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= -3.83! C(o=-3.8!,f=-11!) USER MOD Single : A 37 HIS : no HD1:sc= -9.23! C(o=-9.2!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -3.82! C(o=-3.8!,f=-11!) USER MOD Single : B 37 HIS : no HD1:sc= -9.42! C(o=-9.4!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -3.96! C(o=-4!,f=-11!) USER MOD Single : C 37 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -3.86! C(o=-3.9!,f=-11!) USER MOD Single : D 37 HIS : no HD1:sc= -9.65! C(o=-9.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.491 12.461 1.243 1.00 0.00 N ATOM 124 CA VAL A 28 -6.351 12.076 2.354 1.00 0.00 C ATOM 125 C VAL A 28 -7.074 10.768 2.045 1.00 0.00 C ATOM 126 O VAL A 28 -7.151 9.877 2.889 1.00 0.00 O ATOM 127 CB VAL A 28 -7.375 13.180 2.624 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.337 12.728 3.726 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.646 14.449 3.073 1.00 0.00 C ATOM 0 HA VAL A 28 -5.731 11.931 3.239 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.938 13.385 1.713 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.066 13.515 3.918 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.855 11.823 3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.776 12.524 4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.373 15.237 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.084 14.243 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.961 14.772 2.289 1.00 0.00 H new ATOM 139 N ALA A 29 -7.605 10.662 0.830 1.00 0.00 N ATOM 140 CA ALA A 29 -8.323 9.458 0.426 1.00 0.00 C ATOM 141 C ALA A 29 -7.387 8.254 0.414 1.00 0.00 C ATOM 142 O ALA A 29 -7.766 7.160 0.829 1.00 0.00 O ATOM 143 CB ALA A 29 -8.921 9.648 -0.970 1.00 0.00 C ATOM 0 H ALA A 29 -7.553 11.387 0.115 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.123 9.279 1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.455 8.744 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.613 10.490 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.122 9.845 -1.684 1.00 0.00 H new ATOM 149 N ALA A 30 -6.165 8.464 -0.059 1.00 0.00 N ATOM 150 CA ALA A 30 -5.191 7.383 -0.119 1.00 0.00 C ATOM 151 C ALA A 30 -4.876 6.870 1.282 1.00 0.00 C ATOM 152 O ALA A 30 -4.738 5.665 1.496 1.00 0.00 O ATOM 153 CB ALA A 30 -3.905 7.874 -0.787 1.00 0.00 C ATOM 0 H ALA A 30 -5.828 9.363 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.615 6.568 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.182 7.059 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.127 8.213 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.488 8.700 -0.211 1.00 0.00 H new ATOM 159 N ASN A 31 -4.763 7.792 2.234 1.00 0.00 N ATOM 160 CA ASN A 31 -4.465 7.414 3.610 1.00 0.00 C ATOM 161 C ASN A 31 -5.592 6.572 4.198 1.00 0.00 C ATOM 162 O ASN A 31 -5.346 5.556 4.845 1.00 0.00 O ATOM 163 CB ASN A 31 -4.271 8.671 4.462 1.00 0.00 C ATOM 164 CG ASN A 31 -4.030 8.284 5.916 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.071 7.103 6.263 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.781 9.217 6.795 1.00 0.00 N ATOM 0 H ASN A 31 -4.872 8.794 2.080 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.550 6.822 3.612 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.426 9.248 4.086 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.151 9.310 4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.620 8.968 7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.747 10.194 6.506 1.00 0.00 H new ATOM 173 N ILE A 32 -6.830 6.999 3.970 1.00 0.00 N ATOM 174 CA ILE A 32 -7.983 6.272 4.486 1.00 0.00 C ATOM 175 C ILE A 32 -8.076 4.889 3.843 1.00 0.00 C ATOM 176 O ILE A 32 -8.316 3.892 4.524 1.00 0.00 O ATOM 177 CB ILE A 32 -9.263 7.065 4.207 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.256 8.348 5.042 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.488 6.225 4.584 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.363 9.281 4.552 1.00 0.00 C ATOM 0 H ILE A 32 -7.059 7.837 3.436 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.864 6.147 5.562 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.308 7.313 3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.406 8.110 6.095 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.288 8.842 4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.395 6.795 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.497 5.309 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.445 5.973 5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.358 10.195 5.146 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.193 9.529 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.328 8.786 4.655 1.00 0.00 H new ATOM 192 N ILE A 33 -7.886 4.842 2.530 1.00 0.00 N ATOM 193 CA ILE A 33 -7.952 3.579 1.801 1.00 0.00 C ATOM 194 C ILE A 33 -6.839 2.637 2.249 1.00 0.00 C ATOM 195 O ILE A 33 -7.067 1.445 2.452 1.00 0.00 O ATOM 196 CB ILE A 33 -7.835 3.843 0.296 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.081 4.592 -0.186 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.721 2.513 -0.455 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.844 5.120 -1.603 1.00 0.00 C ATOM 0 H ILE A 33 -7.686 5.657 1.950 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.911 3.106 2.014 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.946 4.444 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.945 3.927 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.305 5.418 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.638 2.705 -1.525 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.836 1.977 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.608 1.909 -0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.731 5.653 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.991 5.799 -1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.641 4.285 -2.273 1.00 0.00 H new ATOM 211 N GLY A 34 -5.633 3.177 2.395 1.00 0.00 N ATOM 212 CA GLY A 34 -4.492 2.367 2.812 1.00 0.00 C ATOM 213 C GLY A 34 -4.725 1.767 4.194 1.00 0.00 C ATOM 214 O GLY A 34 -4.483 0.581 4.418 1.00 0.00 O ATOM 0 H GLY A 34 -5.421 4.161 2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.324 1.569 2.089 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.591 2.980 2.825 1.00 0.00 H new ATOM 218 N ILE A 35 -5.202 2.592 5.119 1.00 0.00 N ATOM 219 CA ILE A 35 -5.468 2.124 6.473 1.00 0.00 C ATOM 220 C ILE A 35 -6.561 1.060 6.462 1.00 0.00 C ATOM 221 O ILE A 35 -6.446 0.037 7.136 1.00 0.00 O ATOM 222 CB ILE A 35 -5.895 3.299 7.360 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.706 4.241 7.560 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.360 2.776 8.724 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.188 5.546 8.197 1.00 0.00 C ATOM 0 H ILE A 35 -5.410 3.578 4.959 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.555 1.685 6.875 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.714 3.834 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.958 3.769 8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.227 4.447 6.603 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.663 3.614 9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.206 2.102 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.543 2.239 9.206 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.340 6.216 8.339 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.921 6.021 7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.647 5.332 9.162 1.00 0.00 H new ATOM 237 N LEU A 36 -7.614 1.307 5.689 1.00 0.00 N ATOM 238 CA LEU A 36 -8.725 0.362 5.599 1.00 0.00 C ATOM 239 C LEU A 36 -8.234 -0.982 5.076 1.00 0.00 C ATOM 240 O LEU A 36 -8.667 -2.036 5.546 1.00 0.00 O ATOM 241 CB LEU A 36 -9.813 0.915 4.670 1.00 0.00 C ATOM 242 CG LEU A 36 -10.958 -0.102 4.518 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.539 -0.465 5.894 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.055 0.512 3.643 1.00 0.00 C ATOM 0 H LEU A 36 -7.723 2.146 5.120 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.144 0.222 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.201 1.851 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.386 1.140 3.693 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.573 -1.010 4.053 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.348 -1.185 5.769 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.757 -0.902 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.925 0.434 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.871 -0.201 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.430 1.421 4.114 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.645 0.754 2.662 1.00 0.00 H new ATOM 256 N HIS A 37 -7.334 -0.941 4.103 1.00 0.00 N ATOM 257 CA HIS A 37 -6.803 -2.167 3.531 1.00 0.00 C ATOM 258 C HIS A 37 -6.164 -3.014 4.622 1.00 0.00 C ATOM 259 O HIS A 37 -6.323 -4.234 4.646 1.00 0.00 O ATOM 260 CB HIS A 37 -5.753 -1.840 2.472 1.00 0.00 C ATOM 261 CG HIS A 37 -5.235 -3.122 1.885 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.398 -3.440 0.551 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.567 -4.184 2.441 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.845 -4.647 0.352 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.322 -5.145 1.472 1.00 0.00 N ATOM 0 H HIS A 37 -6.961 -0.082 3.698 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.622 -2.720 3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.188 -1.217 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.935 -1.271 2.915 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.276 -4.260 3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.826 -5.154 -0.602 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.845 -6.039 1.591 1.00 0.00 H new ATOM 273 N LEU A 38 -5.440 -2.362 5.526 1.00 0.00 N ATOM 274 CA LEU A 38 -4.777 -3.073 6.615 1.00 0.00 C ATOM 275 C LEU A 38 -5.795 -3.794 7.494 1.00 0.00 C ATOM 276 O LEU A 38 -5.538 -4.899 7.960 1.00 0.00 O ATOM 277 CB LEU A 38 -3.938 -2.094 7.463 1.00 0.00 C ATOM 278 CG LEU A 38 -2.517 -1.955 6.880 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.869 -0.663 7.385 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.649 -3.151 7.315 1.00 0.00 C ATOM 0 H LEU A 38 -5.298 -1.352 5.528 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.113 -3.819 6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.424 -1.118 7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.882 -2.450 8.492 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.589 -1.930 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.866 -0.572 6.969 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.470 0.191 7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.810 -0.687 8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.647 -3.044 6.899 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.588 -3.180 8.403 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.096 -4.076 6.952 1.00 0.00 H new ATOM 292 N ILE A 39 -6.937 -3.168 7.730 1.00 0.00 N ATOM 293 CA ILE A 39 -7.956 -3.785 8.570 1.00 0.00 C ATOM 294 C ILE A 39 -8.409 -5.118 7.975 1.00 0.00 C ATOM 295 O ILE A 39 -8.522 -6.120 8.680 1.00 0.00 O ATOM 296 CB ILE A 39 -9.159 -2.847 8.693 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.685 -1.453 9.128 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.148 -3.404 9.717 1.00 0.00 C ATOM 299 CD1 ILE A 39 -7.833 -1.538 10.401 1.00 0.00 C ATOM 0 H ILE A 39 -7.181 -2.249 7.360 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.529 -3.968 9.556 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.655 -2.770 7.726 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.105 -0.995 8.327 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.547 -0.810 9.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.002 -2.732 9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.490 -4.388 9.395 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.658 -3.490 10.687 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.509 -0.538 10.689 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.424 -1.974 11.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.959 -2.162 10.213 1.00 0.00 H new ATOM 311 N LEU A 40 -8.680 -5.133 6.677 1.00 0.00 N ATOM 312 CA LEU A 40 -9.116 -6.366 6.025 1.00 0.00 C ATOM 313 C LEU A 40 -7.954 -7.352 5.870 1.00 0.00 C ATOM 314 O LEU A 40 -8.113 -8.555 6.084 1.00 0.00 O ATOM 315 CB LEU A 40 -9.724 -6.039 4.657 1.00 0.00 C ATOM 316 CG LEU A 40 -11.165 -5.553 4.840 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.178 -4.325 5.753 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.754 -5.189 3.478 1.00 0.00 C ATOM 0 H LEU A 40 -8.608 -4.323 6.062 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.872 -6.839 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.131 -5.272 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.705 -6.922 4.019 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.763 -6.344 5.293 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.203 -3.979 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.758 -4.589 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.582 -3.531 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.780 -4.843 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.158 -4.398 3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.745 -6.067 2.832 1.00 0.00 H new ATOM 330 N TRP A 41 -6.790 -6.838 5.476 1.00 0.00 N ATOM 331 CA TRP A 41 -5.613 -7.681 5.270 1.00 0.00 C ATOM 332 C TRP A 41 -5.091 -8.268 6.582 1.00 0.00 C ATOM 333 O TRP A 41 -4.770 -9.455 6.652 1.00 0.00 O ATOM 334 CB TRP A 41 -4.509 -6.868 4.584 1.00 0.00 C ATOM 335 CG TRP A 41 -3.261 -7.688 4.481 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.993 -8.586 3.503 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.091 -7.672 5.348 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.746 -9.137 3.733 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.150 -8.601 4.856 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.764 -6.947 6.506 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.073 -8.806 5.490 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.529 -7.149 7.143 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.385 -8.075 6.635 1.00 0.00 C ATOM 0 H TRP A 41 -6.637 -5.846 5.294 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.909 -8.515 4.634 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.836 -6.561 3.590 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.311 -5.958 5.150 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.646 -8.831 2.679 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.319 -9.852 3.144 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.466 -6.231 6.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.775 -9.527 5.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.284 -6.585 8.031 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.333 -8.225 7.129 1.00 0.00 H new ATOM 354 N ILE A 42 -4.996 -7.437 7.611 1.00 0.00 N ATOM 355 CA ILE A 42 -4.495 -7.897 8.902 1.00 0.00 C ATOM 356 C ILE A 42 -5.430 -8.956 9.484 1.00 0.00 C ATOM 357 O ILE A 42 -4.980 -9.933 10.081 1.00 0.00 O ATOM 358 CB ILE A 42 -4.368 -6.710 9.872 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.509 -7.114 11.079 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.755 -6.285 10.362 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.047 -7.337 10.660 1.00 0.00 C ATOM 0 H ILE A 42 -5.256 -6.451 7.580 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.510 -8.341 8.759 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.896 -5.878 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.559 -6.337 11.842 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.907 -8.025 11.525 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.656 -5.444 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.367 -5.988 9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.231 -7.120 10.877 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.458 -7.622 11.532 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.999 -8.131 9.914 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.645 -6.416 10.236 1.00 0.00 H new ATOM 373 N LEU A 43 -6.731 -8.754 9.299 1.00 0.00 N ATOM 374 CA LEU A 43 -7.719 -9.700 9.804 1.00 0.00 C ATOM 375 C LEU A 43 -7.530 -11.068 9.153 1.00 0.00 C ATOM 376 O LEU A 43 -7.638 -12.098 9.816 1.00 0.00 O ATOM 377 CB LEU A 43 -9.136 -9.177 9.523 1.00 0.00 C ATOM 378 CG LEU A 43 -9.524 -8.104 10.555 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.791 -7.381 10.083 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.783 -8.752 11.936 1.00 0.00 C ATOM 0 H LEU A 43 -7.123 -7.951 8.807 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.583 -9.805 10.880 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.184 -8.758 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.849 -10.001 9.559 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.705 -7.392 10.650 