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 : amide:sc= -0.0576 K(o=-0.058,f=-2.2!) USER MOD Single : A 37 HIS :FLIP no HD1:sc= -4.6 F(o=-5.6!,f=-4.6) USER MOD Single : B 31 ASN : amide:sc= -0.1 K(o=-0.1,f=-2!) USER MOD Single : B 37 HIS :FLIP no HD1:sc= -4.92 F(o=-5.5!,f=-4.9) USER MOD Single : C 31 ASN : amide:sc= -0.0331 K(o=-0.033,f=-2.1!) USER MOD Single : C 37 HIS :FLIP no HD1:sc= -5.08! C(o=-5.8!,f=-5.1!) USER MOD Single : D 31 ASN : amide:sc= -0.0421 K(o=-0.042,f=-2!) USER MOD Single : D 37 HIS :FLIP no HD1:sc= -5.07! C(o=-5.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -6.234 12.455 0.372 1.00 0.00 N ATOM 124 CA VAL A 28 -6.860 12.128 1.648 1.00 0.00 C ATOM 125 C VAL A 28 -7.527 10.757 1.581 1.00 0.00 C ATOM 126 O VAL A 28 -7.404 9.952 2.504 1.00 0.00 O ATOM 127 CB VAL A 28 -7.899 13.193 2.005 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.608 12.802 3.303 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.201 14.542 2.188 1.00 0.00 C ATOM 0 HA VAL A 28 -6.089 12.103 2.418 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.633 13.269 1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.348 13.561 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.105 11.841 3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.877 12.725 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.940 15.302 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.467 14.466 2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.698 14.820 1.262 1.00 0.00 H new ATOM 139 N ALA A 29 -8.237 10.500 0.487 1.00 0.00 N ATOM 140 CA ALA A 29 -8.922 9.224 0.320 1.00 0.00 C ATOM 141 C ALA A 29 -7.923 8.073 0.348 1.00 0.00 C ATOM 142 O ALA A 29 -8.194 7.020 0.924 1.00 0.00 O ATOM 143 CB ALA A 29 -9.682 9.210 -1.012 1.00 0.00 C ATOM 0 H ALA A 29 -8.352 11.151 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.626 9.100 1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.191 8.254 -1.130 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.416 10.016 -1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.979 9.351 -1.833 1.00 0.00 H new ATOM 149 N ALA A 30 -6.770 8.276 -0.274 1.00 0.00 N ATOM 150 CA ALA A 30 -5.747 7.238 -0.310 1.00 0.00 C ATOM 151 C ALA A 30 -5.320 6.864 1.106 1.00 0.00 C ATOM 152 O ALA A 30 -5.119 5.689 1.412 1.00 0.00 O ATOM 153 CB ALA A 30 -4.529 7.724 -1.102 1.00 0.00 C ATOM 0 H ALA A 30 -6.520 9.140 -0.756 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.166 6.358 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.772 6.940 -1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.830 7.964 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.117 8.614 -0.626 1.00 0.00 H new ATOM 159 N ASN A 31 -5.176 7.867 1.963 1.00 0.00 N ATOM 160 CA ASN A 31 -4.765 7.619 3.339 1.00 0.00 C ATOM 161 C ASN A 31 -5.813 6.786 4.078 1.00 0.00 C ATOM 162 O ASN A 31 -5.477 5.817 4.756 1.00 0.00 O ATOM 163 CB ASN A 31 -4.568 8.951 4.069 1.00 0.00 C ATOM 164 CG ASN A 31 -3.268 9.611 3.621 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.410 8.957 3.032 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.074 10.878 3.867 1.00 0.00 N ATOM 0 H ASN A 31 -5.335 8.848 1.734 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.826 7.065 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.409 9.613 3.865 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.547 8.784 5.146 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.208 11.328 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.788 11.418 4.356 1.00 0.00 H new ATOM 173 N ILE A 32 -7.079 7.167 3.940 1.00 0.00 N ATOM 174 CA ILE A 32 -8.164 6.448 4.610 1.00 0.00 C ATOM 175 C ILE A 32 -8.260 5.019 4.088 1.00 0.00 C ATOM 176 O ILE A 32 -8.424 4.073 4.859 1.00 0.00 O ATOM 177 CB ILE A 32 -9.492 7.178 4.383 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.454 8.528 5.104 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.645 6.340 4.944 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.649 9.377 4.668 1.00 0.00 C ATOM 0 H ILE A 32 -7.380 7.962 3.376 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.952 6.414 5.679 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.642 7.332 3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.478 8.376 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.523 9.048 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.588 6.862 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.673 5.375 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.496 6.186 6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.620 10.338 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.606 9.541 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.574 8.859 4.919 1.00 0.00 H new ATOM 192 N ILE A 33 -8.159 4.873 2.775 1.00 0.00 N ATOM 193 CA ILE A 33 -8.232 3.558 2.150 1.00 0.00 C ATOM 194 C ILE A 33 -7.078 2.677 2.622 1.00 0.00 C ATOM 195 O ILE A 33 -7.267 1.494 2.902 1.00 0.00 O ATOM 196 CB ILE A 33 -8.199 3.707 0.627 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.490 4.371 0.146 1.00 0.00 C ATOM 198 CG2 ILE A 33 -8.074 2.329 -0.021 1.00 0.00 C ATOM 199 CD1 ILE A 33 -9.334 4.781 -1.319 1.00 0.00 C ATOM 0 H ILE A 33 -8.027 5.646 2.122 1.00 0.00 H new ATOM 0 HA ILE A 33 -9.168 3.080 2.441 1.00 0.00 H new ATOM 0 HB ILE A 33 -7.344 4.323 0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -10.329 3.683 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.713 5.245 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.051 2.438 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.154 1.851 0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.928 1.714 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.253 5.255 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.506 5.483 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.132 3.898 -1.924 1.00 0.00 H new ATOM 211 N GLY A 34 -5.883 3.254 2.697 1.00 0.00 N ATOM 212 CA GLY A 34 -4.713 2.492 3.123 1.00 0.00 C ATOM 213 C GLY A 34 -4.967 1.807 4.462 1.00 0.00 C ATOM 214 O GLY A 34 -4.651 0.630 4.633 1.00 0.00 O ATOM 0 H GLY A 34 -5.699 4.232 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.466 1.745 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.853 3.156 3.207 1.00 0.00 H new ATOM 218 N ILE A 35 -5.546 2.540 5.407 1.00 0.00 N ATOM 219 CA ILE A 35 -5.844 1.973 6.722 1.00 0.00 C ATOM 220 C ILE A 35 -6.904 0.879 6.603 1.00 0.00 C ATOM 221 O ILE A 35 -6.804 -0.167 7.245 1.00 0.00 O ATOM 222 CB ILE A 35 -6.342 3.060 7.675 1.00 0.00 C ATOM 223 CG1 ILE A 35 -5.341 4.227 7.708 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.511 2.475 9.083 1.00 0.00 C ATOM 225 CD1 ILE A 35 -3.935 3.737 8.066 1.00 0.00 C ATOM 0 H ILE A 35 -5.817 3.517 5.292 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.925 1.542 7.120 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.305 3.431 7.324 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.321 4.721 6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.667 4.970 8.436 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.866 3.252 9.760 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.235 1.661 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.552 2.096 9.437 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.248 4.583 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.953 3.266 9.049 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.602 3.013 7.322 1.00 0.00 H new ATOM 237 N LEU A 36 -7.925 1.136 5.783 1.00 0.00 N ATOM 238 CA LEU A 36 -9.011 0.174 5.593 1.00 0.00 C ATOM 239 C LEU A 36 -8.457 -1.152 5.068 1.00 0.00 C ATOM 240 O LEU A 36 -8.921 -2.230 5.444 1.00 0.00 O ATOM 241 CB LEU A 36 -10.049 0.733 4.604 1.00 0.00 C ATOM 242 CG LEU A 36 -11.403 0.006 4.784 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.237 0.704 5.867 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.187 0.028 3.469 1.00 0.00 C ATOM 0 H LEU A 36 -8.022 1.996 5.