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= -0.531 K(o=-0.53,f=-3.4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -0.806 K(o=-0.81,f=-3.8!) USER MOD Single : B 37 HIS : no HD1:sc= -9.6! C(o=-9.6!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -0.594 K(o=-0.59,f=-3.6!) USER MOD Single : C 37 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.749 K(o=-0.75,f=-3.8!) USER MOD Single : D 37 HIS : no HD1:sc= -9.53! C(o=-9.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.779 12.422 0.862 1.00 0.00 N ATOM 124 CA VAL A 28 -6.460 12.058 2.099 1.00 0.00 C ATOM 125 C VAL A 28 -7.153 10.707 1.949 1.00 0.00 C ATOM 126 O VAL A 28 -7.072 9.856 2.835 1.00 0.00 O ATOM 127 CB VAL A 28 -7.492 13.130 2.460 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.299 12.680 3.680 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.773 14.442 2.782 1.00 0.00 C ATOM 0 HA VAL A 28 -5.719 11.986 2.895 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.166 13.280 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.032 13.446 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.813 11.746 3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.627 12.527 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.507 15.206 3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.098 14.290 3.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.201 14.766 1.913 1.00 0.00 H new ATOM 139 N ALA A 29 -7.835 10.518 0.825 1.00 0.00 N ATOM 140 CA ALA A 29 -8.538 9.266 0.576 1.00 0.00 C ATOM 141 C ALA A 29 -7.555 8.101 0.534 1.00 0.00 C ATOM 142 O ALA A 29 -7.856 7.008 1.006 1.00 0.00 O ATOM 143 CB ALA A 29 -9.295 9.343 -0.754 1.00 0.00 C ATOM 0 H ALA A 29 -7.916 11.209 0.079 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.247 9.103 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.817 8.402 -0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.018 10.157 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.589 9.524 -1.565 1.00 0.00 H new ATOM 149 N ALA A 30 -6.381 8.343 -0.036 1.00 0.00 N ATOM 150 CA ALA A 30 -5.369 7.301 -0.135 1.00 0.00 C ATOM 151 C ALA A 30 -4.972 6.802 1.251 1.00 0.00 C ATOM 152 O ALA A 30 -4.801 5.602 1.461 1.00 0.00 O ATOM 153 CB ALA A 30 -4.134 7.841 -0.856 1.00 0.00 C ATOM 0 H ALA A 30 -6.109 9.242 -0.433 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.787 6.469 -0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.381 7.056 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.412 8.168 -1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.727 8.685 -0.299 1.00 0.00 H new ATOM 159 N ASN A 31 -4.828 7.729 2.194 1.00 0.00 N ATOM 160 CA ASN A 31 -4.450 7.357 3.554 1.00 0.00 C ATOM 161 C ASN A 31 -5.532 6.495 4.197 1.00 0.00 C ATOM 162 O ASN A 31 -5.236 5.498 4.855 1.00 0.00 O ATOM 163 CB ASN A 31 -4.234 8.616 4.395 1.00 0.00 C ATOM 164 CG ASN A 31 -2.966 9.334 3.947 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.133 8.751 3.255 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.769 10.574 4.307 1.00 0.00 N ATOM 0 H ASN A 31 -4.965 8.729 2.045 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.525 6.783 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.092 9.281 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.157 8.350 5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.922 11.062 4.014 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.462 11.055 4.881 1.00 0.00 H new ATOM 173 N ILE A 32 -6.790 6.887 4.004 1.00 0.00 N ATOM 174 CA ILE A 32 -7.910 6.141 4.571 1.00 0.00 C ATOM 175 C ILE A 32 -8.003 4.754 3.941 1.00 0.00 C ATOM 176 O ILE A 32 -8.216 3.758 4.632 1.00 0.00 O ATOM 177 CB ILE A 32 -9.217 6.909 4.344 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.193 8.198 5.170 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.404 6.048 4.788 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.354 9.098 4.744 1.00 0.00 C ATOM 0 H ILE A 32 -7.057 7.710 3.464 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.745 6.025 5.642 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.318 7.148 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.271 7.964 6.232 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.245 8.717 5.027 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.332 6.596 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.421 5.125 4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.304 5.809 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.337 10.016 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.256 9.343 3.686 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.297 8.578 4.910 1.00 0.00 H new ATOM 192 N ILE A 33 -7.847 4.702 2.622 1.00 0.00 N ATOM 193 CA ILE A 33 -7.921 3.437 1.898 1.00 0.00 C ATOM 194 C ILE A 33 -6.798 2.500 2.339 1.00 0.00 C ATOM 195 O ILE A 33 -7.023 1.308 2.548 1.00 0.00 O ATOM 196 CB ILE A 33 -7.825 3.701 0.391 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.087 4.432 -0.078 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.704 2.374 -0.362 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.850 5.004 -1.476 1.00 0.00 C ATOM 0 H ILE A 33 -7.669 5.517 2.035 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.875 2.959 2.121 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.946 4.313 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.934 3.746 -0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.337 5.233 0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.636 2.568 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.808 1.848 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.581 1.759 -0.160 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.746 5.525 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.014 5.703 -1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.621 4.193 -2.167 1.00 0.00 H new ATOM 211 N GLY A 34 -5.593 3.041 2.477 1.00 0.00 N ATOM 212 CA GLY A 34 -4.452 2.232 2.890 1.00 0.00 C ATOM 213 C GLY A 34 -4.688 1.625 4.270 1.00 0.00 C ATOM 214 O GLY A 34 -4.428 0.442 4.491 1.00 0.00 O ATOM 0 H GLY A 34 -5.382 4.025 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.282 1.438 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.552 2.847 2.907 1.00 0.00 H new ATOM 218 N ILE A 35 -5.186 2.442 5.193 1.00 0.00 N ATOM 219 CA ILE A 35 -5.458 1.972 6.548 1.00 0.00 C ATOM 220 C ILE A 35 -6.549 0.901 6.529 1.00 0.00 C ATOM 221 O ILE A 35 -6.447 -0.117 7.212 1.00 0.00 O ATOM 222 CB ILE A 35 -5.884 3.147 7.438 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.694 4.092 7.633 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.339 2.618 8.801 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.167 5.392 8.289 1.00 0.00 C ATOM 0 H ILE A 35 -5.408 3.424 5.030 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.547 1.534 6.956 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.706 3.683 6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.937 3.615 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.228 4.308 6.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.641 3.453 9.433 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.183 1.941 8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.517 2.083 9.276 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.317 6.061 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.908 5.873 7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.613 5.169 9.258 1.00 0.00 H new ATOM 237 N LEU A 36 -7.593 1.142 5.741 1.00 0.00 N ATOM 238 CA LEU A 36 -8.698 0.194 5.640 1.00 0.00 C ATOM 239 C LEU A 36 -8.202 -1.142 5.104 1.00 0.00 C ATOM 240 O LEU A 36 -8.624 -2.202 5.568 1.00 0.00 O ATOM 241 CB LEU A 36 -9.791 0.751 4.718 1.00 0.00 C ATOM 242 CG LEU A 36 -10.917 -0.279 4.530 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.485 -0.705 5.892 1.00 0.00 C ATOM 244 CD2 LEU A 36 -12.029 0.354 3.687 1.00 0.00 C ATOM 0 H LEU A 36 -7.697 1.979 5.167 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.116 0.042 6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.198 1.670 5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.361 1.009 3.750 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.519 -1.161 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.281 -1.434 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.693 -1.151 6.493 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.885 0.168 6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.834 -0.367 3.