USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 ASN : amide:sc= -2.87! C(o=-2.9!,f=-6.3!) USER MOD Single : A 37 HIS : no HD1:sc= -9.35! C(o=-9.4!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -2.78 K(o=-2.8,f=-6.2!) USER MOD Single : B 37 HIS : no HD1:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -2.92! C(o=-2.9!,f=-6.3!) USER MOD Single : C 37 HIS : no HD1:sc= -9.41! C(o=-9.4!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -2.38 K(o=-2.4,f=-5.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.49! C(o=-9.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.530 12.431 0.535 1.00 0.00 N ATOM 124 CA VAL A 28 -6.253 12.091 1.755 1.00 0.00 C ATOM 125 C VAL A 28 -6.957 10.747 1.603 1.00 0.00 C ATOM 126 O VAL A 28 -6.920 9.911 2.506 1.00 0.00 O ATOM 127 CB VAL A 28 -7.281 13.179 2.071 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.122 12.757 3.280 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.553 14.488 2.392 1.00 0.00 C ATOM 0 HA VAL A 28 -5.537 12.020 2.574 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.932 13.323 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.854 13.534 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.640 11.824 3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.472 12.612 4.143 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.284 15.265 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.902 14.341 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.954 14.791 1.533 1.00 0.00 H new ATOM 139 N ALA A 29 -7.605 10.549 0.458 1.00 0.00 N ATOM 140 CA ALA A 29 -8.320 9.304 0.204 1.00 0.00 C ATOM 141 C ALA A 29 -7.362 8.120 0.203 1.00 0.00 C ATOM 142 O ALA A 29 -7.660 7.069 0.762 1.00 0.00 O ATOM 143 CB ALA A 29 -9.034 9.376 -1.147 1.00 0.00 C ATOM 0 H ALA A 29 -7.649 11.228 -0.302 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.052 9.165 1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.565 8.442 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.745 10.202 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.301 9.536 -1.938 1.00 0.00 H new ATOM 149 N ALA A 30 -6.206 8.296 -0.425 1.00 0.00 N ATOM 150 CA ALA A 30 -5.222 7.223 -0.489 1.00 0.00 C ATOM 151 C ALA A 30 -4.796 6.806 0.914 1.00 0.00 C ATOM 152 O ALA A 30 -4.661 5.617 1.201 1.00 0.00 O ATOM 153 CB ALA A 30 -3.997 7.685 -1.280 1.00 0.00 C ATOM 0 H ALA A 30 -5.929 9.160 -0.892 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.675 6.367 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.266 6.878 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.298 7.956 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.552 8.551 -0.789 1.00 0.00 H new ATOM 159 N ASN A 31 -4.590 7.787 1.784 1.00 0.00 N ATOM 160 CA ASN A 31 -4.183 7.498 3.152 1.00 0.00 C ATOM 161 C ASN A 31 -5.278 6.724 3.883 1.00 0.00 C ATOM 162 O ASN A 31 -5.001 5.753 4.590 1.00 0.00 O ATOM 163 CB ASN A 31 -3.897 8.804 3.895 1.00 0.00 C ATOM 164 CG ASN A 31 -2.627 9.449 3.348 1.00 0.00 C ATOM 165 OD1 ASN A 31 -1.819 8.779 2.702 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.404 10.714 3.566 1.00 0.00 N ATOM 0 H ASN A 31 -4.697 8.779 1.570 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.279 6.889 3.124 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.739 9.487 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.785 8.608 4.961 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.558 11.153 3.202 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.075 11.265 4.101 1.00 0.00 H new ATOM 173 N ILE A 32 -6.522 7.159 3.703 1.00 0.00 N ATOM 174 CA ILE A 32 -7.652 6.500 4.347 1.00 0.00 C ATOM 175 C ILE A 32 -7.824 5.084 3.806 1.00 0.00 C ATOM 176 O ILE A 32 -8.056 4.147 4.562 1.00 0.00 O ATOM 177 CB ILE A 32 -8.935 7.305 4.116 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.832 8.641 4.859 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.138 6.523 4.656 1.00 0.00 C ATOM 180 CD1 ILE A 32 -9.971 9.560 4.414 1.00 0.00 C ATOM 0 H ILE A 32 -6.771 7.959 3.121 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.454 6.444 5.417 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.065 7.482 3.048 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.883 8.476 5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.870 9.111 4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.049 7.098 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.213 5.567 4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.008 6.348 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.899 10.511 4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.899 9.735 3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.928 9.090 4.642 1.00 0.00 H new ATOM 192 N ILE A 33 -7.713 4.936 2.493 1.00 0.00 N ATOM 193 CA ILE A 33 -7.867 3.631 1.862 1.00 0.00 C ATOM 194 C ILE A 33 -6.802 2.657 2.369 1.00 0.00 C ATOM 195 O ILE A 33 -7.098 1.499 2.655 1.00 0.00 O ATOM 196 CB ILE A 33 -7.772 3.779 0.338 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.005 4.523 -0.183 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.700 2.401 -0.319 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.751 4.978 -1.622 1.00 0.00 C ATOM 0 H ILE A 33 -7.518 5.700 1.846 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.846 3.229 2.122 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.871 4.342 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.879 3.873 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.219 5.384 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.633 2.517 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.820 1.870 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.596 1.832 -0.070 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.627 5.508 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.887 5.642 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.558 4.108 -2.250 1.00 0.00 H new ATOM 211 N GLY A 34 -5.567 3.131 2.477 1.00 0.00 N ATOM 212 CA GLY A 34 -4.479 2.284 2.949 1.00 0.00 C ATOM 213 C GLY A 34 -4.769 1.736 4.347 1.00 0.00 C ATOM 214 O GLY A 34 -4.488 0.572 4.634 1.00 0.00 O ATOM 0 H GLY A 34 -5.295 4.087 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.332 1.457 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.551 2.855 2.965 1.00 0.00 H new ATOM 218 N ILE A 35 -5.324 2.580 5.215 1.00 0.00 N ATOM 219 CA ILE A 35 -5.636 2.160 6.583 1.00 0.00 C ATOM 220 C ILE A 35 -6.696 1.054 6.580 1.00 0.00 C ATOM 221 O ILE A 35 -6.569 0.056 7.295 1.00 0.00 O ATOM 222 CB ILE A 35 -6.136 3.361 7.393 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.985 4.354 7.582 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.629 2.891 8.765 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.527 5.669 8.147 1.00 0.00 C ATOM 0 H ILE A 35 -5.565 3.548 5.001 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.729 1.767 7.042 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.957 3.841 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.239 3.936 8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.487 4.534 6.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.984 3.748 9.337 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.444 2.179 8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.810 2.410 9.301 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.706 6.373 8.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.257 6.089 7.455 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.005 5.482 9.109 1.00 0.00 H new ATOM 237 N LEU A 36 -7.735 1.232 5.767 1.00 0.00 N ATOM 238 CA LEU A 36 -8.805 0.241 5.673 1.00 0.00 C ATOM 239 C LEU A 36 -8.259 -1.084 5.145 1.00 0.00 C ATOM 240 O LEU A 36 -8.658 -2.153 5.609 1.00 0.00 O ATOM 241 CB LEU A 36 -9.933 0.756 4.754 1.00 0.00 C ATOM 242 CG LEU A 36 -10.982 1.545 5.569 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.829 0.584 6.447 1.00 0.00 C ATOM 244 CD2 LEU A 36 -10.286 2.592 6.466 1.00 0.00 C ATOM 0 H LEU A 36 -7.859 2.048 5.