USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=4 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 :FLIP amide:sc= -0.412 F(o=-2.3,f=-0.41) USER MOD Single : A 37 HIS : no HD1:sc= -9.12! C(o=-9.1!,f=-11!) USER MOD Single : B 31 ASN :FLIP amide:sc= -0.194 F(o=-2,f=-0.19) USER MOD Single : B 37 HIS : no HD1:sc= -9.22! C(o=-9.2!,f=-11!) USER MOD Single : C 31 ASN :FLIP amide:sc= -0.998 F(o=-3.3,f=-1) USER MOD Single : C 37 HIS : no HD1:sc= -9.07! C(o=-9.1!,f=-11!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.68 F(o=-2.9,f=-0.68) USER MOD Single : D 37 HIS : no HD1:sc= -9.17! C(o=-9.2!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.587 12.516 0.891 1.00 0.00 N ATOM 124 CA VAL A 28 -6.270 12.121 2.118 1.00 0.00 C ATOM 125 C VAL A 28 -6.980 10.788 1.925 1.00 0.00 C ATOM 126 O VAL A 28 -6.958 9.926 2.803 1.00 0.00 O ATOM 127 CB VAL A 28 -7.280 13.193 2.535 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.536 14.475 2.914 1.00 0.00 C ATOM 129 CG2 VAL A 28 -8.229 13.489 1.373 1.00 0.00 C ATOM 0 HA VAL A 28 -5.525 12.013 2.906 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.852 12.832 3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.255 15.239 3.211 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.859 14.271 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.963 14.830 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.946 14.253 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.656 13.847 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.762 12.579 1.098 1.00 0.00 H new ATOM 139 N ALA A 29 -7.611 10.631 0.768 1.00 0.00 N ATOM 140 CA ALA A 29 -8.330 9.400 0.461 1.00 0.00 C ATOM 141 C ALA A 29 -7.372 8.216 0.428 1.00 0.00 C ATOM 142 O ALA A 29 -7.701 7.128 0.892 1.00 0.00 O ATOM 143 CB ALA A 29 -9.030 9.525 -0.893 1.00 0.00 C ATOM 0 H ALA A 29 -7.640 11.335 0.031 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.073 9.234 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.564 8.601 -1.113 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.737 10.354 -0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.288 9.710 -1.670 1.00 0.00 H new ATOM 149 N ALA A 30 -6.184 8.434 -0.123 1.00 0.00 N ATOM 150 CA ALA A 30 -5.195 7.368 -0.209 1.00 0.00 C ATOM 151 C ALA A 30 -4.814 6.881 1.184 1.00 0.00 C ATOM 152 O ALA A 30 -4.696 5.678 1.418 1.00 0.00 O ATOM 153 CB ALA A 30 -3.945 7.872 -0.932 1.00 0.00 C ATOM 0 H ALA A 30 -5.885 9.328 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.629 6.539 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.211 7.069 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.212 8.195 -1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.520 8.712 -0.382 1.00 0.00 H new ATOM 159 N ASN A 31 -4.626 7.817 2.107 1.00 0.00 N ATOM 160 CA ASN A 31 -4.261 7.459 3.474 1.00 0.00 C ATOM 161 C ASN A 31 -5.380 6.662 4.142 1.00 0.00 C ATOM 162 O ASN A 31 -5.124 5.678 4.836 1.00 0.00 O ATOM 163 CB ASN A 31 -3.981 8.724 4.286 1.00 0.00 C ATOM 164 CG ASN A 31 -2.864 9.528 3.627 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.044 8.934 2.804 1.00 0.00 O flip ATOM 166 ND2 ASN A 31 -2.737 10.728 3.869 1.00 0.00 N flip ATOM 0 H ASN A 31 -4.719 8.819 1.938 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.364 6.841 3.438 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.885 9.330 4.355 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.697 8.458 5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.380 11.189 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.989 11.261 3.426 1.00 0.00 H new ATOM 173 N ILE A 32 -6.620 7.092 3.926 1.00 0.00 N ATOM 174 CA ILE A 32 -7.770 6.411 4.513 1.00 0.00 C ATOM 175 C ILE A 32 -7.909 5.001 3.940 1.00 0.00 C ATOM 176 O ILE A 32 -8.152 4.043 4.673 1.00 0.00 O ATOM 177 CB ILE A 32 -9.048 7.214 4.236 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.989 8.536 5.006 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.274 6.418 4.692 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.100 9.464 4.515 1.00 0.00 C ATOM 0 H ILE A 32 -6.853 7.903 3.353 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.617 6.335 5.590 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.125 7.410 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.101 8.352 6.074 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.017 9.008 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.177 6.995 4.492 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.318 5.474 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.201 6.218 5.761 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.057 10.405 5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.968 9.658 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.068 8.991 4.680 1.00 0.00 H new ATOM 192 N ILE A 33 -7.753 4.888 2.625 1.00 0.00 N ATOM 193 CA ILE A 33 -7.862 3.595 1.957 1.00 0.00 C ATOM 194 C ILE A 33 -6.764 2.647 2.439 1.00 0.00 C ATOM 195 O ILE A 33 -7.021 1.470 2.697 1.00 0.00 O ATOM 196 CB ILE A 33 -7.762 3.788 0.438 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.005 4.524 -0.067 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.670 2.426 -0.252 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.763 5.002 -1.500 1.00 0.00 C ATOM 0 H ILE A 33 -7.552 5.671 2.003 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.828 3.154 2.201 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.870 4.372 0.210 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.871 3.863 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.226 5.373 0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.599 2.568 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.785 1.897 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.560 1.840 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.647 5.527 -1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.907 5.677 -1.519 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.562 4.143 -2.141 1.00 0.00 H new ATOM 211 N GLY A 34 -5.545 3.162 2.556 1.00 0.00 N ATOM 212 CA GLY A 34 -4.425 2.341 3.002 1.00 0.00 C ATOM 213 C GLY A 34 -4.686 1.763 4.390 1.00 0.00 C ATOM 214 O GLY A 34 -4.425 0.587 4.640 1.00 0.00 O ATOM 0 H GLY A 34 -5.308 4.133 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.259 1.530 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.515 2.941 3.020 1.00 0.00 H new ATOM 218 N ILE A 35 -5.207 2.594 5.286 1.00 0.00 N ATOM 219 CA ILE A 35 -5.504 2.147 6.642 1.00 0.00 C ATOM 220 C ILE A 35 -6.584 1.066 6.621 1.00 0.00 C ATOM 221 O ILE A 35 -6.484 0.060 7.324 1.00 0.00 O ATOM 222 CB ILE A 35 -5.970 3.336 7.490 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.797 4.300 7.689 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.461 2.840 8.853 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.301 5.612 8.294 1.00 0.00 C ATOM 0 H ILE A 35 -5.431 3.572 5.101 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.599 1.727 7.080 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.787 3.848 6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.051 3.850 8.344 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.307 4.493 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.791 3.689 9.452 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.293 2.151 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.649 2.327 9.368 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.462 6.294 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.030 6.066 7.623 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.770 5.412 9.257 1.00 0.00 H new ATOM 237 N LEU A 36 -7.617 1.290 5.811 1.00 0.00 N ATOM 238 CA LEU A 36 -8.719 0.337 5.705 1.00 0.00 C ATOM 239 C LEU A 36 -8.219 -1.003 5.180 1.00 0.00 C ATOM 240 O LEU A 36 -8.635 -2.061 5.656 1.00 0.00 O ATOM 241 CB LEU A 36 -9.813 0.891 4.780 1.00 0.00 C ATOM 242 CG LEU A 36 -10.997 -0.116 4.680 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.332 0.635 4.698 1.00 0.00 C ATOM 244 CD2 LEU A 36 -10.913 -0.917 3.372 1.00 0.00 C ATOM 0 H LEU A 36 -7.714 2.117 5.222 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.140 0.185 6.699 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.171 1.847 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.400 1.077 3.788 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.935 -0.792 5.532 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.152 -0.079 4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.420 1.198 