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 K(o=0,f=-1.1) USER MOD Single : A 37 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 37 HIS : no HD1:sc= -9.94! C(o=-9.9!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : C 37 HIS : no HD1:sc= -9.41! C(o=-9.4!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : D 37 HIS : no HD1:sc= -9.66! C(o=-9.7!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.575 12.348 1.364 1.00 0.00 N ATOM 124 CA VAL A 28 -6.377 11.791 2.448 1.00 0.00 C ATOM 125 C VAL A 28 -6.980 10.455 2.030 1.00 0.00 C ATOM 126 O VAL A 28 -6.969 9.490 2.796 1.00 0.00 O ATOM 127 CB VAL A 28 -7.494 12.768 2.827 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.398 12.128 3.883 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.875 14.046 3.396 1.00 0.00 C ATOM 0 HA VAL A 28 -5.732 11.630 3.312 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.084 13.008 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.192 12.824 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.836 11.215 3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.810 11.889 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.667 14.744 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.287 13.803 4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.229 14.503 2.646 1.00 0.00 H new ATOM 139 N ALA A 29 -7.506 10.405 0.811 1.00 0.00 N ATOM 140 CA ALA A 29 -8.109 9.180 0.300 1.00 0.00 C ATOM 141 C ALA A 29 -7.082 8.052 0.278 1.00 0.00 C ATOM 142 O ALA A 29 -7.421 6.883 0.432 1.00 0.00 O ATOM 143 CB ALA A 29 -8.652 9.411 -1.110 1.00 0.00 C ATOM 0 H ALA A 29 -7.527 11.192 0.163 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.930 8.897 0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.100 8.490 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.406 10.198 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.837 9.710 -1.769 1.00 0.00 H new ATOM 149 N ALA A 30 -5.820 8.407 0.079 1.00 0.00 N ATOM 150 CA ALA A 30 -4.766 7.403 0.050 1.00 0.00 C ATOM 151 C ALA A 30 -4.492 6.874 1.459 1.00 0.00 C ATOM 152 O ALA A 30 -4.269 5.680 1.652 1.00 0.00 O ATOM 153 CB ALA A 30 -3.488 7.998 -0.545 1.00 0.00 C ATOM 0 H ALA A 30 -5.504 9.367 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.095 6.573 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.707 7.238 -0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.684 8.339 -1.561 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.161 8.841 0.064 1.00 0.00 H new ATOM 159 N ASN A 31 -4.497 7.780 2.437 1.00 0.00 N ATOM 160 CA ASN A 31 -4.236 7.402 3.824 1.00 0.00 C ATOM 161 C ASN A 31 -5.363 6.552 4.413 1.00 0.00 C ATOM 162 O ASN A 31 -5.106 5.533 5.052 1.00 0.00 O ATOM 163 CB ASN A 31 -4.056 8.659 4.677 1.00 0.00 C ATOM 164 CG ASN A 31 -3.787 8.269 6.127 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.099 7.283 6.387 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.294 8.989 7.090 1.00 0.00 N ATOM 0 H ASN A 31 -4.678 8.774 2.295 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.325 6.803 3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.228 9.255 4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.950 9.280 4.618 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.120 8.735 8.062 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.864 9.806 6.870 1.00 0.00 H new ATOM 173 N ILE A 32 -6.607 6.976 4.207 1.00 0.00 N ATOM 174 CA ILE A 32 -7.748 6.240 4.742 1.00 0.00 C ATOM 175 C ILE A 32 -7.867 4.871 4.072 1.00 0.00 C ATOM 176 O ILE A 32 -8.101 3.864 4.738 1.00 0.00 O ATOM 177 CB ILE A 32 -9.022 7.057 4.513 1.00 0.00 C ATOM 178 CG1 ILE A 32 -10.184 6.458 5.310 1.00 0.00 C ATOM 179 CG2 ILE A 32 -9.377 7.053 3.026 1.00 0.00 C ATOM 180 CD1 ILE A 32 -11.369 7.428 5.278 1.00 0.00 C ATOM 0 H ILE A 32 -6.849 7.815 3.680 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.604 6.080 5.811 1.00 0.00 H new ATOM 0 HB ILE A 32 -8.847 8.080 4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.474 5.497 4.886 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.878 6.273 6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.284 7.636 2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.559 7.493 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.541 6.028 2.694 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.200 7.006 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.073 8.379 5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.679 7.590 4.246 1.00 0.00 H new ATOM 192 N ILE A 33 -7.692 4.842 2.751 1.00 0.00 N ATOM 193 CA ILE A 33 -7.772 3.589 2.005 1.00 0.00 C ATOM 194 C ILE A 33 -6.653 2.639 2.437 1.00 0.00 C ATOM 195 O ILE A 33 -6.884 1.445 2.629 1.00 0.00 O ATOM 196 CB ILE A 33 -7.679 3.858 0.495 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.956 4.566 0.019 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.530 2.535 -0.263 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.765 5.081 -1.411 1.00 0.00 C ATOM 0 H ILE A 33 -7.496 5.665 2.181 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.733 3.121 2.220 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.811 4.489 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.800 3.877 0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.192 5.396 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.465 2.734 -1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.624 