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.213 0.077 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.513 1.395 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.412 -0.084 4.252 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.643 2.056 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.562 1.159 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.345 -0.133 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.175 0.050 7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.037 3.141 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.607 2.088 7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.723 3.287 5.844 1.00 0.00 H new ATOM 256 N HIS A 37 -7.354 -1.010 4.175 1.00 0.00 N ATOM 257 CA HIS A 37 -6.776 -2.218 3.603 1.00 0.00 C ATOM 258 C HIS A 37 -6.087 -3.038 4.688 1.00 0.00 C ATOM 259 O HIS A 37 -6.217 -4.260 4.726 1.00 0.00 O ATOM 260 CB HIS A 37 -5.758 -1.864 2.517 1.00 0.00 C ATOM 261 CG HIS A 37 -5.248 -3.136 1.894 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.450 -3.444 0.561 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.565 -4.200 2.421 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.901 -4.650 0.336 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.345 -5.155 1.438 1.00 0.00 N ATOM 0 H HIS A 37 -7.009 -0.138 3.773 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.582 -2.803 3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.220 -1.232 1.759 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.932 -1.296 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.245 -4.283 3.449 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.909 -5.150 -0.621 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.863 -6.048 1.537 1.00 0.00 H new ATOM 273 N LEU A 38 -5.354 -2.358 5.563 1.00 0.00 N ATOM 274 CA LEU A 38 -4.643 -3.041 6.643 1.00 0.00 C ATOM 275 C LEU A 38 -5.608 -3.761 7.578 1.00 0.00 C ATOM 276 O LEU A 38 -5.322 -4.867 8.029 1.00 0.00 O ATOM 277 CB LEU A 38 -3.783 -2.032 7.441 1.00 0.00 C ATOM 278 CG LEU A 38 -2.360 -1.950 6.845 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.691 -0.635 7.252 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.507 -3.126 7.360 1.00 0.00 C ATOM 0 H LEU A 38 -5.236 -1.345 5.549 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.991 -3.789 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.251 -1.048 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.730 -2.336 8.486 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.437 -1.998 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.689 -0.589 6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.281 0.203 6.882 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.626 -0.581 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.505 -3.062 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.444 -3.081 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.968 -4.068 7.062 1.00 0.00 H new ATOM 292 N ILE A 39 -6.736 -3.135 7.880 1.00 0.00 N ATOM 293 CA ILE A 39 -7.705 -3.751 8.779 1.00 0.00 C ATOM 294 C ILE A 39 -8.235 -5.053 8.179 1.00 0.00 C ATOM 295 O ILE A 39 -8.363 -6.062 8.871 1.00 0.00 O ATOM 296 CB ILE A 39 -8.861 -2.782 9.036 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.336 -1.588 9.835 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.960 -3.487 9.835 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.398 -0.487 9.887 1.00 0.00 C ATOM 0 H ILE A 39 -7.002 -2.217 7.524 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.213 -3.980 9.724 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.274 -2.442 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.076 -1.902 10.846 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.425 -1.205 9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.781 -2.793 10.015 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.327 -4.344 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.556 -3.827 10.789 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.017 0.360 10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.637 -0.164 8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.298 -0.872 10.367 1.00 0.00 H new ATOM 311 N LEU A 40 -8.551 -5.020 6.894 1.00 0.00 N ATOM 312 CA LEU A 40 -9.067 -6.207 6.222 1.00 0.00 C ATOM 313 C LEU A 40 -7.954 -7.232 5.984 1.00 0.00 C ATOM 314 O LEU A 40 -8.145 -8.428 6.208 1.00 0.00 O ATOM 315 CB LEU A 40 -9.701 -5.799 4.891 1.00 0.00 C ATOM 316 CG LEU A 40 -10.894 -4.862 5.152 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.430 -4.347 3.815 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.014 -5.608 5.909 1.00 0.00 C ATOM 0 H LEU A 40 -8.462 -4.196 6.299 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.819 -6.672 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.963 -5.299 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.033 -6.684 4.348 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.561 -4.025 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.275 -3.683 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.644 -3.801 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.753 -5.190 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.849 -4.930 6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.354 -6.455 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.631 -5.967 6.864 1.00 0.00 H new ATOM 330 N TRP A 41 -6.797 -6.760 5.520 1.00 0.00 N ATOM 331 CA TRP A 41 -5.664 -7.645 5.245 1.00 0.00 C ATOM 332 C TRP A 41 -5.108 -8.269 6.526 1.00 0.00 C ATOM 333 O TRP A 41 -4.860 -9.473 6.579 1.00 0.00 O ATOM 334 CB TRP A 41 -4.561 -6.863 4.518 1.00 0.00 C ATOM 335 CG TRP A 41 -3.313 -7.686 4.429 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.044 -8.605 3.474 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.149 -7.654 5.302 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.796 -9.153 3.721 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.206 -8.594 4.834 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.829 -6.906 6.447 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.012 -8.782 5.481 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.599 -7.092 7.093 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.317 -8.027 6.611 1.00 0.00 C ATOM 0 H TRP A 41 -6.619 -5.774 5.327 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.018 -8.457 4.610 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.898 -6.591 3.518 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.355 -5.933 5.049 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.695 -8.868 2.654 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.367 -9.881 3.150 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.534 -6.184 6.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.717 -9.510 5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.359 -6.508 7.969 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.263 -8.166 7.114 1.00 0.00 H new ATOM 354 N ILE A 42 -4.903 -7.447 7.550 1.00 0.00 N ATOM 355 CA ILE A 42 -4.362 -7.944 8.810 1.00 0.00 C ATOM 356 C ILE A 42 -5.334 -8.939 9.440 1.00 0.00 C ATOM 357 O ILE A 42 -4.922 -9.916 10.066 1.00 0.00 O ATOM 358 CB ILE A 42 -4.104 -6.773 9.777 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.207 -7.244 10.929 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.435 -6.256 10.352 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.771 -6.034 11.759 1.00 0.00 C ATOM 0 H ILE A 42 -5.100 -6.446 7.534 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.417 -8.450 8.611 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.612 -5.968 9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.745 -7.955 11.556 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.333 -7.763 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.240 -5.428 11.034 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.074 -5.913 9.538 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.935 -7.060 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.133 -6.366 12.579 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.218 -5.339 11.127 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.651 -5.534 12.163 1.00 0.00 H new ATOM 373 N LEU A 43 -6.629 -8.677 9.270 1.00 0.00 N ATOM 374 CA LEU A 43 -7.652 -9.552 9.829 1.00 0.00 C ATOM 375 C LEU A 43 -7.538 -10.955 9.243 1.00 0.00 C ATOM 376 O LEU A 43 -7.626 -11.945 9.968 1.00 0.00 O ATOM 377 CB LEU A 43 -9.045 -8.973 9.539 1.00 0.00 C ATOM 378 CG LEU A 43 -10.153 -9.914 10.097 1.00 0.00 C ATOM 379 CD1 LEU A 43 -11.283 -9.086 10.724 1.00 0.00 C ATOM 380 CD2 LEU A 43 -10.743 -10.772 8.963 1.00 0.00 C ATOM 0 H LEU A 43 -6.990 -7.874 8.755 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.505 -9.616 10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.136 -7.986 9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.176 -8.845 8.464 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.704 -10.559 10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.052 -9.754 