5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.375 1.321 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.748 -1.616 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.957 -0.234 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.974 -1.471 3.344 1.00 0.00 H new ATOM 256 N HIS A 37 -7.322 -0.956 4.203 1.00 0.00 N ATOM 257 CA HIS A 37 -6.776 -2.178 3.631 1.00 0.00 C ATOM 258 C HIS A 37 -6.106 -3.009 4.718 1.00 0.00 C ATOM 259 O HIS A 37 -6.262 -4.231 4.763 1.00 0.00 O ATOM 260 CB HIS A 37 -5.745 -1.835 2.559 1.00 0.00 C ATOM 261 CG HIS A 37 -5.214 -3.107 1.957 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.372 -3.414 0.618 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.542 -4.173 2.502 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.810 -4.616 0.407 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.288 -5.122 1.522 1.00 0.00 N ATOM 0 H HIS A 37 -6.961 -0.094 3.794 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.591 -2.749 3.186 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.199 -1.215 1.786 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.930 -1.256 2.994 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.254 -4.260 3.539 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.785 -5.112 -0.552 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.806 -6.014 1.632 1.00 0.00 H new ATOM 273 N LEU A 38 -5.355 -2.342 5.586 1.00 0.00 N ATOM 274 CA LEU A 38 -4.653 -3.031 6.666 1.00 0.00 C ATOM 275 C LEU A 38 -5.634 -3.729 7.600 1.00 0.00 C ATOM 276 O LEU A 38 -5.358 -4.825 8.078 1.00 0.00 O ATOM 277 CB LEU A 38 -3.774 -2.035 7.456 1.00 0.00 C ATOM 278 CG LEU A 38 -2.372 -1.936 6.822 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.676 -0.657 7.297 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.515 -3.149 7.235 1.00 0.00 C ATOM 0 H LEU A 38 -5.216 -1.332 5.565 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.011 -3.791 6.221 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.246 -1.052 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.689 -2.359 8.493 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.483 -1.918 5.738 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.686 -0.593 6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.267 0.210 7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.579 -0.677 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.527 -3.068 6.781 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.415 -3.171 8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.996 -4.067 6.896 1.00 0.00 H new ATOM 292 N ILE A 39 -6.768 -3.099 7.867 1.00 0.00 N ATOM 293 CA ILE A 39 -7.747 -3.699 8.761 1.00 0.00 C ATOM 294 C ILE A 39 -8.234 -5.034 8.199 1.00 0.00 C ATOM 295 O ILE A 39 -8.322 -6.025 8.919 1.00 0.00 O ATOM 296 CB ILE A 39 -8.938 -2.752 8.930 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.474 -1.496 9.677 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.047 -3.448 9.728 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.583 -0.438 9.676 1.00 0.00 C ATOM 0 H ILE A 39 -7.030 -2.190 7.486 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.276 -3.874 9.729 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.328 -2.475 7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.207 -1.752 10.702 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.578 -1.094 9.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.892 -2.769 9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.371 -4.343 9.196 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.667 -3.728 10.711 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.241 0.449 10.210 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.830 -0.170 8.649 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.469 -0.839 10.169 1.00 0.00 H new ATOM 311 N LEU A 40 -8.552 -5.063 6.912 1.00 0.00 N ATOM 312 CA LEU A 40 -9.023 -6.301 6.298 1.00 0.00 C ATOM 313 C LEU A 40 -7.869 -7.290 6.092 1.00 0.00 C ATOM 314 O LEU A 40 -8.007 -8.483 6.363 1.00 0.00 O ATOM 315 CB LEU A 40 -9.706 -6.000 4.961 1.00 0.00 C ATOM 316 CG LEU A 40 -10.284 -7.288 4.353 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.324 -7.916 5.303 1.00 0.00 C ATOM 318 CD2 LEU A 40 -10.947 -6.940 3.018 1.00 0.00 C ATOM 0 H LEU A 40 -8.495 -4.263 6.282 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.746 -6.760 6.972 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.502 -5.271 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.989 -5.554 4.271 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.482 -8.010 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.722 -8.827 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.849 -8.156 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.137 -7.209 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.363 -7.843 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.745 -6.217 3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.205 -6.511 2.344 1.00 0.00 H new ATOM 330 N TRP A 41 -6.737 -6.789 5.593 1.00 0.00 N ATOM 331 CA TRP A 41 -5.573 -7.638 5.332 1.00 0.00 C ATOM 332 C TRP A 41 -4.994 -8.229 6.621 1.00 0.00 C ATOM 333 O TRP A 41 -4.685 -9.419 6.680 1.00 0.00 O ATOM 334 CB TRP A 41 -4.501 -6.828 4.598 1.00 0.00 C ATOM 335 CG TRP A 41 -3.241 -7.630 4.471 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.977 -8.529 3.494 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.062 -7.592 5.320 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.716 -9.058 3.707 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.112 -8.506 4.818 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.734 -6.858 6.470 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.124 -8.685 5.438 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.489 -7.032 7.091 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.435 -7.942 6.575 1.00 0.00 C ATOM 0 H TRP A 41 -6.602 -5.805 5.363 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.899 -8.471 4.709 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.862 -6.546 3.609 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.299 -5.904 5.139 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.640 -8.790 2.683 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.286 -9.769 3.115 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.445 -6.155 6.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.835 -9.394 5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.244 -6.459 7.973 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.393 -8.070 7.058 1.00 0.00 H new ATOM 354 N ILE A 42 -4.834 -7.398 7.643 1.00 0.00 N ATOM 355 CA ILE A 42 -4.273 -7.867 8.908 1.00 0.00 C ATOM 356 C ILE A 42 -5.185 -8.920 9.527 1.00 0.00 C ATOM 357 O ILE A 42 -4.714 -9.905 10.095 1.00 0.00 O ATOM 358 CB ILE A 42 -4.091 -6.686 9.872 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.198 -7.108 11.044 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.452 -6.228 10.415 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.850 -5.871 11.873 1.00 0.00 C ATOM 0 H ILE A 42 -5.080 -6.408 7.625 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.299 -8.318 8.718 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.625 -5.863 9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.711 -7.844 11.663 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.289 -7.581 10.674 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.308 -5.390 11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.088 -5.916 9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.927 -7.052 10.947 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.215 -6.161 12.710 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.321 -5.151 11.248 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.766 -5.418 12.253 1.00 0.00 H new ATOM 373 N LEU A 43 -6.493 -8.709 9.408 1.00 0.00 N ATOM 374 CA LEU A 43 -7.461 -9.652 9.957 1.00 0.00 C ATOM 375 C LEU A 43 -7.306 -11.022 9.291 1.00 0.00 C ATOM 376 O LEU A 43 -7.386 -12.053 9.957 1.00 0.00 O ATOM 377 CB LEU A 43 -8.888 -9.122 9.741 1.00 0.00 C ATOM 378 CG LEU A 43 -9.228 -8.052 10.797 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.507 -7.313 10.381 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.442 -8.707 12.181 1.00 0.00 C ATOM 0 H LEU A 43 -6.904 -7.901 8.941 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.278 -9.760 11.026 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.978 -8.697 8.741 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.602 -9.944 9.803 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.398 -7.349 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.749 -6.556 11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.352 -6.834 9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.330 -8.024 10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.681 -7.937 12.915 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.264 -9.421 12.123 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.532 -9.226 12.483 1.00 0.00 H new ATOM 633 N VAL B 28 0.054 11.565 -7.249 1.00 0.00 N ATOM 634 CA VAL B 28 -1.219 11.189 -7.858 1.00 0.00 C ATOM 635 C VAL B 28 -1.160 9.757 -8.370 1.00 0.00 C ATOM 636 O VAL B 28 -2.111 8.991 -8.217 1.00 0.00 O ATOM 637 CB VAL B 28 -1.558 12.138 -9.010 1.00 0.00 C ATOM 638 CG1 VAL B 28 -1.805 13.542 -8.458 1.00 0.00 C ATOM 639 CG2 VAL B 28 -0.397 12.186 -10.002 1.00 0.00 C ATOM 0 HA VAL B 28 -1.998 11.261 -7.099 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.453 11.778 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.046 14.218 -9.278 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.636 13.515 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -0.909 13.895 -7.948 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.645 12.863 -10.819 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.500 12.542 -9.495 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.217 11.187 -10.400 1.00 0.00 H new ATOM 649 N ALA B 29 -0.035 9.404 -8.979 1.00 0.00 N ATOM 650 CA ALA B 29 0.144 8.061 -9.514 1.00 0.00 C ATOM 651 C ALA B 29 0.092 7.029 -8.394 1.00 0.00 C ATOM 652 O ALA B 29 -0.474 5.950 -8.559 1.00 0.00 O ATOM 653 CB ALA B 29 1.490 7.959 -10.235 1.00 0.00 C ATOM 0 H ALA B 29 0.763 10.025 -9.114 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.663 7.862 -10.219 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.615 6.951 -10.632 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.519 8.678 -11.054 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.296 8.175 -9.534 1.00 0.00 H new ATOM 659 N ALA B 30 0.684 7.365 -7.254 1.00 0.00 N ATOM 660 CA ALA B 30 0.694 6.450 -6.120 1.00 0.00 C ATOM 661 C ALA B 30 -0.728 6.153 -5.661 1.00 0.00 C ATOM 662 O ALA B 30 -1.066 5.006 -5.366 1.00 0.00 O ATOM 663 CB ALA B 30 1.488 7.060 -4.965 1.00 0.00 C ATOM 0 H ALA B 30 1.158 8.253 -7.091 1.00 0.00 H new ATOM 0 HA ALA B 30 1.165 5.518 -6.432 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.491 6.370 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.513 7.245 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.027 8.000 -4.663 1.00 0.00 H new ATOM 669 N ASN B 31 -1.558 7.187 -5.607 1.00 0.00 N ATOM 670 CA ASN B 31 -2.942 7.012 -5.180 1.00 0.00 C ATOM 671 C ASN B 31 -3.701 6.126 -6.165 1.00 0.00 C ATOM 672 O ASN B 31 -4.473 5.255 -5.764 1.00 0.00 O ATOM 673 CB ASN B 31 -3.631 8.373 -5.081 1.00 0.00 C ATOM 674 CG ASN B 31 -2.881 9.267 -4.098 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.097 8.723 -3.208 1.00 0.00 O flip ATOM 676 ND2 ASN B 31 -3.012 10.489 -4.143 1.00 0.00 N flip ATOM 0 H ASN B 31 -1.303 8.144 -5.850 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.943 6.530 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.664 8.845 -6.063 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.663 8.245 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.626 10.911 -4.840 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -2.507 11.081 -3.483 1.00 0.00 H new ATOM 683 N ILE B 32 -3.476 6.352 -7.458 1.00 0.00 N ATOM 684 CA ILE B 32 -4.144 5.569 -8.492 1.00 0.00 C ATOM 685 C ILE B 32 -3.704 4.107 -8.427 1.00 0.00 C ATOM 686 O ILE B 32 -4.526 3.195 -8.523 1.00 0.00 O ATOM 687 CB ILE B 32 -3.821 6.149 -9.874 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.468 7.531 -10.004 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.373 5.229 -10.967 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.919 8.239 -11.243 1.00 0.00 C ATOM 0 H ILE B 32 -2.840 7.067 -7.812 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.220 5.616 -8.323 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.740 6.232 -9.986 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.551 7.431 -10.079 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.264 8.125 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.140 5.647 -11.946 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.918 4.242 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.454 5.142 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.380 9.222 -11.334 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.839 8.352 -11.149 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.146 7.648 -12.130 1.00 0.00 H new ATOM 702 N ILE B 33 -2.402 3.898 -8.264 1.00 0.00 N ATOM 703 CA ILE B 33 -1.853 2.546 -8.187 1.00 0.00 C ATOM 704 C ILE B 33 -2.393 1.816 -6.961 1.00 0.00 C ATOM 705 O ILE B 33 -2.757 0.641 -7.039 1.00 0.00 O ATOM 706 CB ILE B 33 -0.324 2.611 -8.131 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.218 3.112 -9.472 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.246 1.219 -7.851 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.694 3.484 -9.312 1.00 0.00 C ATOM 0 H ILE B 33 -1.709 4.642 -8.183 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.157 1.994 -9.076 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.027 3.293 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.106 2.341 -10.234 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.353 3.978 -9.808 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.334 1.272 -7.812 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.134 0.856 -6.896 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.056 0.536 -8.645 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.084 3.841 -10.265 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.792 4.269 -8.562 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.258 2.607 -8.995 1.00 0.00 H new ATOM 721 N GLY B 34 -2.438 2.509 -5.828 1.00 0.00 N ATOM 722 CA GLY B 34 -2.930 1.899 -4.596 1.00 0.00 C ATOM 723 C GLY B 34 -4.370 1.422 -4.758 1.00 0.00 C ATOM 724 O GLY B 34 -4.721 0.324 -4.325 1.00 0.00 O ATOM 0 H GLY B 34 -2.144 3.481 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.293 1.057 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.872 2.620 -3.781 1.00 0.00 H new ATOM 728 N ILE B 35 -5.197 2.246 -5.392 1.00 0.00 N ATOM 729 CA ILE B 35 -6.596 1.890 -5.610 1.00 0.00 C ATOM 730 C ILE B 35 -6.696 0.666 -6.520 1.00 0.00 C ATOM 731 O ILE B 35 -7.486 -0.244 -6.269 1.00 0.00 O ATOM 732 CB ILE B 35 -7.343 3.071 -6.240 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.432 4.208 -5.219 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.758 2.635 -6.643 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.927 5.481 -5.909 1.00 0.00 C ATOM 0 H ILE B 35 -4.927 3.158 -5.762 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.051 1.651 -4.649 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.807 3.410 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.111 3.933 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.455 4.383 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.285 3.478 -7.090 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.696 1.821 -7.365 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.300 2.296 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.990 6.289 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.232 5.760 -6.701 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.913 5.302 -6.338 1.00 0.00 H new ATOM 747 N LEU B 36 -5.889 0.660 -7.580 1.00 0.00 N ATOM 748 CA LEU B 36 -5.895 -0.447 -8.533 1.00 0.00 C ATOM 749 C LEU B 36 -5.482 -1.744 -7.847 1.00 0.00 C ATOM 750 O LEU B 36 -6.059 -2.801 -8.101 1.00 0.00 O ATOM 751 CB LEU B 36 -4.947 -0.145 -9.704 1.00 0.00 C ATOM 752 CG LEU B 36 -4.962 -1.318 -10.729 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.940 -0.771 -12.160 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.729 -2.215 -10.539 1.00 0.00 C ATOM 0 H LEU B 36 -5.227 1.404 -7.799 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.907 -0.564 -8.919 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.248 0.780 -10.195 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.934 0.008 -9.331 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.871 -1.896 -10.562 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.951 -1.601 -12.867 