USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=1 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= -0.166 X(o=-0.17,f=-0.42) USER MOD Single : A 37 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -0.588 X(o=-0.59,f=-0.43) USER MOD Single : B 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.43) USER MOD Single : C 37 HIS : no HD1:sc= -10.1! C(o=-10!,f=-12!) USER MOD Single : D 31 ASN :FLIP amide:sc= -0.401 F(o=-1.6!,f=-0.4) USER MOD Single : D 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.672 12.630 1.253 1.00 0.00 N ATOM 124 CA VAL A 28 -6.410 12.203 2.436 1.00 0.00 C ATOM 125 C VAL A 28 -7.019 10.820 2.217 1.00 0.00 C ATOM 126 O VAL A 28 -6.935 9.951 3.084 1.00 0.00 O ATOM 127 CB VAL A 28 -7.521 13.211 2.748 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.385 12.689 3.898 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.895 14.549 3.151 1.00 0.00 C ATOM 0 HA VAL A 28 -5.718 12.153 3.277 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.142 13.348 1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.174 13.409 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.832 11.736 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.766 12.549 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.684 15.268 3.373 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.273 14.408 4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.282 14.925 2.332 1.00 0.00 H new ATOM 139 N ALA A 29 -7.629 10.624 1.052 1.00 0.00 N ATOM 140 CA ALA A 29 -8.247 9.343 0.731 1.00 0.00 C ATOM 141 C ALA A 29 -7.199 8.240 0.664 1.00 0.00 C ATOM 142 O ALA A 29 -7.443 7.112 1.088 1.00 0.00 O ATOM 143 CB ALA A 29 -8.976 9.431 -0.610 1.00 0.00 C ATOM 0 H ALA A 29 -7.708 11.330 0.320 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.961 9.105 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.434 8.469 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.750 10.197 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.265 9.691 -1.394 1.00 0.00 H new ATOM 149 N ALA A 30 -6.029 8.569 0.129 1.00 0.00 N ATOM 150 CA ALA A 30 -4.958 7.589 0.007 1.00 0.00 C ATOM 151 C ALA A 30 -4.606 7.005 1.371 1.00 0.00 C ATOM 152 O ALA A 30 -4.454 5.792 1.514 1.00 0.00 O ATOM 153 CB ALA A 30 -3.721 8.244 -0.604 1.00 0.00 C ATOM 0 H ALA A 30 -5.799 9.498 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.301 6.783 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.924 7.505 -0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.966 8.633 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.389 9.062 0.036 1.00 0.00 H new ATOM 159 N ASN A 31 -4.478 7.870 2.370 1.00 0.00 N ATOM 160 CA ASN A 31 -4.144 7.415 3.714 1.00 0.00 C ATOM 161 C ASN A 31 -5.251 6.521 4.267 1.00 0.00 C ATOM 162 O ASN A 31 -4.982 5.485 4.876 1.00 0.00 O ATOM 163 CB ASN A 31 -3.953 8.620 4.638 1.00 0.00 C ATOM 164 CG ASN A 31 -3.660 8.148 6.058 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.509 8.276 6.942 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.506 7.605 6.330 1.00 0.00 N ATOM 0 H ASN A 31 -4.599 8.879 2.277 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.218 6.842 3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.133 9.240 4.276 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.849 9.240 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.304 7.285 7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.806 7.501 5.596 1.00 0.00 H new ATOM 173 N ILE A 32 -6.498 6.925 4.045 1.00 0.00 N ATOM 174 CA ILE A 32 -7.642 6.154 4.517 1.00 0.00 C ATOM 175 C ILE A 32 -7.707 4.801 3.813 1.00 0.00 C ATOM 176 O ILE A 32 -7.968 3.774 4.439 1.00 0.00 O ATOM 177 CB ILE A 32 -8.940 6.932 4.268 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.961 8.178 5.156 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.144 6.050 4.608 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.104 9.097 4.720 1.00 0.00 C ATOM 0 H ILE A 32 -6.741 7.779 3.543 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.524 5.985 5.587 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.990 7.225 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.089 7.891 6.200 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.009 8.705 5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.064 6.606 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.131 5.159 3.980 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.095 5.756 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.119 9.984 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.956 9.394 3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.052 8.568 4.815 1.00 0.00 H new ATOM 192 N ILE A 33 -7.477 4.813 2.504 1.00 0.00 N ATOM 193 CA ILE A 33 -7.526 3.589 1.716 1.00 0.00 C ATOM 194 C ILE A 33 -6.452 2.607 2.191 1.00 0.00 C ATOM 195 O ILE A 33 -6.712 1.413 2.335 1.00 0.00 O ATOM 196 CB ILE A 33 -7.307 3.921 0.231 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.506 4.737 -0.317 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.142 2.625 -0.571 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.645 3.815 -0.776 1.00 0.00 C ATOM 0 H ILE A 33 -7.256 5.653 1.969 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.505 3.126 1.844 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.402 4.520 0.131 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.872 5.413 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.177 5.355 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.987 2.865 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.282 2.071 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.040 2.016 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.471 4.417 -1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.284 3.156 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.990 3.216 0.067 1.00 0.00 H new ATOM 211 N GLY A 34 -5.247 3.116 2.429 1.00 0.00 N ATOM 212 CA GLY A 34 -4.149 2.268 2.885 1.00 0.00 C ATOM 213 C GLY A 34 -4.460 1.657 4.247 1.00 0.00 C ATOM 214 O GLY A 34 -4.261 0.461 4.463 1.00 0.00 O ATOM 0 H GLY A 34 -5.007 4.101 2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.971 1.475 2.159 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.233 2.855 2.946 1.00 0.00 H new ATOM 218 N ILE A 35 -4.952 2.485 5.161 1.00 0.00 N ATOM 219 CA ILE A 35 -5.291 2.021 6.500 1.00 0.00 C ATOM 220 C ILE A 35 -6.429 1.002 6.438 1.00 0.00 C ATOM 221 O ILE A 35 -6.399 -0.020 7.126 1.00 0.00 O ATOM 222 CB ILE A 35 -5.699 3.208 7.380 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.478 4.106 7.614 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.213 2.696 8.728 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.927 5.425 8.247 1.00 0.00 C ATOM 0 H ILE A 35 -5.124 3.477 5.000 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.414 1.541 6.934 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.486 3.775 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.763 3.603 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.969 4.299 6.670 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.502 3.542 9.352 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.077 2.051 8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.426 2.130 9.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.059 6.063 8.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.626 5.930 7.580 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.417 5.223 9.200 1.00 0.00 H new ATOM 237 N LEU A 36 -7.431 1.290 5.614 1.00 0.00 N ATOM 238 CA LEU A 36 -8.576 0.394 5.475 1.00 0.00 C ATOM 239 C LEU A 36 -8.121 -0.968 4.971 1.00 0.00 C ATOM 240 O LEU A 36 -8.593 -2.005 5.442 1.00 0.00 O ATOM 241 CB LEU A 36 -9.596 0.993 4.497 1.00 0.00 C ATOM 242 CG LEU A 36 -10.805 0.055 4.337 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.486 -0.177 5.698 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.801 0.692 3.364 1.00 0.00 C ATOM 0 H LEU A 36 -7.475 2.129 5.036 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.044 0.272 6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.928 1.966 4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.126 1.158 3.528 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.468 -0.906 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.340 -0.842 5.