11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.883 -8.483 11.539 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.717 -8.432 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.517 -11.426 9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.177 -10.122 8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.954 -11.377 8.516 1.00 0.00 H new ATOM 633 N VAL B 28 0.290 11.469 -7.182 1.00 0.00 N ATOM 634 CA VAL B 28 -0.964 11.127 -7.846 1.00 0.00 C ATOM 635 C VAL B 28 -0.932 9.685 -8.340 1.00 0.00 C ATOM 636 O VAL B 28 -1.897 8.940 -8.176 1.00 0.00 O ATOM 637 CB VAL B 28 -1.206 12.073 -9.023 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.458 11.633 -9.788 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.406 13.497 -8.498 1.00 0.00 C ATOM 0 HA VAL B 28 -1.777 11.232 -7.127 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.345 12.046 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.628 12.309 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.318 10.619 -10.162 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.320 11.658 -9.121 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.579 14.173 -9.336 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.266 13.521 -7.829 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.515 13.813 -7.955 1.00 0.00 H new ATOM 649 N ALA B 29 0.185 9.299 -8.953 1.00 0.00 N ATOM 650 CA ALA B 29 0.327 7.945 -9.475 1.00 0.00 C ATOM 651 C ALA B 29 0.241 6.921 -8.351 1.00 0.00 C ATOM 652 O ALA B 29 -0.409 5.889 -8.490 1.00 0.00 O ATOM 653 CB ALA B 29 1.671 7.796 -10.191 1.00 0.00 C ATOM 0 H ALA B 29 0.997 9.899 -9.099 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.486 7.767 -10.179 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.767 6.781 -10.577 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.724 8.505 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.481 7.995 -9.489 1.00 0.00 H new ATOM 659 N ALA B 30 0.899 7.213 -7.236 1.00 0.00 N ATOM 660 CA ALA B 30 0.888 6.297 -6.105 1.00 0.00 C ATOM 661 C ALA B 30 -0.536 6.068 -5.616 1.00 0.00 C ATOM 662 O ALA B 30 -0.918 4.940 -5.302 1.00 0.00 O ATOM 663 CB ALA B 30 1.737 6.865 -4.967 1.00 0.00 C ATOM 0 H ALA B 30 1.440 8.066 -7.092 1.00 0.00 H new ATOM 0 HA ALA B 30 1.305 5.343 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.724 6.174 -4.124 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.763 7.000 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.330 7.827 -4.654 1.00 0.00 H new ATOM 669 N ASN B 31 -1.320 7.137 -5.556 1.00 0.00 N ATOM 670 CA ASN B 31 -2.700 7.025 -5.107 1.00 0.00 C ATOM 671 C ASN B 31 -3.507 6.160 -6.071 1.00 0.00 C ATOM 672 O ASN B 31 -4.284 5.301 -5.652 1.00 0.00 O ATOM 673 CB ASN B 31 -3.328 8.416 -5.019 1.00 0.00 C ATOM 674 CG ASN B 31 -2.709 9.195 -3.864 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.109 8.605 -2.966 1.00 0.00 O ATOM 676 ND2 ASN B 31 -2.818 10.495 -3.834 1.00 0.00 N ATOM 0 H ASN B 31 -1.028 8.081 -5.810 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.709 6.557 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.174 8.953 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.405 8.329 -4.874 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.406 11.024 -3.065 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.316 10.982 -4.579 1.00 0.00 H new ATOM 683 N ILE B 32 -3.312 6.389 -7.368 1.00 0.00 N ATOM 684 CA ILE B 32 -4.023 5.624 -8.385 1.00 0.00 C ATOM 685 C ILE B 32 -3.601 4.158 -8.345 1.00 0.00 C ATOM 686 O ILE B 32 -4.433 3.263 -8.432 1.00 0.00 O ATOM 687 CB ILE B 32 -3.746 6.209 -9.774 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.375 7.601 -9.872 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.363 5.302 -10.844 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.874 8.300 -11.136 1.00 0.00 C ATOM 0 H ILE B 32 -2.672 7.093 -7.736 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.092 5.685 -8.179 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.669 6.279 -9.930 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.462 7.520 -9.895 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.118 8.190 -8.992 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.166 5.718 -11.832 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.923 4.307 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.440 5.234 -10.687 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.322 9.291 -11.206 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.789 8.394 -11.094 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.153 7.713 -12.011 1.00 0.00 H new ATOM 702 N ILE B 33 -2.301 3.922 -8.215 1.00 0.00 N ATOM 703 CA ILE B 33 -1.782 2.558 -8.173 1.00 0.00 C ATOM 704 C ILE B 33 -2.349 1.800 -6.974 1.00 0.00 C ATOM 705 O ILE B 33 -2.734 0.638 -7.092 1.00 0.00 O ATOM 706 CB ILE B 33 -0.250 2.593 -8.105 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.312 3.102 -9.437 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.293 1.190 -7.833 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.786 3.467 -9.256 1.00 0.00 C ATOM 0 H ILE B 33 -1.591 4.650 -8.137 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.090 2.036 -9.079 1.00 0.00 H new ATOM 0 HB ILE B 33 0.054 3.260 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.207 2.337 -10.206 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.251 3.972 -9.774 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.381 1.224 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.100 0.826 -6.884 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.015 0.519 -8.635 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.190 3.830 -10.201 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.878 4.246 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.343 2.586 -8.938 1.00 0.00 H new ATOM 721 N GLY B 34 -2.400 2.460 -5.824 1.00 0.00 N ATOM 722 CA GLY B 34 -2.925 1.826 -4.619 1.00 0.00 C ATOM 723 C GLY B 34 -4.367 1.361 -4.822 1.00 0.00 C ATOM 724 O GLY B 34 -4.744 0.279 -4.369 1.00 0.00 O ATOM 0 H GLY B 34 -2.088 3.423 -5.699 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.300 0.974 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.880 2.528 -3.787 1.00 0.00 H new ATOM 728 N ILE B 35 -5.172 2.181 -5.495 1.00 0.00 N ATOM 729 CA ILE B 35 -6.572 1.834 -5.737 1.00 0.00 C ATOM 730 C ILE B 35 -6.677 0.585 -6.620 1.00 0.00 C ATOM 731 O ILE B 35 -7.468 -0.319 -6.342 1.00 0.00 O ATOM 732 CB ILE B 35 -7.290 3.010 -6.410 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.381 4.178 -5.422 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.705 2.587 -6.824 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.845 5.438 -6.156 1.00 0.00 C ATOM 0 H ILE B 35 -4.884 3.081 -5.879 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.046 1.620 -4.779 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.731 3.315 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.078 3.935 -4.620 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.410 4.352 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.211 3.426 -7.302 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.645 1.753 -7.524 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.266 2.280 -5.941 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.909 6.267 -5.451 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.132 5.684 -6.942 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.826 5.261 -6.598 1.00 0.00 H new ATOM 747 N LEU B 36 -5.868 0.541 -7.676 1.00 0.00 N ATOM 748 CA LEU B 36 -5.870 -0.605 -8.585 1.00 0.00 C ATOM 749 C LEU B 36 -5.444 -1.871 -7.849 1.00 0.00 C ATOM 750 O LEU B 36 -5.998 -2.946 -8.080 1.00 0.00 O ATOM 751 CB LEU B 36 -4.928 -0.339 -9.779 1.00 0.00 C ATOM 752 CG LEU B 36 -5.693 0.349 -10.933 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.658 -0.652 -11.623 1.00 0.00 C ATOM 754 CD2 LEU B 36 -6.492 1.557 -10.398 1.00 0.00 C ATOM 0 H LEU B 36 -5.208 1.278 -7.923 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.883 -0.748 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.097 0.290 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -4.500 -1.279 -10.128 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.965 0.697 -11.666 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -7.187 -0.148 -12.432 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.087 -1.488 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -7.379 -1.024 -10.895 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.026 