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= -0.798 K(o=-0.8,f=-4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -0.166 K(o=-0.17,f=-3!) USER MOD Single : B 37 HIS : no HD1:sc= -10.2! C(o=-10!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.45 K(o=-1.4,f=-5!) USER MOD Single : C 37 HIS : no HD1:sc= -9.68! C(o=-9.7!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -0.752 K(o=-0.75,f=-3.9!) USER MOD Single : D 37 HIS : no HD1:sc= -9.98! C(o=-10!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -6.091 12.555 1.065 1.00 0.00 N ATOM 124 CA VAL A 28 -6.721 12.172 2.322 1.00 0.00 C ATOM 125 C VAL A 28 -7.363 10.794 2.201 1.00 0.00 C ATOM 126 O VAL A 28 -7.294 9.982 3.124 1.00 0.00 O ATOM 127 CB VAL A 28 -7.777 13.203 2.719 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.094 14.528 3.070 1.00 0.00 C ATOM 129 CG2 VAL A 28 -8.738 13.423 1.552 1.00 0.00 C ATOM 0 HA VAL A 28 -5.952 12.134 3.094 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.330 12.838 3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.848 15.262 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.407 14.374 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.540 14.892 2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.491 14.158 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.183 13.786 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.226 12.482 1.300 1.00 0.00 H new ATOM 139 N ALA A 29 -7.989 10.542 1.058 1.00 0.00 N ATOM 140 CA ALA A 29 -8.643 9.259 0.823 1.00 0.00 C ATOM 141 C ALA A 29 -7.611 8.138 0.774 1.00 0.00 C ATOM 142 O ALA A 29 -7.855 7.037 1.267 1.00 0.00 O ATOM 143 CB ALA A 29 -9.418 9.300 -0.496 1.00 0.00 C ATOM 0 H ALA A 29 -8.058 11.203 0.284 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.335 9.068 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.903 8.338 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.174 10.084 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.730 9.507 -1.316 1.00 0.00 H new ATOM 149 N ALA A 30 -6.462 8.424 0.175 1.00 0.00 N ATOM 150 CA ALA A 30 -5.403 7.425 0.064 1.00 0.00 C ATOM 151 C ALA A 30 -4.997 6.921 1.444 1.00 0.00 C ATOM 152 O ALA A 30 -4.839 5.718 1.652 1.00 0.00 O ATOM 153 CB ALA A 30 -4.184 8.035 -0.636 1.00 0.00 C ATOM 0 H ALA A 30 -6.239 9.330 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.779 6.586 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.397 7.285 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.468 8.371 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.819 8.884 -0.057 1.00 0.00 H new ATOM 159 N ASN A 31 -4.830 7.847 2.384 1.00 0.00 N ATOM 160 CA ASN A 31 -4.442 7.475 3.740 1.00 0.00 C ATOM 161 C ASN A 31 -5.522 6.617 4.392 1.00 0.00 C ATOM 162 O ASN A 31 -5.225 5.609 5.034 1.00 0.00 O ATOM 163 CB ASN A 31 -4.220 8.737 4.578 1.00 0.00 C ATOM 164 CG ASN A 31 -2.906 9.401 4.180 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.064 8.776 3.534 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.679 10.637 4.530 1.00 0.00 N ATOM 0 H ASN A 31 -4.955 8.848 2.235 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.518 6.899 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.047 9.431 4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.202 8.482 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.802 11.088 4.269 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.378 11.152 5.065 1.00 0.00 H new ATOM 173 N ILE A 32 -6.777 7.018 4.218 1.00 0.00 N ATOM 174 CA ILE A 32 -7.893 6.274 4.791 1.00 0.00 C ATOM 175 C ILE A 32 -7.987 4.885 4.165 1.00 0.00 C ATOM 176 O ILE A 32 -8.187 3.890 4.863 1.00 0.00 O ATOM 177 CB ILE A 32 -9.202 7.033 4.557 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.191 8.327 5.373 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.384 6.165 4.995 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.339 9.228 4.914 1.00 0.00 C ATOM 0 H ILE A 32 -7.046 7.848 3.689 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.723 6.167 5.862 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.300 7.269 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.294 8.101 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.238 8.841 5.247 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.315 6.707 4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.392 5.242 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.288 5.927 6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.332 10.150 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.216 9.464 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.288 8.713 5.063 1.00 0.00 H new ATOM 192 N ILE A 33 -7.845 4.827 2.847 1.00 0.00 N ATOM 193 CA ILE A 33 -7.919 3.555 2.135 1.00 0.00 C ATOM 194 C ILE A 33 -6.784 2.633 2.571 1.00 0.00 C ATOM 195 O ILE A 33 -6.992 1.441 2.791 1.00 0.00 O ATOM 196 CB ILE A 33 -7.843 3.795 0.625 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.122 4.494 0.155 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.697 2.456 -0.101 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.918 5.027 -1.264 1.00 0.00 C ATOM 0 H ILE A 33 -7.679 5.639 2.252 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.869 3.078 2.375 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.981 4.423 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.959 3.797 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.371 5.312 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.643 2.629 -1.176 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.786 1.959 0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.558 1.825 0.122 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.828 5.525 -1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.092 5.738 -1.270 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.689 4.199 -1.934 1.00 0.00 H new ATOM 211 N GLY A 34 -5.586 3.193 2.685 1.00 0.00 N ATOM 212 CA GLY A 34 -4.424 2.406 3.087 1.00 0.00 C ATOM 213 C GLY A 34 -4.646 1.768 4.453 1.00 0.00 C ATOM 214 O GLY A 34 -4.403 0.575 4.640 1.00 0.00 O ATOM 0 H GLY A 34 -5.393 4.179 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.231 1.630 2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.541 3.044 3.118 1.00 0.00 H new ATOM 218 N ILE A 35 -5.121 2.565 5.401 1.00 0.00 N ATOM 219 CA ILE A 35 -5.382 2.065 6.745 1.00 0.00 C ATOM 220 C ILE A 35 -6.477 1.004 6.715 1.00 0.00 C ATOM 221 O ILE A 35 -6.384 -0.022 7.393 1.00 0.00 O ATOM 222 CB ILE A 35 -5.802 3.218 7.660 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.613 4.163 7.866 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.247 2.663 9.019 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.096 5.459 8.519 1.00 0.00 C ATOM 0 H ILE A 35 -5.332 3.554 5.266 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.468 1.615 7.132 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.628 3.760 7.200 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.861 3.686 8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.138 4.381 6.909 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.545 3.486 9.668 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.091 1.988 8.878 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.421 2.120 9.478 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.250 6.130 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.833 5.939 7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.550 5.233 9.484 1.00 0.00 H new ATOM 237 N LEU A 36 -7.525 1.266 5.944 1.00 0.00 N ATOM 238 CA LEU A 36 -8.640 0.336 5.856 1.00 0.00 C ATOM 239 C LEU A 36 -8.162 -1.017 5.325 1.00 0.00 C ATOM 240 O LEU A 36 -8.590 -2.068 5.795 1.00 0.00 O ATOM 241 CB LEU A 36 -9.722 0.909 4.918 1.00 0.00 C ATOM 242 CG LEU A 36 -11.108 0.450 5.388 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.176 1.019 4.459 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.175 -1.083 5.380 1.00 0.00 C ATOM 0 H LEU A 36 -7.625 2.107 5.376 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.060 0.195 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.672 1.998 4.911 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.545 0.575 3.896 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.284 0.810 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.161 0.692 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.130 2.108 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.002 0.664 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.161 -1.406 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.997 -1.450 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.415 -1.484 6.051 1.00 0.00 H new ATOM 256 N HIS A 37 -7.276 -0.975 4.337 1.00 0.00 N ATOM 257 CA HIS A 37 -6.752 -2.200 3.745 1.00 0.00 C ATOM 258 C HIS A 37 -6.057 -3.047 4.801 1.00 0.00 C ATOM 259 O HIS A 37 -6.203 -4.269 4.830 1.00 0.00 O ATOM 260 CB HIS A 37 -5.762 -1.862 2.630 1.00 0.00 C ATOM 261 CG HIS A 37 -5.264 -3.135 2.001 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.470 -3.430 0.665 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.568 -4.200 2.512 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.908 -4.628 0.423 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.344 -5.139 1.514 1.00 0.00 N ATOM 0 H HIS A 37 -6.908 -0.114 3.932 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.586 -2.765 3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.243 -1.236 1.879 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.925 -1.291 3.032 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.243 -4.294 3.537 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.914 -5.116 -0.540 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.853 -6.029 1.599 1.00 0.00 H new ATOM 273 N LEU A 38 -5.297 -2.394 5.669 1.00 0.00 N ATOM 274 CA LEU A 38 -4.579 -3.105 6.717 1.00 0.00 C ATOM 275 C LEU A 38 -5.539 -3.836 7.634 1.00 0.00 C ATOM 276 O LEU A 38 -5.249 -4.940 8.075 1.00 0.00 O ATOM 277 CB LEU A 38 -3.732 -2.113 7.538 1.00 0.00 C ATOM 278 CG LEU A 38 -2.317 -2.014 6.943 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.676 -0.688 7.339 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.455 -3.172 7.474 1.00 0.00 C ATOM 0 H LEU A 38 -5.162 -1.383 5.669 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.927 -3.839 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.205 -1.131 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.677 -2.441 8.576 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.384 -2.071 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.674 -0.627 6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.282 0.136 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.613 -0.624 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.452 -3.102 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.397 -3.114 8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.904 -4.122 7.185 1.00 0.00 H new ATOM 292 N ILE A 39 -6.661 -3.204 7.936 1.00 0.00 N ATOM 293 CA ILE A 39 -7.640 -3.806 8.830 1.00 0.00 C ATOM 294 C ILE A 39 -8.169 -5.109 8.239 1.00 0.00 C ATOM 295 O ILE A 39 -8.296 -6.109 8.936 1.00 0.00 O ATOM 296 CB ILE A 39 -8.803 -2.834 9.046 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.308 -1.612 9.826 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.913 -3.530 9.843 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.413 -0.553 9.880 1.00 0.00 C ATOM 0 H ILE A 39 -6.917 -2.283 7.580 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.159 -4.021 9.784 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.194 -2.517 8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.022 -1.905 10.836 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.419 -1.200 9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.740 -2.837 9.996 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.266 -4.401 9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.522 -3.848 10.810 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.058 0.315 10.435 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.678 -0.252 8.867 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.290 -0.968 10.377 1.00 0.00 H new ATOM 311 N LEU A 40 -8.487 -5.087 6.953 1.00 0.00 N ATOM 312 CA LEU A 40 -9.003 -6.274 6.285 1.00 0.00 C ATOM 313 C LEU A 40 -7.892 -7.285 6.035 1.00 0.00 C ATOM 314 O LEU A 40 -8.077 -8.488 6.225 1.00 0.00 O ATOM 315 CB LEU A 40 -9.651 -5.882 4.956 1.00 0.00 C ATOM 316 CG LEU A 40 -10.907 -5.044 5.225 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.413 -4.449 3.910 1.00 0.00 C ATOM 318 CD2 LEU A 40 -12.005 -5.924 5.853 1.00 0.00 C ATOM 0 H LEU A 40 -8.398 -4.266 6.354 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.749 -6.734 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.946 -5.314 4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.912 -6.776 4.389 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.659 -4.240 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.306 -3.853 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.640 -3.816 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.655 -5.254 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.893 -5.320 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.256 -6.736 5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.644 -6.340 6.794 1.00 0.00 H new ATOM 330 N TRP A 41 -6.746 -6.788 5.584 1.00 0.00 N ATOM 331 CA TRP A 41 -5.618 -7.658 5.287 1.00 0.00 C ATOM 332 C TRP A 41 -5.090 -8.323 6.553 1.00 0.00 C ATOM 333 O TRP A 41 -4.835 -9.529 6.576 1.00 0.00 O ATOM 334 CB TRP A 41 -4.503 -6.855 4.606 1.00 0.00 C ATOM 335 CG TRP A 41 -3.271 -7.698 4.512 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.025 -8.610 3.542 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.104 -7.705 5.382 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.794 -9.192 3.779 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.184 -8.658 4.897 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.758 -6.980 6.537 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.030 -8.891 5.535 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.530 -7.209 7.179 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.361 -8.159 6.678 1.00 0.00 C ATOM 0 H TRP A 41 -6.575 -5.796 5.418 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.959 -8.442 4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.820 -6.543 3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.294 -5.948 5.173 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.683 -8.844 2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.386 -9.926 3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.441 -6.243 6.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.713 -9.633 5.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.274 -6.647 8.065 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.306 -8.328 7.173 1.00 0.00 H new ATOM 354 N ILE A 42 -4.907 -7.523 7.592 1.00 0.00 N ATOM 355 CA ILE A 42 -4.388 -8.037 8.850 1.00 0.00 C ATOM 356 C ILE A 42 -5.405 -8.969 9.503 1.00 0.00 C ATOM 357 O ILE A 42 -5.043 -9.985 10.096 1.00 0.00 O ATOM 358 CB ILE A 42 -4.063 -6.874 9.796 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.139 -7.368 10.913 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.358 -6.326 10.414 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.714 -6.184 11.781 1.00 0.00 C ATOM 0 H ILE A 42 -5.108 -6.523 7.590 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.477 -8.600 8.648 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.569 -6.082 9.233 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.652 -8.113 11.521 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.262 -7.854 10.486 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.120 -5.500 11.085 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.018 -5.972 9.622 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.857 -7.117 10.975 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.056 -6.534 12.577 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.185 -5.454 11.168 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.597 -5.718 12.219 1.00 0.00 H new ATOM 373 N LEU A 43 -6.677 -8.602 9.404 1.00 0.00 N ATOM 374 CA LEU A 43 -7.734 -9.399 9.997 1.00 0.00 C ATOM 375 C LEU A 43 -7.779 -10.783 9.365 1.00 0.00 C ATOM 376 O LEU A 43 -7.963 -11.786 10.056 1.00 0.00 O ATOM 377 CB LEU A 43 -9.081 -8.700 9.809 1.00 0.00 C ATOM 378 CG LEU A 43 -10.219 -9.609 10.332 1.00 0.00 C ATOM 379 CD1 LEU A 43 -11.223 -8.777 11.133 1.00 0.00 C ATOM 380 CD2 LEU A 43 -10.938 -10.267 9.147 1.00 0.00 C ATOM 0 H LEU A 43 -6.996 -7.762 8.921 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.530 -9.508 11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.086 -7.750 10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.240 -8.473 8.755 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.792 -10.379 10.975 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.021 -9.423 11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.717 -8.312 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.647 -8.003 10.493 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -11.739 -10.907 9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.359 -9.495 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.228 -10.867 8.578 1.00 0.00 H new ATOM 633 N VAL B 28 0.139 11.501 -7.804 1.00 0.00 N ATOM 634 CA VAL B 28 -1.169 11.162 -8.350 1.00 0.00 C ATOM 635 C VAL B 28 -1.206 9.699 -8.779 1.00 0.00 C ATOM 636 O VAL B 28 -2.199 9.004 -8.568 1.00 0.00 O ATOM 637 CB VAL B 28 -1.492 12.060 -9.546 1.00 0.00 C ATOM 638 CG1 VAL B 28 -1.691 13.498 -9.066 1.00 0.00 C ATOM 639 CG2 VAL B 28 -0.335 12.012 -10.544 1.00 0.00 C ATOM 0 HA VAL B 28 -1.917 11.320 -7.573 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.404 11.709 -10.028 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -1.921 14.137 -9.918 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.515 13.533 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -0.779 13.850 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.563 12.651 -11.397 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.577 12.363 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.192 10.987 -10.887 1.00 0.00 H new ATOM 649 N ALA B 29 -0.117 9.241 -9.384 1.00 0.00 N ATOM 650 CA ALA B 29 -0.032 7.859 -9.840 1.00 0.00 C ATOM 651 C ALA B 29 -0.063 6.902 -8.654 1.00 0.00 C ATOM 652 O ALA B 29 -0.667 5.833 -8.723 1.00 0.00 O ATOM 653 CB ALA B 29 1.261 7.647 -10.634 1.00 0.00 C ATOM 0 H ALA B 29 0.715 9.802 -9.569 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.889 7.655 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.316 6.612 -10.971 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.270 8.311 -11.499 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.119 7.868 -9.998 1.00 0.00 H new ATOM 659 N ALA B 30 0.592 7.292 -7.566 1.00 0.00 N ATOM 660 CA ALA B 30 0.634 6.457 -6.371 1.00 0.00 C ATOM 661 C ALA B 30 -0.777 6.167 -5.874 1.00 0.00 C ATOM 662 O ALA B 30 -1.100 5.029 -5.528 1.00 0.00 O ATOM 663 CB ALA B 30 1.430 7.161 -5.271 1.00 0.00 C ATOM 0 H ALA B 30 1.098 8.174 -7.486 1.00 0.00 H new ATOM 0 HA ALA B 30 1.120 5.515 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.457 6.531 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.447 7.343 -5.618 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.954 8.111 -5.029 1.00 0.00 H new ATOM 669 N ASN B 31 -1.612 7.200 -5.836 1.00 0.00 N ATOM 670 CA ASN B 31 -2.987 7.037 -5.374 1.00 0.00 C ATOM 671 C ASN B 31 -3.756 6.102 -6.303 1.00 0.00 C ATOM 672 O ASN B 31 -4.498 5.231 -5.845 1.00 0.00 O ATOM 673 CB ASN B 31 -3.683 8.401 -5.329 1.00 0.00 C ATOM 674 CG ASN B 31 -3.180 9.201 -4.133 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.577 8.640 -3.218 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.393 10.488 -4.085 1.00 0.00 N ATOM 0 H ASN B 31 -1.365 8.149 -6.116 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.969 6.603 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.489 8.949 -6.251 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.762 8.266 -5.259 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.060 11.031 -3.288 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.893 10.951 -4.844 1.00 0.00 H new ATOM 683 N ILE B 32 -3.574 6.286 -7.606 1.00 0.00 N ATOM 684 CA ILE B 32 -4.255 5.449 -8.587 1.00 0.00 C ATOM 685 C ILE B 32 -3.777 4.004 -8.483 1.00 0.00 C ATOM 686 O ILE B 32 -4.578 3.070 -8.520 1.00 0.00 O ATOM 687 CB ILE B 32 -3.988 5.978 -10.000 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.672 7.337 -10.169 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.548 4.994 -11.031 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.167 8.005 -11.449 1.00 0.00 C ATOM 0 H ILE B 32 -2.966 7.001 -8.005 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.325 5.480 -8.384 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.914 6.087 -10.151 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.753 7.209 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.463 7.971 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.357 5.372 -12.036 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -4.064 4.025 -10.910 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.622 4.884 -10.883 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.653 8.973 -11.571 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.088 8.147 -11.384 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.399 7.372 -12.306 1.00 0.00 H new ATOM 702 N ILE B 33 -2.468 3.829 -8.356 1.00 0.00 N ATOM 703 CA ILE B 33 -1.893 2.494 -8.250 1.00 0.00 C ATOM 704 C ILE B 33 -2.384 1.799 -6.984 1.00 0.00 C ATOM 705 O ILE B 33 -2.728 0.618 -7.007 1.00 0.00 O ATOM 706 CB ILE B 33 -0.364 2.582 -8.236 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.135 3.030 -9.613 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.228 1.210 -7.905 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.602 3.449 -9.511 1.00 0.00 C ATOM 0 H ILE B 33 -1.788 4.589 -8.324 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.211 1.910 -9.114 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.052 3.304 -7.481 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.026 2.219 -10.333 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.468 3.862 -9.977 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.316 1.276 -7.896 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.124 0.889 -6.925 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.085 0.487 -8.658 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.958 3.768 -10.491 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.697 4.273 -8.804 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.198 2.605 -9.165 1.00 0.00 H new ATOM 721 N GLY B 34 -2.401 2.537 -5.881 1.00 0.00 N ATOM 722 CA GLY B 34 -2.840 1.977 -4.610 1.00 0.00 C ATOM 723 C GLY B 34 -4.272 1.460 -4.708 1.00 0.00 C ATOM 724 O GLY B 34 -4.572 0.345 -4.278 1.00 0.00 O ATOM 0 H GLY B 34 -2.118 3.516 -5.841 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.175 1.164 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.776 2.737 -3.832 1.00 0.00 H new ATOM 728 N ILE B 35 -5.147 2.271 -5.287 1.00 0.00 N ATOM 729 CA ILE B 35 -6.543 1.883 -5.448 1.00 0.00 C ATOM 730 C ILE B 35 -6.656 0.673 -6.373 1.00 0.00 C ATOM 731 O ILE B 35 -7.431 -0.249 -6.116 1.00 0.00 O ATOM 732 CB ILE B 35 -7.349 3.051 -6.021 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.419 4.177 -4.984 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.770 2.581 -6.354 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.965 5.447 -5.642 1.00 0.00 C ATOM 0 H ILE B 35 -4.918 3.196 -5.651 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.944 1.616 -4.470 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.865 3.415 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.060 3.881 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.428 4.366 -4.570 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.343 3.414 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.725 1.777 -7.089 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.254 2.217 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.014 6.247 -4.903 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.307 5.746 -6.458 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.963 5.253 -6.034 1.00 0.00 H new ATOM 747 N LEU B 36 -5.892 0.694 -7.458 1.00 0.00 N ATOM 748 CA LEU B 36 -5.932 -0.396 -8.422 1.00 0.00 C ATOM 749 C LEU B 36 -5.523 -1.709 -7.752 1.00 0.00 C ATOM 750 O LEU B 36 -6.110 -2.759 -8.005 1.00 0.00 O ATOM 751 CB LEU B 36 -4.979 -0.089 -9.593 1.00 0.00 C ATOM 752 CG LEU B 36 -5.532 -0.705 -10.884 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.585 -0.400 -12.040 1.00 0.00 C ATOM 754 CD2 LEU B 36 -5.674 -2.224 -10.715 1.00 0.00 C ATOM 0 H LEU B 36 -5.244 1.446 -7.690 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.949 -0.496 -8.801 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.868 0.989 -9.711 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.988 -0.490 -9.383 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.512 -0.277 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.978 -0.838 -12.958 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.496 0.679 -12.162 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.603 -0.823 -11.828 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.067 -2.657 -11.635 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.698 -2.659 -10.497 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.357 -2.436 -9.893 1.00 0.00 H new ATOM 766 N HIS B 37 -4.508 -1.638 -6.900 1.00 0.00 N ATOM 767 CA HIS B 37 -4.027 -2.826 -6.206 1.00 0.00 C ATOM 768 C HIS B 37 -5.145 -3.446 -5.378 1.00 0.00 C ATOM 769 O HIS B 37 -5.303 -4.667 -5.347 1.00 0.00 O ATOM 770 CB HIS B 37 -2.859 -2.461 -5.291 1.00 0.00 C ATOM 771 CG HIS B 37 -2.346 -3.700 -4.611 1.00 0.00 C ATOM 772 ND1 HIS B 37 -1.050 -4.152 -4.774 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.946 -4.598 -3.764 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.914 -5.271 -4.045 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.039 -5.587 -3.408 1.00 0.00 N ATOM 0 H HIS B 37 -4.006 -0.779 -6.674 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.692 -3.549 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -2.062 -1.995 -5.870 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.180 -1.732 -4.547 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.970 -4.543 -3.425 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -0.002 -5.846 -3.983 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.200 -6.384 -2.792 1.00 0.00 H new ATOM 783 N LEU B 38 -5.914 -2.604 -4.704 1.00 0.00 N ATOM 784 CA LEU B 38 -7.007 -3.089 -3.875 1.00 0.00 C ATOM 785 C LEU B 38 -8.019 -3.856 -4.702 1.00 0.00 C ATOM 786 O LEU B 38 -8.553 -4.857 -4.244 1.00 0.00 O ATOM 787 CB LEU B 38 -7.701 -1.902 -3.177 1.00 0.00 C ATOM 788 CG LEU B 38 -7.072 -1.664 -1.793 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.322 -0.229 -1.348 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.703 -2.628 -0.773 1.00 0.00 C ATOM 0 H LEU B 38 -5.803 -1.590 -4.714 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.593 -3.764 -3.126 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.606 -1.004 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.767 -2.104 -3.071 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.998 -1.840 -1.854 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.874 -0.069 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.876 0.458 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.395 -0.048 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.259 -2.461 0.208 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.777 -2.450 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.521 -3.657 -1.084 1.00 0.00 H new ATOM 802 N ILE B 39 -8.298 -3.364 -5.898 1.00 0.00 N ATOM 803 CA ILE B 39 -9.277 -4.009 -6.760 1.00 0.00 C ATOM 804 C ILE B 39 -8.835 -5.428 -7.099 1.00 0.00 C ATOM 805 O ILE B 39 -9.630 -6.360 -7.062 1.00 0.00 O ATOM 806 CB ILE B 39 -9.431 -3.201 -8.054 1.00 0.00 C ATOM 807 CG1 ILE B 39 -10.073 -1.847 -7.735 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.324 -3.967 -9.036 1.00 0.00 C ATOM 809 CD1 ILE B 39 -10.044 -0.956 -8.982 1.00 0.00 C ATOM 0 H ILE B 39 -7.866 -2.528 -6.292 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.231 -4.053 -6.235 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.450 -3.045 -8.502 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.101 -1.990 -7.402 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.538 -1.363 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.432 -3.391 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.871 -4.932 -9.264 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.306 -4.124 -8.589 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.501 0.006 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -9.011 -0.802 -9.295 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.599 -1.438 -9.787 1.00 0.00 H new ATOM 821 N LEU B 40 -7.565 -5.585 -7.440 1.00 0.00 N ATOM 822 CA LEU B 40 -7.036 -6.899 -7.784 1.00 0.00 C ATOM 823 C LEU B 40 -6.854 -7.756 -6.539 1.00 0.00 C ATOM 824 O LEU B 40 -7.170 -8.946 -6.539 1.00 0.00 O ATOM 825 CB LEU B 40 -5.694 -6.747 -8.502 1.00 0.00 C ATOM 826 CG LEU B 40 -5.916 -6.078 -9.865 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.563 -5.702 -10.475 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.662 -7.039 -10.812 1.00 0.00 C ATOM 0 H LEU B 40 -6.885 -4.826 -7.486 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.751 -7.393 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -5.012 -6.149 -7.898 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.228 -7.723 -8.636 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.517 -5.179 -9.728 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.720 -5.227 -11.443 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -4.044 -5.010 -9.811 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.960 -6.601 -10.605 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.814 -6.554 -11.776 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.072 -7.945 -10.950 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.628 -7.299 -10.380 1.00 0.00 H new ATOM 840 N TRP B 41 -6.323 -7.145 -5.486 1.00 0.00 N ATOM 841 CA TRP B 41 -6.081 -7.866 -4.244 1.00 0.00 C ATOM 842 C TRP B 41 -7.392 -8.309 -3.605 1.00 0.00 C ATOM 843 O TRP B 41 -7.532 -9.456 -3.172 1.00 0.00 O ATOM 844 CB TRP B 41 -5.292 -6.983 -3.273 1.00 0.00 C ATOM 845 CG TRP B 41 -5.248 -7.639 -1.928 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.367 -8.600 -1.564 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.081 -7.382 -0.764 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.628 -8.966 -0.254 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.667 -8.235 0.283 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.146 -6.499 -0.514 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.293 -8.216 1.527 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.772 -6.475 0.742 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.345 -7.331 1.758 1.00 0.00 C ATOM 0 H TRP B 41 -6.054 -6.161 -5.468 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.498 -8.758 -4.473 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.280 -6.826 -3.647 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.759 -6.001 -3.196 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.590 -9.013 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.115 -9.688 0.252 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.485 -5.834 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.965 -8.884 2.309 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.588 -5.791 0.923 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.829 -7.308 2.723 1.00 0.00 H new ATOM 864 N ILE B 42 -8.340 -7.387 -3.527 1.00 0.00 N ATOM 865 CA ILE B 42 -9.626 -7.684 -2.919 1.00 0.00 C ATOM 866 C ILE B 42 -10.402 -8.683 -3.772 1.00 0.00 C ATOM 867 O ILE B 42 -11.090 -9.561 -3.251 1.00 0.00 O ATOM 868 CB ILE B 42 -10.440 -6.393 -2.758 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.579 -6.626 -1.761 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.030 -5.978 -4.115 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.303 -5.307 -1.497 1.00 0.00 C ATOM 0 H ILE B 42 -8.243 -6.433 -3.875 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.453 -8.124 -1.937 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.787 -5.602 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.277 -7.364 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.184 -7.029 -0.829 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.607 -5.061 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.222 -5.808 -4.826 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.680 -6.770 -4.487 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.114 -5.473 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.601 -4.583 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.712 -4.923 -2.432 1.00 0.00 H new ATOM 883 N LEU B 43 -10.296 -8.528 -5.086 1.00 0.00 N ATOM 884 CA LEU B 43 -10.997 -9.408 -6.003 1.00 0.00 C ATOM 885 C LEU B 43 -10.508 -10.841 -5.849 1.00 0.00 C ATOM 886 O LEU B 43 -11.298 -11.785 -5.869 1.00 0.00 O ATOM 887 CB LEU B 43 -10.783 -8.938 -7.442 1.00 0.00 C ATOM 888 CG LEU B 43 -11.435 -9.947 -8.422 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.188 -9.190 -9.517 1.00 0.00 C ATOM 890 CD2 LEU B 43 -10.346 -10.819 -9.061 1.00 0.00 C ATOM 0 H LEU B 43 -9.734 -7.805 -5.535 1.00 0.00 H new ATOM 0 HA LEU B 43 -12.061 -9.377 