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.069 -6.620 10.812 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.602 -6.908 9.119 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.604 -8.100 9.982 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.056 -7.980 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.595 -9.474 11.853 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.880 -9.260 12.275 1.00 0.00 H new ATOM 633 N VAL B 28 -0.122 11.508 -7.270 1.00 0.00 N ATOM 634 CA VAL B 28 -1.285 11.109 -8.052 1.00 0.00 C ATOM 635 C VAL B 28 -1.119 9.682 -8.569 1.00 0.00 C ATOM 636 O VAL B 28 -2.047 8.876 -8.501 1.00 0.00 O ATOM 637 CB VAL B 28 -1.474 12.066 -9.229 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.635 11.587 -10.101 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.781 13.468 -8.699 1.00 0.00 C ATOM 0 HA VAL B 28 -2.165 11.148 -7.410 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.562 12.091 -9.825 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.767 12.271 -10.939 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.418 10.588 -10.479 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.549 11.560 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.916 14.152 -9.537 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.693 13.440 -8.103 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.953 13.812 -8.079 1.00 0.00 H new ATOM 649 N ALA B 29 0.067 9.378 -9.086 1.00 0.00 N ATOM 650 CA ALA B 29 0.338 8.046 -9.613 1.00 0.00 C ATOM 651 C ALA B 29 0.254 7.002 -8.505 1.00 0.00 C ATOM 652 O ALA B 29 -0.270 5.909 -8.709 1.00 0.00 O ATOM 653 CB ALA B 29 1.733 8.006 -10.243 1.00 0.00 C ATOM 0 H ALA B 29 0.849 10.029 -9.151 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.412 7.819 -10.371 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.927 7.007 -10.634 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.786 8.731 -11.056 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.480 8.252 -9.488 1.00 0.00 H new ATOM 659 N ALA B 30 0.773 7.348 -7.333 1.00 0.00 N ATOM 660 CA ALA B 30 0.750 6.424 -6.204 1.00 0.00 C ATOM 661 C ALA B 30 -0.688 6.106 -5.803 1.00 0.00 C ATOM 662 O ALA B 30 -1.012 4.963 -5.483 1.00 0.00 O ATOM 663 CB ALA B 30 1.491 7.034 -5.014 1.00 0.00 C ATOM 0 H ALA B 30 1.210 8.249 -7.140 1.00 0.00 H new ATOM 0 HA ALA B 30 1.245 5.500 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.469 6.338 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.526 7.233 -5.293 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.007 7.967 -4.724 1.00 0.00 H new ATOM 669 N ASN B 31 -1.543 7.123 -5.822 1.00 0.00 N ATOM 670 CA ASN B 31 -2.940 6.932 -5.459 1.00 0.00 C ATOM 671 C ASN B 31 -3.632 5.991 -6.439 1.00 0.00 C ATOM 672 O ASN B 31 -4.370 5.092 -6.036 1.00 0.00 O ATOM 673 CB ASN B 31 -3.663 8.280 -5.452 1.00 0.00 C ATOM 674 CG ASN B 31 -5.144 8.082 -5.143 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.604 6.949 -5.004 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.921 9.124 -5.032 1.00 0.00 N ATOM 0 H ASN B 31 -1.296 8.078 -6.082 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.977 6.489 -4.464 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.214 8.938 -4.708 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.548 8.768 -6.420 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.913 9.001 -4.829 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.536 10.062 -5.148 1.00 0.00 H new ATOM 683 N ILE B 32 -3.390 6.200 -7.729 1.00 0.00 N ATOM 684 CA ILE B 32 -4.001 5.362 -8.754 1.00 0.00 C ATOM 685 C ILE B 32 -3.496 3.925 -8.641 1.00 0.00 C ATOM 686 O ILE B 32 -4.275 2.974 -8.725 1.00 0.00 O ATOM 687 CB ILE B 32 -3.676 5.921 -10.144 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.384 7.265 -10.325 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.159 4.947 -11.222 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.835 7.966 -11.569 1.00 0.00 C ATOM 0 H ILE B 32 -2.781 6.936 -8.087 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.081 5.364 -8.608 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.598 6.054 -10.236 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.459 7.112 -10.425 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.232 7.890 -9.445 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -3.925 5.350 -12.207 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.660 3.987 -11.095 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.237 4.810 -11.132 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.339 8.924 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.764 8.132 -11.450 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.010 7.342 -12.445 1.00 0.00 H new ATOM 702 N ILE B 33 -2.188 3.777 -8.456 1.00 0.00 N ATOM 703 CA ILE B 33 -1.587 2.453 -8.338 1.00 0.00 C ATOM 704 C ILE B 33 -2.099 1.740 -7.088 1.00 0.00 C ATOM 705 O ILE B 33 -2.421 0.552 -7.130 1.00 0.00 O ATOM 706 CB ILE B 33 -0.061 2.582 -8.276 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.458 3.083 -9.625 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.561 1.216 -7.972 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.924 3.500 -9.487 1.00 0.00 C ATOM 0 H ILE B 33 -1.528 4.551 -8.385 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.866 1.864 -9.211 1.00 0.00 H new ATOM 0 HB ILE B 33 0.211 3.286 -7.490 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.361 2.300 -10.377 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.141 3.928 -9.966 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.646 1.312 -7.929 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.190 0.853 -7.014 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.290 0.510 -8.757 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.293 3.857 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE B 33 2.008 4.297 -8.748 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.517 2.644 -9.166 1.00 0.00 H new ATOM 721 N GLY B 34 -2.163 2.467 -5.978 1.00 0.00 N ATOM 722 CA GLY B 34 -2.630 1.884 -4.724 1.00 0.00 C ATOM 723 C GLY B 34 -4.069 1.396 -4.850 1.00 0.00 C ATOM 724 O GLY B 34 -4.399 0.285 -4.429 1.00 0.00 O ATOM 0 H GLY B 34 -1.901 3.451 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -1.984 1.053 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.562 2.625 -3.927 1.00 0.00 H new ATOM 728 N ILE B 35 -4.923 2.225 -5.440 1.00 0.00 N ATOM 729 CA ILE B 35 -6.321 1.860 -5.619 1.00 0.00 C ATOM 730 C ILE B 35 -6.437 0.646 -6.538 1.00 0.00 C ATOM 731 O ILE B 35 -7.204 -0.277 -6.263 1.00 0.00 O ATOM 732 CB ILE B 35 -7.100 3.038 -6.213 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.182 4.165 -5.179 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.518 2.587 -6.583 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.701 5.437 -5.850 1.00 0.00 C ATOM 0 H ILE B 35 -4.674 3.146 -5.799 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.743 1.608 -4.646 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.589 3.394 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -7.844 3.876 -4.362 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.199 4.346 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.069 3.428 -7.005 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.464 1.783 -7.317 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.031 2.229 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.759 6.239 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.022 5.729 -6.651 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.692 5.252 -6.264 1.00 0.00 H new ATOM 747 N LEU B 36 -5.668 0.653 -7.623 1.00 0.00 N ATOM 748 CA LEU B 36 -5.695 -0.452 -8.576 1.00 0.00 C ATOM 749 C LEU B 36 -5.293 -1.753 -7.893 1.00 0.00 C ATOM 750 O LEU B 36 -5.874 -2.809 -8.151 1.00 0.00 O ATOM 751 CB LEU B 36 -4.742 -0.166 -9.744 1.00 0.00 C ATOM 752 CG LEU B 36 -4.715 -1.355 -10.719 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.133 -1.665 -11.226 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.812 -1.003 -11.905 1.00 0.00 C ATOM 0 H LEU B 36 -5.023 1.406 -7.863 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.711 -0.553 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.060 0.735 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.738 0.024 -9.364 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.330 -2.235 -10.203 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.097 -2.509 -11.915 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.775 -1.914 -10.381 