USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 576 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 ASN : amide:sc= -1.85! C(o=-1.8!,f=-4.8!) USER MOD Single : A 37 HIS : no HD1:sc= -9! C(o=-9!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -1.78! C(o=-1.8!,f=-4.6!) USER MOD Single : B 37 HIS : no HD1:sc= -9.79! C(o=-9.8!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -1.94! C(o=-1.9!,f=-5!) USER MOD Single : C 37 HIS : no HD1:sc= -9.34! C(o=-9.3!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -1.74! C(o=-1.7!,f=-4.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.49! C(o=-9.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -6.170 12.287 1.445 1.00 0.00 N ATOM 124 CA VAL A 28 -6.986 11.810 2.556 1.00 0.00 C ATOM 125 C VAL A 28 -7.652 10.484 2.201 1.00 0.00 C ATOM 126 O VAL A 28 -7.671 9.553 3.006 1.00 0.00 O ATOM 127 CB VAL A 28 -8.058 12.847 2.901 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.972 12.297 3.997 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.384 14.129 3.396 1.00 0.00 C ATOM 0 HA VAL A 28 -6.338 11.658 3.419 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.650 13.065 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.734 13.037 4.241 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.452 11.384 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.382 12.078 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.146 14.869 3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.791 13.909 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.734 14.523 2.615 1.00 0.00 H new ATOM 139 N ALA A 29 -8.200 10.407 0.992 1.00 0.00 N ATOM 140 CA ALA A 29 -8.867 9.189 0.544 1.00 0.00 C ATOM 141 C ALA A 29 -7.884 8.026 0.497 1.00 0.00 C ATOM 142 O ALA A 29 -8.217 6.905 0.884 1.00 0.00 O ATOM 143 CB ALA A 29 -9.470 9.402 -0.844 1.00 0.00 C ATOM 0 H ALA A 29 -8.196 11.166 0.310 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.661 8.953 1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.966 8.487 -1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.196 10.214 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.679 9.657 -1.549 1.00 0.00 H new ATOM 149 N ALA A 30 -6.672 8.294 0.025 1.00 0.00 N ATOM 150 CA ALA A 30 -5.656 7.253 -0.061 1.00 0.00 C ATOM 151 C ALA A 30 -5.301 6.740 1.329 1.00 0.00 C ATOM 152 O ALA A 30 -5.132 5.539 1.534 1.00 0.00 O ATOM 153 CB ALA A 30 -4.398 7.798 -0.742 1.00 0.00 C ATOM 0 H ALA A 30 -6.371 9.213 -0.301 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.057 6.430 -0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.646 7.011 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.647 8.138 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.004 8.634 -0.164 1.00 0.00 H new ATOM 159 N ASN A 31 -5.189 7.661 2.282 1.00 0.00 N ATOM 160 CA ASN A 31 -4.854 7.285 3.650 1.00 0.00 C ATOM 161 C ASN A 31 -5.961 6.431 4.268 1.00 0.00 C ATOM 162 O ASN A 31 -5.688 5.416 4.901 1.00 0.00 O ATOM 163 CB ASN A 31 -4.647 8.541 4.498 1.00 0.00 C ATOM 164 CG ASN A 31 -4.328 8.154 5.938 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.342 6.970 6.279 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.042 9.084 6.807 1.00 0.00 N ATOM 0 H ASN A 31 -5.324 8.661 2.134 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.934 6.700 3.627 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.834 9.138 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.544 9.160 4.470 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.829 8.832 7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.031 10.063 6.521 1.00 0.00 H new ATOM 173 N ILE A 32 -7.208 6.849 4.079 1.00 0.00 N ATOM 174 CA ILE A 32 -8.338 6.107 4.631 1.00 0.00 C ATOM 175 C ILE A 32 -8.440 4.727 3.987 1.00 0.00 C ATOM 176 O ILE A 32 -8.638 3.723 4.673 1.00 0.00 O ATOM 177 CB ILE A 32 -9.633 6.891 4.396 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.601 8.177 5.228 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.835 6.043 4.824 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.735 9.103 4.784 1.00 0.00 C ATOM 0 H ILE A 32 -7.461 7.687 3.555 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.183 5.977 5.702 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.722 7.136 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.705 7.940 6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.640 8.677 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.754 6.604 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.858 5.124 4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.749 5.797 5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.711 10.017 5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.611 9.350 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.692 8.602 4.929 1.00 0.00 H new ATOM 192 N ILE A 33 -8.295 4.685 2.667 1.00 0.00 N ATOM 193 CA ILE A 33 -8.364 3.426 1.934 1.00 0.00 C ATOM 194 C ILE A 33 -7.213 2.504 2.328 1.00 0.00 C ATOM 195 O ILE A 33 -7.409 1.306 2.535 1.00 0.00 O ATOM 196 CB ILE A 33 -8.325 3.710 0.428 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.631 4.396 0.011 1.00 0.00 C ATOM 198 CG2 ILE A 33 -8.159 2.400 -0.350 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.496 4.929 -1.416 1.00 0.00 C ATOM 0 H ILE A 33 -8.129 5.506 2.084 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.298 2.924 2.185 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.480 4.361 0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.459 3.690 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.859 5.213 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.132 2.612 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.229 1.916 -0.053 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.998 1.739 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.425 5.417 -1.712 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.679 5.649 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.288 4.102 -2.095 1.00 0.00 H new ATOM 211 N GLY A 34 -6.013 3.066 2.432 1.00 0.00 N ATOM 212 CA GLY A 34 -4.842 2.277 2.801 1.00 0.00 C ATOM 213 C GLY A 34 -4.988 1.697 4.204 1.00 0.00 C ATOM 214 O GLY A 34 -4.659 0.535 4.447 1.00 0.00 O ATOM 0 H GLY A 34 -5.826 4.055 2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.704 1.469 2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.950 2.901 2.754 1.00 0.00 H new ATOM 218 N ILE A 35 -5.487 2.513 5.126 1.00 0.00 N ATOM 219 CA ILE A 35 -5.674 2.063 6.500 1.00 0.00 C ATOM 220 C ILE A 35 -6.701 0.932 6.544 1.00 0.00 C ATOM 221 O ILE A 35 -6.502 -0.075 7.228 1.00 0.00 O ATOM 222 CB ILE A 35 -6.154 3.239 7.368 1.00 0.00 C ATOM 223 CG1 ILE A 35 -5.030 4.298 7.502 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.577 2.728 8.753 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.056 3.951 8.636 1.00 0.00 C ATOM 0 H ILE A 35 -5.766 3.478 4.950 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.725 1.693 6.888 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.014 3.707 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.483 4.369 6.562 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.472 5.277 7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.916 3.566 9.362 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.388 2.008 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.728 2.247 9.