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= -2.17! C(o=-2.2!,f=-4.1!) USER MOD Single : A 37 HIS : no HD1:sc= -9.36! C(o=-9.4!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.5) USER MOD Single : B 37 HIS : no HD1:sc= -9.95! C(o=-9.9!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.83 K(o=-1.8,f=-3.4!) 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= -1.08 K(o=-1.1,f=-2.3) USER MOD Single : D 37 HIS : no HD1:sc= -9.92! C(o=-9.9!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.451 12.294 0.828 1.00 0.00 N ATOM 124 CA VAL A 28 -6.141 11.884 2.046 1.00 0.00 C ATOM 125 C VAL A 28 -6.790 10.516 1.856 1.00 0.00 C ATOM 126 O VAL A 28 -6.702 9.649 2.726 1.00 0.00 O ATOM 127 CB VAL A 28 -7.207 12.917 2.417 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.015 12.415 3.618 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.527 14.239 2.778 1.00 0.00 C ATOM 0 HA VAL A 28 -5.411 11.817 2.853 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.876 13.068 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.773 13.153 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.499 11.472 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.348 12.263 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.284 14.977 3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.858 14.085 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.953 14.598 1.924 1.00 0.00 H new ATOM 139 N ALA A 29 -7.446 10.332 0.714 1.00 0.00 N ATOM 140 CA ALA A 29 -8.108 9.068 0.424 1.00 0.00 C ATOM 141 C ALA A 29 -7.093 7.933 0.364 1.00 0.00 C ATOM 142 O ALA A 29 -7.354 6.831 0.838 1.00 0.00 O ATOM 143 CB ALA A 29 -8.850 9.160 -0.912 1.00 0.00 C ATOM 0 H ALA A 29 -7.532 11.036 -0.019 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.821 8.863 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.342 8.210 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.597 9.952 -0.860 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.140 9.383 -1.708 1.00 0.00 H new ATOM 149 N ALA A 30 -5.934 8.209 -0.220 1.00 0.00 N ATOM 150 CA ALA A 30 -4.895 7.193 -0.333 1.00 0.00 C ATOM 151 C ALA A 30 -4.522 6.654 1.045 1.00 0.00 C ATOM 152 O ALA A 30 -4.439 5.443 1.244 1.00 0.00 O ATOM 153 CB ALA A 30 -3.656 7.788 -1.009 1.00 0.00 C ATOM 0 H ALA A 30 -5.691 9.116 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.277 6.371 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.883 7.023 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.920 8.144 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.281 8.621 -0.414 1.00 0.00 H new ATOM 159 N ASN A 31 -4.301 7.559 1.992 1.00 0.00 N ATOM 160 CA ASN A 31 -3.940 7.157 3.346 1.00 0.00 C ATOM 161 C ASN A 31 -5.079 6.380 4.004 1.00 0.00 C ATOM 162 O ASN A 31 -4.848 5.380 4.684 1.00 0.00 O ATOM 163 CB ASN A 31 -3.613 8.393 4.186 1.00 0.00 C ATOM 164 CG ASN A 31 -3.232 7.974 5.602 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.585 6.943 5.793 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.599 8.714 6.612 1.00 0.00 N ATOM 0 H ASN A 31 -4.365 8.567 1.849 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.064 6.511 3.289 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.793 8.947 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.473 9.062 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.350 8.439 7.562 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.135 9.567 6.451 1.00 0.00 H new ATOM 173 N ILE A 32 -6.307 6.849 3.803 1.00 0.00 N ATOM 174 CA ILE A 32 -7.474 6.192 4.389 1.00 0.00 C ATOM 175 C ILE A 32 -7.647 4.787 3.816 1.00 0.00 C ATOM 176 O ILE A 32 -7.912 3.835 4.550 1.00 0.00 O ATOM 177 CB ILE A 32 -8.733 7.021 4.111 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.648 8.344 4.876 1.00 0.00 C ATOM 179 CG2 ILE A 32 -9.973 6.248 4.574 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.753 9.286 4.390 1.00 0.00 C ATOM 0 H ILE A 32 -6.521 7.675 3.244 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.321 6.113 5.465 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.807 7.218 3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.752 8.165 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.671 8.803 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.866 6.840 4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.036 5.304 4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.900 6.050 5.643 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.693 10.228 4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.628 9.474 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.726 8.827 4.566 1.00 0.00 H new ATOM 192 N ILE A 33 -7.493 4.665 2.502 1.00 0.00 N ATOM 193 CA ILE A 33 -7.640 3.373 1.839 1.00 0.00 C ATOM 194 C ILE A 33 -6.589 2.392 2.349 1.00 0.00 C ATOM 195 O ILE A 33 -6.893 1.228 2.611 1.00 0.00 O ATOM 196 CB ILE A 33 -7.505 3.553 0.324 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.713 4.327 -0.212 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.447 2.184 -0.356 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.412 4.820 -1.629 1.00 0.00 C ATOM 0 H ILE A 33 -7.268 5.439 1.878 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.627 2.969 2.065 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.590 4.106 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.596 3.687 -0.217 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.936 5.172 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.351 2.317 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.588 1.628 0.019 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.361 1.631 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.271 5.371 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.540 5.474 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.210 3.966 -2.276 1.00 0.00 H new ATOM 211 N GLY A 34 -5.356 2.862 2.488 1.00 0.00 N ATOM 212 CA GLY A 34 -4.279 2.004 2.969 1.00 0.00 C ATOM 213 C GLY A 34 -4.602 1.448 4.355 1.00 0.00 C ATOM 214 O GLY A 34 -4.358 0.273 4.633 1.00 0.00 O ATOM 0 H GLY A 34 -5.078 3.821 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.124 1.182 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.348 2.569 3.008 1.00 0.00 H new ATOM 218 N ILE A 35 -5.149 2.297 5.223 1.00 0.00 N ATOM 219 CA ILE A 35 -5.500 1.874 6.577 1.00 0.00 C ATOM 220 C ILE A 35 -6.594 0.801 6.542 1.00 0.00 C ATOM 221 O ILE A 35 -6.515 -0.205 7.253 1.00 0.00 O ATOM 222 CB ILE A 35 -5.982 3.079 7.391 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.809 4.041 7.613 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.513 2.611 8.748 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.329 5.365 8.175 1.00 0.00 C ATOM 0 H ILE A 35 -5.357 3.274 5.015 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.613 1.451 7.048 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.779 3.585 6.847 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.089 3.600 8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.285 4.214 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.854 3.473 9.322 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.345 1.924 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.718 2.103 9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.493 6.047 8.332 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.032 5.809 7.470 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.833 5.184 9.124 1.00 0.00 H new ATOM 237 N LEU A 36 -7.610 1.021 5.711 1.00 0.00 N ATOM 238 CA LEU A 36 -8.711 0.065 5.592 1.00 0.00 C ATOM 239 C LEU A 36 -8.199 -1.273 5.062 1.00 0.00 C ATOM 240 O LEU A 36 -8.622 -2.334 5.521 1.00 0.00 O ATOM 241 CB LEU A 36 -9.814 0.618 4.660 1.00 0.00 C ATOM 242 CG LEU A 36 -10.847 1.450 5.443 1.00 0.00 C ATOM 243 CD1 LEU A 36 -10.238 2.771 5.926 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.033 1.756 4.524 1.00 0.00 C ATOM 0 H LEU A 36 -7.695 1.844 5.115 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.138 -0.089 6.583 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.361 1.235 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.316 -0.209 4.158 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.169 0.878 6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.989 3.338 6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.390 2.564 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.901 3.352 5.067 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.772 2.345 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.686 