2.033 -11.220 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.207 1.217 -9.649 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -5.807 2.275 -9.946 1.00 0.00 H new ATOM 766 N HIS B 37 -4.457 -1.743 -6.969 1.00 0.00 N ATOM 767 CA HIS B 37 -3.977 -2.897 -6.218 1.00 0.00 C ATOM 768 C HIS B 37 -5.113 -3.511 -5.413 1.00 0.00 C ATOM 769 O HIS B 37 -5.254 -4.733 -5.356 1.00 0.00 O ATOM 770 CB HIS B 37 -2.849 -2.486 -5.268 1.00 0.00 C ATOM 771 CG HIS B 37 -2.325 -3.714 -4.574 1.00 0.00 C ATOM 772 ND1 HIS B 37 -1.024 -4.159 -4.731 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.927 -4.617 -3.736 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.891 -5.283 -4.004 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.022 -5.605 -3.378 1.00 0.00 N ATOM 0 H HIS B 37 -3.980 -0.866 -6.760 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.598 -3.632 -6.928 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -2.049 -1.996 -5.823 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.216 -1.767 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.953 -4.566 -3.404 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.022 -5.855 -3.936 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.187 -6.405 -2.767 1.00 0.00 H new ATOM 783 N LEU B 38 -5.922 -2.661 -4.786 1.00 0.00 N ATOM 784 CA LEU B 38 -7.042 -3.137 -3.979 1.00 0.00 C ATOM 785 C LEU B 38 -8.048 -3.913 -4.823 1.00 0.00 C ATOM 786 O LEU B 38 -8.585 -4.922 -4.371 1.00 0.00 O ATOM 787 CB LEU B 38 -7.742 -1.949 -3.276 1.00 0.00 C ATOM 788 CG LEU B 38 -7.123 -1.707 -1.883 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.412 -0.278 -1.417 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.722 -2.697 -0.865 1.00 0.00 C ATOM 0 H LEU B 38 -5.824 -1.646 -4.820 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.643 -3.814 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.646 -1.050 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.808 -2.154 -3.177 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.045 -1.855 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.970 -0.120 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.982 0.430 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.490 -0.125 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.281 -2.521 0.116 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.801 -2.553 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.508 -3.718 -1.181 1.00 0.00 H new ATOM 802 N ILE B 39 -8.315 -3.441 -6.030 1.00 0.00 N ATOM 803 CA ILE B 39 -9.274 -4.118 -6.892 1.00 0.00 C ATOM 804 C ILE B 39 -8.791 -5.528 -7.223 1.00 0.00 C ATOM 805 O ILE B 39 -9.564 -6.485 -7.197 1.00 0.00 O ATOM 806 CB ILE B 39 -9.468 -3.314 -8.180 1.00 0.00 C ATOM 807 CG1 ILE B 39 -10.162 -1.992 -7.838 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.340 -4.105 -9.159 1.00 0.00 C ATOM 809 CD1 ILE B 39 -10.139 -1.061 -9.053 1.00 0.00 C ATOM 0 H ILE B 39 -7.890 -2.605 -6.432 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.227 -4.193 -6.368 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.499 -3.121 -8.640 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.191 -2.180 -7.533 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.661 -1.516 -6.995 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.475 -3.528 -10.074 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.855 -5.052 -9.395 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.312 -4.299 -8.706 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.634 -0.123 -8.802 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.106 -0.861 -9.339 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.660 -1.535 -9.885 1.00 0.00 H new ATOM 821 N LEU B 40 -7.513 -5.649 -7.544 1.00 0.00 N ATOM 822 CA LEU B 40 -6.946 -6.950 -7.876 1.00 0.00 C ATOM 823 C LEU B 40 -6.777 -7.815 -6.623 1.00 0.00 C ATOM 824 O LEU B 40 -7.101 -9.003 -6.633 1.00 0.00 O ATOM 825 CB LEU B 40 -5.595 -6.755 -8.569 1.00 0.00 C ATOM 826 CG LEU B 40 -5.797 -5.987 -9.885 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.428 -5.669 -10.496 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.629 -6.825 -10.880 1.00 0.00 C ATOM 0 H LEU B 40 -6.853 -4.872 -7.582 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.631 -7.466 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.916 -6.206 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.134 -7.722 -8.768 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.335 -5.062 -9.678 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.564 -5.124 -11.430 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.852 -5.059 -9.800 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.893 -6.598 -10.693 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.762 -6.265 -11.806 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.109 -7.759 -11.092 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.604 -7.043 -10.445 1.00 0.00 H new ATOM 840 N TRP B 41 -6.261 -7.215 -5.549 1.00 0.00 N ATOM 841 CA TRP B 41 -6.042 -7.942 -4.296 1.00 0.00 C ATOM 842 C TRP B 41 -7.362 -8.367 -3.652 1.00 0.00 C ATOM 843 O TRP B 41 -7.510 -9.512 -3.228 1.00 0.00 O ATOM 844 CB TRP B 41 -5.238 -7.068 -3.325 1.00 0.00 C ATOM 845 CG TRP B 41 -5.198 -7.699 -1.964 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.314 -8.639 -1.560 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.047 -7.420 -0.817 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.585 -8.972 -0.245 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.641 -8.241 0.257 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.123 -6.543 -0.611 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.281 -8.191 1.491 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.763 -6.487 0.635 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.343 -7.309 1.681 1.00 0.00 C ATOM 0 H TRP B 41 -5.988 -6.233 -5.521 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.480 -8.848 -4.525 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.224 -6.934 -3.701 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.687 -6.077 -3.260 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.525 -9.061 -2.165 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.068 -9.672 0.287 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.460 -5.908 -1.417 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.957 -8.832 2.297 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.586 -5.804 0.786 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.841 -7.262 2.638 1.00 0.00 H new ATOM 864 N ILE B 42 -8.310 -7.442 -3.570 1.00 0.00 N ATOM 865 CA ILE B 42 -9.600 -7.747 -2.958 1.00 0.00 C ATOM 866 C ILE B 42 -10.323 -8.820 -3.771 1.00 0.00 C ATOM 867 O ILE B 42 -11.018 -9.670 -3.216 1.00 0.00 O ATOM 868 CB ILE B 42 -10.464 -6.475 -2.877 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.639 -6.708 -1.916 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.014 -6.115 -4.269 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.359 -5.384 -1.665 1.00 0.00 C ATOM 0 H ILE B 42 -8.214 -6.487 -3.914 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.431 -8.121 -1.948 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.845 -5.655 -2.512 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.331 -7.436 -2.339 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.277 -7.122 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.623 -5.214 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.184 -5.939 -4.954 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.625 -6.937 -4.643 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.193 -5.547 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.664 -4.670 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.734 -4.989 -2.609 1.00 0.00 H new ATOM 883 N LEU B 43 -10.152 -8.768 -5.089 1.00 0.00 N ATOM 884 CA LEU B 43 -10.795 -9.738 -5.969 1.00 0.00 C ATOM 885 C LEU B 43 -10.323 -11.151 -5.647 1.00 0.00 C ATOM 886 O LEU B 43 -11.128 -12.080 -5.585 1.00 0.00 O ATOM 887 CB LEU B 43 -10.480 -9.400 -7.432 1.00 0.00 C ATOM 888 CG LEU B 43 -11.128 -10.444 -8.387 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.700 -9.744 -9.626 1.00 0.00 C ATOM 890 CD2 LEU B 43 -10.076 -11.471 -8.845 1.00 0.00 C ATOM 0 H LEU B 43 -9.580 -8.072 -5.567 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.873 -9.691 -5.812 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.851 -8.403 -7.669 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.401 -9.382 -7.583 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.927 -10.950 -7.846 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.151 -10.485 -10.287 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.457 -9.023 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.899 -9.227 -10.154 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.542 -12.196 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -9.271 -10.958 -9.371 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.669 -11.988 -7.976 1.00 0.00 H new ATOM 1143 N VAL C 28 8.074 10.742 -1.458 1.00 0.00 N ATOM 1144 CA VAL C 28 8.685 10.147 -2.639 1.00 0.00 C ATOM 1145 C VAL C 28 9.052 8.689 -2.377 1.00 0.00 C ATOM 1146 O VAL C 28 8.810 7.817 -3.211 1.00 0.00 O ATOM 1147 CB VAL C 28 9.939 10.932 -3.029 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.645 10.231 -4.193 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.538 12.346 -3.456 1.00 0.00 C ATOM 0 HA VAL C 28 7.965 10.185 -3.457 1.00 0.00 H new ATOM 0 HB VAL C 28 10.615 10.983 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.538 10.793 -4.468 1.00 0.00 H new ATOM 0 HG12 VAL C 28 10.929 9.223 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL C 28 9.971 10.178 -5.048 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.429 12.908 -3.735 1.00 0.00 H new ATOM 0 HG22 VAL C 28 8.862 12.290 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.037 12.848 -2.628 1.00 0.00 H new ATOM 1159 N ALA C 29 9.644 8.433 -1.213 1.00 0.00 N ATOM 1160 CA ALA C 29 10.046 7.077 -0.857 1.00 0.00 C ATOM 1161 C ALA C 29 8.834 6.159 -0.774 1.00 0.00 C ATOM 1162 O ALA C 29 8.873 5.026 -1.249 1.00 0.00 O ATOM 1163 CB ALA C 29 10.765 7.082 0.494 1.00 0.00 C ATOM 0 H ALA C 29 9.854 9.139 -0.508 1.00 0.00 H new ATOM 0 HA ALA C 29 10.718 6.708 -1.632 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.062 6.065 0.752 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.651 7.714 0.432 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.095 7.470 1.261 1.00 0.00 H new ATOM 1169 N ALA C 30 7.758 6.650 -0.174 1.00 0.00 N ATOM 1170 CA ALA C 30 6.549 5.850 -0.040 1.00 0.00 C ATOM 1171 C ALA C 30 6.026 5.438 -1.410 1.00 0.00 C ATOM 1172 O ALA C 30 5.610 4.295 -1.607 1.00 0.00 O ATOM 1173 CB ALA C 30 5.474 6.648 0.701 1.00 0.00 C ATOM 0 H ALA C 30 7.697 7.587 0.223 1.00 0.00 H new ATOM 0 HA ALA C 30 6.791 4.952 0.529 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.573 6.042 0.797 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.839 6.916 1.693 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.244 7.555 0.142 1.00 0.00 H new ATOM 1179 N ASN C 31 6.051 6.370 -2.355 1.00 0.00 N ATOM 1180 CA ASN C 31 5.576 6.079 -3.701 1.00 0.00 C ATOM 1181 C ASN C 31 6.451 5.015 -4.359 1.00 0.00 C ATOM 1182 O ASN C 31 5.946 4.085 -4.991 1.00 0.00 O ATOM 1183 CB ASN C 31 5.601 7.355 -4.543 1.00 0.00 C ATOM 1184 CG ASN C 31 4.531 8.326 -4.055 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.602 7.925 -3.355 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.609 9.586 -4.382 1.00 0.00 N ATOM 0 H ASN C 31 6.391 7.322 -2.217 1.00 0.00 H new ATOM 0 HA ASN C 31 4.555 5.703 -3.637 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.584 7.823 -4.480 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.431 7.111 -5.592 1.00 0.00 H new ATOM 0 HD21 ASN C 31 3.899 10.242 -4.057 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.380 9.915 -4.962 1.00 0.00 H new ATOM 1193 N ILE C 32 7.764 5.154 -4.199 1.00 0.00 N ATOM 1194 CA ILE C 32 8.701 4.198 -4.778 1.00 0.00 C ATOM 1195 C ILE C 32 8.539 2.827 -4.127 1.00 0.00 C ATOM 1196 O ILE C 32 8.535 1.807 -4.807 1.00 0.00 O ATOM 1197 CB ILE C 32 10.140 4.693 -4.597 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.349 5.954 -5.441 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.118 3.608 -5.063 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.677 6.609 -5.056 1.00 0.00 C ATOM 0 H ILE C 32 8.200 5.914 -3.677 1.00 0.00 H new ATOM 0 HA ILE C 32 8.486 4.107 -5.843 1.00 0.00 H new ATOM 0 HB ILE C 32 10.318 4.917 -3.545 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.350 5.699 -6.501 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.527 6.652 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.141 3.961 -4.934 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.968 2.705 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.941 3.386 -6.115 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.827 7.507 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.658 6.877 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.494 5.910 -5.238 1.00 0.00 H new ATOM 1212 N ILE C 33 8.404 2.814 -2.808 1.00 0.00 N ATOM 1213 CA ILE C 33 8.250 1.560 -2.078 1.00 0.00 C ATOM 1214 C ILE C 33 6.982 0.831 -2.519 1.00 0.00 C ATOM 1215 O ILE C 33 6.991 -0.383 -2.712 1.00 0.00 O ATOM 1216 CB ILE C 33 8.204 1.845 -0.570 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.583 2.314 -0.096 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.814 0.576 0.191 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.455 2.926 1.301 1.00 0.00 C ATOM 0 H ILE C 33 8.398 3.650 -2.224 1.00 0.00 H new ATOM 0 HA ILE C 33 9.103 0.918 -2.296 1.00 0.00 H new ATOM 0 HB ILE C 33 7.464 2.622 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.278 1.475 -0.076 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.989 3.048 -0.792 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.784 0.787 1.260 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.831 0.241 -0.140 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.549 -0.205 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.434 3.261 1.642 1.00 0.00 H new ATOM 0 HD12 ILE C 33 8.773 3.775 1.265 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.066 2.178 1.992 1.00 0.00 H new ATOM 1231 N GLY C 34 5.894 1.573 -2.676 1.00 0.00 N ATOM 1232 CA GLY C 34 4.631 0.974 -3.093 1.00 0.00 C ATOM 1233 C GLY C 34 4.771 0.267 -4.443 1.00 0.00 C ATOM 1234 O GLY C 34 4.221 -0.814 -4.644 1.00 0.00 O ATOM 0 H GLY C 34 5.859 2.581 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.298 0.261 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.865 1.746 -3.162 1.00 0.00 H new ATOM 1238 N ILE C 35 5.505 0.887 -5.367 1.00 0.00 N ATOM 1239 CA ILE C 35 5.698 0.301 -6.693 1.00 0.00 C ATOM 1240 C ILE C 35 6.465 -1.022 -6.596 1.00 0.00 C ATOM 1241 O ILE C 35 6.098 -2.013 -7.232 1.00 0.00 O ATOM 1242 CB ILE C 35 6.460 1.282 -7.591 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.575 2.502 -7.868 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.817 0.604 -8.917 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.407 3.604 -8.527 1.00 0.00 C ATOM 0 H ILE C 35 5.970 1.783 -5.225 1.00 0.00 H new ATOM 0 HA ILE C 35 4.719 0.100 -7.128 1.00 0.00 H new ATOM 0 HB ILE C 35 7.376 1.594 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.746 2.222 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE C 35 5.142 2.868 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.358 1.306 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.443 -0.267 -8.723 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.904 0.289 -9.422 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.774 4.470 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE C 35 7.221 3.892 -7.862 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.819 3.236 -9.467 1.00 0.00 H new ATOM 1257 N LEU C 36 7.523 -1.031 -5.789 1.00 0.00 N ATOM 1258 CA LEU C 36 8.328 -2.240 -5.606 1.00 0.00 C ATOM 1259 C LEU C 36 7.489 -3.352 -4.983 1.00 0.00 C ATOM 1260 O LEU C 36 7.617 -4.516 -5.358 1.00 0.00 O ATOM 1261 CB LEU C 36 9.554 -1.934 -4.718 1.00 0.00 C ATOM 1262 CG LEU C 36 10.753 -1.483 -5.580 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.339 -2.681 -6.372 1.00 0.00 C ATOM 1264 CD2 LEU C 36 10.316 -0.374 -6.562 1.00 0.00 C ATOM 0 H LEU C 36 7.843 -0.223 -5.255 1.00 0.00 H new ATOM 0 HA LEU C 36 8.676 -2.576 -6.583 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.303 -1.154 -3.999 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.825 -2.821 -4.145 1.00 0.00 H new ATOM 0 HG LEU C 36 11.523 -1.092 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.183 -2.342 -6.973 1.00 0.00 H new ATOM 0 HD12 LEU C 36 11.675 -3.449 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU C 36 10.571 -3.096 -7.025 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.170 -0.064 -7.164 