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.816 -0.144 -12.323 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -4.037 -0.179 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.756 -3.029 -11.263 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -2.824 -1.626 -10.689 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.731 -2.627 -9.530 1.00 0.00 H new ATOM 766 N HIS B 37 -4.487 -1.657 -6.975 1.00 0.00 N ATOM 767 CA HIS B 37 -4.016 -2.835 -6.261 1.00 0.00 C ATOM 768 C HIS B 37 -5.157 -3.456 -5.467 1.00 0.00 C ATOM 769 O HIS B 37 -5.316 -4.676 -5.443 1.00 0.00 O ATOM 770 CB HIS B 37 -2.892 -2.447 -5.301 1.00 0.00 C ATOM 771 CG HIS B 37 -2.396 -3.677 -4.595 1.00 0.00 C ATOM 772 ND1 HIS B 37 -1.092 -4.120 -4.713 1.00 0.00 N ATOM 773 CD2 HIS B 37 -3.019 -4.578 -3.770 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.976 -5.242 -3.983 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.121 -5.563 -3.386 1.00 0.00 N ATOM 0 H HIS B 37 -3.995 -0.793 -6.747 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.644 -3.557 -6.988 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -2.077 -1.975 -5.849 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.253 -1.718 -4.576 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -4.054 -4.528 -3.465 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -0.064 -5.814 -3.892 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.300 -6.361 -2.777 1.00 0.00 H new ATOM 783 N LEU B 38 -5.948 -2.609 -4.816 1.00 0.00 N ATOM 784 CA LEU B 38 -7.069 -3.085 -4.014 1.00 0.00 C ATOM 785 C LEU B 38 -8.082 -3.830 -4.874 1.00 0.00 C ATOM 786 O LEU B 38 -8.651 -4.826 -4.437 1.00 0.00 O ATOM 787 CB LEU B 38 -7.749 -1.903 -3.288 1.00 0.00 C ATOM 788 CG LEU B 38 -7.088 -1.661 -1.916 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.428 -0.257 -1.413 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.600 -2.693 -0.894 1.00 0.00 C ATOM 0 H LEU B 38 -5.835 -1.595 -4.828 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.681 -3.781 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.675 -1.003 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.811 -2.112 -3.155 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.008 -1.761 -2.029 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.957 -0.094 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.060 0.483 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.509 -0.158 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.127 -2.514 0.072 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.681 -2.599 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.354 -3.698 -1.237 1.00 0.00 H new ATOM 802 N ILE B 39 -8.314 -3.350 -6.086 1.00 0.00 N ATOM 803 CA ILE B 39 -9.279 -4.003 -6.960 1.00 0.00 C ATOM 804 C ILE B 39 -8.848 -5.440 -7.249 1.00 0.00 C ATOM 805 O ILE B 39 -9.657 -6.363 -7.183 1.00 0.00 O ATOM 806 CB ILE B 39 -9.387 -3.227 -8.275 1.00 0.00 C ATOM 807 CG1 ILE B 39 -10.008 -1.852 -7.994 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.268 -4.001 -9.264 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.936 -0.971 -9.246 1.00 0.00 C ATOM 0 H ILE B 39 -7.859 -2.528 -6.482 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.249 -4.019 -6.463 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.395 -3.101 -8.709 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.046 -1.971 -7.684 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.482 -1.369 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.342 -3.444 -10.198 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.826 -4.978 -9.458 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.264 -4.131 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.380 0.001 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.894 -0.838 -9.538 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.483 -1.449 -10.059 1.00 0.00 H new ATOM 821 N LEU B 40 -7.578 -5.633 -7.572 1.00 0.00 N ATOM 822 CA LEU B 40 -7.086 -6.977 -7.859 1.00 0.00 C ATOM 823 C LEU B 40 -6.946 -7.802 -6.573 1.00 0.00 C ATOM 824 O LEU B 40 -7.327 -8.971 -6.533 1.00 0.00 O ATOM 825 CB LEU B 40 -5.741 -6.901 -8.588 1.00 0.00 C ATOM 826 CG LEU B 40 -5.261 -8.309 -8.973 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.285 -8.994 -9.902 1.00 0.00 C ATOM 828 CD2 LEU B 40 -3.916 -8.185 -9.691 1.00 0.00 C ATOM 0 H LEU B 40 -6.879 -4.893 -7.642 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.813 -7.474 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.839 -6.286 -9.483 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.001 -6.419 -7.949 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.155 -8.915 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -5.929 -9.990 -10.165 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.244 -9.075 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -6.407 -8.402 -10.809 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.561 -9.176 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.037 -7.576 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.191 -7.714 -9.027 1.00 0.00 H new ATOM 840 N TRP B 41 -6.378 -7.190 -5.534 1.00 0.00 N ATOM 841 CA TRP B 41 -6.173 -7.881 -4.257 1.00 0.00 C ATOM 842 C TRP B 41 -7.495 -8.262 -3.589 1.00 0.00 C ATOM 843 O TRP B 41 -7.654 -9.383 -3.109 1.00 0.00 O ATOM 844 CB TRP B 41 -5.346 -6.995 -3.321 1.00 0.00 C ATOM 845 CG TRP B 41 -5.265 -7.611 -1.958 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.367 -8.548 -1.569 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.084 -7.325 -0.793 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.600 -8.865 -0.242 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.646 -8.133 0.281 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.158 -6.450 -0.566 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.253 -8.071 1.533 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.767 -6.384 0.695 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.315 -7.192 1.740 1.00 0.00 C ATOM 0 H TRP B 41 -6.053 -6.223 -5.549 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.636 -8.807 -4.462 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.343 -6.862 -3.727 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.797 -6.005 -3.254 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.596 -8.977 -2.192 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.064 -9.555 0.285 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.518 -5.823 -1.369 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.903 -8.700 2.338 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.590 -5.704 0.859 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.788 -7.136 2.709 1.00 0.00 H new ATOM 864 N ILE B 42 -8.437 -7.325 -3.544 1.00 0.00 N ATOM 865 CA ILE B 42 -9.726 -7.589 -2.911 1.00 0.00 C ATOM 866 C ILE B 42 -10.457 -8.704 -3.653 1.00 0.00 C ATOM 867 O ILE B 42 -11.103 -9.553 -3.039 1.00 0.00 O ATOM 868 CB ILE B 42 -10.577 -6.313 -2.894 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.762 -6.490 -1.942 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.104 -6.008 -4.305 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.470 -5.145 -1.772 1.00 0.00 C ATOM 0 H ILE B 42 -8.335 -6.387 -3.933 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.555 -7.908 -1.883 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.955 -5.485 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.455 -7.233 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.417 -6.858 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.707 -5.100 -4.280 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.264 -5.867 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.716 -6.840 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.316 -5.262 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.773 -4.416 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.827 -4.796 -2.741 1.00 0.00 H new ATOM 883 N LEU B 43 -10.347 -8.698 -4.979 1.00 0.00 N ATOM 884 CA LEU B 43 -10.997 -9.718 -5.795 1.00 0.00 C ATOM 885 C LEU B 43 -10.454 -11.105 -5.448 1.00 0.00 C ATOM 886 O LEU B 43 -11.211 -12.073 -5.377 1.00 0.00 O ATOM 887 CB LEU B 43 -10.768 -9.423 -7.286 1.00 0.00 C ATOM 888 CG LEU B 43 -11.730 -8.318 -7.770 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.275 -7.813 -9.146 1.00 0.00 C ATOM 890 CD2 LEU B 43 -13.172 -8.867 -7.877 1.00 0.00 C ATOM 0 H LEU B 43 -9.818 -8.004 -5.507 1.00 0.00 H new ATOM 0 HA LEU B 43 -12.067 -9.700 