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -11.218 -7.948 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.717 -8.849 -7.651 1.00 0.00 H new ATOM 0 HG LEU B 43 -12.134 -10.579 -7.874 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.645 -9.903 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.965 -8.573 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.492 -8.554 -10.064 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.805 -11.528 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -9.646 -10.186 -9.606 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.812 -11.364 -8.282 1.00 0.00 H new ATOM 1143 N VAL C 28 8.647 10.703 -1.547 1.00 0.00 N ATOM 1144 CA VAL C 28 9.166 10.110 -2.774 1.00 0.00 C ATOM 1145 C VAL C 28 9.467 8.630 -2.565 1.00 0.00 C ATOM 1146 O VAL C 28 9.199 7.801 -3.437 1.00 0.00 O ATOM 1147 CB VAL C 28 10.434 10.837 -3.218 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.080 12.259 -3.660 1.00 0.00 C ATOM 1149 CG2 VAL C 28 11.424 10.899 -2.053 1.00 0.00 C ATOM 0 HA VAL C 28 8.408 10.210 -3.551 1.00 0.00 H new ATOM 0 HB VAL C 28 10.886 10.298 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL C 28 10.985 12.777 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL C 28 9.376 12.217 -4.491 1.00 0.00 H new ATOM 0 HG13 VAL C 28 9.626 12.797 -2.827 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.328 11.418 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL C 28 10.972 11.436 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.678 9.887 -1.737 1.00 0.00 H new ATOM 1159 N ALA C 29 10.029 8.304 -1.408 1.00 0.00 N ATOM 1160 CA ALA C 29 10.363 6.920 -1.091 1.00 0.00 C ATOM 1161 C ALA C 29 9.097 6.076 -0.986 1.00 0.00 C ATOM 1162 O ALA C 29 9.078 4.918 -1.398 1.00 0.00 O ATOM 1163 CB ALA C 29 11.133 6.856 0.228 1.00 0.00 C ATOM 0 H ALA C 29 10.263 8.975 -0.676 1.00 0.00 H new ATOM 0 HA ALA C 29 10.986 6.523 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.378 5.819 0.456 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.052 7.435 0.141 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.519 7.268 1.028 1.00 0.00 H new ATOM 1169 N ALA C 30 8.044 6.663 -0.431 1.00 0.00 N ATOM 1170 CA ALA C 30 6.782 5.950 -0.272 1.00 0.00 C ATOM 1171 C ALA C 30 6.261 5.476 -1.623 1.00 0.00 C ATOM 1172 O ALA C 30 5.827 4.333 -1.766 1.00 0.00 O ATOM 1173 CB ALA C 30 5.745 6.865 0.384 1.00 0.00 C ATOM 0 H ALA C 30 8.037 7.623 -0.086 1.00 0.00 H new ATOM 0 HA ALA C 30 6.954 5.081 0.363 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.805 6.325 0.499 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.105 7.180 1.363 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.585 7.742 -0.243 1.00 0.00 H new ATOM 1179 N ASN C 31 6.308 6.361 -2.617 1.00 0.00 N ATOM 1180 CA ASN C 31 5.836 6.015 -3.953 1.00 0.00 C ATOM 1181 C ASN C 31 6.680 4.891 -4.543 1.00 0.00 C ATOM 1182 O ASN C 31 6.151 3.950 -5.136 1.00 0.00 O ATOM 1183 CB ASN C 31 5.912 7.245 -4.862 1.00 0.00 C ATOM 1184 CG ASN C 31 4.788 8.215 -4.523 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.816 7.837 -3.869 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.864 9.455 -4.924 1.00 0.00 N ATOM 0 H ASN C 31 6.664 7.312 -2.523 1.00 0.00 H new ATOM 0 HA ASN C 31 4.802 5.677 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.877 7.737 -4.741 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.838 6.941 -5.906 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.118 10.112 -4.695 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.670 9.767 -5.466 1.00 0.00 H new ATOM 1193 N ILE C 32 7.996 4.994 -4.379 1.00 0.00 N ATOM 1194 CA ILE C 32 8.901 3.977 -4.900 1.00 0.00 C ATOM 1195 C ILE C 32 8.670 2.641 -4.199 1.00 0.00 C ATOM 1196 O ILE C 32 8.629 1.590 -4.841 1.00 0.00 O ATOM 1197 CB ILE C 32 10.354 4.419 -4.698 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.646 5.628 -5.591 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.297 3.270 -5.070 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.977 6.258 -5.175 1.00 0.00 C ATOM 0 H ILE C 32 8.455 5.765 -3.894 1.00 0.00 H new ATOM 0 HA ILE C 32 8.703 3.853 -5.965 1.00 0.00 H new ATOM 0 HB ILE C 32 10.509 4.690 -3.654 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.688 5.321 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.842 6.360 -5.506 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.330 3.586 -4.926 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.089 2.409 -4.435 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.144 2.997 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.186 7.119 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.918 6.580 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.776 5.525 -5.283 1.00 0.00 H new ATOM 1212 N ILE C 33 8.526 2.689 -2.880 1.00 0.00 N ATOM 1213 CA ILE C 33 8.304 1.478 -2.101 1.00 0.00 C ATOM 1214 C ILE C 33 6.983 0.824 -2.494 1.00 0.00 C ATOM 1215 O ILE C 33 6.904 -0.394 -2.648 1.00 0.00 O ATOM 1216 CB ILE C 33 8.297 1.812 -0.607 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.706 2.212 -0.166 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.845 0.584 0.191 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.641 2.865 1.217 1.00 0.00 C ATOM 0 H ILE C 33 8.559 3.548 -2.331 1.00 0.00 H new ATOM 0 HA ILE C 33 9.114 0.778 -2.308 1.00 0.00 H new ATOM 0 HB ILE C 33 7.609 2.638 -0.425 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.352 1.335 -0.136 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.142 2.904 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.840 0.823 1.255 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.841 0.297 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.532 -0.242 0.008 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.645 3.150 1.532 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.009 3.752 1.171 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.223 2.158 1.934 1.00 0.00 H new ATOM 1231 N GLY C 34 5.947 1.640 -2.644 1.00 0.00 N ATOM 1232 CA GLY C 34 4.632 1.127 -3.008 1.00 0.00 C ATOM 1233 C GLY C 34 4.690 0.380 -4.335 1.00 0.00 C ATOM 1234 O GLY C 34 4.166 -0.729 -4.459 1.00 0.00 O ATOM 0 H GLY C 34 5.990 2.652 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.268 0.461 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.923 1.951 -3.080 1.00 0.00 H new ATOM 1238 N ILE C 35 5.338 0.986 -5.321 1.00 0.00 N ATOM 1239 CA ILE C 35 5.469 0.366 -6.633 1.00 0.00 C ATOM 1240 C ILE C 35 6.283 -0.921 -6.535 1.00 0.00 C ATOM 1241 O ILE C 35 5.951 -1.930 -7.157 1.00 0.00 O ATOM 1242 CB ILE C 35 6.144 1.334 -7.606 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.211 2.519 -7.872 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.435 0.615 -8.928 1.00 0.00 C ATOM 1245 CD1 ILE C 35 5.978 3.623 -8.604 1.00 0.00 C ATOM 0 H ILE C 35 5.779 1.902 -5.238 1.00 0.00 H new ATOM 0 HA ILE C 35 4.473 0.124 -7.003 1.00 0.00 H new ATOM 0 HB ILE C 35 7.078 1.690 -7.172 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.359 2.197 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.814 2.901 -6.931 1.00 0.00 H new ATOM 0 HG21 ILE C 35 6.916 1.306 -9.620 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.096 -0.232 -8.744 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.501 0.259 -9.362 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.312 4.465 -8.792 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.816 3.953 -7.990 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.353 3.238 -9.552 1.00 0.00 H new ATOM 1257 N LEU C 36 7.365 -0.871 -5.766 1.00 0.00 N ATOM 1258 CA LEU C 36 8.230 -2.030 -5.614 1.00 0.00 C ATOM 1259 C LEU C 36 7.451 -3.199 -5.012 1.00 0.00 C ATOM 1260 O LEU C 36 7.618 -4.349 -5.414 1.00 0.00 O ATOM 1261 CB LEU C 36 9.422 -1.675 -4.707 1.00 0.00 C ATOM 1262 CG LEU C 36 10.657 -2.476 -5.135 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.835 -2.126 -4.229 1.00 0.00 C ATOM 1264 CD2 LEU C 36 10.358 -3.979 -5.040 1.00 0.00 C ATOM 0 H LEU C 36 7.661 -0.047 -5.243 1.00 0.00 H new ATOM 0 HA LEU C 36 8.599 -2.324 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.631 -0.607 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.178 -1.894 -3.668 1.00 0.00 H new ATOM 0 HG LEU C 36 10.909 -2.226 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.712 -2.697 -4.535 1.00 0.00 H new ATOM 0 HD12 LEU C 36 12.050 -1.060 -4.307 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.585 -2.371 