2.026 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.395 1.902 -0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.675 5.582 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.933 5.785 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.551 4.243 -2.074 1.00 0.00 H new ATOM 211 N GLY A 34 -5.445 3.174 2.583 1.00 0.00 N ATOM 212 CA GLY A 34 -4.304 2.354 2.985 1.00 0.00 C ATOM 213 C GLY A 34 -4.538 1.731 4.358 1.00 0.00 C ATOM 214 O GLY A 34 -4.297 0.540 4.559 1.00 0.00 O ATOM 0 H GLY A 34 -5.230 4.160 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.138 1.568 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.402 2.965 3.008 1.00 0.00 H new ATOM 218 N ILE A 35 -5.015 2.540 5.297 1.00 0.00 N ATOM 219 CA ILE A 35 -5.284 2.053 6.645 1.00 0.00 C ATOM 220 C ILE A 35 -6.391 1.001 6.614 1.00 0.00 C ATOM 221 O ILE A 35 -6.304 -0.027 7.288 1.00 0.00 O ATOM 222 CB ILE A 35 -5.696 3.217 7.552 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.497 4.148 7.753 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.148 2.675 8.913 1.00 0.00 C ATOM 225 CD1 ILE A 35 -4.966 5.448 8.403 1.00 0.00 C ATOM 0 H ILE A 35 -5.222 3.528 5.152 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.376 1.598 7.041 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.517 3.765 7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.749 3.664 8.381 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.022 4.359 6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.440 3.505 9.556 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.998 2.006 8.774 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.328 2.128 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.113 6.111 8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.699 5.933 7.758 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.421 5.228 9.369 1.00 0.00 H new ATOM 237 N LEU A 36 -7.433 1.268 5.831 1.00 0.00 N ATOM 238 CA LEU A 36 -8.553 0.341 5.725 1.00 0.00 C ATOM 239 C LEU A 36 -8.076 -1.001 5.185 1.00 0.00 C ATOM 240 O LEU A 36 -8.501 -2.058 5.655 1.00 0.00 O ATOM 241 CB LEU A 36 -9.631 0.915 4.798 1.00 0.00 C ATOM 242 CG LEU A 36 -10.807 -0.068 4.665 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.413 -0.370 6.046 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.874 0.556 3.759 1.00 0.00 C ATOM 0 H LEU A 36 -7.524 2.112 5.265 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.977 0.196 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.988 1.867 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.204 1.116 3.815 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.449 -1.002 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.244 -1.067 5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.652 -0.813 6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.774 0.555 6.495 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.713 -0.132 3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.223 1.491 4.198 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.446 0.754 2.776 1.00 0.00 H new ATOM 256 N HIS A 37 -7.189 -0.957 4.197 1.00 0.00 N ATOM 257 CA HIS A 37 -6.670 -2.183 3.608 1.00 0.00 C ATOM 258 C HIS A 37 -5.996 -3.034 4.678 1.00 0.00 C ATOM 259 O HIS A 37 -6.161 -4.255 4.705 1.00 0.00 O ATOM 260 CB HIS A 37 -5.655 -1.853 2.515 1.00 0.00 C ATOM 261 CG HIS A 37 -5.174 -3.133 1.888 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.383 -3.425 0.553 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.505 -4.211 2.406 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.849 -4.637 0.318 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.302 -5.158 1.414 1.00 0.00 N ATOM 0 H HIS A 37 -6.819 -0.097 3.792 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.502 -2.738 3.174 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.110 -1.212 1.760 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.815 -1.301 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.184 -4.308 3.433 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.862 -5.128 -0.644 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.834 -6.060 1.505 1.00 0.00 H new ATOM 273 N LEU A 38 -5.239 -2.387 5.557 1.00 0.00 N ATOM 274 CA LEU A 38 -4.541 -3.099 6.626 1.00 0.00 C ATOM 275 C LEU A 38 -5.522 -3.815 7.543 1.00 0.00 C ATOM 276 O LEU A 38 -5.261 -4.932 7.975 1.00 0.00 O ATOM 277 CB LEU A 38 -3.673 -2.111 7.441 1.00 0.00 C ATOM 278 CG LEU A 38 -2.249 -2.030 6.849 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.583 -0.717 7.258 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.401 -3.205 7.370 1.00 0.00 C ATOM 0 H LEU A 38 -5.092 -1.378 5.553 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.897 -3.851 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.133 -1.123 7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.623 -2.433 8.481 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.320 -2.078 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.579 -0.671 6.