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.494 0.001 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.178 1.803 4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.693 0.607 3.582 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.205 -1.024 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.188 0.184 5.985 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.694 0.687 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.423 1.737 5.574 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.139 -0.486 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.371 1.061 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.610 -0.475 2.693 1.00 0.00 H new ATOM 256 N HIS A 37 -7.463 -1.066 4.195 1.00 0.00 N ATOM 257 CA HIS A 37 -6.849 -2.265 3.639 1.00 0.00 C ATOM 258 C HIS A 37 -6.098 -3.046 4.717 1.00 0.00 C ATOM 259 O HIS A 37 -6.162 -4.274 4.759 1.00 0.00 O ATOM 260 CB HIS A 37 -5.878 -1.890 2.523 1.00 0.00 C ATOM 261 CG HIS A 37 -5.262 -3.139 1.962 1.00 0.00 C ATOM 262 ND1 HIS A 37 -4.456 -4.095 2.528 1.00 0.00 N flip ATOM 263 CD2 HIS A 37 -5.449 -3.532 0.648 1.00 0.00 C flip ATOM 264 CE1 HIS A 37 -4.143 -5.062 1.583 1.00 0.00 C flip ATOM 265 NE2 HIS A 37 -4.764 -4.676 0.469 1.00 0.00 N flip ATOM 0 H HIS A 37 -7.067 -0.188 3.859 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.645 -2.893 3.238 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.401 -1.344 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -5.102 -1.229 2.908 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.037 -3.015 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -3.528 -5.939 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.725 -5.186 -0.413 1.00 0.00 H new ATOM 273 N LEU A 38 -5.360 -2.331 5.562 1.00 0.00 N ATOM 274 CA LEU A 38 -4.567 -2.978 6.609 1.00 0.00 C ATOM 275 C LEU A 38 -5.445 -3.776 7.574 1.00 0.00 C ATOM 276 O LEU A 38 -5.119 -4.912 7.916 1.00 0.00 O ATOM 277 CB LEU A 38 -3.750 -1.908 7.381 1.00 0.00 C ATOM 278 CG LEU A 38 -2.254 -2.006 7.041 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.548 -0.720 7.458 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.629 -3.191 7.790 1.00 0.00 C ATOM 0 H LEU A 38 -5.293 -1.313 5.545 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.886 -3.682 6.131 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.119 -0.913 7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.892 -2.041 8.454 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.141 -2.153 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.488 -0.792 7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.985 0.124 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.666 -0.572 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.569 -3.257 7.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.746 -3.045 8.864 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.128 -4.113 7.492 1.00 0.00 H new ATOM 292 N ILE A 39 -6.547 -3.189 8.011 1.00 0.00 N ATOM 293 CA ILE A 39 -7.436 -3.878 8.937 1.00 0.00 C ATOM 294 C ILE A 39 -8.007 -5.137 8.285 1.00 0.00 C ATOM 295 O ILE A 39 -8.120 -6.180 8.924 1.00 0.00 O ATOM 296 CB ILE A 39 -8.556 -2.934 9.379 1.00 0.00 C ATOM 297 CG1 ILE A 39 -9.225 -2.333 8.148 1.00 0.00 C ATOM 298 CG2 ILE A 39 -7.959 -1.809 10.225 1.00 0.00 C ATOM 299 CD1 ILE A 39 -10.394 -1.439 8.564 1.00 0.00 C ATOM 0 H ILE A 39 -6.846 -2.251 7.745 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.871 -4.181 9.819 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.292 -3.486 9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.499 -1.753 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.581 -3.129 7.494 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.752 -1.133 10.543 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.471 -2.233 11.102 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.228 -1.258 9.634 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.863 -1.016 7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.126 -2.030 9.114 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.027 -0.633 9.199 1.00 0.00 H new ATOM 311 N LEU A 40 -8.378 -5.035 7.017 1.00 0.00 N ATOM 312 CA LEU A 40 -8.931 -6.184 6.310 1.00 0.00 C ATOM 313 C LEU A 40 -7.853 -7.235 6.032 1.00 0.00 C ATOM 314 O LEU A 40 -8.082 -8.431 6.214 1.00 0.00 O ATOM 315 CB LEU A 40 -9.579 -5.716 4.995 1.00 0.00 C ATOM 316 CG LEU A 40 -10.979 -5.124 5.275 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.358 -4.139 4.166 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.028 -6.247 5.319 1.00 0.00 C ATOM 0 H LEU A 40 -8.308 -4.182 6.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.689 -6.648 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.948 -4.967 4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.662 -6.554 4.303 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.953 -4.609 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.346 -3.725 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.626 -3.332 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.372 -4.658 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -13.011 -5.819 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.045 -6.767 4.361 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.773 -6.952 6.110 1.00 0.00 H new ATOM 330 N TRP A 41 -6.681 -6.785 5.583 1.00 0.00 N ATOM 331 CA TRP A 41 -5.582 -7.698 5.278 1.00 0.00 C ATOM 332 C TRP A 41 -4.998 -8.327 6.547 1.00 0.00 C ATOM 333 O TRP A 41 -4.766 -9.538 6.596 1.00 0.00 O ATOM 334 CB TRP A 41 -4.495 -6.950 4.494 1.00 0.00 C ATOM 335 CG TRP A 41 -3.253 -7.779 4.421 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.014 -8.755 3.518 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.064 -7.695 5.256 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.766 -9.295 3.766 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.140 -8.670 4.825 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.705 -6.875 6.341 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.094 -8.829 5.446 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.458 -7.029 6.967 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.437 -8.006 6.518 1.00 0.00 C ATOM 0 H TRP A 41 -6.470 -5.800 5.424 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.973 -8.512 4.668 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.851 -6.724 3.489 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.278 -5.997 4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.687 -9.063 2.732 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.358 -10.062 3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.393 -6.122 6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.783 -9.586 5.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.189 -6.392 7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.395 -8.123 7.002 1.00 0.00 H new ATOM 354 N ILE A 42 -4.743 -7.507 7.556 1.00 0.00 N ATOM 355 CA ILE A 42 -4.168 -8.006 8.801 1.00 0.00 C ATOM 356 C ILE A 42 -5.128 -8.997 9.465 1.00 0.00 C ATOM 357 O ILE A 42 -4.709 -10.031 9.982 1.00 0.00 O ATOM 358 CB ILE A 42 -3.872 -6.826 9.746 1.00 0.00 C ATOM 359 CG1 ILE A 42 -2.909 -7.272 10.867 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.179 -6.321 10.364 1.00 0.00 C ATOM 361 CD1 ILE A 42 -1.455 -7.148 10.392 1.00 0.00 C ATOM 0 H ILE A 42 -4.922 -6.503 7.541 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.235 -8.525 8.583 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.405 -6.024 9.175 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.063 -6.659 11.755 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.121 -8.303 11.150 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.967 -5.486 11.032 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.852 -5.991 9.573 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.650 -7.126 10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.783 -7.465 11.190 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.303 -7.780 9.517 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.245 -6.111 10.131 1.00 0.00 H new ATOM 373 N LEU A 43 -6.418 -8.671 9.436 1.00 0.00 N ATOM 374 CA LEU A 43 -7.433 -9.536 10.023 1.00 0.00 C ATOM 375 C LEU A 43 -7.468 -10.881 9.300 1.00 0.00 C ATOM 376 O LEU A 43 -7.657 -11.921 9.921 1.00 0.00 O ATOM 377 CB LEU A 43 -8.811 -8.864 9.951 1.00 0.00 C ATOM 378 CG LEU A 43 -8.943 -7.808 11.067 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.205 -6.969 10.829 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.027 -8.493 12.451 1.00 0.00 C ATOM 0 H LEU A 43 -6.782 -7.817 9.014 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.179 -9.707 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.945 -8.394 8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.596 -9.613 10.054 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.064 -7.163 11.049 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.299 -6.222 11.617 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.133 -6.470 9.863 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.081 -7.618 10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.120 -7.734 13.228 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.896 -9.150 12.480 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.124 -9.079 12.622 1.00 0.00 H new ATOM 633 N VAL B 28 0.453 11.449 -7.833 1.00 0.00 N ATOM 634 CA VAL B 28 -0.852 11.138 -8.405 1.00 0.00 C ATOM 635 C VAL B 28 -0.903 9.683 -8.863 1.00 0.00 C ATOM 636 O VAL B 28 -1.886 8.983 -8.622 1.00 0.00 O ATOM 637 CB VAL B 28 -1.130 12.062 -9.592 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.463 11.679 -10.237 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.199 13.511 -9.103 1.00 0.00 C ATOM 0 HA VAL B 28 -1.613 11.290 -7.639 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.330 11.962 -10.325 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.661 12.338 -11.083 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.416 10.647 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.264 11.779 -9.504 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.397 14.171 -9.948 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.999 13.610 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.250 13.785 -8.643 1.00 0.00 H new ATOM 649 N ALA B 29 0.158 9.236 -9.526 1.00 0.00 N ATOM 650 CA ALA B 29 0.217 7.862 -10.014 1.00 0.00 C ATOM 651 C ALA B 29 0.104 6.877 -8.855 1.00 0.00 C ATOM 652 O ALA B 29 -0.558 5.847 -8.968 1.00 0.00 O ATOM 653 CB ALA B 29 1.536 7.626 -10.757 1.00 0.00 C ATOM 0 H ALA B 29 0.982 9.799 -9.737 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.618 7.703 -10.696 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.572 6.598 -11.118 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.605 8.310 -11.603 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.372 7.802 -10.080 1.00 0.00 H new ATOM 659 N ALA B 30 0.751 7.198 -7.743 1.00 0.00 N ATOM 660 CA ALA B 30 0.714 6.323 -6.579 1.00 0.00 C ATOM 661 C ALA B 30 -0.722 6.134 -6.102 1.00 0.00 C ATOM 662 O ALA B 30 -1.120 5.031 -5.728 1.00 0.00 O ATOM 663 CB ALA B 30 1.558 6.919 -5.450 1.00 0.00 C ATOM 0 H ALA B 30 1.302 8.048 -7.622 1.00 0.00 H new ATOM 0 HA ALA B 30 1.123 5.353 -6.861 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.525 6.259 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.590 7.027 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.161 7.897 -5.176 1.00 0.00 H new ATOM 669 N ASN B 31 -1.494 7.214 -6.108 1.00 0.00 N ATOM 670 CA ASN B 31 -2.879 7.141 -5.665 1.00 0.00 C ATOM 671 C ASN B 31 -3.692 6.224 -6.579 1.00 0.00 C ATOM 672 O ASN B 31 -4.442 5.372 -6.106 1.00 0.00 O ATOM 673 CB ASN B 31 -3.498 8.544 -5.672 1.00 0.00 C ATOM 674 CG ASN B 31 -2.980 9.351 -4.486 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.437 8.787 -3.537 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.117 10.649 -4.485 1.00 0.00 N ATOM 0 H ASN B 31 -1.189 8.139 -6.411 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.897 6.734 -4.654 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.252 9.054 -6.604 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.585 8.471 -5.625 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.774 11.197 -3.697 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.567 11.115 -5.273 1.00 0.00 H new ATOM 683 N ILE B 32 -3.539 6.400 -7.889 1.00 0.00 N ATOM 684 CA ILE B 32 -4.272 5.586 -8.856 1.00 0.00 C ATOM 685 C ILE B 32 -3.866 4.118 -8.738 1.00 0.00 C ATOM 686 O ILE B 32 -4.713 3.226 -8.760 1.00 0.00 O ATOM 687 CB ILE B 32 -3.999 6.091 -10.276 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.609 7.484 -10.441 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.638 5.139 -11.293 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.117 8.110 -11.748 1.00 0.00 C ATOM 0 H ILE B 32 -2.918 7.095 -8.304 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.338 5.670 -8.644 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.923 6.135 -10.445 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.697 7.417 -10.445 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.332 8.115 -9.597 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.442 5.500 -12.303 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.213 4.142 -11.176 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.714 5.096 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.553 9.102 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.030 8.192 -11.726 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.417 7.483 -12.587 1.00 0.00 H new ATOM 702 N ILE B 33 -2.567 3.884 -8.613 1.00 0.00 N ATOM 703 CA ILE B 33 -2.050 2.526 -8.488 1.00 0.00 C ATOM 704 C ILE B 33 -2.582 1.868 -7.217 1.00 0.00 C ATOM 705 O ILE B 33 -2.959 0.696 -7.228 1.00 0.00 O ATOM 706 CB ILE B 33 -0.519 2.553 -8.470 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.002 2.979 -9.846 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.018 1.162 -8.139 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.496 3.294 -9.748 1.00 0.00 C ATOM 0 H ILE B 33 -1.854 4.613 -8.595 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.385 1.941 -9.345 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.183 3.262 -7.714 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.167 2.184 -10.573 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.543 3.855 -10.199 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.108 1.186 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.349 0.854 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.321 0.452 -8.893 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.869 3.597 -10.726 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.651 4.103 -9.034 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.034 2.407 -9.414 1.00 0.00 H new ATOM 721 N GLY B 34 -2.599 2.621 -6.120 1.00 0.00 N ATOM 722 CA GLY B 34 -3.075 2.080 -4.851 1.00 0.00 C ATOM 723 C GLY B 34 -4.469 1.476 -5.003 1.00 0.00 C ATOM 724 O GLY B 34 -4.730 0.377 -4.518 1.00 0.00 O ATOM 0 H GLY B 34 -2.293 3.593 -6.084 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.382 1.319 -4.493 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -3.097 2.870 -4.100 1.00 0.00 H new ATOM 728 N ILE B 35 -5.357 2.189 -5.689 1.00 0.00 N ATOM 729 CA ILE B 35 -6.716 1.693 -5.902 1.00 0.00 C ATOM 730 C ILE B 35 -6.695 0.445 -6.786 1.00 0.00 C ATOM 731 O ILE B 35 -7.417 -0.517 -6.532 1.00 0.00 O ATOM 732 CB ILE B 35 -7.584 2.767 -6.559 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.515 4.069 -5.743 1.00 0.00 C ATOM 734 CG2 ILE B 35 -9.035 2.278 -6.641 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.893 3.823 -4.280 1.00 0.00 C ATOM 0 H ILE B 35 -5.166 3.101 -6.103 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.139 1.439 -4.930 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.213 2.961 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -6.508 4.483 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.188 4.809 -6.176 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.652 3.045 -7.110 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -9.078 1.365 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.408 2.076 -5.637 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.836 4.760 -3.727 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -8.909 3.432 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.204 3.101 -3.843 1.00 0.00 H new ATOM 747 N LEU B 36 -5.867 0.481 -7.832 1.00 0.00 N ATOM 748 CA LEU B 36 -5.765 -0.644 -8.760 1.00 0.00 C ATOM 749 C LEU B 36 -5.342 -1.910 -8.014 1.00 0.00 C ATOM 750 O LEU B 36 -5.810 -3.012 -8.311 1.00 0.00 O ATOM 751 CB LEU B 36 -4.745 -0.327 -9.867 1.00 0.00 C ATOM 752 CG LEU B 36 -4.996 -1.230 -11.100 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.029 -0.581 -12.029 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.689 -1.432 -11.875 1.00 0.00 C ATOM 0 H LEU B 36 -5.262 1.271 -8.056 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.742 -0.810 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.822 0.722 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.733 -0.482 -9.494 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.371 -2.193 -10.753 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.197 -1.225 -12.892 