2.319 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.487 0.822 4.192 1.00 0.00 H new ATOM 256 N HIS A 37 -7.287 -1.220 4.098 1.00 0.00 N ATOM 257 CA HIS A 37 -6.739 -2.442 3.526 1.00 0.00 C ATOM 258 C HIS A 37 -6.080 -3.278 4.615 1.00 0.00 C ATOM 259 O HIS A 37 -6.227 -4.501 4.647 1.00 0.00 O ATOM 260 CB HIS A 37 -5.701 -2.105 2.457 1.00 0.00 C ATOM 261 CG HIS A 37 -5.181 -3.383 1.862 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.363 -3.704 0.529 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.502 -4.440 2.412 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.805 -4.911 0.327 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.265 -5.402 1.440 1.00 0.00 N ATOM 0 H HIS A 37 -6.916 -0.357 3.701 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.554 -3.008 3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.147 -1.483 1.681 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.883 -1.532 2.894 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.198 -4.513 3.446 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.796 -5.421 -0.625 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.781 -6.293 1.554 1.00 0.00 H new ATOM 273 N LEU A 38 -5.355 -2.614 5.509 1.00 0.00 N ATOM 274 CA LEU A 38 -4.674 -3.307 6.597 1.00 0.00 C ATOM 275 C LEU A 38 -5.669 -4.027 7.495 1.00 0.00 C ATOM 276 O LEU A 38 -5.394 -5.128 7.966 1.00 0.00 O ATOM 277 CB LEU A 38 -3.835 -2.307 7.428 1.00 0.00 C ATOM 278 CG LEU A 38 -2.405 -2.199 6.858 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.756 -0.887 7.307 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.550 -3.376 7.363 1.00 0.00 C ATOM 0 H LEU A 38 -5.224 -1.602 5.502 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.009 -4.052 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.312 -1.327 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.795 -2.632 8.468 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.463 -2.224 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.747 -0.822 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.348 -0.046 6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.709 -0.858 8.396 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.542 -3.294 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.506 -3.353 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.996 -4.316 7.038 1.00 0.00 H new ATOM 292 N ILE A 39 -6.812 -3.409 7.749 1.00 0.00 N ATOM 293 CA ILE A 39 -7.805 -4.029 8.615 1.00 0.00 C ATOM 294 C ILE A 39 -8.285 -5.348 8.009 1.00 0.00 C ATOM 295 O ILE A 39 -8.398 -6.356 8.703 1.00 0.00 O ATOM 296 CB ILE A 39 -8.993 -3.084 8.797 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.521 -1.829 9.538 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.076 -3.779 9.628 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.632 -0.773 9.543 1.00 0.00 C ATOM 0 H ILE A 39 -7.073 -2.496 7.377 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.350 -4.230 9.585 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.399 -2.813 7.823 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.245 -2.083 10.561 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.629 -1.427 9.058 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.923 -3.106 9.758 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.406 -4.682 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.671 -4.045 10.604 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.287 0.115 10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.887 -0.508 8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.513 -1.174 10.044 1.00 0.00 H new ATOM 311 N LEU A 40 -8.564 -5.345 6.711 1.00 0.00 N ATOM 312 CA LEU A 40 -9.017 -6.563 6.046 1.00 0.00 C ATOM 313 C LEU A 40 -7.864 -7.559 5.869 1.00 0.00 C ATOM 314 O LEU A 40 -8.037 -8.760 6.077 1.00 0.00 O ATOM 315 CB LEU A 40 -9.633 -6.213 4.678 1.00 0.00 C ATOM 316 CG LEU A 40 -11.092 -5.776 4.858 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.152 -4.522 5.729 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.702 -5.474 3.488 1.00 0.00 C ATOM 0 H LEU A 40 -8.487 -4.528 6.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.774 -7.034 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.061 -5.414 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.582 -7.077 4.015 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.652 -6.576 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.190 -4.215 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.717 -4.736 6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.592 -3.719 5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.739 -5.163 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.139 -4.674 3.007 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.663 -6.369 2.867 1.00 0.00 H new ATOM 330 N TRP A 41 -6.700 -7.055 5.464 1.00 0.00 N ATOM 331 CA TRP A 41 -5.536 -7.915 5.241 1.00 0.00 C ATOM 332 C TRP A 41 -5.007 -8.515 6.545 1.00 0.00 C ATOM 333 O TRP A 41 -4.702 -9.706 6.603 1.00 0.00 O ATOM 334 CB TRP A 41 -4.431 -7.116 4.540 1.00 0.00 C ATOM 335 CG TRP A 41 -3.182 -7.938 4.448 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.910 -8.843 3.479 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.024 -7.922 5.327 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.668 -9.397 3.721 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.081 -8.854 4.846 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.707 -7.195 6.486 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.138 -9.055 5.495 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.480 -7.392 7.135 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.438 -8.321 6.640 1.00 0.00 C ATOM 0 H TRP A 41 -6.537 -6.064 5.284 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.850 -8.744 4.607 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.759 -6.825 3.542 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.231 -6.197 5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.558 -9.091 2.652 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.238 -10.117 3.141 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.413 -6.479 6.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.845 -9.776 5.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.244 -6.823 8.022 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.381 -8.470 7.145 1.00 0.00 H new ATOM 354 N ILE A 42 -4.886 -7.692 7.577 1.00 0.00 N ATOM 355 CA ILE A 42 -4.372 -8.167 8.858 1.00 0.00 C ATOM 356 C ILE A 42 -5.309 -9.219 9.447 1.00 0.00 C ATOM 357 O ILE A 42 -4.863 -10.208 10.026 1.00 0.00 O ATOM 358 CB ILE A 42 -4.221 -6.991 9.835 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.361 -7.412 11.028 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.597 -6.546 10.344 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.061 -6.179 11.882 1.00 0.00 C ATOM 0 H ILE A 42 -5.133 -6.703 7.556 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.394 -8.620 8.696 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.743 -6.164 9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.881 -8.164 11.621 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.432 -7.866 10.682 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.477 -5.712 11.036 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.213 -6.233 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.081 -7.377 10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.448 -6.468 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.525 -5.443 11.283 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.996 -5.746 12.237 1.00 0.00 H new ATOM 373 N LEU A 43 -6.612 -8.995 9.292 1.00 0.00 N ATOM 374 CA LEU A 43 -7.604 -9.930 9.810 1.00 0.00 C ATOM 375 C LEU A 43 -7.447 -11.298 9.145 1.00 0.00 C ATOM 376 O LEU A 43 -7.540 -12.329 9.810 1.00 0.00 O ATOM 377 CB LEU A 43 -9.019 -9.387 9.556 1.00 0.00 C ATOM 378 CG LEU A 43 -9.374 -8.308 10.598 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.634 -7.556 10.144 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.636 -8.953 11.979 1.00 0.00 C ATOM 0 H LEU A 43 -7.002 -8.181 8.816 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.449 -10.042 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.080 -8.966 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.742 -10.201 9.605 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.536 -7.616 10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.887 -6.792 10.880 