ILE D 39 9.979 1.494 7.905 1.00 0.00 C ATOM 1815 CG1 ILE D 39 9.807 3.005 7.738 1.00 0.00 C ATOM 1816 CG2 ILE D 39 11.169 1.225 8.833 1.00 0.00 C ATOM 1817 CD1 ILE D 39 9.289 3.612 9.044 1.00 0.00 C ATOM 0 H ILE D 39 8.255 1.428 6.144 1.00 0.00 H new ATOM 0 HA ILE D 39 11.075 1.381 6.054 1.00 0.00 H new ATOM 0 HB ILE D 39 9.076 1.060 8.336 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.759 3.461 7.466 1.00 0.00 H new ATOM 0 HG13 ILE D 39 9.110 3.214 6.927 1.00 0.00 H new ATOM 0 HG21 ILE D 39 10.979 1.673 9.808 1.00 0.00 H new ATOM 0 HG22 ILE D 39 11.305 0.150 8.948 1.00 0.00 H new ATOM 0 HG23 ILE D 39 12.071 1.660 8.403 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.168 4.688 8.922 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.328 3.165 9.297 1.00 0.00 H new ATOM 0 HD13 ILE D 39 10.002 3.416 9.844 1.00 0.00 H new ATOM 1829 N LEU D 40 9.605 -1.445 6.958 1.00 0.00 N ATOM 1830 CA LEU D 40 9.859 -2.873 7.130 1.00 0.00 C ATOM 1831 C LEU D 40 10.185 -3.539 5.786 1.00 0.00 C ATOM 1832 O LEU D 40 11.113 -4.345 5.692 1.00 0.00 O ATOM 1833 CB LEU D 40 8.638 -3.553 7.768 1.00 0.00 C ATOM 1834 CG LEU D 40 8.660 -3.357 9.290 1.00 0.00 C ATOM 1835 CD1 LEU D 40 8.514 -1.872 9.627 1.00 0.00 C ATOM 1836 CD2 LEU D 40 7.500 -4.133 9.915 1.00 0.00 C ATOM 0 H LEU D 40 8.628 -1.167 7.048 1.00 0.00 H new ATOM 0 HA LEU D 40 10.720 -2.988 7.788 1.00 0.00 H new ATOM 0 HB2 LEU D 40 7.721 -3.135 7.353 1.00 0.00 H new ATOM 0 HB3 LEU D 40 8.639 -4.617 7.531 1.00 0.00 H new ATOM 0 HG LEU D 40 9.607 -3.723 9.686 1.00 0.00 H new ATOM 0 HD11 LEU D 40 8.530 -1.741 10.709 1.00 0.00 H new ATOM 0 HD12 LEU D 40 9.338 -1.315 9.181 1.00 0.00 H new ATOM 0 HD13 LEU D 40 7.569 -1.500 9.231 1.00 0.00 H new ATOM 0 HD21 LEU D 40 7.512 -3.997 10.996 1.00 0.00 H new ATOM 0 HD22 LEU D 40 6.557 -3.764 9.513 1.00 0.00 H new ATOM 0 HD23 LEU D 40 7.604 -5.193 9.682 1.00 0.00 H new ATOM 1848 N TRP D 41 9.409 -3.209 4.756 1.00 0.00 N ATOM 1849 CA TRP D 41 9.618 -3.798 3.435 1.00 0.00 C ATOM 1850 C TRP D 41 10.952 -3.363 2.831 1.00 0.00 C ATOM 1851 O TRP D 41 11.705 -4.187 2.309 1.00 0.00 O ATOM 1852 CB TRP D 41 8.455 -3.425 2.508 1.00 0.00 C ATOM 1853 CG TRP D 41 8.745 -3.866 1.104 1.00 0.00 C ATOM 1854 CD1 TRP D 41 8.529 -5.110 0.612 1.00 0.00 C ATOM 1855 CD2 TRP D 41 9.246 -3.070 -0.007 1.00 0.00 C ATOM 1856 NE1 TRP D 41 8.902 -5.132 -0.719 1.00 0.00 N ATOM 1857 CE2 TRP D 41 9.343 -3.899 -1.147 1.00 0.00 C ATOM 1858 CE3 TRP D 41 9.629 -1.724 -0.135 1.00 0.00 C ATOM 1859 CZ2 TRP D 41 9.802 -3.409 -2.365 1.00 0.00 C ATOM 1860 CZ3 TRP D 41 10.083 -1.228 -1.366 1.00 0.00 C ATOM 1861 CH2 TRP D 41 10.170 -2.069 -2.476 1.00 0.00 C ATOM 0 H TRP D 41 8.637 -2.544 4.809 1.00 0.00 H new ATOM 0 HA TRP D 41 9.651 -4.882 3.547 1.00 0.00 H new ATOM 0 HB2 TRP D 41 7.536 -3.893 2.861 1.00 0.00 H new ATOM 0 HB3 TRP D 41 8.294 -2.347 2.532 1.00 0.00 H new ATOM 0 HD1 TRP D 41 8.131 -5.946 1.168 1.00 0.00 H new ATOM 0 HE1 TRP D 41 8.856 -5.961 -1.312 1.00 0.00 H new ATOM 0 HE3 TRP