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.416 1.235 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.629 0.645 2.716 1.00 0.00 H new ATOM 256 N HIS A 37 -7.304 -1.085 4.130 1.00 0.00 N ATOM 257 CA HIS A 37 -6.765 -2.302 3.547 1.00 0.00 C ATOM 258 C HIS A 37 -6.102 -3.147 4.626 1.00 0.00 C ATOM 259 O HIS A 37 -6.249 -4.368 4.647 1.00 0.00 O ATOM 260 CB HIS A 37 -5.734 -1.963 2.471 1.00 0.00 C ATOM 261 CG HIS A 37 -5.226 -3.241 1.865 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.416 -3.558 0.532 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.551 -4.307 2.407 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.870 -4.767 0.321 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.328 -5.267 1.429 1.00 0.00 N ATOM 0 H HIS A 37 -6.938 -0.220 3.732 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.585 -2.861 3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.184 -1.334 1.703 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.909 -1.397 2.904 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.240 -4.387 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.871 -5.273 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.852 -6.162 1.537 1.00 0.00 H new ATOM 273 N LEU A 38 -5.370 -2.491 5.519 1.00 0.00 N ATOM 274 CA LEU A 38 -4.684 -3.200 6.593 1.00 0.00 C ATOM 275 C LEU A 38 -5.677 -3.929 7.490 1.00 0.00 C ATOM 276 O LEU A 38 -5.420 -5.047 7.920 1.00 0.00 O ATOM 277 CB LEU A 38 -3.838 -2.213 7.429 1.00 0.00 C ATOM 278 CG LEU A 38 -2.420 -2.083 6.832 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.777 -0.771 7.289 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.538 -3.256 7.297 1.00 0.00 C ATOM 0 H LEU A 38 -5.237 -1.480 5.522 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.025 -3.942 6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.322 -1.236 7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.775 -2.560 8.460 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.502 -2.095 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.777 -0.688 6.863 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.385 0.069 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.710 -0.758 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.541 -3.153 6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.469 -3.250 8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.979 -4.196 6.966 1.00 0.00 H new ATOM 292 N ILE A 39 -6.805 -3.307 7.781 1.00 0.00 N ATOM 293 CA ILE A 39 -7.781 -3.952 8.644 1.00 0.00 C ATOM 294 C ILE A 39 -8.219 -5.289 8.050 1.00 0.00 C ATOM 295 O ILE A 39 -8.193 -6.315 8.727 1.00 0.00 O ATOM 296 CB ILE A 39 -8.995 -3.038 8.819 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.534 -1.700 9.407 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.006 -3.692 9.763 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.698 -0.706 9.426 1.00 0.00 C ATOM 0 H ILE A 39 -7.065 -2.380 7.444 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.323 -4.137 9.616 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.469 -2.872 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.156 -1.849 10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.712 -1.298 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.868 -3.036 9.884 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.330 -4.645 9.345 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.540 -3.861 10.734 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.360 0.242 9.846 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.056 -0.546 8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.508 -1.105 10.037 1.00 0.00 H new ATOM 311 N LEU A 40 -8.607 -5.274 6.779 1.00 0.00 N ATOM 312 CA LEU A 40 -9.039 -6.499 6.113 1.00 0.00 C ATOM 313 C LEU A 40 -7.871 -7.474 5.916 1.00 0.00 C ATOM 314 O LEU A 40 -8.015 -8.674 6.146 1.00 0.00 O ATOM 315 CB LEU A 40 -9.669 -6.153 4.755 1.00 0.00 C ATOM 316 CG LEU A 40 -11.113 -5.654 4.955 1.00 0.00 C ATOM 317 CD1 LEU A 40 -12.034 -6.804 5.422 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.117 -4.527 6.000 1.00 0.00 C ATOM 0 H LEU A 40 -8.632 -4.438 6.195 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.778 -6.988 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.077 -5.387 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.665 -7.031 4.109 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.491 -5.280 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.048 -6.427 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.037 -7.595 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.667 -7.203 6.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.136 -4.170 6.146 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.726 -4.905 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.491 -3.706 5.652 1.00 0.00 H new ATOM 330 N TRP A 41 -6.725 -6.954 5.481 1.00 0.00 N ATOM 331 CA TRP A 41 -5.554 -7.795 5.248 1.00 0.00 C ATOM 332 C TRP A 41 -5.045 -8.397 6.556 1.00 0.00 C ATOM 333 O TRP A 41 -4.605 -9.545 6.588 1.00 0.00 O ATOM 334 CB TRP A 41 -4.454 -6.997 4.543 1.00 0.00 C ATOM 335 CG TRP A 41 -3.209 -7.826 4.427 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.953 -8.726 3.450 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.030 -7.804 5.275 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.706 -9.284 3.671 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.096 -8.739 4.780 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.692 -7.071 6.420 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.132 -8.937 5.402 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.452 -7.264 7.045 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.456 -8.195 6.536 1.00 0.00 C ATOM 0 H TRP A 41 -6.583 -5.963 5.284 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.847 -8.619 4.597 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.792 -6.694 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.242 -6.085 5.100 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.614 -8.969 2.631 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.290 -10.009 3.086 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.391 -6.353 6.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.830 -9.661 5.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.198 -6.690 7.924 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.410 -8.340 7.022 1.00 0.00 H new ATOM 354 N ILE A 42 -5.108 -7.619 7.631 1.00 0.00 N ATOM 355 CA ILE A 42 -4.651 -8.100 8.930 1.00 0.00 C ATOM 356 C ILE A 42 -5.474 -9.312 9.356 1.00 0.00 C ATOM 357 O ILE A 42 -4.921 -10.297 9.827 1.00 0.00 O ATOM 358 CB ILE A 42 -4.782 -6.978 9.986 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.613 -5.990 9.843 1.00 0.00 C ATOM 360 CG2 ILE A 42 -4.771 -7.571 11.407 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.962 -4.673 10.543 1.00 0.00 C ATOM 0 H ILE A 42 -5.466 -6.664 7.630 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.604 -8.392 8.850 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.727 -6.459 9.823 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.709 -6.416 10.278 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.404 -5.809 8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.864 -6.767 12.137 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.606 -8.262 11.519 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.835 -8.104 11.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.131 -3.975 10.440 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.855 -4.244 10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.149 -4.861 11.600 1.00 0.00 H new ATOM 373 N LEU A 43 -6.790 -9.229 9.194 1.00 0.00 N ATOM 374 CA LEU A 43 -7.668 -10.329 9.588 1.00 0.00 C ATOM 375 C LEU A 43 -7.326 -11.598 8.811 1.00 0.00 C ATOM 376 O LEU A 43 -7.290 -12.689 9.379 1.00 0.00 O ATOM 377 CB LEU A 43 -9.125 -9.941 9.322 1.00 0.00 C ATOM 378 CG LEU A 43 -9.556 -8.813 10.276 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.879 -8.219 9.784 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.736 -9.349 11.711 1.00 0.00 C ATOM 0 H LEU A 43 -7.270 -8.421 8.797 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.526 -10.524 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.240 -9.616 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.771 -10.809 9.457 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.781 -8.047 10.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.191 -7.419 10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.747 -7.818 8.