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.238 -4.545 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU C 36 10.100 -4.234 -4.012 1.00 0.00 H new ATOM 0 HD23 LEU C 36 9.523 -4.226 -5.695 1.00 0.00 H new ATOM 1276 N HIS C 37 6.599 -2.893 -4.040 1.00 0.00 N ATOM 1277 CA HIS C 37 5.805 -3.925 -3.385 1.00 0.00 C ATOM 1278 C HIS C 37 4.923 -4.641 -4.398 1.00 0.00 C ATOM 1279 O HIS C 37 4.772 -5.862 -4.353 1.00 0.00 O ATOM 1280 CB HIS C 37 4.931 -3.301 -2.299 1.00 0.00 C ATOM 1281 CG HIS C 37 4.149 -4.381 -1.601 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.287 -4.641 -0.249 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.217 -5.278 -2.058 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.459 -5.657 0.053 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.783 -6.080 -1.011 1.00 0.00 N ATOM 0 H HIS C 37 6.441 -1.948 -3.691 1.00 0.00 H new ATOM 0 HA HIS C 37 6.484 -4.648 -2.933 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.552 -2.765 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.251 -2.572 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.873 -5.350 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.356 -6.079 1.042 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.094 -6.831 -1.050 1.00 0.00 H new ATOM 1293 N LEU C 38 4.336 -3.877 -5.309 1.00 0.00 N ATOM 1294 CA LEU C 38 3.466 -4.454 -6.323 1.00 0.00 C ATOM 1295 C LEU C 38 4.221 -5.441 -7.190 1.00 0.00 C ATOM 1296 O LEU C 38 3.678 -6.469 -7.570 1.00 0.00 O ATOM 1297 CB LEU C 38 2.873 -3.337 -7.203 1.00 0.00 C ATOM 1298 CG LEU C 38 1.522 -2.880 -6.631 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.203 -1.469 -7.113 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.414 -3.840 -7.104 1.00 0.00 C ATOM 0 H LEU C 38 4.445 -2.865 -5.367 1.00 0.00 H new ATOM 0 HA LEU C 38 2.661 -4.986 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.562 -2.494 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.742 -3.697 -8.223 1.00 0.00 H new ATOM 0 HG LEU C 38 1.576 -2.885 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.244 -1.153 -6.703 1.00 0.00 H new ATOM 0 HD12 LEU C 38 1.984 -0.785 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.153 -1.459 -8.202 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.545 -3.517 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.368 -3.834 -8.193 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.634 -4.849 -6.755 1.00 0.00 H new ATOM 1312 N ILE C 39 5.460 -5.108 -7.519 1.00 0.00 N ATOM 1313 CA ILE C 39 6.266 -5.973 -8.367 1.00 0.00 C ATOM 1314 C ILE C 39 6.476 -7.328 -7.700 1.00 0.00 C ATOM 1315 O ILE C 39 6.362 -8.369 -8.339 1.00 0.00 O ATOM 1316 CB ILE C 39 7.625 -5.317 -8.628 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.429 -4.064 -9.484 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.539 -6.301 -9.367 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.752 -3.295 -9.586 1.00 0.00 C ATOM 0 H ILE C 39 5.926 -4.253 -7.215 1.00 0.00 H new ATOM 0 HA ILE C 39 5.742 -6.122 -9.311 1.00 0.00 H new ATOM 0 HB ILE C 39 8.082 -5.043 -7.677 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.081 -4.342 -10.479 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.661 -3.428 -9.044 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.505 -5.832 -9.551 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.680 -7.194 -8.758 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.083 -6.578 -10.317 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.608 -2.403 -10.196 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.081 -3.003 -8.589 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.508 -3.931 -10.046 1.00 0.00 H new ATOM 1331 N LEU C 40 6.795 -7.309 -6.414 1.00 0.00 N ATOM 1332 CA LEU C 40 7.020 -8.546 -5.677 1.00 0.00 C ATOM 1333 C LEU C 40 5.704 -9.250 -5.382 1.00 0.00 C ATOM 1334 O LEU C 40 5.599 -10.473 -5.505 1.00 0.00 O ATOM 1335 CB LEU C 40 7.746 -8.242 -4.364 1.00 0.00 C ATOM 1336 CG LEU C 40 9.161 -7.734 -4.670 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.794 -7.190 -3.386 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.025 -8.882 -5.228 1.00 0.00 C ATOM 0 H LEU C 40 6.903 -6.458 -5.862 1.00 0.00 H new ATOM 0 HA LEU C 40 7.634 -9.204 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.194 -7.494 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.795 -9.139 -3.747 1.00 0.00 H new ATOM 0 HG LEU C 40 9.104 -6.940 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.800 -6.828 -3.601 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.188 -6.370 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.845 -7.984 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.028 -8.512 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.084 -9.684 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.575 -9.263 -6.145 1.00 0.00 H new ATOM 1350 N TRP C 41 4.708 -8.475 -4.967 1.00 0.00 N ATOM 1351 CA TRP C 41 3.409 -9.036 -4.632 1.00 0.00 C ATOM 1352 C TRP C 41 2.733 -9.626 -5.865 1.00 0.00 C ATOM 1353 O TRP C 41 2.202 -10.740 -5.827 1.00 0.00 O ATOM 1354 CB TRP C 41 2.516 -7.957 -4.007 1.00 0.00 C ATOM 1355 CG TRP C 41 1.120 -8.480 -3.879 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.671 -9.252 -2.862 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.017 -8.262 -4.760 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.665 -9.541 -3.079 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.135 -8.944 -4.231 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.187 -7.545 -5.958 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.372 -8.918 -4.870 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.436 -7.514 -6.597 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.524 -8.198 -6.051 1.00 0.00 C ATOM 0 H TRP C 41 4.776 -7.463 -4.856 1.00 0.00 H new ATOM 0 HA TRP C 41 3.560 -9.839 -3.910 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.901 -7.673 -3.028 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.525 -7.059 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.258 -9.587 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.232 -10.124 -2.463 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.649 -7.015 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.210 -9.455 -4.451 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.556 -6.959 -7.515 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.484 -8.168 -6.545 1.00 0.00 H new ATOM 1374 N ILE C 42 2.741 -8.866 -6.949 1.00 0.00 N ATOM 1375 CA ILE C 42 2.111 -9.312 -8.182 1.00 0.00 C ATOM 1376 C ILE C 42 2.875 -10.492 -8.772 1.00 0.00 C ATOM 1377 O ILE C 42 2.281 -11.422 -9.318 1.00 0.00 O ATOM 1378 CB ILE C 42 2.068 -8.158 -9.193 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.062 -8.488 -10.300 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.459 -7.958 -9.815 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.915 -7.284 -11.230 1.00 0.00 C ATOM 0 H ILE C 42 3.174 -7.944 -7.001 1.00 0.00 H new ATOM 0 HA ILE C 42 1.093 -9.632 -7.959 1.00 0.00 H new ATOM 0 HB ILE C 42 1.766 -7.244 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.398 -9.358 -10.864 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.096 -8.744 -9.864 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.423 -7.138 -10.532 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.178 -7.723 -9.030 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.764 -8.872 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.199 -7.518 -12.018 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.559 -6.425 -10.660 1.00 0.00 H new ATOM 0 HD13 ILE C 42 1.881 -7.049 -11.676 1.00 0.00 H new ATOM 1393 N LEU C 43 4.198 -10.435 -8.675 1.00 0.00 N ATOM 1394 CA LEU C 43 5.035 -11.492 -9.212 1.00 0.00 C ATOM 1395 C LEU C 43 4.753 -12.809 -8.503 1.00 0.00 C ATOM 1396 O LEU C 43 4.689 -13.864 -9.135 1.00 0.00 O ATOM 1397 CB LEU C 43 6.509 -11.120 -9.052 1.00 0.00 C ATOM 1398 CG LEU C 43 7.397 -12.302 -9.515 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.565 -11.774 -10.352 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.946 -13.043 -8.289 1.00 0.00 C ATOM 0 H LEU C 43 4.709 -9.671 -8.232 1.00 0.00 H new ATOM 0 HA LEU C 43 4.807 -11.612 -10.271 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.736 -10.230 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.722 -10.878 -8.011 1.00 0.00 H new ATOM 0 HG LEU C 43 6.798 -12.985 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.187 -12.608 -10.676 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.179 -11.249 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.162 -11.088 -9.751 1.00 0.00 H new ATOM 0 HD21 LEU C 43 8.571 -13.874 -8.616 1.00 0.00 H new ATOM 0 HD22 LEU C 43 8.541 -12.357 -7.686 1.00 0.00 H new ATOM 0 HD23 LEU C 43 7.117 -13.425 -7.693 1.00 0.00 H new ATOM 1653 N VAL D 28 2.558 11.673 7.262 1.00 0.00 N ATOM 1654 CA VAL D 28 3.745 11.058 7.846 1.00 0.00 C ATOM 1655 C VAL D 28 3.424 9.659 8.358 1.00 0.00 C ATOM 1656 O VAL D 28 4.221 8.732 8.207 1.00 0.00 O ATOM 1657 CB VAL D 28 4.277 11.919 8.992 1.00 0.00 C ATOM 1658 CG1 VAL D 28 4.822 13.236 8.431 1.00 0.00 C ATOM 1659 CG2 VAL D 28 3.144 12.218 9.973 1.00 0.00 C ATOM 0 HA VAL D 28 4.509 10.983 7.072 1.00 0.00 H new ATOM 0 HB VAL D 28 5.075 11.384 9.507 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.201 13.850 9.248 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.629 13.026 7.729 1.00 0.00 H new ATOM 0 HG13 VAL D 28 4.024 13.770 7.916 1.00 0.00 H new ATOM 0 HG21 VAL D 28 3.523 12.832 10.790 1.00 0.00 H new ATOM 0 HG22 VAL D 28 2.347 12.753 9.456 1.00 0.00 H new ATOM 0 HG23 VAL D 28 2.753 11.283 10.373 1.00 0.00 H new ATOM 1669 N ALA D 29 2.255 9.515 8.969 1.00 0.00 N ATOM 1670 CA ALA D 29 1.834 8.225 9.504 1.00 0.00 C ATOM 1671 C ALA D 29 1.631 7.220 8.375 1.00 0.00 C ATOM 1672 O ALA D 29 1.954 6.044 8.512 1.00 0.00 O ATOM 1673 CB ALA D 29 0.531 8.382 10.292 1.00 0.00 C ATOM 0 H ALA D 29 1.584 10.271 9.106 1.00 0.00 H new ATOM 0 HA ALA D 29 2.615 7.857 10.169 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.226 7.413 10.687 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.686 9.078 11.117 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.248 8.767 9.634 1.00 0.00 H new ATOM 1679 N ALA D 30 1.090 7.696 7.257 1.00 0.00 N ATOM 1680 CA ALA D 30 0.844 6.826 6.113 1.00 0.00 C ATOM 1681 C ALA D 30 2.138 6.168 5.653 1.00 0.00 C ATOM 1682 O ALA D 30 2.173 4.964 5.386 1.00 0.00 O ATOM 1683 CB ALA D 30 0.248 7.639 4.961 1.00 0.00 C ATOM 0 H ALA D 30 0.816 8.669 7.120 1.00 0.00 H new ATOM 0 HA ALA D 30 0.141 6.049 6.415 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.066 6.984 4.109 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.693 8.088 5.281 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.945 8.425 4.672 1.00 0.00 H new ATOM 1689 N ASN D 31 3.202 6.960 5.563 1.00 0.00 N ATOM 1690 CA ASN D 31 4.495 6.435 5.133 1.00 0.00 C ATOM 1691 C ASN D 31 5.007 5.395 6.126 1.00 0.00 C ATOM 1692 O ASN D 31 5.504 4.339 5.733 1.00 0.00 O ATOM 1693 CB ASN D 31 5.508 7.578 5.021 1.00 0.00 C ATOM 1694 CG ASN D 31 5.222 8.406 3.775 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.518 7.951 2.873 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.726 9.605 3.669 1.00 0.00 N ATOM 0 H ASN D 31 3.197 7.957 5.779 1.00 0.00 H new ATOM 0 HA ASN D 31 4.371 5.961 4.159 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.456 8.210 5.908 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.520 7.175 4.976 1.00 0.00 H new ATOM 0 HD21 ASN D 31 5.537 10.166 2.838 1.00 0.00 H new ATOM 0 HD22 ASN D 31 6.309 9.981 4.417 1.00 0.00 H new ATOM 1703 N ILE D 32 4.882 5.698 7.413 1.00 0.00 N ATOM 1704 CA ILE D 32 5.333 4.781 8.453 1.00 0.00 C ATOM 1705 C ILE D 32 4.514 3.494 8.421 1.00 0.00 C ATOM 1706 O ILE D 32 5.059 2.394 8.523 1.00 0.00 O ATOM 1707 CB ILE D 32 5.201 5.441 9.827 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.195 6.602 9.930 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.506 4.414 10.920 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.874 7.438 11.171 1.00 0.00 C ATOM 0 H ILE D 32 4.475 6.566 7.760 1.00 0.00 H new ATOM 0 HA ILE D 32 6.379 4.538 8.269 1.00 0.00 H new ATOM 0 HB ILE D 32 4.185 5.815 9.954 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.214 6.219 9.990 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.140 7.223 9.036 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.412 4.885 11.898 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.802 3.585 10.847 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.522 4.039 10.794 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.581 8.265 11.246 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.861 7.833 11.092 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.951 6.813 12.061 1.00 0.00 H new ATOM 1722 N ILE D 33 3.200 3.639 8.286 1.00 0.00 N ATOM 1723 CA ILE D 33 2.313 2.482 8.248 1.00 0.00 C ATOM 1724 C ILE D 33 2.619 1.616 7.030 1.00 0.00 C ATOM 1725 O ILE D 33 2.665 0.389 7.127 1.00 0.00 O ATOM 1726 CB ILE D 33 0.853 2.943 8.206 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.479 3.579 9.546 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.057 1.744 7.941 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.850 4.324 9.404 1.00 0.00 C ATOM 0 H ILE D 33 2.728 4.539 8.202 1.00 0.00 H new ATOM 0 HA ILE D 33 2.476 1.889 9.148 1.00 0.00 H new ATOM 0 HB ILE D 33 0.729 3.675 7.408 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.397 2.811 10.315 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.262 4.267 9.865 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.095 2.075 7.912 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.207 1.291 6.985 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.068 1.010 8.737 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.117 4.777 10.359 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.752 5.103 8.648 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.630 3.624 9.105 1.00 0.00 H new ATOM 1741 N GLY D 34 2.816 2.260 5.886 1.00 0.00 N ATOM 1742 CA GLY D 34 3.103 1.534 4.655 1.00 0.00 C ATOM 1743 C GLY D 34 4.365 0.690 4.803 1.00 0.00 C ATOM 1744 O GLY D 34 4.383 -0.488 4.443 1.00 0.00 O ATOM 0 H GLY D 34 2.783 3.274 5.785 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.259 0.892 4.401 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.226 2.239 3.833 1.00 0.00 H new ATOM 1748 N ILE D 35 5.414 1.296 5.348 1.00 0.00 N ATOM 1749 CA ILE D 35 6.671 0.588 5.549 1.00 0.00 C ATOM 1750 C ILE D 35 6.485 -0.556 6.541 1.00 0.00 C ATOM 1751 O ILE D 35 7.008 -1.654 6.347 1.00 0.00 O ATOM 1752 CB ILE D 35 7.738 1.555 6.067 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.084 2.567 4.969 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.999 0.774 6.450 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.915 3.705 5.565 1.00 0.00 C ATOM 0 H ILE D 35 5.419 2.268 5.656 1.00 0.00 H new ATOM 0 HA ILE D 35 6.994 0.175 4.594 1.00 0.00 H new ATOM 0 HB ILE D 35 7.355 2.079 6.943 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.640 2.076 4.170 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.171 2.964 4.525 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.757 1.465 6.818 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.757 0.052 7.230 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.382 0.249 5.575 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.161 4.424 4.784 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.343 4.202 6.348 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.835 3.301 5.988 1.00 0.00 H new ATOM 1767 N LEU D 36 5.754 -0.286 7.615 1.00 0.00 N ATOM 1768 CA LEU D 36 5.527 -1.295 8.640 1.00 0.00 C ATOM 1769 C LEU D 36 4.810 -2.506 8.042 1.00 0.00 C ATOM 1770 O LEU D 36 5.120 -3.650 8.367 1.00 0.00 O ATOM 1771 CB LEU D 36 4.679 -0.697 9.779 1.00 0.00 C ATOM 1772 CG LEU D 36 5.070 -1.347 11.111 1.00 0.00 C ATOM 1773 CD1 LEU D 36 4.230 -0.748 12.236 1.00 0.00 C ATOM 1774 CD2 LEU D 36 4.836 -2.861 11.036 1.00 0.00 C ATOM 0 H LEU D 36 5.312 0.615 7.798 1.00 0.00 H new ATOM 0 HA LEU D 36 6.490 -1.617 9.037 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.831 0.381 9.831 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.620 -0.860 9.581 1.00 0.00 H new ATOM 0 HG LEU D 36 6.125 -1.159 11.310 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.508 -1.210 13.183 1.00 0.00 H new ATOM 0 HD12 LEU D 36 4.408 0.326 12.290 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.174 -0.932 12.039 1.00 0.00 H new ATOM 0 HD21 LEU D 36 5.115 -3.320 11.985 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.783 -3.057 10.834 1.00 0.00 H new ATOM 0 HD23 LEU D 36 5.444 -3.284 10.236 1.00 0.00 H new ATOM 1786 N HIS D 37 3.846 -2.240 7.169 1.00 0.00 N ATOM 1787 CA HIS D 37 3.088 -3.313 6.538 1.00 0.00 C ATOM 1788 C HIS D 37 4.015 -4.237 