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.534 -0.792 -11.742 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.786 -1.840 -12.603 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.203 -0.120 -12.411 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.803 -0.798 -11.546 1.00 0.00 H new ATOM 766 N HIS B 37 -4.301 -1.671 -7.017 1.00 0.00 N ATOM 767 CA HIS B 37 -3.837 -2.853 -6.308 1.00 0.00 C ATOM 768 C HIS B 37 -4.989 -3.480 -5.537 1.00 0.00 C ATOM 769 O HIS B 37 -5.134 -4.703 -5.507 1.00 0.00 O ATOM 770 CB HIS B 37 -2.726 -2.477 -5.331 1.00 0.00 C ATOM 771 CG HIS B 37 -2.253 -3.715 -4.625 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.960 -4.182 -4.746 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.894 -4.605 -3.801 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.863 -5.304 -4.016 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.012 -5.606 -3.417 1.00 0.00 N ATOM 0 H HIS B 37 -3.808 -0.809 -6.783 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.452 -3.567 -7.036 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.899 -2.009 -5.864 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.092 -1.748 -4.608 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.928 -4.537 -3.497 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.039 -5.891 -3.926 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.203 -6.401 -2.807 1.00 0.00 H new ATOM 783 N LEU B 38 -5.810 -2.641 -4.914 1.00 0.00 N ATOM 784 CA LEU B 38 -6.947 -3.134 -4.141 1.00 0.00 C ATOM 785 C LEU B 38 -7.913 -3.910 -5.031 1.00 0.00 C ATOM 786 O LEU B 38 -8.477 -4.914 -4.605 1.00 0.00 O ATOM 787 CB LEU B 38 -7.680 -1.962 -3.456 1.00 0.00 C ATOM 788 CG LEU B 38 -7.055 -1.666 -2.077 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.419 -0.248 -1.628 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.581 -2.670 -1.034 1.00 0.00 C ATOM 0 H LEU B 38 -5.712 -1.626 -4.928 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.568 -3.809 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.625 -1.074 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.736 -2.205 -3.339 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.972 -1.757 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.973 -0.049 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.041 0.472 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.503 -0.156 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.135 -2.454 -0.063 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.665 -2.585 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.316 -3.683 -1.338 1.00 0.00 H new ATOM 802 N ILE B 39 -8.113 -3.445 -6.254 1.00 0.00 N ATOM 803 CA ILE B 39 -9.033 -4.122 -7.159 1.00 0.00 C ATOM 804 C ILE B 39 -8.577 -5.562 -7.408 1.00 0.00 C ATOM 805 O ILE B 39 -9.377 -6.494 -7.362 1.00 0.00 O ATOM 806 CB ILE B 39 -9.088 -3.370 -8.491 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.378 -1.885 -8.233 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.184 -3.967 -9.378 1.00 0.00 C ATOM 809 CD1 ILE B 39 -10.631 -1.714 -7.369 1.00 0.00 C ATOM 0 H ILE B 39 -7.660 -2.616 -6.640 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.023 -4.139 -6.703 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.128 -3.465 -8.998 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -8.524 -1.425 -7.737 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.513 -1.367 -9.182 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.219 -3.428 -10.325 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.967 -5.018 -9.566 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.147 -3.880 -8.875 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.815 -0.653 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -11.488 -2.154 -7.879 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.483 -2.213 -6.411 1.00 0.00 H new ATOM 821 N LEU B 40 -7.293 -5.746 -7.682 1.00 0.00 N ATOM 822 CA LEU B 40 -6.773 -7.090 -7.931 1.00 0.00 C ATOM 823 C LEU B 40 -6.686 -7.899 -6.631 1.00 0.00 C ATOM 824 O LEU B 40 -7.019 -9.085 -6.605 1.00 0.00 O ATOM 825 CB LEU B 40 -5.393 -6.995 -8.591 1.00 0.00 C ATOM 826 CG LEU B 40 -5.561 -6.717 -10.086 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.349 -5.418 -10.280 1.00 0.00 C ATOM 828 CD2 LEU B 40 -4.184 -6.585 -10.734 1.00 0.00 C ATOM 0 H LEU B 40 -6.601 -4.999 -7.738 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.459 -7.607 -8.601 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.809 -6.201 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.842 -7.924 -8.443 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.104 -7.540 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.468 -5.220 -11.345 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.331 -5.515 -9.817 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.809 -4.592 -9.816 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.301 -6.387 -11.799 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.641 -5.762 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.627 -7.512 -10.596 1.00 0.00 H new ATOM 840 N TRP B 41 -6.219 -7.254 -5.564 1.00 0.00 N ATOM 841 CA TRP B 41 -6.067 -7.924 -4.273 1.00 0.00 C ATOM 842 C TRP B 41 -7.418 -8.294 -3.658 1.00 0.00 C ATOM 843 O TRP B 41 -7.595 -9.406 -3.159 1.00 0.00 O ATOM 844 CB TRP B 41 -5.282 -7.023 -3.313 1.00 0.00 C ATOM 845 CG TRP B 41 -5.229 -7.650 -1.955 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.335 -8.585 -1.559 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.065 -7.369 -0.797 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.588 -8.915 -0.240 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.641 -8.189 0.274 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.142 -6.496 -0.573 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.264 -8.143 1.517 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.766 -6.445 0.684 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.327 -7.268 1.724 1.00 0.00 C ATOM 0 H TRP B 41 -5.940 -6.273 -5.567 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.519 -8.851 -4.441 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.272 -6.867 -3.691 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.754 -6.043 -3.252 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.552 -9.005 -2.173 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.060 -9.610 0.288 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.492 -5.860 -1.372 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.925 -8.783 2.318 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.590 -5.766 0.848 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.812 -7.226 2.688 1.00 0.00 H new ATOM 864 N ILE B 42 -8.359 -7.362 -3.683 1.00 0.00 N ATOM 865 CA ILE B 42 -9.677 -7.611 -3.107 1.00 0.00 C ATOM 866 C ILE B 42 -10.378 -8.738 -3.865 1.00 0.00 C ATOM 867 O ILE B 42 -11.057 -9.571 -3.265 1.00 0.00 O ATOM 868 CB ILE B 42 -10.524 -6.330 -3.155 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.746 -6.477 -2.235 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.004 -6.073 -4.587 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.318 -6.515 -0.760 1.00 0.00 C ATOM 0 H ILE B 42 -8.239 -6.435 -4.091 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.556 -7.912 -2.066 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.912 -5.493 -2.820 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.431 -5.645 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -12.287 -7.390 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.604 -5.163 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.142 -5.958 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.608 -6.915 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.200 -6.619 -0.128 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.652 -7.362 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.798 -5.591 -0.508 1.00 0.00 H new ATOM 883 N LEU B 43 -10.204 -8.755 -5.182 1.00 0.00 N ATOM 884 CA LEU B 43 -10.821 -9.786 -6.011 1.00 0.00 C ATOM 885 C LEU B 43 -10.301 -11.166 -5.618 1.00 0.00 C ATOM 886 O LEU B 43 -11.064 -12.132 -5.560 1.00 0.00 O ATOM 887 CB LEU B 43 -10.522 -9.514 -7.493 1.00 0.00 C ATOM 888 CG LEU B 43 -11.456 -8.415 -8.032 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.945 -7.942 -9.397 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.897 -8.955 -8.177 1.00 0.00 C ATOM 0 H LEU B 43 -9.646 -8.073 -5.696 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.899 -9.763 