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.643 -8.996 9.767 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.041 -8.534 12.368 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.501 -10.125 11.716 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.793 -9.767 12.064 1.00 0.00 H new ATOM 633 N VAL B 28 0.094 11.515 -7.328 1.00 0.00 N ATOM 634 CA VAL B 28 -1.174 11.166 -7.959 1.00 0.00 C ATOM 635 C VAL B 28 -1.145 9.723 -8.452 1.00 0.00 C ATOM 636 O VAL B 28 -2.099 8.972 -8.257 1.00 0.00 O ATOM 637 CB VAL B 28 -1.449 12.109 -9.132 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.710 11.656 -9.873 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.652 13.531 -8.607 1.00 0.00 C ATOM 0 HA VAL B 28 -1.970 11.268 -7.221 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.601 12.090 -9.816 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.903 12.330 -10.708 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.567 10.643 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.559 11.672 -9.190 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.848 14.203 -9.443 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.499 13.548 -7.921 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.754 13.857 -8.082 1.00 0.00 H new ATOM 649 N ALA B 29 -0.045 9.345 -9.095 1.00 0.00 N ATOM 650 CA ALA B 29 0.092 7.988 -9.613 1.00 0.00 C ATOM 651 C ALA B 29 0.041 6.976 -8.476 1.00 0.00 C ATOM 652 O ALA B 29 -0.527 5.895 -8.622 1.00 0.00 O ATOM 653 CB ALA B 29 1.417 7.844 -10.367 1.00 0.00 C ATOM 0 H ALA B 29 0.757 9.951 -9.269 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.735 7.796 -10.296 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.509 6.828 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.441 8.548 -11.199 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.245 8.054 -9.690 1.00 0.00 H new ATOM 659 N ALA B 30 0.637 7.330 -7.345 1.00 0.00 N ATOM 660 CA ALA B 30 0.653 6.435 -6.195 1.00 0.00 C ATOM 661 C ALA B 30 -0.767 6.119 -5.740 1.00 0.00 C ATOM 662 O ALA B 30 -1.079 4.978 -5.399 1.00 0.00 O ATOM 663 CB ALA B 30 1.428 7.081 -5.045 1.00 0.00 C ATOM 0 H ALA B 30 1.111 8.221 -7.199 1.00 0.00 H new ATOM 0 HA ALA B 30 1.142 5.506 -6.488 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.436 6.407 -4.188 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.452 7.278 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.948 8.019 -4.764 1.00 0.00 H new ATOM 669 N ASN B 31 -1.627 7.133 -5.733 1.00 0.00 N ATOM 670 CA ASN B 31 -3.010 6.937 -5.312 1.00 0.00 C ATOM 671 C ASN B 31 -3.734 5.990 -6.266 1.00 0.00 C ATOM 672 O ASN B 31 -4.471 5.104 -5.835 1.00 0.00 O ATOM 673 CB ASN B 31 -3.740 8.281 -5.282 1.00 0.00 C ATOM 674 CG ASN B 31 -3.219 9.132 -4.127 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.563 8.616 -3.221 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.474 10.411 -4.105 1.00 0.00 N ATOM 0 H ASN B 31 -1.395 8.087 -6.010 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.006 6.499 -4.314 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.593 8.805 -6.226 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.812 8.119 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.130 10.986 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -4.017 10.836 -4.856 1.00 0.00 H new ATOM 683 N ILE B 32 -3.516 6.183 -7.564 1.00 0.00 N ATOM 684 CA ILE B 32 -4.154 5.338 -8.571 1.00 0.00 C ATOM 685 C ILE B 32 -3.645 3.902 -8.465 1.00 0.00 C ATOM 686 O ILE B 32 -4.420 2.949 -8.541 1.00 0.00 O ATOM 687 CB ILE B 32 -3.872 5.890 -9.972 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.583 7.238 -10.135 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.395 4.913 -11.028 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.090 7.925 -11.411 1.00 0.00 C ATOM 0 H ILE B 32 -2.908 6.910 -7.942 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.230 5.340 -8.395 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.797 6.019 -10.100 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.662 7.089 -10.183 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.387 7.871 -9.270 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.192 5.310 -12.023 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.896 3.951 -10.912 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.470 4.782 -10.902 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.596 8.884 -11.527 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -3.014 8.088 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.308 7.293 -12.272 1.00 0.00 H new ATOM 702 N ILE B 33 -2.335 3.760 -8.297 1.00 0.00 N ATOM 703 CA ILE B 33 -1.723 2.440 -8.188 1.00 0.00 C ATOM 704 C ILE B 33 -2.236 1.710 -6.947 1.00 0.00 C ATOM 705 O ILE B 33 -2.547 0.522 -7.003 1.00 0.00 O ATOM 706 CB ILE B 33 -0.198 2.583 -8.121 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.327 3.089 -9.467 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.438 1.225 -7.813 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.773 3.562 -9.300 1.00 0.00 C ATOM 0 H ILE B 33 -1.679 4.538 -8.234 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.993 1.854 -9.067 1.00 0.00 H new ATOM 0 HB ILE B 33 0.060 3.292 -7.334 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.276 2.295 -10.212 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.296 3.907 -9.829 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.522 1.333 -7.767 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.068 0.859 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.177 0.515 -8.598 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.150 3.923 -10.257 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.810 4.368 -8.568 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.390 2.732 -8.957 1.00 0.00 H new ATOM 721 N GLY B 34 -2.317 2.427 -5.832 1.00 0.00 N ATOM 722 CA GLY B 34 -2.790 1.825 -4.591 1.00 0.00 C ATOM 723 C GLY B 34 -4.219 1.312 -4.743 1.00 0.00 C ATOM 724 O GLY B 34 -4.540 0.201 -4.322 1.00 0.00 O ATOM 0 H GLY B 34 -2.065 3.413 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.133 1.003 -4.308 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.747 2.559 -3.787 1.00 0.00 H new ATOM 728 N ILE B 35 -5.072 2.125 -5.360 1.00 0.00 N ATOM 729 CA ILE B 35 -6.462 1.740 -5.570 1.00 0.00 C ATOM 730 C ILE B 35 -6.544 0.529 -6.498 1.00 0.00 C ATOM 731 O ILE B 35 -7.312 -0.405 -6.256 1.00 0.00 O ATOM 732 CB ILE B 35 -7.251 2.914 -6.163 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.357 4.030 -5.121 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.659 2.447 -6.546 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.900 5.302 -5.778 1.00 0.00 C ATOM 0 H ILE B 35 -4.827 3.047 -5.720 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.898 1.472 -4.608 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.737 3.284 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.014 3.720 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.378 4.225 -4.683 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.218 3.283 -6.967 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.589 1.648 -7.285 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.173 2.077 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.974 6.094 -5.032 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.226 5.616 -6.575 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.887 5.103 -6.195 1.00 0.00 H new ATOM 747 N LEU B 36 -5.745 0.551 -7.562 1.00 0.00 N ATOM 748 CA LEU B 36 -5.733 -0.547 -8.520 1.00 0.00 C ATOM 749 C LEU B 36 -5.311 -1.842 -7.838 1.00 0.00 C ATOM 750 O LEU B 36 -5.866 -2.907 -8.109 1.00 0.00 O ATOM 751 CB LEU B 36 -4.774 -0.230 -9.675 1.00 0.00 C ATOM 752 CG LEU B 36 -4.685 -1.422 -10.645 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.082 -1.804 -11.153 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.798 -1.027 -11.830 1.00 0.00 C ATOM 0 H LEU B 36 -5.102 1.312 -7.780 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.740 -0.671 -8.917 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.119 0.656 -10.209 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.784 0.000 -9.281 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.259 -2.280 -10.125 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.002 -2.648 -11.838 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.713 -2.080 -10.308 