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.967 -0.443 -11.491 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.658 0.387 -12.365 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.874 -2.068 -12.741 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.311 -0.466 -12.209 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.951 -1.906 -11.227 1.00 0.00 H new ATOM 766 N HIS B 37 -4.455 -1.748 -7.043 1.00 0.00 N ATOM 767 CA HIS B 37 -3.992 -2.884 -6.256 1.00 0.00 C ATOM 768 C HIS B 37 -5.121 -3.454 -5.399 1.00 0.00 C ATOM 769 O HIS B 37 -5.263 -4.670 -5.278 1.00 0.00 O ATOM 770 CB HIS B 37 -2.835 -2.461 -5.349 1.00 0.00 C ATOM 771 CG HIS B 37 -2.372 -3.649 -4.553 1.00 0.00 C ATOM 772 ND1 HIS B 37 -3.008 -4.423 -3.613 1.00 0.00 N flip ATOM 773 CD2 HIS B 37 -1.099 -4.176 -4.681 1.00 0.00 C flip ATOM 774 CE1 HIS B 37 -2.144 -5.413 -3.162 1.00 0.00 C flip ATOM 775 NE2 HIS B 37 -1.010 -5.220 -3.835 1.00 0.00 N flip ATOM 0 H HIS B 37 -4.044 -0.851 -6.782 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.653 -3.654 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -2.014 -2.066 -5.947 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.155 -1.662 -4.680 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.321 -3.817 -5.338 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.348 -6.175 -2.424 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -0.175 -5.794 -3.723 1.00 0.00 H new ATOM 783 N LEU B 38 -5.898 -2.571 -4.778 1.00 0.00 N ATOM 784 CA LEU B 38 -6.986 -3.006 -3.899 1.00 0.00 C ATOM 785 C LEU B 38 -8.024 -3.844 -4.650 1.00 0.00 C ATOM 786 O LEU B 38 -8.452 -4.887 -4.160 1.00 0.00 O ATOM 787 CB LEU B 38 -7.660 -1.767 -3.251 1.00 0.00 C ATOM 788 CG LEU B 38 -7.312 -1.670 -1.758 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.618 -0.265 -1.247 1.00 0.00 C ATOM 790 CD2 LEU B 38 -8.145 -2.686 -0.964 1.00 0.00 C ATOM 0 H LEU B 38 -5.799 -1.559 -4.864 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.559 -3.639 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.335 -0.862 -3.764 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.741 -1.831 -3.373 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.251 -1.884 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.370 -0.201 -0.188 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.026 0.461 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.678 -0.051 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.895 -2.614 0.094 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -9.205 -2.474 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.927 -3.693 -1.320 1.00 0.00 H new ATOM 802 N ILE B 39 -8.421 -3.394 -5.828 1.00 0.00 N ATOM 803 CA ILE B 39 -9.408 -4.129 -6.607 1.00 0.00 C ATOM 804 C ILE B 39 -8.869 -5.507 -6.984 1.00 0.00 C ATOM 805 O ILE B 39 -9.589 -6.500 -6.942 1.00 0.00 O ATOM 806 CB ILE B 39 -9.786 -3.330 -7.855 1.00 0.00 C ATOM 807 CG1 ILE B 39 -8.518 -2.937 -8.607 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.532 -2.064 -7.433 1.00 0.00 C ATOM 809 CD1 ILE B 39 -8.873 -2.194 -9.894 1.00 0.00 C ATOM 0 H ILE B 39 -8.082 -2.536 -6.263 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.304 -4.272 -6.003 1.00 0.00 H new ATOM 0 HB ILE B 39 -10.422 -3.936 -8.500 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -7.893 -2.306 -7.975 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -7.936 -3.828 -8.842 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.804 -1.490 -8.319 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -11.434 -2.338 -6.887 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -9.890 -1.460 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -7.958 -1.920 -10.420 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.479 -2.839 -10.531 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -9.436 -1.293 -9.650 1.00 0.00 H new ATOM 821 N LEU B 40 -7.599 -5.566 -7.366 1.00 0.00 N ATOM 822 CA LEU B 40 -6.994 -6.836 -7.742 1.00 0.00 C ATOM 823 C LEU B 40 -6.789 -7.738 -6.519 1.00 0.00 C ATOM 824 O LEU B 40 -7.069 -8.934 -6.567 1.00 0.00 O ATOM 825 CB LEU B 40 -5.652 -6.579 -8.449 1.00 0.00 C ATOM 826 CG LEU B 40 -5.897 -6.180 -9.921 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.719 -5.356 -10.440 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.044 -7.440 -10.793 1.00 0.00 C ATOM 0 H LEU B 40 -6.976 -4.761 -7.423 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.670 -7.352 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.107 -5.787 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.031 -7.474 -8.405 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.812 -5.590 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.899 -5.078 -11.479 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.612 -4.455 -9.837 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.805 -5.947 -10.375 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.216 -7.148 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -5.132 -8.034 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.888 -8.032 -10.438 1.00 0.00 H new ATOM 840 N TRP B 41 -6.297 -7.155 -5.425 1.00 0.00 N ATOM 841 CA TRP B 41 -6.056 -7.916 -4.204 1.00 0.00 C ATOM 842 C TRP B 41 -7.363 -8.346 -3.532 1.00 0.00 C ATOM 843 O TRP B 41 -7.507 -9.501 -3.124 1.00 0.00 O ATOM 844 CB TRP B 41 -5.200 -7.082 -3.238 1.00 0.00 C ATOM 845 CG TRP B 41 -5.180 -7.722 -1.887 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.358 -8.724 -1.508 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.993 -7.395 -0.724 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.635 -9.052 -0.191 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.632 -8.254 0.334 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.003 -6.443 -0.493 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.250 -8.176 1.579 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.623 -6.359 0.764 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.248 -7.225 1.795 1.00 0.00 C ATOM 0 H TRP B 41 -6.060 -6.165 -5.362 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.520 -8.826 -4.472 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.184 -6.995 -3.623 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.601 -6.071 -3.164 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.609 -9.192 -2.129 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.161 -9.792 0.327 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.303 -5.774 -1.286 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.959 -8.848 2.373 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.393 -5.622 0.935 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.731 -7.158 2.759 1.00 0.00 H new ATOM 864 N ILE B 42 -8.300 -7.419 -3.404 1.00 0.00 N ATOM 865 CA ILE B 42 -9.574 -7.725 -2.763 1.00 0.00 C ATOM 866 C ILE B 42 -10.326 -8.789 -3.565 1.00 0.00 C ATOM 867 O ILE B 42 -10.919 -9.706 -2.997 1.00 0.00 O ATOM 868 CB ILE B 42 -10.417 -6.442 -2.645 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.561 -6.647 -1.629 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.006 -6.087 -4.015 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.063 -6.352 -0.208 1.00 0.00 C ATOM 0 H ILE B 42 -8.206 -6.457 -3.731 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.387 -8.117 -1.763 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.778 -5.629 -2.300 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.397 -5.991 -1.873 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.931 -7.671 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.603 -5.179 -3.930 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.197 -5.925 -4.728 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.637 -6.905 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -11.878 -6.500 0.501 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.242 -7.026 0.037 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.715 -5.321 -0.151 1.00 0.00 H new ATOM 883 N LEU B 43 -10.282 -8.663 -4.887 1.00 0.00 N ATOM 884 CA LEU B 43 -10.950 -9.620 -5.764 1.00 0.00 C ATOM 885 C LEU B 43 -10.337 -11.010 -5.598 1.00 0.00 C ATOM 886 O LEU B 43 -11.043 -12.013 -5.629 1.00 0.00 O ATOM 887 CB LEU B 43 -10.836 -9.167 -7.227 1.00 0.00 C ATOM 888 CG LEU B 43 -11.863 -8.056 -7.517 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.571 -7.436 -8.892 1.00 0.00 C ATOM 890 CD2 LEU B 43 -13.300 -8.633 -7.502 1.00 0.00 C ATOM 0 H LEU B 43 -9.793 -7.912 -5.374 1.00 0.00 H new ATOM 0 HA LEU B 43 -12.004 -9.666 -5.489 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.828 -8.803 -7.426 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -11.006 -10.013 -7.893 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.784 -7.291 -6.745 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.297 -6.650 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.567 -7.012 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.642 -8.206 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -14.014 -7.836 -7.708 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.389 -9.407 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.509 -9.063 -6.522 1.00 0.00 H new ATOM 1143 N VAL C 28 8.714 10.653 -0.891 1.00 0.00 N ATOM 1144 CA VAL C 28 9.238 10.121 -2.142 1.00 0.00 C ATOM 1145 C VAL C 28 9.570 8.638 -1.997 1.00 0.00 C ATOM 1146 O VAL C 28 9.256 7.835 -2.876 1.00 0.00 O ATOM 1147 CB VAL C 28 10.494 10.891 -2.550 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.084 10.278 -3.820 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.130 12.355 -2.813 1.00 0.00 C ATOM 0 HA VAL C 28 8.476 10.236 -2.913 1.00 0.00 H new ATOM 0 HB VAL C 28 11.229 10.835 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.979 10.829 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.344 9.236 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.350 10.331 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.024 12.906 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.394 12.408 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.712 12.794 -1.907 1.00 0.00 H new ATOM 1159 N ALA C 29 10.209 8.284 -0.887 1.00 0.00 N ATOM 1160 CA ALA C 29 10.580 6.893 -0.645 1.00 0.00 C ATOM 1161 C ALA C 29 9.341 6.006 -0.617 1.00 0.00 C ATOM 1162 O ALA C 29 9.357 4.891 -1.132 1.00 0.00 O ATOM 1163 CB ALA C 29 11.323 6.777 0.690 1.00 0.00 C ATOM 0 H ALA C 29 10.479 8.933 -0.147 1.00 0.00 H new ATOM 0 HA ALA C 29 11.231 6.563 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.597 5.737 0.865 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.224 7.389 0.659 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.677 7.122 1.497 1.00 0.00 H new ATOM 1169 N ALA C 30 8.270 6.505 -0.014 1.00 0.00 N ATOM 1170 CA ALA C 30 7.036 5.736 0.071 1.00 0.00 C ATOM 1171 C ALA C 30 6.520 5.398 -1.321 1.00 0.00 C ATOM 1172 O ALA C 30 6.048 4.287 -1.563 1.00 0.00 O ATOM 1173 CB ALA C 30 5.975 6.537 0.834 1.00 0.00 C ATOM 0 H ALA C 30 8.230 7.428 0.419 1.00 0.00 H new ATOM 0 HA ALA C 30 7.242 4.807 0.603 1.00 0.00 H new ATOM 0 HB1 ALA C 30 5.054 5.957 0.894 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.335 6.752 1.840 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.780 7.473 0.311 1.00 0.00 H new ATOM 1179 N ASN C 31 6.606 6.358 -2.233 1.00 0.00 N ATOM 1180 CA ASN C 31 6.136 6.137 -3.595 1.00 0.00 C ATOM 1181 C ASN C 31 6.956 5.044 -4.282 1.00 0.00 C ATOM 1182 O ASN C 31 6.399 4.144 -4.907 1.00 0.00 O ATOM 1183 CB ASN C 31 6.250 7.437 -4.398 1.00 0.00 C ATOM 1184 CG ASN C 31 5.146 8.407 -3.993 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.160 8.003 -3.375 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.252 9.669 -4.307 1.00 0.00 N ATOM 0 H ASN C 31 6.992 7.286 -2.058 1.00 0.00 H new ATOM 0 HA ASN C 31 5.094 5.818 -3.552 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.225 7.893 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.181 7.221 -5.464 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.517 10.324 -4.041 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.070 10.000 -4.819 1.00 0.00 H new ATOM 1193 N ILE C 32 8.278 5.126 -4.159 1.00 0.00 N ATOM 1194 CA ILE C 32 9.159 4.139 -4.778 1.00 0.00 C ATOM 1195 C ILE C 32 8.925 2.758 -4.177 1.00 0.00 C ATOM 1196 O ILE C 32 8.858 1.759 -4.894 1.00 0.00 O ATOM 1197 CB ILE C 32 10.623 4.550 -4.584 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.895 5.829 -5.379 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.545 3.437 -5.090 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.258 6.399 -4.983 1.00 0.00 C ATOM 0 H ILE C 32 8.761 5.860 -3.640 1.00 0.00 H new ATOM 0 HA ILE C 32 8.935 4.096 -5.844 1.00 0.00 H new ATOM 0 HB ILE C 32 10.813 4.723 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.875 5.616 -6.448 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.113 6.563 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.584 3.734 -4.950 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.351 2.521 -4.531 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.357 3.262 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.450 7.310 -5.550 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.261 6.628 -3.917 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.036 5.666 -5.199 1.00 0.00 H new ATOM 1212 N ILE C 33 8.801 2.714 -2.858 1.00 0.00 N ATOM 1213 CA ILE C 33 8.571 1.455 -2.161 1.00 0.00 C ATOM 1214 C ILE C 33 7.240 0.843 -2.593 1.00 0.00 C ATOM 1215 O ILE C 33 7.146 -0.366 -2.808 1.00 0.00 O ATOM 1216 CB ILE C 33 8.581 1.693 -0.647 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.996 2.059 -0.194 1.00 0.00 C ATOM 1218 CG2 ILE C 33 8.134 0.424 0.074 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.950 2.577 1.244 1.00 0.00 C ATOM 0 H ILE C 33 8.855 3.532 -2.250 1.00 0.00 H new ATOM 0 HA ILE C 33 9.369 0.757 -2.417 1.00 0.00 H new ATOM 0 HB ILE C 33 7.899 2.509 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.647 1.187 -0.258 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.416 2.819 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE C 33 8.142 0.595 1.150 1.00 0.00 H new ATOM 0 HG22 ILE C 33 7.125 0.161 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.815 -0.391 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.957 2.838 1.569 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.312 3.460 1.293 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.548 1.803 1.897 1.00 0.00 H new ATOM 1231 N GLY C 34 6.211 1.675 -2.705 1.00 0.00 N ATOM 1232 CA GLY C 34 4.893 1.185 -3.097 1.00 0.00 C ATOM 1233 C GLY C 34 4.970 0.387 -4.395 1.00 0.00 C ATOM 1234 O GLY C 34 4.390 -0.691 -4.501 1.00 0.00 O ATOM 0 H GLY C 34 6.261 2.679 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.484 0.558 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.211 2.026 -3.223 1.00 0.00 H new ATOM 1238 N ILE C 35 5.699 0.912 -5.376 1.00 0.00 N ATOM 1239 CA ILE C 35 5.846 0.218 -6.655 1.00 0.00 C ATOM 1240 C ILE C 35 6.623 -1.086 -6.467 1.00 0.00 C ATOM 1241 O ILE C 35 6.276 -2.113 -7.050 1.00 0.00 O ATOM 1242 CB ILE C 35 6.576 1.104 -7.666 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.872 2.468 -7.773 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.595 0.416 -9.036 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.386 2.296 -8.110 1.00 0.00 C ATOM 0 H ILE C 35 6.192 1.803 -5.314 1.00 0.00 H new ATOM 0 HA ILE C 35 4.849 -0.009 -7.034 1.00 0.00 H new ATOM 0 HB ILE C 35 7.601 1.261 -7.330 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.975 3.009 -6.832 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.355 3.071 -8.542 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.116 1.050 -9.754 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.111 -0.541 -8.955 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.572 0.250 -9.374 1.00 0.00 H new ATOM 0 HD11 ILE C 35 3.913 3.276 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE C 35 4.287 1.777 -9.063 1.00 0.00 H new ATOM 0 HD13 ILE C 35 3.900 1.713 -7.327 1.00 0.00 H new ATOM 1257 N LEU C 36 7.681 -1.029 -5.658 1.00 0.00 N ATOM 1258 CA LEU C 36 8.514 -2.203 -5.406 1.00 0.00 C ATOM 1259 C LEU C 36 7.667 -3.334 -4.812 1.00 0.00 C ATOM 1260 O LEU C 36 7.863 -4.508 -5.125 1.00 0.00 O ATOM 1261 CB LEU C 36 9.660 -1.848 -4.443 1.00 0.00 C ATOM 1262 CG LEU C 36 10.805 -2.880 -4.574 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.772 -2.454 -5.687 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.580 -2.970 -3.255 1.00 0.00 C ATOM 0 H LEU C 36 7.980 -0.186 -5.168 1.00 0.00 H new ATOM 0 HA LEU C 36 8.939 -2.536 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.034 -0.848 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.291 -1.831 -3.417 1.00 0.00 H new ATOM 0 HG LEU C 36 10.372 -3.851 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.575 -3.187 -5.772 1.00 0.00 H new