D 41 9.573 -1.067 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 9.873 -4.064 -3.221 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 10.367 -0.190 -1.455 1.00 0.00 H new ATOM 0 HH2 TRP D 41 10.522 -1.682 -3.421 1.00 0.00 H new ATOM 1872 N ILE D 42 11.237 -2.070 2.898 1.00 0.00 N ATOM 1873 CA ILE D 42 12.482 -1.548 2.344 1.00 0.00 C ATOM 1874 C ILE D 42 13.679 -2.084 3.126 1.00 0.00 C ATOM 1875 O ILE D 42 14.756 -2.289 2.565 1.00 0.00 O ATOM 1876 CB ILE D 42 12.472 -0.009 2.382 1.00 0.00 C ATOM 1877 CG1 ILE D 42 13.566 0.540 1.457 1.00 0.00 C ATOM 1878 CG2 ILE D 42 12.724 0.493 3.817 1.00 0.00 C ATOM 1879 CD1 ILE D 42 13.394 2.054 1.317 1.00 0.00 C ATOM 0 H ILE D 42 10.632 -1.369 3.325 1.00 0.00 H new ATOM 0 HA ILE D 42 12.568 -1.877 1.308 1.00 0.00 H new ATOM 0 HB ILE D 42 11.496 0.340 2.046 1.00 0.00 H new ATOM 0 HG12 ILE D 42 14.551 0.310 1.863 1.00 0.00 H new ATOM 0 HG13 ILE D 42 13.505 0.063 0.479 1.00 0.00 H new ATOM 0 HG21 ILE D 42 12.714 1.583 3.828 1.00 0.00 H new ATOM 0 HG22 ILE D 42 11.942 0.116 4.477 1.00 0.00 H new ATOM 0 HG23 ILE D 42 13.694 0.135 4.162 1.00 0.00 H new ATOM 0 HD11 ILE D 42 14.169 2.449 0.660 1.00 0.00 H new ATOM 0 HD12 ILE D 42 12.414 2.271 0.893 1.00 0.00 H new ATOM 0 HD13 ILE D 42 13.476 2.522 2.298 1.00 0.00 H new ATOM 1891 N LEU D 43 13.487 -2.304 4.425 1.00 0.00 N ATOM 1892 CA LEU D 43 14.566 -2.807 5.267 1.00 0.00 C ATOM 1893 C LEU D 43 15.041 -4.168 4.771 1.00 0.00 C ATOM 1894 O LEU D 43 16.242 -4.407 4.662 1.00 0.00 O ATOM 1895 CB LEU D 43 14.081 -2.930 6.719 1.00 0.00 C ATOM 1896 CG LEU D 43 15.165 -3.574 7.599 1.00 0.00 C ATOM 1897 CD1 LEU D 43 16.470 -2.771 7.506 1.00 0.00 C ATOM 1898 CD2 LEU D 43 14.680 -3.595 9.051 1.00 0.00 C ATOM 0 H LEU D 43 12.605 -2.144 4.911 1.00 0.00 H new ATOM 0 HA LEU D 43 15.398 -2.105 5.219 1.00 0.00 H new ATOM 0 HB2 LEU D 43 13.827 -1.944 7.108 1.00 0.00 H new ATOM 0 HB3 LEU D 43 13.172 -3.530 6.755 1.00 0.00 H new ATOM 0 HG LEU D 43 15.353 -4.591 7.253 1.00 0.00 H new ATOM 0 HD11 LEU D 43 17.230 -3.237 8.134 1.00 0.00 H new ATOM 0 HD12 LEU D 43 16.814 -2.754 6.472 1.00 0.00 H new ATOM 0 HD13 LEU D 43 16.294 -1.751 7.847 1.00 0.00 H new ATOM 0 HD21 LEU D 43 15.443 -4.050 9.683 1.00 0.00 H new ATOM 0 HD22 LEU D 43 14.492 -2.575 9.387 1.00 0.00 H new ATOM 0 HD23 LEU D 43 13.759 -4.175 9.119 1.00 0.00 H new ATOM 1910 N ASP D 44 14.100 -5.057 4.471 1.00 0.00 N ATOM 1911 CA ASP D 44 14.464 -6.385 3.991 1.00 0.00 C ATOM 1912 C ASP D 44 15.159 -6.287 2.638 1.00 0.00 C ATOM 1913 O ASP D 44 16.077 -7.052 2.341 1.00 0.00 O ATOM 1914 CB ASP D 44 13.216 -7.270 3.877 1.00 0.00 C ATOM 1915 CG ASP D 44 12.339 -6.807 2.718 1.00 0.00 C ATOM 1916 OD1 ASP D 44 12.818 -6.809 1.596 1.00 0.00 O ATOM 1917 OD2 ASP D 44 11.199 -6.468 2.968 1.00 0.00 O ATOM 0 H ASP D 44 13.097 -4.887 4.550 1.00 0.00 H new ATOM 0 HA ASP D 44 15.151 -6.836 4.707 1.00 0.00 H new ATOM 0 HB2 ASP D 44 13.511 -8.308 3.726 1.00 0.00 H new ATOM 0 HB3 ASP D 44 12.650 -7.232 4.807 1.00 0.00 H new