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= -3.23! C(o=-3.2!,f=-8.5!) USER MOD Single : A 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -2.82! C(o=-2.8!,f=-8.4!) USER MOD Single : B 37 HIS : no HD1:sc= -9.85! C(o=-9.9!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -3.67! C(o=-3.7!,f=-8.7!) USER MOD Single : C 37 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -2.8! C(o=-2.8!,f=-8.2!) USER MOD Single : D 37 HIS : no HD1:sc= -9.76! C(o=-9.8!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.470 12.511 1.317 1.00 0.00 N ATOM 124 CA VAL A 28 -6.138 12.008 2.512 1.00 0.00 C ATOM 125 C VAL A 28 -6.832 10.684 2.219 1.00 0.00 C ATOM 126 O VAL A 28 -6.796 9.756 3.027 1.00 0.00 O ATOM 127 CB VAL A 28 -7.165 13.026 3.013 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.443 14.295 3.474 1.00 0.00 C ATOM 129 CG2 VAL A 28 -8.132 13.380 1.886 1.00 0.00 C ATOM 0 HA VAL A 28 -5.384 11.849 3.283 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.720 12.595 3.846 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.174 15.020 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.753 14.048 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.887 14.721 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.862 14.105 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.577 13.808 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.649 12.480 1.554 1.00 0.00 H new ATOM 139 N ALA A 29 -7.464 10.608 1.054 1.00 0.00 N ATOM 140 CA ALA A 29 -8.170 9.396 0.654 1.00 0.00 C ATOM 141 C ALA A 29 -7.203 8.222 0.560 1.00 0.00 C ATOM 142 O ALA A 29 -7.530 7.107 0.958 1.00 0.00 O ATOM 143 CB ALA A 29 -8.848 9.607 -0.702 1.00 0.00 C ATOM 0 H ALA A 29 -7.503 11.366 0.373 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.926 9.174 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.372 8.697 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.561 10.429 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.094 9.846 -1.452 1.00 0.00 H new ATOM 149 N ALA A 30 -6.014 8.479 0.030 1.00 0.00 N ATOM 150 CA ALA A 30 -5.018 7.426 -0.112 1.00 0.00 C ATOM 151 C ALA A 30 -4.606 6.884 1.254 1.00 0.00 C ATOM 152 O ALA A 30 -4.457 5.676 1.430 1.00 0.00 O ATOM 153 CB ALA A 30 -3.787 7.966 -0.840 1.00 0.00 C ATOM 0 H ALA A 30 -5.718 9.396 -0.305 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.458 6.615 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.047 7.172 -0.942 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.076 8.322 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.359 8.790 -0.269 1.00 0.00 H new ATOM 159 N ASN A 31 -4.426 7.780 2.219 1.00 0.00 N ATOM 160 CA ASN A 31 -4.034 7.365 3.562 1.00 0.00 C ATOM 161 C ASN A 31 -5.136 6.523 4.201 1.00 0.00 C ATOM 162 O ASN A 31 -4.863 5.508 4.842 1.00 0.00 O ATOM 163 CB ASN A 31 -3.754 8.597 4.426 1.00 0.00 C ATOM 164 CG ASN A 31 -3.314 8.171 5.825 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.686 7.096 6.296 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.534 8.955 6.517 1.00 0.00 N ATOM 0 H ASN A 31 -4.543 8.786 2.100 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.129 6.762 3.492 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.978 9.206 3.963 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.649 9.216 4.491 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.231 8.678 7.451 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.227 9.845 6.124 1.00 0.00 H new ATOM 173 N ILE A 32 -6.380 6.950 4.016 1.00 0.00 N ATOM 174 CA ILE A 32 -7.521 6.230 4.571 1.00 0.00 C ATOM 175 C ILE A 32 -7.644 4.847 3.931 1.00 0.00 C ATOM 176 O ILE A 32 -7.902 3.857 4.613 1.00 0.00 O ATOM 177 CB ILE A 32 -8.808 7.029 4.335 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.764 8.310 5.171 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.023 6.193 4.754 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.894 9.245 4.734 1.00 0.00 C ATOM 0 H ILE A 32 -6.624 7.788 3.488 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.366 6.106 5.643 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.890 7.278 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.866 8.070 6.229 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.800 8.804 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.935 6.766 4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.055 5.277 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.944 5.941 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.862 10.157 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.772 9.495 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.854 8.749 4.880 1.00 0.00 H new ATOM 192 N ILE A 33 -7.465 4.797 2.615 1.00 0.00 N ATOM 193 CA ILE A 33 -7.568 3.538 1.885 1.00 0.00 C ATOM 194 C ILE A 33 -6.495 2.559 2.357 1.00 0.00 C ATOM 195 O ILE A 33 -6.769 1.376 2.558 1.00 0.00 O ATOM 196 CB ILE A 33 -7.407 3.802 0.378 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.620 4.606 -0.152 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.287 2.468 -0.374 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.786 3.679 -0.524 1.00 0.00 C ATOM 0 H ILE A 33 -7.249 5.608 2.035 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.547 3.099 2.075 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.501 4.385 0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.946 5.318 0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.321 5.186 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.173 2.661 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.417 1.922 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.185 1.874 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.621 4.275 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.465 2.985 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.100 3.119 0.356 1.00 0.00 H new ATOM 211 N GLY A 34 -5.274 3.055 2.532 1.00 0.00 N ATOM 212 CA GLY A 34 -4.177 2.205 2.978 1.00 0.00 C ATOM 213 C GLY A 34 -4.470 1.607 4.351 1.00 0.00 C ATOM 214 O GLY A 34 -4.240 0.421 4.583 1.00 0.00 O ATOM 0 H GLY A 34 -5.021 4.030 2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.016 1.405 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.256 2.786 3.020 1.00 0.00 H new ATOM 218 N ILE A 35 -4.983 2.435 5.254 1.00 0.00 N ATOM 219 CA ILE A 35 -5.311 1.977 6.600 1.00 0.00 C ATOM 220 C ILE A 35 -6.432 0.938 6.547 1.00 0.00 C ATOM 221 O ILE A 35 -6.382 -0.083 7.235 1.00 0.00 O ATOM 222 CB ILE A 35 -5.728 3.166 7.472 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.516 4.073 7.702 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.243 2.661 8.823 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.972 5.397 8.323 1.00 0.00 C ATOM 0 H ILE A 35 -5.180 3.421 5.081 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.428 1.513 7.039 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.518 3.724 6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.800 3.580 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.005 4.260 6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.538 3.510 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.103 2.011 8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.454 2.103 9.327 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.107 6.040 8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.671 5.893 7.650 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.463 5.202 9.276 1.00 0.00 H new ATOM 237 N LEU A 36 -7.445 1.209 5.727 1.00 0.00 N ATOM 238 CA LEU A 36 -8.576 0.296 5.592 1.00 0.00 C ATOM 239 C LEU A 36 -8.105 -1.054 5.062 1.00 0.00 C ATOM 240 O LEU A 36 -8.565 -2.103 5.515 1.00 0.00 O ATOM 241 CB LEU A 36 -9.623 0.896 4.641 1.00 0.00 C ATOM 242 CG LEU A 36 -10.796 -0.080 4.440 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.425 -0.449 5.793 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.850 0.590 3.552 1.00 0.00 C ATOM 0 H LEU A 36 -7.506 2.048 5.150 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.028 0.149 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.992 1.838 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.162 1.121 3.679 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.429 -0.991 3.967 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.253 -1.140 5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.675 -0.922 6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.794 0.453 6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.687 -0.092 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.206 