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.172 0.121 6.886 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.521 -0.663 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.397 -3.144 6.950 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.343 -3.158 8.457 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.862 -4.147 7.072 1.00 0.00 H new ATOM 292 N ILE A 39 -6.640 -3.173 7.848 1.00 0.00 N ATOM 293 CA ILE A 39 -7.623 -3.786 8.730 1.00 0.00 C ATOM 294 C ILE A 39 -8.167 -5.074 8.114 1.00 0.00 C ATOM 295 O ILE A 39 -8.297 -6.092 8.790 1.00 0.00 O ATOM 296 CB ILE A 39 -8.771 -2.803 8.972 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.245 -1.608 9.775 1.00 0.00 C ATOM 298 CG2 ILE A 39 -9.887 -3.497 9.759 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.305 -0.504 9.824 1.00 0.00 C ATOM 0 H ILE A 39 -6.887 -2.245 7.505 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.143 -4.031 9.677 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.167 -2.460 8.016 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.989 -1.923 10.787 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.331 -1.227 9.319 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.703 -2.795 9.930 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.256 -4.351 9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.497 -3.840 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.924 0.342 10.396 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.540 -0.180 8.810 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.207 -0.887 10.300 1.00 0.00 H new ATOM 311 N LEU A 40 -8.490 -5.025 6.828 1.00 0.00 N ATOM 312 CA LEU A 40 -9.013 -6.201 6.145 1.00 0.00 C ATOM 313 C LEU A 40 -7.914 -7.240 5.905 1.00 0.00 C ATOM 314 O LEU A 40 -8.125 -8.436 6.100 1.00 0.00 O ATOM 315 CB LEU A 40 -9.635 -5.784 4.816 1.00 0.00 C ATOM 316 CG LEU A 40 -10.627 -4.639 5.054 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.201 -4.181 3.712 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.767 -5.113 5.970 1.00 0.00 C ATOM 0 H LEU A 40 -8.401 -4.194 6.243 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.772 -6.657 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.857 -5.467 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.145 -6.632 4.359 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.110 -3.808 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.907 -3.367 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.392 -3.835 3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.714 -5.014 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.467 -4.294 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.288 -5.947 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.355 -5.435 6.926 1.00 0.00 H new ATOM 330 N TRP A 41 -6.744 -6.774 5.470 1.00 0.00 N ATOM 331 CA TRP A 41 -5.622 -7.671 5.194 1.00 0.00 C ATOM 332 C TRP A 41 -5.088 -8.314 6.471 1.00 0.00 C ATOM 333 O TRP A 41 -4.861 -9.523 6.517 1.00 0.00 O ATOM 334 CB TRP A 41 -4.502 -6.896 4.485 1.00 0.00 C ATOM 335 CG TRP A 41 -3.269 -7.741 4.392 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.014 -8.655 3.430 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.106 -7.737 5.268 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.779 -9.228 3.673 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.179 -8.689 4.791 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.772 -7.007 6.420 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.035 -8.908 5.437 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.545 -7.223 7.067 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.353 -8.171 6.575 1.00 0.00 C ATOM 0 H TRP A 41 -6.549 -5.787 5.302 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.981 -8.471 4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.828 -6.603 3.487 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.283 -5.978 5.031 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.668 -8.898 2.606 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.363 -9.959 3.096 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.463 -6.275 6.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.726 -9.646 5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.295 -6.653 7.950 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.295 -8.333 7.077 1.00 0.00 H new ATOM 354 N ILE A 42 -4.875 -7.504 7.499 1.00 0.00 N ATOM 355 CA ILE A 42 -4.351 -8.018 8.758 1.00 0.00 C ATOM 356 C ILE A 42 -5.345 -8.990 9.381 1.00 0.00 C ATOM 357 O ILE A 42 -4.958 -9.987 9.988 1.00 0.00 O ATOM 358 CB ILE A 42 -4.065 -6.858 9.728 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.167 -7.348 10.869 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.379 -6.318 10.318 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.715 -6.144 11.696 1.00 0.00 C ATOM 0 H ILE A 42 -5.054 -6.500 7.488 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.419 -8.547 8.560 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.564 -6.061 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.708 -8.055 11.498 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.302 -7.876 10.468 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.161 -5.498 11.002 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.019 -5.958 9.512 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -5.890 -7.115 10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.075 -6.482 12.511 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.160 -5.454 11.061 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.588 -5.636 12.107 1.00 0.00 H new ATOM 373 N LEU A 43 -6.632 -8.690 9.230 1.00 0.00 N ATOM 374 CA LEU A 43 -7.670 -9.544 9.787 1.00 0.00 C ATOM 375 C LEU A 43 -7.597 -10.936 9.172 1.00 