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.448 -7.083 9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.463 -8.258 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.885 -8.176 12.702 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.466 -9.656 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.742 -9.482 12.309 1.00 0.00 H new ATOM 633 N VAL B 28 0.116 11.379 -7.226 1.00 0.00 N ATOM 634 CA VAL B 28 -1.148 10.978 -7.829 1.00 0.00 C ATOM 635 C VAL B 28 -1.091 9.521 -8.276 1.00 0.00 C ATOM 636 O VAL B 28 -2.027 8.754 -8.050 1.00 0.00 O ATOM 637 CB VAL B 28 -1.460 11.874 -9.032 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.719 11.367 -9.740 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.692 13.307 -8.547 1.00 0.00 C ATOM 0 HA VAL B 28 -1.936 11.085 -7.083 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.622 11.852 -9.728 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.938 12.006 -10.595 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.557 10.345 -10.083 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.560 11.388 -9.047 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.914 13.948 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.531 13.324 -7.851 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.796 13.670 -8.044 1.00 0.00 H new ATOM 649 N ALA B 29 0.014 9.146 -8.912 1.00 0.00 N ATOM 650 CA ALA B 29 0.180 7.778 -9.388 1.00 0.00 C ATOM 651 C ALA B 29 0.172 6.802 -8.220 1.00 0.00 C ATOM 652 O ALA B 29 -0.400 5.719 -8.309 1.00 0.00 O ATOM 653 CB ALA B 29 1.499 7.646 -10.153 1.00 0.00 C ATOM 0 H ALA B 29 0.801 9.764 -9.108 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.651 7.542 -10.053 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.615 6.621 -10.505 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.494 8.324 -11.006 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.329 7.899 -9.493 1.00 0.00 H new ATOM 659 N ALA B 30 0.807 7.191 -7.120 1.00 0.00 N ATOM 660 CA ALA B 30 0.862 6.331 -5.945 1.00 0.00 C ATOM 661 C ALA B 30 -0.545 5.972 -5.478 1.00 0.00 C ATOM 662 O ALA B 30 -0.843 4.807 -5.216 1.00 0.00 O ATOM 663 CB ALA B 30 1.617 7.036 -4.818 1.00 0.00 C ATOM 0 H ALA B 30 1.286 8.086 -7.018 1.00 0.00 H new ATOM 0 HA ALA B 30 1.386 5.413 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.654 6.387 -3.943 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.632 7.262 -5.145 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.104 7.963 -4.561 1.00 0.00 H new ATOM 669 N ASN B 31 -1.407 6.978 -5.379 1.00 0.00 N ATOM 670 CA ASN B 31 -2.780 6.750 -4.944 1.00 0.00 C ATOM 671 C ASN B 31 -3.531 5.877 -5.946 1.00 0.00 C ATOM 672 O ASN B 31 -4.286 4.984 -5.561 1.00 0.00 O ATOM 673 CB ASN B 31 -3.505 8.087 -4.786 1.00 0.00 C ATOM 674 CG ASN B 31 -4.941 7.851 -4.331 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.201 6.945 -3.539 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.893 8.618 -4.786 1.00 0.00 N ATOM 0 H ASN B 31 -1.183 7.950 -5.592 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.752 6.233 -3.985 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -2.982 8.710 -4.060 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.499 8.627 -5.733 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.856 8.468 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.674 9.368 -5.442 1.00 0.00 H new ATOM 683 N ILE B 32 -3.323 6.143 -7.234 1.00 0.00 N ATOM 684 CA ILE B 32 -3.992 5.378 -8.283 1.00 0.00 C ATOM 685 C ILE B 32 -3.544 3.917 -8.255 1.00 0.00 C ATOM 686 O ILE B 32 -4.361 3.006 -8.368 1.00 0.00 O ATOM 687 CB ILE B 32 -3.680 5.988 -9.654 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.329 7.372 -9.753 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.238 5.089 -10.760 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.797 8.098 -10.991 1.00 0.00 C ATOM 0 H ILE B 32 -2.701 6.877 -7.574 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.067 5.416 -8.105 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.600 6.077 -9.771 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.413 7.274 -9.814 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.111 7.952 -8.856 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.014 5.527 -11.733 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.780 4.102 -10.692 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.318 4.997 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.259 9.083 -11.062 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.716 8.209 -10.911 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.037 7.520 -11.883 1.00 0.00 H new ATOM 702 N ILE B 33 -2.242 3.706 -8.105 1.00 0.00 N ATOM 703 CA ILE B 33 -1.694 2.352 -8.069 1.00 0.00 C ATOM 704 C ILE B 33 -2.256 1.582 -6.879 1.00 0.00 C ATOM 705 O ILE B 33 -2.622 0.413 -7.005 1.00 0.00 O ATOM 706 CB ILE B 33 -0.165 2.417 -7.982 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.402 2.961 -9.298 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.399 1.018 -7.734 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.862 3.368 -9.092 1.00 0.00 C ATOM 0 H ILE B 33 -1.549 4.448 -8.007 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.979 1.830 -8.982 1.00 0.00 H new ATOM 0 HB ILE B 33 0.117 3.075 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.331 2.203 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.182 3.818 -9.632 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.486 1.070 -7.673 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.001 0.626 -6.798 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.112 0.360 -8.554 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.267 3.755 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.920 4.140 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.441 2.500 -8.778 1.00 0.00 H new ATOM 721 N GLY B 34 -2.324 2.238 -5.727 1.00 0.00 N ATOM 722 CA GLY B 34 -2.847 1.590 -4.529 1.00 0.00 C ATOM 723 C GLY B 34 -4.282 1.115 -4.749 1.00 0.00 C ATOM 724 O GLY B 34 -4.649 0.016 -4.333 1.00 0.00 O ATOM 0 H GLY B 34 -2.028 3.205 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.215 0.742 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.814 2.286 -3.691 1.00 0.00 H new ATOM 728 N ILE B 35 -5.089 1.947 -5.403 1.00 0.00 N ATOM 729 CA ILE B 35 -6.482 1.596 -5.670 1.00 0.00 C ATOM 730 C ILE B 35 -6.567 0.378 -6.595 1.00 0.00 C ATOM 731 O ILE B 35 -7.355 -0.541 -6.359 1.00 0.00 O ATOM 732 CB ILE B 35 -7.205 2.786 -6.311 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.317 3.922 -5.289 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.611 2.363 -6.750 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.780 5.200 -5.988 1.00 0.00 C ATOM 0 H ILE B 35 -4.806 2.861 -5.755 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.962 1.346 -4.724 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.640 3.124 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.022 3.650 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.353 4.088 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.121 3.212 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.537 1.553 -7.475 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.176 2.023 -5.882 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.859 6.006 -5.258 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.058 5.476 -6.757 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.754 5.031 -6.448 1.00 0.00 H new ATOM 747 N LEU B 36 -5.746 0.375 -7.645 1.00 0.00 N ATOM 748 CA LEU B 36 -5.737 -0.736 -8.595 1.00 0.00 C ATOM 749 C LEU B 36 -5.307 -2.027 -7.898 1.00 0.00 C ATOM 750 O LEU B 36 -5.865 -3.092 -8.157 1.00 0.00 O ATOM 751 CB LEU B 36 -4.791 -0.431 -9.779 1.00 0.00 C ATOM 752 CG LEU B 36 -5.530 0.310 -10.912 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.884 1.739 -10.495 1.00 0.00 C ATOM 754 CD2 LEU B 36 -4.621 0.357 -12.142 1.00 0.00 C ATOM 0 H LEU B 36 -5.085 1.122 -7.858 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.748 -0.865 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.954 0.174 -9.431 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -4.374 -1.362 -10.163 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.455 -0.222 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.404 2.238 -11.312 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.529 1.713 -9.617 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.971 2.286 -10.258 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.131 