1.501 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.408 0.839 2.587 1.00 0.00 H new ATOM 256 N HIS A 37 -7.186 -1.021 4.104 1.00 0.00 N ATOM 257 CA HIS A 37 -6.666 -2.255 3.529 1.00 0.00 C ATOM 258 C HIS A 37 -6.032 -3.109 4.619 1.00 0.00 C ATOM 259 O HIS A 37 -6.204 -4.329 4.645 1.00 0.00 O ATOM 260 CB HIS A 37 -5.615 -1.943 2.462 1.00 0.00 C ATOM 261 CG HIS A 37 -5.139 -3.235 1.854 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.325 -3.541 0.518 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.502 -4.321 2.400 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.810 -4.766 0.310 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.298 -5.284 1.423 1.00 0.00 N ATOM 0 H HIS A 37 -6.790 -0.166 3.714 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.493 -2.798 3.072 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.039 -1.298 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.778 -1.403 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.205 -4.412 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.812 -5.269 -0.646 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.851 -6.194 1.534 1.00 0.00 H new ATOM 273 N LEU A 38 -5.298 -2.463 5.517 1.00 0.00 N ATOM 274 CA LEU A 38 -4.634 -3.170 6.606 1.00 0.00 C ATOM 275 C LEU A 38 -5.646 -3.873 7.503 1.00 0.00 C ATOM 276 O LEU A 38 -5.387 -4.972 7.979 1.00 0.00 O ATOM 277 CB LEU A 38 -3.772 -2.185 7.427 1.00 0.00 C ATOM 278 CG LEU A 38 -2.348 -2.095 6.829 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.692 -0.775 7.233 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.485 -3.259 7.346 1.00 0.00 C ATOM 0 H LEU A 38 -5.148 -1.454 5.513 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.986 -3.933 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.236 -1.199 7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.718 -2.515 8.465 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.425 -2.149 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.690 -0.721 6.807 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.290 0.057 6.861 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.628 -0.718 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.484 -3.187 6.920 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.421 -3.209 8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.938 -4.206 7.052 1.00 0.00 H new ATOM 292 N ILE A 39 -6.785 -3.240 7.746 1.00 0.00 N ATOM 293 CA ILE A 39 -7.795 -3.848 8.605 1.00 0.00 C ATOM 294 C ILE A 39 -8.293 -5.160 7.996 1.00 0.00 C ATOM 295 O ILE A 39 -8.437 -6.165 8.695 1.00 0.00 O ATOM 296 CB ILE A 39 -8.970 -2.881 8.789 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.495 -1.664 9.591 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.101 -3.580 9.547 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.572 -0.575 9.583 1.00 0.00 C ATOM 0 H ILE A 39 -7.032 -2.324 7.370 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.347 -4.061 9.576 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.336 -2.562 7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.273 -1.959 10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.571 -1.275 9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.934 -2.889 9.676 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.435 -4.450 8.981 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.741 -3.900 10.525 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.224 0.285 10.156 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.773 -0.270 8.556 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.486 -0.964 10.032 1.00 0.00 H new ATOM 311 N LEU A 40 -8.559 -5.151 6.697 1.00 0.00 N ATOM 312 CA LEU A 40 -9.038 -6.354 6.023 1.00 0.00 C ATOM 313 C LEU A 40 -7.911 -7.384 5.848 1.00 0.00 C ATOM 314 O LEU A 40 -8.101 -8.576 6.104 1.00 0.00 O ATOM 315 CB LEU A 40 -9.621 -5.979 4.659 1.00 0.00 C ATOM 316 CG LEU A 40 -10.647 -4.851 4.830 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.207 -4.460 3.461 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.792 -5.316 5.746 1.00 0.00 C ATOM 0 H LEU A 40 -8.454 -4.336 6.093 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.812 -6.808 6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.824 -5.661 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.094 -6.849 4.203 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.159 -3.988 5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.936 -3.659 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.395 -4.118 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.690 -5.324 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.516 -4.509 5.862 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.283 -6.183 5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.390 -5.586 6.723 1.00 0.00 H new ATOM 330 N TRP A 41 -6.746 -6.915 5.403 1.00 0.00 N ATOM 331 CA TRP A 41 -5.602 -7.802 5.182 1.00 0.00 C ATOM 332 C TRP A 41 -5.084 -8.391 6.492 1.00 0.00 C ATOM 333 O TRP A 41 -4.817 -9.588 6.576 1.00 0.00 O ATOM 334 CB TRP A 41 -4.486 -7.031 4.467 1.00 0.00 C ATOM 335 CG TRP A 41 -3.240 -7.862 4.386 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.967 -8.780 3.425 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.082 -7.840 5.264 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.724 -9.331 3.675 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.138 -8.780 4.795 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.762 -7.099 6.416 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.077 -8.978 5.446 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.536 -7.296 7.067 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.380 -8.233 6.583 1.00 0.00 C ATOM 0 H TRP A 41 -6.569 -5.933 5.189 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.931 -8.633 4.558 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.812 -6.755 3.464 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.277 -6.104 5.001 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.615 -9.038 2.600 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.293 -10.056 3.101 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.464 -6.375 6.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.781 -9.706 5.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.298 -6.719 7.949 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.322 -8.380 7.090 1.00 0.00 H new ATOM 354 N ILE A 42 -4.935 -7.551 7.509 1.00 0.00 N ATOM 355 CA ILE A 42 -4.438 -8.022 8.799 1.00 0.00 C ATOM 356 C ILE A 42 -5.432 -9.002 9.414 1.00 0.00 C ATOM 357 O ILE A 42 -5.044 -9.934 10.119 1.00 0.00 O ATOM 358 CB ILE A 42 -4.204 -6.836 9.753 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.330 -7.291 10.932 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.547 -6.301 10.287 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.927 -6.071 11.763 1.00 0.00 C ATOM 0 H ILE A 42 -5.147 -6.554 7.469 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.487 -8.531 8.641 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.700 -6.039 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.876 -8.003 11.551 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.442 -7.804 10.564 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.363 -5.463 10.960 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.164 -5.968 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.065 -7.093 10.827 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.307 -6.390 12.601 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.365 -5.376 11.140 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.822 -5.577 12.142 1.00 0.00 H new ATOM 373 N LEU A 43 -6.716 -8.783 9.143 1.00 0.00 N ATOM 374 CA LEU A 43 -7.754 -9.652 9.681 1.00 0.00 C ATOM 375 C LEU A 43 -7.550 -11.084 9.193 1.00 0.00 C ATOM 376 O LEU A 43 -7.611 -12.027 9.981 1.00 0.00 O ATOM 377 CB LEU A 43 -9.132 -9.146 9.236 1.00 0.00 C ATOM 378 CG LEU A 43 -10.244 -10.093 9.715 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.180 -10.259 11.243 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.602 -9.503 9.321 1.00 0.00 C ATOM 0 H LEU A 43 -7.058 -8.019 8.560 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.696 -9.639 10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.303 -8.146 9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.161 -9.065 8.149 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.111 -11.070 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.973 -10.932 