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.736 -9.112 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.922 -10.330 -7.871 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.716 -7.499 -7.051 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.954 -7.032 -9.490 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.266 -7.409 -9.070 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.282 -8.639 -9.857 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.838 -8.075 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.195 -9.693 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.500 -9.220 -6.899 1.00 0.00 H new ATOM 1143 N VAL C 28 8.024 10.811 -1.676 1.00 0.00 N ATOM 1144 CA VAL C 28 8.589 10.191 -2.871 1.00 0.00 C ATOM 1145 C VAL C 28 8.979 8.746 -2.587 1.00 0.00 C ATOM 1146 O VAL C 28 8.753 7.856 -3.406 1.00 0.00 O ATOM 1147 CB VAL C 28 9.815 10.973 -3.348 1.00 0.00 C ATOM 1148 CG1 VAL C 28 9.381 12.363 -3.814 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.816 11.119 -2.203 1.00 0.00 C ATOM 0 HA VAL C 28 7.831 10.206 -3.655 1.00 0.00 H new ATOM 0 HB VAL C 28 10.283 10.435 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL C 28 10.253 12.921 -4.154 1.00 0.00 H new ATOM 0 HG12 VAL C 28 8.670 12.266 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL C 28 8.910 12.894 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.686 11.677 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL C 28 10.348 11.654 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.129 10.131 -1.865 1.00 0.00 H new ATOM 1159 N ALA C 29 9.568 8.523 -1.419 1.00 0.00 N ATOM 1160 CA ALA C 29 9.990 7.183 -1.031 1.00 0.00 C ATOM 1161 C ALA C 29 8.788 6.254 -0.927 1.00 0.00 C ATOM 1162 O ALA C 29 8.858 5.090 -1.320 1.00 0.00 O ATOM 1163 CB ALA C 29 10.710 7.231 0.319 1.00 0.00 C ATOM 0 H ALA C 29 9.763 9.247 -0.728 1.00 0.00 H new ATOM 0 HA ALA C 29 10.669 6.803 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.022 6.225 0.601 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.587 7.874 0.241 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.035 7.628 1.077 1.00 0.00 H new ATOM 1169 N ALA C 30 7.686 6.773 -0.399 1.00 0.00 N ATOM 1170 CA ALA C 30 6.480 5.970 -0.252 1.00 0.00 C ATOM 1171 C ALA C 30 5.986 5.491 -1.613 1.00 0.00 C ATOM 1172 O ALA C 30 5.593 4.335 -1.768 1.00 0.00 O ATOM 1173 CB ALA C 30 5.386 6.790 0.432 1.00 0.00 C ATOM 0 H ALA C 30 7.603 7.735 -0.069 1.00 0.00 H new ATOM 0 HA ALA C 30 6.718 5.101 0.361 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.488 6.182 0.538 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.729 7.104 1.418 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.160 7.669 -0.171 1.00 0.00 H new ATOM 1179 N ASN C 31 6.006 6.386 -2.595 1.00 0.00 N ATOM 1180 CA ASN C 31 5.557 6.034 -3.935 1.00 0.00 C ATOM 1181 C ASN C 31 6.458 4.960 -4.544 1.00 0.00 C ATOM 1182 O ASN C 31 5.978 4.017 -5.173 1.00 0.00 O ATOM 1183 CB ASN C 31 5.564 7.273 -4.830 1.00 0.00 C ATOM 1184 CG ASN C 31 4.669 8.352 -4.230 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.748 8.017 -3.369 1.00 0.00 O flip ATOM 1186 ND2 ASN C 31 4.814 9.532 -4.552 1.00 0.00 N flip ATOM 0 H ASN C 31 6.325 7.349 -2.490 1.00 0.00 H new ATOM 0 HA ASN C 31 4.543 5.641 -3.863 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.581 7.650 -4.936 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.215 7.013 -5.829 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.535 9.792 -5.225 1.00 0.00 H new ATOM 0 HD22 ASN C 31 4.213 10.249 -4.145 1.00 0.00 H new ATOM 1193 N ILE C 32 7.767 5.111 -4.350 1.00 0.00 N ATOM 1194 CA ILE C 32 8.726 4.147 -4.884 1.00 0.00 C ATOM 1195 C ILE C 32 8.543 2.784 -4.219 1.00 0.00 C ATOM 1196 O ILE C 32 8.554 1.751 -4.887 1.00 0.00 O ATOM 1197 CB ILE C 32 10.153 4.655 -4.649 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.393 5.903 -5.503 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.163 3.571 -5.044 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.690 6.582 -5.063 1.00 0.00 C ATOM 0 H ILE C 32 8.185 5.884 -3.832 1.00 0.00 H new ATOM 0 HA ILE C 32 8.552 4.036 -5.954 1.00 0.00 H new ATOM 0 HB ILE C 32 10.279 4.898 -3.594 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.453 5.629 -6.556 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.556 6.593 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.175 3.938 -4.875 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.995 2.679 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.038 3.324 -6.098 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.860 7.470 -5.671 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.613 6.870 -4.014 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.523 5.891 -5.189 1.00 0.00 H new ATOM 1212 N ILE C 33 8.376 2.792 -2.902 1.00 0.00 N ATOM 1213 CA ILE C 33 8.192 1.554 -2.151 1.00 0.00 C ATOM 1214 C ILE C 33 6.904 0.853 -2.576 1.00 0.00 C ATOM 1215 O ILE C 33 6.880 -0.365 -2.753 1.00 0.00 O ATOM 1216 CB ILE C 33 8.155 1.859 -0.649 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.537 2.326 -0.184 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.765 0.600 0.127 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.423 2.937 1.212 1.00 0.00 C ATOM 0 H ILE C 33 8.364 3.638 -2.333 1.00 0.00 H new ATOM 0 HA ILE C 33 9.030 0.890 -2.362 1.00 0.00 H new ATOM 0 HB ILE C 33 7.421 2.643 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.231 1.486 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.939 3.060 -0.882 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.740 0.823 1.194 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.780 0.264 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.497 -0.186 -0.063 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.406 3.270 1.545 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.742 3.788 1.182 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.039 2.189 1.906 1.00 0.00 H new ATOM 1231 N GLY C 34 5.832 1.623 -2.732 1.00 0.00 N ATOM 1232 CA GLY C 34 4.549 1.051 -3.130 1.00 0.00 C ATOM 1233 C GLY C 34 4.659 0.343 -4.478 1.00 0.00 C ATOM 1234 O GLY C 34 4.132 -0.754 -4.655 1.00 0.00 O ATOM 0 H GLY C 34 5.824 2.633 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.211 0.345 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.798 1.839 -3.190 1.00 0.00 H new ATOM 1238 N ILE C 35 5.353 0.974 -5.422 1.00 0.00 N ATOM 1239 CA ILE C 35 5.529 0.388 -6.746 1.00 0.00 C ATOM 1240 C ILE C 35 6.333 -0.908 -6.650 1.00 0.00 C ATOM 1241 O ILE C 35 6.002 -1.908 -7.291 1.00 0.00 O ATOM 1242 CB ILE C 35 6.249 1.379 -7.664 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.328 2.570 -7.935 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.601 0.698 -8.993 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.118 3.690 -8.616 1.00 0.00 C ATOM 0 H ILE C 35 5.799 1.883 -5.296 1.00 0.00 H new ATOM 0 HA ILE C 35 4.547 0.163 -7.162 1.00 0.00 H new ATOM 0 HB ILE C 35 7.165 1.719 -7.182 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.496 2.262 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.900 2.931 -7.000 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.113 1.409 -9.642 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.253 -0.155 -8.803 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.688 0.356 -9.480 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.458 4.536 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.935 4.006 -7.967 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.525 3.327 -9.560 1.00 0.00 H new ATOM 1257 N LEU C 36 7.395 -0.878 -5.846 1.00 0.00 N ATOM 1258 CA LEU C 36 8.251 -2.048 -5.674 1.00 0.00 C ATOM 1259 C LEU C 36 7.465 -3.203 -5.069 1.00 0.00 C ATOM 1260 O LEU C 36 7.624 -4.355 -5.472 1.00 0.00 O ATOM 1261 CB LEU C 36 9.452 -1.700 -4.781 1.00 0.00 C ATOM 1262 CG LEU C 36 10.375 -2.943 -4.608 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.847 -2.521 -4.666 1.00 0.00 C ATOM 1264 CD2 LEU C 36 10.121 -3.618 -3.252 1.00 0.00 C ATOM 0 H LEU C 36 7.681 -0.061 -5.307 1.00 0.00 H new ATOM 0 HA LEU C 36 8.616 -2.355 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.016 -0.878 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.103 -1.359 -3.806 1.00 0.00 H new ATOM 0 HG LEU C 36 10.152 -3.640 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.482 -3.398 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU C 36 12.054 -2.054 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.053 -1.810 