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.774 -0.629 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.827 0.776 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.662 0.035 3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.130 1.653 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.320 0.841 2.397 1.00 0.00 H new ATOM 256 N HIS A 37 -7.204 -0.962 4.013 1.00 0.00 N ATOM 257 CA HIS A 37 -6.697 -2.208 3.456 1.00 0.00 C ATOM 258 C HIS A 37 -6.076 -3.059 4.555 1.00 0.00 C ATOM 259 O HIS A 37 -6.255 -4.276 4.587 1.00 0.00 O ATOM 260 CB HIS A 37 -5.641 -1.919 2.390 1.00 0.00 C ATOM 261 CG HIS A 37 -5.173 -3.218 1.800 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.363 -3.543 0.468 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.532 -4.294 2.356 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.846 -4.770 0.275 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.328 -5.271 1.394 1.00 0.00 N ATOM 0 H HIS A 37 -6.800 -0.117 3.609 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.530 -2.747 3.005 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.057 -1.280 1.611 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.801 -1.380 2.829 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.230 -4.370 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.851 -5.286 -0.674 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.878 -6.178 1.517 1.00 0.00 H new ATOM 273 N LEU A 38 -5.343 -2.412 5.453 1.00 0.00 N ATOM 274 CA LEU A 38 -4.692 -3.122 6.547 1.00 0.00 C ATOM 275 C LEU A 38 -5.719 -3.820 7.430 1.00 0.00 C ATOM 276 O LEU A 38 -5.480 -4.930 7.891 1.00 0.00 O ATOM 277 CB LEU A 38 -3.850 -2.136 7.385 1.00 0.00 C ATOM 278 CG LEU A 38 -2.423 -2.025 6.801 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.793 -0.694 7.208 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.545 -3.175 7.326 1.00 0.00 C ATOM 0 H LEU A 38 -5.185 -1.404 5.446 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.036 -3.883 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.325 -1.155 7.392 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.802 -2.475 8.420 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.489 -2.083 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.788 -0.625 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.400 0.127 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.741 -0.634 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.542 -3.087 6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.491 -3.124 8.413 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.979 -4.129 7.029 1.00 0.00 H new ATOM 292 N ILE A 39 -6.847 -3.172 7.670 1.00 0.00 N ATOM 293 CA ILE A 39 -7.874 -3.770 8.512 1.00 0.00 C ATOM 294 C ILE A 39 -8.385 -5.069 7.889 1.00 0.00 C ATOM 295 O ILE A 39 -8.562 -6.074 8.575 1.00 0.00 O ATOM 296 CB ILE A 39 -9.036 -2.787 8.684 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.555 -1.582 9.500 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.191 -3.473 9.424 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.619 -0.481 9.483 1.00 0.00 C ATOM 0 H ILE A 39 -7.074 -2.248 7.302 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.441 -3.996 9.487 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.383 -2.458 7.704 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.350 -1.886 10.527 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.620 -1.202 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.015 -2.770 9.544 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.530 -4.335 8.850 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.850 -3.803 10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.270 0.372 10.065 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.802 -0.168 8.455 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.544 -0.862 9.917 1.00 0.00 H new ATOM 311 N LEU A 40 -8.627 -5.047 6.587 1.00 0.00 N ATOM 312 CA LEU A 40 -9.113 -6.239 5.901 1.00 0.00 C ATOM 313 C LEU A 40 -8.000 -7.277 5.739 1.00 0.00 C ATOM 314 O LEU A 40 -8.219 -8.470 5.945 1.00 0.00 O ATOM 315 CB LEU A 40 -9.666 -5.848 4.534 1.00 0.00 C ATOM 316 CG LEU A 40 -10.663 -4.694 4.701 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.207 -4.298 3.328 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.823 -5.129 5.615 1.00 0.00 C ATOM 0 H LEU A 40 -8.498 -4.230 5.990 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.904 -6.687 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.853 -5.549 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.157 -6.703 4.069 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.158 -3.841 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.916 -3.478 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.384 -3.980 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.709 -5.153 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.526 -4.304 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.335 -5.983 5.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.431 -5.408 6.593 1.00 0.00 H new ATOM 330 N TRP A 41 -6.810 -6.816 5.351 1.00 0.00 N ATOM 331 CA TRP A 41 -5.673 -7.716 5.144 1.00 0.00 C ATOM 332 C TRP A 41 -5.177 -8.323 6.459 1.00 0.00 C ATOM 333 O TRP A 41 -4.890 -9.518 6.525 1.00 0.00 O ATOM 334 CB TRP A 41 -4.536 -6.959 4.451 1.00 0.00 C ATOM 335 CG TRP A 41 -3.303 -7.810 4.395 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.037 -8.740 3.448 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.151 -7.791 5.284 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.808 -9.314 3.723 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.221 -8.755 4.838 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.829 -7.039 6.428 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -0.017 -8.965 5.502 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.611 -7.245 7.091 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.290 -8.206 6.629 1.00 0.00 C ATOM 0 H TRP A 41 -6.608 -5.832 5.175 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.008 -8.538 4.512 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.839 -6.678 3.442 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.324 -6.035 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.678 -8.992 2.616 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.388 -10.060 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.524 -6.299 6.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.676 -9.713 5.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.368 -6.657 7.964 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.226 -8.361 7.146 1.00 0.00 H new ATOM 354 N ILE A 42 -5.065 -7.499 7.496 1.00 0.00 N ATOM 355 CA ILE A 42 -4.587 -7.983 8.789 1.00 0.00 C ATOM 356 C ILE A 42 -5.563 -9.002 9.369 1.00 0.00 C ATOM 357 O ILE A 42 -5.152 -10.014 9.942 1.00 0.00 O ATOM 358 CB ILE A 42 -4.414 -6.803 9.761 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.602 -7.249 10.989 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.788 -6.294 10.228 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.154 -7.588 10.595 1.00 0.00 C ATOM 0 H ILE A 42 -5.295 -6.506 7.470 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.622 -8.469 8.646 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.887 -6.002 9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.604 -6.457 11.738 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.073 -8.120 11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.652 -5.459 10.915 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.366 -5.963 9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.321 -7.098 10.735 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.600 -7.901 11.480 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.156 -8.396 9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.679 -6.708 10.162 1.00 0.00 H new ATOM 373 N LEU A 43 -6.855 -8.732 9.215 1.00 0.00 N ATOM 374 CA LEU A 43 -7.877 -9.637 9.729 1.00 0.00 C ATOM 375 C LEU A 43 -7.774 -10.998 9.044 1.00 0.00 C ATOM 376 O LEU A 43 -7.891 -12.035 9.692 1.00 0.00 O ATOM 377 CB LEU A 43 -9.271 -9.037 9.493 1.00 0.00 C ATOM 378 CG LEU A 43 -9.560 -7.946 10.541 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.809 -7.156 10.123 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.794 -8.580 11.934 1.00 0.00 C ATOM 0 H LEU A 43 -7.217 -7.903 8.744 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.721 -9.771 10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.329 -8.614 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.027 -9.819 9.553 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.701 -7.278 10.600 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.015 -6.383 10.863 