0.00 C ATOM 376 O LEU A 43 -7.711 -11.940 9.871 1.00 0.00 O ATOM 377 CB LEU A 43 -9.052 -8.932 9.518 1.00 0.00 C ATOM 378 CG LEU A 43 -10.162 -9.831 10.090 1.00 0.00 C ATOM 379 CD1 LEU A 43 -9.962 -10.031 11.602 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.521 -9.173 9.833 1.00 0.00 C ATOM 0 H LEU A 43 -6.976 -7.870 8.731 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.515 -9.624 10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.111 -7.941 9.968 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.197 -8.804 8.445 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.122 -10.805 9.602 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.755 -10.669 11.993 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.996 -10.502 11.782 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.994 -9.064 12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.313 -9.804 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.551 -8.198 10.320 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.667 -9.047 8.760 1.00 0.00 H new ATOM 633 N VAL B 28 -0.267 11.369 -7.591 1.00 0.00 N ATOM 634 CA VAL B 28 -1.408 10.792 -8.295 1.00 0.00 C ATOM 635 C VAL B 28 -1.125 9.340 -8.666 1.00 0.00 C ATOM 636 O VAL B 28 -1.977 8.469 -8.496 1.00 0.00 O ATOM 637 CB VAL B 28 -1.709 11.601 -9.558 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.829 10.925 -10.349 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.145 13.014 -9.163 1.00 0.00 C ATOM 0 HA VAL B 28 -2.275 10.823 -7.635 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.813 11.653 -10.176 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.040 11.504 -11.248 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.519 9.919 -10.630 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.727 10.870 -9.733 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.360 13.593 -10.061 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.040 12.959 -8.544 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.345 13.498 -8.602 1.00 0.00 H new ATOM 649 N ALA B 29 0.078 9.089 -9.171 1.00 0.00 N ATOM 650 CA ALA B 29 0.463 7.738 -9.561 1.00 0.00 C ATOM 651 C ALA B 29 0.392 6.800 -8.361 1.00 0.00 C ATOM 652 O ALA B 29 0.123 5.610 -8.502 1.00 0.00 O ATOM 653 CB ALA B 29 1.882 7.741 -10.131 1.00 0.00 C ATOM 0 H ALA B 29 0.798 9.797 -9.319 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.229 7.386 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA B 29 2.160 6.727 -10.419 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.922 8.391 -11.005 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.577 8.107 -9.375 1.00 0.00 H new ATOM 659 N ALA B 30 0.639 7.337 -7.175 1.00 0.00 N ATOM 660 CA ALA B 30 0.587 6.523 -5.970 1.00 0.00 C ATOM 661 C ALA B 30 -0.862 6.184 -5.616 1.00 0.00 C ATOM 662 O ALA B 30 -1.164 5.065 -5.198 1.00 0.00 O ATOM 663 CB ALA B 30 1.250 7.263 -4.806 1.00 0.00 C ATOM 0 H ALA B 30 0.874 8.318 -7.022 1.00 0.00 H new ATOM 0 HA ALA B 30 1.128 5.595 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.205 6.645 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.291 7.470 -5.053 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.726 8.202 -4.626 1.00 0.00 H new ATOM 669 N ASN B 31 -1.751 7.163 -5.774 1.00 0.00 N ATOM 670 CA ASN B 31 -3.165 6.969 -5.459 1.00 0.00 C ATOM 671 C ASN B 31 -3.845 6.003 -6.431 1.00 0.00 C ATOM 672 O ASN B 31 -4.575 5.107 -6.011 1.00 0.00 O ATOM 673 CB ASN B 31 -3.893 8.313 -5.493 1.00 0.00 C ATOM 674 CG ASN B 31 -5.370 8.112 -5.170 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.712 7.278 -4.332 1.00 0.00 O ATOM 676 ND2 ASN B 31 -6.267 8.829 -5.788 1.00 0.00 N ATOM 0 H ASN B 31 -1.518 8.095 -6.117 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.218 6.534 -4.461 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.444 8.998 -4.773 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.786 8.770 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.257 8.700 -5.578 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.979 9.519 -6.482 1.00 0.00 H new ATOM 683 N ILE B 32 -3.615 6.195 -7.729 1.00 0.00 N ATOM 684 CA ILE B 32 -4.231 5.334 -8.731 1.00 0.00 C ATOM 685 C ILE B 32 -3.694 3.907 -8.620 1.00 0.00 C ATOM 686 O ILE B 32 -4.455 2.944 -8.686 1.00 0.00 O ATOM 687 CB ILE B 32 -3.942 5.904 -10.125 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.807 5.199 -11.174 1.00 0.00 C ATOM 689 CG2 ILE B 32 -2.466 5.698 -10.468 1.00 0.00 C ATOM 690 CD1 ILE B 32 -4.697 5.950 -12.502 1.00 0.00 C ATOM 0 H ILE B 32 -3.015 6.929 -8.106 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.308 5.302 -8.564 1.00 0.00 H new ATOM 0 HB ILE B 32 -4.175 6.969 -10.125 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -4.480 4.166 -11.298 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -5.846 5.167 -10.845 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -2.263 6.104 -11.459 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -1.846 6.210 -9.732 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -2.235 4.633 -10.458 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -5.311 5.453 -13.253 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -5.044 6.975 -12.370 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -3.658 5.958 -12.830 1.00 0.00 H new ATOM 702 N ILE B 33 -2.381 3.783 -8.438 1.00 0.00 N ATOM 703 CA ILE B 33 -1.759 2.468 -8.306 1.00 0.00 C ATOM 704 C ILE B 33 -2.264 1.763 -7.048 1.00 0.00 C ATOM 705 O ILE B 33 -2.570 0.570 -7.079 1.00 0.00 O ATOM 706 CB ILE B 33 -0.227 2.605 -8.256 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.298 3.042 -9.631 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.404 1.260 -7.883 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.772 3.445 -9.522 1.00 0.00 C ATOM 0 H ILE B 33 -1.733 4.569 -8.379 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.031 1.869 -9.175 1.00 0.00 H new ATOM 0 HB ILE B 33 0.037 3.352 -7.507 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.186 2.229 -10.348 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.290 3.880 -10.005 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.489 1.364 -7.849 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.039 0.946 -6.905 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.134 0.512 -8.629 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.138 3.754 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.872 4.272 -8.820 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.356 2.596 -9.168 1.00 0.00 H new ATOM 721 N GLY B 34 -2.342 2.501 -5.944 1.00 0.00 N ATOM 722 CA GLY B 34 -2.805 1.922 -4.687 1.00 0.00 C ATOM 723 C GLY B 34 -4.232 1.403 -4.816 1.00 0.00 C ATOM 724 O GLY B 34 -4.542 0.292 -4.383 1.00 0.00 O ATOM 0 H GLY B 34 -2.094 3.489 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.143 1.107 -4.393 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.757 2.672 -3.898 1.00 0.00 H new ATOM 728 N ILE B 35 -5.097 2.207 -5.424 1.00 0.00 N ATOM 729 CA ILE B 35 -6.488 1.813 -5.615 1.00 0.00 C ATOM 730 C ILE B 35 -6.572 0.594 -6.530 1.00 0.00 C ATOM 731 O ILE B 35 -7.337 -0.335 -6.276 1.00 0.00 O ATOM 732 CB ILE B 35 -7.286 2.974 -6.213 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.384 4.104 -5.186 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.698 2.496 -6.576 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.915 5.365 -5.868 1.00 0.00 C ATOM 0 H ILE B 35 -4.862 3.129 -5.791 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.914 1.553 -4.646 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.783 3.334 -7.110 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.045 3.812 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.405 4.299 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.264 3.324 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.633 1.689 -7.305 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.202 2.135 -5.679 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.986 6.171 -5.138 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.236 5.659 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.902 5.165 -6.284 1.00 0.00 H new ATOM 747 N LEU B 36 -5.779 0.609 -7.599 1.00 0.00 N ATOM 748 CA LEU B 36 -5.775 -0.497 -8.548 1.00 0.00 C ATOM 749 C LEU B 36 -5.359 -1.787 -7.853 1.00 0.00 C ATOM 750 O LEU B 36 -5.931 -2.849 -8.098 1.00 0.00 O ATOM 751 CB LEU B 36 -4.809 -0.200 -9.704 1.00 0.00 C ATOM 752 CG LEU B 36 -4.783 -1.373 -10.702 1.00 0.00 C ATOM 753 CD1 LEU B 36 -6.195 -1.639 -11.254 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.836 -1.023 -11.855 1.00 0.00 C ATOM 0 H LEU B 36 -5.137 1.368 -7.827 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.783 -0.615 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.114 0.713 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.807 -0.026 -9.312 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.435 -2.272 -10.193 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -6.160 -2.471 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.866 -1.887 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.560 -0.748 -11.764 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.810 -1.847 -12.568 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.190 -0.122 -12.355 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.834 -0.851 -11.463 1.00 0.00 H new ATOM 766 N HIS B 37 -4.363 -1.688 -6.980 1.00 0.00 N ATOM 767 CA HIS B 37 -3.884 -2.860 -6.257 1.00 0.00 C ATOM 768 C HIS B 37 -5.022 -3.485 -5.460 1.00 0.00 C ATOM 769 O HIS B 37 -5.166 -4.706 -5.420 1.00 0.00 O ATOM 770 CB HIS B 37 -2.764 -2.466 -5.298 1.00 0.00 C ATOM 771 CG HIS B 37 -2.249 -3.701 -4.613 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.948 -4.147 -4.765 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.857 -4.606 -3.781 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.821 -5.275 -4.044 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.954 -5.598 -3.423 1.00 0.00 N ATOM 0 H HIS B 37 -3.876 -0.820 -6.757 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.506 -3.581 -6.982 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.958 -1.974 -5.842 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.133 -1.753 -4.561 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.885 -4.555 -3.453 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.091 -5.850 -3.977 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.122 -6.400 -2.816 1.00 0.00 H new ATOM 783 N LEU B 38 -5.828 -2.640 -4.820 1.00 0.00 N ATOM 784 CA LEU B 38 -6.949 -3.123 -4.018 1.00 0.00 C ATOM 785 C LEU B 38 -7.941 -3.901 -4.874 1.00 0.00 C ATOM 786 O LEU B 38 -8.473 -4.915 -4.433 1.00 0.00 O ATOM 787 CB LEU B 38 -7.657 -1.936 -3.326 1.00 0.00 C ATOM 788 