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.283 4.717 8.698 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.598 3.905 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.594 2.984 8.436 1.00 0.00 H new ATOM 237 N LEU A 36 -7.795 1.101 5.802 1.00 0.00 N ATOM 238 CA LEU A 36 -8.846 0.087 5.760 1.00 0.00 C ATOM 239 C LEU A 36 -8.288 -1.216 5.214 1.00 0.00 C ATOM 240 O LEU A 36 -8.653 -2.301 5.670 1.00 0.00 O ATOM 241 CB LEU A 36 -10.013 0.561 4.883 1.00 0.00 C ATOM 242 CG LEU A 36 -11.131 -0.497 4.856 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.659 -0.761 6.277 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.274 0.012 3.971 1.00 0.00 C ATOM 0 H LEU A 36 -7.975 1.924 5.227 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.213 -0.076 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.405 1.503 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.660 0.752 3.870 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.732 -1.429 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.449 -1.511 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.846 -1.122 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.057 0.164 6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.072 -0.730 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.661 0.946 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.903 0.182 2.960 1.00 0.00 H new ATOM 256 N HIS A 37 -7.395 -1.106 4.238 1.00 0.00 N ATOM 257 CA HIS A 37 -6.796 -2.291 3.647 1.00 0.00 C ATOM 258 C HIS A 37 -6.116 -3.115 4.729 1.00 0.00 C ATOM 259 O HIS A 37 -6.224 -4.341 4.745 1.00 0.00 O ATOM 260 CB HIS A 37 -5.763 -1.896 2.595 1.00 0.00 C ATOM 261 CG HIS A 37 -5.175 -3.144 2.000 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.322 -3.468 0.664 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.452 -4.171 2.554 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.705 -4.645 0.462 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.156 -5.115 1.581 1.00 0.00 N ATOM 0 H HIS A 37 -7.075 -0.221 3.845 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.582 -2.879 3.173 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.229 -1.291 1.817 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.979 -1.287 3.046 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.158 -4.235 3.591 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.660 -5.149 -0.492 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.631 -5.982 1.697 1.00 0.00 H new ATOM 273 N LEU A 38 -5.411 -2.439 5.633 1.00 0.00 N ATOM 274 CA LEU A 38 -4.719 -3.137 6.715 1.00 0.00 C ATOM 275 C LEU A 38 -5.705 -3.878 7.609 1.00 0.00 C ATOM 276 O LEU A 38 -5.416 -4.977 8.076 1.00 0.00 O ATOM 277 CB LEU A 38 -3.872 -2.151 7.555 1.00 0.00 C ATOM 278 CG LEU A 38 -2.446 -2.029 6.976 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.760 -0.780 7.544 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.613 -3.274 7.347 1.00 0.00 C ATOM 0 H LEU A 38 -5.304 -1.425 5.640 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.051 -3.869 6.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.350 -1.172 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.823 -2.495 8.588 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.516 -1.950 5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.754 -0.698 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.335 0.106 7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.702 -0.858 8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.609 -3.177 6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.552 -3.361 8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.089 -4.165 6.938 1.00 0.00 H new ATOM 292 N ILE A 39 -6.856 -3.283 7.862 1.00 0.00 N ATOM 293 CA ILE A 39 -7.834 -3.932 8.721 1.00 0.00 C ATOM 294 C ILE A 39 -8.206 -5.308 8.165 1.00 0.00 C ATOM 295 O ILE A 39 -8.165 -6.304 8.887 1.00 0.00 O ATOM 296 CB ILE A 39 -9.091 -3.061 8.814 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.709 -1.641 9.265 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.081 -3.675 9.805 1.00 0.00 C ATOM 299 CD1 ILE A 39 -7.922 -1.678 10.582 1.00 0.00 C ATOM 0 H ILE A 39 -7.135 -2.373 7.496 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.400 -4.060 9.713 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.561 -3.009 7.832 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.110 -1.158 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.610 -1.041 9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.971 -3.049 9.865 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.361 -4.673 9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.617 -3.741 10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.663 -0.662 10.880 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.533 -2.139 11.358 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.010 -2.259 10.445 1.00 0.00 H new ATOM 311 N LEU A 40 -8.563 -5.361 6.885 1.00 0.00 N ATOM 312 CA LEU A 40 -8.935 -6.631 6.258 1.00 0.00 C ATOM 313 C LEU A 40 -7.724 -7.560 6.103 1.00 0.00 C ATOM 314 O LEU A 40 -7.816 -8.760 6.361 1.00 0.00 O ATOM 315 CB LEU A 40 -9.571 -6.366 4.885 1.00 0.00 C ATOM 316 CG LEU A 40 -11.032 -5.943 5.068 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.095 -4.684 5.937 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.654 -5.651 3.701 1.00 0.00 C ATOM 0 H LEU A 40 -8.603 -4.552 6.266 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.656 -7.128 6.907 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.019 -5.585 4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.516 -7.263 4.268 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.584 -6.747 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.135 -4.383 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.653 -4.892 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.542 -3.879 5.452 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.694 -5.350 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.102 -4.847 3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.611 -6.547 3.082 1.00 0.00 H new ATOM 330 N TRP A 41 -6.595 -7.003 5.670 1.00 0.00 N ATOM 331 CA TRP A 41 -5.381 -7.799 5.471 1.00 0.00 C ATOM 332 C TRP A 41 -4.883 -8.372 6.798 1.00 0.00 C ATOM 333 O TRP A 41 -4.444 -9.524 6.862 1.00 0.00 O ATOM 334 CB TRP A 41 -4.303 -6.943 4.796 1.00 0.00 C ATOM 335 CG TRP A 41 -3.041 -7.731 4.625 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.777 -8.583 3.604 1.00 0.00 C ATOM 337 CD2 TRP A 41 -1.837 -7.695 5.443 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.506 -9.102 3.774 1.00 0.00 N ATOM 339 CE2 TRP A 41 -0.885 -8.576 4.887 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.491 -6.994 6.609 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.368 -8.754 5.468 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.228 -7.166 7.191 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.697 -8.043 6.620 1.00 0.00 C ATOM 0 H TRP A 41 -6.493 -6.012 5.451 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.613 -8.641 4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.659 -6.599 3.825 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.106 -6.055 5.397 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.449 -8.818 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.080 -9.790 3.152 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.202 -6.318 7.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.079 -9.438 5.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.031 -6.618 8.085 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.669 -8.170 7.072 1.00 0.00 H new ATOM 354 N ILE A 42 -4.973 -7.575 7.856 1.00 0.00 N ATOM 355 CA ILE A 42 -4.544 -8.022 9.177 1.00 0.00 C ATOM 356 C ILE A 42 -5.388 -9.220 9.612 1.00 0.00 C ATOM 357 O ILE A 42 -4.862 -10.214 10.112 1.00 0.00 O ATOM 358 CB ILE A 42 -4.694 -6.865 10.184 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.533 -5.879 10.007 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.689 -7.400 11.624 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.865 -4.568 10.720 1.00 0.00 C ATOM 0 H ILE A 42 -5.336 -6.622 7.827 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.498 -8.325 9.141 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.642 -6.361 9.998 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.615 -6.304 10.414 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.357 -5.695 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.796 -6.569 12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.519 -8.094 11.757 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.749 -7.917 11.817 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.040 -3.867 10.595 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.772 -4.141 10.293 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.020 -4.760 11.782 1.00 0.00 H new ATOM 373 N LEU A 43 -6.695 -9.116 9.411 1.00 0.00 N ATOM 374 CA LEU A 43 -7.603 -10.195 9.779 1.00 0.00 C ATOM 375 C LEU A 43 -7.287 -11.448 8.970 1.00 0.00 C ATOM 376 O LEU A 43 -7.333 -12.559 9.494 1.00 0.00 O ATOM 377 CB LEU A 43 -9.053 -9.769 9.531 1.00 0.00 C ATOM 378 CG LEU A 43 -9.457 -8.667 10.525 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.777 -8.040 10.067 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.627 -9.247 11.945 1.00 0.00 C ATOM 0 H LEU A 43 -7.148 -8.301 8.998 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.472 -10.415 10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.164 -9.406 8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.716 -10.627 9.638 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.672 -7.911 10.553 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.070 -7.258 10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.650 -7.609 9.