0.879 -12.952 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.700 0.885 -11.894 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -4.383 -0.659 -12.458 1.00 0.00 H new ATOM 766 N HIS B 37 -4.318 -1.927 -7.020 1.00 0.00 N ATOM 767 CA HIS B 37 -3.837 -3.100 -6.305 1.00 0.00 C ATOM 768 C HIS B 37 -4.975 -3.736 -5.518 1.00 0.00 C ATOM 769 O HIS B 37 -5.111 -4.959 -5.484 1.00 0.00 O ATOM 770 CB HIS B 37 -2.718 -2.710 -5.343 1.00 0.00 C ATOM 771 CG HIS B 37 -2.219 -3.946 -4.646 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.922 -4.399 -4.788 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.839 -4.842 -3.814 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.804 -5.523 -4.063 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.944 -5.836 -3.447 1.00 0.00 N ATOM 0 H HIS B 37 -3.839 -1.057 -6.788 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.454 -3.815 -7.033 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.904 -2.230 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.084 -1.988 -4.613 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.868 -4.783 -3.493 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.104 -6.103 -3.988 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.120 -6.634 -2.837 1.00 0.00 H new ATOM 783 N LEU B 38 -5.789 -2.898 -4.885 1.00 0.00 N ATOM 784 CA LEU B 38 -6.915 -3.389 -4.095 1.00 0.00 C ATOM 785 C LEU B 38 -7.894 -4.165 -4.963 1.00 0.00 C ATOM 786 O LEU B 38 -8.449 -5.169 -4.523 1.00 0.00 O ATOM 787 CB LEU B 38 -7.635 -2.211 -3.400 1.00 0.00 C ATOM 788 CG LEU B 38 -7.018 -1.948 -2.010 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.341 -0.526 -1.553 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.591 -2.945 -0.985 1.00 0.00 C ATOM 0 H LEU B 38 -5.693 -1.883 -4.902 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.526 -4.065 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.557 -1.315 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.697 -2.435 -3.297 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.937 -2.072 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.901 -0.351 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.931 0.188 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.422 -0.399 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.151 -2.754 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.673 -2.825 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.355 -3.963 -1.296 1.00 0.00 H new ATOM 802 N ILE B 39 -8.124 -3.700 -6.180 1.00 0.00 N ATOM 803 CA ILE B 39 -9.067 -4.378 -7.058 1.00 0.00 C ATOM 804 C ILE B 39 -8.585 -5.801 -7.347 1.00 0.00 C ATOM 805 O ILE B 39 -9.361 -6.752 -7.302 1.00 0.00 O ATOM 806 CB ILE B 39 -9.199 -3.605 -8.369 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.822 -2.234 -8.077 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.115 -4.375 -9.326 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.768 -1.354 -9.331 1.00 0.00 C ATOM 0 H ILE B 39 -7.681 -2.872 -6.578 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.038 -4.424 -6.566 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.216 -3.482 -8.823 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.856 -2.357 -7.754 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.288 -1.750 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.210 -3.824 -10.262 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.689 -5.358 -9.526 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.099 -4.492 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.213 -0.383 -9.113 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.730 -1.218 -9.636 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.323 -1.835 -10.137 1.00 0.00 H new ATOM 821 N LEU B 40 -7.300 -5.950 -7.643 1.00 0.00 N ATOM 822 CA LEU B 40 -6.749 -7.273 -7.922 1.00 0.00 C ATOM 823 C LEU B 40 -6.626 -8.104 -6.637 1.00 0.00 C ATOM 824 O LEU B 40 -6.939 -9.295 -6.627 1.00 0.00 O ATOM 825 CB LEU B 40 -5.373 -7.138 -8.600 1.00 0.00 C ATOM 826 CG LEU B 40 -5.555 -6.903 -10.104 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.321 -5.600 -10.336 1.00 0.00 C ATOM 828 CD2 LEU B 40 -4.182 -6.810 -10.772 1.00 0.00 C ATOM 0 H LEU B 40 -6.627 -5.185 -7.696 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.432 -7.791 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.819 -6.310 -8.158 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.785 -8.040 -8.432 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.118 -7.732 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.447 -5.438 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.300 -5.664 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.763 -4.768 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.308 -6.643 -11.842 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.622 -5.981 -10.339 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.636 -7.740 -10.612 1.00 0.00 H new ATOM 840 N TRP B 41 -6.150 -7.473 -5.564 1.00 0.00 N ATOM 841 CA TRP B 41 -5.969 -8.172 -4.289 1.00 0.00 C ATOM 842 C TRP B 41 -7.304 -8.575 -3.663 1.00 0.00 C ATOM 843 O TRP B 41 -7.454 -9.698 -3.184 1.00 0.00 O ATOM 844 CB TRP B 41 -5.177 -7.283 -3.323 1.00 0.00 C ATOM 845 CG TRP B 41 -5.123 -7.920 -1.968 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.223 -8.853 -1.577 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.968 -7.661 -0.814 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.481 -9.198 -0.264 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.542 -8.483 0.251 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.053 -6.798 -0.592 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.174 -8.450 1.492 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.687 -6.760 0.659 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.247 -7.586 1.696 1.00 0.00 C ATOM 0 H TRP B 41 -5.884 -6.488 -5.550 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.414 -9.089 -4.485 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.167 -7.130 -3.702 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.644 -6.301 -3.254 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.433 -9.261 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -3.952 -9.895 0.260 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.402 -6.159 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.834 -9.091 2.292 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.518 -6.090 0.821 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.739 -7.555 2.657 1.00 0.00 H new ATOM 864 N ILE B 42 -8.262 -7.655 -3.648 1.00 0.00 N ATOM 865 CA ILE B 42 -9.565 -7.941 -3.053 1.00 0.00 C ATOM 866 C ILE B 42 -10.263 -9.062 -3.819 1.00 0.00 C ATOM 867 O ILE B 42 -10.911 -9.922 -3.224 1.00 0.00 O ATOM 868 CB ILE B 42 -10.435 -6.673 -3.063 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.637 -6.862 -2.133 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.944 -6.392 -4.483 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.377 -5.530 -2.005 1.00 0.00 C ATOM 0 H ILE B 42 -8.165 -6.716 -4.035 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.418 -8.263 -2.022 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.830 -5.833 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.304 -7.627 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.305 -7.205 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.559 -5.492 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.095 -6.248 -5.152 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.540 -7.236 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.235 -5.653 -1.345 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.705 -4.779 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.719 -5.208 -2.989 1.00 0.00 H new ATOM 883 N LEU B 43 -10.123 -9.043 -5.142 1.00 0.00 N ATOM 884 CA LEU B 43 -10.744 -10.064 -5.979 1.00 0.00 C ATOM 885 C LEU B 43 -10.192 -11.446 -5.633 1.00 0.00 C ATOM 886 O LEU B 43 -10.942 -12.419 -5.563 1.00 0.00 O ATOM 887 CB LEU B 43 -10.483 -9.755 -7.461 1.00 0.00 C ATOM 888 CG LEU B 43 -11.440 -8.652 -7.955 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.960 -8.135 -9.319 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.876 -9.207 -8.099 1.00 0.00 C ATOM 0 H LEU B 43 -9.590 -8.339 -5.653 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.818 -10.060 -5.794 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.449 -9.436 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.619 -10.657 -8.057 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.445 -7.840 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.635 -7.355 -9.671 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.954 -7.727 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.949 -8.956 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.539 -8.415 -8.449 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.879 -10.026 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.224 -9.571 -7.132 1.00 0.00 H new ATOM 1143 N VAL C 28 8.030 10.674 -1.658 1.00 0.00 N ATOM 1144 CA VAL C 28 8.593 10.035 -2.842 1.00 0.00 C ATOM 1145 C VAL C 28 8.920 8.573 -2.556 1.00 0.00 C ATOM 1146 O VAL C 28 8.628 7.691 -3.365 1.00 0.00 O ATOM 1147 CB VAL C 28 9.861 10.773 -3.282 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.519 10.022 -4.442 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.492 12.186 -3.737 1.00 0.00 C ATOM 0 HA VAL C 28 7.855 10.078 -3.643 1.00 0.00 H new ATOM 0 HB VAL C 28 10.557 10.826 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.421 10.550 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL C 28 10.781 9.014 -4.121 1.00 0.00 H new ATOM 0 HG13 VAL C 28 9.824 9.967 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.392 12.714 -4.051 1.00 0.00 H new ATOM 0 HG22 VAL C 28 8.795 12.129 -4.573 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.025 12.724 -2.912 1.00 0.00 H new ATOM 1159 N ALA C 29 9.530 8.323 -1.402 1.00 0.00 N ATOM 1160 CA ALA C 29 9.894 6.964 -1.023 1.00 0.00 C ATOM 1161 C ALA C 29 8.650 6.096 -0.887 1.00 0.00 C ATOM 1162 O ALA C 29 8.649 4.932 -1.283 1.00 0.00 O ATOM 1163 CB ALA C 29 10.654 6.975 0.307 1.00 0.00 C ATOM 0 H ALA C 29 9.781 9.038 -0.719 1.00 0.00 H new ATOM 0 HA ALA C 29 10.532 6.550 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA C 29 10.922 5.955 0.582 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.560 7.572 0.203 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.022 7.406 1.084 1.00 0.00 H new ATOM 1169 N ALA C 30 7.590 6.665 -0.330 1.00 0.00 N ATOM 1170 CA ALA C 30 6.351 5.922 -0.150 1.00 0.00 C ATOM 1171 C ALA C 30 5.849 5.388 -1.487 1.00 0.00 C ATOM 1172 O ALA C 30 5.491 4.217 -1.603 1.00 0.00 O ATOM 1173 CB ALA C 30 5.287 6.826 0.479 1.00 0.00 C ATOM 0 H ALA C 30 7.562 7.629 0.002 1.00 0.00 H new ATOM 0 HA ALA C 30 6.545 5.079 0.513 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.363 6.263 0.611 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.637 7.180 1.449 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.102 7.679 -0.174 1.00 0.00 H new ATOM 1179 N ASN C 31 5.825 6.252 -2.496 1.00 0.00 N ATOM 1180 CA ASN C 31 5.364 5.851 -3.820 1.00 0.00 C ATOM 1181 C ASN C 31 6.291 4.794 -4.421 1.00 0.00 C ATOM 1182 O ASN C 31 5.832 3.828 -5.030 1.00 0.00 O ATOM 1183 CB ASN C 31 5.312 7.067 -4.745 1.00 0.00 C ATOM 1184 CG ASN C 31 4.830 6.649 -6.130 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.967 5.781 -6.251 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.340 7.218 -7.188 1.00 0.00 N ATOM 0 H ASN C 31 6.117 7.227 -2.424 1.00 0.00 H new ATOM 0 HA ASN C 31 4.366 5.425 -3.719 1.00 0.00 H new ATOM 0 HB2 ASN C 31 4.643 7.821 -4.330 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.300 7.522 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.023 6.943 -8.118 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.056 7.938 -7.085 1.00 0.00 H new ATOM 1193 N ILE C 32 7.597 4.986 -4.248 1.00 0.00 N ATOM 1194 CA ILE C 32 8.577 4.045 -4.783 1.00 0.00 C ATOM 1195 C ILE C 32 8.435 2.678 -4.114 1.00 0.00 C ATOM 1196 O ILE C 32 8.469 1.646 -4.780 1.00 0.00 O ATOM 1197 CB ILE C 32 9.994 4.584 -4.560 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.199 5.837 -5.415 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.022 3.524 -4.965 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.495 6.535 -4.994 1.00 0.00 C ATOM 0 H ILE C 32 7.998 5.778 -3.746 1.00 0.00 H new ATOM 0 HA ILE C 32 8.396 3.930 -5.852 1.00 0.00 H new ATOM 0 HB ILE C 32 10.124 4.829 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.245 5.567 -6.470 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.353 6.514 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.028 3.912 -4.804 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.878 2.628 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.893 3.276 -6.018 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.642 7.427 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.431 6.818 -3.943 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.336 5.857 -5.136 1.00 0.00 H new ATOM 1212 N ILE C 33 8.276 2.684 -2.796 1.00 0.00 N ATOM 1213 CA ILE C 33 8.135 1.440 -2.044 1.00 0.00 C ATOM 1214 C ILE C 33 6.883 0.688 -2.488 1.00 0.00 C ATOM 1215 O ILE C 33 6.912 -0.530 -2.667 1.00 0.00 O ATOM 1216 CB ILE C 33 8.063 1.748 -0.545 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.423 2.262 -0.060 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.704 0.477 0.228 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.260 2.905 1.319 1.00 0.00 C ATOM 0 H ILE C 33 8.241 3.530 -2.227 1.00 0.00 H new ATOM 0 HA ILE C 33 9.003 0.809 -2.238 1.00 0.00 H new ATOM 0 HB ILE C 33 7.300 2.507 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.137 1.440 -0.008 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.823 2.988 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.654 0.701 1.294 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.737 0.106 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.465 -0.283 0.052 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.226 3.271 1.666 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.559 3.737 1.252 1.00 0.00 H new ATOM 0 HD13 ILE C 33 8.878 2.165 2.023 1.00 0.00 H new ATOM 1231 N GLY C 34 5.787 1.415 -2.664 1.00 0.00 N ATOM 1232 CA GLY C 34 4.538 0.792 -3.089 1.00 0.00 C ATOM 1233 C GLY C 34 4.709 0.086 -4.430 1.00 0.00 C ATOM 1234 O GLY C 34 4.203 -1.020 -4.627 1.00 0.00 O ATOM 0 H GLY C 34 5.736 2.424 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.210 0.076 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.758 1.549 -3.169 1.00 0.00 H new ATOM 1238 N ILE C 35 5.423 0.727 -5.353 1.00 0.00 N ATOM 1239 CA ILE C 35 5.651 0.144 -6.674 1.00 0.00 C ATOM 1240 C ILE C 35 6.476 -1.142 -6.564 1.00 0.00 C ATOM 1241 O ILE C 35 6.162 -2.149 -7.202 1.00 0.00 O ATOM 1242 CB ILE C 35 6.381 1.153 -7.568 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.451 2.336 -7.859 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.775 0.485 -8.888 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.249 3.468 -8.512 1.00 0.00 C ATOM 0 H ILE C 35 5.851 1.642 -5.213 1.00 0.00 H new ATOM 0 HA ILE C 35 4.685 -0.101 -7.115 1.00 0.00 H new ATOM 0 HB ILE C 35 7.278 1.504 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.641 2.022 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.992 2.687 -6.935 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.293 1.206 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.433 -0.360 -8.686 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.879 0.133 -9.399 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.586 4.308 -8.718 1.00 0.00 H new ATOM 0 HD12 ILE C 35 7.043 3.789 -7.838 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.686 3.113 -9.445 1.00 0.00 H new ATOM 1257 N LEU C 36 7.527 -1.101 -5.745 1.00 0.00 N ATOM 1258 CA LEU C 36 8.384 -2.271 -5.558 1.00 0.00 C ATOM 1259 C LEU C 36 7.591 -3.419 -4.937 1.00 0.00 C ATOM 1260 O LEU C 36 7.757 -4.576 -5.320 1.00 0.00 O ATOM 1261 CB LEU C 36 9.595 -1.918 -4.664 1.00 0.00 C ATOM 1262 CG LEU C 36 10.779 -1.395 -5.501 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.476 -0.008 -6.073 1.00 0.00 C ATOM 1264 CD2 LEU C 36 12.016 -1.307 -4.604 1.00 0.00 C ATOM 0 H LEU C 36 7.803 -0.280 -5.206 1.00 0.00 H new ATOM 0 HA LEU C 36 8.751 -2.586 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.302 -1.163 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.905 -2.800 -4.104 1.00 0.00 H new ATOM 0 HG LEU C 36 10.952 -2.081 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.327 0.338 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.594 -0.062 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU C 36 10.290 0.690 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.861 -0.938 -5.185 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.818 -0.625 