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.775 -4.484 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU C 36 10.327 -2.910 -2.449 1.00 0.00 H new ATOM 0 HD23 LEU C 36 9.081 -3.939 -3.195 1.00 0.00 H new ATOM 1276 N HIS C 37 6.610 -2.889 -4.104 1.00 0.00 N ATOM 1277 CA HIS C 37 5.805 -3.915 -3.458 1.00 0.00 C ATOM 1278 C HIS C 37 4.952 -4.637 -4.492 1.00 0.00 C ATOM 1279 O HIS C 37 4.823 -5.862 -4.459 1.00 0.00 O ATOM 1280 CB HIS C 37 4.891 -3.280 -2.411 1.00 0.00 C ATOM 1281 CG HIS C 37 4.088 -4.355 -1.736 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.183 -4.602 -0.379 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.185 -5.268 -2.216 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.362 -5.627 -0.094 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.729 -6.068 -1.178 1.00 0.00 N ATOM 0 H HIS C 37 6.458 -1.943 -3.755 1.00 0.00 H new ATOM 0 HA HIS C 37 6.473 -4.628 -2.975 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.484 -2.737 -1.675 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.227 -2.556 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.875 -5.352 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.232 -6.042 0.894 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.054 -6.830 -1.234 1.00 0.00 H new ATOM 1293 N LEU C 38 4.367 -3.873 -5.409 1.00 0.00 N ATOM 1294 CA LEU C 38 3.518 -4.451 -6.447 1.00 0.00 C ATOM 1295 C LEU C 38 4.305 -5.413 -7.326 1.00 0.00 C ATOM 1296 O LEU C 38 3.782 -6.446 -7.737 1.00 0.00 O ATOM 1297 CB LEU C 38 2.886 -3.332 -7.306 1.00 0.00 C ATOM 1298 CG LEU C 38 1.548 -2.874 -6.693 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.163 -1.502 -7.251 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.434 -3.882 -7.041 1.00 0.00 C ATOM 0 H LEU C 38 4.464 -2.859 -5.456 1.00 0.00 H new ATOM 0 HA LEU C 38 2.722 -5.014 -5.960 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.571 -2.486 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.723 -3.693 -8.322 1.00 0.00 H new ATOM 0 HG LEU C 38 1.664 -2.815 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.216 -1.184 -6.814 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.939 -0.778 -7.003 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.059 -1.566 -8.334 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.507 -3.549 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.328 -3.947 -8.124 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.693 -4.863 -6.642 1.00 0.00 H new ATOM 1312 N ILE C 39 5.551 -5.077 -7.625 1.00 0.00 N ATOM 1313 CA ILE C 39 6.360 -5.942 -8.473 1.00 0.00 C ATOM 1314 C ILE C 39 6.531 -7.314 -7.823 1.00 0.00 C ATOM 1315 O ILE C 39 6.385 -8.343 -8.478 1.00 0.00 O ATOM 1316 CB ILE C 39 7.733 -5.305 -8.694 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.564 -4.025 -9.522 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.647 -6.285 -9.441 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.886 -3.250 -9.581 1.00 0.00 C ATOM 0 H ILE C 39 6.017 -4.230 -7.301 1.00 0.00 H new ATOM 0 HA ILE C 39 5.856 -6.067 -9.431 1.00 0.00 H new ATOM 0 HB ILE C 39 8.183 -5.064 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.237 -4.277 -10.531 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.787 -3.399 -9.082 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.623 -5.826 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.763 -7.195 -8.852 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.205 -6.531 -10.406 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.751 -2.344 -10.172 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.196 -2.982 -8.571 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.653 -3.873 -10.042 1.00 0.00 H new ATOM 1331 N LEU C 40 6.847 -7.332 -6.535 1.00 0.00 N ATOM 1332 CA LEU C 40 7.027 -8.603 -5.842 1.00 0.00 C ATOM 1333 C LEU C 40 5.677 -9.286 -5.577 1.00 0.00 C ATOM 1334 O LEU C 40 5.538 -10.493 -5.772 1.00 0.00 O ATOM 1335 CB LEU C 40 7.772 -8.381 -4.522 1.00 0.00 C ATOM 1336 CG LEU C 40 8.045 -9.725 -3.828 1.00 0.00 C ATOM 1337 CD1 LEU C 40 8.904 -10.635 -4.730 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.782 -9.453 -2.515 1.00 0.00 C ATOM 0 H LEU C 40 6.982 -6.502 -5.958 1.00 0.00 H new ATOM 0 HA LEU C 40 7.618 -9.258 -6.482 1.00 0.00 H new ATOM 0 HB2 LEU C 40 8.713 -7.864 -4.711 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.182 -7.740 -3.867 1.00 0.00 H new ATOM 0 HG LEU C 40 7.100 -10.232 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU C 40 9.087 -11.582 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU C 40 8.377 -10.821 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.855 -10.146 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.984 -10.397 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.723 -8.945 -2.725 1.00 0.00 H new ATOM 0 HD23 LEU C 40 8.164 -8.823 -1.875 1.00 0.00 H new ATOM 1350 N TRP C 41 4.695 -8.510 -5.120 1.00 0.00 N ATOM 1351 CA TRP C 41 3.369 -9.053 -4.813 1.00 0.00 C ATOM 1352 C TRP C 41 2.660 -9.575 -6.064 1.00 0.00 C ATOM 1353 O TRP C 41 2.085 -10.664 -6.047 1.00 0.00 O ATOM 1354 CB TRP C 41 2.516 -7.973 -4.138 1.00 0.00 C ATOM 1355 CG TRP C 41 1.107 -8.455 -3.969 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.649 -9.204 -2.937 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.036 -8.201 -4.827 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.702 -9.441 -3.124 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.170 -8.838 -4.273 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.199 -7.487 -6.025 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.419 -8.767 -4.888 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.457 -7.411 -6.642 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.560 -8.048 -6.074 1.00 0.00 C ATOM 0 H TRP C 41 4.790 -7.508 -4.954 1.00 0.00 H new ATOM 0 HA TRP C 41 3.501 -9.898 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.940 -7.719 -3.166 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.527 -7.063 -4.738 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.240 -9.558 -2.106 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.280 -9.993 -2.490 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.650 -6.993 -6.475 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.271 -9.265 -4.449 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.572 -6.856 -7.562 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.525 -7.984 -6.554 1.00 0.00 H new ATOM 1374 N ILE C 42 2.688 -8.797 -7.139 1.00 0.00 N ATOM 1375 CA ILE C 42 2.023 -9.205 -8.375 1.00 0.00 C ATOM 1376 C ILE C 42 2.665 -10.477 -8.923 1.00 0.00 C ATOM 1377 O ILE C 42 1.977 -11.361 -9.431 1.00 0.00 O ATOM 1378 CB ILE C 42 2.107 -8.080 -9.415 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.131 -8.359 -10.563 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.532 -7.980 -9.977 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.069 -7.132 -11.472 1.00 0.00 C ATOM 0 H ILE C 42 3.156 -7.892 -7.183 1.00 0.00 H new ATOM 0 HA ILE C 42 0.974 -9.407 -8.159 1.00 0.00 H new ATOM 0 HB ILE C 42 1.845 -7.139 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.456 -9.232 -11.130 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.141 -8.586 -10.168 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.577 -7.178 -10.714 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.229 -7.768 -9.166 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.803 -8.923 -10.451 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.377 -7.321 -12.292 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.725 -6.271 -10.898 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.061 -6.927 -11.875 1.00 0.00 H new ATOM 1393 N LEU C 43 3.988 -10.564 -8.806 1.00 0.00 N ATOM 1394 CA LEU C 43 4.710 -11.737 -9.286 1.00 0.00 C ATOM 1395 C LEU C 43 4.255 -12.990 -8.535 1.00 0.00 C ATOM 1396 O LEU C 43 4.096 -14.054 -9.133 1.00 0.00 O ATOM 1397 CB LEU C 43 6.223 -11.534 -9.097 1.00 0.00 C ATOM 1398 CG LEU C 43 6.789 -10.639 -10.217 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.205 -10.187 -9.841 1.00 0.00 C ATOM 1400 CD2 LEU C 43 6.834 -11.411 -11.556 1.00 0.00 C ATOM 0 H LEU C 43 4.576 -9.843 -8.387 1.00 0.00 H new ATOM 0 HA LEU C 43 4.495 -11.869 -10.346 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.417 -11.078 -8.126 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.729 -12.499 -9.103 1.00 0.00 H new ATOM 0 HG LEU C 43 6.141 -9.770 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.607 -9.554 -10.632 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.172 -9.625 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU C 43 8.845 -11.061 -9.715 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.236 -10.764 -12.336 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.471 -12.289 -11.449 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.827 -11.725 -11.829 1.00 0.00 H new ATOM 1653 N VAL D 28 2.561 11.723 6.431 1.00 0.00 N ATOM 1654 CA VAL D 28 3.710 11.096 7.077 1.00 0.00 C ATOM 1655 C VAL D 28 3.312 9.754 7.679 1.00 0.00 C ATOM 1656 O VAL D 28 4.051 8.774 7.584 1.00 0.00 O ATOM 1657 CB VAL D 28 4.274 12.008 8.170 1.00 0.00 C ATOM 1658 CG1 VAL D 28 4.846 13.275 7.530 1.00 0.00 C ATOM 1659 CG2 VAL D 28 3.161 12.396 9.142 1.00 0.00 C ATOM 0 HA VAL D 28 4.480 10.933 6.323 1.00 0.00 H new ATOM 0 HB VAL D 28 5.060 11.479 8.709 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.248 13.925 8.307 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.642 13.005 6.836 1.00 0.00 H new ATOM 0 HG13 VAL D 28 4.056 13.799 6.991 1.00 0.00 H new ATOM 0 HG21 VAL D 28 3.566 13.045 9.918 1.00 0.00 H new ATOM 0 HG22 VAL D 28 2.374 12.923 8.602 1.00 0.00 H new ATOM 0 HG23 VAL D 28 2.748 11.497 9.600 1.00 0.00 H new ATOM 1669 N ALA D 29 2.140 9.722 8.299 1.00 0.00 N ATOM 1670 CA ALA D 29 1.646 8.496 8.917 1.00 0.00 C ATOM 1671 C ALA D 29 1.447 7.412 7.866 1.00 0.00 C ATOM 1672 O ALA D 29 1.743 6.244 8.106 1.00 0.00 O ATOM 1673 CB ALA D 29 0.319 8.765 9.628 1.00 0.00 C ATOM 0 H ALA D 29 1.516 10.524 8.388 1.00 0.00 H new ATOM 0 HA ALA D 29 2.384 8.155 9.643 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.042 7.844 10.086 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.466 9.521 10.400 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.415 9.122 8.906 1.00 0.00 H new ATOM 1679 N ALA D 30 0.944 7.806 6.702 1.00 0.00 N ATOM 1680 CA ALA D 30 0.710 6.848 5.630 1.00 0.00 C ATOM 1681 C ALA D 30 2.016 6.189 5.208 1.00 0.00 C ATOM 1682 O ALA D 30 2.070 4.977 4.991 1.00 0.00 O ATOM 1683 CB ALA D 30 0.080 7.552 4.428 1.00 0.00 C ATOM 0 H ALA D 30 0.693 8.769 6.478 1.00 0.00 H new ATOM 0 HA ALA D 30 0.030 6.079 5.997 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.091 6.828 3.631 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.870 7.998 4.724 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.751 8.333 4.071 1.00 0.00 H new ATOM 1689 N ASN D 31 3.072 6.989 5.092 1.00 0.00 N ATOM 1690 CA ASN D 31 4.370 6.462 4.694 1.00 0.00 C ATOM 1691 C ASN D 31 4.903 5.487 5.742 1.00 0.00 C ATOM 1692 O ASN D 31 5.444 4.433 5.405 1.00 0.00 O ATOM 1693 CB ASN D 31 5.365 7.610 4.512 1.00 0.00 C ATOM 1694 CG ASN D 31 4.842 8.590 3.468 1.00 0.00 C ATOM 1695 OD1 ASN D 31 3.940 8.197 2.612 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 5.267 9.745 3.433 1.00 0.00 N flip ATOM 0 H ASN D 31 3.054 7.994 5.266 1.00 0.00 H new ATOM 0 HA ASN D 31 4.249 5.930 3.750 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.518 8.124 5.461 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.333 7.218 4.202 1.00 0.00 H new ATOM 0 HD21 ASN D 31 5.972 10.049 4.104 1.00 0.00 H new ATOM 0 HD22 ASN D 31 4.914 10.397 2.733 1.00 0.00 H new ATOM 1703 N ILE D 32 4.746 5.844 7.014 1.00 0.00 N ATOM 1704 CA ILE D 32 5.214 4.992 8.105 1.00 0.00 C ATOM 1705 C ILE D 32 4.435 3.678 8.131 1.00 0.00 C ATOM 1706 O ILE D 32 5.014 2.603 8.293 1.00 0.00 O ATOM 1707 CB ILE D 32 5.049 5.722 9.442 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.009 6.914 9.486 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.370 4.770 10.598 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.652 7.812 10.675 1.00 0.00 C ATOM 0 H ILE D 32 4.301 6.712 7.314 1.00 0.00 H new ATOM 0 HA ILE D 32 6.269 4.768 7.944 1.00 0.00 H new ATOM 0 HB ILE D 32 4.021 6.070 9.539 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.037 6.564 9.577 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.946 7.480 8.557 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.251 5.295 11.546 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.691 3.918 10.567 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.397 4.418 10.505 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.335 8.661 10.708 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.629 8.173 10.564 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.738 7.242 11.600 1.00 0.00 H new ATOM 1722 N ILE D 33 3.120 3.775 7.968 1.00 0.00 N ATOM 1723 CA ILE D 33 2.264 2.593 7.975 1.00 0.00 C ATOM 1724 C ILE D 33 2.608 1.674 6.803 1.00 0.00 C ATOM 1725 O ILE D 33 2.682 0.455 6.963 1.00 0.00 O ATOM 1726 CB ILE D 33 0.793 3.016 7.900 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.394 3.719 9.200 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.092 1.784 7.704 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.951 4.423 9.001 1.00 0.00 C ATOM 0 H ILE D 33 2.625 4.656 7.830 1.00 0.00 H new ATOM 0 HA ILE D 33 2.432 2.045 8.902 1.00 0.00 H new ATOM 0 HB ILE D 33 0.661 3.696 7.058 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.322 2.995 10.011 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.158 4.443 9.485 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.137 2.091 7.651 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.185 1.280 6.778 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.044 1.101 8.543 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.239 4.925 9.925 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.862 5.158 8.201 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.711 3.688 8.736 1.00 0.00 H new ATOM 1741 N GLY D 34 2.809 2.260 5.627 1.00 0.00 N ATOM 1742 CA GLY D 34 3.135 1.473 4.444 1.00 0.00 C ATOM 1743 C GLY D 34 4.421 0.676 4.650 1.00 0.00 C ATOM 1744 O GLY D 34 4.499 -0.498 4.291 1.00 0.00 O ATOM 0 H GLY D 34 2.753 3.266 5.469 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.314 0.792 4.219 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.247 2.133 3.584 1.00 0.00 H new ATOM 1748 N ILE D 35 5.426 1.318 5.239 1.00 0.00 N ATOM 1749 CA ILE D 35 6.698 0.654 5.493 1.00 0.00 C ATOM 1750 C ILE D 35 6.509 -0.496 6.483 1.00 0.00 C ATOM 1751 O ILE D 35 7.056 -1.586 6.299 1.00 0.00 O ATOM 1752 CB ILE D 35 7.712 1.658 6.053 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.064 2.673 4.963 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.982 0.925 6.497 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.852 3.834 5.572 1.00 0.00 C ATOM 0 H ILE D 35 5.384 2.290 5.547 1.00 0.00 H new ATOM 0 HA ILE D 35 7.074 0.252 4.552 1.00 0.00 H new ATOM 0 HB ILE D 35 7.279 2.171 6.912 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.653 2.192 4.182 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.154 3.046 4.493 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.698 1.645 6.894 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.731 0.199 7.270 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.422 0.409 5.643 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.100 4.554 4.792 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.248 4.322 6.337 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.770 3.455 6.021 1.00 0.00 H new ATOM 1767 N LEU D 36 5.731 -0.240 7.533 1.00 0.00 N ATOM 1768 CA LEU D 36 5.476 -1.252 8.554 1.00 0.00 C ATOM 1769 C LEU D 36 4.761 -2.453 7.952 1.00 0.00 C ATOM 1770 O LEU D 36 5.068 -3.599 8.283 1.00 0.00 O ATOM 1771 CB LEU D 36 4.635 -0.655 9.694 1.00 0.00 C ATOM 1772 CG LEU D 36 4.374 -1.727 10.793 1.00 0.00 C ATOM 1773 CD1 LEU D 36 4.491 -1.099 12.185 1.00 0.00 C ATOM 1774 CD2 LEU D 36 2.961 -2.313 10.648 1.00 0.00 C ATOM 0 H LEU D 36 5.269 0.654 7.698 1.00 0.00 H new ATOM 0 HA LEU D 36 6.433 -1.584 8.956 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.153 0.201 10.127 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.686 -0.288 9.302 1.00 0.00 H new ATOM 0 HG LEU D 36 5.117 -2.516 10.673 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.306 -1.859 12.944 1.00 0.00 H new ATOM 0 HD12 LEU D 36 5.493 -0.691 12.317 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.757 -0.299 12.286 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.796 -3.060 11.424 1.00 0.00 H new ATOM 0 HD22 LEU D 36 2.224 -1.516 10.749 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.859 -2.779 9.668 1.00 0.00 H new ATOM 1786 N HIS D 37 3.812 -2.189 7.067 1.00 0.00 N ATOM 1787 CA HIS D 37 3.067 -3.263 6.427 1.00 0.00 C