5.760 1.00 0.00 C ATOM 1789 O HIS D 37 3.865 -5.457 5.793 1.00 0.00 O ATOM 1790 CB HIS D 37 2.040 -2.728 5.594 1.00 0.00 C ATOM 1791 CG HIS D 37 1.236 -3.844 4.982 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.130 -3.962 5.168 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.594 -4.902 4.187 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.537 -5.054 4.499 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.473 -5.663 3.882 1.00 0.00 N ATOM 0 H HIS D 37 3.572 -1.300 6.884 1.00 0.00 H new ATOM 0 HA HIS D 37 2.591 -3.888 7.319 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.384 -2.049 6.138 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.525 -2.144 4.812 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.598 -5.112 3.848 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.561 -5.396 4.466 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.432 -6.506 3.309 1.00 0.00 H new ATOM 1803 N LEU D 38 4.971 -3.649 5.057 1.00 0.00 N ATOM 1804 CA LEU D 38 5.910 -4.433 4.268 1.00 0.00 C ATOM 1805 C LEU D 38 6.706 -5.375 5.148 1.00 0.00 C ATOM 1806 O LEU D 38 6.982 -6.500 4.754 1.00 0.00 O ATOM 1807 CB LEU D 38 6.871 -3.495 3.511 1.00 0.00 C ATOM 1808 CG LEU D 38 6.307 -3.181 2.115 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.903 -1.878 1.594 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.666 -4.327 1.149 1.00 0.00 C ATOM 0 H LEU D 38 5.117 -2.640 5.016 1.00 0.00 H new ATOM 0 HA LEU D 38 5.340 -5.027 3.553 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.009 -2.571 4.073 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.852 -3.962 3.420 1.00 0.00 H new ATOM 0 HG LEU D 38 5.224 -3.079 2.182 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.499 -1.663 0.605 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.650 -1.065 2.274 1.00 0.00 H new ATOM 0 HD13 LEU D 38 7.987 -1.974 1.530 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.267 -4.107 0.159 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.750 -4.427 1.090 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.235 -5.259 1.514 1.00 0.00 H new ATOM 1822 N ILE D 39 7.091 -4.899 6.322 1.00 0.00 N ATOM 1823 CA ILE D 39 7.883 -5.713 7.232 1.00 0.00 C ATOM 1824 C ILE D 39 7.108 -6.959 7.645 1.00 0.00 C ATOM 1825 O ILE D 39 7.650 -8.060 7.667 1.00 0.00 O ATOM 1826 CB ILE D 39 8.233 -4.896 8.479 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.185 -3.759 8.092 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.915 -5.798 9.514 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.384 -2.824 9.289 1.00 0.00 C ATOM 0 H ILE D 39 6.871 -3.964 6.665 1.00 0.00 H new ATOM 0 HA ILE D 39 8.797 -6.018 6.722 1.00 0.00 H new ATOM 0 HB ILE D 39 7.320 -4.482 8.906 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.144 -4.167 7.773 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.779 -3.203 7.247 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.162 -5.213 10.400 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.241 -6.608 9.791 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.828 -6.215 9.088 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.061 -2.016 9.011 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.423 -2.405 9.587 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.810 -3.384 10.122 1.00 0.00 H new ATOM 1841 N LEU D 40 5.838 -6.781 7.981 1.00 0.00 N ATOM 1842 CA LEU D 40 5.004 -7.901 8.390 1.00 0.00 C ATOM 1843 C LEU D 40 4.616 -8.758 7.192 1.00 0.00 C ATOM 1844 O LEU D 40 4.627 -9.988 7.264 1.00 0.00 O ATOM 1845 CB LEU D 40 3.739 -7.383 9.080 1.00 0.00 C ATOM 1846 CG LEU D 40 4.120 -6.709 10.404 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.900 -5.976 10.970 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.606 -7.764 11.416 1.00 0.00 C ATOM 0 H LEU D 40 5.365 -5.877 7.979 1.00 0.00 H new ATOM 0 HA LEU D 40 5.576 -8.516 9.085 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.223 -6.673 8.433 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.049 -8.206 9.264 1.00 0.00 H new ATOM 0 HG LEU D 40 4.925 -5.996 10.224 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.168 -5.496 11.911 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.568 -5.220 10.259 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.095 -6.690 11.143 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.874 -7.274 12.352 1.00 0.00 H new ATOM 0 HD22 LEU D 40 3.810 -8.486 11.599 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.478 -8.279 11.014 1.00 0.00 H new ATOM 1860 N TRP D 41 4.252 -8.097 6.099 1.00 0.00 N ATOM 1861 CA TRP D 41 3.841 -8.808 4.898 1.00 0.00 C ATOM 1862 C TRP D 41 5.002 -9.594 4.299 1.00 0.00 C ATOM 1863 O TRP D 41 4.855 -10.763 3.935 1.00 0.00 O ATOM 1864 CB TRP D 41 3.289 -7.814 3.867 1.00 0.00 C ATOM 1865 CG TRP D 41 3.084 -8.516 2.560 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.996 -9.253 2.238 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.952 -8.537 1.393 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.156 -9.746 0.957 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.342 -9.322 0.392 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.200 -7.954 1.109 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.950 -9.527 -0.843 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.811 -8.157 -0.140 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.185 -8.939 -1.112 1.00 0.00 C ATOM 0 H TRP D 41 4.233 -7.080 6.021 1.00 0.00 H new ATOM 0 HA TRP D 41 3.059 -9.517 5.171 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.347 -7.394 4.219 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.981 -6.982 3.741 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.143 -9.427 2.877 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.481 -10.349 0.487 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.691 -7.347 1.855 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.467 -10.139 -1.590 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.770 -7.706 -0.349 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.657 -9.088 -2.072 1.00 0.00 H new ATOM 1884 N ILE D 42 6.146 -8.938 4.183 1.00 0.00 N ATOM 1885 CA ILE D 42 7.321 -9.576 3.610 1.00 0.00 C ATOM 1886 C ILE D 42 7.827 -10.680 4.530 1.00 0.00 C ATOM 1887 O ILE D 42 8.273 -11.733 4.072 1.00 0.00 O ATOM 1888 CB ILE D 42 8.424 -8.535 3.387 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.470 -9.098 2.421 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.101 -8.198 4.725 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.498 -8.015 2.094 1.00 0.00 C ATOM 0 H ILE D 42 6.286 -7.971 4.476 1.00 0.00 H new ATOM 0 HA ILE D 42 7.047 -10.018 2.652 1.00 0.00 H new ATOM 0 HB ILE D 42 7.983 -7.631 2.966 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.965 -9.961 2.867 1.00 0.00 H new ATOM 0 HG13 ILE D 42 8.987 -9.444 1.507 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.884 -7.458 4.560 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.361 -7.795 5.416 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.539 -9.102 5.149 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.243 -8.416 1.406 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.996 -7.165 1.631 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.989 -7.690 3.011 1.00 0.00 H new ATOM 1903 N LEU D 43 7.769 -10.426 5.832 1.00 0.00 N ATOM 1904 CA LEU D 43 8.233 -11.396 6.807 1.00 0.00 C ATOM 1905 C LEU D 43 7.406 -12.673 6.726 1.00 0.00 C ATOM 1906 O LEU D 43 7.942 -13.778 6.805 1.00 0.00 O ATOM 1907 CB LEU D 43 8.136 -10.806 8.214 1.00 0.00 C ATOM 1908 CG LEU D 43 8.517 -11.883 9.258 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.425 -11.271 10.328 1.00 0.00 C ATOM 1910 CD2 LEU D 43 7.246 -12.428 9.923 1.00 0.00 C ATOM 0 H LEU D 43 7.407 -9.560 6.232 1.00 0.00 H new ATOM 0 HA LEU D 43 9.273 -11.639 6.588 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.800 -9.946 8.305 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.123 -10.448 8.400 1.00 0.00 H new ATOM 0 HG LEU D 43 9.044 -12.694 8.757 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.690 -12.034 11.060 1.00 0.00 H new ATOM 0 HD12 LEU D 43 10.331 -10.887 9.860 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.901 -10.456 10.827 1.00 0.00 H new ATOM 0 HD21 LEU D 43 7.516 -13.186 10.658 1.00 0.00 H new ATOM 0 HD22 LEU D 43 6.717 -11.614 10.419 1.00 0.00 H new ATOM 0 HD23 LEU D 43 6.600 -12.871 9.165 1.00 0.00 H new