CG LEU B 38 -7.033 -1.672 -1.937 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.316 -0.235 -1.497 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.637 -2.636 -0.900 1.00 0.00 C ATOM 0 H LEU B 38 -5.727 -1.625 -4.841 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.557 -3.798 -3.257 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.573 -1.043 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.720 -2.151 -3.219 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.956 -1.828 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.872 -0.060 -0.517 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.885 0.458 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.393 -0.077 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.193 -2.445 0.077 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.715 -2.482 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.432 -3.665 -1.197 1.00 0.00 H new ATOM 802 N ILE B 39 -8.196 -3.427 -6.083 1.00 0.00 N ATOM 803 CA ILE B 39 -9.141 -4.109 -6.957 1.00 0.00 C ATOM 804 C ILE B 39 -8.654 -5.522 -7.279 1.00 0.00 C ATOM 805 O ILE B 39 -9.427 -6.478 -7.242 1.00 0.00 O ATOM 806 CB ILE B 39 -9.305 -3.310 -8.253 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.987 -1.975 -7.935 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.164 -4.103 -9.242 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.943 -1.061 -9.164 1.00 0.00 C ATOM 0 H ILE B 39 -7.771 -2.588 -6.478 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.101 -4.182 -6.447 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.327 -3.127 -8.697 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.021 -2.147 -7.636 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.488 -1.493 -7.094 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.279 -3.532 -10.163 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.680 -5.054 -9.463 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.145 -4.288 -8.805 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.430 -0.114 -8.931 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.906 -0.877 -9.444 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.462 -1.541 -9.993 1.00 0.00 H new ATOM 821 N LEU B 40 -7.375 -5.647 -7.600 1.00 0.00 N ATOM 822 CA LEU B 40 -6.811 -6.954 -7.919 1.00 0.00 C ATOM 823 C LEU B 40 -6.657 -7.814 -6.663 1.00 0.00 C ATOM 824 O LEU B 40 -6.966 -9.007 -6.674 1.00 0.00 O ATOM 825 CB LEU B 40 -5.457 -6.772 -8.597 1.00 0.00 C ATOM 826 CG LEU B 40 -5.601 -5.791 -9.768 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.229 -5.563 -10.404 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.570 -6.360 -10.816 1.00 0.00 C ATOM 0 H LEU B 40 -6.714 -4.872 -7.647 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.494 -7.469 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.727 -6.396 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.086 -7.732 -8.956 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.997 -4.845 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.325 -4.867 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.548 -5.148 -9.661 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.835 -6.512 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.666 -5.656 -11.643 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.186 -7.309 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.547 -6.519 -10.360 1.00 0.00 H new ATOM 840 N TRP B 41 -6.165 -7.205 -5.586 1.00 0.00 N ATOM 841 CA TRP B 41 -5.960 -7.925 -4.331 1.00 0.00 C ATOM 842 C TRP B 41 -7.286 -8.349 -3.701 1.00 0.00 C ATOM 843 O TRP B 41 -7.442 -9.495 -3.277 1.00 0.00 O ATOM 844 CB TRP B 41 -5.168 -7.047 -3.354 1.00 0.00 C ATOM 845 CG TRP B 41 -5.141 -7.683 -1.999 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.265 -8.631 -1.598 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.995 -7.403 -0.856 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.548 -8.971 -0.287 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.601 -8.234 0.214 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.066 -6.519 -0.647 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.250 -8.190 1.445 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.714 -6.468 0.596 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.305 -7.302 1.636 1.00 0.00 C ATOM 0 H TRP B 41 -5.902 -6.220 -5.557 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.395 -8.831 -4.550 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.151 -6.908 -3.720 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.622 -6.058 -3.291 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.475 -9.053 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.041 -9.679 0.244 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.393 -5.874 -1.449 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.937 -8.841 2.247 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.533 -5.780 0.748 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.807 -7.259 2.591 1.00 0.00 H new ATOM 864 N ILE B 42 -8.231 -7.423 -3.629 1.00 0.00 N ATOM 865 CA ILE B 42 -9.526 -7.721 -3.031 1.00 0.00 C ATOM 866 C ILE B 42 -10.249 -8.782 -3.852 1.00 0.00 C ATOM 867 O ILE B 42 -10.943 -9.638 -3.307 1.00 0.00 O ATOM 868 CB ILE B 42 -10.379 -6.443 -2.943 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.550 -6.666 -1.982 