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU C 36 12.251 -2.296 -4.210 1.00 0.00 H new ATOM 1276 N HIS C 37 6.727 -3.097 -3.982 1.00 0.00 N ATOM 1277 CA HIS C 37 5.924 -4.120 -3.326 1.00 0.00 C ATOM 1278 C HIS C 37 5.081 -4.859 -4.357 1.00 0.00 C ATOM 1279 O HIS C 37 4.947 -6.083 -4.303 1.00 0.00 O ATOM 1280 CB HIS C 37 5.002 -3.485 -2.287 1.00 0.00 C ATOM 1281 CG HIS C 37 4.216 -4.569 -1.607 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.332 -4.829 -0.255 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.309 -5.480 -2.085 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.520 -5.860 0.030 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.871 -6.294 -1.050 1.00 0.00 N ATOM 0 H HIS C 37 6.566 -2.147 -3.648 1.00 0.00 H new ATOM 0 HA HIS C 37 6.595 -4.821 -2.831 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.586 -2.927 -1.555 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.328 -2.774 -2.765 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.984 -5.553 -3.112 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.407 -6.286 1.016 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.198 -7.059 -1.104 1.00 0.00 H new ATOM 1293 N LEU C 38 4.513 -4.111 -5.296 1.00 0.00 N ATOM 1294 CA LEU C 38 3.678 -4.705 -6.339 1.00 0.00 C ATOM 1295 C LEU C 38 4.475 -5.692 -7.181 1.00 0.00 C ATOM 1296 O LEU C 38 3.952 -6.730 -7.574 1.00 0.00 O ATOM 1297 CB LEU C 38 3.077 -3.599 -7.239 1.00 0.00 C ATOM 1298 CG LEU C 38 1.715 -3.133 -6.680 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.374 -1.743 -7.222 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.611 -4.118 -7.103 1.00 0.00 C ATOM 0 H LEU C 38 4.613 -3.098 -5.359 1.00 0.00 H new ATOM 0 HA LEU C 38 2.867 -5.248 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.763 -2.754 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.951 -3.975 -8.254 1.00 0.00 H new ATOM 0 HG LEU C 38 1.779 -3.096 -5.593 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.412 -1.423 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.146 -1.035 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.321 -1.780 -8.310 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.347 -3.783 -6.705 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.558 -4.160 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.839 -5.110 -6.713 1.00 0.00 H new ATOM 1312 N ILE C 39 5.725 -5.366 -7.474 1.00 0.00 N ATOM 1313 CA ILE C 39 6.539 -6.251 -8.293 1.00 0.00 C ATOM 1314 C ILE C 39 6.716 -7.601 -7.594 1.00 0.00 C ATOM 1315 O ILE C 39 6.591 -8.654 -8.216 1.00 0.00 O ATOM 1316 CB ILE C 39 7.907 -5.616 -8.537 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.721 -4.338 -9.365 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.795 -6.592 -9.314 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.042 -3.564 -9.444 1.00 0.00 C ATOM 0 H ILE C 39 6.191 -4.513 -7.164 1.00 0.00 H new ATOM 0 HA ILE C 39 6.038 -6.409 -9.248 1.00 0.00 H new ATOM 0 HB ILE C 39 8.377 -5.379 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.379 -4.592 -10.368 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.950 -3.712 -8.914 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.770 -6.137 -9.487 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.919 -7.509 -8.738 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.328 -6.825 -10.271 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.899 -2.659 -10.034 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.366 -3.295 -8.439 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.802 -4.188 -9.915 1.00 0.00 H new ATOM 1331 N LEU C 40 7.007 -7.571 -6.300 1.00 0.00 N ATOM 1332 CA LEU C 40 7.183 -8.812 -5.549 1.00 0.00 C ATOM 1333 C LEU C 40 5.837 -9.509 -5.307 1.00 0.00 C ATOM 1334 O LEU C 40 5.731 -10.727 -5.432 1.00 0.00 O ATOM 1335 CB LEU C 40 7.878 -8.519 -4.208 1.00 0.00 C ATOM 1336 CG LEU C 40 9.396 -8.436 -4.414 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.725 -7.291 -5.371 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.076 -8.186 -3.068 1.00 0.00 C ATOM 0 H LEU C 40 7.125 -6.718 -5.754 1.00 0.00 H new ATOM 0 HA LEU C 40 7.808 -9.483 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.507 -7.582 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.642 -9.302 -3.487 1.00 0.00 H new ATOM 0 HG LEU C 40 9.756 -9.374 -4.838 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.804 -7.235 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.240 -7.468 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.366 -6.351 -4.951 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.155 -8.127 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.714 -7.249 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.845 -9.004 -2.386 1.00 0.00 H new ATOM 1350 N TRP C 41 4.820 -8.729 -4.941 1.00 0.00 N ATOM 1351 CA TRP C 41 3.497 -9.284 -4.663 1.00 0.00 C ATOM 1352 C TRP C 41 2.830 -9.837 -5.923 1.00 0.00 C ATOM 1353 O TRP C 41 2.263 -10.930 -5.899 1.00 0.00 O ATOM 1354 CB TRP C 41 2.609 -8.211 -4.023 1.00 0.00 C ATOM 1355 CG TRP C 41 1.209 -8.722 -3.878 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.752 -9.474 -2.850 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.074 -8.505 -4.760 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.588 -9.747 -3.060 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.051 -9.166 -4.222 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.086 -7.803 -5.967 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.288 -9.132 -4.859 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.332 -7.764 -6.606 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.429 -8.426 -6.052 1.00 0.00 C ATOM 0 H TRP C 41 4.887 -7.717 -4.831 1.00 0.00 H new ATOM 0 HA TRP C 41 3.625 -10.117 -3.971 1.00 0.00 H new ATOM 0 HB2 TRP C 41 3.006 -7.934 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.614 -7.310 -4.637 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.337 -9.806 -2.005 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.163 -10.309 -2.432 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.758 -7.290 -6.405 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.134 -9.650 -4.431 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.444 -7.219 -7.532 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.388 -8.391 -6.548 1.00 0.00 H new ATOM 1374 N ILE C 42 2.883 -9.079 -7.011 1.00 0.00 N ATOM 1375 CA ILE C 42 2.258 -9.514 -8.258 1.00 0.00 C ATOM 1376 C ILE C 42 2.926 -10.787 -8.770 1.00 0.00 C ATOM 1377 O ILE C 42 2.260 -11.688 -9.279 1.00 0.00 O ATOM 1378 CB ILE C 42 2.364 -8.403 -9.312 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.415 -8.699 -10.477 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.797 -8.317 -9.849 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.388 -7.492 -11.415 1.00 0.00 C ATOM 0 H ILE C 42 3.346 -8.171 -7.058 1.00 0.00 H new ATOM 0 HA ILE C 42 1.206 -9.725 -8.068 1.00 0.00 H new ATOM 0 HB ILE C 42 2.093 -7.456 -8.845 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.745 -9.587 -11.016 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.413 -8.908 -10.103 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.859 -7.525 -10.596 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.480 -8.096 -9.029 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.072 -9.268 -10.305 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.715 -7.694 -12.248 1.00 0.00 H new ATOM 0 HD12 ILE C 42 1.038 -6.615 -10.870 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.392 -7.305 -11.797 1.00 0.00 H new ATOM 1393 N LEU C 43 4.247 -10.855 -8.625 1.00 0.00 N ATOM 1394 CA LEU C 43 4.997 -12.022 -9.074 1.00 0.00 C ATOM 1395 C LEU C 43 4.545 -13.270 -8.317 1.00 0.00 C ATOM 1396 O LEU C 43 4.394 -14.339 -8.908 1.00 0.00 O ATOM 1397 CB LEU C 43 6.502 -11.796 -8.857 1.00 0.00 C ATOM 1398 CG LEU C 43 7.076 -10.898 -9.969 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.479 -10.422 -9.565 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.168 -11.678 -11.299 1.00 0.00 C ATOM 0 H LEU C 43 4.816 -10.121 -8.203 1.00 0.00 H new ATOM 0 HA LEU C 43 4.807 -12.169 -10.137 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.670 -11.334 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.023 -12.754 -8.849 1.00 0.00 H new ATOM 0 HG LEU C 43 6.415 -10.042 -10.105 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.888 -9.786 -10.350 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.418 -9.856 -8.635 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.129 -11.285 -9.422 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.575 -11.029 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.820 -12.542 -11.170 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.174 -12.014 -11.593 1.00 0.00 H new ATOM 1653 N VAL D 28 2.395 11.583 6.483 1.00 0.00 N ATOM 1654 CA VAL D 28 3.543 10.953 7.121 1.00 0.00 C ATOM 1655 C VAL D 28 3.167 9.577 7.661 1.00 0.00 C ATOM 1656 O VAL D 28 3.907 8.609 7.492 1.00 0.00 O ATOM 1657 CB VAL D 28 4.057 11.833 8.263 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.176 11.106 9.013 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.598 13.143 7.688 1.00 0.00 C ATOM 0 HA VAL D 28 4.330 10.835 6.376 1.00 0.00 H new ATOM 0 HB VAL D 28 3.240 12.044 8.953 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.539 11.736 9.825 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.792 10.172 9.423 1.00 0.00 H new ATOM 0 HG13 VAL D 28 5.995 10.892 8.326 1.00 0.00 H new ATOM 0 HG21 VAL D 28 4.965 13.772 8.499 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.414 12.928 6.998 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.801 13.664 7.157 1.00 0.00 H new ATOM 1669 N ALA D 29 2.011 9.499 8.314 1.00 0.00 N ATOM 1670 CA ALA D 29 1.548 8.237 8.875 1.00 0.00 C ATOM 1671 C ALA D 29 1.329 7.209 7.775 1.00 0.00 C ATOM 1672 O ALA D 29 1.646 6.033 7.939 1.00 0.00 O ATOM 1673 CB ALA D 29 0.240 8.454 9.640 1.00 0.00 C ATOM 0 H ALA D 29 1.383 10.289 8.466 1.00 0.00 H new ATOM 0 HA ALA D 29 2.312 7.864 9.558 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.100 7.506 10.056 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.405 9.167 10.448 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.518 8.844 8.961 1.00 0.00 H new ATOM 1679 N ALA D 30 0.788 7.656 6.649 1.00 0.00 N ATOM 1680 CA ALA D 30 0.534 6.755 5.533 1.00 0.00 C ATOM 1681 C ALA D 30 1.822 6.063 5.099 1.00 0.00 C ATOM 1682 O ALA D 30 1.852 4.846 4.915 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.055 7.536 4.356 1.00 0.00 C ATOM 0 H ALA D 30 0.519 8.626 6.485 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.179 5.996 5.856 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.242 6.856 3.525 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.992 8.003 4.661 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.649 8.307 4.042 1.00 0.00 H new ATOM 1689 N ASN D 31 2.885 6.841 4.939 1.00 0.00 N ATOM 1690 CA ASN D 31 4.169 6.287 4.528 1.00 0.00 C ATOM 1691 C ASN D 31 4.714 5.336 5.591 1.00 0.00 C ATOM 1692 O ASN D 31 5.248 4.274 5.272 1.00 0.00 O ATOM 1693 CB ASN D 31 5.173 7.416 4.289 1.00 0.00 C ATOM 1694 CG ASN D 31 6.515 6.838 3.858 1.00 0.00 C ATOM 1695 OD1 ASN D 31 6.561 5.847 3.129 1.00 0.00 O ATOM 1696 ND2 ASN D 31 7.618 7.399 4.270 1.00 0.00 N ATOM 0 H ASN D 31 2.885 7.850 5.086 1.00 0.00 H new ATOM 0 HA ASN D 31 4.020 5.730 3.603 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.796 8.093 3.522 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.296 8.003 5.199 1.00 0.00 H new ATOM 0 HD21 ASN D 31 8.521 7.017 3.988 1.00 0.00 H new ATOM 0 HD22 ASN D 31 7.578 8.220 4.874 1.00 0.00 H new ATOM 1703 N ILE D 32 4.582 5.726 6.858 1.00 0.00 N ATOM 1704 CA ILE D 32 5.071 4.901 7.959 1.00 0.00 C ATOM 1705 C ILE D 32 4.310 3.578 8.026 1.00 0.00 C ATOM 1706 O ILE D 32 4.904 2.517 8.202 1.00 0.00 O ATOM 1707 CB ILE D 32 4.915 5.655 9.284 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.856 6.861 9.296 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.267 4.728 10.453 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.510 7.768 10.480 1.00 0.00 C ATOM 0 H ILE D 32 4.144 6.601 7.145 1.00 0.00 H new ATOM 0 HA ILE D 32 6.125 4.686 7.785 1.00 0.00 H new ATOM 0 HB ILE D 32 3.883 5.991 9.387 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.891 6.527 9.370 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.766 7.415 8.362 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.155 5.269 11.393 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.599 3.866 10.448 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.298 4.389 10.351 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.181 8.627 10.488 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.480 8.112 10.386 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.623 7.211 11.410 1.00 0.00 H new ATOM 1722 N ILE D 33 2.992 3.653 7.881 1.00 0.00 N ATOM 1723 CA ILE D 33 2.155 2.457 7.931 1.00 0.00 C ATOM 1724 C ILE D 33 2.524 1.504 6.797 1.00 0.00 C ATOM 1725 O ILE D 33 2.620 0.294 7.003 1.00 0.00 O ATOM 1726 CB ILE D 33 0.678 2.856 7.828 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.257 3.595 9.103 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.185 1.604 7.668 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -1.077 4.304 8.861 1.00 0.00 C ATOM 0 H ILE D 33 2.481 4.523 7.729 1.00 0.00 H new ATOM 0 HA ILE D 33 2.322 1.946 8.879 1.00 0.00 H new ATOM 0 HB ILE D 33 0.543 3.506 6.963 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.163 2.892 9.930 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.021 4.319 9.386 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.234 1.892 7.595 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.109 1.073 6.763 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.046 0.954 8.532 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.379 4.830 9.766 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.966 5.019 8.045 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.837 3.569 8.598 1.00 0.00 H new ATOM 1741 N GLY D 34 2.727 2.051 5.606 1.00 0.00 N ATOM 1742 CA GLY D 34 3.083 1.228 4.457 1.00 0.00 C ATOM 1743 C GLY D 34 4.377 0.459 4.717 1.00 0.00 C ATOM 1744 O GLY D 34 4.485 -0.719 4.375 1.00 0.00 O ATOM 0 H GLY D 34 2.653 3.049 5.411 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.276 0.528 4.242 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.201 1.858 3.576 1.00 0.00 H new ATOM 1748 N ILE D 35 5.354 1.131 5.318 1.00 0.00 N ATOM 1749 CA ILE D 35 6.636 0.496 5.616 1.00 0.00 C ATOM 1750 C ILE D 35 6.455 -0.646 6.621 1.00 0.00 C ATOM 1751 O ILE D 35 7.017 -1.730 6.450 1.00 0.00 O ATOM 1752 CB ILE D 35 7.613 1.536 6.181 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.962 2.548 5.085 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.892 0.841 6.655 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.709 3.735 5.700 1.00 0.00 C ATOM 0 H ILE D 35 5.285 2.107 5.607 1.00 0.00 H new ATOM 0 HA ILE D 35 7.040 0.083 4.692 1.00 0.00 H new ATOM 0 HB ILE D 35 7.149 2.049 7.023 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.578 2.074 4.321 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.053 2.893 4.592 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.583 1.583 7.055 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.646 0.118 7.432 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.359 0.327 5.815 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.956 4.454 4.919 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.077 4.215 6.447 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.626 3.383 6.172 1.00 0.00 H new ATOM 1767 N LEU D 36 5.663 -0.397 7.663 1.00 0.00 N ATOM 1768 CA LEU D 36 5.414 -1.412 8.684 1.00 0.00 C ATOM 1769 C LEU D 36 4.701 -2.619 8.070 1.00 0.00 C ATOM 1770 O LEU D 36 5.009 -3.763 8.403 1.00 0.00 O ATOM 1771 CB LEU D 36 4.571 -0.828 9.840 1.00 0.00 C ATOM 1772 CG LEU D 36 5.463 -0.198 10.926 1.00 0.00 C ATOM 1773 CD1 LEU D 36 6.124 1.085 10.417 1.00 0.00 C ATOM 1774 CD2 LEU D 36 4.599 0.132 12.143 1.00 0.00 C ATOM 0 H LEU D 36 5.187 0.491 7.821 1.00 0.00 H new ATOM 0 HA LEU D 36 6.374 -1.736 9.086 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.886 -0.076 9.448 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.961 -1.616 10.281 1.00 0.00 H new ATOM 0 HG LEU D 36 6.247 -0.908 11.192 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.748 1.509 11.203 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.741 0.856 9.548 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.354 1.804 10.137 1.00 0.00 H new ATOM 0 HD21 LEU D 36 5.220 0.579 12.919 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.817 0.834 11.854 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.143 -0.782 12.524 1.00 0.00 H new ATOM 1786 N HIS D 37 3.753 -2.358 7.181 1.00 0.00 N ATOM 1787 CA HIS D 37 3.015 -3.439 6.541 1.00 0.00 C ATOM 1788 C HIS