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.552 -8.806 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.913 -8.450 12.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.403 -10.013 11.935 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.686 -9.688 12.273 1.00 0.00 H new ATOM 633 N VAL B 28 -0.144 11.327 -7.896 1.00 0.00 N ATOM 634 CA VAL B 28 -1.324 10.861 -8.615 1.00 0.00 C ATOM 635 C VAL B 28 -1.131 9.423 -9.088 1.00 0.00 C ATOM 636 O VAL B 28 -2.029 8.592 -8.960 1.00 0.00 O ATOM 637 CB VAL B 28 -1.595 11.766 -9.819 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.771 11.213 -10.626 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.933 13.177 -9.331 1.00 0.00 C ATOM 0 HA VAL B 28 -2.176 10.896 -7.937 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.707 11.800 -10.451 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.961 11.860 -11.482 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.532 10.209 -10.976 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.659 11.176 -9.995 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.126 13.822 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.819 13.140 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.095 13.575 -8.759 1.00 0.00 H new ATOM 649 N ALA B 29 0.045 9.140 -9.640 1.00 0.00 N ATOM 650 CA ALA B 29 0.340 7.798 -10.133 1.00 0.00 C ATOM 651 C ALA B 29 0.299 6.787 -8.994 1.00 0.00 C ATOM 652 O ALA B 29 -0.210 5.679 -9.155 1.00 0.00 O ATOM 653 CB ALA B 29 1.724 7.774 -10.785 1.00 0.00 C ATOM 0 H ALA B 29 0.802 9.813 -9.757 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.416 7.529 -10.871 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.937 6.769 -11.150 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.746 8.475 -11.619 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.477 8.060 -10.051 1.00 0.00 H new ATOM 659 N ALA B 30 0.838 7.173 -7.843 1.00 0.00 N ATOM 660 CA ALA B 30 0.852 6.284 -6.690 1.00 0.00 C ATOM 661 C ALA B 30 -0.572 5.981 -6.236 1.00 0.00 C ATOM 662 O ALA B 30 -0.896 4.846 -5.889 1.00 0.00 O ATOM 663 CB ALA B 30 1.628 6.926 -5.539 1.00 0.00 C ATOM 0 H ALA B 30 1.266 8.085 -7.685 1.00 0.00 H new ATOM 0 HA ALA B 30 1.340 5.353 -6.979 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.632 6.252 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.654 7.118 -5.854 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.152 7.866 -5.259 1.00 0.00 H new ATOM 669 N ASN B 31 -1.422 7.003 -6.243 1.00 0.00 N ATOM 670 CA ASN B 31 -2.808 6.830 -5.828 1.00 0.00 C ATOM 671 C ASN B 31 -3.548 5.898 -6.786 1.00 0.00 C ATOM 672 O ASN B 31 -4.275 5.007 -6.358 1.00 0.00 O ATOM 673 CB ASN B 31 -3.514 8.187 -5.790 1.00 0.00 C ATOM 674 CG ASN B 31 -4.974 8.004 -5.392 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.436 6.874 -5.226 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.734 9.053 -5.228 1.00 0.00 N ATOM 0 H ASN B 31 -1.178 7.951 -6.529 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.814 6.386 -4.832 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.015 8.846 -5.080 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.452 8.666 -6.767 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.712 8.938 -4.962 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.350 9.988 -5.366 1.00 0.00 H new ATOM 683 N ILE B 32 -3.358 6.111 -8.086 1.00 0.00 N ATOM 684 CA ILE B 32 -4.023 5.280 -9.086 1.00 0.00 C ATOM 685 C ILE B 32 -3.529 3.836 -8.997 1.00 0.00 C ATOM 686 O ILE B 32 -4.322 2.894 -9.034 1.00 0.00 O ATOM 687 CB ILE B 32 -3.752 5.841 -10.486 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.444 7.199 -10.626 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.304 4.882 -11.543 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.944 7.902 -11.890 1.00 0.00 C ATOM 0 H ILE B 32 -2.757 6.842 -8.468 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.096 5.291 -8.894 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.677 5.956 -10.629 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.525 7.064 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.239 7.815 -9.750 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.109 5.285 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.818 3.912 -11.443 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.379 4.766 -11.403 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.438 8.869 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.866 8.050 -11.822 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.171 7.288 -12.762 1.00 0.00 H new ATOM 702 N ILE B 33 -2.218 3.676 -8.872 1.00 0.00 N ATOM 703 CA ILE B 33 -1.620 2.349 -8.770 1.00 0.00 C ATOM 704 C ILE B 33 -2.070 1.648 -7.488 1.00 0.00 C ATOM 705 O ILE B 33 -2.404 0.464 -7.504 1.00 0.00 O ATOM 706 CB ILE B 33 -0.093 2.473 -8.804 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.344 2.917 -10.204 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.550 1.126 -8.463 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.820 3.318 -10.174 1.00 0.00 C ATOM 0 H ILE B 33 -1.549 4.445 -8.839 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.951 1.746 -9.616 1.00 0.00 H new ATOM 0 HB ILE B 33 0.227 3.211 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.190 2.108 -10.918 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.265 3.757 -10.538 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.635 1.224 -8.490 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.238 0.816 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.235 0.378 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.132 3.634 -11.170 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.959 4.140 -9.472 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.422 2.466 -9.859 1.00 0.00 H new ATOM 721 N GLY B 34 -2.075 2.385 -6.381 1.00 0.00 N ATOM 722 CA GLY B 34 -2.484 1.816 -5.100 1.00 0.00 C ATOM 723 C GLY B 34 -3.945 1.375 -5.138 1.00 0.00 C ATOM 724 O GLY B 34 -4.297 0.305 -4.638 1.00 0.00 O ATOM 0 H GLY B 34 -1.804 3.368 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -1.849 0.964 -4.858 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.343 2.553 -4.309 1.00 0.00 H new ATOM 728 N ILE B 35 -4.792 2.203 -5.733 1.00 0.00 N ATOM 729 CA ILE B 35 -6.212 1.883 -5.829 1.00 0.00 C ATOM 730 C ILE B 35 -6.407 0.627 -6.679 1.00 0.00 C ATOM 731 O ILE B 35 -7.184 -0.261 -6.323 1.00 0.00 O ATOM 732 CB ILE B 35 -6.968 3.065 -6.457 1.00 0.00 C ATOM 733 CG1 ILE B 35 -6.955 4.281 -5.497 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.411 2.651 -6.776 1.00 0.00 C ATOM 735 CD1 ILE B 35 -8.085 4.199 -4.460 1.00 0.00 C ATOM 0 H ILE B 35 -4.526 3.093 -6.153 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.606 1.697 -4.830 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.471 3.352 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -5.994 4.330 -4.985 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -7.056 5.201 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -8.941 3.493 -7.221 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.404 1.816 -7.477 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -8.915 2.349 -5.857 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.042 5.070 -3.805 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.047 4.177 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.969 3.292 -3.866 1.00 0.00 H new ATOM 747 N LEU B 36 -5.690 0.558 -7.799 1.00 0.00 N ATOM 748 CA LEU B 36 -5.786 -0.594 -8.691 1.00 0.00 C ATOM 749 C LEU B 36 -5.360 -1.856 -7.959 1.00 0.00 C ATOM 750 O LEU B 36 -5.938 -2.927 -8.157 1.00 0.00 O ATOM 751 CB LEU B 36 -4.902 -0.389 -9.931 1.00 0.00 C ATOM 752 CG LEU B 36 -5.021 -1.594 -10.883 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.479 -1.776 -11.341 1.00 0.00 C ATOM 754 CD2 LEU B 36 -4.126 -1.350 -12.104 1.00 0.00 C ATOM 0 H LEU B 36 -5.041 1.281 -8.108 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.822 -0.698 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.199 0.523 -10.450 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.863 -0.259 -9.627 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.707 -2.498 -10.361 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.545 -2.632 -12.013 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -7.115 -1.947 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.811 -0.878 -11.863 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.202 -2.197 -12.786 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.448 -0.443 -12.615 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.091 -1.237 -11.780 1.00 0.00 H new ATOM 766 N HIS B 37 -4.351 -1.727 -7.108 1.00 0.00 N ATOM 767 CA HIS B 37 -3.866 -2.870 -6.355 1.00 0.00 C ATOM 768 C HIS B 37 -5.006 -3.466 -5.543 1.00 0.00 C ATOM 769 O HIS B 37 -5.153 -4.686 -5.473 1.00 0.00 O ATOM 770 CB HIS B 37 -2.749 -2.447 -5.402 1.00 0.00 C ATOM 771 CG HIS B 37 -2.271 -3.655 -4.647 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.979 -4.128 -4.758 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.906 -4.507 -3.779 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.879 -5.221 -3.982 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.025 -5.496 -3.363 1.00 0.00 N ATOM 0 H HIS B 37 -3.859 -0.852 -6.925 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.479 -3.609 -7.057 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.926 -2.001 -5.960 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.112 -1.688 -4.709 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.936 -4.421 -3.466 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.023 -5.806 -3.874 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.215 -6.266 -2.722 1.00 0.00 H new ATOM 783 N LEU B 38 -5.810 -2.604 -4.930 1.00 0.00 N ATOM 784 CA LEU B 38 -6.934 -3.076 -4.123 1.00 0.00 C ATOM 785 C LEU B 38 -7.932 -3.850 -4.976 1.00 0.00 C ATOM 786 O LEU B 38 -8.500 -4.840 -4.523 1.00 0.00 O ATOM 787 CB LEU B 38 -7.639 -1.894 -3.411 1.00 0.00 C ATOM 788 CG LEU B 38 -7.000 -1.632 -2.031 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.419 -0.250 -1.517 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.460 -2.708 -1.022 1.00 0.00 C ATOM 0 H LEU B 38 -5.709 -1.590 -4.973 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.537 -3.749 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.568 -0.997 -4.027 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.699 -2.115 -3.291 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.916 -1.671 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.965 -0.071 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.086 0.515 -2.218 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.504 -0.210 -1.424 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.004 -2.515 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.545 -2.676 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.156 -3.693 -1.376 1.00 0.00 H new ATOM 802 N ILE B 39 -8.159 -3.402 -6.196 1.00 0.00 N ATOM 803 CA ILE B 39 -9.112 -4.088 -7.055 1.00 0.00 C ATOM 804 C ILE B 39 -8.713 -5.553 -7.233 1.00 0.00 C ATOM 805 O ILE B 39 -9.532 -6.451 -7.038 1.00 0.00 O ATOM 806 CB ILE B 39 -9.154 -3.400 -8.422 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.442 -1.900 -8.242 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.237 -4.038 -9.297 1.00 0.00 C ATOM 809 CD1 ILE B 39 -10.730 -1.682 -7.436 1.00 0.00 C ATOM 0 H ILE B 39 -7.710 -2.585 -6.610 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.097 -4.047 -6.591 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.187 -3.522 -8.911 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -8.604 -1.423 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.534 -1.424 -9.218 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.260 -3.542 -10.267 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -10.016 -5.096 -9.435 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.207 -3.930 -8.812 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.912 -0.613 -7.322 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -11.569 -2.139 -7.960 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.625 -2.139 -6.452 1.00 0.00 H new ATOM 821 N LEU B 40 -7.456 -5.795 -7.599 1.00 0.00 N ATOM 822 CA LEU B 40 -6.977 -7.165 -7.794 1.00 0.00 C ATOM 823 C LEU B 40 -6.879 -7.922 -6.464 1.00 0.00 C ATOM 824 O LEU B 40 -7.262 -9.088 -6.377 1.00 0.00 O ATOM 825 CB LEU B 40 -5.607 -7.140 -8.486 1.00 0.00 C ATOM 826 CG LEU B 40 -5.793 -6.913 -9.990 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.530 -5.589 -10.219 1.00 0.00 C ATOM 828 CD2 LEU B 40 -4.425 -6.861 -10.672 1.00 0.00 C ATOM 0 H LEU B 40 -6.757 -5.071 -7.765 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.697 -7.689 -8.423 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.989 -6.348 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.084 -8.080 -8.312 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.377 -7.731 -10.411 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.663 -5.427 -11.289 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.505 -5.627 -9.734 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.947 -4.770 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.558 -6.700 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.840 -6.043 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.901 -7.803 -10.509 1.00 0.00 H new ATOM 840 N TRP B 41 -6.351 -7.259 -5.437 1.00 0.00 N ATOM 841 CA TRP B 41 -6.196 -7.889 -4.126 1.00 0.00 C ATOM 842 C TRP B 41 -7.558 -8.242 -3.525 1.00 0.00 C ATOM 843 O TRP B 41 -7.724 -9.305 -2.921 1.00 0.00 O ATOM 844 CB TRP B 41 -5.401 -6.963 -3.196 1.00 0.00 C ATOM 845 CG TRP B 41 -5.273 -7.575 -1.834 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.338 -8.485 -1.464 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.045 -7.280 -0.637 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.521 -8.797 -0.130 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.555 -8.071 0.425 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.120 -6.417 -0.376 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.112 -8.007 1.699 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.680 -6.346 0.906 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.175 -7.139 1.940 1.00 0.00 C ATOM 0 H TRP B 41 -6.025 -6.294 -5.485 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.642 -8.820 -4.245 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.411 -6.780 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.899 -5.996 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.575 -8.898 -2.107 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -3.961 -9.479 0.381 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.519 -5.803 -1.170 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.723 -8.625 2.495 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.505 -5.676 1.096 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.609 -7.079 2.927 1.00 0.00 H new ATOM 864 N ILE B 42 -8.530 -7.357 -3.711 1.00 0.00 N ATOM 865 CA ILE B 42 -9.876 -7.593 -3.197 1.00 0.00 C ATOM 866 C ILE B 42 -10.462 -8.845 -3.850 1.00 0.00 C ATOM 867 O ILE B 42 -11.045 -9.695 -3.176 1.00 0.00 O ATOM 868 CB ILE B 42 -10.763 -6.369 -3.497 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.447 -5.252 -2.496 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.252 -6.741 -3.388 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.033 -3.932 -3.004 1.00 0.00 C ATOM 0 H ILE B 42 -8.414 -6.475 -4.210 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.835 -7.745 -2.118 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.557 -6.029 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.864 -5.496 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.369 -5.158 -2.368 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.863 -5.864 -3.603 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.484 -7.529 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.466 -7.094 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.809 -3.137 -2.293 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.595 -3.688 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.113 -4.030 -3.110 1.00 0.00 H new ATOM 883 N LEU B 43 -10.294 -8.952 -5.162 1.00 0.00 N ATOM 884 CA LEU B 43 -10.803 -10.103 -5.897 1.00 0.00 C ATOM 885 C LEU B 43 -10.119 -11.379 -5.418 1.00 0.00 C ATOM 886 O LEU B 43 -10.754 -12.422 -5.296 1.00 0.00 O ATOM 887 CB LEU B 43 -10.561 -9.918 -7.397 1.00 0.00 C ATOM 888 CG LEU B 43 -11.447 -8.785 -7.939 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.972 -8.406 -9.344 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.925 -9.226 -7.998 1.00 0.00 C ATOM 0 H LEU B 43 -9.812 -8.260 -5.736 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.875 -10.186 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.511 -9.688 -7.578 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.780 -10.846 -7.926 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.369 -7.927 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.596 -7.603 -9.735 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.936 -8.071 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.045 -9.274 -9.999 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.533 -8.408 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.021 -10.091 -8.654 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.266 -9.490 -6.997 1.00 0.00 H new ATOM 1143 N VAL C 28 8.798 10.444 -1.723 1.00 0.00 N ATOM 1144 CA VAL C 28 9.468 9.747 -2.816 1.00 0.00 C ATOM 1145 C VAL C 28 9.817 8.319 -2.408 1.00 0.00 C ATOM 1146 O VAL C 28 9.611 7.378 -3.173 1.00 0.00 O ATOM 1147 CB VAL C 28 10.746 10.496 -3.205 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.497 9.706 -4.278 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.380 11.877 -3.749 1.00 0.00 C ATOM 0 HA VAL C 28 8.791 9.713 -3.670 1.00 0.00 H new ATOM 0 HB VAL C 28 11.383 10.608 -2.327 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.406 10.240 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.758 8.722 -3.889 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.862 9.592 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.289 12.411 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.743 11.765 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.847 12.440 -2.983 1.00 0.00 H new ATOM 1159 N ALA C 29 10.349 8.165 -1.197 1.00 0.00 N ATOM 1160 CA ALA C 29 10.725 6.846 -0.702 1.00 0.00 C ATOM 1161 C ALA C 29 9.503 5.941 -0.601 1.00 0.00 C ATOM 1162 O ALA C 29 9.564 4.760 -0.940 1.00 0.00 O ATOM 1163 CB ALA C 29 11.379 6.971 0.675 1.00 0.00 C ATOM 0 H ALA C 29 10.527 8.931 -0.547 1.00 0.00 H new ATOM 0 HA ALA C 29 11.433 6.406 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.657 5.981 1.037 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.271 7.593 0.599 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.676 7.428 1.371 1.00 0.00 H new ATOM 1169 N ALA C 30 8.392 6.500 -0.136 1.00 0.00 N ATOM 1170 CA ALA C 30 7.167 5.726 0.000 1.00 0.00 C ATOM 1171 C ALA C 30 6.679 5.257 -1.366 1.00 0.00 C ATOM 1172 O ALA C 30 6.232 4.121 -1.520 1.00 0.00 O ATOM 1173 CB ALA C 30 6.082 6.572 0.668 1.00 0.00 C ATOM 0 H ALA C 30 8.315 7.476 0.150 1.00 0.00 H new ATOM 0 HA ALA C 30 7.378 4.854 0.620 1.00 0.00 H new ATOM 0 HB1 ALA C 30 5.170 5.983 0.765 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.420 6.883 1.657 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.882 7.454 0.059 1.00 0.00 H new ATOM 1179 N ASN C 31 6.770 6.139 -2.356 1.00 0.00 N ATOM 1180 CA ASN C 31 6.335 5.798 -3.703 1.00 0.00 C ATOM 1181 C ASN C 31 7.206 4.688 -4.289 1.00 0.00 C ATOM 1182 O ASN C 31 6.697 3.740 -4.880 1.00 0.00 O ATOM 1183 CB ASN C 31 6.411 7.034 -4.603 1.00 0.00 C ATOM 1184 CG ASN C 31 5.994 6.673 -6.025 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.729 5.506 -6.318 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.921 7.609 -6.930 1.00 0.00 N ATOM 0 H ASN C 31 7.137 7.085 -2.252 1.00 0.00 H new ATOM 0 HA ASN C 31 5.305 5.445 -3.651 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.762 7.818 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.426 7.432 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.644 7.376 -7.884 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.141 8.574 -6.684 1.00 0.00 H new ATOM 1193 N ILE C 32 8.519 4.813 -4.125 1.00 0.00 N ATOM 1194 CA ILE C 32 9.441 3.811 -4.652 1.00 0.00 C ATOM 1195 C ILE C 32 9.232 2.469 -3.951 1.00 0.00 C ATOM 1196 O ILE C 32 9.183 1.421 -4.595 1.00 0.00 O ATOM 1197 CB ILE C 32 10.885 4.283 -4.454 1.00 0.00 C ATOM 1198 CG1 ILE C 32 11.139 5.508 -5.338 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.854 3.164 -4.851 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.462 6.163 -4.938 1.00 0.00 C ATOM 0 H ILE C 32 8.966 5.589 -3.637 1.00 0.00 H new ATOM 0 HA ILE C 32 9.245 3.681 -5.716 1.00 0.00 H new ATOM 0 HB ILE C 32 11.042 4.542 -3.407 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.170 5.212 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.322 6.221 -5.232 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.880 3.504 -4.709 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.672 2.288 -4.229 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.700 2.904 -5.898 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.642 7.034 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.413 6.473 -3.894 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.275 5.449 -5.067 1.00 0.00 H new ATOM 1212 N ILE C 33 9.099 2.516 -2.631 1.00 0.00 N ATOM 1213 CA ILE C 33 8.886 1.306 -1.844 1.00 0.00 C ATOM 1214 C ILE C 33 7.548 0.658 -2.197 1.00 0.00 C ATOM 1215 O ILE C 33 7.459 -0.559 -2.353 1.00 0.00 O ATOM 1216 CB ILE C 33 8.938 1.648 -0.352 1.00 0.00 C ATOM 1217 CG1 ILE C 33 10.373 2.029 0.026 1.00 0.00 C ATOM 1218 CG2 ILE C 33 8.485 0.447 0.480 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.390 2.640 1.426 1.00 0.00 C ATOM 0 H ILE C 33 9.135 3.376 -2.084 1.00 0.00 H new ATOM 0 HA ILE C 33 9.676 0.592 -2.075 1.00 0.00 H new ATOM 0 HB ILE C 33 8.270 2.485 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE C 33 11.014 1.148 -0.005 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.773 2.740 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE C 33 8.526 0.702 1.539 1.00 0.00 H new ATOM 0 HG22 ILE C 33 7.463 0.182 0.210 1.00 0.00 H new ATOM 0 HG23 ILE C 33 9.143 -0.400 0.285 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.412 2.910 1.693 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.763 3.532 1.442 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.007 1.915 2.144 1.00 0.00 H new ATOM 1231 N GLY C 34 6.508 1.479 -2.319 1.00 0.00 N ATOM 1232 CA GLY C 34 5.181 0.968 -2.649 1.00 0.00 C ATOM 1233 C GLY C 34 5.172 0.316 -4.029 1.00 0.00 C ATOM 1234 O GLY C 34 4.578 -0.747 -4.222 1.00 0.00 O ATOM 0 H GLY C 34 6.557 2.490 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.870 0.242 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.457 1.783 -2.623 1.00 0.00 H new ATOM 1238 N ILE C 35 5.835 0.954 -4.984 1.00 0.00 N ATOM 1239 CA ILE C 35 5.894 0.420 -6.340 1.00 0.00 C ATOM 1240 C ILE C 35 6.632 -0.919 -6.341 1.00 0.00 C ATOM 1241 O ILE C 35 6.199 -1.877 -6.983 1.00 0.00 O ATOM 1242 CB ILE C 35 6.621 1.419 -7.258 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.769 2.700 -7.432 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.896 0.768 -8.622 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.725 2.539 -8.547 1.00 0.00 C ATOM 0 H ILE C 35 6.335 1.833 -4.849 1.00 0.00 H new ATOM 0 HA ILE C 35 4.880 0.265 -6.709 1.00 0.00 H new ATOM 0 HB ILE C 35 7.572 1.696 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.266 2.933 -6.493 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.421 3.543 -7.662 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.411 1.480 -9.268 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.520 -0.115 -8.485 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.952 0.477 -9.083 1.00 0.00 H new ATOM 0 HD11 ILE C 35 4.147 3.458 -8.639 1.00 0.00 H new ATOM 0 HD12 ILE C 35 5.230 2.331 -9.491 1.00 0.00 H new ATOM 0 HD13 ILE C 35 4.057 1.713 -8.303 1.00 0.00 H new ATOM 1257 N LEU C 36 7.744 -0.978 -5.612 1.00 0.00 N ATOM 1258 CA LEU C 36 8.534 -2.204 -5.531 1.00 0.00 C ATOM 1259 C LEU C 36 7.698 -3.322 -4.930 1.00 0.00 C ATOM 1260 O LEU C 36 7.798 -4.478 -5.342 1.00 0.00 O ATOM 1261 CB LEU C 36 9.789 -1.978 -4.678 1.00 0.00 C ATOM 1262 CG LEU C 36 10.635 -3.263 -4.611 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.068 -3.698 -6.022 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.878 -2.995 -3.753 1.00 0.00 C ATOM 0 H LEU C 36 8.117 -0.197 -5.072 1.00 0.00 H new ATOM 0 HA LEU C 36 8.841 -2.486 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.382 -1.167 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.502 -1.672 -3.672 1.00 0.00 H new ATOM 0 HG LEU C 36 10.039 -4.062 -4.170 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.665 -4.608 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.184 -3.888 -6.631 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.662 -2.907 -6.480 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.485 -3.899 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.463 -2.192 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.571 -2.703 -2.749 1.00 0.00 H new ATOM 1276 N HIS C 37 6.866 -2.972 -3.955 1.00 0.00 N ATOM 1277 CA HIS C 37 6.019 -3.961 -3.314 1.00 0.00 C ATOM 1278 C HIS C 37 5.153 -4.647 -4.359 1.00 0.00 C ATOM 1279 O HIS C 37 4.977 -5.864 -4.326 1.00 0.00 O ATOM 1280 CB HIS C 37 5.116 -3.296 -2.278 1.00 0.00 C ATOM 1281 CG HIS C 37 4.260 -4.350 -1.631 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.342 -4.640 -0.281 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.317 -5.206 -2.139 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.473 -5.634 -0.028 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.821 -6.015 -1.125 1.00 0.00 N ATOM 0 H HIS C 37 6.763 -2.022 -3.597 1.00 0.00 H new ATOM 0 HA HIS C 37 6.655 -4.694 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.717 -2.785 -1.526 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.490 -2.541 -2.753 1.00 0.00 H new ATOM 0 HD2 HIS C 37 3.007 -5.245 -3.173 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.322 -6.071 0.948 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.111 -6.743 -1.203 1.00 0.00 H new ATOM 1293 N LEU C 38 4.613 -3.864 -5.288 1.00 0.00 N ATOM 1294 CA LEU C 38 3.764 -4.424 -6.336 1.00 0.00 C ATOM 1295 C LEU C 38 4.541 -5.409 -7.201 1.00 0.00 C ATOM 1296 O LEU C 38 4.001 -6.429 -7.621 1.00 0.00 O ATOM 1297 CB LEU C 38 3.161 -3.303 -7.217 1.00 0.00 C ATOM 1298 CG LEU C 38 1.810 -2.834 -6.643 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.427 -1.481 -7.254 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.709 -3.865 -6.970 1.00 0.00 C ATOM 0 H LEU C 38 4.745 -2.854 -5.338 1.00 0.00 H new ATOM 0 HA LEU C 38 2.949 -4.960 -5.849 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.852 -2.462 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.024 -3.667 -8.235 1.00 0.00 H new ATOM 0 HG LEU C 38 1.905 -2.735 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.471 -1.154 -6.845 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.194 -0.744 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.343 -1.581 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.242 -3.524 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.620 -3.972 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.970 -4.828 -6.530 1.00 0.00 H new ATOM 1312 N ILE C 39 5.794 -5.106 -7.484 1.00 0.00 N ATOM 1313 CA ILE C 39 6.586 -5.996 -8.318 1.00 0.00 C ATOM 1314 C ILE C 39 6.636 -7.398 -7.706 1.00 0.00 C ATOM 1315 O ILE C 39 6.359 -8.385 -8.385 1.00 0.00 O ATOM 1316 CB ILE C 39 8.007 -5.443 -8.452 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.956 -3.993 -8.960 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.817 -6.309 -9.421 1.00 0.00 C ATOM 1319 CD1 ILE C 39 7.164 -3.900 -10.270 1.00 0.00 C ATOM 0 H ILE C 39 6.279 -4.270 -7.158 1.00 0.00 H new ATOM 0 HA ILE C 39 6.123 -6.060 -9.303 1.00 0.00 H new ATOM 0 HB ILE C 39 8.490 -5.461 -7.475 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.495 -3.355 -8.206 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.969 -3.622 -9.116 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.827 -5.908 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.864 -7.331 -9.044 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.337 -6.306 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE C 39 7.142 -2.864 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.641 -4.520 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE C 39 6.145 -4.249 -10.105 1.00 0.00 H new ATOM 1331 N LEU C 40 6.988 -7.480 -6.425 1.00 0.00 N ATOM 1332 CA LEU C 40 7.063 -8.774 -5.748 1.00 0.00 C ATOM 1333 C LEU C 40 5.672 -9.392 -5.549 1.00 0.00 C ATOM 1334 O LEU C 40 5.483 -10.591 -5.757 1.00 0.00 O ATOM 1335 CB LEU C 40 7.762 -8.608 -4.389 1.00 0.00 C ATOM 1336 CG LEU C 40 9.278 -8.543 -4.594 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.620 -7.368 -5.516 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.969 -8.349 -3.240 1.00 0.00 C ATOM 0 H LEU C 40 7.223 -6.678 -5.841 1.00 0.00 H new ATOM 0 HA LEU C 40 7.639 -9.451 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.412 -7.700 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.509 -9.442 -3.735 1.00 0.00 H new ATOM 0 HG LEU C 40 9.623 -9.472 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.699 -7.322 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.129 -7.507 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.275 -6.438 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.048 -8.303 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.624 -7.420 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.727 -9.186 -2.585 1.00 0.00 H new ATOM 1350 N TRP C 41 4.711 -8.573 -5.134 1.00 0.00 N ATOM 1351 CA TRP C 41 3.348 -9.058 -4.897 1.00 0.00 C ATOM 1352 C TRP C 41 2.714 -9.555 -6.196 1.00 0.00 C ATOM 1353 O TRP C 41 2.021 -10.576 -6.213 1.00 0.00 O ATOM 1354 CB TRP C 41 2.505 -7.950 -4.257 1.00 0.00 C ATOM 1355 CG TRP C 41 1.097 -8.417 -4.050 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.653 -9.143 -2.994 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.074 -8.137 -4.867 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.706 -9.359 -3.140 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.200 -8.750 -4.274 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.263 -7.423 -6.061 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.466 -8.657 -4.847 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.537 -7.323 -6.635 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.633 -7.938 -6.029 1.00 0.00 C ATOM 0 H TRP C 41 4.845 -7.578 -4.955 1.00 0.00 H new ATOM 0 HA TRP C 41 3.389 -9.902 -4.209 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.942 -7.658 -3.302 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.511 -7.066 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.261 -9.495 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.273 -9.902 -2.489 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.580 -6.947 -6.540 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.312 -9.138 -4.379 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.671 -6.767 -7.551 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.612 -7.857 -6.477 1.00 0.00 H new ATOM 1374 N ILE C 42 2.971 -8.841 -7.288 1.00 0.00 N ATOM 1375 CA ILE C 42 2.432 -9.230 -8.589 1.00 0.00 C ATOM 1376 C ILE C 42 2.971 -10.606 -8.978 1.00 0.00 C ATOM 1377 O ILE C 42 2.225 -11.471 -9.433 1.00 0.00 O ATOM 1378 CB ILE C 42 2.833 -8.180 -9.645 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.934 -6.946 -9.506 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.686 -8.756 -11.062 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.550 -5.777 -10.275 1.00 0.00 C ATOM 0 H ILE C 42 3.544 -7.997 -7.300 1.00 0.00 H new ATOM 0 HA ILE C 42 1.345 -9.282 -8.535 1.00 0.00 H new ATOM 0 HB ILE C 42 3.875 -7.903 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE C 42 0.938 -7.164 -9.891 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.819 -6.683 -8.454 1.00 0.00 H new ATOM 0 HG21 ILE C 42 2.973 -8.001 -11.793 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.331 -9.628 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.649 -9.048 -11.230 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.911 -4.900 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.537 -5.555 -9.870 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.642 -6.042 -11.328 1.00 0.00 H new ATOM 1393 N LEU C 43 4.270 -10.799 -8.785 1.00 0.00 N ATOM 1394 CA LEU C 43 4.901 -12.071 -9.112 1.00 0.00 C ATOM 1395 C LEU C 43 4.316 -13.185 -8.253 1.00 0.00 C ATOM 1396 O LEU C 43 4.101 -14.298 -8.729 1.00 0.00 O ATOM 1397 CB LEU C 43 6.412 -11.983 -8.888 1.00 0.00 C ATOM 1398 CG LEU C 43 7.046 -11.043 -9.928 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.481 -10.723 -9.501 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.060 -11.704 -11.325 1.00 0.00 C ATOM 0 H LEU C 43 4.904 -10.095 -8.406 1.00 0.00 H new ATOM 0 HA LEU C 43 4.710 -12.295 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.618 -11.617 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.857 -12.975 -8.964 1.00 0.00 H new ATOM 0 HG LEU C 43 6.457 -10.128 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.938 -10.057 -10.233 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.471 -10.238 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.057 -11.646 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.512 -11.023 -12.045 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.639 -12.627 -11.285 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.038 -11.930 -11.631 1.00 0.00 H new ATOM 1653 N VAL D 28 2.775 11.340 7.490 1.00 0.00 N ATOM 1654 CA VAL D 28 3.820 10.648 8.236 1.00 0.00 C ATOM 1655 C VAL D 28 3.302 9.321 8.779 1.00 0.00 C ATOM 1656 O VAL D 28 3.981 8.297 8.695 1.00 0.00 O ATOM 1657 CB VAL D 28 4.302 11.526 9.396 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.322 10.755 10.233 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.951 12.795 8.838 1.00 0.00 C ATOM 0 HA VAL D 28 4.652 10.450 7.561 1.00 0.00 H new ATOM 0 HB VAL D 28 3.453 11.797 10.023 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.664 11.381 11.057 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.858 9.852 10.631 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.172 10.481 9.609 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.294 13.421 9.662 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.800 12.524 8.210 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.222 13.346 8.244 1.00 0.00 H new ATOM 1669 N ALA D 29 2.097 9.346 9.343 1.00 0.00 N ATOM 1670 CA ALA D 29 1.503 8.135 9.901 1.00 0.00 C ATOM 1671 C ALA D 29 1.299 7.086 8.815 1.00 0.00 C ATOM 1672 O ALA D 29 1.541 5.899 9.033 1.00 0.00 O ATOM 1673 CB ALA D 29 0.155 8.464 10.547 1.00 0.00 C ATOM 0 H ALA D 29 1.518 10.182 9.425 1.00 0.00 H new ATOM 0 HA ALA D 29 2.183 7.737 10.654 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.282 7.555 10.961 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.302 9.192 11.345 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.517 8.880 9.796 1.00 0.00 H new ATOM 1679 N ALA D 30 0.855 7.527 7.644 1.00 0.00 N ATOM 1680 CA ALA D 30 0.628 6.609 6.536 1.00 0.00 C ATOM 1681 C ALA D 30 1.939 5.963 6.103 1.00 0.00 C ATOM 1682 O ALA D 30 1.987 4.769 5.814 1.00 0.00 O ATOM 1683 CB ALA D 30 0.008 7.355 5.354 1.00 0.00 C ATOM 0 H ALA D 30 0.647 8.504 7.439 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.057 5.829 6.869 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.158 6.660 4.531 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.944 7.791 5.658 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.683 8.147 5.029 1.00 0.00 H new ATOM 1689 N ASN D 31 3.000 6.761 6.060 1.00 0.00 N ATOM 1690 CA ASN D 31 4.305 6.250 5.661 1.00 0.00 C ATOM 1691 C ASN D 31 4.815 5.221 6.667 1.00 0.00 C ATOM 1692 O ASN D 31 5.313 4.165 6.287 1.00 0.00 O ATOM 1693 CB ASN D 31 5.306 7.402 5.555 1.00 0.00 C ATOM 1694 CG ASN D 31 6.682 6.867 5.173 1.00 0.00 C ATOM 1695 OD1 ASN D 31 6.869 5.655 5.067 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.661 7.701 4.962 1.00 0.00 N ATOM 0 H ASN D 31 2.983 7.754 6.294 1.00 0.00 H new ATOM 0 HA ASN D 31 4.201 5.767 4.690 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.967 8.121 4.809 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.364 7.932 6.506 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.584 7.350 4.708 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.504 8.705 5.050 1.00 0.00 H new ATOM 1703 N ILE D 32 4.693 5.536 7.953 1.00 0.00 N ATOM 1704 CA ILE D 32 5.153 4.624 8.997 1.00 0.00 C ATOM 1705 C ILE D 32 4.339 3.332 8.979 1.00 0.00 C ATOM 1706 O ILE D 32 4.893 2.235 9.066 1.00 0.00 O ATOM 1707 CB ILE D 32 5.030 5.302 10.364 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.021 6.468 10.439 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.354 4.295 11.472 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.708 7.329 11.665 1.00 0.00 C ATOM 0 H ILE D 32 4.284 6.406 8.296 1.00 0.00 H new ATOM 0 HA ILE D 32 6.198 4.375 8.810 1.00 0.00 H new ATOM 0 HB ILE D 32 4.012 5.670 10.495 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.041 6.088 10.499 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.958 7.071 9.533 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.265 4.782 12.443 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.656 3.459 11.420 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.372 3.926 11.342 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.414 8.158 11.717 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.694 7.720 11.585 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.793 6.723 12.567 1.00 0.00 H new ATOM 1722 N ILE D 33 3.025 3.472 8.858 1.00 0.00 N ATOM 1723 CA ILE D 33 2.136 2.317 8.820 1.00 0.00 C ATOM 1724 C ILE D 33 2.401 1.470 7.577 1.00 0.00 C ATOM 1725 O ILE D 33 2.453 0.242 7.654 1.00 0.00 O ATOM 1726 CB ILE D 33 0.679 2.793 8.842 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.366 3.395 10.216 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.260 1.615 8.567 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.976 4.121 10.162 1.00 0.00 C ATOM 0 H ILE D 33 2.551 4.372 8.785 1.00 0.00 H new ATOM 0 HA ILE D 33 2.325 1.696 9.696 1.00 0.00 H new ATOM 0 HB ILE D 33 0.533 3.548 8.070 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.336 2.609 10.971 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.155 4.088 10.509 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.293 1.962 8.584 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.036 1.192 7.588 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.120 0.852 9.333 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.198 4.549 11.140 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.929 4.918 9.419 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.761 3.416 9.888 1.00 0.00 H new ATOM 1741 N GLY D 34 2.566 2.128 6.434 1.00 0.00 N ATOM 1742 CA GLY D 34 2.822 1.417 5.186 1.00 0.00 C ATOM 1743 C GLY D 34 4.141 0.651 5.251 1.00 0.00 C ATOM 1744 O GLY D 34 4.232 -0.494 4.806 1.00 0.00 O ATOM 0 H GLY D 34 2.528 3.143 6.346 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.005 0.724 4.984 1.00 0.00 H new ATOM 0 HA3 GLY D 34 2.850 2.126 4.359 1.00 0.00 H new ATOM 1748 N ILE D 35 5.163 1.290 5.809 1.00 0.00 N ATOM 1749 CA ILE D 35 6.471 0.655 5.925 1.00 0.00 C ATOM 1750 C ILE D 35 6.377 -0.570 6.839 1.00 0.00 C ATOM 1751 O ILE D 35 6.925 -1.628 6.530 1.00 0.00 O ATOM 1752 CB ILE D 35 7.484 1.659 6.497 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.744 2.795 5.477 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.796 0.937 6.840 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.816 2.404 4.450 1.00 0.00 C ATOM 0 H ILE D 35 5.113 2.237 6.185 1.00 0.00 H new ATOM 0 HA ILE D 35 6.803 0.334 4.937 1.00 0.00 H new ATOM 0 HB ILE D 35 7.075 2.098 7.407 1.00 0.00 H new ATOM 0 HG12 ILE D 35 6.816 3.038 4.959 1.00 0.00 H new ATOM 0 HG13 ILE D 35 8.059 3.694 6.007 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.510 1.654 7.245 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.601 0.161 7.580 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.208 0.484 5.939 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.969 3.227 3.752 1.00 0.00 H new ATOM 0 HD12 ILE D 35 9.751 2.186 4.965 1.00 0.00 H new ATOM 0 HD13 ILE D 35 8.490 1.520 3.902 1.00 0.00 H new ATOM 1767 N LEU D 36 5.671 -0.414 7.957 1.00 0.00 N ATOM 1768 CA LEU D 36 5.508 -1.509 8.907 1.00 0.00 C ATOM 1769 C LEU D 36 4.795 -2.675 8.238 1.00 0.00 C ATOM 1770 O LEU D 36 5.111 -3.838 8.492 1.00 0.00 O ATOM 1771 CB LEU D 36 4.706 -1.045 10.130 1.00 0.00 C ATOM 1772 CG LEU D 36 4.550 -2.194 11.143 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.930 -2.687 11.616 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.747 -1.689 12.346 1.00 0.00 C ATOM 0 H LEU D 36 5.206 0.454 8.225 1.00 0.00 H new ATOM 0 HA LEU D 36 6.496 -1.831 9.237 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.209 -0.202 10.603 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.723 -0.694 9.815 1.00 0.00 H new ATOM 0 HG LEU D 36 4.030 -3.024 10.666 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.801 -3.499 12.331 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.501 -3.045 10.760 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.466 -1.866 12.092 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.631 -2.495 13.070 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.274 -0.856 12.812 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.764 -1.355 12.013 1.00 0.00 H new ATOM 