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.531 -0.755 -7.215 1.00 0.00 H new ATOM 0 HD23 LEU C 36 9.939 0.481 -6.001 1.00 0.00 H new ATOM 1276 N HIS C 37 6.635 -2.989 -4.032 1.00 0.00 N ATOM 1277 CA HIS C 37 5.792 -3.978 -3.373 1.00 0.00 C ATOM 1278 C HIS C 37 4.920 -4.693 -4.400 1.00 0.00 C ATOM 1279 O HIS C 37 4.756 -5.911 -4.342 1.00 0.00 O ATOM 1280 CB HIS C 37 4.894 -3.311 -2.330 1.00 0.00 C ATOM 1281 CG HIS C 37 4.104 -4.376 -1.617 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.240 -4.623 -0.263 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.182 -5.283 -2.068 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.423 -5.646 0.046 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.753 -6.084 -1.019 1.00 0.00 N ATOM 0 H HIS C 37 6.509 -2.031 -3.704 1.00 0.00 H new ATOM 0 HA HIS C 37 6.441 -4.700 -2.877 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.497 -2.748 -1.618 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.221 -2.600 -2.810 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.839 -5.363 -3.089 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.322 -6.062 1.038 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.073 -6.843 -1.055 1.00 0.00 H new ATOM 1293 N LEU C 38 4.360 -3.930 -5.333 1.00 0.00 N ATOM 1294 CA LEU C 38 3.500 -4.507 -6.364 1.00 0.00 C ATOM 1295 C LEU C 38 4.261 -5.505 -7.231 1.00 0.00 C ATOM 1296 O LEU C 38 3.717 -6.542 -7.600 1.00 0.00 O ATOM 1297 CB LEU C 38 2.896 -3.387 -7.247 1.00 0.00 C ATOM 1298 CG LEU C 38 1.538 -2.924 -6.673 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.198 -1.524 -7.186 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.426 -3.899 -7.101 1.00 0.00 C ATOM 0 H LEU C 38 4.483 -2.920 -5.398 1.00 0.00 H new ATOM 0 HA LEU C 38 2.694 -5.043 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.584 -2.543 -7.297 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.763 -3.750 -8.266 1.00 0.00 H new ATOM 0 HG LEU C 38 1.611 -2.905 -5.586 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.239 -1.209 -6.775 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.974 -0.824 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.138 -1.540 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.528 -3.565 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.365 -3.926 -8.189 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.653 -4.897 -6.725 1.00 0.00 H new ATOM 1312 N ILE C 39 5.502 -5.190 -7.569 1.00 0.00 N ATOM 1313 CA ILE C 39 6.289 -6.084 -8.407 1.00 0.00 C ATOM 1314 C ILE C 39 6.502 -7.424 -7.703 1.00 0.00 C ATOM 1315 O ILE C 39 6.382 -8.485 -8.313 1.00 0.00 O ATOM 1316 CB ILE C 39 7.641 -5.439 -8.725 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.408 -4.219 -9.622 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.536 -6.443 -9.457 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.700 -3.409 -9.746 1.00 0.00 C ATOM 0 H ILE C 39 5.981 -4.336 -7.282 1.00 0.00 H new ATOM 0 HA ILE C 39 5.748 -6.262 -9.337 1.00 0.00 H new ATOM 0 HB ILE C 39 8.129 -5.135 -7.799 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.074 -4.541 -10.609 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.617 -3.596 -9.205 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.496 -5.979 -9.681 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.694 -7.317 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.056 -6.749 -10.386 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.527 -2.543 -10.385 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.015 -3.073 -8.758 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.480 -4.033 -10.183 1.00 0.00 H new ATOM 1331 N LEU C 40 6.828 -7.367 -6.422 1.00 0.00 N ATOM 1332 CA LEU C 40 7.053 -8.586 -5.654 1.00 0.00 C ATOM 1333 C LEU C 40 5.732 -9.300 -5.351 1.00 0.00 C ATOM 1334 O LEU C 40 5.634 -10.519 -5.478 1.00 0.00 O ATOM 1335 CB LEU C 40 7.777 -8.240 -4.352 1.00 0.00 C ATOM 1336 CG LEU C 40 9.154 -7.634 -4.673 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.807 -7.157 -3.372 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.059 -8.681 -5.358 1.00 0.00 C ATOM 0 H LEU C 40 6.942 -6.501 -5.895 1.00 0.00 H new ATOM 0 HA LEU C 40 7.669 -9.262 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.184 -7.534 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.896 -9.135 -3.741 1.00 0.00 H new ATOM 0 HG LEU C 40 9.024 -6.792 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.784 -6.726 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.175 -6.403 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.927 -8.002 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.029 -8.235 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.194 -9.535 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.593 -9.013 -6.286 1.00 0.00 H new ATOM 1350 N TRP C 41 4.723 -8.530 -4.939 1.00 0.00 N ATOM 1351 CA TRP C 41 3.415 -9.099 -4.608 1.00 0.00 C ATOM 1352 C TRP C 41 2.717 -9.670 -5.844 1.00 0.00 C ATOM 1353 O TRP C 41 2.190 -10.781 -5.805 1.00 0.00 O ATOM 1354 CB TRP C 41 2.533 -8.025 -3.953 1.00 0.00 C ATOM 1355 CG TRP C 41 1.128 -8.522 -3.815 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.656 -9.273 -2.795 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.001 -8.283 -4.700 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.686 -9.532 -3.014 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.137 -8.934 -4.172 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.145 -7.569 -5.901 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.368 -8.879 -4.815 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.390 -7.508 -6.544 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.497 -8.162 -6.003 1.00 0.00 C ATOM 0 H TRP C 41 4.785 -7.518 -4.827 1.00 0.00 H new ATOM 0 HA TRP C 41 3.573 -9.921 -3.909 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.932 -7.765 -2.973 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.547 -7.116 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.232 -9.615 -1.948 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.269 -10.095 -2.395 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.707 -7.064 -6.332 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.222 -9.390 -4.395 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.492 -6.951 -7.464 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.452 -8.113 -6.504 1.00 0.00 H new ATOM 1374 N ILE C 42 2.702 -8.905 -6.928 1.00 0.00 N ATOM 1375 CA ILE C 42 2.050 -9.356 -8.150 1.00 0.00 C ATOM 1376 C ILE C 42 2.753 -10.600 -8.691 1.00 0.00 C ATOM 1377 O ILE C 42 2.117 -11.498 -9.244 1.00 0.00 O ATOM 1378 CB ILE C 42 2.070 -8.237 -9.208 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.076 -8.569 -10.330 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.479 -8.095 -9.807 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.933 -7.359 -11.255 1.00 0.00 C ATOM 0 H ILE C 42 3.128 -7.980 -6.986 1.00 0.00 H new ATOM 0 HA ILE C 42 1.014 -9.606 -7.922 1.00 0.00 H new ATOM 0 HB ILE C 42 1.788 -7.299 -8.730 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.424 -9.434 -10.895 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.107 -8.834 -9.906 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.479 -7.301 -10.553 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.188 -7.849 -9.016 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.771 -9.034 -10.277 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.228 -7.592 -12.053 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.566 -6.506 -10.684 1.00 0.00 H new ATOM 0 HD13 ILE C 42 1.903 -7.116 -11.688 1.00 0.00 H new ATOM 1393 N LEU C 43 4.074 -10.639 -8.531 1.00 0.00 N ATOM 1394 CA LEU C 43 4.858 -11.773 -9.009 1.00 0.00 C ATOM 1395 C LEU C 43 4.419 -13.057 -8.317 1.00 0.00 C ATOM 1396 O LEU C 43 4.266 -14.093 -8.962 1.00 0.00 O ATOM 1397 CB LEU C 43 6.350 -11.519 -8.750 1.00 0.00 C ATOM 1398 CG LEU C 43 7.201 -12.734 -9.221 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.489 -12.249 -9.897 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.579 -13.616 -8.018 1.00 0.00 C ATOM 0 H LEU C 43 4.619 -9.905 -8.078 1.00 0.00 H new ATOM 0 HA LEU C 43 4.693 -11.885 -10.081 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.668 -10.619 -9.276 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.515 -11.342 -7.687 1.00 0.00 H new ATOM 0 HG LEU C 43 6.607 -13.311 -9.930 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.075 -13.109 -10.222 