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.638 -6.692 9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.662 -7.832 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.997 -7.794 12.662 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.645 -9.259 11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.905 -9.134 12.236 1.00 0.00 H new ATOM 633 N VAL B 28 -0.325 11.702 -7.413 1.00 0.00 N ATOM 634 CA VAL B 28 -1.554 11.273 -8.072 1.00 0.00 C ATOM 635 C VAL B 28 -1.459 9.801 -8.469 1.00 0.00 C ATOM 636 O VAL B 28 -2.395 9.031 -8.253 1.00 0.00 O ATOM 637 CB VAL B 28 -1.804 12.129 -9.316 1.00 0.00 C ATOM 638 CG1 VAL B 28 -3.011 11.584 -10.085 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.081 13.574 -8.893 1.00 0.00 C ATOM 0 HA VAL B 28 -2.384 11.397 -7.377 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.923 12.098 -9.957 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.185 12.196 -10.970 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.815 10.556 -10.388 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.893 11.612 -9.445 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.259 14.184 -9.778 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.960 13.603 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.221 13.965 -8.350 1.00 0.00 H new ATOM 649 N ALA B 29 -0.327 9.418 -9.049 1.00 0.00 N ATOM 650 CA ALA B 29 -0.126 8.037 -9.473 1.00 0.00 C ATOM 651 C ALA B 29 -0.135 7.100 -8.272 1.00 0.00 C ATOM 652 O ALA B 29 -0.658 5.990 -8.343 1.00 0.00 O ATOM 653 CB ALA B 29 1.208 7.898 -10.212 1.00 0.00 C ATOM 0 H ALA B 29 0.460 10.039 -9.235 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.942 7.767 -10.143 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.346 6.862 -10.523 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.206 8.543 -11.090 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.023 8.189 -9.549 1.00 0.00 H new ATOM 659 N ALA B 30 0.450 7.550 -7.170 1.00 0.00 N ATOM 660 CA ALA B 30 0.508 6.733 -5.965 1.00 0.00 C ATOM 661 C ALA B 30 -0.892 6.325 -5.520 1.00 0.00 C ATOM 662 O ALA B 30 -1.133 5.165 -5.190 1.00 0.00 O ATOM 663 CB ALA B 30 1.194 7.510 -4.843 1.00 0.00 C ATOM 0 H ALA B 30 0.887 8.468 -7.085 1.00 0.00 H new ATOM 0 HA ALA B 30 1.080 5.832 -6.189 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.234 6.893 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.207 7.772 -5.149 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.631 8.420 -4.634 1.00 0.00 H new ATOM 669 N ASN B 31 -1.814 7.283 -5.516 1.00 0.00 N ATOM 670 CA ASN B 31 -3.185 7.000 -5.109 1.00 0.00 C ATOM 671 C ASN B 31 -3.831 6.004 -6.068 1.00 0.00 C ATOM 672 O ASN B 31 -4.519 5.075 -5.642 1.00 0.00 O ATOM 673 CB ASN B 31 -4.000 8.295 -5.092 1.00 0.00 C ATOM 674 CG ASN B 31 -5.449 7.994 -4.723 1.00 0.00 C ATOM 675 OD1 ASN B 31 -6.335 8.065 -5.574 1.00 0.00 O ATOM 676 ND2 ASN B 31 -5.742 7.657 -3.496 1.00 0.00 N ATOM 0 H ASN B 31 -1.640 8.251 -5.787 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.168 6.567 -4.109 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.571 8.995 -4.375 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.957 8.774 -6.070 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -6.708 7.452 -3.240 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.005 7.599 -2.793 1.00 0.00 H new ATOM 683 N ILE B 32 -3.600 6.200 -7.361 1.00 0.00 N ATOM 684 CA ILE B 32 -4.160 5.312 -8.375 1.00 0.00 C ATOM 685 C ILE B 32 -3.572 3.909 -8.244 1.00 0.00 C ATOM 686 O ILE B 32 -4.286 2.913 -8.346 1.00 0.00 O ATOM 687 CB ILE B 32 -3.871 5.867 -9.777 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.652 7.169 -9.975 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.308 4.848 -10.833 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.166 7.867 -11.245 1.00 0.00 C ATOM 0 H ILE B 32 -3.032 6.962 -7.732 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.238 5.255 -8.226 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.803 6.059 -9.879 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.719 6.958 -10.049 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.515 7.822 -9.113 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.102 5.244 -11.828 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.757 3.918 -10.691 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.376 4.656 -10.733 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.722 8.794 -11.386 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.103 8.092 -11.153 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.326 7.214 -12.103 1.00 0.00 H new ATOM 702 N ILE B 33 -2.262 3.843 -8.029 1.00 0.00 N ATOM 703 CA ILE B 33 -1.580 2.561 -7.900 1.00 0.00 C ATOM 704 C ILE B 33 -2.111 1.793 -6.688 1.00 0.00 C ATOM 705 O ILE B 33 -2.361 0.590 -6.766 1.00 0.00 O ATOM 706 CB ILE B 33 -0.068 2.795 -7.747 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.521 3.374 -9.058 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.626 1.473 -7.396 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.879 2.260 -10.055 1.00 0.00 C ATOM 0 H ILE B 33 -1.655 4.658 -7.941 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.768 1.970 -8.796 1.00 0.00 H new ATOM 0 HB ILE B 33 0.101 3.512 -6.944 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.200 4.053 -9.513 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.411 3.960 -8.830 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.697 1.642 -7.288 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.223 1.088 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.451 0.748 -8.191 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.289 2.702 -10.963 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.619 1.596 -9.608 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.017 1.691 -10.302 1.00 0.00 H new ATOM 721 N GLY B 34 -2.281 2.492 -5.567 1.00 0.00 N ATOM 722 CA GLY B 34 -2.783 1.854 -4.352 1.00 0.00 C ATOM 723 C GLY B 34 -4.199 1.326 -4.558 1.00 0.00 C ATOM 724 O GLY B 34 -4.513 0.197 -4.180 1.00 0.00 O ATOM 0 H GLY B 34 -2.081 3.488 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.123 1.034 -4.068 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.774 2.570 -3.530 1.00 0.00 H new ATOM 728 N ILE B 35 -5.051 2.148 -5.165 1.00 0.00 N ATOM 729 CA ILE B 35 -6.430 1.754 -5.421 1.00 0.00 C ATOM 730 C ILE B 35 -6.478 0.577 -6.395 1.00 0.00 C ATOM 731 O ILE B 35 -7.248 -0.367 -6.209 1.00 0.00 O ATOM 732 CB ILE B 35 -7.217 2.938 -5.996 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.353 4.024 -4.925 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.612 2.471 -6.418 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.881 5.310 -5.563 1.00 0.00 C ATOM 0 H ILE B 35 -4.811 3.086 -5.487 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.883 1.447 -4.478 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.689 3.337 -6.862 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.031 3.691 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.387 4.209 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.170 3.314 -6.826 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.521 1.694 -7.177 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.140 2.072 -5.552 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.977 6.082 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.187 5.646 -6.333 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.856 5.120 -6.012 1.00 0.00 H new ATOM 747 N LEU B 36 -5.651 0.642 -7.436 1.00 0.00 N ATOM 748 CA LEU B 36 -5.611 -0.419 -8.436 1.00 0.00 C ATOM 749 C LEU B 36 -5.213 -1.740 -7.791 1.00 0.00 C ATOM 750 O LEU B 36 -5.778 -2.789 -8.099 1.00 0.00 O ATOM 751 CB LEU B 36 -4.609 -0.064 -9.543 1.00 0.00 C ATOM 752 CG LEU B 36 -4.552 -1.180 -10.600 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.941 -1.393 -11.229 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.549 -0.782 -11.687 1.00 0.00 C ATOM 0 H LEU B 36 -5.005 1.412 -7.607 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.605 -0.521 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.897 0.876 -10.014 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.620 0.086 -9.111 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.240 -2.111 -10.126 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.885 -2.186 -11.975 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.653 -1.675 -10.453 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.270 -0.469 -11.705 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.500 -1.567 -12.442 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.868 0.151 -12.153 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.564 -0.646 -11.241 1.00 0.00 H new ATOM 766 N HIS B 37 -4.238 -1.681 -6.892 1.00 0.00 N ATOM 767 CA HIS B 37 -3.777 -2.882 -6.211 1.00 0.00 C ATOM 768 C HIS B 37 -4.930 -3.533 -5.463 1.00 0.00 C ATOM 769 O HIS B 37 -5.068 -4.757 -5.459 1.00 0.00 O ATOM 770 CB HIS B 37 -2.666 -2.533 -5.223 1.00 0.00 C ATOM 771 CG HIS B 37 -2.181 -3.794 -4.568 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.885 -4.255 -4.715 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.813 -4.712 -3.769 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.782 -5.400 -4.017 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.930 -5.722 -3.421 1.00 0.00 N ATOM 0 H HIS B 37 -3.756 -0.824 -6.620 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.391 -3.577 -6.957 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.844 -2.037 -5.740 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.036 -1.836 -4.471 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.846 -4.656 -3.457 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.122 -5.988 -3.948 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.118 -6.536 -2.835 1.00 0.00 H new ATOM 783 N LEU B 38 -5.756 -2.711 -4.828 1.00 0.00 N ATOM 784 CA LEU B 38 -6.894 -3.219 -4.070 1.00 0.00 C ATOM 785 C LEU B 38 -7.853 -3.983 -4.975 1.00 0.00 C ATOM 786 O LEU B 38 -8.401 -5.003 -4.568 1.00 0.00 O ATOM 787 CB LEU B 38 -7.629 -2.051 -3.380 1.00 0.00 C ATOM 788 CG LEU B 38 -7.018 -1.783 -1.986 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.295 -0.343 -1.558 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.631 -2.741 -0.951 1.00 0.00 C ATOM 0 H LEU B 38 -5.661 -1.695 -4.822 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.523 -3.907 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.558 -1.154 -3.995 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.689 -2.287 -3.281 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.942 -1.944 -2.043 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.860 -0.166 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.852 0.343 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.371 -0.177 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.195 -2.546 0.029 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.709 -2.586 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.424 -3.771 -1.241 1.00 0.00 H new ATOM 802 N ILE B 39 -8.062 -3.492 -6.183 1.00 0.00 N ATOM 803 CA ILE B 39 -8.974 -4.160 -7.104 1.00 0.00 C ATOM 804 C ILE B 39 -8.470 -5.570 -7.419 1.00 0.00 C ATOM 805 O ILE B 39 -9.242 -6.525 -7.440 1.00 0.00 O ATOM 806 CB ILE B 39 -9.085 -3.349 -8.397 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.786 -2.021 -8.094 1.00 0.00 C ATOM 808 CG2 ILE B 39 -9.903 -4.133 -9.430 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.701 -1.094 -9.308 1.00 0.00 C ATOM 0 H ILE B 39 -7.623 -2.647 -6.549 1.00 0.00 H new ATOM 0 HA ILE B 39 -9.956 -4.234 -6.637 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.089 -3.160 -8.797 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.830 -2.202 -7.837 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.323 -1.545 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -9.980 -3.553 -10.349 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.410 -5.082 -9.640 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -10.901 -4.322 -9.036 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.202 -0.153 -9.083 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.655 -0.900 -9.545 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.185 -1.568 -10.162 1.00 0.00 H new ATOM 821 N LEU B 40 -7.178 -5.694 -7.672 1.00 0.00 N ATOM 822 CA LEU B 40 -6.603 -7.000 -7.979 1.00 0.00 C ATOM 823 C LEU B 40 -6.506 -7.872 -6.723 1.00 0.00 C ATOM 824 O LEU B 40 -6.815 -9.063 -6.761 1.00 0.00 O ATOM 825 CB LEU B 40 -5.219 -6.814 -8.594 1.00 0.00 C ATOM 826 CG LEU B 40 -5.309 -5.809 -9.748 1.00 0.00 C ATOM 827 CD1 LEU B 40 -3.919 -5.617 -10.357 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.280 -6.328 -10.825 1.00 0.00 C ATOM 0 H LEU B 40 -6.513 -4.921 -7.672 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.256 -7.507 -8.689 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.518 -6.457 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.838 -7.769 -8.957 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.679 -4.856 -9.369 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -3.977 -4.903 -11.179 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.237 -5.239 -9.595 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.551 -6.572 -10.732 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.337 -5.607 -11.641 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.921 -7.283 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.270 -6.462 -10.389 1.00 0.00 H new ATOM 840 N TRP B 41 -6.060 -7.276 -5.620 1.00 0.00 N ATOM 841 CA TRP B 41 -5.906 -8.011 -4.362 1.00 0.00 C ATOM 842 C TRP B 41 -7.257 -8.422 -3.773 1.00 0.00 C ATOM 843 O TRP B 41 -7.414 -9.552 -3.310 1.00 0.00 O ATOM 844 CB TRP B 41 -5.128 -7.155 -3.354 1.00 0.00 C ATOM 845 CG TRP B 41 -5.119 -7.815 -2.009 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.249 -8.772 -1.612 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.981 -7.551 -0.866 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.542 -9.131 -0.308 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.597 -8.399 0.196 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.054 -6.667 -0.653 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.252 -8.372 1.422 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.708 -6.633 0.587 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.307 -7.485 1.618 1.00 0.00 C ATOM 0 H TRP B 41 -5.799 -6.291 -5.569 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.350 -8.925 -4.574 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.105 -7.010 -3.702 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.582 -6.167 -3.279 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.455 -9.188 -2.215 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.040 -9.848 0.216 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.376 -6.011 -1.448 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.944 -9.035 2.217 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.525 -5.945 0.745 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.817 -7.456 2.570 1.00 0.00 H new ATOM 864 N ILE B 42 -8.218 -7.508 -3.778 1.00 0.00 N ATOM 865 CA ILE B 42 -9.537 -7.802 -3.224 1.00 0.00 C ATOM 866 C ILE B 42 -10.218 -8.902 -4.033 1.00 0.00 C ATOM 867 O ILE B 42 -10.866 -9.788 -3.472 1.00 0.00 O ATOM 868 CB ILE B 42 -10.404 -6.530 -3.222 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.648 -6.746 -2.344 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.853 -6.195 -4.653 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.256 -6.899 -0.866 1.00 0.00 C ATOM 0 H ILE B 42 -8.113 -6.566 -4.155 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.417 -8.149 -2.198 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.812 -5.706 -2.824 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.330 -5.903 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -12.183 -7.636 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.466 -5.294 -4.640 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -9.977 -6.030 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.435 -7.024 -5.055 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.153 -7.051 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.594 -7.757 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.743 -5.998 -0.531 1.00 0.00 H new ATOM 883 N LEU B 43 -10.068 -8.840 -5.353 1.00 0.00 N ATOM 884 CA LEU B 43 -10.676 -9.837 -6.225 1.00 0.00 C ATOM 885 C LEU B 43 -10.106 -11.220 -5.926 1.00 0.00 C ATOM 886 O LEU B 43 -10.841 -12.205 -5.885 1.00 0.00 O ATOM 887 CB LEU B 43 -10.417 -9.471 -7.695 1.00 0.00 C ATOM 888 CG LEU B 43 -11.377 -8.349 -8.136 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.919 -7.790 -9.491 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.823 -8.889 -8.262 1.00 0.00 C ATOM 0 H LEU B 43 -9.536 -8.117 -5.838 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.751 -9.854 -6.043 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.384 -9.147 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.555 -10.348 -8.327 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.363 -7.559 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.597 -6.996 -9.805 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.910 -7.389 -9.397 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.925 -8.587 -10.234 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.487 -8.083 -8.574 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.850 -9.688 -9.003 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.152 -9.277 -7.298 1.00 0.00 H new ATOM 1143 N VAL C 28 8.535 10.770 -2.095 1.00 0.00 N ATOM 1144 CA VAL C 28 9.135 10.096 -3.241 1.00 0.00 C ATOM 1145 C VAL C 28 9.389 8.624 -2.920 1.00 0.00 C ATOM 1146 O VAL C 28 9.089 7.743 -3.725 1.00 0.00 O ATOM 1147 CB VAL C 28 10.455 10.776 -3.615 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.153 9.980 -4.720 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.169 12.195 -4.113 1.00 0.00 C ATOM 0 HA VAL C 28 8.445 10.160 -4.082 1.00 0.00 H new ATOM 0 HB VAL C 28 11.102 10.817 -2.739 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.092 10.468 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.356 8.969 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.509 9.935 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.106 12.683 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.521 12.150 -4.988 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.676 12.764 -3.325 1.00 0.00 H new ATOM 1159 N ALA C 29 9.945 8.368 -1.739 1.00 0.00 N ATOM 1160 CA ALA C 29 10.237 7.000 -1.327 1.00 0.00 C ATOM 1161 C ALA C 29 8.951 6.193 -1.189 1.00 0.00 C ATOM 1162 O ALA C 29 8.911 5.013 -1.531 1.00 0.00 O ATOM 1163 CB ALA C 29 10.979 7.005 0.011 1.00 0.00 C ATOM 0 H ALA C 29 10.200 9.082 -1.057 1.00 0.00 H new ATOM 0 HA ALA C 29 10.863 6.539 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.193 5.980 0.312 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.914 7.556 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.359 7.483 0.769 1.00 0.00 H new ATOM 1169 N ALA C 30 7.904 6.834 -0.685 1.00 0.00 N ATOM 1170 CA ALA C 30 6.628 6.155 -0.504 1.00 0.00 C ATOM 1171 C ALA C 30 6.129 5.581 -1.824 1.00 0.00 C ATOM 1172 O ALA C 30 5.685 4.433 -1.883 1.00 0.00 O ATOM 1173 CB ALA C 30 5.593 7.133 0.052 1.00 0.00 C ATOM 0 H ALA C 30 7.912 7.813 -0.397 1.00 0.00 H new ATOM 0 HA ALA C 30 6.773 5.336 0.200 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.641 6.619 0.185 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.935 7.517 1.013 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.464 7.961 -0.645 1.00 0.00 H new ATOM 1179 N ASN C 31 6.206 6.379 -2.884 1.00 0.00 N ATOM 1180 CA ASN C 31 5.759 5.927 -4.196 1.00 0.00 C ATOM 1181 C ASN C 31 6.609 4.753 -4.675 1.00 0.00 C ATOM 1182 O ASN C 31 6.088 3.776 -5.212 1.00 0.00 O ATOM 1183 CB ASN C 31 5.858 7.075 -5.202 1.00 0.00 C ATOM 1184 CG ASN C 31 5.446 6.590 -6.587 1.00 0.00 C ATOM 1185 OD1 ASN C 31 6.290 6.443 -7.472 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.191 6.329 -6.830 1.00 0.00 N ATOM 0 H ASN C 31 6.570 7.332 -2.861 1.00 0.00 H new ATOM 0 HA ASN C 31 4.722 5.601 -4.116 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.216 7.899 -4.890 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.878 7.458 -5.230 1.00 0.00 H new ATOM 0 HD21 ASN C 31 3.908 6.003 -7.754 1.00 0.00 H new ATOM 0 HD22 ASN C 31 3.493 6.451 -6.096 1.00 0.00 H new ATOM 1193 N ILE C 32 7.917 4.856 -4.473 1.00 0.00 N ATOM 1194 CA ILE C 32 8.835 3.798 -4.883 1.00 0.00 C ATOM 1195 C ILE C 32 8.573 2.523 -4.085 1.00 0.00 C ATOM 1196 O ILE C 32 8.571 1.422 -4.635 1.00 0.00 O ATOM 1197 CB ILE C 32 10.285 4.251 -4.679 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.601 5.390 -5.652 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.234 3.080 -4.948 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.939 6.028 -5.272 1.00 0.00 C ATOM 0 H ILE C 32 8.366 5.658 -4.030 1.00 0.00 H new ATOM 0 HA ILE C 32 8.671 3.589 -5.940 1.00 0.00 H new ATOM 0 HB ILE C 32 10.415 4.595 -3.653 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.644 5.010 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.808 6.138 -5.624 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.264 3.405 -4.802 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.010 2.265 -4.260 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.104 2.735 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.165 6.839 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.879 6.423 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.728 5.277 -5.323 1.00 0.00 H new ATOM 1212 N ILE C 33 8.368 2.681 -2.782 1.00 0.00 N ATOM 1213 CA ILE C 33 8.123 1.539 -1.908 1.00 0.00 C ATOM 1214 C ILE C 33 6.836 0.820 -2.321 1.00 0.00 C ATOM 1215 O ILE C 33 6.794 -0.409 -2.378 1.00 0.00 O ATOM 1216 CB ILE C 33 8.009 2.017 -0.452 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.377 2.551 0.048 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.539 0.858 0.439 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.264 1.415 0.576 1.00 0.00 C ATOM 0 H ILE C 33 8.366 3.585 -2.309 1.00 0.00 H new ATOM 0 HA ILE C 33 8.957 0.842 -1.996 1.00 0.00 H new ATOM 0 HB ILE C 33 7.280 2.826 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE C 33 9.888 3.065 -0.766 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.216 3.285 0.837 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.460 1.201 1.471 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.565 0.508 0.097 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.258 0.041 0.383 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.214 1.825 0.918 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.763 0.918 1.407 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.445 0.694 -0.221 1.00 0.00 H new ATOM 1231 N GLY C 34 5.787 1.589 -2.601 1.00 0.00 N ATOM 1232 CA GLY C 34 4.511 1.005 -3.003 1.00 0.00 C ATOM 1233 C GLY C 34 4.649 0.245 -4.319 1.00 0.00 C ATOM 1234 O GLY C 34 4.161 -0.877 -4.454 1.00 0.00 O ATOM 0 H GLY C 34 5.794 2.608 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.154 0.330 -2.225 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.764 1.792 -3.110 1.00 0.00 H new ATOM 1238 N ILE C 35 5.322 0.863 -5.284 1.00 0.00 N ATOM 1239 CA ILE C 35 5.524 0.240 -6.587 1.00 0.00 C ATOM 1240 C ILE C 35 6.378 -1.020 -6.446 1.00 0.00 C ATOM 1241 O ILE C 35 6.096 -2.049 -7.063 1.00 0.00 O ATOM 1242 CB ILE C 35 6.200 1.228 -7.545 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.234 2.376 -7.851 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.561 0.512 -8.850 1.00 0.00 C ATOM 1245 CD1 ILE C 35 5.979 3.500 -8.575 1.00 0.00 C ATOM 0 H ILE C 35 5.735 1.791 -5.189 1.00 0.00 H new ATOM 0 HA ILE C 35 4.552 -0.039 -6.994 1.00 0.00 H new ATOM 0 HB ILE C 35 7.106 1.620 -7.082 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.411 2.016 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.798 2.753 -6.926 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.041 1.215 -9.530 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.244 -0.311 -8.637 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.655 0.121 -9.313 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.288 4.315 -8.791 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.787 3.868 -7.942 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.394 3.119 -9.508 1.00 0.00 H new ATOM 1257 N LEU C 36 7.431 -0.930 -5.636 1.00 0.00 N ATOM 1258 CA LEU C 36 8.323 -2.065 -5.427 1.00 0.00 C ATOM 1259 C LEU C 36 7.555 -3.240 -4.833 1.00 0.00 C ATOM 1260 O LEU C 36 7.754 -4.388 -5.227 1.00 0.00 O ATOM 1261 CB LEU C 36 9.468 -1.668 -4.486 1.00 0.00 C ATOM 1262 CG LEU C 36 10.414 -2.861 -4.254 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.004 -3.344 -5.591 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.546 -2.420 -3.320 1.00 0.00 C ATOM 0 H LEU C 36 7.685 -0.089 -5.118 1.00 0.00 H new ATOM 0 HA LEU C 36 8.737 -2.363 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.024 -0.833 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.062 -1.327 -3.533 1.00 0.00 H new ATOM 0 HG LEU C 36 9.857 -3.683 -3.804 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.671 -4.187 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.196 -3.655 -6.254 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.563 -2.532 -6.056 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.223 -3.257 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.095 -1.597 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.126 -2.092 -2.369 1.00 0.00 H new ATOM 1276 N HIS C 37 6.674 -2.943 -3.886 1.00 0.00 N ATOM 1277 CA HIS C 37 5.881 -3.983 -3.248 1.00 0.00 C ATOM 1278 C HIS C 37 5.063 -4.732 -4.291 1.00 0.00 C ATOM 1279 O HIS C 37 4.941 -5.955 -4.236 1.00 0.00 O ATOM 1280 CB HIS C 37 4.936 -3.370 -2.217 1.00 0.00 C ATOM 1281 CG HIS C 37 4.167 -4.471 -1.541 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.280 -4.738 -0.188 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.282 -5.397 -2.028 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.484 -5.787 0.086 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.852 -6.226 -1.001 1.00 0.00 N ATOM 0 H HIS C 37 6.492 -1.999 -3.546 1.00 0.00 H new ATOM 0 HA HIS C 37 6.559 -4.676 -2.750 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.502 -2.799 -1.481 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.250 -2.675 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.966 -5.471 -3.058 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.371 -6.221 1.069 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.194 -7.003 -1.065 1.00 0.00 H new ATOM 1293 N LEU C 38 4.502 -3.990 -5.236 1.00 0.00 N ATOM 1294 CA LEU C 38 3.687 -4.594 -6.283 1.00 0.00 C ATOM 1295 C LEU C 38 4.506 -5.581 -7.105 1.00 0.00 C ATOM 1296 O LEU C 38 3.999 -6.629 -7.490 1.00 0.00 O ATOM 1297 CB LEU C 38 3.102 -3.494 -7.193 1.00 0.00 C ATOM 1298 CG LEU C 38 1.752 -2.998 -6.629 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.457 -1.586 -7.136 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.615 -3.936 -7.077 1.00 0.00 C ATOM 0 H LEU C 38 4.595 -2.976 -5.300 1.00 0.00 H new ATOM 0 HA LEU C 38 2.869 -5.141 -5.814 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.802 -2.662 -7.266 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.962 -3.882 -8.202 1.00 0.00 H new ATOM 0 HG LEU C 38 1.815 -2.991 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.503 -1.246 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.249 -0.910 -6.813 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.408 -1.593 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.332 -3.578 -6.674 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.564 -3.951 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.808 -4.944 -6.709 1.00 0.00 H new ATOM 1312 N ILE C 39 5.756 -5.247 -7.380 1.00 0.00 N ATOM 1313 CA ILE C 39 6.598 -6.134 -8.171 1.00 0.00 C ATOM 1314 C ILE C 39 6.783 -7.473 -7.454 1.00 0.00 C ATOM 1315 O ILE C 39 6.703 -8.534 -8.066 1.00 0.00 O ATOM 1316 CB ILE C 39 7.964 -5.480 -8.401 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.783 -4.254 -9.304 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.908 -6.478 -9.082 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.084 -3.448 -9.355 1.00 0.00 C ATOM 0 H ILE C 39 6.206 -4.384 -7.074 1.00 0.00 H new ATOM 0 HA ILE C 39 6.114 -6.313 -9.131 1.00 0.00 H new ATOM 0 HB ILE C 39 8.391 -5.179 -7.444 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.501 -4.570 -10.308 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.973 -3.630 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.878 -6.009 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE C 39 9.030 -7.355 -8.446 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.487 -6.781 -10.041 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.948 -2.579 -9.998 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.347 -3.118 -8.350 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.884 -4.073 -9.753 1.00 0.00 H new ATOM 1331 N LEU C 40 7.036 -7.420 -6.155 1.00 0.00 N ATOM 1332 CA LEU C 40 7.223 -8.643 -5.383 1.00 0.00 C ATOM 1333 C LEU C 40 5.892 -9.365 -5.158 1.00 0.00 C ATOM 1334 O LEU C 40 5.810 -10.588 -5.278 1.00 0.00 O ATOM 1335 CB LEU C 40 7.868 -8.305 -4.045 1.00 0.00 C ATOM 1336 CG LEU C 40 9.115 -7.445 -4.283 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.752 -7.096 -2.938 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.125 -8.211 -5.155 1.00 0.00 C ATOM 0 H LEU C 40 7.116 -6.557 -5.617 1.00 0.00 H new ATOM 0 HA LEU C 40 7.875 -9.311 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.160 -7.770 -3.412 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.139 -9.220 -3.518 1.00 0.00 H new ATOM 0 HG LEU C 40 8.828 -6.529 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.639 -6.485 -3.103 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.037 -6.542 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.035 -8.013 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.007 -7.592 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.416 -9.132 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.668 -8.452 -6.115 1.00 0.00 H new ATOM 1350 N TRP C 41 4.854 -8.603 -4.810 1.00 0.00 N ATOM 1351 CA TRP C 41 3.535 -9.180 -4.550 1.00 0.00 C ATOM 1352 C TRP C 41 2.892 -9.737 -5.824 1.00 0.00 C ATOM 1353 O TRP C 41 2.321 -10.827 -5.808 1.00 0.00 O ATOM 1354 CB TRP C 41 2.623 -8.120 -3.922 1.00 0.00 C ATOM 1355 CG TRP C 41 1.221 -8.640 -3.814 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.745 -9.407 -2.805 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.100 -8.405 -4.710 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.589 -9.684 -3.047 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.032 -9.078 -4.205 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.042 -7.679 -5.907 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.258 -9.035 -4.860 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.280 -7.628 -6.564 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.382 -8.306 -6.040 1.00 0.00 C ATOM 0 H TRP C 41 4.901 -7.590 -4.702 1.00 0.00 H new ATOM 0 HA TRP C 41 3.665 -10.013 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.995 -7.849 -2.934 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.637 -7.214 -4.527 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.313 -9.747 -1.952 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.173 -10.264 -2.444 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.808 -7.158 -6.322 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.109 -9.564 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.381 -7.062 -7.478 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.333 -8.265 -6.551 1.00 0.00 H new ATOM 1374 N ILE C 42 2.974 -8.985 -6.915 1.00 0.00 N ATOM 1375 CA ILE C 42 2.380 -9.425 -8.176 1.00 0.00 C ATOM 1376 C ILE C 42 3.071 -10.692 -8.676 1.00 0.00 C ATOM 1377 O ILE C 42 2.420 -11.608 -9.179 1.00 0.00 O ATOM 1378 CB ILE C 42 2.491 -8.311 -9.232 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.581 -8.631 -10.430 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.941 -8.189 -9.722 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.099 -8.575 -10.025 1.00 0.00 C ATOM 0 H ILE C 42 3.439 -8.078 -6.955 1.00 0.00 H new ATOM 0 HA ILE C 42 1.326 -9.646 -8.005 1.00 0.00 H new ATOM 0 HB ILE C 42 2.181 -7.370 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.769 -7.920 -11.235 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.819 -9.622 -10.818 1.00 0.00 H new ATOM 0 HG21 ILE C 42 4.007 -7.398 -10.469 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.591 -7.949 -8.880 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.256 -9.134 -10.165 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.523 -8.805 -10.890 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.091 -9.304 -9.237 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.141 -7.576 -9.660 1.00 0.00 H new ATOM 1393 N LEU C 43 4.393 -10.735 -8.532 1.00 0.00 N ATOM 1394 CA LEU C 43 5.157 -11.895 -8.972 1.00 0.00 C ATOM 1395 C LEU C 43 4.732 -13.137 -8.194 1.00 0.00 C ATOM 1396 O LEU C 43 4.585 -14.216 -8.766 1.00 0.00 O ATOM 1397 CB LEU C 43 6.658 -11.638 -8.768 1.00 0.00 C ATOM 1398 CG LEU C 43 7.195 -10.728 -9.891 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.602 -10.239 -9.519 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.253 -11.495 -11.235 1.00 0.00 C ATOM 0 H LEU C 43 4.951 -9.988 -8.119 1.00 0.00 H new ATOM 0 HA LEU C 43 4.962 -12.063 -10.031 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.827 -11.170 -7.798 1.00 0.00 H new ATOM 0 HB3 LEU C 43 7.200 -12.584 -8.765 1.00 0.00 H new ATOM 0 HG LEU C 43 6.523 -9.877 -10.005 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.985 -9.595 -10.311 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.557 -9.678 -8.585 