11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.212 -10.675 11.524 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.309 -9.288 11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.398 -10.167 9.656 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.724 -8.526 9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.651 -9.395 8.237 1.00 0.00 H new ATOM 633 N VAL B 28 -0.167 11.594 -7.310 1.00 0.00 N ATOM 634 CA VAL B 28 -1.423 11.119 -7.880 1.00 0.00 C ATOM 635 C VAL B 28 -1.277 9.685 -8.369 1.00 0.00 C ATOM 636 O VAL B 28 -2.170 8.858 -8.186 1.00 0.00 O ATOM 637 CB VAL B 28 -1.851 12.019 -9.040 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.166 13.418 -8.511 1.00 0.00 C ATOM 639 CG2 VAL B 28 -0.721 12.111 -10.064 1.00 0.00 C ATOM 0 HA VAL B 28 -2.187 11.151 -7.103 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.738 11.597 -9.513 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.471 14.059 -9.338 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.974 13.358 -7.781 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -1.278 13.836 -8.036 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.029 12.753 -10.889 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.166 12.530 -9.590 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.493 11.115 -10.445 1.00 0.00 H new ATOM 649 N ALA B 29 -0.144 9.400 -8.997 1.00 0.00 N ATOM 650 CA ALA B 29 0.119 8.064 -9.518 1.00 0.00 C ATOM 651 C ALA B 29 0.130 7.043 -8.388 1.00 0.00 C ATOM 652 O ALA B 29 -0.379 5.934 -8.539 1.00 0.00 O ATOM 653 CB ALA B 29 1.467 8.039 -10.242 1.00 0.00 C ATOM 0 H ALA B 29 0.606 10.073 -9.158 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.674 7.807 -10.220 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.654 7.037 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.449 8.749 -11.069 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.259 8.314 -9.546 1.00 0.00 H new ATOM 659 N ALA B 30 0.712 7.421 -7.256 1.00 0.00 N ATOM 660 CA ALA B 30 0.780 6.516 -6.116 1.00 0.00 C ATOM 661 C ALA B 30 -0.619 6.179 -5.610 1.00 0.00 C ATOM 662 O ALA B 30 -0.905 5.029 -5.277 1.00 0.00 O ATOM 663 CB ALA B 30 1.592 7.158 -4.992 1.00 0.00 C ATOM 0 H ALA B 30 1.138 8.335 -7.104 1.00 0.00 H new ATOM 0 HA ALA B 30 1.266 5.594 -6.436 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.639 6.477 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.601 7.367 -5.346 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.115 8.089 -4.685 1.00 0.00 H new ATOM 669 N ASN B 31 -1.488 7.183 -5.556 1.00 0.00 N ATOM 670 CA ASN B 31 -2.854 6.965 -5.088 1.00 0.00 C ATOM 671 C ASN B 31 -3.600 6.036 -6.043 1.00 0.00 C ATOM 672 O ASN B 31 -4.329 5.141 -5.613 1.00 0.00 O ATOM 673 CB ASN B 31 -3.589 8.303 -4.988 1.00 0.00 C ATOM 674 CG ASN B 31 -5.009 8.089 -4.471 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.591 7.022 -4.668 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.602 9.044 -3.809 1.00 0.00 N ATOM 0 H ASN B 31 -1.276 8.143 -5.826 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.816 6.500 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.049 8.974 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.619 8.783 -5.966 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.548 8.907 -3.454 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.119 9.928 -3.646 1.00 0.00 H new ATOM 683 N ILE B 32 -3.409 6.255 -7.341 1.00 0.00 N ATOM 684 CA ILE B 32 -4.062 5.432 -8.354 1.00 0.00 C ATOM 685 C ILE B 32 -3.560 3.990 -8.275 1.00 0.00 C ATOM 686 O ILE B 32 -4.341 3.044 -8.373 1.00 0.00 O ATOM 687 CB ILE B 32 -3.784 6.002 -9.748 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.491 7.353 -9.888 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.314 5.041 -10.819 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.996 8.061 -11.150 1.00 0.00 C ATOM 0 H ILE B 32 -2.810 6.992 -7.715 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.136 5.440 -8.169 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.709 6.129 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.570 7.207 -9.940 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.295 7.970 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.113 5.452 -11.808 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.817 4.076 -10.720 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.389 4.911 -10.691 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.500 9.023 -11.249 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.920 8.221 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.215 7.445 -12.022 1.00 0.00 H new ATOM 702 N ILE B 33 -2.252 3.836 -8.105 1.00 0.00 N ATOM 703 CA ILE B 33 -1.649 2.510 -8.027 1.00 0.00 C ATOM 704 C ILE B 33 -2.184 1.752 -6.813 1.00 0.00 C ATOM 705 O ILE B 33 -2.504 0.568 -6.905 1.00 0.00 O ATOM 706 CB ILE B 33 -0.119 2.645 -7.924 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.452 3.203 -9.250 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.504 1.278 -7.615 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.705 2.080 -10.265 1.00 0.00 C ATOM 0 H ILE B 33 -1.591 4.608 -8.019 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.906 1.952 -8.927 1.00 0.00 H new ATOM 0 HB ILE B 33 0.125 3.336 -7.117 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.245 3.927 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.383 3.734 -9.052 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.587 1.380 -7.543 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.111 0.904 -6.669 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.257 0.577 -8.413 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.106 2.505 -11.185 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.421 1.370 -9.851 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.232 1.566 -10.480 1.00 0.00 H new ATOM 721 N GLY B 34 -2.277 2.439 -5.679 1.00 0.00 N ATOM 722 CA GLY B 34 -2.773 1.808 -4.461 1.00 0.00 C ATOM 723 C GLY B 34 -4.204 1.312 -4.644 1.00 0.00 C ATOM 724 O GLY B 34 -4.544 0.203 -4.236 1.00 0.00 O ATOM 0 H GLY B 34 -2.019 3.421 -5.578 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.127 0.973 -4.191 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.734 2.520 -3.637 1.00 0.00 H new ATOM 728 N ILE B 35 -5.037 2.142 -5.266 1.00 0.00 N ATOM 729 CA ILE B 35 -6.428 1.775 -5.504 1.00 0.00 C ATOM 730 C ILE B 35 -6.507 0.582 -6.458 1.00 0.00 C ATOM 731 O ILE B 35 -7.287 -0.347 -6.247 1.00 0.00 O ATOM 732 CB ILE B 35 -7.195 2.971 -6.084 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.302 4.065 -5.016 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.601 2.530 -6.501 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.809 5.362 -5.656 1.00 0.00 C ATOM 0 H ILE B 35 -4.775 3.065 -5.611 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.883 1.491 -4.555 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.665 3.355 -6.956 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -7.981 3.749 -4.224 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.329 4.232 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.143 3.382 -6.912 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.528 1.748 -7.256 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.135 2.146 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.884 6.138 -4.895 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.113 5.681 -6.432 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.791 5.190 -6.097 1.00 0.00 H new ATOM 747 N LEU B 36 -5.690 0.618 -7.510 1.00 0.00 N ATOM 748 CA LEU B 36 -5.676 -0.462 -8.491 1.00 0.00 C ATOM 749 C LEU B 36 -5.267 -1.774 -7.833 1.00 0.00 C ATOM 750 O LEU B 36 -5.831 -2.830 -8.122 1.00 0.00 O ATOM 751 CB LEU B 36 -4.698 -0.123 -9.628 1.00 0.00 C ATOM 752 CG LEU B 36 -4.623 -1.276 -10.644 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.023 -1.600 -11.193 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.704 -0.862 -11.796 1.00 0.00 C ATOM 0 H LEU B 36 -5.036 1.376 -7.702 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.680 -0.574 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.019 0.790 -10.130 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.707 0.070 -9.216 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.229 -2.165 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.952 -2.418 -11.910 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.677 -1.893 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.433 -0.719 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.644 -1.672 -12.522 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.105 0.029 -12.279 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.708 -0.648 -11.408 1.00 0.00 H new ATOM 766 N HIS B 37 -4.285 -1.703 -6.938 1.00 0.00 N ATOM 767 CA HIS B 37 -3.818 -2.896 -6.246 1.00 0.00 C ATOM 768 C HIS B 37 -4.968 -3.534 -5.477 1.00 0.00 C ATOM 769 O HIS B 37 -5.117 -4.756 -5.464 1.00 0.00 O ATOM 770 CB HIS B 37 -2.695 -2.541 -5.272 1.00 0.00 C ATOM 771 CG HIS B 37 -2.205 -3.799 -4.611 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.905 -4.256 -4.759 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.832 -4.720 -3.813 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.800 -5.404 -4.067 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.944 -5.731 -3.472 1.00 0.00 N ATOM 0 H HIS B 37 -3.804 -0.842 -6.679 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.439 -3.600 -6.987 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.878 -2.051 -5.802 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.056 -1.837 -4.522 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.863 -4.667 -3.497 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.105 -5.990 -4.002 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.129 -6.548 -2.891 1.00 0.00 H new ATOM 783 N LEU B 38 -5.778 -2.699 -4.839 1.00 0.00 N ATOM 784 CA LEU B 38 -6.910 -3.188 -4.062 1.00 0.00 C ATOM 785 C LEU B 38 -7.898 -3.941 -4.945 1.00 0.00 C ATOM 786 O LEU B 38 -8.471 -4.939 -4.518 1.00 0.00 O ATOM 787 CB LEU B 38 -7.611 -2.009 -3.347 1.00 0.00 C ATOM 788 CG LEU B 38 -6.971 -1.770 -1.960 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.229 -0.336 -1.504 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.574 -2.739 -0.928 1.00 0.00 C ATOM 0 H LEU B 38 -5.673 -1.684 -4.844 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.535 -3.884 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.531 -1.107 -3.953 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.674 -2.223 -3.233 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.897 -1.941 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.774 -0.178 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.794 0.358 -2.223 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.303 -0.163 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.117 -2.564 0.046 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.649 -2.575 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.383 -3.766 -1.238 1.00 0.00 H new ATOM 802 N ILE B 39 -8.108 -3.465 -6.164 1.00 0.00 N ATOM 803 CA ILE B 39 -9.048 -4.129 -7.059 1.00 0.00 C ATOM 804 C ILE B 39 -8.582 -5.554 -7.362 1.00 0.00 C ATOM 805 O ILE B 39 -9.378 -6.494 -7.345 1.00 0.00 O ATOM 806 CB ILE B 39 -9.170 -3.333 -8.364 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.840 -1.987 -8.068 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.022 -4.114 -9.369 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.756 -1.076 -9.297 1.00 0.00 C ATOM 0 H ILE B 39 -7.652 -2.639 -6.551 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.022 -4.177 -6.572 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.178 -3.170 -8.785 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.883 -2.144 -7.792 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.354 -1.509 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.106 -3.545 -10.295 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.551 -5.075 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.016 -4.279 -8.953 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.235 -0.122 -9.076 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.710 -0.906 -9.553 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.263 -1.551 -10.137 1.00 0.00 H new ATOM 821 N LEU B 40 -7.295 -5.713 -7.643 1.00 0.00 N ATOM 822 CA LEU B 40 -6.754 -7.035 -7.944 1.00 0.00 C ATOM 823 C LEU B 40 -6.646 -7.896 -6.678 1.00 0.00 C ATOM 824 O LEU B 40 -7.021 -9.073 -6.681 1.00 0.00 O ATOM 825 CB LEU B 40 -5.376 -6.887 -8.593 1.00 0.00 C ATOM 826 CG LEU B 40 -5.467 -5.912 -9.775 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.081 -5.744 -10.405 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.452 -6.447 -10.825 1.00 0.00 C ATOM 0 H LEU B 40 -6.613 -4.955 -7.669 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.435 -7.536 -8.632 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.655 -6.521 -7.861 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.018 -7.858 -8.936 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.824 -4.947 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.144 -5.052 -11.245 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.389 -5.350 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.722 -6.711 -10.758 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.509 -5.748 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.108 -7.416 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.439 -6.557 -10.375 1.00 0.00 H new ATOM 840 N TRP B 41 -6.126 -7.308 -5.601 1.00 0.00 N ATOM 841 CA TRP B 41 -5.958 -8.030 -4.340 1.00 0.00 C ATOM 842 C TRP B 41 -7.307 -8.405 -3.724 1.00 0.00 C ATOM 843 O TRP B 41 -7.497 -9.537 -3.281 1.00 0.00 O ATOM 844 CB TRP B 41 -5.146 -7.174 -3.362 1.00 0.00 C ATOM 845 CG TRP B 41 -5.113 -7.816 -2.007 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.238 -8.772 -1.613 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.955 -7.536 -0.855 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.508 -9.109 -0.298 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.555 -8.370 0.212 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.022 -6.649 -0.637 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.190 -8.324 1.449 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.659 -6.597 0.612 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.244 -7.434 1.650 1.00 0.00 C ATOM 0 H TRP B 41 -5.815 -6.337 -5.576 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.422 -8.957 -4.545 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.130 -7.048 -3.736 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.585 -6.179 -3.289 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.458 -9.201 -2.224 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -3.996 -9.817 0.229 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.354 -6.003 -1.436 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.868 -8.974 2.249 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.474 -5.907 0.771 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.740 -7.392 2.609 1.00 0.00 H new ATOM 864 N ILE B 42 -8.236 -7.456 -3.690 1.00 0.00 N ATOM 865 CA ILE B 42 -9.549 -7.718 -3.112 1.00 0.00 C ATOM 866 C ILE B 42 -10.284 -8.769 -3.940 1.00 0.00 C ATOM 867 O ILE B 42 -11.065 -9.559 -3.407 1.00 0.00 O ATOM 868 CB ILE B 42 -10.380 -6.423 -3.047 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.575 -6.624 -2.102 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.896 -6.043 -4.450 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.273 -5.280 -1.876 1.00 0.00 C ATOM 0 H ILE B 42 -8.108 -6.511 -4.051 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.412 -8.094 -2.098 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.745 -5.619 -2.674 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.274 -7.343 -2.529 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.236 -7.035 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.481 -5.126 -4.386 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.050 -5.888 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.522 -6.847 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.121 -5.419 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.570 -4.575 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.625 -4.888 -2.830 1.00 0.00 H new ATOM 883 N LEU B 43 -10.027 -8.771 -5.246 1.00 0.00 N ATOM 884 CA LEU B 43 -10.673 -9.728 -6.133 1.00 0.00 C ATOM 885 C LEU B 43 -10.320 -11.154 -5.723 1.00 0.00 C ATOM 886 O LEU B 43 -11.195 -12.013 -5.632 1.00 0.00 O ATOM 887 CB LEU B 43 -10.219 -9.477 -7.578 1.00 0.00 C ATOM 888 CG LEU B 43 -10.819 -10.528 -8.528 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.352 -10.530 -8.421 1.00 0.00 C ATOM 890 CD2 LEU B 43 -10.406 -10.187 -9.965 1.00 0.00 C ATOM 0 H LEU B 43 -9.383 -8.128 -5.707 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.753 -9.601 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.525 -8.479 -7.892 