D 37 3.977 -4.364 5.805 1.00 0.00 C ATOM 1789 O HIS D 37 3.838 -5.587 5.852 1.00 0.00 O ATOM 1790 CB HIS D 37 2.002 -2.874 5.547 1.00 0.00 C ATOM 1791 CG HIS D 37 1.236 -4.009 4.932 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.129 -4.151 5.092 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.633 -5.075 4.165 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.499 -5.266 4.441 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.536 -5.866 3.859 1.00 0.00 N ATOM 0 H HIS D 37 3.479 -1.420 6.889 1.00 0.00 H new ATOM 0 HA HIS D 37 2.488 -4.000 7.313 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.320 -2.190 6.052 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.513 -2.301 4.773 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.647 -5.269 3.847 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.514 -5.631 4.395 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.525 -6.723 3.307 1.00 0.00 H new ATOM 1803 N LEU D 38 4.953 -3.772 5.124 1.00 0.00 N ATOM 1804 CA LEU D 38 5.932 -4.552 4.374 1.00 0.00 C ATOM 1805 C LEU D 38 6.722 -5.470 5.297 1.00 0.00 C ATOM 1806 O LEU D 38 7.036 -6.597 4.928 1.00 0.00 O ATOM 1807 CB LEU D 38 6.892 -3.611 3.607 1.00 0.00 C ATOM 1808 CG LEU D 38 6.338 -3.310 2.198 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.969 -2.030 1.648 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.667 -4.475 1.245 1.00 0.00 C ATOM 0 H LEU D 38 5.087 -2.762 5.076 1.00 0.00 H new ATOM 0 HA LEU D 38 5.394 -5.172 3.657 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.020 -2.681 4.161 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.876 -4.072 3.527 1.00 0.00 H new ATOM 0 HG LEU D 38 5.258 -3.185 2.270 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.572 -1.827 0.654 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.736 -1.196 2.310 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.050 -2.154 1.588 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.273 -4.256 0.253 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.748 -4.603 1.186 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.213 -5.392 1.621 1.00 0.00 H new ATOM 1822 N ILE D 39 7.061 -4.986 6.483 1.00 0.00 N ATOM 1823 CA ILE D 39 7.834 -5.800 7.411 1.00 0.00 C ATOM 1824 C ILE D 39 7.050 -7.057 7.790 1.00 0.00 C ATOM 1825 O ILE D 39 7.597 -8.158 7.814 1.00 0.00 O ATOM 1826 CB ILE D 39 8.148 -4.989 8.670 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.057 -3.815 8.291 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.875 -5.881 9.682 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.214 -2.864 9.482 1.00 0.00 C ATOM 0 H ILE D 39 6.820 -4.054 6.821 1.00 0.00 H new ATOM 0 HA ILE D 39 8.766 -6.097 6.929 1.00 0.00 H new ATOM 0 HB ILE D 39 7.222 -4.618 9.110 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.034 -4.187 7.981 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.636 -3.279 7.441 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.099 -5.305 10.580 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.240 -6.727 9.943 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.804 -6.246 9.244 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.862 -2.034 9.202 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.236 -2.480 9.772 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.656 -3.402 10.321 1.00 0.00 H new ATOM 1841 N LEU D 40 5.766 -6.895 8.085 1.00 0.00 N ATOM 1842 CA LEU D 40 4.938 -8.042 8.448 1.00 0.00 C ATOM 1843 C LEU D 40 4.621 -8.906 7.220 1.00 0.00 C ATOM 1844 O LEU D 40 4.661 -10.135 7.292 1.00 0.00 O ATOM 1845 CB LEU D 40 3.633 -7.557 9.106 1.00 0.00 C ATOM 1846 CG LEU D 40 3.875 -7.271 10.594 1.00 0.00 C ATOM 1847 CD1 LEU D 40 4.915 -6.160 10.744 1.00 0.00 C ATOM 1848 CD2 LEU D 40 2.562 -6.831 11.244 1.00 0.00 C ATOM 0 H LEU D 40 5.281 -5.998 8.081 1.00 0.00 H new ATOM 0 HA LEU D 40 5.494 -8.655 9.157 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.276 -6.656 8.607 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.856 -8.313 8.993 1.00 0.00 H new ATOM 0 HG LEU D 40 4.242 -8.174 11.082 1.00 0.00 H new ATOM 0 HD11 LEU D 40 5.084 -5.960 11.802 1.00 0.00 H new ATOM 0 HD12 LEU D 40 5.851 -6.472 10.280 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.553 -5.255 10.257 1.00 0.00 H new ATOM 0 HD21 LEU D 40 2.730 -6.627 12.301 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.198 -5.928 10.754 1.00 0.00 H new ATOM 0 HD23 LEU D 40 1.821 -7.624 11.141 1.00 0.00 H new ATOM 1860 N TRP D 41 4.290 -8.258 6.104 1.00 0.00 N ATOM 1861 CA TRP D 41 3.947 -8.980 4.878 1.00 0.00 C ATOM 1862 C TRP D 41 5.152 -9.711 4.287 1.00 0.00 C ATOM 1863 O TRP D 41 5.045 -10.870 3.885 1.00 0.00 O ATOM 1864 CB TRP D 41 3.365 -8.003 3.851 1.00 0.00 C ATOM 1865 CG TRP D 41 3.158 -8.702 2.539 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.071 -9.434 2.207 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.030 -8.713 1.376 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.234 -9.913 0.919 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.424 -9.488 0.364 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.279 -8.130 1.105 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.036 -9.679 -0.872 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.894 -8.317 -0.141 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.273 -9.090 -1.125 1.00 0.00 C ATOM 0 H TRP D 41 4.252 -7.242 6.022 1.00 0.00 H new ATOM 0 HA TRP D 41 3.203 -9.735 5.132 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.418 -7.603 4.213 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.039 -7.156 3.719 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.216 -9.615 2.842 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.558 -10.507 0.439 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.769 -7.534 1.861 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.555 -10.280 -1.630 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.852 -7.861 -0.341 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.752 -9.231 -2.083 1.00 0.00 H new ATOM 1884 N ILE D 42 6.291 -9.032 4.219 1.00 0.00 N ATOM 1885 CA ILE D 42 7.494 -9.637 3.653 1.00 0.00 C ATOM 1886 C ILE D 42 7.931 -10.833 4.495 1.00 0.00 C ATOM 1887 O ILE D 42 8.365 -11.854 3.962 1.00 0.00 O ATOM 1888 CB ILE D 42 8.623 -8.599 3.585 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.746 -9.110 2.678 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.192 -8.345 4.985 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.763 -7.989 2.467 1.00 0.00 C ATOM 0 H ILE D 42 6.408 -8.072 4.544 1.00 0.00 H new ATOM 0 HA ILE D 42 7.271 -9.983 2.644 1.00 0.00 H new ATOM 0 HB ILE D 42 8.217 -7.671 3.183 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.229 -9.977 3.129 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.339 -9.434 1.720 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.992 -7.607 4.924 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.402 -7.971 5.636 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.587 -9.276 5.392 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.567 -8.344 1.822 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.272 -7.136 1.999 1.00 0.00 H new ATOM 0 HD13 ILE D 42 11.176 -7.687 3.429 1.00 0.00 H new ATOM 1903 N LEU D 43 7.809 -10.697 5.813 1.00 0.00 N ATOM 1904 CA LEU D 43 8.194 -11.772 6.719 1.00 0.00 C ATOM 1905 C LEU D 43 7.345 -13.017 6.463 1.00 0.00 C ATOM 1906 O LEU D 43 7.859 -14.134 6.462 1.00 0.00 O ATOM 1907 CB LEU D 43 8.020 -11.316 8.177 1.00 0.00 C ATOM 1908 CG LEU D 43 9.205 -10.425 8.604 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.862 -9.723 9.926 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.481 -11.276 8.793 1.00 0.00 C ATOM 0 H LEU D 43 7.450 -9.860 6.273 1.00 0.00 H new ATOM 0 HA LEU D 43 9.241 -12.018 6.540 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.085 -10.766 8.284 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.955 -12.185 8.832 1.00 0.00 H new ATOM 0 HG LEU D 43 9.388 -9.685 7.825 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.697 -9.093 10.231 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.973 -9.107 9.791 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.672 -10.470 10.696 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.307 -10.632 9.094 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.307 -12.027 9.564 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.731 -11.771 7.854 1.00 0.00 H new