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.524 -0.955 -11.674 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.726 -1.863 -12.526 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.233 -0.167 -12.340 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.802 -0.769 -11.469 1.00 0.00 H new ATOM 766 N HIS B 37 -4.327 -1.744 -6.954 1.00 0.00 N ATOM 767 CA HIS B 37 -3.846 -2.917 -6.245 1.00 0.00 C ATOM 768 C HIS B 37 -4.989 -3.563 -5.475 1.00 0.00 C ATOM 769 O HIS B 37 -5.116 -4.787 -5.447 1.00 0.00 O ATOM 770 CB HIS B 37 -2.736 -2.530 -5.271 1.00 0.00 C ATOM 771 CG HIS B 37 -2.238 -3.772 -4.586 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.940 -4.230 -4.731 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.863 -4.680 -3.767 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.830 -5.362 -4.018 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.970 -5.680 -3.408 1.00 0.00 N ATOM 0 H HIS B 37 -3.852 -0.874 -6.714 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.451 -3.625 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.921 -2.040 -5.803 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.110 -1.818 -4.536 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.894 -4.624 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.076 -5.946 -3.947 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.148 -6.485 -2.807 1.00 0.00 H new ATOM 783 N LEU B 38 -5.819 -2.737 -4.848 1.00 0.00 N ATOM 784 CA LEU B 38 -6.945 -3.245 -4.073 1.00 0.00 C ATOM 785 C LEU B 38 -7.909 -4.029 -4.960 1.00 0.00 C ATOM 786 O LEU B 38 -8.429 -5.059 -4.549 1.00 0.00 O ATOM 787 CB LEU B 38 -7.690 -2.081 -3.382 1.00 0.00 C ATOM 788 CG LEU B 38 -7.079 -1.801 -1.991 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.416 -0.377 -1.548 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.648 -2.793 -0.959 1.00 0.00 C ATOM 0 H LEU B 38 -5.735 -1.721 -4.860 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.554 -3.919 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.630 -1.185 -4.000 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.747 -2.327 -3.279 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.997 -1.918 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.981 -0.189 -0.566 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.009 0.334 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.498 -0.259 -1.494 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.213 -2.590 0.019 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.731 -2.681 -0.905 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.404 -3.812 -1.260 1.00 0.00 H new ATOM 802 N ILE B 39 -8.154 -3.549 -6.164 1.00 0.00 N ATOM 803 CA ILE B 39 -9.075 -4.250 -7.043 1.00 0.00 C ATOM 804 C ILE B 39 -8.601 -5.681 -7.284 1.00 0.00 C ATOM 805 O ILE B 39 -9.363 -6.633 -7.120 1.00 0.00 O ATOM 806 CB ILE B 39 -9.180 -3.504 -8.377 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.648 -2.070 -8.111 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.184 -4.210 -9.288 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.588 -1.251 -9.404 1.00 0.00 C ATOM 0 H ILE B 39 -7.742 -2.700 -6.550 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.056 -4.286 -6.568 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.206 -3.490 -8.866 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.666 -2.077 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.019 -1.609 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.255 -3.675 -10.235 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.852 -5.232 -9.472 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.162 -4.227 -8.807 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -9.923 -0.233 -9.206 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.563 -1.231 -9.775 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.236 -1.706 -10.153 1.00 0.00 H new ATOM 821 N LEU B 40 -7.337 -5.830 -7.666 1.00 0.00 N ATOM 822 CA LEU B 40 -6.780 -7.156 -7.916 1.00 0.00 C ATOM 823 C LEU B 40 -6.659 -7.970 -6.623 1.00 0.00 C ATOM 824 O LEU B 40 -6.992 -9.155 -6.596 1.00 0.00 O ATOM 825 CB LEU B 40 -5.403 -7.020 -8.581 1.00 0.00 C ATOM 826 CG LEU B 40 -5.569 -6.714 -10.083 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.138 -7.939 -10.835 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.513 -5.512 -10.251 1.00 0.00 C ATOM 0 H LEU B 40 -6.685 -5.059 -7.808 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.460 -7.689 -8.581 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.835 -6.224 -8.100 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.834 -7.941 -8.450 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.592 -6.480 -10.506 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.246 -7.699 -11.893 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.458 -8.783 -10.722 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.112 -8.200 -10.421 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.635 -5.290 -11.311 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.484 -5.748 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.090 -4.644 -9.745 1.00 0.00 H new ATOM 840 N TRP B 41 -6.175 -7.334 -5.560 1.00 0.00 N ATOM 841 CA TRP B 41 -6.006 -8.020 -4.282 1.00 0.00 C ATOM 842 C TRP B 41 -7.358 -8.427 -3.698 1.00 0.00 C ATOM 843 O TRP B 41 -7.484 -9.497 -3.101 1.00 0.00 O ATOM 844 CB TRP B 41 -5.226 -7.137 -3.299 1.00 0.00 C ATOM 845 CG TRP B 41 -5.174 -7.790 -1.950 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.276 -8.727 -1.564 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.008 -7.529 -0.791 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.535 -9.080 -0.252 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.590 -8.360 0.268 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.085 -6.661 -0.565 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.218 -8.327 1.509 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.716 -6.621 0.685 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.282 -7.453 1.718 1.00 0.00 C ATOM 0 H TRP B 41 -5.895 -6.353 -5.557 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.431 -8.930 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.215 -6.971 -3.671 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.701 -6.159 -3.220 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.487 -9.132 -2.180 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.011 -9.785 0.266 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.431 -6.018 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.883 -8.975 2.305 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.541 -5.944 0.850 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.772 -7.419 2.680 1.00 0.00 H new ATOM 864 N ILE B 42 -8.361 -7.577 -3.876 1.00 0.00 N ATOM 865 CA ILE B 42 -9.696 -7.873 -3.361 1.00 0.00 C ATOM 866 C ILE B 42 -10.227 -9.151 -4.006 1.00 0.00 C ATOM 867 O ILE B 42 -10.779 -10.003 -3.322 1.00 0.00 O ATOM 868 CB ILE B 42 -10.651 -6.696 -3.655 1.00 0.00 C ATOM 869 CG1 ILE B 42 -10.415 -5.568 -2.637 1.00 0.00 C ATOM 870 CG2 ILE B 42 -12.118 -7.157 -3.570 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.001 -4.259 -3.172 1.00 0.00 C ATOM 0 H ILE B 42 -8.280 -6.687 -4.367 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.637 -8.016 -2.282 1.00 0.00 H new ATOM 0 HB ILE B 42 -10.451 -6.332 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -10.879 -5.822 -1.684 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -9.347 -5.450 -2.451 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -12.777 -6.314 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -12.294 -7.946 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -12.323 -7.537 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -10.832 -3.462 -2.448 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.517 -4.002 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.072 -4.380 -3.335 1.00 0.00 H new ATOM 883 N LEU B 43 -10.069 -9.268 -5.321 1.00 0.00 N ATOM 884 CA LEU B 43 -10.562 -10.441 -6.036 1.00 0.00 C ATOM 885 C LEU B 43 -9.895 -11.712 -5.516 1.00 0.00 C ATOM 886 O LEU B 43 -10.552 -12.736 -5.335 1.00 0.00 O ATOM 887 CB LEU B 43 -10.275 -10.288 -7.533 1.00 0.00 C ATOM 888 CG LEU B 43 -11.130 -9.154 -8.124 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.597 -8.796 -9.515 1.00 0.00 C ATOM 890 CD2 LEU B 43 -12.607 -9.584 -8.235 1.00 0.00 C ATOM 0 H LEU B 43 -9.608 -8.573 -5.908 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.637 -10.520 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.217 -10.075 -7.688 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.491 -11.223 -8.050 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.070 -8.288 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.199 -7.993 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -9.560 -8.469 -9.434 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.652 -9.671 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.193 -8.767 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -12.684 -10.457 -8.883 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -12.989 -9.833 -7.245 1.00 0.00 H new ATOM 1143 N VAL C 28 8.399 10.686 -1.485 1.00 0.00 N ATOM 1144 CA VAL C 28 8.968 10.105 -2.694 1.00 0.00 C ATOM 1145 C VAL C 28 9.328 8.642 -2.467 1.00 0.00 C ATOM 1146 O VAL C 28 9.046 7.785 -3.302 1.00 0.00 O ATOM 1147 CB VAL C 28 10.218 10.888 -3.110 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.887 10.196 -4.300 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.818 12.310 -3.509 1.00 0.00 C ATOM 0 HA VAL C 28 8.225 10.162 -3.489 1.00 0.00 H new ATOM 0 HB VAL C 28 10.916 10.925 -2.274 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.775 10.755 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.173 9.183 -4.018 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.190 10.157 -5.137 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.706 12.868 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.119 12.270 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.344 12.806 -2.662 1.00 0.00 H new ATOM 1159 N ALA C 29 9.959 8.362 -1.329 1.00 0.00 N ATOM 1160 CA ALA C 29 10.355 6.997 -1.005 1.00 0.00 C ATOM 1161 C ALA C 29 9.130 6.096 -0.905 1.00 0.00 C ATOM 1162 O ALA C 29 9.165 4.937 -1.313 1.00 0.00 O ATOM 1163 CB ALA C 29 11.118 6.972 0.322 1.00 0.00 C ATOM 0 H ALA C 29 10.204 9.056 -0.623 1.00 0.00 H new ATOM 0 HA ALA C 29 11.002 6.628 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.409 5.948 0.555 1.00 0.00 H new ATOM 0 HB2 ALA C 29 12.010 7.593 0.241 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.479 7.357 1.117 1.00 0.00 H new ATOM 1169 N ALA C 30 8.047 6.634 -0.356 1.00 0.00 N ATOM 1170 CA ALA C 30 6.822 5.861 -0.206 1.00 0.00 C ATOM 1171 C ALA C 30 6.310 5.392 -1.563 1.00 0.00 C ATOM 1172 O ALA C 30 5.862 4.256 -1.707 1.00 0.00 O ATOM 1173 CB ALA C 30 5.753 6.712 0.479 1.00 0.00 C ATOM 0 H ALA C 30 7.993 7.592 -0.011 1.00 0.00 H new ATOM 0 HA ALA C 30 7.040 4.986 0.406 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.839 6.129 0.589 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.108 7.019 1.463 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.549 7.596 -0.125 1.00 0.00 H new ATOM 1179 N ASN C 31 6.378 6.272 -2.557 1.00 0.00 N ATOM 1180 CA ASN C 31 5.914 5.923 -3.897 1.00 0.00 C ATOM 1181 C ASN C 31 6.763 4.799 -4.486 1.00 0.00 C ATOM 1182 O ASN C 31 6.238 3.862 -5.087 1.00 0.00 O ATOM 1183 CB ASN C 31 5.990 7.148 -4.810 1.00 0.00 C ATOM 1184 CG ASN C 31 4.928 8.165 -4.409 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.989 7.829 -3.687 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.018 9.393 -4.839 1.00 0.00 N ATOM 0 H ASN C 31 6.744 7.219 -2.464 1.00 0.00 H new ATOM 0 HA ASN C 31 4.881 5.583 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.980 7.599 -4.745 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.844 6.848 -5.848 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.309 10.078 -4.577 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.797 9.668 -5.437 1.00 0.00 H new ATOM 1193 N ILE C 32 8.077 4.899 -4.306 1.00 0.00 N ATOM 1194 CA ILE C 32 8.989 3.884 -4.824 1.00 0.00 C ATOM 1195 C ILE C 32 8.765 2.551 -4.115 1.00 0.00 C ATOM 1196 O ILE C 32 8.737 1.495 -4.749 1.00 0.00 O ATOM 1197 CB ILE C 32 10.440 4.340 -4.633 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.709 5.553 -5.528 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.393 3.205 -5.022 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.050 6.182 -5.149 1.00 0.00 C ATOM 0 H ILE C 32 8.531 5.666 -3.810 1.00 0.00 H new ATOM 0 HA ILE C 32 8.792 3.749 -5.888 1.00 0.00 H new ATOM 0 HB ILE C 32 10.602 4.607 -3.589 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.721 5.250 -6.575 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.908 6.284 -5.417 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.424 3.532 -4.885 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.201 2.337 -4.392 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.233 2.937 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.240 7.045 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.021 6.500 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.846 5.450 -5.283 1.00 0.00 H new ATOM 1212 N ILE C 33 8.610 2.609 -2.797 1.00 0.00 N ATOM 1213 CA ILE C 33 8.395 1.404 -2.003 1.00 0.00 C ATOM 1214 C ILE C 33 7.083 0.730 -2.396 1.00 0.00 C ATOM 1215 O ILE C 33 7.025 -0.493 -2.537 1.00 0.00 O ATOM 1216 CB ILE C 33 8.373 1.767 -0.514 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.773 2.211 -0.078 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.955 0.547 0.312 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.687 2.898 1.286 1.00 0.00 C ATOM 0 H ILE C 33 8.629 3.474 -2.257 1.00 0.00 H new ATOM 0 HA ILE C 33 9.211 0.707 -2.194 1.00 0.00 H new ATOM 0 HB ILE C 33 7.660 2.576 -0.354 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.439 1.350 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.196 2.894 -0.815 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.941 0.811 1.369 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.960 0.224 0.006 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.666 -0.263 0.150 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.682 3.214 1.597 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.035 3.769 1.214 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.282 2.201 2.020 1.00 0.00 H new ATOM 1231 N GLY C 34 6.035 1.526 -2.572 1.00 0.00 N ATOM 1232 CA GLY C 34 4.736 0.980 -2.946 1.00 0.00 C ATOM 1233 C GLY C 34 4.813 0.261 -4.289 1.00 0.00 C ATOM 1234 O GLY C 34 4.285 -0.841 -4.445 1.00 0.00 O ATOM 0 H GLY C 34 6.058 2.540 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.394 0.287 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.002 1.784 -3.001 1.00 0.00 H new ATOM 1238 N ILE C 35 5.479 0.886 -5.253 1.00 0.00 N ATOM 1239 CA ILE C 35 5.625 0.291 -6.577 1.00 0.00 C ATOM 1240 C ILE C 35 6.439 -0.999 -6.492 1.00 0.00 C ATOM 1241 O ILE C 35 6.100 -2.004 -7.119 1.00 0.00 O ATOM 1242 CB ILE C 35 6.306 1.284 -7.529 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.366 2.467 -7.783 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.616 0.591 -8.859 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.122 3.583 -8.508 1.00 0.00 C ATOM 0 H ILE C 35 5.924 1.798 -5.145 1.00 0.00 H new ATOM 0 HA ILE C 35 4.634 0.053 -6.965 1.00 0.00 H new ATOM 0 HB ILE C 35 7.233 1.639 -7.080 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.514 2.144 -8.381 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.970 2.838 -6.838 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.099 1.298 -9.533 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.281 -0.255 -8.682 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.689 0.236 -9.309 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.449 4.422 -8.686 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.960 3.914 -7.894 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.496 3.209 -9.461 1.00 0.00 H new ATOM 1257 N LEU C 36 7.516 -0.964 -5.714 1.00 0.00 N ATOM 1258 CA LEU C 36 8.371 -2.133 -5.554 1.00 0.00 C ATOM 1259 C LEU C 36 7.585 -3.286 -4.948 1.00 0.00 C ATOM 1260 O LEU C 36 7.748 -4.440 -5.347 1.00 0.00 O ATOM 1261 CB LEU C 36 9.571 -1.792 -4.658 1.00 0.00 C ATOM 1262 CG LEU C 36 10.431 -3.043 -4.407 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.876 -3.663 -5.740 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.666 -2.641 -3.596 1.00 0.00 C ATOM 0 H LEU C 36 7.816 -0.143 -5.187 1.00 0.00 H new ATOM 0 HA LEU C 36 8.734 -2.433 -6.537 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.175 -1.017 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.220 -1.389 -3.708 1.00 0.00 H new ATOM 0 HG LEU C 36 9.843 -3.779 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.483 -4.547 