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.237 -11.634 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.071 -11.659 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU C 43 8.174 -14.463 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.159 -13.030 -7.305 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.672 -13.981 -7.536 1.00 0.00 H new ATOM 1653 N VAL D 28 2.236 11.738 6.338 1.00 0.00 N ATOM 1654 CA VAL D 28 3.382 11.160 7.032 1.00 0.00 C ATOM 1655 C VAL D 28 3.016 9.804 7.630 1.00 0.00 C ATOM 1656 O VAL D 28 3.779 8.843 7.526 1.00 0.00 O ATOM 1657 CB VAL D 28 3.851 12.104 8.141 1.00 0.00 C ATOM 1658 CG1 VAL D 28 4.972 11.439 8.944 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.374 13.399 7.515 1.00 0.00 C ATOM 0 HA VAL D 28 4.189 11.020 6.313 1.00 0.00 H new ATOM 0 HB VAL D 28 3.015 12.327 8.804 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.304 12.114 9.733 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.602 10.515 9.388 1.00 0.00 H new ATOM 0 HG13 VAL D 28 5.809 11.214 8.283 1.00 0.00 H new ATOM 0 HG21 VAL D 28 4.709 14.074 8.302 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.209 13.171 6.852 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.577 13.875 6.944 1.00 0.00 H new ATOM 1669 N ALA D 29 1.848 9.737 8.263 1.00 0.00 N ATOM 1670 CA ALA D 29 1.398 8.494 8.881 1.00 0.00 C ATOM 1671 C ALA D 29 1.227 7.401 7.833 1.00 0.00 C ATOM 1672 O ALA D 29 1.616 6.258 8.050 1.00 0.00 O ATOM 1673 CB ALA D 29 0.065 8.718 9.598 1.00 0.00 C ATOM 0 H ALA D 29 1.202 10.520 8.361 1.00 0.00 H new ATOM 0 HA ALA D 29 2.154 8.179 9.601 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.263 7.785 10.056 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.190 9.477 10.370 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.683 9.052 8.879 1.00 0.00 H new ATOM 1679 N ALA D 30 0.644 7.760 6.696 1.00 0.00 N ATOM 1680 CA ALA D 30 0.427 6.789 5.632 1.00 0.00 C ATOM 1681 C ALA D 30 1.753 6.194 5.173 1.00 0.00 C ATOM 1682 O ALA D 30 1.856 4.988 4.945 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.273 7.459 4.449 1.00 0.00 C ATOM 0 H ALA D 30 0.317 8.704 6.489 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.203 5.988 6.018 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.432 6.726 3.658 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -1.235 7.857 4.773 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.348 8.272 4.072 1.00 0.00 H new ATOM 1689 N ASN D 31 2.766 7.043 5.043 1.00 0.00 N ATOM 1690 CA ASN D 31 4.076 6.576 4.612 1.00 0.00 C ATOM 1691 C ASN D 31 4.669 5.619 5.643 1.00 0.00 C ATOM 1692 O ASN D 31 5.221 4.576 5.291 1.00 0.00 O ATOM 1693 CB ASN D 31 5.014 7.771 4.426 1.00 0.00 C ATOM 1694 CG ASN D 31 4.586 8.586 3.209 1.00 0.00 C ATOM 1695 OD1 ASN D 31 3.854 8.087 2.354 1.00 0.00 O ATOM 1696 ND2 ASN D 31 4.999 9.816 3.081 1.00 0.00 N ATOM 0 H ASN D 31 2.707 8.044 5.227 1.00 0.00 H new ATOM 0 HA ASN D 31 3.963 6.047 3.665 1.00 0.00 H new ATOM 0 HB2 ASN D 31 4.999 8.398 5.317 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.039 7.423 4.299 1.00 0.00 H new ATOM 0 HD21 ASN D 31 4.716 10.367 2.271 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.605 10.227 3.791 1.00 0.00 H new ATOM 1703 N ILE D 32 4.545 5.980 6.918 1.00 0.00 N ATOM 1704 CA ILE D 32 5.067 5.145 7.993 1.00 0.00 C ATOM 1705 C ILE D 32 4.313 3.820 8.058 1.00 0.00 C ATOM 1706 O ILE D 32 4.914 2.764 8.215 1.00 0.00 O ATOM 1707 CB ILE D 32 4.951 5.877 9.334 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.890 7.086 9.333 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.351 4.929 10.471 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.581 7.974 10.539 1.00 0.00 C ATOM 0 H ILE D 32 4.091 6.839 7.229 1.00 0.00 H new ATOM 0 HA ILE D 32 6.118 4.939 7.789 1.00 0.00 H new ATOM 0 HB ILE D 32 3.923 6.208 9.479 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.928 6.754 9.369 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.769 7.653 8.410 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.268 5.450 11.425 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.689 4.063 10.472 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.380 4.600 10.325 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.250 8.835 10.538 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.548 8.317 10.483 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.725 7.404 11.457 1.00 0.00 H new ATOM 1722 N ILE D 33 2.995 3.886 7.937 1.00 0.00 N ATOM 1723 CA ILE D 33 2.168 2.683 7.990 1.00 0.00 C ATOM 1724 C ILE D 33 2.530 1.729 6.852 1.00 0.00 C ATOM 1725 O ILE D 33 2.634 0.521 7.058 1.00 0.00 O ATOM 1726 CB ILE D 33 0.687 3.073 7.909 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.274 3.792 9.198 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.173 1.820 7.733 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -1.074 4.481 8.980 1.00 0.00 C ATOM 0 H ILE D 33 2.475 4.753 7.802 1.00 0.00 H new ATOM 0 HA ILE D 33 2.352 2.169 8.934 1.00 0.00 H new ATOM 0 HB ILE D 33 0.540 3.735 7.056 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.203 3.079 10.019 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.030 4.526 9.477 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.224 2.105 7.676 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.114 1.308 6.815 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.023 1.154 8.582 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.372 4.994 9.894 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.986 5.205 8.170 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.826 3.736 8.720 1.00 0.00 H new ATOM 1741 N GLY D 34 2.723 2.273 5.657 1.00 0.00 N ATOM 1742 CA GLY D 34 3.070 1.449 4.507 1.00 0.00 C ATOM 1743 C GLY D 34 4.364 0.673 4.751 1.00 0.00 C ATOM 1744 O GLY D 34 4.474 -0.497 4.383 1.00 0.00 O ATOM 0 H GLY D 34 2.646 3.271 5.460 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.259 0.751 4.299 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.182 2.080 3.625 1.00 0.00 H new ATOM 1748 N ILE D 35 5.347 1.329 5.368 1.00 0.00 N ATOM 1749 CA ILE D 35 6.630 0.680 5.644 1.00 0.00 C ATOM 1750 C ILE D 35 6.448 -0.491 6.616 1.00 0.00 C ATOM 1751 O ILE D 35 7.002 -1.572 6.411 1.00 0.00 O ATOM 1752 CB ILE D 35 7.610 1.701 6.234 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.963 2.740 5.163 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.890 0.989 6.687 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.717 3.906 5.805 1.00 0.00 C ATOM 0 H ILE D 35 5.282 2.297 5.683 1.00 0.00 H new ATOM 0 HA ILE D 35 7.031 0.291 4.708 1.00 0.00 H new ATOM 0 HB ILE D 35 7.147 2.193 7.090 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.575 2.282 4.386 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.055 3.103 4.681 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.583 1.718 7.106 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.644 0.246 7.445 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.354 0.496 5.833 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.966 4.643 5.041 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.089 4.370 6.566 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.633 3.537 6.266 1.00 0.00 H new ATOM 1767 N LEU D 36 5.663 -0.267 7.668 1.00 0.00 N ATOM 1768 CA LEU D 36 5.404 -1.312 8.658 1.00 0.00 C ATOM 1769 C LEU D 36 4.686 -2.494 8.013 1.00 0.00 C ATOM 1770 O LEU D 36 4.974 -3.649 8.326 1.00 0.00 O ATOM 1771 CB LEU D 36 4.565 -0.749 9.823 1.00 0.00 C ATOM 1772 CG LEU D 36 5.481 -0.177 10.929 1.00 0.00 C ATOM 1773 CD1 LEU D 36 6.192 -1.324 11.697 1.00 0.00 C ATOM 1774 CD2 LEU D 36 6.535 0.769 10.313 1.00 0.00 C ATOM 0 H LEU D 36 5.198 0.621 7.857 1.00 0.00 H new ATOM 0 HA LEU D 36 6.359 -1.660 9.051 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.900 0.032 9.455 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.934 -1.536 10.237 1.00 0.00 H new ATOM 0 HG LEU D 36 4.862 0.384 11.629 1.00 0.00 H new ATOM 0 HD11 LEU D 36 6.832 -0.901 12.471 1.00 0.00 H new ATOM 0 HD12 LEU D 36 5.445 -1.971 12.157 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.798 -1.906 11.003 1.00 0.00 H new ATOM 0 HD21 LEU D 36 7.174 1.165 11.102 1.00 0.00 H new ATOM 0 HD22 LEU D 36 7.144 0.218 9.596 1.00 0.00 H new ATOM 0 HD23 LEU D 36 6.032 1.592 9.805 1.00 0.00 H new ATOM 1786 N HIS D 37 3.748 -2.202 7.118 1.00 0.00 N ATOM 1787 CA HIS D 37 3.002 -3.261 6.449 1.00 0.00 C ATOM 1788 C HIS D 37 3.955 -4.181 5.699 1.00 0.00 C ATOM 1789 