ATOM 0 HD12 LEU C 36 11.234 -2.394 -6.633 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.195 -1.478 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.385 -3.699 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.002 -1.994 -3.014 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.906 -3.281 -2.457 1.00 0.00 H new ATOM 1276 N HIS C 37 6.729 -2.971 -3.951 1.00 0.00 N ATOM 1277 CA HIS C 37 5.855 -3.959 -3.334 1.00 0.00 C ATOM 1278 C HIS C 37 4.935 -4.601 -4.372 1.00 0.00 C ATOM 1279 O HIS C 37 4.710 -5.811 -4.346 1.00 0.00 O ATOM 1280 CB HIS C 37 5.005 -3.306 -2.245 1.00 0.00 C ATOM 1281 CG HIS C 37 4.116 -4.343 -1.621 1.00 0.00 C ATOM 1282 ND1 HIS C 37 3.106 -5.116 -2.141 1.00 0.00 N flip ATOM 1283 CD2 HIS C 37 4.210 -4.693 -0.286 1.00 0.00 C flip ATOM 1284 CE1 HIS C 37 2.580 -5.927 -1.145 1.00 0.00 C flip ATOM 1285 NE2 HIS C 37 3.279 -5.635 -0.050 1.00 0.00 N flip ATOM 0 H HIS C 37 6.553 -2.008 -3.665 1.00 0.00 H new ATOM 0 HA HIS C 37 6.484 -4.732 -2.894 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.647 -2.857 -1.487 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.403 -2.503 -2.670 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.903 -4.285 0.434 1.00 0.00 H new ATOM 0 HE1 HIS C 37 1.776 -6.642 -1.238 1.00 0.00 H new ATOM 0 HE2 HIS C 37 3.127 -6.073 0.859 1.00 0.00 H new ATOM 1293 N LEU C 38 4.377 -3.783 -5.260 1.00 0.00 N ATOM 1294 CA LEU C 38 3.449 -4.283 -6.275 1.00 0.00 C ATOM 1295 C LEU C 38 4.109 -5.318 -7.188 1.00 0.00 C ATOM 1296 O LEU C 38 3.525 -6.362 -7.469 1.00 0.00 O ATOM 1297 CB LEU C 38 2.898 -3.096 -7.113 1.00 0.00 C ATOM 1298 CG LEU C 38 1.422 -2.824 -6.775 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.029 -1.434 -7.273 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.535 -3.872 -7.459 1.00 0.00 C ATOM 0 H LEU C 38 4.548 -2.778 -5.299 1.00 0.00 H new ATOM 0 HA LEU C 38 2.625 -4.780 -5.762 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.491 -2.202 -6.918 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.997 -3.319 -8.175 1.00 0.00 H new ATOM 0 HG LEU C 38 1.287 -2.878 -5.695 1.00 0.00 H new ATOM 0 HD11 LEU C 38 -0.017 -1.244 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.655 -0.684 -6.790 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.168 -1.382 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.510 -3.677 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.675 -3.818 -8.539 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.809 -4.866 -7.107 1.00 0.00 H new ATOM 1312 N ILE C 39 5.315 -5.030 -7.650 1.00 0.00 N ATOM 1313 CA ILE C 39 6.014 -5.957 -8.528 1.00 0.00 C ATOM 1314 C ILE C 39 6.282 -7.277 -7.805 1.00 0.00 C ATOM 1315 O ILE C 39 6.146 -8.350 -8.385 1.00 0.00 O ATOM 1316 CB ILE C 39 7.321 -5.327 -9.015 1.00 0.00 C ATOM 1317 CG1 ILE C 39 8.119 -4.831 -7.815 1.00 0.00 C ATOM 1318 CG2 ILE C 39 6.998 -4.141 -9.924 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.462 -4.258 -8.269 1.00 0.00 C ATOM 0 H ILE C 39 5.826 -4.173 -7.436 1.00 0.00 H new ATOM 0 HA ILE C 39 5.387 -6.168 -9.394 1.00 0.00 H new ATOM 0 HB ILE C 39 7.903 -6.068 -9.564 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.552 -4.067 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE C 39 8.284 -5.651 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE C 39 7.925 -3.688 -10.274 1.00 0.00 H new ATOM 0 HG22 ILE C 39 6.417 -4.486 -10.779 1.00 0.00 H new ATOM 0 HG23 ILE C 39 6.421 -3.403 -9.367 1.00 0.00 H new ATOM 0 HD11 ILE C 39 10.020 -3.908 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.034 -5.032 -8.780 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.290 -3.425 -8.950 1.00 0.00 H new ATOM 1331 N LEU C 40 6.674 -7.196 -6.541 1.00 0.00 N ATOM 1332 CA LEU C 40 6.951 -8.400 -5.767 1.00 0.00 C ATOM 1333 C LEU C 40 5.658 -9.154 -5.439 1.00 0.00 C ATOM 1334 O LEU C 40 5.600 -10.377 -5.551 1.00 0.00 O ATOM 1335 CB LEU C 40 7.699 -8.024 -4.478 1.00 0.00 C ATOM 1336 CG LEU C 40 9.195 -7.793 -4.783 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.803 -6.864 -3.726 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.953 -9.131 -4.759 1.00 0.00 C ATOM 0 H LEU C 40 6.806 -6.321 -6.034 1.00 0.00 H new ATOM 0 HA LEU C 40 7.578 -9.062 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.264 -7.123 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.588 -8.818 -3.739 1.00 0.00 H new ATOM 0 HG LEU C 40 9.282 -7.340 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.859 -6.704 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.281 -5.907 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.702 -7.319 -2.741 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.007 -8.956 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.856 -9.587 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.534 -9.800 -5.511 1.00 0.00 H new ATOM 1350 N TRP C 41 4.628 -8.418 -5.023 1.00 0.00 N ATOM 1351 CA TRP C 41 3.348 -9.030 -4.672 1.00 0.00 C ATOM 1352 C TRP C 41 2.623 -9.576 -5.907 1.00 0.00 C ATOM 1353 O TRP C 41 2.116 -10.700 -5.890 1.00 0.00 O ATOM 1354 CB TRP C 41 2.472 -8.004 -3.937 1.00 0.00 C ATOM 1355 CG TRP C 41 1.071 -8.515 -3.827 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.619 -9.357 -2.872 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.071 -8.203 -4.673 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.723 -9.606 -3.098 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.194 -8.911 -4.194 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.238 -7.384 -5.804 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.433 -8.814 -4.811 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.492 -7.278 -6.426 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.585 -7.994 -5.930 1.00 0.00 C ATOM 0 H TRP C 41 4.654 -7.403 -4.921 1.00 0.00 H new ATOM 0 HA TRP C 41 3.542 -9.877 -4.014 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.877 -7.813 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.481 -7.055 -4.473 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.208 -9.768 -2.065 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.294 -10.227 -2.525 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.604 -6.833 -6.197 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.275 -9.370 -4.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.612 -6.641 -7.290 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.548 -7.913 -6.413 1.00 0.00 H new ATOM 1374 N ILE C 42 2.562 -8.777 -6.964 1.00 0.00 N ATOM 1375 CA ILE C 42 1.878 -9.197 -8.182 1.00 0.00 C ATOM 1376 C ILE C 42 2.575 -10.417 -8.787 1.00 0.00 C ATOM 1377 O ILE C 42 1.921 -11.353 -9.249 1.00 0.00 O ATOM 1378 CB ILE C 42 1.856 -8.035 -9.194 1.00 0.00 C ATOM 1379 CG1 ILE C 42 0.807 -8.307 -10.294 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.241 -7.882 -9.831 1.00 0.00 C ATOM 1381 CD1 ILE C 42 -0.575 -7.823 -9.837 1.00 0.00 C ATOM 0 H ILE C 42 2.973 -7.844 -7.005 1.00 0.00 H new ATOM 0 HA ILE C 42 0.852 -9.472 -7.937 1.00 0.00 H new ATOM 0 HB ILE C 42 1.591 -7.115 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.093 -7.797 -11.214 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.772 -9.373 -10.518 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.224 -7.060 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.977 -7.672 -9.055 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.509 -8.805 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -1.307 -8.020 -10.620 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.864 -8.352 -8.929 1.00 0.00 H new ATOM 0 HD13 ILE C 42 -0.537 -6.752 -9.636 1.00 0.00 H new ATOM 1393 N LEU C 43 3.905 -10.402 -8.765 1.00 0.00 N ATOM 1394 CA LEU C 43 4.686 -11.511 -9.300 1.00 0.00 C ATOM 1395 C LEU C 43 4.411 -12.786 -8.504 1.00 0.00 C ATOM 1396 O LEU C 43 4.349 -13.873 -9.066 1.00 0.00 O ATOM 1397 CB LEU C 43 6.184 -11.176 -9.256 1.00 0.00 C ATOM 1398 CG LEU C 43 6.549 -10.244 -10.428 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.976 -9.712 -10.231 1.00 0.00 C ATOM 1400 CD2 LEU C 43 6.459 -11.006 -11.772 1.00 0.00 C ATOM 0 H LEU C 43 4.462 -9.637 -8.384 1.00 0.00 H new ATOM 0 HA LEU C 43 4.392 -11.674 -10.337 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.430 -10.697 -8.309 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.772 -12.092 -9.312 1.00 0.00 H new ATOM 0 HG LEU C 43 5.846 -9.412 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.236 -9.053 -11.059 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.031 -9.157 -9.294 1.00 0.00 H new ATOM 0 HD13 LEU C 43 8.675 -10.548 -10.200 1.00 0.00 H new ATOM 0 HD21 LEU C 43 6.720 -10.334 -12.590 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.151 -11.848 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.443 -11.374 -11.915 1.00 0.00 H new ATOM 1653 N VAL D 28 1.865 11.704 7.257 1.00 0.00 N ATOM 1654 CA VAL D 28 3.074 11.145 7.851 1.00 0.00 C ATOM 1655 C VAL D 28 2.805 9.746 8.393 1.00 0.00 C ATOM 1656 O VAL D 28 3.603 8.830 8.199 1.00 0.00 O ATOM 1657 CB VAL D 28 3.564 12.051 8.979 1.00 0.00 C ATOM 1658 CG1 VAL D 28 4.784 11.418 9.653 1.00 0.00 C ATOM 1659 CG2 VAL D 28 3.952 13.416 8.405 1.00 0.00 C ATOM 0 HA VAL D 28 3.842 11.079 7.080 1.00 0.00 H new ATOM 0 HB VAL D 28 2.768 12.176 9.713 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.132 12.066 10.457 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.510 10.446 10.063 1.00 0.00 H new ATOM 0 HG13 VAL D 28 5.580 11.291 8.919 1.00 0.00 H new ATOM 0 HG21 VAL D 28 4.302 14.063 9.210 1.00 0.00 H new ATOM 0 HG22 VAL D 28 4.747 13.289 7.670 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.084 13.869 7.926 1.00 0.00 H new ATOM 1669 N ALA D 29 1.676 9.586 9.078 1.00 0.00 N ATOM 1670 CA ALA D 29 1.317 8.293 9.648 1.00 0.00 C ATOM 1671 C ALA D 29 1.193 7.240 8.550 1.00 0.00 C ATOM 1672 O ALA D 29 1.607 6.097 8.728 1.00 0.00 O ATOM 1673 CB ALA D 29 -0.012 8.404 10.404 1.00 0.00 C ATOM 0 H ALA D 29 0.999 10.330 9.250 1.00 0.00 H new ATOM 0 HA ALA D 29 2.104 7.991 10.340 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.272 7.434 10.826 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.086 9.135 11.207 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.796 8.723 9.717 1.00 0.00 H new ATOM 1679 N ALA D 30 0.622 7.633 7.419 1.00 0.00 N ATOM 1680 CA ALA D 30 0.450 6.703 6.308 1.00 0.00 C ATOM 1681 C ALA D 30 1.800 6.169 5.849 1.00 0.00 C ATOM 1682 O ALA D 30 1.938 4.983 5.545 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.249 7.406 5.140 1.00 0.00 C ATOM 0 H ALA D 30 0.274 8.576 7.246 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.164 5.868 6.647 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.373 6.705 4.315 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -1.227 7.763 5.463 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.355 8.251 4.810 1.00 0.00 H new ATOM 1689 N ASN D 31 2.794 7.048 5.795 1.00 0.00 N ATOM 1690 CA ASN D 31 4.124 6.640 5.361 1.00 0.00 C ATOM 1691 C ASN D 31 4.723 5.621 6.331 1.00 0.00 C ATOM 1692 O ASN D 31 5.260 4.597 5.912 1.00 0.00 O ATOM 1693 CB ASN D 31 5.040 7.865 5.283 1.00 0.00 C ATOM 1694 CG ASN D 31 4.702 8.697 4.050 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.033 8.214 3.136 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.128 9.928 3.971 1.00 0.00 N ATOM 0 H ASN D 31 2.707 8.034 6.042 1.00 0.00 H new ATOM 0 HA ASN D 31 4.038 6.179 4.377 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.927 8.471 6.182 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.082 7.547 5.242 1.00 0.00 H new ATOM 0 HD21 ASN D 31 4.907 10.493 3.151 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.682 10.326 4.730 1.00 0.00 H new ATOM 1703 N ILE D 32 4.626 5.907 7.626 1.00 0.00 N ATOM 1704 CA ILE D 32 5.171 5.006 8.643 1.00 0.00 C ATOM 1705 C ILE D 32 4.448 3.663 8.612 1.00 0.00 C ATOM 1706 O ILE D 32 5.072 2.606 8.691 1.00 0.00 O ATOM 1707 CB ILE D 32 5.035 5.642 10.029 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.945 6.871 10.110 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.457 4.633 11.104 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.621 7.667 11.376 1.00 0.00 C ATOM 0 H ILE D 32 4.180 6.746 7.996 1.00 0.00 H new ATOM 0 HA ILE D 32 6.226 4.836 8.428 1.00 0.00 H new ATOM 0 HB ILE D 32 3.998 5.935 10.193 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.990 6.562 10.120 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.806 7.497 9.229 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.359 5.089 12.089 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.818 3.752 11.047 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.494 4.340 10.941 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.270 8.541 11.432 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.580 7.989 11.347 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.782 7.039 12.252 1.00 0.00 H new ATOM 1722 N ILE D 33 3.127 3.718 8.500 1.00 0.00 N ATOM 1723 CA ILE D 33 2.321 2.507 8.457 1.00 0.00 C ATOM 1724 C ILE D 33 2.675 1.672 7.228 1.00 0.00 C ATOM 1725 O ILE D 33 2.779 0.448 7.311 1.00 0.00 O ATOM 1726 CB ILE D 33 0.834 2.878 8.436 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.437 3.487 9.783 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.003 1.625 8.184 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.952 4.115 9.666 1.00 0.00 C ATOM 0 H ILE D 33 2.594 4.585 8.438 1.00 0.00 H new ATOM 0 HA ILE D 33 2.529 1.912 9.346 1.00 0.00 H new ATOM 0 HB ILE D 33 0.656 3.602 7.641 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.437 2.719 10.556 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.165 4.241 10.083 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.060 1.890 8.169 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.275 1.189 7.225 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.178 0.901 8.978 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.237 4.549 10.624 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.936 4.895 8.905 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.675 3.349 9.386 1.00 0.00 H new ATOM 1741 N GLY D 34 2.846 2.333 6.088 1.00 0.00 N ATOM 1742 CA GLY D 34 3.172 1.626 4.856 1.00 0.00 C ATOM 1743 C GLY D 34 4.398 0.733 5.045 1.00 0.00 C ATOM 1744 O GLY D 34 4.400 -0.423 4.628 1.00 0.00 O ATOM 0 H GLY D 34 2.765 3.345 5.992 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.321 1.020 4.544 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.361 2.345 4.059 1.00 0.00 H new ATOM 1748 N ILE D 35 5.430 1.268 5.689 1.00 0.00 N ATOM 1749 CA ILE D 35 6.645 0.493 5.934 1.00 0.00 C ATOM 1750 C ILE D 35 6.357 -0.660 6.893 1.00 0.00 C ATOM 1751 O ILE D 35 6.845 -1.775 6.699 1.00 0.00 O ATOM 1752 CB ILE D 35 7.739 1.383 6.526 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.954 2.614 5.630 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.045 0.586 6.644 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.256 2.200 4.185 1.00 0.00 C ATOM 0 H ILE D 35 5.452 2.223 6.047 1.00 0.00 H new ATOM 0 HA ILE D 35 6.988 0.091 4.980 1.00 0.00 H new ATOM 0 HB ILE D 35 7.433 1.717 7.517 1.00 0.00 H new ATOM 0 HG12 ILE D 35 7.065 3.244 5.653 1.00 0.00 H new ATOM 0 HG13 ILE D 35 8.778 3.212 6.020 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.823 1.222 7.066 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.888 -0.275 7.294 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.353 0.244 5.656 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.403 3.091 3.575 1.00 0.00 H new ATOM 0 HD12 ILE D 35 9.160 1.591 4.162 1.00 0.00 H new ATOM 0 HD13 ILE D 35 7.420 1.623 3.789 1.00 0.00 H new ATOM 1767 N LEU D 36 5.568 -0.379 7.932 1.00 0.00 N ATOM 1768 CA LEU D 36 5.229 -1.394 8.928 1.00 0.00 C ATOM 1769 C LEU D 36 4.526 -2.578 8.259 1.00 0.00 C ATOM 1770 O LEU D 36 4.738 -3.735 8.625 1.00 0.00 O ATOM 1771 CB LEU D 36 4.319 -0.792 10.011 1.00 0.00 C ATOM 1772 CG LEU D 36 4.375 -1.652 11.296 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.537 -1.194 12.188 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.066 -1.511 12.079 1.00 0.00 C ATOM 0 H LEU D 36 5.155 0.537 8.104 1.00 0.00 H new ATOM 0 HA LEU D 36 6.150 -1.745 9.393 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.632 0.228 10.234 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.294 -0.738 9.646 1.00 0.00 H new ATOM 0 HG LEU D 36 4.522 -2.693 11.008 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.567 -1.806 13.089 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.476 -1.301 11.645 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.394 -0.149 12.464 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.115 -2.120 12.982 1.00 0.00 H new ATOM 0 HD22 LEU D 36 2.917 -0.467 12.353 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.234 -1.846 11.460 1.00 0.00 H new ATOM 1786 N