1786 N HIS D 37 3.833 -2.357 7.380 1.00 0.00 N ATOM 1787 CA HIS D 37 3.093 -3.392 6.683 1.00 0.00 C ATOM 1788 C HIS D 37 4.056 -4.277 5.906 1.00 0.00 C ATOM 1789 O HIS D 37 3.916 -5.500 5.898 1.00 0.00 O ATOM 1790 CB HIS D 37 2.093 -2.769 5.711 1.00 0.00 C ATOM 1791 CG HIS D 37 1.339 -3.869 5.016 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.028 -4.021 5.149 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.750 -4.887 4.194 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.386 -5.097 4.427 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.660 -5.660 3.822 1.00 0.00 N ATOM 0 H HIS D 37 3.552 -1.403 7.155 1.00 0.00 H new ATOM 0 HA HIS D 37 2.554 -3.988 7.419 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.402 -2.118 6.247 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.613 -2.149 4.981 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.770 -5.061 3.883 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.399 -5.462 4.347 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.659 -6.481 3.217 1.00 0.00 H new ATOM 1803 N LEU D 38 5.034 -3.656 5.253 1.00 0.00 N ATOM 1804 CA LEU D 38 6.011 -4.414 4.474 1.00 0.00 C ATOM 1805 C LEU D 38 6.809 -5.355 5.368 1.00 0.00 C ATOM 1806 O LEU D 38 7.128 -6.472 4.967 1.00 0.00 O ATOM 1807 CB LEU D 38 6.965 -3.466 3.710 1.00 0.00 C ATOM 1808 CG LEU D 38 6.398 -3.134 2.314 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.117 -1.907 1.738 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.600 -4.332 1.361 1.00 0.00 C ATOM 0 H LEU D 38 5.172 -2.645 5.246 1.00 0.00 H new ATOM 0 HA LEU D 38 5.462 -5.012 3.746 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.106 -2.547 4.279 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.945 -3.932 3.609 1.00 0.00 H new ATOM 0 HG LEU D 38 5.333 -2.923 2.411 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.712 -1.678 0.752 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.967 -1.054 2.399 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.183 -2.117 1.653 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.196 -4.087 0.378 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.664 -4.551 1.272 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.082 -5.205 1.759 1.00 0.00 H new ATOM 1822 N ILE D 39 7.145 -4.912 6.565 1.00 0.00 N ATOM 1823 CA ILE D 39 7.920 -5.757 7.459 1.00 0.00 C ATOM 1824 C ILE D 39 7.195 -7.080 7.708 1.00 0.00 C ATOM 1825 O ILE D 39 7.782 -8.150 7.560 1.00 0.00 O ATOM 1826 CB ILE D 39 8.133 -5.032 8.791 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.759 -3.650 8.538 1.00 0.00 C ATOM 1828 CG2 ILE D 39 9.044 -5.859 9.700 1.00 0.00 C ATOM 1829 CD1 ILE D 39 10.054 -3.777 7.724 1.00 0.00 C ATOM 0 H ILE D 39 6.901 -3.994 6.936 1.00 0.00 H new ATOM 0 HA ILE D 39 8.884 -5.967 6.995 1.00 0.00 H new ATOM 0 HB ILE D 39 7.169 -4.903 9.282 1.00 0.00 H new ATOM 0 HG12 ILE D 39 8.050 -3.017 8.005 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.969 -3.162 9.490 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.189 -5.334 10.644 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.584 -6.829 9.890 1.00 0.00 H new ATOM 0 HG23 ILE D 39 10.009 -6.004 9.214 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.478 -2.787 7.558 1.00 0.00 H new ATOM 0 HD12 ILE D 39 10.769 -4.391 8.272 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.836 -4.244 6.764 1.00 0.00 H new ATOM 1841 N LEU D 40 5.920 -7.003 8.084 1.00 0.00 N ATOM 1842 CA LEU D 40 5.137 -8.213 8.344 1.00 0.00 C ATOM 1843 C LEU D 40 4.856 -8.992 7.052 1.00 0.00 C ATOM 1844 O LEU D 40 4.959 -10.218 7.027 1.00 0.00 O ATOM 1845 CB LEU D 40 3.814 -7.838 9.028 1.00 0.00 C ATOM 1846 CG LEU D 40 4.059 -7.587 10.519 1.00 0.00 C ATOM 1847 CD1 LEU D 40 5.086 -6.460 10.686 1.00 0.00 C ATOM 1848 CD2 LEU D 40 2.745 -7.185 11.193 1.00 0.00 C ATOM 0 H LEU D 40 5.411 -6.129 8.215 1.00 0.00 H new ATOM 0 HA LEU D 40 5.721 -8.857 9.001 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.393 -6.947 8.563 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.086 -8.639 8.899 1.00 0.00 H new ATOM 0 HG LEU D 40 4.440 -8.497 10.982 1.00 0.00 H new ATOM 0 HD11 LEU D 40 5.261 -6.281 11.747 1.00 0.00 H new ATOM 0 HD12 LEU D 40 6.022 -6.747 10.208 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.706 -5.550 10.222 1.00 0.00 H new ATOM 0 HD21 LEU D 40 2.920 -7.007 12.254 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.362 -6.275 10.730 1.00 0.00 H new ATOM 0 HD23 LEU D 40 2.016 -7.986 11.075 1.00 0.00 H new ATOM 1860 N TRP D 41 4.487 -8.279 5.992 1.00 0.00 N ATOM 1861 CA TRP D 41 4.180 -8.921 4.713 1.00 0.00 C ATOM 1862 C TRP D 41 5.418 -9.609 4.137 1.00 0.00 C ATOM 1863 O TRP D 41 5.331 -10.713 3.592 1.00 0.00 O ATOM 1864 CB TRP D 41 3.616 -7.885 3.733 1.00 0.00 C ATOM 1865 CG TRP D 41 3.339 -8.516 2.405 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.216 -9.203 2.076 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.149 -8.470 1.196 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.310 -9.613 0.759 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.481 -9.178 0.173 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.393 -7.895 0.897 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.030 -9.305 -1.101 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.944 -8.017 -0.385 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.262 -8.720 -1.380 1.00 0.00 C ATOM 0 H TRP D 41 4.393 -7.263 5.990 1.00 0.00 H new ATOM 0 HA TRP D 41 3.425 -9.690 4.877 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.699 -7.456 4.137 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.325 -7.066 3.612 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.384 -9.398 2.736 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.601 -10.168 0.280 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.930 -7.354 1.662 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.503 -9.854 -1.867 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.900 -7.565 -0.605 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.691 -8.810 -2.367 1.00 0.00 H new ATOM 1884 N ILE D 42 6.570 -8.966 4.281 1.00 0.00 N ATOM 1885 CA ILE D 42 7.821 -9.533 3.786 1.00 0.00 C ATOM 1886 C ILE D 42 8.104 -10.851 4.504 1.00 0.00 C ATOM 1887 O ILE D 42 8.469 -11.846 3.876 1.00 0.00 O ATOM 1888 CB ILE D 42 8.970 -8.534 4.026 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.913 -7.424 2.969 1.00 0.00 C ATOM 1890 CG2 ILE D 42 10.330 -9.245 3.943 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.793 -6.252 3.412 1.00 0.00 C ATOM 0 H ILE D 42 6.666 -8.057 4.734 1.00 0.00 H new ATOM 0 HA ILE D 42 7.739 -9.725 2.716 1.00 0.00 H new ATOM 0 HB ILE D 42 8.857 -8.105 5.022 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.254 -7.806 2.007 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.885 -7.089 2.833 1.00 0.00 H new ATOM 0 HG21 ILE D 42 11.129 -8.524 4.115 1.00 0.00 H new ATOM 0 HG22 ILE D 42 10.378 -10.027 4.700 1.00 0.00 H new ATOM 0 HG23 ILE D 42 10.449 -9.689 2.955 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.753 -5.463 2.661 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.431 -5.865 4.365 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.822 -6.592 3.526 1.00 0.00 H new ATOM 1903 N LEU D 43 7.928 -10.851 5.819 1.00 0.00 N ATOM 1904 CA LEU D 43 8.163 -12.050 6.612 1.00 0.00 C ATOM 1905 C LEU D 43 7.199 -13.155 6.194 1.00 0.00 C ATOM 1906 O LEU D 43 7.575 -14.323 6.125 1.00 0.00 O ATOM 1907 CB LEU D 43 7.982 -11.740 8.101 1.00 0.00 C ATOM 1908 CG LEU D 43 9.112 -10.817 8.587 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.749 -10.270 9.971 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.448 -11.586 8.674 1.00 0.00 C ATOM 0 H LEU D 43 7.625 -10.039 6.356 1.00 0.00 H new ATOM 0 HA LEU D 43 9.185 -12.387 6.440 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.016 -11.264 8.267 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.984 -12.666 8.677 1.00 0.00 H new ATOM 0 HG LEU D 43 9.230 -9.999 7.876 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.545 -9.614 10.323 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.817 -9.708 9.907 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.626 -11.098 10.669 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.233 -10.914 9.020 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.346 -12.415 9.374 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.710 -11.973 7.689 1.00 0.00 H new