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.998 -3.947 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.463 -2.936 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.283 -3.521 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.243 -1.903 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.353 -2.213 -2.644 1.00 0.00 H new ATOM 1276 N HIS C 37 6.734 -2.970 -3.982 1.00 0.00 N ATOM 1277 CA HIS C 37 5.932 -3.994 -3.333 1.00 0.00 C ATOM 1278 C HIS C 37 5.084 -4.721 -4.368 1.00 0.00 C ATOM 1279 O HIS C 37 4.944 -5.943 -4.320 1.00 0.00 O ATOM 1280 CB HIS C 37 5.016 -3.368 -2.283 1.00 0.00 C ATOM 1281 CG HIS C 37 4.230 -4.457 -1.611 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.352 -4.734 -0.261 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.322 -5.366 -2.095 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.542 -5.769 0.015 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.891 -6.192 -1.068 1.00 0.00 N ATOM 0 H HIS C 37 6.583 -2.023 -3.634 1.00 0.00 H new ATOM 0 HA HIS C 37 6.603 -4.701 -2.846 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.605 -2.820 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.342 -2.650 -2.751 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.993 -5.428 -3.122 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.432 -6.206 0.996 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.220 -6.958 -1.128 1.00 0.00 H new ATOM 1293 N LEU C 38 4.516 -3.964 -5.299 1.00 0.00 N ATOM 1294 CA LEU C 38 3.676 -4.555 -6.336 1.00 0.00 C ATOM 1295 C LEU C 38 4.468 -5.543 -7.186 1.00 0.00 C ATOM 1296 O LEU C 38 3.955 -6.594 -7.553 1.00 0.00 O ATOM 1297 CB LEU C 38 3.075 -3.446 -7.232 1.00 0.00 C ATOM 1298 CG LEU C 38 1.729 -2.957 -6.653 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.407 -1.559 -7.186 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.597 -3.918 -7.058 1.00 0.00 C ATOM 0 H LEU C 38 4.619 -2.951 -5.359 1.00 0.00 H new ATOM 0 HA LEU C 38 2.867 -5.098 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.772 -2.611 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.927 -3.827 -8.243 1.00 0.00 H new ATOM 0 HG LEU C 38 1.811 -2.927 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.456 -1.222 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.196 -0.867 -6.892 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.339 -1.591 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.347 -3.563 -6.644 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.525 -3.958 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.810 -4.915 -6.672 1.00 0.00 H new ATOM 1312 N ILE C 39 5.706 -5.214 -7.507 1.00 0.00 N ATOM 1313 CA ILE C 39 6.499 -6.114 -8.326 1.00 0.00 C ATOM 1314 C ILE C 39 6.619 -7.481 -7.653 1.00 0.00 C ATOM 1315 O ILE C 39 6.353 -8.512 -8.274 1.00 0.00 O ATOM 1316 CB ILE C 39 7.891 -5.518 -8.546 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.747 -4.146 -9.211 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.715 -6.442 -9.445 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.110 -3.450 -9.278 1.00 0.00 C ATOM 0 H ILE C 39 6.175 -4.354 -7.223 1.00 0.00 H new ATOM 0 HA ILE C 39 6.004 -6.242 -9.289 1.00 0.00 H new ATOM 0 HB ILE C 39 8.399 -5.412 -7.587 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.338 -4.261 -10.215 1.00 0.00 H new ATOM 0 HG13 ILE C 39 7.043 -3.532 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.705 -6.013 -9.598 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.812 -7.419 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.215 -6.554 -10.407 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.998 -2.475 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.502 -3.320 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.801 -4.059 -9.860 1.00 0.00 H new ATOM 1331 N LEU C 40 7.011 -7.486 -6.385 1.00 0.00 N ATOM 1332 CA LEU C 40 7.152 -8.740 -5.648 1.00 0.00 C ATOM 1333 C LEU C 40 5.793 -9.405 -5.402 1.00 0.00 C ATOM 1334 O LEU C 40 5.653 -10.617 -5.564 1.00 0.00 O ATOM 1335 CB LEU C 40 7.854 -8.473 -4.309 1.00 0.00 C ATOM 1336 CG LEU C 40 9.374 -8.333 -4.528 1.00 0.00 C ATOM 1337 CD1 LEU C 40 10.001 -9.691 -4.923 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.632 -7.298 -5.633 1.00 0.00 C ATOM 0 H LEU C 40 7.235 -6.648 -5.849 1.00 0.00 H new ATOM 0 HA LEU C 40 7.752 -9.422 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.458 -7.564 -3.857 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.652 -9.288 -3.614 1.00 0.00 H new ATOM 0 HG LEU C 40 9.835 -8.004 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.074 -9.567 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.827 -10.417 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.545 -10.047 -5.847 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.705 -7.195 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.158 -7.627 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.216 -6.336 -5.335 1.00 0.00 H new ATOM 1350 N TRP C 41 4.802 -8.611 -5.005 1.00 0.00 N ATOM 1351 CA TRP C 41 3.469 -9.145 -4.732 1.00 0.00 C ATOM 1352 C TRP C 41 2.825 -9.685 -6.008 1.00 0.00 C ATOM 1353 O TRP C 41 2.131 -10.699 -5.978 1.00 0.00 O ATOM 1354 CB TRP C 41 2.587 -8.075 -4.079 1.00 0.00 C ATOM 1355 CG TRP C 41 1.186 -8.585 -3.925 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.734 -9.347 -2.900 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.038 -8.339 -4.779 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.609 -9.610 -3.096 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.083 -9.000 -4.239 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.130 -7.612 -5.964 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.328 -8.942 -4.856 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.385 -7.546 -6.585 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.482 -8.210 -6.032 1.00 0.00 C ATOM 0 H TRP C 41 4.894 -7.605 -4.866 1.00 0.00 H new ATOM 0 HA TRP C 41 3.569 -9.976 -4.034 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.993 -7.804 -3.104 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.588 -7.171 -4.688 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.326 -9.693 -2.066 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.178 -10.183 -2.473 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.713 -7.099 -6.402 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.171 -9.462 -4.426 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.504 -6.979 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.447 -8.156 -6.514 1.00 0.00 H new ATOM 1374 N ILE C 42 3.059 -9.003 -7.123 1.00 0.00 N ATOM 1375 CA ILE C 42 2.494 -9.436 -8.396 1.00 0.00 C ATOM 1376 C ILE C 42 3.009 -10.829 -8.749 1.00 0.00 C ATOM 1377 O ILE C 42 2.241 -11.683 -9.167 1.00 0.00 O ATOM 1378 CB ILE C 42 2.873 -8.436 -9.513 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.966 -7.197 -9.431 1.00 0.00 C ATOM 1380 CG2 ILE C 42 2.716 -9.088 -10.899 1.00 0.00 C ATOM 1381 CD1 ILE C 42 2.605 -6.038 -10.201 1.00 0.00 C ATOM 0 H ILE C 42 3.629 -8.158 -7.173 1.00 0.00 H new ATOM 0 HA ILE C 42 1.408 -9.471 -8.306 1.00 0.00 H new ATOM 0 HB ILE C 42 3.914 -8.142 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE C 42 0.984 -7.425 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.814 -6.914 -8.389 1.00 0.00 H new ATOM 0 HG21 ILE C 42 2.987 -8.369 -11.672 1.00 0.00 H new ATOM 0 HG22 ILE C 42 3.369 -9.958 -10.968 1.00 0.00 H new ATOM 0 HG23 ILE C 42 1.681 -9.399 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE C 42 1.960 -5.162 -10.141 1.00 0.00 H new ATOM 0 HD12 ILE C 42 3.577 -5.804 -9.766 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.734 -6.322 -11.245 1.00 0.00 H new ATOM 1393 N LEU C 43 4.310 -11.043 -8.584 1.00 0.00 N ATOM 1394 CA LEU C 43 4.908 -12.336 -8.911 1.00 0.00 C ATOM 1395 C LEU C 43 4.287 -13.447 -8.066 1.00 0.00 C ATOM 1396 O LEU C 43 3.995 -14.530 -8.572 1.00 0.00 O ATOM 1397 CB LEU C 43 6.418 -12.284 -8.659 1.00 0.00 C ATOM 1398 CG LEU C 43 7.090 -11.341 -9.673 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.518 -11.042 -9.207 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.129 -11.982 -11.075 1.00 0.00 C ATOM 0 H LEU C 43 4.966 -10.347 -8.230 1.00 0.00 H new ATOM 0 HA LEU C 43 4.718 -12.550 -9.963 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.614 -11.938 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.843 -13.284 -8.743 1.00 0.00 H new ATOM 0 HG LEU C 43 6.513 -10.418 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.001 -10.374 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.489 -10.566 -8.227 1.00 0.00 H new ATOM 0 HD13 LEU C 43 9.082 -11.973 -9.142 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.608 -11.297 -11.775 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.694 -12.913 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU C 43 6.112 -12.189 -11.409 1.00 0.00 H new ATOM 1653 N VAL D 28 2.556 11.620 6.714 1.00 0.00 N ATOM 1654 CA VAL D 28 3.710 11.020 7.373 1.00 0.00 C ATOM 1655 C VAL D 28 3.348 9.653 7.946 1.00 0.00 C ATOM 1656 O VAL D 28 4.099 8.690 7.800 1.00 0.00 O ATOM 1657 CB VAL D 28 4.204 11.936 8.498 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.328 11.242 9.273 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.731 13.241 7.896 1.00 0.00 C ATOM 0 HA VAL D 28 4.502 10.893 6.635 1.00 0.00 H new ATOM 0 HB VAL D 28 3.379 12.153 9.176 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.677 11.896 10.072 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.954 10.313 9.702 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.154 11.023 8.597 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.083 13.894 8.695 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.555 13.022 7.217 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.931 13.738 7.347 1.00 0.00 H new ATOM 1669 N ALA D 29 2.193 9.577 8.600 1.00 0.00 N ATOM 1670 CA ALA D 29 1.745 8.323 9.190 1.00 0.00 C ATOM 1671 C ALA D 29 1.553 7.262 8.111 1.00 0.00 C ATOM 1672 O ALA D 29 1.853 6.090 8.321 1.00 0.00 O ATOM 1673 CB ALA D 29 0.426 8.532 9.940 1.00 0.00 C ATOM 0 H ALA D 29 1.556 10.362 8.733 1.00 0.00 H new ATOM 0 HA ALA D 29 2.509 7.984 9.890 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.102 7.587 10.376 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.570 9.267 10.732 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.334 8.891 9.246 1.00 0.00 H new ATOM 1679 N ALA D 30 1.050 7.685 6.957 1.00 0.00 N ATOM 1680 CA ALA D 30 0.821 6.757 5.858 1.00 0.00 C ATOM 1681 C ALA D 30 2.125 6.093 5.433 1.00 0.00 C ATOM 1682 O ALA D 30 2.159 4.891 5.161 1.00 0.00 O ATOM 1683 CB ALA D 30 0.214 7.500 4.667 1.00 0.00 C ATOM 0 H ALA D 30 0.796 8.653 6.760 1.00 0.00 H new ATOM 0 HA ALA D 30 0.130 5.986 6.198 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.045 6.800 3.849 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.735 7.948 4.963 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.898 8.283 4.339 1.00 0.00 H new ATOM 1689 N ASN D 31 3.198 6.876 5.376 1.00 0.00 N ATOM 1690 CA ASN D 31 4.494 6.339 4.980 1.00 0.00 C ATOM 1691 C ASN D 31 4.981 5.304 5.990 1.00 0.00 C ATOM 1692 O ASN D 31 5.489 4.248 5.614 1.00 0.00 O ATOM 1693 CB ASN D 31 5.517 7.473 4.881 1.00 0.00 C ATOM 1694 CG ASN D 31 5.202 8.357 3.679 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.440 7.960 2.799 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.752 9.537 3.588 1.00 0.00 N ATOM 0 H ASN D 31 3.197 7.872 5.596 1.00 0.00 H new ATOM 0 HA ASN D 31 4.384 5.857 4.009 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.502 8.068 5.794 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.521 7.060 4.786 1.00 0.00 H new ATOM 0 HD21 ASN D 31 5.550 10.133 2.785 1.00 0.00 H new ATOM 0 HD22 ASN D 31 6.383 9.863 4.320 1.00 0.00 H new ATOM 1703 N ILE D 32 4.824 5.614 7.273 1.00 0.00 N ATOM 1704 CA ILE D 32 5.249 4.700 8.332 1.00 0.00 C ATOM 1705 C ILE D 32 4.418 3.420 8.300 1.00 0.00 C ATOM 1706 O ILE D 32 4.950 2.319 8.434 1.00 0.00 O ATOM 1707 CB ILE D 32 5.111 5.381 9.697 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.118 6.532 9.792 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.397 4.367 10.809 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.805 7.384 11.023 1.00 0.00 C ATOM 0 H ILE D 32 4.409 6.484 7.605 1.00 0.00 H new ATOM 0 HA ILE D 32 6.294 4.439 8.167 1.00 0.00 H new ATOM 0 HB ILE D 32 4.098 5.767 9.809 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.132 6.138 9.858 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.072 7.145 8.892 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.298 4.854 11.779 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.686 3.543 10.742 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.410 3.981 10.698 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.521 8.203 11.091 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.797 7.790 10.938 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.873 6.767 11.919 1.00 0.00 H new ATOM 1722 N ILE D 33 3.111 3.579 8.130 1.00 0.00 N ATOM 1723 CA ILE D 33 2.205 2.436 8.090 1.00 0.00 C ATOM 1724 C ILE D 33 2.526 1.540 6.895 1.00 0.00 C ATOM 1725 O ILE D 33 2.552 0.315 7.018 1.00 0.00 O ATOM 1726 CB ILE D 33 0.756 2.927 8.004 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.373 3.613 9.317 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.180 1.742 7.764 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.923 4.401 9.119 1.00 0.00 C ATOM 0 H ILE D 33 2.655 4.485 8.018 1.00 0.00 H new ATOM 0 HA ILE D 33 2.334 1.854 9.002 1.00 0.00 H new ATOM 0 HB ILE D 33 0.665 3.633 7.178 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.243 2.870 10.104 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.172 4.281 9.638 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.209 2.097 7.704 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.089 1.249 6.830 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.088 1.033 8.587 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.198 4.890 10.053 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.776 5.154 8.344 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.720 3.721 8.818 1.00 0.00 H new ATOM 1741 N GLY D 34 2.768 2.151 5.741 1.00 0.00 N ATOM 1742 CA GLY D 34 3.081 1.387 4.537 1.00 0.00 C ATOM 1743 C GLY D 34 4.353 0.564 4.733 1.00 0.00 C ATOM 1744 O GLY D 34 4.402 -0.613 4.375 1.00 0.00 O ATOM 0 H GLY D 34 2.754 3.163 5.613 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.249 0.726 4.293 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.207 2.065 3.693 1.00 0.00 H new ATOM 1748 N ILE D 35 5.376 1.190 5.307 1.00 0.00 N ATOM 1749 CA ILE D 35 6.640 0.502 5.549 1.00 0.00 C ATOM 1750 C ILE D 35 6.439 -0.640 6.544 1.00 0.00 C ATOM 1751 O ILE D 35 6.966 -1.739 6.360 1.00 0.00 O ATOM 1752 CB ILE D 35 7.682 1.490 6.084 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.041 2.493 4.980 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.944 0.730 6.503 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.871 3.636 5.571 1.00 0.00 C ATOM 0 H ILE D 35 5.356 2.163 5.611 1.00 0.00 H new ATOM 0 HA ILE D 35 6.998 0.086 4.607 1.00 0.00 H new ATOM 0 HB ILE D 35 7.273 2.018 6.945 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.602 1.994 4.190 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.133 2.888 4.525 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.684 1.435 6.883 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.694 0.011 7.283 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.354 0.203 5.642 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.124 4.346 4.784 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.294 4.142 6.345 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.786 3.234 6.005 1.00 0.00 H new ATOM 1767 N LEU D 36 5.673 -0.374 7.598 1.00 0.00 N ATOM 1768 CA LEU D 36 5.412 -1.385 8.616 1.00 0.00 C ATOM 1769 C LEU D 36 4.695 -2.579 8.004 1.00 0.00 C ATOM 1770 O LEU D 36 4.987 -3.728 8.337 1.00 0.00 O ATOM 1771 CB LEU D 36 4.558 -0.789 9.745 1.00 0.00 C ATOM 1772 CG LEU D 36 4.196 -1.870 10.777 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.469 -2.540 11.318 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.432 -1.215 11.932 1.00 0.00 C ATOM 0 H LEU D 36 5.225 0.526 7.769 1.00 0.00 H new ATOM 0 HA LEU D 36 6.365 -1.718 9.027 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.103 0.019 10.233 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.648 -0.355 9.330 1.00 0.00 H new ATOM 0 HG LEU D 36 3.577 -2.631 10.301 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.197 -3.303 12.047 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.014 -3.003 10.495 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.100 -1.790 11.795 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.170 -1.972 12.671 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.059 -0.455 12.398 