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.131 -9.509 -7.633 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.449 -11.516 -8.255 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.763 -11.278 -9.099 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.645 -10.767 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -12.737 -9.546 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.825 -10.925 -10.649 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.780 -9.197 -10.226 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.319 -10.196 -10.043 1.00 0.00 H new ATOM 1143 N VAL C 28 8.079 10.817 -2.051 1.00 0.00 N ATOM 1144 CA VAL C 28 8.605 10.101 -3.209 1.00 0.00 C ATOM 1145 C VAL C 28 8.978 8.673 -2.827 1.00 0.00 C ATOM 1146 O VAL C 28 8.725 7.730 -3.576 1.00 0.00 O ATOM 1147 CB VAL C 28 9.834 10.824 -3.764 1.00 0.00 C ATOM 1148 CG1 VAL C 28 9.418 12.192 -4.307 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.865 11.014 -2.653 1.00 0.00 C ATOM 0 HA VAL C 28 7.831 10.071 -3.976 1.00 0.00 H new ATOM 0 HB VAL C 28 10.271 10.228 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL C 28 10.293 12.708 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL C 28 8.684 12.060 -5.102 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.980 12.784 -3.504 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.739 11.529 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL C 28 10.429 11.608 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.164 10.041 -2.264 1.00 0.00 H new ATOM 1159 N ALA C 29 9.586 8.527 -1.656 1.00 0.00 N ATOM 1160 CA ALA C 29 9.997 7.214 -1.177 1.00 0.00 C ATOM 1161 C ALA C 29 8.788 6.300 -1.016 1.00 0.00 C ATOM 1162 O ALA C 29 8.847 5.118 -1.342 1.00 0.00 O ATOM 1163 CB ALA C 29 10.715 7.347 0.168 1.00 0.00 C ATOM 0 H ALA C 29 9.804 9.297 -1.024 1.00 0.00 H new ATOM 0 HA ALA C 29 10.676 6.779 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.018 6.360 0.518 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.597 7.977 0.049 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.042 7.799 0.897 1.00 0.00 H new ATOM 1169 N ALA C 30 7.693 6.856 -0.511 1.00 0.00 N ATOM 1170 CA ALA C 30 6.483 6.070 -0.311 1.00 0.00 C ATOM 1171 C ALA C 30 5.948 5.553 -1.643 1.00 0.00 C ATOM 1172 O ALA C 30 5.524 4.401 -1.743 1.00 0.00 O ATOM 1173 CB ALA C 30 5.417 6.922 0.375 1.00 0.00 C ATOM 0 H ALA C 30 7.618 7.835 -0.236 1.00 0.00 H new ATOM 0 HA ALA C 30 6.728 5.216 0.321 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.515 6.328 0.521 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.789 7.261 1.342 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.185 7.786 -0.248 1.00 0.00 H new ATOM 1179 N ASN C 31 5.971 6.405 -2.662 1.00 0.00 N ATOM 1180 CA ASN C 31 5.484 6.007 -3.980 1.00 0.00 C ATOM 1181 C ASN C 31 6.357 4.897 -4.558 1.00 0.00 C ATOM 1182 O ASN C 31 5.854 3.935 -5.137 1.00 0.00 O ATOM 1183 CB ASN C 31 5.489 7.214 -4.922 1.00 0.00 C ATOM 1184 CG ASN C 31 4.951 6.814 -6.293 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.060 5.656 -6.694 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.368 7.712 -7.041 1.00 0.00 N ATOM 0 H ASN C 31 6.316 7.363 -2.604 1.00 0.00 H new ATOM 0 HA ASN C 31 4.465 5.633 -3.877 1.00 0.00 H new ATOM 0 HB2 ASN C 31 4.879 8.014 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.502 7.604 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.003 7.453 -7.958 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.278 8.672 -6.708 1.00 0.00 H new ATOM 1193 N ILE C 32 7.669 5.039 -4.391 1.00 0.00 N ATOM 1194 CA ILE C 32 8.611 4.042 -4.892 1.00 0.00 C ATOM 1195 C ILE C 32 8.418 2.713 -4.167 1.00 0.00 C ATOM 1196 O ILE C 32 8.438 1.648 -4.786 1.00 0.00 O ATOM 1197 CB ILE C 32 10.047 4.538 -4.699 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.292 5.742 -5.611 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.036 3.422 -5.056 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.609 6.418 -5.226 1.00 0.00 C ATOM 0 H ILE C 32 8.103 5.830 -3.915 1.00 0.00 H new ATOM 0 HA ILE C 32 8.424 3.889 -5.955 1.00 0.00 H new ATOM 0 HB ILE C 32 10.192 4.827 -3.658 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.327 5.421 -6.652 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.469 6.451 -5.523 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.056 3.781 -4.917 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.863 2.562 -4.409 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.894 3.129 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.782 7.275 -5.877 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.557 6.753 -4.190 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.428 5.708 -5.336 1.00 0.00 H new ATOM 1212 N ILE C 33 8.243 2.784 -2.852 1.00 0.00 N ATOM 1213 CA ILE C 33 8.059 1.583 -2.044 1.00 0.00 C ATOM 1214 C ILE C 33 6.788 0.848 -2.463 1.00 0.00 C ATOM 1215 O ILE C 33 6.784 -0.376 -2.588 1.00 0.00 O ATOM 1216 CB ILE C 33 7.973 1.971 -0.558 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.342 2.507 -0.071 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.557 0.750 0.275 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.267 1.363 0.366 1.00 0.00 C ATOM 0 H ILE C 33 8.225 3.657 -2.324 1.00 0.00 H new ATOM 0 HA ILE C 33 8.910 0.920 -2.198 1.00 0.00 H new ATOM 0 HB ILE C 33 7.225 2.755 -0.436 1.00 0.00 H new ATOM 0 HG12 ILE C 33 9.817 3.076 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.190 3.193 0.762 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.498 1.030 1.327 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.583 0.395 -0.061 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.295 -0.043 0.152 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.219 1.773 0.702 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.802 0.810 1.182 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.438 0.692 -0.476 1.00 0.00 H new ATOM 1231 N GLY C 34 5.712 1.599 -2.678 1.00 0.00 N ATOM 1232 CA GLY C 34 4.447 0.997 -3.080 1.00 0.00 C ATOM 1233 C GLY C 34 4.587 0.263 -4.409 1.00 0.00 C ATOM 1234 O GLY C 34 4.091 -0.852 -4.568 1.00 0.00 O ATOM 0 H GLY C 34 5.691 2.614 -2.582 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.111 0.302 -2.311 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.684 1.770 -3.167 1.00 0.00 H new ATOM 1238 N ILE C 35 5.267 0.894 -5.358 1.00 0.00 N ATOM 1239 CA ILE C 35 5.470 0.290 -6.668 1.00 0.00 C ATOM 1240 C ILE C 35 6.324 -0.972 -6.545 1.00 0.00 C ATOM 1241 O ILE C 35 6.035 -1.994 -7.166 1.00 0.00 O ATOM 1242 CB ILE C 35 6.141 1.295 -7.611 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.168 2.444 -7.904 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.515 0.604 -8.925 1.00 0.00 C ATOM 1245 CD1 ILE C 35 5.913 3.584 -8.603 1.00 0.00 C ATOM 0 H ILE C 35 5.685 1.818 -5.246 1.00 0.00 H new ATOM 0 HA ILE C 35 4.500 0.013 -7.081 1.00 0.00 H new ATOM 0 HB ILE C 35 7.043 1.685 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.351 2.090 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.723 2.802 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE C 35 6.992 1.323 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.205 -0.215 -8.722 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.615 0.211 -9.399 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.219 4.399 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.714 3.944 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.337 3.221 -9.540 1.00 0.00 H new ATOM 1257 N LEU C 36 7.377 -0.888 -5.736 1.00 0.00 N ATOM 1258 CA LEU C 36 8.270 -2.026 -5.534 1.00 0.00 C ATOM 1259 C LEU C 36 7.506 -3.197 -4.926 1.00 0.00 C ATOM 1260 O LEU C 36 7.709 -4.350 -5.309 1.00 0.00 O ATOM 1261 CB LEU C 36 9.431 -1.625 -4.615 1.00 0.00 C ATOM 1262 CG LEU C 36 10.352 -2.829 -4.346 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.868 -3.416 -5.668 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.538 -2.366 -3.494 1.00 0.00 C ATOM 0 H LEU C 36 7.632 -0.050 -5.213 1.00 0.00 H new ATOM 0 HA LEU C 36 8.670 -2.332 -6.501 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.003 -0.819 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.040 -1.242 -3.672 1.00 0.00 H new ATOM 0 HG LEU C 36 9.790 -3.600 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.518 -4.266 -5.460 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.024 -3.744 -6.274 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.429 -2.655 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.197 -3.212 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.090 -1.592 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.172 -1.964 -2.549 1.00 0.00 H new ATOM 1276 N HIS C 37 6.625 -2.896 -3.978 1.00 0.00 N ATOM 1277 CA HIS C 37 5.841 -3.939 -3.331 1.00 0.00 C ATOM 1278 C HIS C 37 5.019 -4.692 -4.369 1.00 0.00 C ATOM 1279 O HIS C 37 4.904 -5.917 -4.319 1.00 0.00 O ATOM 1280 CB HIS C 37 4.900 -3.329 -2.289 1.00 0.00 C ATOM 1281 CG HIS C 37 4.143 -4.437 -1.608 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.264 -4.694 -0.253 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.269 -5.379 -2.088 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.484 -5.753 0.027 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.857 -6.208 -1.055 1.00 0.00 N ATOM 0 H HIS C 37 6.438 -1.950 -3.644 1.00 0.00 H new ATOM 0 HA HIS C 37 6.526 -4.628 -2.837 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.469 -2.756 -1.557 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.207 -2.637 -2.767 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.949 -5.463 -3.116 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.379 -6.183 1.012 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.212 -6.996 -1.112 1.00 0.00 H new ATOM 1293 N LEU C 38 4.446 -3.949 -5.310 1.00 0.00 N ATOM 1294 CA LEU C 38 3.629 -4.553 -6.359 1.00 0.00 C ATOM 1295 C LEU C 38 4.446 -5.522 -7.203 1.00 0.00 C ATOM 1296 O LEU C 38 3.939 -6.563 -7.611 1.00 0.00 O ATOM 1297 CB LEU C 38 3.011 -3.449 -7.244 1.00 0.00 C ATOM 1298 CG LEU C 38 1.650 -2.997 -6.666 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.314 -1.591 -7.154 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.539 -3.962 -7.116 1.00 0.00 C ATOM 0 H LEU C 38 4.531 -2.934 -5.369 1.00 0.00 H new ATOM 0 HA LEU C 38 2.827 -5.121 -5.887 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.690 -2.598 -7.303 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.877 -3.820 -8.260 1.00 0.00 H new ATOM 0 HG LEU C 38 1.718 -2.999 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.354 -1.282 -6.741 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.089 -0.898 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.259 -1.587 -8.243 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.416 -3.635 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.481 -3.968 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.763 -4.967 -6.759 1.00 0.00 H new ATOM 1312 N ILE C 39 5.697 -5.184 -7.476 1.00 0.00 N ATOM 1313 CA ILE C 39 6.535 -6.060 -8.289 1.00 0.00 C ATOM 1314 C ILE C 39 6.723 -7.411 -7.596 1.00 0.00 C ATOM 1315 O ILE C 39 6.628 -8.464 -8.230 1.00 0.00 O ATOM 1316 CB ILE C 39 7.899 -5.401 -8.524 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.710 -4.160 -9.406 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.835 -6.387 -9.231 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.008 -3.349 -9.457 1.00 0.00 C ATOM 0 H ILE C 39 6.150 -4.328 -7.156 1.00 0.00 H new ATOM 0 HA ILE C 39 6.044 -6.225 -9.248 1.00 0.00 H new ATOM 0 HB ILE C 39 8.335 -5.114 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.420 -4.460 -10.413 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.902 -3.544 -9.012 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.803 -5.915 -9.396 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.965 -7.274 -8.611 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.403 -6.675 -10.190 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.864 -2.470 -10.086 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.280 -3.034 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.806 -3.965 -9.872 1.00 0.00 H new ATOM 1331 N LEU C 40 6.995 -7.382 -6.299 1.00 0.00 N ATOM 1332 CA LEU C 40 7.189 -8.619 -5.548 1.00 0.00 C ATOM 1333 C LEU C 40 5.858 -9.350 -5.317 1.00 0.00 C ATOM 1334 O LEU C 40 5.767 -10.567 -5.497 1.00 0.00 O ATOM 1335 CB LEU C 40 7.852 -8.304 -4.206 1.00 0.00 C ATOM 1336 CG LEU C 40 9.108 -7.454 -4.440 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.755 -7.117 -3.093 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.110 -8.225 -5.317 1.00 0.00 C ATOM 0 H LEU C 40 7.086 -6.528 -5.748 1.00 0.00 H new ATOM 0 HA LEU C 40 7.833 -9.276 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.154 -7.770 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.117 -9.229 -3.694 1.00 0.00 H new ATOM 0 HG LEU C 40 8.827 -6.533 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.647 -6.513 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.048 -6.559 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.031 -8.039 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.998 -7.614 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.393 -9.152 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.650 -8.456 -6.278 1.00 0.00 H new ATOM 1350 N TRP C 41 4.834 -8.600 -4.908 1.00 0.00 N ATOM 1351 CA TRP C 41 3.520 -9.184 -4.640 1.00 0.00 C ATOM 1352 C TRP C 41 2.869 -9.719 -5.916 1.00 0.00 C ATOM 1353 O TRP C 41 2.336 -10.828 -5.928 1.00 0.00 O ATOM 1354 CB TRP C 41 2.615 -8.134 -3.984 1.00 0.00 C ATOM 1355 CG TRP C 41 1.212 -8.653 -3.859 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.744 -9.420 -2.847 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.084 -8.418 -4.746 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.594 -9.684 -3.069 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.048 -9.085 -4.225 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.066 -7.699 -5.943 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.281 -9.038 -4.871 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.311 -7.648 -6.591 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.412 -8.316 -6.055 1.00 0.00 C ATOM 0 H TRP C 41 4.888 -7.593 -4.756 1.00 0.00 H new ATOM 0 HA TRP C 41 3.655 -10.027 -3.962 1.00 0.00 H new ATOM 0 HB2 TRP C 41 3.003 -7.876 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.619 -7.220 -4.578 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.322 -9.769 -2.004 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.175 -10.253 -2.453 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.782 -7.182 -6.368 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.131 -9.559 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.416 -7.089 -7.509 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.367 -8.273 -6.558 1.00 0.00 H new ATOM 1374 N ILE C 42 2.910 -8.932 -6.985 1.00 0.00 N ATOM 1375 CA ILE C 42 2.309 -9.356 -8.246 1.00 0.00 C ATOM 1376 C ILE C 42 3.046 -10.575 -8.792 1.00 0.00 C ATOM 1377 O ILE C 42 2.450 -11.434 -9.440 1.00 0.00 O ATOM 1378 CB ILE C 42 2.345 -8.210 -9.273 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.383 -8.524 -10.430 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.772 -8.032 -9.830 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.262 -7.299 -11.337 1.00 0.00 C ATOM 0 H ILE C 42 3.346 -8.010 -7.006 1.00 0.00 H new ATOM 0 HA ILE C 42 1.268 -9.623 -8.063 1.00 0.00 H new ATOM 0 HB ILE C 42 2.039 -7.288 -8.779 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.749 -9.378 -11.000 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.403 -8.799 -10.039 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.781 -7.218 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.455 -7.798 -9.013 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.090 -8.954 -10.316 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.580 -7.520 -12.158 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.877 -6.457 -10.762 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.243 -7.045 -11.739 1.00 0.00 H new ATOM 1393 N LEU C 43 4.349 -10.639 -8.526 1.00 0.00 N ATOM 1394 CA LEU C 43 5.154 -11.756 -9.000 1.00 0.00 C ATOM 1395 C LEU C 43 4.632 -13.069 -8.426 1.00 0.00 C ATOM 1396 O LEU C 43 4.471 -14.048 -9.153 1.00 0.00 O ATOM 1397 CB LEU C 43 6.617 -11.552 -8.579 1.00 0.00 C ATOM 1398 CG LEU C 43 7.478 -12.758 -8.992 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.366 -12.998 -10.505 1.00 0.00 C ATOM 1400 CD2 LEU C 43 8.938 -12.471 -8.625 1.00 0.00 C ATOM 0 H LEU C 43 4.862 -9.938 -7.991 1.00 0.00 H new ATOM 0 HA LEU C 43 5.090 -11.799 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU C 43 7.009 -10.645 -9.039 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.673 -11.412 -7.499 1.00 0.00 H new ATOM 0 HG LEU C 43 7.128 -13.649 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU C 43 7.980 -13.854 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.326 -13.197 -10.766 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.712 -12.114 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.559 -13.319 -8.913 1.00 0.00 H new ATOM 0 HD22 LEU C 43 9.277 -11.578 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.018 -12.311 -7.550 1.00 0.00 H new ATOM 1653 N VAL D 28 2.830 11.684 6.556 1.00 0.00 N ATOM 1654 CA VAL D 28 3.943 10.967 7.166 1.00 0.00 C ATOM 1655 C VAL D 28 3.469 9.639 7.745 1.00 0.00 C ATOM 1656 O VAL D 28 4.145 8.617 7.621 1.00 0.00 O ATOM 1657 CB VAL D 28 4.576 11.814 8.273 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.206 13.065 7.659 1.00 0.00 C ATOM 1659 CG2 VAL D 28 3.505 12.231 9.277 1.00 0.00 C ATOM 0 HA VAL D 28 4.688 10.771 6.395 1.00 0.00 H new ATOM 0 HB VAL D 28 5.342 11.228 8.781 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.657 13.669 8.446 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.973 12.772 6.942 1.00 0.00 H new ATOM 0 HG13 VAL D 28 4.438 13.647 7.150 1.00 0.00 H new ATOM 0 HG21 VAL D 28 3.959 12.834 10.064 1.00 0.00 H new ATOM 0 HG22 VAL D 28 2.738 12.815 8.769 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.052 11.342 9.716 1.00 0.00 H new ATOM 1669 N ALA D 29 2.305 9.667 8.381 1.00 0.00 N ATOM 1670 CA ALA D 29 1.743 8.465 8.983 1.00 0.00 C ATOM 1671 C ALA D 29 1.488 7.404 7.919 1.00 0.00 C ATOM 1672 O ALA D 29 1.727 6.220 8.143 1.00 0.00 O ATOM 1673 CB ALA D 29 0.430 8.800 9.691 1.00 0.00 C ATOM 0 H ALA D 29 1.734 10.505 8.493 1.00 0.00 H new ATOM 0 HA ALA D 29 2.459 8.076 9.707 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.017 7.896 10.138 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.615 9.539 10.471 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.280 9.205 8.969 1.00 0.00 H new ATOM 1679 N ALA D 30 1.002 7.834 6.760 1.00 0.00 N ATOM 1680 CA ALA D 30 0.721 6.902 5.677 1.00 0.00 C ATOM 1681 C ALA D 30 1.999 6.215 5.208 1.00 0.00 C ATOM 1682 O ALA D 30 2.007 5.011 4.951 1.00 0.00 O ATOM 1683 CB ALA D 30 0.074 7.640 4.508 1.00 0.00 C ATOM 0 H ALA D 30 0.797 8.810 6.548 1.00 0.00 H new ATOM 0 HA ALA D 30 0.035 6.141 6.050 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.133 6.935 3.702 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.859 8.098 4.838 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.751 8.415 4.148 1.00 0.00 H new ATOM 1689 N ASN D 31 3.079 6.984 5.096 1.00 0.00 N ATOM 1690 CA ASN D 31 4.352 6.425 4.657 1.00 0.00 C ATOM 1691 C ASN D 31 4.868 5.412 5.675 1.00 0.00 C ATOM 1692 O ASN D 31 5.365 4.347 5.309 1.00 0.00 O ATOM 1693 CB ASN D 31 5.379 7.547 4.476 1.00 0.00 C ATOM 1694 CG ASN D 31 6.706 6.976 3.987 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.025 5.818 4.259 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.502 7.724 3.273 1.00 0.00 N ATOM 0 H ASN D 31 3.098 7.983 5.300 1.00 0.00 H new ATOM 0 HA ASN D 31 4.200 5.918 3.704 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.005 8.280 3.761 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.526 8.070 5.421 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.390 7.350 2.939 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.236 8.683 3.049 1.00 0.00 H new ATOM 1703 N ILE D 32 4.740 5.750 6.954 1.00 0.00 N ATOM 1704 CA ILE D 32 5.190 4.864 8.023 1.00 0.00 C ATOM 1705 C ILE D 32 4.367 3.575 8.031 1.00 0.00 C ATOM 1706 O ILE D 32 4.907 2.483 8.194 1.00 0.00 O ATOM 1707 CB ILE D 32 5.063 5.571 9.375 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.063 6.727 9.434 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.360 4.582 10.509 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.757 7.608 10.646 1.00 0.00 C ATOM 0 H ILE D 32 4.330 6.627 7.275 1.00 0.00 H new ATOM 0 HA ILE D 32 6.235 4.610 7.848 1.00 0.00 H new ATOM 0 HB ILE D 32 4.049 5.954 9.490 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.079 6.339 9.501 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.007 7.317 8.519 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.268 5.091 11.469 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.650 3.756 10.467 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.373 4.196 10.399 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.470 8.431 10.687 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.746 8.007 10.560 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.836 7.014 11.557 1.00 0.00 H new ATOM 1722 N ILE D 33 3.057 3.721 7.859 1.00 0.00 N ATOM 1723 CA ILE D 33 2.162 2.569 7.859 1.00 0.00 C ATOM 1724 C ILE D 33 2.499 1.633 6.701 1.00 0.00 C ATOM 1725 O ILE D 33 2.535 0.414 6.870 1.00 0.00 O ATOM 1726 CB ILE D 33 0.706 3.050 7.736 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.287 3.808 9.019 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.222 1.847 7.509 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.214 2.843 10.101 1.00 0.00 C ATOM 0 H ILE D 33 2.594 4.619 7.719 1.00 0.00 H new ATOM 0 HA ILE D 33 2.287 2.023 8.794 1.00 0.00 H new ATOM 0 HB ILE D 33 0.626 3.727 6.886 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.135 4.377 9.401 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.497 4.527 8.779 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.252 2.193 7.423 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.066 1.333 6.592 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.140 1.160 8.351 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.500 3.408 10.988 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -1.078 2.293 9.727 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.579 2.141 10.358 1.00 0.00 H new ATOM 1741 N GLY D 34 2.741 2.205 5.527 1.00 0.00 N ATOM 1742 CA GLY D 34 3.069 1.401 4.355 1.00 0.00 C ATOM 1743 C GLY D 34 4.348 0.599 4.582 1.00 0.00 C ATOM 1744 O GLY D 34 4.417 -0.583 4.248 1.00 0.00 O ATOM 0 H GLY D 34 2.717 3.211 5.362 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.245 0.723 4.133 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.191 2.049 3.487 1.00 0.00 H new ATOM 1748 N ILE D 35 5.354 1.247 5.157 1.00 0.00 N ATOM 1749 CA ILE D 35 6.623 0.584 5.430 1.00 0.00 C ATOM 1750 C ILE D 35 6.427 -0.530 6.460 1.00 0.00 C ATOM 1751 O ILE D 35 6.969 -1.628 6.311 1.00 0.00 O ATOM 1752 CB ILE D 35 7.650 1.603 5.940 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.004 2.573 4.805 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.918 0.876 6.397 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.801 3.755 5.367 1.00 0.00 C ATOM 0 H ILE D 35 5.316 2.226 5.442 1.00 0.00 H new ATOM 0 HA ILE D 35 6.995 0.142 4.505 1.00 0.00 H new ATOM 0 HB ILE D 35 7.227 2.154 6.780 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.588 2.058 4.042 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.095 2.931 4.323 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.644 1.604 6.758 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.670 0.182 7.200 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.343 0.324 5.559 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.051 4.442 4.559 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.202 4.276 6.114 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.718 3.389 5.829 1.00 0.00 H new ATOM 1767 N LEU D 36 5.650 -0.241 7.498 1.00 0.00 N ATOM 1768 CA LEU D 36 5.388 -1.223 8.547 1.00 0.00 C ATOM 1769 C LEU D 36 4.682 -2.443 7.966 1.00 0.00 C ATOM 1770 O LEU D 36 4.988 -3.578 8.328 1.00 0.00 O ATOM 1771 CB LEU D 36 4.526 -0.594 9.650 1.00 0.00 C ATOM 1772 CG LEU D 36 4.190 -1.631 10.738 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.478 -2.236 11.318 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.399 -0.942 11.853 1.00 0.00 C ATOM 0 H LEU D 36 5.192 0.660 7.637 1.00 0.00 H new ATOM 0 HA LEU D 36 6.339 -1.540 8.975 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.055 0.249 10.095 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.605 -0.201 9.219 1.00 0.00 H new ATOM 0 HG LEU D 36 3.597 -2.433 10.299 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.223 -2.967 12.085 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.040 -2.726 10.523 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.086 -1.445 11.758 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.156 -1.668 12.629 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.999 -0.139 12.282 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.478 -0.527 11.443 1.00 0.00 H new ATOM 1786 N HIS D 37 3.738 -2.202 7.063 1.00 0.00 N ATOM 1787 CA HIS D 37 3.002 -3.295 