O HIS D 37 3.805 -5.402 5.733 1.00 0.00 O ATOM 1790 CB HIS D 37 1.993 -2.666 5.464 1.00 0.00 C ATOM 1791 CG HIS D 37 1.188 -3.783 4.858 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.179 -3.896 5.036 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.553 -4.861 4.094 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.580 -5.009 4.394 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.437 -5.633 3.802 1.00 0.00 N ATOM 0 H HIS D 37 3.489 -1.255 6.842 1.00 0.00 H new ATOM 0 HA HIS D 37 2.467 -3.833 7.207 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.336 -1.963 5.976 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.511 -2.108 4.684 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.559 -5.078 3.768 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.603 -5.354 4.363 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.403 -6.492 3.253 1.00 0.00 H new ATOM 1803 N LEU D 38 4.932 -3.591 5.016 1.00 0.00 N ATOM 1804 CA LEU D 38 5.902 -4.377 4.254 1.00 0.00 C ATOM 1805 C LEU D 38 6.705 -5.303 5.161 1.00 0.00 C ATOM 1806 O LEU D 38 6.985 -6.440 4.788 1.00 0.00 O ATOM 1807 CB LEU D 38 6.854 -3.438 3.474 1.00 0.00 C ATOM 1808 CG LEU D 38 6.295 -3.158 2.061 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.907 -1.873 1.496 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.636 -4.331 1.121 1.00 0.00 C ATOM 0 H LEU D 38 5.074 -2.582 4.973 1.00 0.00 H new ATOM 0 HA LEU D 38 5.350 -4.997 3.547 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.975 -2.500 4.016 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.842 -3.893 3.398 1.00 0.00 H new ATOM 0 HG LEU D 38 5.213 -3.045 2.132 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.506 -1.686 0.500 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.662 -1.035 2.149 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.990 -1.981 1.436 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.239 -4.127 0.126 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.718 -4.448 1.063 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.192 -5.248 1.508 1.00 0.00 H new ATOM 1822 N ILE D 39 7.088 -4.821 6.331 1.00 0.00 N ATOM 1823 CA ILE D 39 7.872 -5.639 7.247 1.00 0.00 C ATOM 1824 C ILE D 39 7.074 -6.869 7.678 1.00 0.00 C ATOM 1825 O ILE D 39 7.602 -7.980 7.725 1.00 0.00 O ATOM 1826 CB ILE D 39 8.263 -4.812 8.474 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.243 -3.718 8.042 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.934 -5.713 9.514 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.451 -2.723 9.185 1.00 0.00 C ATOM 0 H ILE D 39 6.874 -3.882 6.668 1.00 0.00 H new ATOM 0 HA ILE D 39 8.775 -5.972 6.736 1.00 0.00 H new ATOM 0 HB ILE D 39 7.372 -4.363 8.912 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.197 -4.163 7.758 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.859 -3.200 7.163 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.210 -5.119 10.385 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.242 -6.499 9.815 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.828 -6.163 9.083 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.149 -1.948 8.870 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.497 -2.267 9.448 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.855 -3.245 10.053 1.00 0.00 H new ATOM 1841 N LEU D 40 5.806 -6.664 7.997 1.00 0.00 N ATOM 1842 CA LEU D 40 4.954 -7.767 8.420 1.00 0.00 C ATOM 1843 C LEU D 40 4.573 -8.657 7.233 1.00 0.00 C ATOM 1844 O LEU D 40 4.609 -9.883 7.330 1.00 0.00 O ATOM 1845 CB LEU D 40 3.695 -7.209 9.086 1.00 0.00 C ATOM 1846 CG LEU D 40 4.085 -6.417 10.346 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.836 -5.745 10.923 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.707 -7.355 11.405 1.00 0.00 C ATOM 0 H LEU D 40 5.346 -5.754 7.972 1.00 0.00 H new ATOM 0 HA LEU D 40 5.505 -8.380 9.133 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.159 -6.564 8.390 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.020 -8.023 9.350 1.00 0.00 H new ATOM 0 HG LEU D 40 4.823 -5.661 10.077 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.106 -5.182 11.816 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.412 -5.068 10.182 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.100 -6.506 11.182 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.977 -6.777 12.289 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.984 -8.123 11.680 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.599 -7.827 10.994 1.00 0.00 H new ATOM 1860 N TRP D 41 4.201 -8.032 6.117 1.00 0.00 N ATOM 1861 CA TRP D 41 3.803 -8.774 4.917 1.00 0.00 C ATOM 1862 C TRP D 41 4.980 -9.543 4.314 1.00 0.00 C ATOM 1863 O TRP D 41 4.849 -10.719 3.973 1.00 0.00 O ATOM 1864 CB TRP D 41 3.216 -7.808 3.880 1.00 0.00 C ATOM 1865 CG TRP D 41 3.015 -8.508 2.571 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.931 -9.243 2.232 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.893 -8.521 1.412 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.103 -9.726 0.946 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.295 -9.300 0.399 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.142 -7.939 1.149 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.916 -9.492 -0.831 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.765 -8.125 -0.094 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.152 -8.900 -1.079 1.00 0.00 C ATOM 0 H TRP D 41 4.166 -7.018 6.017 1.00 0.00 H new ATOM 0 HA TRP D 41 3.046 -9.503 5.206 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.265 -7.413 4.238 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.884 -6.957 3.746 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.072 -9.423 2.861 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.431 -10.323 0.463 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.627 -7.344 1.908 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.442 -10.097 -1.590 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.723 -7.666 -0.289 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.636 -9.041 -2.034 1.00 0.00 H new ATOM 1884 N ILE D 42 6.119 -8.876 4.169 1.00 0.00 N ATOM 1885 CA ILE D 42 7.294 -9.518 3.592 1.00 0.00 C ATOM 1886 C ILE D 42 7.752 -10.670 4.482 1.00 0.00 C ATOM 1887 O ILE D 42 8.224 -11.698 3.997 1.00 0.00 O ATOM 1888 CB ILE D 42 8.431 -8.495 3.423 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.506 -9.067 2.490 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.065 -8.175 4.789 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.517 -7.970 2.147 1.00 0.00 C ATOM 0 H ILE D 42 6.254 -7.902 4.440 1.00 0.00 H new ATOM 0 HA ILE D 42 7.031 -9.913 2.611 1.00 0.00 H new ATOM 0 HB ILE D 42 8.019 -7.581 2.995 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.011 -9.905 2.970 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.046 -9.451 1.579 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.868 -7.450 4.656 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.307 -7.760 5.453 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.469 -9.088 5.226 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.282 -8.374 1.484 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.005 -7.146 1.650 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.985 -7.607 3.062 1.00 0.00 H new ATOM 1903 N LEU D 43 7.614 -10.485 5.794 1.00 0.00 N ATOM 1904 CA LEU D 43 8.020 -11.511 6.747 1.00 0.00 C ATOM 1905 C LEU D 43 7.227 -12.794 6.527 1.00 0.00 C ATOM 1906 O LEU D 43 7.789 -13.888 6.536 1.00 0.00 O ATOM 1907 CB LEU D 43 7.809 -11.003 8.181 1.00 0.00 C ATOM 1908 CG LEU D 43 8.205 -12.100 9.211 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.939 -11.467 10.401 1.00 0.00 C ATOM 1910 CD2 LEU D 43 6.946 -12.816 9.736 1.00 0.00 C ATOM 0 H LEU D 43 7.227 -9.641 6.217 1.00 0.00 H new ATOM 0 HA LEU D 43 9.077 -11.729 6.594 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.407 -10.107 8.347 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.766 -10.721 8.324 1.00 0.00 H new ATOM 0 HG LEU D 43 8.857 -12.817 8.712 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.211 -12.244 11.115 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.841 -10.966 10.048 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.287 -10.740 10.886 1.00 0.00 H new ATOM 0 HD21 LEU D 43 7.236 -13.581 10.456 1.00 0.00 H new ATOM 0 HD22 LEU D 43 6.291 -12.092 10.220 1.00 0.00 H new ATOM 0 HD23 LEU D 43 6.419 -13.282 8.904 1.00 0.00 H new