ATOM 1788 C HIS D 37 4.021 -4.192 5.686 1.00 0.00 C ATOM 1789 O HIS D 37 3.883 -5.413 5.744 1.00 0.00 O ATOM 1790 CB HIS D 37 2.063 -2.683 5.434 1.00 0.00 C ATOM 1791 CG HIS D 37 1.281 -3.802 4.806 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.089 -3.911 4.943 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.666 -4.877 4.045 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.476 -5.016 4.282 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.554 -5.640 3.717 1.00 0.00 N ATOM 0 H HIS D 37 3.541 -1.249 6.777 1.00 0.00 H new ATOM 0 HA HIS D 37 2.537 -3.824 7.196 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.389 -1.994 5.942 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.583 -2.112 4.665 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.681 -5.096 3.747 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.499 -5.356 4.218 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.531 -6.495 3.162 1.00 0.00 H new ATOM 1803 N LEU D 38 4.987 -3.604 4.989 1.00 0.00 N ATOM 1804 CA LEU D 38 5.959 -4.387 4.229 1.00 0.00 C ATOM 1805 C LEU D 38 6.768 -5.294 5.146 1.00 0.00 C ATOM 1806 O LEU D 38 7.082 -6.423 4.779 1.00 0.00 O ATOM 1807 CB LEU D 38 6.896 -3.451 3.434 1.00 0.00 C ATOM 1808 CG LEU D 38 6.299 -3.145 2.043 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.963 -1.897 1.458 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.542 -4.332 1.091 1.00 0.00 C ATOM 0 H LEU D 38 5.119 -2.594 4.933 1.00 0.00 H new ATOM 0 HA LEU D 38 5.413 -5.018 3.527 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.045 -2.522 3.985 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.875 -3.916 3.322 1.00 0.00 H new ATOM 0 HG LEU D 38 5.227 -2.978 2.152 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.539 -1.685 0.477 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.789 -1.048 2.120 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.035 -2.067 1.360 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.117 -4.107 0.113 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.614 -4.504 0.990 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.067 -5.226 1.495 1.00 0.00 H new ATOM 1822 N ILE D 39 7.117 -4.805 6.327 1.00 0.00 N ATOM 1823 CA ILE D 39 7.903 -5.608 7.252 1.00 0.00 C ATOM 1824 C ILE D 39 7.143 -6.879 7.630 1.00 0.00 C ATOM 1825 O ILE D 39 7.708 -7.972 7.635 1.00 0.00 O ATOM 1826 CB ILE D 39 8.203 -4.797 8.513 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.131 -3.631 8.149 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.878 -5.690 9.561 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.279 -2.678 9.341 1.00 0.00 C ATOM 0 H ILE D 39 6.874 -3.873 6.663 1.00 0.00 H new ATOM 0 HA ILE D 39 8.838 -5.887 6.767 1.00 0.00 H new ATOM 0 HB ILE D 39 7.272 -4.410 8.928 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.109 -4.013 7.856 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.730 -3.092 7.291 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.089 -5.105 10.456 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.215 -6.517 9.815 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.811 -6.084 9.157 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.940 -1.855 9.069 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.301 -2.282 9.614 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.702 -3.218 10.188 1.00 0.00 H new ATOM 1841 N LEU D 40 5.865 -6.740 7.950 1.00 0.00 N ATOM 1842 CA LEU D 40 5.069 -7.907 8.322 1.00 0.00 C ATOM 1843 C LEU D 40 4.728 -8.757 7.092 1.00 0.00 C ATOM 1844 O LEU D 40 4.819 -9.983 7.132 1.00 0.00 O ATOM 1845 CB LEU D 40 3.785 -7.465 9.031 1.00 0.00 C ATOM 1846 CG LEU D 40 2.987 -8.688 9.503 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.823 -9.534 10.486 1.00 0.00 C ATOM 1848 CD2 LEU D 40 1.713 -8.198 10.197 1.00 0.00 C ATOM 0 H LEU D 40 5.363 -5.852 7.961 1.00 0.00 H new ATOM 0 HA LEU D 40 5.661 -8.519 9.003 1.00 0.00 H new ATOM 0 HB2 LEU D 40 4.032 -6.833 9.884 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.177 -6.865 8.355 1.00 0.00 H new ATOM 0 HG LEU D 40 2.735 -9.311 8.645 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.241 -10.397 10.810 1.00 0.00 H new ATOM 0 HD12 LEU D 40 4.732 -9.875 9.991 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.088 -8.929 11.353 1.00 0.00 H new ATOM 0 HD21 LEU D 40 1.133 -9.055 10.539 1.00 0.00 H new ATOM 0 HD22 LEU D 40 1.980 -7.576 11.051 1.00 0.00 H new ATOM 0 HD23 LEU D 40 1.118 -7.614 9.495 1.00 0.00 H new ATOM 1860 N TRP D 41 4.319 -8.098 6.007 1.00 0.00 N ATOM 1861 CA TRP D 41 3.945 -8.804 4.779 1.00 0.00 C ATOM 1862 C TRP D 41 5.136 -9.531 4.150 1.00 0.00 C ATOM 1863 O TRP D 41 5.019 -10.689 3.746 1.00 0.00 O ATOM 1864 CB TRP D 41 3.348 -7.808 3.776 1.00 0.00 C ATOM 1865 CG TRP D 41 3.117 -8.478 2.458 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.020 -9.198 2.121 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.973 -8.470 1.283 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.165 -9.650 0.821 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.351 -9.221 0.263 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.222 -7.890 1.013 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.950 -9.388 -0.985 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.823 -8.054 -0.243 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.187 -8.800 -1.237 1.00 0.00 C ATOM 0 H TRP D 41 4.238 -7.083 5.952 1.00 0.00 H new ATOM 0 HA TRP D 41 3.203 -9.559 5.040 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.408 -7.412 4.161 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.022 -6.961 3.648 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.172 -9.388 2.762 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.480 -10.229 0.336 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.723 -7.314 1.777 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.458 -9.969 -1.751 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.783 -7.601 -0.443 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.655 -8.921 -2.203 1.00 0.00 H new ATOM 1884 N ILE D 42 6.272 -8.852 4.053 1.00 0.00 N ATOM 1885 CA ILE D 42 7.456 -9.457 3.452 1.00 0.00 C ATOM 1886 C ILE D 42 7.906 -10.662 4.273 1.00 0.00 C ATOM 1887 O ILE D 42 8.324 -11.680 3.722 1.00 0.00 O ATOM 1888 CB ILE D 42 8.588 -8.423 3.361 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.691 -8.941 2.432 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.182 -8.161 4.753 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.698 -7.818 2.183 1.00 0.00 C ATOM 0 H ILE D 42 6.400 -7.894 4.378 1.00 0.00 H new ATOM 0 HA ILE D 42 7.207 -9.794 2.446 1.00 0.00 H new ATOM 0 HB ILE D 42 8.180 -7.494 2.964 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.189 -9.801 2.881 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.262 -9.278 1.489 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.983 -7.426 4.674 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.404 -7.780 5.415 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.581 -9.091 5.159 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.487 -8.177 1.523 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.192 -6.972 1.717 1.00 0.00 H new ATOM 0 HD13 ILE D 42 11.134 -7.503 3.131 1.00 0.00 H new ATOM 1903 N LEU D 43 7.810 -10.541 5.595 1.00 0.00 N ATOM 1904 CA LEU D 43 8.204 -11.631 6.482 1.00 0.00 C ATOM 1905 C LEU D 43 7.342 -12.869 6.221 1.00 0.00 C ATOM 1906 O LEU D 43 7.849 -13.992 6.218 1.00 0.00 O ATOM 1907 CB LEU D 43 8.057 -11.190 7.949 1.00 0.00 C ATOM 1908 CG LEU D 43 9.258 -10.320 8.370 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.944 -9.633 9.706 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.526 -11.189 8.525 1.00 0.00 C ATOM 0 H LEU D 43 7.466 -9.707 6.072 1.00 0.00 H new ATOM 0 HA LEU D 43 9.246 -11.883 6.286 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.131 -10.629 8.076 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.990 -12.066 8.594 1.00 0.00 H new ATOM 0 HG LEU D 43 9.438 -9.570 7.600 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.792 -9.017 10.006 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.061 -9.005 9.593 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.757 -10.389 10.469 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.365 -10.559 8.823 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.355 -11.949 9.287 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.754 -11.672 7.575 1.00 0.00 H new