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.264 -11.096 -9.396 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.635 -10.835 -12.014 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.913 -12.357 -11.134 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.253 -11.834 -11.504 1.00 0.00 H new ATOM 1653 N VAL D 28 3.005 11.812 6.425 1.00 0.00 N ATOM 1654 CA VAL D 28 4.106 11.159 7.123 1.00 0.00 C ATOM 1655 C VAL D 28 3.676 9.786 7.633 1.00 0.00 C ATOM 1656 O VAL D 28 4.403 8.804 7.484 1.00 0.00 O ATOM 1657 CB VAL D 28 4.565 12.027 8.298 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.620 11.276 9.115 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.167 13.329 7.765 1.00 0.00 C ATOM 0 HA VAL D 28 4.933 11.030 6.425 1.00 0.00 H new ATOM 0 HB VAL D 28 3.709 12.253 8.934 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.944 11.897 9.950 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.192 10.349 9.497 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.476 11.046 8.480 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.494 13.948 8.601 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.021 13.101 7.127 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.416 13.867 7.187 1.00 0.00 H new ATOM 1669 N ALA D 29 2.493 9.725 8.237 1.00 0.00 N ATOM 1670 CA ALA D 29 1.979 8.468 8.767 1.00 0.00 C ATOM 1671 C ALA D 29 1.751 7.464 7.643 1.00 0.00 C ATOM 1672 O ALA D 29 1.998 6.271 7.804 1.00 0.00 O ATOM 1673 CB ALA D 29 0.662 8.705 9.507 1.00 0.00 C ATOM 0 H ALA D 29 1.876 10.526 8.371 1.00 0.00 H new ATOM 0 HA ALA D 29 2.718 8.065 9.460 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.289 7.758 9.898 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.828 9.398 10.332 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.071 9.128 8.820 1.00 0.00 H new ATOM 1679 N ALA D 30 1.275 7.952 6.504 1.00 0.00 N ATOM 1680 CA ALA D 30 1.012 7.081 5.367 1.00 0.00 C ATOM 1681 C ALA D 30 2.272 6.323 4.964 1.00 0.00 C ATOM 1682 O ALA D 30 2.230 5.116 4.729 1.00 0.00 O ATOM 1683 CB ALA D 30 0.511 7.906 4.183 1.00 0.00 C ATOM 0 H ALA D 30 1.065 8.937 6.344 1.00 0.00 H new ATOM 0 HA ALA D 30 0.248 6.360 5.658 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.317 7.247 3.337 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.409 8.420 4.461 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.267 8.640 3.905 1.00 0.00 H new ATOM 1689 N ASN D 31 3.391 7.034 4.891 1.00 0.00 N ATOM 1690 CA ASN D 31 4.654 6.406 4.517 1.00 0.00 C ATOM 1691 C ASN D 31 5.059 5.363 5.555 1.00 0.00 C ATOM 1692 O ASN D 31 5.507 4.269 5.206 1.00 0.00 O ATOM 1693 CB ASN D 31 5.749 7.468 4.403 1.00 0.00 C ATOM 1694 CG ASN D 31 7.080 6.808 4.068 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.273 6.317 2.876 1.00 0.00 O flip ATOM 1696 ND2 ASN D 31 7.971 6.737 4.917 1.00 0.00 N flip ATOM 0 H ASN D 31 3.451 8.034 5.083 1.00 0.00 H new ATOM 0 HA ASN D 31 4.525 5.913 3.554 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.487 8.191 3.630 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.832 8.019 5.340 1.00 0.00 H new ATOM 0 HD21 ASN D 31 7.819 7.122 5.849 1.00 0.00 H new ATOM 0 HD22 ASN D 31 8.860 6.294 4.687 1.00 0.00 H new ATOM 1703 N ILE D 32 4.897 5.708 6.828 1.00 0.00 N ATOM 1704 CA ILE D 32 5.246 4.795 7.912 1.00 0.00 C ATOM 1705 C ILE D 32 4.344 3.563 7.885 1.00 0.00 C ATOM 1706 O ILE D 32 4.806 2.437 8.069 1.00 0.00 O ATOM 1707 CB ILE D 32 5.111 5.508 9.262 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.177 6.602 9.363 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.312 4.501 10.397 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.883 7.490 10.573 1.00 0.00 C ATOM 0 H ILE D 32 4.528 6.608 7.134 1.00 0.00 H new ATOM 0 HA ILE D 32 6.279 4.475 7.776 1.00 0.00 H new ATOM 0 HB ILE D 32 4.118 5.951 9.341 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.166 6.153 9.459 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.186 7.201 8.452 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.216 5.010 11.356 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.559 3.717 10.325 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.305 4.058 10.319 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.642 8.269 10.645 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.901 7.949 10.457 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.896 6.885 11.480 1.00 0.00 H new ATOM 1722 N ILE D 33 3.054 3.789 7.667 1.00 0.00 N ATOM 1723 CA ILE D 33 2.088 2.696 7.634 1.00 0.00 C ATOM 1724 C ILE D 33 2.410 1.733 6.489 1.00 0.00 C ATOM 1725 O ILE D 33 2.371 0.516 6.664 1.00 0.00 O ATOM 1726 CB ILE D 33 0.672 3.266 7.452 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.249 4.067 8.710 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.319 2.120 7.202 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.349 3.146 9.785 1.00 0.00 C ATOM 0 H ILE D 33 2.653 4.714 7.511 1.00 0.00 H new ATOM 0 HA ILE D 33 2.142 2.149 8.575 1.00 0.00 H new ATOM 0 HB ILE D 33 0.669 3.938 6.594 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.114 4.591 9.117 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.482 4.826 8.431 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.322 2.528 7.073 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -0.029 1.578 6.302 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.310 1.439 8.053 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.635 3.739 10.654 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -1.228 2.642 9.384 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.392 2.403 10.081 1.00 0.00 H new ATOM 1741 N GLY D 34 2.724 2.283 5.320 1.00 0.00 N ATOM 1742 CA GLY D 34 3.048 1.454 4.162 1.00 0.00 C ATOM 1743 C GLY D 34 4.303 0.625 4.418 1.00 0.00 C ATOM 1744 O GLY D 34 4.338 -0.574 4.133 1.00 0.00 O ATOM 0 H GLY D 34 2.761 3.288 5.149 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.211 0.793 3.937 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.198 2.087 3.287 1.00 0.00 H new ATOM 1748 N ILE D 35 5.330 1.268 4.963 1.00 0.00 N ATOM 1749 CA ILE D 35 6.583 0.583 5.260 1.00 0.00 C ATOM 1750 C ILE D 35 6.363 -0.493 6.322 1.00 0.00 C ATOM 1751 O ILE D 35 6.888 -1.602 6.218 1.00 0.00 O ATOM 1752 CB ILE D 35 7.631 1.590 5.745 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.004 2.528 4.595 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.884 0.844 6.213 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.827 3.698 5.137 1.00 0.00 C ATOM 0 H ILE D 35 5.320 2.258 5.207 1.00 0.00 H new ATOM 0 HA ILE D 35 6.943 0.106 4.348 1.00 0.00 H new ATOM 0 HB ILE D 35 7.220 2.167 6.573 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.575 1.987 3.841 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.103 2.899 4.107 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.628 1.562 6.557 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.623 0.172 7.030 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.294 0.266 5.385 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.093 4.366 4.318 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.240 4.244 5.875 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.735 3.318 5.605 1.00 0.00 H new ATOM 1767 N LEU D 36 5.589 -0.153 7.350 1.00 0.00 N ATOM 1768 CA LEU D 36 5.312 -1.094 8.432 1.00 0.00 C ATOM 1769 C LEU D 36 4.609 -2.332 7.888 1.00 0.00 C ATOM 1770 O LEU D 36 4.917 -3.456 8.281 1.00 0.00 O ATOM 1771 CB LEU D 36 4.434 -0.430 9.497 1.00 0.00 C ATOM 1772 CG LEU D 36 4.130 -1.415 10.640 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.437 -1.897 11.291 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.263 -0.708 11.686 1.00 0.00 C ATOM 0 H LEU D 36 5.146 0.759 7.456 1.00 0.00 H new ATOM 0 HA LEU D 36 6.259 -1.392 8.883 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.938 0.451 9.894 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.502 -0.089 9.046 1.00 0.00 H new ATOM 0 HG LEU D 36 3.601 -2.280 10.241 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.207 -2.593 12.098 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.052 -2.398 10.544 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.980 -1.042 11.694 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.041 -1.397 12.501 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.798 0.157 12.078 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.331 -0.380 11.225 1.00 0.00 H new ATOM 1786 N HIS D 37 3.664 -2.117 6.981 1.00 0.00 N ATOM 1787 CA HIS D 37 2.929 -3.225 6.393 1.00 0.00 C ATOM 1788 C HIS D 37 3.889 -4.185 5.705 1.00 0.00 C ATOM 1789 O HIS D 37 3.736 -5.402 5.797 1.00 0.00 O ATOM 1790 CB HIS D 37 1.916 -2.703 5.373 1.00 0.00 C ATOM 1791 CG HIS D 37 1.143 -3.862 4.815 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.223 -3.995 4.987 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.534 -4.961 4.095 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.597 -5.135 4.382 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.435 -5.762 3.822 1.00 0.00 N ATOM 0 H HIS D 37 3.392 -1.195 6.641 1.00 0.00 H new ATOM 0 HA HIS D 37 2.401 -3.751 7.188 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.239 -1.991 5.845 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.429 -2.171 4.571 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.547 -5.172 3.786 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.613 -5.499 4.354 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.421 -6.641 3.304 1.00 0.00 H new ATOM 1803 N LEU D 38 4.876 -3.629 5.015 1.00 0.00 N ATOM 1804 CA LEU D 38 5.857 -4.446 4.308 1.00 0.00 C ATOM 1805 C LEU D 38 6.619 -5.343 5.275 1.00 0.00 C ATOM 1806 O LEU D 38 6.908 -6.490 4.953 1.00 0.00 O ATOM 1807 CB LEU D 38 6.840 -3.539 3.538 1.00 0.00 C ATOM 1808 CG LEU D 38 6.297 -3.249 2.120 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.898 -1.950 1.583 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.669 -4.403 1.174 1.00 0.00 C ATOM 0 H LEU D 38 5.019 -2.623 4.929 1.00 0.00 H new ATOM 0 HA LEU D 38 5.327 -5.083 3.600 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.984 -2.604 4.079 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.815 -4.021 3.471 1.00 0.00 H new ATOM 0 HG LEU D 38 5.213 -3.152 2.174 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.509 -1.755 0.584 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.631 -1.125 2.244 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.983 -2.042 1.538 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.284 -4.194 0.176 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.754 -4.503 1.131 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.233 -5.331 1.544 1.00 0.00 H new ATOM 1822 N ILE D 39 6.950 -4.823 6.443 1.00 0.00 N ATOM 1823 CA ILE D 39 7.689 -5.612 7.420 1.00 0.00 C ATOM 1824 C ILE D 39 6.873 -6.835 7.841 1.00 0.00 C ATOM 1825 O ILE D 39 7.399 -7.940 7.941 1.00 0.00 O ATOM 1826 CB ILE D 39 8.002 -4.752 8.646 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.994 -3.653 8.245 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.626 -5.623 9.743 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.140 -2.641 9.384 1.00 0.00 C ATOM 0 H ILE D 39 6.725 -3.873 6.738 1.00 0.00 H new ATOM 0 HA ILE D 39 8.621 -5.951 6.967 1.00 0.00 H new ATOM 0 HB ILE D 39 7.082 -4.304 9.022 1.00 0.00 H new ATOM 0 HG12 ILE D 39 9.963 -4.094 8.012 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.647 -3.150 7.342 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.848 -5.007 10.615 1.00 0.00 H new ATOM 0 HG22 ILE D 39 7.927 -6.411 10.024 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.548 -6.071 9.372 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.846 -1.864 9.092 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.171 -2.190 9.596 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.507 -3.148 10.276 1.00 0.00 H new ATOM 1841 N LEU D 40 5.590 -6.633 8.091 1.00 0.00 N ATOM 1842 CA LEU D 40 4.728 -7.737 8.496 1.00 0.00 C ATOM 1843 C LEU D 40 4.414 -8.660 7.314 1.00 0.00 C ATOM 1844 O LEU D 40 4.437 -9.882 7.446 1.00 0.00 O ATOM 1845 CB LEU D 40 3.434 -7.185 9.086 1.00 0.00 C ATOM 1846 CG LEU D 40 3.770 -6.141 10.158 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.472 -5.580 10.739 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.605 -6.788 11.278 1.00 0.00 C ATOM 0 H LEU D 40 5.124 -5.728 8.023 1.00 0.00 H new ATOM 0 HA LEU D 40 5.253 -8.324 9.249 1.00 0.00 H new ATOM 0 HB2 LEU D 40 2.826 -6.734 8.301 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.845 -7.993 9.521 1.00 0.00 H new ATOM 0 HG LEU D 40 4.348 -5.334 9.709 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.706 -4.837 11.502 1.00 0.00 H new ATOM 0 HD12 LEU D 40 1.890 -5.113 9.945 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.894 -6.389 11.186 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.840 -6.040 12.035 1.00 0.00 H new ATOM 0 HD22 LEU D 40 4.037 -7.599 11.733 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.531 -7.183 10.860 1.00 0.00 H new ATOM 1860 N TRP D 41 4.106 -8.062 6.163 1.00 0.00 N ATOM 1861 CA TRP D 41 3.769 -8.836 4.965 1.00 0.00 C ATOM 1862 C TRP D 41 4.979 -9.598 4.419 1.00 0.00 C ATOM 1863 O TRP D 41 4.863 -10.767 4.045 1.00 0.00 O ATOM 1864 CB TRP D 41 3.203 -7.901 3.888 1.00 0.00 C ATOM 1865 CG TRP D 41 3.026 -8.643 2.596 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.948 -9.395 2.267 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.911 -8.680 1.443 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.134 -9.913 0.998 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.327 -9.492 0.447 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.160 -8.092 1.169 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.956 -9.715 -0.773 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.792 -8.312 -0.064 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.190 -9.119 -1.031 1.00 0.00 C ATOM 0 H TRP D 41 4.082 -7.051 6.033 1.00 0.00 H new ATOM 0 HA TRP D 41 3.017 -9.574 5.243 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.246 -7.494 4.216 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.875 -7.056 3.741 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.084 -9.563 2.893 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.471 -10.530 0.528 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.634 -7.468 1.912 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.492 -10.346 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.749 -7.855 -0.266 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.680 -9.282 -1.979 1.00 0.00 H new ATOM 1884 N ILE D 42 6.129 -8.936 4.358 1.00 0.00 N ATOM 1885 CA ILE D 42 7.335 -9.575 3.840 1.00 0.00 C ATOM 1886 C ILE D 42 7.750 -10.737 4.738 1.00 0.00 C ATOM 1887 O ILE D 42 8.165 -11.790 4.252 1.00 0.00 O ATOM 1888 CB ILE D 42 8.477 -8.546 3.744 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.626 -9.116 2.893 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.009 -8.215 5.146 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.192 -9.287 1.429 1.00 0.00 C ATOM 0 H ILE D 42 6.253 -7.969 4.657 1.00 0.00 H new ATOM 0 HA ILE D 42 7.123 -9.964 2.844 1.00 0.00 H new ATOM 0 HB ILE D 42 8.090 -7.640 3.279 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.488 -8.450 2.946 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.941 -10.078 3.298 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.816 -7.487 5.066 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.204 -7.800 5.752 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.385 -9.124 5.616 1.00 0.00 H new ATOM 0 HD11 ILE D 42 10.021 -9.691 0.848 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.346 -9.972 1.378 1.00 0.00 H new ATOM 0 HD13 ILE D 42 8.901 -8.319 1.020 1.00 0.00 H new ATOM 1903 N LEU D 43 7.634 -10.538 6.046 1.00 0.00 N ATOM 1904 CA LEU D 43 8.001 -11.580 6.998 1.00 0.00 C ATOM 1905 C LEU D 43 7.119 -12.811 6.804 1.00 0.00 C ATOM 1906 O LEU D 43 7.603 -13.940 6.843 1.00 0.00 O ATOM 1907 CB LEU D 43 7.853 -11.051 8.431 1.00 0.00 C ATOM 1908 CG LEU D 43 9.056 -10.155 8.791 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.759 -9.401 10.094 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.337 -11.007 8.967 1.00 0.00 C ATOM 0 H LEU D 43 7.293 -9.675 6.468 1.00 0.00 H new ATOM 0 HA LEU D 43 9.039 -11.864 6.825 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.927 -10.484 8.524 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.788 -11.885 9.130 1.00 0.00 H new ATOM 0 HG LEU D 43 9.218 -9.444 7.981 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.608 -8.767 10.349 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.871 -8.782 9.962 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.586 -10.117 10.897 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.174 -10.357 9.221 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.185 -11.732 9.767 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.555 -11.533 8.037 1.00 0.00 H new