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.483 -9.208 -7.611 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.653 -10.428 -8.072 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.465 -7.581 -7.330 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.604 -7.164 -9.782 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.936 -7.543 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.931 -8.782 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.545 -8.166 -8.559 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.902 -9.796 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.262 -9.284 -7.204 1.00 0.00 H new ATOM 1143 N VAL C 28 8.233 10.637 -1.971 1.00 0.00 N ATOM 1144 CA VAL C 28 8.963 9.985 -3.049 1.00 0.00 C ATOM 1145 C VAL C 28 9.348 8.562 -2.651 1.00 0.00 C ATOM 1146 O VAL C 28 9.197 7.624 -3.436 1.00 0.00 O ATOM 1147 CB VAL C 28 10.223 10.785 -3.384 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.035 10.044 -4.450 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.824 12.163 -3.915 1.00 0.00 C ATOM 0 HA VAL C 28 8.318 9.941 -3.927 1.00 0.00 H new ATOM 0 HB VAL C 28 10.828 10.901 -2.485 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.932 10.616 -4.687 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.320 9.062 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.432 9.926 -5.350 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.721 12.734 -4.154 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.218 12.045 -4.814 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.248 12.693 -3.156 1.00 0.00 H new ATOM 1159 N ALA C 29 9.847 8.409 -1.428 1.00 0.00 N ATOM 1160 CA ALA C 29 10.251 7.094 -0.939 1.00 0.00 C ATOM 1161 C ALA C 29 9.051 6.159 -0.858 1.00 0.00 C ATOM 1162 O ALA C 29 9.147 4.982 -1.195 1.00 0.00 O ATOM 1163 CB ALA C 29 10.889 7.225 0.446 1.00 0.00 C ATOM 0 H ALA C 29 9.981 9.171 -0.763 1.00 0.00 H new ATOM 0 HA ALA C 29 10.977 6.677 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.188 6.240 0.804 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.766 7.869 0.383 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.168 7.660 1.139 1.00 0.00 H new ATOM 1169 N ALA C 30 7.921 6.692 -0.410 1.00 0.00 N ATOM 1170 CA ALA C 30 6.712 5.887 -0.288 1.00 0.00 C ATOM 1171 C ALA C 30 6.270 5.377 -1.654 1.00 0.00 C ATOM 1172 O ALA C 30 5.841 4.231 -1.790 1.00 0.00 O ATOM 1173 CB ALA C 30 5.590 6.719 0.338 1.00 0.00 C ATOM 0 H ALA C 30 7.816 7.667 -0.128 1.00 0.00 H new ATOM 0 HA ALA C 30 6.929 5.033 0.353 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.690 6.110 0.425 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.897 7.057 1.328 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.383 7.583 -0.293 1.00 0.00 H new ATOM 1179 N ASN C 31 6.376 6.232 -2.664 1.00 0.00 N ATOM 1180 CA ASN C 31 5.983 5.852 -4.015 1.00 0.00 C ATOM 1181 C ASN C 31 6.866 4.723 -4.537 1.00 0.00 C ATOM 1182 O ASN C 31 6.375 3.758 -5.119 1.00 0.00 O ATOM 1183 CB ASN C 31 6.095 7.059 -4.947 1.00 0.00 C ATOM 1184 CG ASN C 31 5.756 6.650 -6.377 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.505 5.474 -6.646 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.736 7.556 -7.317 1.00 0.00 N ATOM 0 H ASN C 31 6.728 7.185 -2.575 1.00 0.00 H new ATOM 0 HA ASN C 31 4.950 5.505 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.419 7.848 -4.616 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.105 7.467 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.512 7.291 -8.276 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.944 8.529 -7.092 1.00 0.00 H new ATOM 1193 N ILE C 32 8.173 4.850 -4.326 1.00 0.00 N ATOM 1194 CA ILE C 32 9.111 3.831 -4.785 1.00 0.00 C ATOM 1195 C ILE C 32 8.871 2.514 -4.053 1.00 0.00 C ATOM 1196 O ILE C 32 8.857 1.445 -4.664 1.00 0.00 O ATOM 1197 CB ILE C 32 10.549 4.305 -4.550 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.847 5.493 -5.470 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.528 3.170 -4.861 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.155 6.157 -5.033 1.00 0.00 C ATOM 0 H ILE C 32 8.603 5.640 -3.845 1.00 0.00 H new ATOM 0 HA ILE C 32 8.955 3.668 -5.851 1.00 0.00 H new ATOM 0 HB ILE C 32 10.663 4.605 -3.508 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.925 5.156 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.029 6.213 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.549 3.513 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.319 2.321 -4.211 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.415 2.867 -5.902 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.370 7.003 -5.686 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.060 6.507 -4.005 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.969 5.434 -5.096 1.00 0.00 H new ATOM 1212 N ILE C 33 8.686 2.600 -2.740 1.00 0.00 N ATOM 1213 CA ILE C 33 8.452 1.413 -1.930 1.00 0.00 C ATOM 1214 C ILE C 33 7.136 0.741 -2.324 1.00 0.00 C ATOM 1215 O ILE C 33 7.066 -0.481 -2.446 1.00 0.00 O ATOM 1216 CB ILE C 33 8.414 1.796 -0.446 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.809 2.247 -0.004 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.986 0.589 0.391 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.719 2.910 1.372 1.00 0.00 C ATOM 0 H ILE C 33 8.694 3.476 -2.217 1.00 0.00 H new ATOM 0 HA ILE C 33 9.267 0.710 -2.103 1.00 0.00 H new ATOM 0 HB ILE C 33 7.700 2.607 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.484 1.392 0.036 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.224 2.946 -0.730 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.961 0.867 1.445 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.994 0.263 0.078 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.698 -0.224 0.247 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.712 3.231 1.687 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.058 3.775 1.316 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.322 2.197 2.094 1.00 0.00 H new ATOM 1231 N GLY C 34 6.096 1.547 -2.514 1.00 0.00 N ATOM 1232 CA GLY C 34 4.790 1.013 -2.885 1.00 0.00 C ATOM 1233 C GLY C 34 4.857 0.285 -4.223 1.00 0.00 C ATOM 1234 O GLY C 34 4.331 -0.821 -4.369 1.00 0.00 O ATOM 0 H GLY C 34 6.131 2.562 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.440 0.329 -2.112 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.065 1.825 -2.945 1.00 0.00 H new ATOM 1238 N ILE C 35 5.513 0.905 -5.198 1.00 0.00 N ATOM 1239 CA ILE C 35 5.645 0.301 -6.517 1.00 0.00 C ATOM 1240 C ILE C 35 6.445 -0.995 -6.427 1.00 0.00 C ATOM 1241 O ILE C 35 6.080 -2.002 -7.033 1.00 0.00 O ATOM 1242 CB ILE C 35 6.339 1.276 -7.473 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.414 2.464 -7.743 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.650 0.568 -8.797 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.194 3.569 -8.460 1.00 0.00 C ATOM 0 H ILE C 35 5.958 1.818 -5.101 1.00 0.00 H new ATOM 0 HA ILE C 35 4.650 0.075 -6.899 1.00 0.00 H new ATOM 0 HB ILE C 35 7.267 1.625 -7.021 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.568 2.148 -8.353 1.00 0.00 H new ATOM 0 HG13 ILE C 35 5.007 2.842 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.144 1.264 -9.475 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.306 -0.282 -8.610 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.722 0.218 -9.249 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.534 4.415 -8.652 1.00 0.00 H new ATOM 0 HD12 ILE C 35 7.025 3.892 -7.834 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.579 3.188 -9.406 1.00 0.00 H new ATOM 1257 N LEU C 36 7.534 -0.963 -5.663 1.00 0.00 N ATOM 1258 CA LEU C 36 8.382 -2.141 -5.504 1.00 0.00 C ATOM 1259 C LEU C 36 7.583 -3.288 -4.898 1.00 0.00 C ATOM 1260 O LEU C 36 7.741 -4.445 -5.296 1.00 0.00 O ATOM 1261 CB LEU C 36 9.579 -1.811 -4.605 1.00 0.00 C ATOM 1262 CG LEU C 36 10.443 -3.064 -4.379 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.904 -3.647 -5.724 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.665 -2.681 -3.539 1.00 0.00 C ATOM 0 H LEU C 36 7.848 -0.141 -5.148 1.00 0.00 H new ATOM 0 HA LEU C 36 8.746 -2.443 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.180 -1.025 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.228 -1.427 -3.648 1.00 0.00 H new ATOM 0 HG LEU C 36 9.853 -3.818 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.514 -4.533 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.033 -3.920 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.492 -2.903 