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.523 -0.751 11.550 1.00 0.00 H new ATOM 1786 N HIS D 37 3.757 -2.304 7.107 1.00 0.00 N ATOM 1787 CA HIS D 37 3.011 -3.370 6.462 1.00 0.00 C ATOM 1788 C HIS D 37 3.967 -4.307 5.736 1.00 0.00 C ATOM 1789 O HIS D 37 3.804 -5.526 5.776 1.00 0.00 O ATOM 1790 CB HIS D 37 2.017 -2.790 5.458 1.00 0.00 C ATOM 1791 CG HIS D 37 1.239 -3.917 4.839 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.129 -4.050 4.999 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.629 -4.987 4.076 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.506 -5.162 4.349 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.526 -5.771 3.767 1.00 0.00 N ATOM 0 H HIS D 37 3.498 -1.362 6.814 1.00 0.00 H new ATOM 0 HA HIS D 37 2.467 -3.923 7.227 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.342 -2.094 5.955 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.544 -2.227 4.687 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.642 -5.190 3.762 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.524 -5.520 4.303 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.509 -6.628 3.214 1.00 0.00 H new ATOM 1803 N LEU D 38 4.963 -3.732 5.072 1.00 0.00 N ATOM 1804 CA LEU D 38 5.936 -4.534 4.335 1.00 0.00 C ATOM 1805 C LEU D 38 6.693 -5.470 5.271 1.00 0.00 C ATOM 1806 O LEU D 38 6.958 -6.615 4.922 1.00 0.00 O ATOM 1807 CB LEU D 38 6.929 -3.614 3.587 1.00 0.00 C ATOM 1808 CG LEU D 38 6.394 -3.277 2.178 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.052 -1.998 1.659 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.708 -4.429 1.205 1.00 0.00 C ATOM 0 H LEU D 38 5.119 -2.725 5.028 1.00 0.00 H new ATOM 0 HA LEU D 38 5.395 -5.141 3.608 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.082 -2.696 4.154 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.899 -4.104 3.507 1.00 0.00 H new ATOM 0 HG LEU D 38 5.315 -3.134 2.243 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.668 -1.769 0.665 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.826 -1.173 2.334 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.132 -2.139 1.607 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.327 -4.182 0.214 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.787 -4.577 1.153 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.233 -5.344 1.559 1.00 0.00 H new ATOM 1822 N ILE D 39 7.052 -4.994 6.449 1.00 0.00 N ATOM 1823 CA ILE D 39 7.789 -5.840 7.373 1.00 0.00 C ATOM 1824 C ILE D 39 6.994 -7.106 7.688 1.00 0.00 C ATOM 1825 O ILE D 39 7.513 -8.217 7.583 1.00 0.00 O ATOM 1826 CB ILE D 39 8.070 -5.067 8.663 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.859 -3.799 8.323 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.886 -5.939 9.621 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.001 -2.919 9.570 1.00 0.00 C ATOM 0 H ILE D 39 6.853 -4.051 6.784 1.00 0.00 H new ATOM 0 HA ILE D 39 8.733 -6.129 6.910 1.00 0.00 H new ATOM 0 HB ILE D 39 7.128 -4.798 9.142 1.00 0.00 H new ATOM 0 HG12 ILE D 39 9.845 -4.066 7.942 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.351 -3.246 7.533 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.084 -5.385 10.538 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.325 -6.843 9.857 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.831 -6.211 9.150 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.563 -2.020 9.319 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.012 -2.639 9.932 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.529 -3.472 10.347 1.00 0.00 H new ATOM 1841 N LEU D 40 5.732 -6.934 8.067 1.00 0.00 N ATOM 1842 CA LEU D 40 4.883 -8.078 8.386 1.00 0.00 C ATOM 1843 C LEU D 40 4.567 -8.912 7.138 1.00 0.00 C ATOM 1844 O LEU D 40 4.615 -10.142 7.180 1.00 0.00 O ATOM 1845 CB LEU D 40 3.578 -7.587 9.031 1.00 0.00 C ATOM 1846 CG LEU D 40 3.819 -7.247 10.515 1.00 0.00 C ATOM 1847 CD1 LEU D 40 4.089 -8.526 11.338 1.00 0.00 C ATOM 1848 CD2 LEU D 40 5.017 -6.292 10.625 1.00 0.00 C ATOM 0 H LEU D 40 5.278 -6.025 8.160 1.00 0.00 H new ATOM 0 HA LEU D 40 5.424 -8.716 9.085 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.210 -6.707 8.503 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.809 -8.355 8.945 1.00 0.00 H new ATOM 0 HG LEU D 40 2.925 -6.769 10.916 1.00 0.00 H new ATOM 0 HD11 LEU D 40 4.256 -8.259 12.381 1.00 0.00 H new ATOM 0 HD12 LEU D 40 3.229 -9.193 11.267 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.973 -9.031 10.947 1.00 0.00 H new ATOM 0 HD21 LEU D 40 5.193 -6.048 11.673 1.00 0.00 H new ATOM 0 HD22 LEU D 40 5.904 -6.772 10.211 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.806 -5.378 10.070 1.00 0.00 H new ATOM 1860 N TRP D 41 4.241 -8.239 6.037 1.00 0.00 N ATOM 1861 CA TRP D 41 3.912 -8.939 4.797 1.00 0.00 C ATOM 1862 C TRP D 41 5.127 -9.682 4.248 1.00 0.00 C ATOM 1863 O TRP D 41 4.998 -10.780 3.710 1.00 0.00 O ATOM 1864 CB TRP D 41 3.353 -7.954 3.763 1.00 0.00 C ATOM 1865 CG TRP D 41 3.144 -8.648 2.451 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.050 -9.371 2.111 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.011 -8.656 1.286 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.212 -9.848 0.823 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.402 -9.424 0.271 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.258 -8.075 1.020 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.016 -9.608 -0.965 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.875 -8.253 -0.225 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.253 -9.018 -1.214 1.00 0.00 C ATOM 0 H TRP D 41 4.198 -7.222 5.977 1.00 0.00 H new ATOM 0 HA TRP D 41 3.144 -9.681 5.014 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.410 -7.539 4.118 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.041 -7.119 3.636 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.192 -9.546 2.743 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.535 -10.440 0.341 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.747 -7.485 1.781 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.536 -10.205 -1.726 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.834 -7.797 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.732 -9.152 -2.173 1.00 0.00 H new ATOM 1884 N ILE D 42 6.303 -9.081 4.386 1.00 0.00 N ATOM 1885 CA ILE D 42 7.527 -9.707 3.901 1.00 0.00 C ATOM 1886 C ILE D 42 7.750 -11.036 4.620 1.00 0.00 C ATOM 1887 O ILE D 42 8.083 -12.031 3.989 1.00 0.00 O ATOM 1888 CB ILE D 42 8.733 -8.771 4.138 1.00 0.00 C ATOM 1889 CG1 ILE D 42 8.761 -7.677 3.056 1.00 0.00 C ATOM 1890 CG2 ILE D 42 10.051 -9.566 4.088 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.641 -6.514 3.524 1.00 0.00 C ATOM 0 H ILE D 42 6.435 -8.170 4.825 1.00 0.00 H new ATOM 0 HA ILE D 42 7.430 -9.892 2.831 1.00 0.00 H new ATOM 0 HB ILE D 42 8.630 -8.315 5.123 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.147 -8.085 2.122 1.00 0.00 H new ATOM 0 HG13 ILE D 42 7.750 -7.323 2.856 1.00 0.00 H new ATOM 0 HG21 ILE D 42 10.890 -8.891 4.257 1.00 0.00 H new ATOM 0 HG22 ILE D 42 10.042 -10.334 4.861 1.00 0.00 H new ATOM 0 HG23 ILE D 42 10.155 -10.037 3.110 1.00 0.00 H new ATOM 0 HD11 ILE D 42 9.660 -5.740 2.757 1.00 0.00 H new ATOM 0 HD12 ILE D 42 9.236 -6.100 4.447 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.655 -6.873 3.702 1.00 0.00 H new ATOM 1903 N LEU D 43 7.575 -11.040 5.937 1.00 0.00 N ATOM 1904 CA LEU D 43 7.784 -12.256 6.721 1.00 0.00 C ATOM 1905 C LEU D 43 6.835 -13.360 6.266 1.00 0.00 C ATOM 1906 O LEU D 43 7.235 -14.519 6.147 1.00 0.00 O ATOM 1907 CB LEU D 43 7.548 -11.955 8.204 1.00 0.00 C ATOM 1908 CG LEU D 43 8.646 -11.022 8.737 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.219 -10.472 10.103 1.00 0.00 C ATOM 1910 CD2 LEU D 43 9.983 -11.778 8.884 1.00 0.00 C ATOM 0 H LEU D 43 7.292 -10.225 6.481 1.00 0.00 H new ATOM 0 HA LEU D 43 8.809 -12.596 6.572 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.570 -11.492 8.337 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.541 -12.884 8.775 1.00 0.00 H new ATOM 0 HG LEU D 43 8.786 -10.205 8.030 1.00 0.00 H new ATOM 0 HD11 LEU D 43 8.994 -9.809 10.487 1.00 0.00 H new ATOM 0 HD12 LEU D 43 7.287 -9.917 9.997 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.072 -11.299 10.798 1.00 0.00 H new ATOM 0 HD21 LEU D 43 10.746 -11.098 9.263 1.00 0.00 H new ATOM 0 HD22 LEU D 43 9.858 -12.607 9.581 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.291 -12.164 7.912 1.00 0.00 H new