HIS D 37 3.687 -2.280 7.277 1.00 0.00 N ATOM 1787 CA HIS D 37 2.974 -3.329 6.560 1.00 0.00 C ATOM 1788 C HIS D 37 3.936 -4.187 5.742 1.00 0.00 C ATOM 1789 O HIS D 37 3.801 -5.410 5.695 1.00 0.00 O ATOM 1790 CB HIS D 37 1.934 -2.711 5.626 1.00 0.00 C ATOM 1791 CG HIS D 37 1.207 -3.807 4.899 1.00 0.00 C ATOM 1792 ND1 HIS D 37 1.642 -4.759 4.010 1.00 0.00 N flip ATOM 1793 CD2 HIS D 37 -0.152 -4.022 5.047 1.00 0.00 C flip ATOM 1794 CE1 HIS D 37 0.574 -5.551 3.612 1.00 0.00 C flip ATOM 1795 NE2 HIS D 37 -0.481 -5.066 4.264 1.00 0.00 N flip ATOM 0 H HIS D 37 3.484 -1.332 6.961 1.00 0.00 H new ATOM 0 HA HIS D 37 2.480 -3.962 7.297 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.229 -2.107 6.197 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.419 -2.045 4.912 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -0.824 -3.456 5.675 1.00 0.00 H new ATOM 0 HE1 HIS D 37 0.594 -6.382 2.922 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -1.426 -5.441 4.180 1.00 0.00 H new ATOM 1803 N LEU D 38 4.884 -3.538 5.070 1.00 0.00 N ATOM 1804 CA LEU D 38 5.838 -4.257 4.223 1.00 0.00 C ATOM 1805 C LEU D 38 6.668 -5.260 5.025 1.00 0.00 C ATOM 1806 O LEU D 38 6.845 -6.401 4.600 1.00 0.00 O ATOM 1807 CB LEU D 38 6.766 -3.242 3.504 1.00 0.00 C ATOM 1808 CG LEU D 38 6.432 -3.164 2.004 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.037 -1.894 1.410 1.00 0.00 C ATOM 1810 CD2 LEU D 38 7.013 -4.384 1.279 1.00 0.00 C ATOM 0 H LEU D 38 5.013 -2.527 5.093 1.00 0.00 H new ATOM 0 HA LEU D 38 5.272 -4.823 3.483 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.656 -2.257 3.957 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.807 -3.538 3.635 1.00 0.00 H new ATOM 0 HG LEU D 38 5.349 -3.148 1.881 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.800 -1.840 0.348 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.625 -1.022 1.918 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.119 -1.911 1.539 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.774 -4.324 0.217 1.00 0.00 H new ATOM 0 HD22 LEU D 38 8.095 -4.402 1.407 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.583 -5.294 1.697 1.00 0.00 H new ATOM 1822 N ILE D 39 7.171 -4.842 6.174 1.00 0.00 N ATOM 1823 CA ILE D 39 7.976 -5.732 6.997 1.00 0.00 C ATOM 1824 C ILE D 39 7.146 -6.929 7.456 1.00 0.00 C ATOM 1825 O ILE D 39 7.627 -8.060 7.475 1.00 0.00 O ATOM 1826 CB ILE D 39 8.536 -4.964 8.196 1.00 0.00 C ATOM 1827 CG1 ILE D 39 7.397 -4.255 8.919 1.00 0.00 C ATOM 1828 CG2 ILE D 39 9.542 -3.924 7.701 1.00 0.00 C ATOM 1829 CD1 ILE D 39 7.923 -3.540 10.164 1.00 0.00 C ATOM 0 H ILE D 39 7.040 -3.905 6.556 1.00 0.00 H new ATOM 0 HA ILE D 39 8.810 -6.108 6.405 1.00 0.00 H new ATOM 0 HB ILE D 39 9.027 -5.658 8.878 1.00 0.00 H new ATOM 0 HG12 ILE D 39 6.925 -3.535 8.250 1.00 0.00 H new ATOM 0 HG13 ILE D 39 6.631 -4.977 9.202 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.944 -3.374 8.551 1.00 0.00 H new ATOM 0 HG22 ILE D 39 10.355 -4.425 7.176 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.045 -3.231 7.023 1.00 0.00 H new ATOM 0 HD11 ILE D 39 7.099 -3.038 10.671 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.374 -4.268 10.838 1.00 0.00 H new ATOM 0 HD13 ILE D 39 8.672 -2.804 9.872 1.00 0.00 H new ATOM 1841 N LEU D 40 5.899 -6.681 7.835 1.00 0.00 N ATOM 1842 CA LEU D 40 5.028 -7.758 8.283 1.00 0.00 C ATOM 1843 C LEU D 40 4.615 -8.660 7.116 1.00 0.00 C ATOM 1844 O LEU D 40 4.620 -9.885 7.237 1.00 0.00 O ATOM 1845 CB LEU D 40 3.787 -7.165 8.972 1.00 0.00 C ATOM 1846 CG LEU D 40 4.132 -6.745 10.417 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.172 -5.649 10.883 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.006 -7.951 11.365 1.00 0.00 C ATOM 0 H LEU D 40 5.472 -5.755 7.841 1.00 0.00 H new ATOM 0 HA LEU D 40 5.576 -8.373 8.996 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.427 -6.303 8.411 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.981 -7.899 8.981 1.00 0.00 H new ATOM 0 HG LEU D 40 5.156 -6.373 10.434 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.421 -5.357 11.903 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.261 -4.784 10.226 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.149 -6.024 10.852 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.252 -7.642 12.381 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.984 -8.330 11.338 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.693 -8.736 11.048 1.00 0.00 H new ATOM 1860 N TRP D 41 4.251 -8.047 5.990 1.00 0.00 N ATOM 1861 CA TRP D 41 3.831 -8.806 4.816 1.00 0.00 C ATOM 1862 C TRP D 41 5.000 -9.559 4.175 1.00 0.00 C ATOM 1863 O TRP D 41 4.878 -10.738 3.837 1.00 0.00 O ATOM 1864 CB TRP D 41 3.175 -7.859 3.799 1.00 0.00 C ATOM 1865 CG TRP D 41 2.999 -8.557 2.486 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.968 -9.368 2.164 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.853 -8.493 1.312 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.150 -9.827 0.871 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.295 -9.310 0.303 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.050 -7.811 1.026 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.906 -9.448 -0.940 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.662 -7.944 -0.230 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.090 -8.763 -1.208 1.00 0.00 C ATOM 0 H TRP D 41 4.239 -7.034 5.868 1.00 0.00 H new ATOM 0 HA TRP D 41 3.106 -9.554 5.137 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.208 -7.523 4.174 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.792 -6.970 3.667 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.138 -9.617 2.809 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.515 -10.469 0.397 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.501 -7.181 1.778 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.465 -10.083 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.578 -7.412 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.566 -8.865 -2.172 1.00 0.00 H new ATOM 1884 N ILE D 42 6.120 -8.874 3.996 1.00 0.00 N ATOM 1885 CA ILE D 42 7.287 -9.494 3.377 1.00 0.00 C ATOM 1886 C ILE D 42 7.791 -10.651 4.243 1.00 0.00 C ATOM 1887 O ILE D 42 8.156 -11.710 3.735 1.00 0.00 O ATOM 1888 CB ILE D 42 8.395 -8.442 3.185 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.452 -8.959 2.184 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.064 -8.147 4.532 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.019 -8.638 0.749 1.00 0.00 C ATOM 0 H ILE D 42 6.247 -7.899 4.267 1.00 0.00 H new ATOM 0 HA ILE D 42 7.006 -9.891 2.401 1.00 0.00 H new ATOM 0 HB ILE D 42 7.951 -7.528 2.791 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.418 -8.498 2.392 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.580 -10.035 2.302 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.848 -7.402 4.394 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.320 -7.766 5.232 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.500 -9.063 4.930 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.771 -9.007 0.051 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.064 -9.120 0.541 1.00 0.00 H new ATOM 0 HD13 ILE D 42 8.914 -7.559 0.633 1.00 0.00 H new ATOM 1903 N LEU D 43 7.792 -10.440 5.557 1.00 0.00 N ATOM 1904 CA LEU D 43 8.238 -11.466 6.491 1.00 0.00 C ATOM 1905 C LEU D 43 7.327 -12.690 6.407 1.00 0.00 C ATOM 1906 O LEU D 43 7.790 -13.823 6.503 1.00 0.00 O ATOM 1907 CB LEU D 43 8.247 -10.915 7.922 1.00 0.00 C ATOM 1908 CG LEU D 43 9.502 -10.047 8.146 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.374 -9.297 9.479 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.773 -10.930 8.166 1.00 0.00 C ATOM 0 H LEU D 43 7.490 -9.570 5.996 1.00 0.00 H new ATOM 0 HA LEU D 43 9.252 -11.763 6.223 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.349 -10.323 8.098 1.00 0.00 H new ATOM 0 HB3 LEU D 43 8.231 -11.737 8.637 1.00 0.00 H new ATOM 0 HG LEU D 43 9.586 -9.331 7.328 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.261 -8.683 9.638 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.491 -8.659 9.454 1.00 0.00 H new ATOM 0 HD13 LEU D 43 9.279 -10.016 10.293 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.650 -10.302 8.325 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.697 -11.659 8.973 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.868 -11.452 7.214 1.00 0.00 H new