6.443 1.00 0.00 C ATOM 1788 C HIS D 37 3.968 -4.231 5.726 1.00 0.00 C ATOM 1789 O HIS D 37 3.827 -5.453 5.790 1.00 0.00 O ATOM 1790 CB HIS D 37 1.987 -2.751 5.439 1.00 0.00 C ATOM 1791 CG HIS D 37 1.211 -3.900 4.856 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.157 -4.032 5.021 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.602 -4.990 4.121 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.531 -5.165 4.401 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.503 -5.786 3.837 1.00 0.00 N ATOM 0 H HIS D 37 3.467 -1.271 6.747 1.00 0.00 H new ATOM 0 HA HIS D 37 2.474 -3.843 7.224 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.311 -2.050 5.929 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.497 -2.201 4.648 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.615 -5.197 3.810 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.548 -5.528 4.365 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.489 -6.659 3.310 1.00 0.00 H new ATOM 1803 N LEU D 38 4.945 -3.648 5.043 1.00 0.00 N ATOM 1804 CA LEU D 38 5.928 -4.437 4.308 1.00 0.00 C ATOM 1805 C LEU D 38 6.720 -5.341 5.247 1.00 0.00 C ATOM 1806 O LEU D 38 7.041 -6.469 4.889 1.00 0.00 O ATOM 1807 CB LEU D 38 6.878 -3.501 3.527 1.00 0.00 C ATOM 1808 CG LEU D 38 6.301 -3.207 2.123 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.885 -1.903 1.578 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.654 -4.353 1.156 1.00 0.00 C ATOM 0 H LEU D 38 5.079 -2.639 4.982 1.00 0.00 H new ATOM 0 HA LEU D 38 5.398 -5.075 3.601 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.014 -2.569 4.075 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.861 -3.963 3.435 1.00 0.00 H new ATOM 0 HG LEU D 38 5.218 -3.117 2.207 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.472 -1.705 0.589 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.630 -1.082 2.248 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.969 -1.991 1.508 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.243 -4.137 0.170 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.737 -4.448 1.085 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.231 -5.286 1.528 1.00 0.00 H new ATOM 1822 N ILE D 39 7.042 -4.851 6.434 1.00 0.00 N ATOM 1823 CA ILE D 39 7.808 -5.656 7.379 1.00 0.00 C ATOM 1824 C ILE D 39 7.025 -6.912 7.765 1.00 0.00 C ATOM 1825 O ILE D 39 7.580 -8.009 7.816 1.00 0.00 O ATOM 1826 CB ILE D 39 8.120 -4.829 8.631 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.084 -3.697 8.256 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.772 -5.720 9.691 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.221 -2.715 9.426 1.00 0.00 C ATOM 0 H ILE D 39 6.792 -3.919 6.764 1.00 0.00 H new ATOM 0 HA ILE D 39 8.742 -5.959 6.907 1.00 0.00 H new ATOM 0 HB ILE D 39 7.196 -4.413 9.032 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.060 -4.109 8.000 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.718 -3.174 7.373 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.992 -5.128 10.579 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.091 -6.530 9.954 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.698 -6.138 9.295 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.908 -1.914 9.151 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.245 -2.291 9.661 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.608 -3.241 10.299 1.00 0.00 H new ATOM 1841 N LEU D 40 5.738 -6.748 8.046 1.00 0.00 N ATOM 1842 CA LEU D 40 4.905 -7.887 8.424 1.00 0.00 C ATOM 1843 C LEU D 40 4.594 -8.779 7.214 1.00 0.00 C ATOM 1844 O LEU D 40 4.685 -10.006 7.294 1.00 0.00 O ATOM 1845 CB LEU D 40 3.603 -7.382 9.051 1.00 0.00 C ATOM 1846 CG LEU D 40 3.926 -6.382 10.170 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.621 -5.857 10.776 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.767 -7.065 11.260 1.00 0.00 C ATOM 0 H LEU D 40 5.252 -5.852 8.021 1.00 0.00 H new ATOM 0 HA LEU D 40 5.454 -8.488 9.149 1.00 0.00 H new ATOM 0 HB2 LEU D 40 2.982 -6.906 8.292 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.031 -8.219 9.451 1.00 0.00 H new ATOM 0 HG LEU D 40 4.495 -5.550 9.755 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.849 -5.147 11.571 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.035 -5.361 10.003 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.050 -6.690 11.186 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.991 -6.348 12.049 1.00 0.00 H new ATOM 0 HD22 LEU D 40 4.209 -7.903 11.679 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.698 -7.430 10.826 1.00 0.00 H new ATOM 1860 N TRP D 41 4.217 -8.154 6.098 1.00 0.00 N ATOM 1861 CA TRP D 41 3.878 -8.896 4.884 1.00 0.00 C ATOM 1862 C TRP D 41 5.098 -9.612 4.305 1.00 0.00 C ATOM 1863 O TRP D 41 5.018 -10.785 3.938 1.00 0.00 O ATOM 1864 CB TRP D 41 3.281 -7.939 3.845 1.00 0.00 C ATOM 1865 CG TRP D 41 3.091 -8.641 2.534 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.017 -9.390 2.193 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.969 -8.638 1.374 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.191 -9.862 0.905 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.377 -9.420 0.358 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.211 -8.038 1.108 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.999 -9.601 -0.874 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.833 -8.215 -0.137 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.228 -8.995 -1.123 1.00 0.00 C ATOM 0 H TRP D 41 4.139 -7.141 6.010 1.00 0.00 H new ATOM 0 HA TRP D 41 3.142 -9.657 5.144 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.325 -7.556 4.201 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.939 -7.080 3.713 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.163 -9.587 2.824 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.525 -10.463 0.420 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.690 -7.437 1.867 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.530 -10.209 -1.634 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.785 -7.745 -0.333 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.713 -9.129 -2.079 1.00 0.00 H new ATOM 1884 N ILE D 42 6.221 -8.909 4.218 1.00 0.00 N ATOM 1885 CA ILE D 42 7.436 -9.508 3.670 1.00 0.00 C ATOM 1886 C ILE D 42 7.910 -10.645 4.570 1.00 0.00 C ATOM 1887 O ILE D 42 8.483 -11.626 4.095 1.00 0.00 O ATOM 1888 CB ILE D 42 8.545 -8.447 3.530 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.654 -8.980 2.610 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.144 -8.110 4.911 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.644 -7.854 2.305 1.00 0.00 C ATOM 0 H ILE D 42 6.318 -7.938 4.514 1.00 0.00 H new ATOM 0 HA ILE D 42 7.211 -9.907 2.681 1.00 0.00 H new ATOM 0 HB ILE D 42 8.113 -7.543 3.101 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.169 -9.813 3.088 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.222 -9.361 1.684 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.926 -7.359 4.795 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.361 -7.721 5.562 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.569 -9.011 5.353 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.432 -8.229 1.652 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.122 -7.035 1.810 1.00 0.00 H new ATOM 0 HD13 ILE D 42 11.084 -7.494 3.235 1.00 0.00 H new ATOM 1903 N LEU D 43 7.669 -10.504 5.870 1.00 0.00 N ATOM 1904 CA LEU D 43 8.080 -11.526 6.822 1.00 0.00 C ATOM 1905 C LEU D 43 7.402 -12.853 6.499 1.00 0.00 C ATOM 1906 O LEU D 43 8.054 -13.898 6.471 1.00 0.00 O ATOM 1907 CB LEU D 43 7.705 -11.086 8.244 1.00 0.00 C ATOM 1908 CG LEU D 43 8.050 -12.184 9.265 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.540 -12.550 9.171 1.00 0.00 C ATOM 1910 CD2 LEU D 43 7.736 -11.667 10.672 1.00 0.00 C ATOM 0 H LEU D 43 7.196 -9.700 6.284 1.00 0.00 H new ATOM 0 HA LEU D 43 9.160 -11.658 6.755 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.236 -10.168 8.497 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.639 -10.862 8.291 1.00 0.00 H new ATOM 0 HG LEU D 43 7.459 -13.075 9.053 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.770 -13.328 9.899 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.763 -12.914 8.168 1.00 0.00 H new ATOM 0 HD13 LEU D 43 10.145 -11.668 9.379 1.00 0.00 H new ATOM 0 HD21 LEU D 43 7.977 -12.437 11.405 1.00 0.00 H new ATOM 0 HD22 LEU D 43 8.331 -10.776 10.873 1.00 0.00 H new ATOM 0 HD23 LEU D 43 6.677 -11.419 10.741 1.00 0.00 H new