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.284 -3.563 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.246 -1.924 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.336 -2.283 -2.579 1.00 0.00 H new ATOM 1276 N HIS C 37 6.729 -2.964 -3.938 1.00 0.00 N ATOM 1277 CA HIS C 37 5.918 -3.983 -3.292 1.00 0.00 C ATOM 1278 C HIS C 37 5.083 -4.720 -4.330 1.00 0.00 C ATOM 1279 O HIS C 37 4.940 -5.941 -4.271 1.00 0.00 O ATOM 1280 CB HIS C 37 4.987 -3.340 -2.267 1.00 0.00 C ATOM 1281 CG HIS C 37 4.176 -4.415 -1.600 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.264 -4.671 -0.246 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.268 -5.319 -2.091 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.436 -5.690 0.029 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.801 -6.123 -1.058 1.00 0.00 N ATOM 0 H HIS C 37 6.581 -2.016 -3.593 1.00 0.00 H new ATOM 0 HA HIS C 37 6.581 -4.688 -2.790 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.566 -2.790 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.329 -2.620 -2.755 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.962 -5.394 -3.124 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.301 -6.109 1.015 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.120 -6.880 -1.119 1.00 0.00 H new ATOM 1293 N LEU C 38 4.532 -3.972 -5.280 1.00 0.00 N ATOM 1294 CA LEU C 38 3.705 -4.571 -6.324 1.00 0.00 C ATOM 1295 C LEU C 38 4.511 -5.572 -7.148 1.00 0.00 C ATOM 1296 O LEU C 38 3.989 -6.610 -7.544 1.00 0.00 O ATOM 1297 CB LEU C 38 3.123 -3.475 -7.244 1.00 0.00 C ATOM 1298 CG LEU C 38 1.785 -2.952 -6.678 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.469 -1.577 -7.274 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.646 -3.924 -7.036 1.00 0.00 C ATOM 0 H LEU C 38 4.641 -2.960 -5.350 1.00 0.00 H new ATOM 0 HA LEU C 38 2.884 -5.102 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.833 -2.653 -7.335 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.969 -3.876 -8.246 1.00 0.00 H new ATOM 0 HG LEU C 38 1.872 -2.873 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.524 -1.214 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.265 -0.878 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.393 -1.659 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.294 -3.547 -6.633 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.568 -4.009 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.857 -4.905 -6.609 1.00 0.00 H new ATOM 1312 N ILE C 39 5.770 -5.261 -7.414 1.00 0.00 N ATOM 1313 CA ILE C 39 6.599 -6.159 -8.206 1.00 0.00 C ATOM 1314 C ILE C 39 6.720 -7.523 -7.520 1.00 0.00 C ATOM 1315 O ILE C 39 6.578 -8.563 -8.158 1.00 0.00 O ATOM 1316 CB ILE C 39 7.993 -5.554 -8.378 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.871 -4.116 -8.909 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.809 -6.400 -9.359 1.00 0.00 C ATOM 1319 CD1 ILE C 39 7.013 -4.076 -10.179 1.00 0.00 C ATOM 0 H ILE C 39 6.235 -4.409 -7.100 1.00 0.00 H new ATOM 0 HA ILE C 39 6.132 -6.294 -9.181 1.00 0.00 H new ATOM 0 HB ILE C 39 8.499 -5.540 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.428 -3.478 -8.145 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.863 -3.717 -9.122 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.801 -5.964 -9.478 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.902 -7.415 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.305 -6.424 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE C 39 6.940 -3.049 -10.537 1.00 0.00 H new ATOM 0 HD12 ILE C 39 7.473 -4.697 -10.948 1.00 0.00 H new ATOM 0 HD13 ILE C 39 6.015 -4.454 -9.956 1.00 0.00 H new ATOM 1331 N LEU C 40 6.988 -7.518 -6.223 1.00 0.00 N ATOM 1332 CA LEU C 40 7.118 -8.775 -5.488 1.00 0.00 C ATOM 1333 C LEU C 40 5.752 -9.436 -5.276 1.00 0.00 C ATOM 1334 O LEU C 40 5.612 -10.651 -5.410 1.00 0.00 O ATOM 1335 CB LEU C 40 7.799 -8.517 -4.138 1.00 0.00 C ATOM 1336 CG LEU C 40 9.313 -8.409 -4.344 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.617 -7.281 -5.335 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.985 -8.112 -3.005 1.00 0.00 C ATOM 0 H LEU C 40 7.118 -6.676 -5.662 1.00 0.00 H new ATOM 0 HA LEU C 40 7.731 -9.457 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.415 -7.599 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.572 -9.326 -3.443 1.00 0.00 H new ATOM 0 HG LEU C 40 9.695 -9.349 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.695 -7.205 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.136 -7.496 -6.289 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.237 -6.338 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.063 -8.035 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.603 -7.172 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.769 -8.917 -2.303 1.00 0.00 H new ATOM 1350 N TRP C 41 4.753 -8.628 -4.926 1.00 0.00 N ATOM 1351 CA TRP C 41 3.407 -9.143 -4.673 1.00 0.00 C ATOM 1352 C TRP C 41 2.748 -9.670 -5.949 1.00 0.00 C ATOM 1353 O TRP C 41 2.146 -10.746 -5.943 1.00 0.00 O ATOM 1354 CB TRP C 41 2.542 -8.042 -4.050 1.00 0.00 C ATOM 1355 CG TRP C 41 1.132 -8.523 -3.904 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.662 -9.261 -2.871 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.007 -8.278 -4.779 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.684 -9.505 -3.074 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.140 -8.915 -4.233 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.159 -7.573 -5.985 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.381 -8.855 -4.862 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.411 -7.507 -6.615 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.517 -8.148 -6.054 1.00 0.00 C ATOM 0 H TRP C 41 4.848 -7.619 -4.811 1.00 0.00 H new ATOM 0 HA TRP C 41 3.494 -9.980 -3.980 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.942 -7.761 -3.076 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.568 -7.150 -4.675 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.243 -9.603 -2.027 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.268 -10.054 -2.443 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.693 -7.079 -6.429 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.234 -9.355 -4.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.520 -6.958 -7.538 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.478 -8.096 -6.544 1.00 0.00 H new ATOM 1374 N ILE C 42 2.848 -8.910 -7.030 1.00 0.00 N ATOM 1375 CA ILE C 42 2.238 -9.317 -8.293 1.00 0.00 C ATOM 1376 C ILE C 42 2.881 -10.608 -8.796 1.00 0.00 C ATOM 1377 O ILE C 42 2.202 -11.483 -9.332 1.00 0.00 O ATOM 1378 CB ILE C 42 2.394 -8.202 -9.338 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.454 -8.461 -10.524 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.839 -8.159 -9.847 1.00 0.00 C ATOM 1381 CD1 ILE C 42 -0.015 -8.294 -10.102 1.00 0.00 C ATOM 0 H ILE C 42 3.340 -8.017 -7.062 1.00 0.00 H new ATOM 0 HA ILE C 42 1.176 -9.497 -8.129 1.00 0.00 H new ATOM 0 HB ILE C 42 2.142 -7.250 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.685 -7.770 -11.335 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.615 -9.468 -10.908 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.940 -7.366 -10.588 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.513 -7.965 -9.013 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.093 -9.116 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.663 -8.482 -10.958 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.248 -9.003 -9.308 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.177 -7.278 -9.741 1.00 0.00 H new ATOM 1393 N LEU C 43 4.194 -10.717 -8.617 1.00 0.00 N ATOM 1394 CA LEU C 43 4.919 -11.906 -9.054 1.00 0.00 C ATOM 1395 C LEU C 43 4.408 -13.142 -8.314 1.00 0.00 C ATOM 1396 O LEU C 43 4.256 -14.209 -8.908 1.00 0.00 O ATOM 1397 CB LEU C 43 6.423 -11.727 -8.792 1.00 0.00 C ATOM 1398 CG LEU C 43 7.050 -10.848 -9.892 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.459 -10.426 -9.457 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.132 -11.628 -11.224 1.00 0.00 C ATOM 0 H LEU C 43 4.774 -10.003 -8.176 1.00 0.00 H new ATOM 0 HA LEU C 43 4.754 -12.043 -10.123 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.578 -11.268 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.914 -12.700 -8.768 1.00 0.00 H new ATOM 0 HG LEU C 43 6.427 -9.966 -10.041 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.908 -9.804 -10.231 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.399 -9.861 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.073 -11.313 -9.303 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.577 -10.993 -11.990 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.747 -12.518 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.130 -11.924 -11.535 1.00 0.00 H new ATOM 1653 N VAL D 28 2.812 11.613 6.557 1.00 0.00 N ATOM 1654 CA VAL D 28 3.853 10.997 7.369 1.00 0.00 C ATOM 1655 C VAL D 28 3.356 9.690 7.977 1.00 0.00 C ATOM 1656 O VAL D 28 4.062 8.683 7.968 1.00 0.00 O ATOM 1657 CB VAL D 28 4.275 11.956 8.484 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.297 11.269 9.391 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.901 13.209 7.866 1.00 0.00 C ATOM 0 HA VAL D 28 4.710 10.781 6.730 1.00 0.00 H new ATOM 0 HB VAL D 28 3.401 12.237 9.072 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.597 11.953 10.185 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.852 10.376 9.830 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.172 10.987 8.805 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.202 13.894 8.659 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.775 12.927 7.278 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.172 13.699 7.221 1.00 0.00 H new ATOM 1669 N ALA D 29 2.136 9.712 8.506 1.00 0.00 N ATOM 1670 CA ALA D 29 1.559 8.522 9.118 1.00 0.00 C ATOM 1671 C ALA D 29 1.379 7.421 8.080 1.00 0.00 C ATOM 1672 O ALA D 29 1.628 6.248 8.357 1.00 0.00 O ATOM 1673 CB ALA D 29 0.204 8.859 9.743 1.00 0.00 C ATOM 0 H ALA D 29 1.533 10.534 8.523 1.00 0.00 H new ATOM 0 HA ALA D 29 2.240 8.170 9.893 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.220 7.964 10.198 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.336 9.626 10.506 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.471 9.228 8.971 1.00 0.00 H new ATOM 1679 N ALA D 30 0.944 7.803 6.886 1.00 0.00 N ATOM 1680 CA ALA D 30 0.734 6.831 5.819 1.00 0.00 C ATOM 1681 C ALA D 30 2.047 6.151 5.450 1.00 0.00 C ATOM 1682 O ALA D 30 2.085 4.944 5.207 1.00 0.00 O ATOM 1683 CB ALA D 30 0.152 7.525 4.584 1.00 0.00 C ATOM 0 H ALA D 30 0.731 8.768 6.633 1.00 0.00 H new ATOM 0 HA ALA D 30 0.033 6.076 6.174 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.001 6.791 3.793 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.802 7.986 4.841 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.844 8.293 4.238 1.00 0.00 H new ATOM 1689 N ASN D 31 3.123 6.930 5.409 1.00 0.00 N ATOM 1690 CA ASN D 31 4.431 6.385 5.068 1.00 0.00 C ATOM 1691 C ASN D 31 4.884 5.370 6.113 1.00 0.00 C ATOM 1692 O ASN D 31 5.380 4.297 5.773 1.00 0.00 O ATOM 1693 CB ASN D 31 5.456 7.517 4.981 1.00 0.00 C ATOM 1694 CG ASN D 31 6.841 6.947 4.694 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.012 5.731 4.626 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.848 7.759 4.524 1.00 0.00 N ATOM 0 H ASN D 31 3.116 7.931 5.606 1.00 0.00 H new ATOM 0 HA ASN D 31 4.353 5.883 4.104 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.172 8.216 4.195 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.471 8.077 5.916 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.778 7.385 4.334 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.705 8.767 4.581 1.00 0.00 H new ATOM 1703 N ILE D 32 4.713 5.716 7.386 1.00 0.00 N ATOM 1704 CA ILE D 32 5.114 4.823 8.468 1.00 0.00 C ATOM 1705 C ILE D 32 4.278 3.546 8.445 1.00 0.00 C ATOM 1706 O ILE D 32 4.804 2.444 8.595 1.00 0.00 O ATOM 1707 CB ILE D 32 4.947 5.532 9.815 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.959 6.676 9.915 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.193 4.542 10.958 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.603 7.568 11.103 1.00 0.00 C ATOM 0 H ILE D 32 4.304 6.599 7.691 1.00 0.00 H new ATOM 0 HA ILE D 32 6.161 4.555 8.330 1.00 0.00 H new ATOM 0 HB ILE D 32 3.933 5.926 9.889 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.966 6.276 10.036 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.956 7.260 8.994 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.073 5.052 11.914 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.476 3.724 10.891 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.205 4.145 10.884 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.323 8.383 11.175 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.603 7.979 10.963 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.628 6.980 12.020 1.00 0.00 H new ATOM 1722 N ILE D 33 2.971 3.706 8.263 1.00 0.00 N ATOM 1723 CA ILE D 33 2.067 2.562 8.226 1.00 0.00 C ATOM 1724 C ILE D 33 2.378 1.667 7.030 1.00 0.00 C ATOM 1725 O ILE D 33 2.404 0.442 7.150 1.00 0.00 O ATOM 1726 CB ILE D 33 0.618 3.052 8.145 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.245 3.749 9.456 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.319 1.860 7.925 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -1.081 4.493 9.283 1.00 0.00 C ATOM 0 H ILE D 33 2.516 4.611 8.140 1.00 0.00 H new ATOM 0 HA ILE D 33 2.204 1.980 9.138 1.00 0.00 H new ATOM 0 HB ILE D 33 0.519 3.750 7.314 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.160 3.016 10.258 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.030 4.447 9.744 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.349 2.212 7.868 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.056 1.357 6.995 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.220 1.161 8.756 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.345 4.988 10.217 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.980 5.238 8.493 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.864 3.784 9.015 1.00 0.00 H new ATOM 1741 N GLY D 34 2.607 2.284 5.873 1.00 0.00 N ATOM 1742 CA GLY D 34 2.905 1.525 4.664 1.00 0.00 C ATOM 1743 C GLY D 34 4.185 0.713 4.829 1.00 0.00 C ATOM 1744 O GLY D 34 4.233 -0.468 4.484 1.00 0.00 O ATOM 0 H GLY D 34 2.592 3.296 5.749 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.074 0.858 4.435 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.009 2.206 3.819 1.00 0.00 H new ATOM 1748 N ILE D 35 5.219 1.351 5.368 1.00 0.00 N ATOM 1749 CA ILE D 35 6.490 0.670 5.580 1.00 0.00 C ATOM 1750 C ILE D 35 6.320 -0.473 6.575 1.00 0.00 C ATOM 1751 O ILE D 35 6.839 -1.569 6.367 1.00 0.00 O ATOM 1752 CB ILE D 35 7.537 1.663 6.100 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.875 2.668 4.995 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.807 0.910 6.507 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.690 3.820 5.587 1.00 0.00 C ATOM 0 H ILE D 35 5.203 2.327 5.663 1.00 0.00 H new ATOM 0 HA ILE D 35 6.828 0.259 4.629 1.00 0.00 H new ATOM 0 HB ILE D 35 7.137 2.189 6.966 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.441 2.177 4.203 1.00 0.00 H new ATOM 0 HG13 ILE D 35 6.960 3.050 4.543 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.548 1.619 6.876 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.569 0.193 7.292 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.209 0.381 5.643 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.931 4.536 4.802 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.108 4.316 6.364 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.612 3.430 6.018 1.00 0.00 H new ATOM 1767 N LEU D 36 5.585 -0.211 7.654 1.00 0.00 N ATOM 1768 CA LEU D 36 5.355 -1.226 8.678 1.00 0.00 C ATOM 1769 C LEU D 36 4.646 -2.432 8.078 1.00 0.00 C ATOM 1770 O LEU D 36 4.954 -3.578 8.411 1.00 0.00 O ATOM 1771 CB LEU D 36 4.510 -0.643 9.817 1.00 0.00 C ATOM 1772 CG LEU D 36 4.209 -1.724 10.871 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.516 -2.332 11.405 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.430 -1.089 12.026 1.00 0.00 C ATOM 0 H LEU D 36 5.142 0.689 7.841 1.00 0.00 H new ATOM 0 HA LEU D 36 6.320 -1.544 9.074 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.039 0.189 10.281 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.577 -0.245 9.419 1.00 0.00 H new ATOM 0 HG LEU D 36 3.619 -2.517 10.412 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.285 -3.094 12.149 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.070 -2.784 10.582 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.121 -1.549 11.863 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.212 -1.847 12.778 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.027 -0.295 12.474 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.496 -0.673 11.649 1.00 0.00 H new ATOM 1786 N HIS D 37 3.692 -2.171 7.193 1.00 0.00 N ATOM 1787 CA HIS D 37 2.951 -3.251 6.559 1.00 0.00 C ATOM 1788 C HIS D 37 3.911 -4.187 5.841 1.00 0.00 C ATOM 1789 O HIS D 37 3.758 -5.408 5.893 1.00 0.00 O ATOM 1790 CB HIS D 37 1.956 -2.683 5.553 1.00 0.00 C ATOM 1791 CG HIS D 37 1.192 -3.814 4.925 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.175 -3.942 5.066 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.592 -4.885 4.167 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.546 -5.054 4.409 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.491 -5.665 3.842 1.00 0.00 N ATOM 0 H HIS D 37 3.417 -1.233 6.902 1.00 0.00 H new ATOM 0 HA HIS D 37 2.412 -3.803 7.329 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.271 -1.996 6.049 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.480 -2.112 4.787 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.609 -5.090 3.868 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.564 -5.409 4.348 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.479 -6.521 3.288 1.00 0.00 H new ATOM 1803 N LEU D 38 4.904 -3.612 5.169 1.00 0.00 N ATOM 1804 CA LEU D 38 5.881 -4.413 4.438 1.00 0.00 C ATOM 1805 C LEU D 38 6.641 -5.340 5.383 1.00 0.00 C ATOM 1806 O LEU D 38 6.943 -6.475 5.026 1.00 0.00 O ATOM 1807 CB LEU D 38 6.867 -3.499 3.681 1.00 0.00 C ATOM 1808 CG LEU D 38 6.318 -3.157 2.281 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.011 -1.903 1.740 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.576 -4.328 1.313 1.00 0.00 C ATOM 0 H LEU D 38 5.053 -2.604 5.115 1.00 0.00 H new ATOM 0 HA LEU D 38 5.344 -5.026 3.715 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.031 -2.583 4.248 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.834 -3.994 3.588 1.00 0.00 H new ATOM 0 HG LEU D 38 5.246 -2.978 2.362 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.618 -1.668 0.751 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.825 -1.066 2.413 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.084 -2.081 1.671 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.185 -4.078 0.327 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.648 -4.512 1.242 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.078 -5.224 1.684 1.00 0.00 H new ATOM 1822 N ILE D 39 6.958 -4.857 6.573 1.00 0.00 N ATOM 1823 CA ILE D 39 7.698 -5.677 7.527 1.00 0.00 C ATOM 1824 C ILE D 39 6.912 -6.946 7.866 1.00 0.00 C ATOM 1825 O ILE D 39 7.463 -8.042 7.885 1.00 0.00 O ATOM 1826 CB ILE D 39 7.947 -4.877 8.806 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.582 -3.523 8.453 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.874 -5.662 9.736 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.835 -3.718 7.590 1.00 0.00 C ATOM 0 H ILE D 39 6.722 -3.920 6.900 1.00 0.00 H new ATOM 0 HA ILE D 39 8.650 -5.961 7.078 1.00 0.00 H new ATOM 0 HB ILE D 39 6.998 -4.705 9.314 1.00 0.00 H new ATOM 0 HG12 ILE D 39 7.860 -2.906 7.919 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.844 -2.990 9.367 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.048 -5.088 10.646 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.411 -6.615 9.992 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.824 -5.844 9.234 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.268 -2.746 7.352 1.00 0.00 H new ATOM 0 HD12 ILE D 39 10.564 -4.316 8.137 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.565 -4.231 6.667 1.00 0.00 H new ATOM 1841 N LEU D 40 5.623 -6.797 8.144 1.00 0.00 N ATOM 1842 CA LEU D 40 4.798 -7.954 8.475 1.00 0.00 C ATOM 1843 C LEU D 40 4.506 -8.803 7.233 1.00 0.00 C ATOM 1844 O LEU D 40 4.544 -10.033 7.286 1.00 0.00 O ATOM 1845 CB LEU D 40 3.487 -7.488 9.121 1.00 0.00 C ATOM 1846 CG LEU D 40 3.733 -7.160 10.597 1.00 0.00 C ATOM 1847 CD1 LEU D 40 4.814 -6.081 10.710 1.00 0.00 C ATOM 1848 CD2 LEU D 40 2.436 -6.657 11.226 1.00 0.00 C ATOM 0 H LEU D 40 5.132 -5.903 8.148 1.00 0.00 H new ATOM 0 HA LEU D 40 5.348 -8.576 9.181 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.105 -6.609 8.601 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.729 -8.266 9.032 1.00 0.00 H new ATOM 0 HG LEU D 40 4.066 -8.057 11.120 1.00 0.00 H new ATOM 0 HD11 LEU D 40 4.988 -5.849 11.761 1.00 0.00 H new ATOM 0 HD12 LEU D 40 5.739 -6.444 10.261 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.486 -5.181 10.189 1.00 0.00 H new ATOM 0 HD21 LEU D 40 2.608 -6.423 12.277 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.102 -5.760 10.704 1.00 0.00 H new ATOM 0 HD23 LEU D 40 1.670 -7.429 11.147 1.00 0.00 H new ATOM 1860 N TRP D 41 4.196 -8.136 6.123 1.00 0.00 N ATOM 1861 CA TRP D 41 3.877 -8.834 4.876 1.00 0.00 C ATOM 1862 C TRP D 41 5.092 -9.557 4.296 1.00 0.00 C ATOM 1863 O TRP D 41 4.991 -10.709 3.872 1.00 0.00 O ATOM 1864 CB TRP D 41 3.323 -7.834 3.853 1.00 0.00 C ATOM 1865 CG TRP D 41 3.107 -8.517 2.539 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.010 -9.234 2.199 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.976 -8.525 1.369 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.163 -9.702 0.907 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.356 -9.286 0.353 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.230 -7.954 1.095 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.960 -9.472 -0.886 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.836 -8.137 -0.158 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.201 -8.896 -1.144 1.00 0.00 C ATOM 0 H TRP D 41 4.159 -7.119 6.060 1.00 0.00 H new ATOM 0 HA TRP D 41 3.125 -9.590 5.101 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.384 -7.414 4.213 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.017 -7.003 3.731 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.154 -9.412 2.834 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.478 -10.283 0.423 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.731 -7.370 1.853 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.468 -10.061 -1.646 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.798 -7.689 -0.361 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.672 -9.036 -2.106 1.00 0.00 H new ATOM 1884 N ILE D 42 6.230 -8.878 4.264 1.00 0.00 N ATOM 1885 CA ILE D 42 7.445 -9.475 3.715 1.00 0.00 C ATOM 1886 C ILE D 42 7.861 -10.684 4.549 1.00 0.00 C ATOM 1887 O ILE D 42 8.313 -11.695 4.010 1.00 0.00 O ATOM 1888 CB ILE D 42 8.577 -8.435 3.684 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.717 -8.932 2.782 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.120 -8.208 5.097 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.277 -8.958 1.310 1.00 0.00 C ATOM 0 H ILE D 42 6.340 -7.924 4.607 1.00 0.00 H new ATOM 0 HA ILE D 42 7.245 -9.806 2.696 1.00 0.00 H new ATOM 0 HB ILE D 42 8.180 -7.498 3.292 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.585 -8.283 2.895 1.00 0.00 H new ATOM 0 HG13 ILE D 42 10.023 -9.931 3.092 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.921 -7.470 5.065 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.319 -7.846 5.741 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.507 -9.147 5.493 1.00 0.00 H new ATOM 0 HD11 ILE D 42 10.100 -9.313 0.690 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.423 -9.626 1.197 1.00 0.00 H new ATOM 0 HD13 ILE D 42 8.995 -7.953 0.997 1.00 0.00 H new ATOM 1903 N LEU D 43 7.702 -10.573 5.865 1.00 0.00 N ATOM 1904 CA LEU D 43 8.061 -11.666 6.761 1.00 0.00 C ATOM 1905 C LEU D 43 7.220 -12.903 6.458 1.00 0.00 C ATOM 1906 O LEU D 43 7.728 -14.025 6.466 1.00 0.00 O ATOM 1907 CB LEU D 43 7.851 -11.233 8.221 1.00 0.00 C ATOM 1908 CG LEU D 43 9.026 -10.357 8.691 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.658 -9.687 10.019 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.298 -11.217 8.880 1.00 0.00 C ATOM 0 H LEU D 43 7.330 -9.745 6.331 1.00 0.00 H new ATOM 0 HA LEU D 43 9.111 -11.914 6.607 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.916 -10.680 8.313 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.765 -12.112 8.860 1.00 0.00 H new ATOM 0 HG LEU D 43 9.226 -9.597 7.936 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.488 -9.066 10.355 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.773 -9.066 9.880 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.451 -10.452 10.767 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.120 -10.583 9.212 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.109 -11.987 9.628 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.563 -11.688 7.933 1.00 0.00 H new