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.934 -6.074 -4.331 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.255 -5.332 -1.738 1.00 0.00 C ATOM 0 H ILE B 42 -8.129 -6.468 -3.973 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.368 -8.104 -2.023 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.750 -5.631 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.249 -7.390 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.190 -7.079 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.535 -5.168 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.107 -5.903 -5.020 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.553 -6.890 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.091 -5.482 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.551 -4.623 -1.301 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.626 -4.938 -2.684 1.00 0.00 H new ATOM 883 N LEU B 43 -10.086 -8.713 -5.171 1.00 0.00 N ATOM 884 CA LEU B 43 -10.734 -9.669 -6.056 1.00 0.00 C ATOM 885 C LEU B 43 -10.252 -11.083 -5.749 1.00 0.00 C ATOM 886 O LEU B 43 -11.045 -12.020 -5.694 1.00 0.00 O ATOM 887 CB LEU B 43 -10.426 -9.325 -7.519 1.00 0.00 C ATOM 888 CG LEU B 43 -11.095 -10.337 -8.465 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.617 -10.353 -8.241 1.00 0.00 C ATOM 890 CD2 LEU B 43 -10.792 -9.939 -9.914 1.00 0.00 C ATOM 0 H LEU B 43 -9.516 -8.012 -5.644 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.811 -9.618 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.780 -8.319 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.348 -9.327 -7.679 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.703 -11.334 -8.262 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -13.077 -11.074 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.830 -10.636 -7.210 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -13.024 -9.361 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -11.262 -10.651 -10.593 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -11.184 -8.940 -10.107 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.714 -9.943 -10.074 1.00 0.00 H new ATOM 1143 N VAL C 28 8.439 10.484 -1.835 1.00 0.00 N ATOM 1144 CA VAL C 28 9.070 9.695 -2.886 1.00 0.00 C ATOM 1145 C VAL C 28 9.327 8.271 -2.399 1.00 0.00 C ATOM 1146 O VAL C 28 9.072 7.304 -3.116 1.00 0.00 O ATOM 1147 CB VAL C 28 10.391 10.343 -3.307 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.102 9.449 -4.325 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.105 11.706 -3.940 1.00 0.00 C ATOM 0 HA VAL C 28 8.399 9.659 -3.744 1.00 0.00 H new ATOM 0 HB VAL C 28 11.028 10.470 -2.432 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.042 9.913 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.304 8.476 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.467 9.320 -5.202 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.043 12.171 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.468 11.575 -4.815 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.600 12.345 -3.216 1.00 0.00 H new ATOM 1159 N ALA C 29 9.833 8.153 -1.175 1.00 0.00 N ATOM 1160 CA ALA C 29 10.119 6.844 -0.604 1.00 0.00 C ATOM 1161 C ALA C 29 8.844 6.009 -0.530 1.00 0.00 C ATOM 1162 O ALA C 29 8.882 4.785 -0.627 1.00 0.00 O ATOM 1163 CB ALA C 29 10.712 7.002 0.796 1.00 0.00 C ATOM 0 H ALA C 29 10.051 8.941 -0.565 1.00 0.00 H new ATOM 0 HA ALA C 29 10.839 6.335 -1.244 1.00 0.00 H new ATOM 0 HB1 ALA C 29 10.923 6.018 1.215 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.636 7.577 0.737 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.000 7.524 1.436 1.00 0.00 H new ATOM 1169 N ALA C 30 7.711 6.673 -0.355 1.00 0.00 N ATOM 1170 CA ALA C 30 6.442 5.965 -0.279 1.00 0.00 C ATOM 1171 C ALA C 30 6.033 5.453 -1.662 1.00 0.00 C ATOM 1172 O ALA C 30 5.518 4.343 -1.798 1.00 0.00 O ATOM 1173 CB ALA C 30 5.355 6.888 0.277 1.00 0.00 C ATOM 0 H ALA C 30 7.644 7.687 -0.264 1.00 0.00 H new ATOM 0 HA ALA C 30 6.561 5.113 0.390 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.410 6.347 0.329 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.637 7.222 1.275 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.242 7.753 -0.377 1.00 0.00 H new ATOM 1179 N ASN C 31 6.258 6.279 -2.685 1.00 0.00 N ATOM 1180 CA ASN C 31 5.899 5.910 -4.054 1.00 0.00 C ATOM 1181 C ASN C 31 6.776 4.779 -4.593 1.00 0.00 C ATOM 1182 O ASN C 31 6.271 3.826 -5.185 1.00 0.00 O ATOM 1183 CB ASN C 31 6.030 7.128 -4.969 1.00 0.00 C ATOM 1184 CG ASN C 31 5.665 6.747 -6.399 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.753 5.948 -6.614 1.00 0.00 O ATOM 1186 ND2 ASN C 31 6.325 7.270 -7.394 1.00 0.00 N ATOM 0 H ASN C 31 6.684 7.201 -2.592 1.00 0.00 H new ATOM 0 HA ASN C 31 4.868 5.557 -4.037 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.377 7.928 -4.619 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.050 7.511 -4.935 1.00 0.00 H new ATOM 0 HD21 ASN C 31 6.086 7.018 -8.353 1.00 0.00 H new ATOM 0 HD22 ASN C 31 7.080 7.932 -7.214 1.00 0.00 H new ATOM 1193 N ILE C 32 8.089 4.891 -4.403 1.00 0.00 N ATOM 1194 CA ILE C 32 9.007 3.872 -4.896 1.00 0.00 C ATOM 1195 C ILE C 32 8.791 2.551 -4.158 1.00 0.00 C ATOM 1196 O ILE C 32 8.763 1.484 -4.773 1.00 0.00 O ATOM 1197 CB ILE C 32 10.447 4.357 -4.702 1.00 0.00 C ATOM 1198 CG1 ILE C 32 11.418 3.450 -5.463 1.00 0.00 C ATOM 1199 CG2 ILE C 32 10.800 4.339 -3.215 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.807 4.095 -5.472 1.00 0.00 C ATOM 0 H ILE C 32 8.535 5.669 -3.917 1.00 0.00 H new ATOM 0 HA ILE C 32 8.818 3.702 -5.956 1.00 0.00 H new ATOM 0 HB ILE C 32 10.530 5.373 -5.087 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.463 2.468 -4.992 1.00 0.00 H new ATOM 0 HG13 ILE C 32 11.068 3.298 -6.484 1.00 0.00 H new ATOM 0 HG21 ILE C 32 11.825 4.684 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.121 4.996 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.706 3.323 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE C 32 13.503 3.453 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.754 5.067 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.155 4.225 -4.447 1.00 0.00 H new ATOM 1212 N ILE C 33 8.624 2.630 -2.839 1.00 0.00 N ATOM 1213 CA ILE C 33 8.396 1.435 -2.032 1.00 0.00 C ATOM 1214 C ILE C 33 7.075 0.771 -2.422 1.00 0.00 C ATOM 1215 O ILE C 33 7.002 -0.451 -2.552 1.00 0.00 O ATOM 1216 CB ILE C 33 8.385 1.793 -0.538 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.800 2.186 -0.091 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.920 0.587 0.285 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.754 2.801 1.310 1.00 0.00 C ATOM 0 H ILE C 33 8.642 3.502 -2.311 1.00 0.00 H new ATOM 0 HA ILE C 33 9.209 0.733 -2.219 1.00 0.00 H new ATOM 0 HB ILE C 33 7.702 2.628 -0.381 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.447 1.309 -0.091 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.228 2.898 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.915 0.849 1.343 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.914 0.302 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.600 -0.249 0.121 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.762 3.077 1.619 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.122 3.689 1.297 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.345 2.075 2.013 1.00 0.00 H new ATOM 1231 N GLY C 34 6.034 1.580 -2.599 1.00 0.00 N ATOM 1232 CA GLY C 34 4.725 1.050 -2.964 1.00 0.00 C ATOM 1233 C GLY C 34 4.784 0.322 -4.303 1.00 0.00 C ATOM 1234 O GLY C 34 4.256 -0.782 -4.446 1.00 0.00 O ATOM 0 H GLY C 34 6.070 2.594 -2.497 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.377 0.367 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY C 34 4.002 1.864 -3.020 1.00 0.00 H new ATOM 1238 N ILE C 35 5.441 0.939 -5.280 1.00 0.00 N ATOM 1239 CA ILE C 35 5.572 0.334 -6.601 1.00 0.00 C ATOM 1240 C ILE C 35 6.383 -0.956 -6.512 1.00 0.00 C ATOM 1241 O ILE C 35 6.040 -1.960 -7.135 1.00 0.00 O ATOM 1242 CB ILE C 35 6.249 1.315 -7.562 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.316 2.500 -7.815 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.543 0.611 -8.891 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.089 3.611 -8.529 1.00 0.00 C ATOM 0 H ILE C 35 5.888 1.851 -5.184 1.00 0.00 H new ATOM 0 HA ILE C 35 4.578 0.097 -6.979 1.00 0.00 H new ATOM 0 HB ILE C 35 7.182 1.668 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.466 2.185 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.915 2.869 -6.871 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.025 1.310 -9.574 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.204 -0.238 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.610 0.259 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.426 4.457 -8.710 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.924 3.932 -7.906 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.469 3.237 -9.480 1.00 0.00 H new ATOM 1257 N LEU C 36 7.464 -0.917 -5.739 1.00 0.00 N ATOM 1258 CA LEU C 36 8.321 -2.085 -5.582 1.00 0.00 C ATOM 1259 C LEU C 36 7.531 -3.241 -4.979 1.00 0.00 C ATOM 1260 O LEU C 36 7.680 -4.390 -5.393 1.00 0.00 O ATOM 1261 CB LEU C 36 9.515 -1.750 -4.677 1.00 0.00 C ATOM 1262 CG LEU C 36 10.414 -2.987 -4.488 1.00 0.00 C ATOM 1263 CD1 LEU C 36 10.915 -3.498 -5.850 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.607 -2.602 -3.610 1.00 0.00 C ATOM 0 H LEU C 36 7.765 -0.095 -5.215 1.00 0.00 H new ATOM 0 HA LEU C 36 8.689 -2.378 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.093 -0.936 -5.115 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.158 -1.402 -3.708 1.00 0.00 H new ATOM 0 HG LEU C 36 9.840 -3.781 -4.010 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.549 -4.372 -5.700 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.063 -3.770 -6.472 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.489 -2.714 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.251 -3.470 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.173 -1.806 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.249 -2.255 -2.641 1.00 0.00 H new ATOM 1276 N HIS C 37 6.689 -2.929 -3.999 1.00 0.00 N ATOM 1277 CA HIS C 37 5.885 -3.957 -3.353 1.00 0.00 C ATOM 1278 C HIS C 37 5.015 -4.668 -4.384 1.00 0.00 C ATOM 1279 O HIS C 37 4.873 -5.890 -4.351 1.00 0.00 O ATOM 1280 CB HIS C 37 4.989 -3.331 -2.286 1.00 0.00 C ATOM 1281 CG HIS C 37 4.212 -4.418 -1.599 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.350 -4.688 -0.248 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.294 -5.324 -2.065 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.538 -5.717 0.043 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.869 -6.142 -1.028 1.00 0.00 N ATOM 0 H HIS C 37 6.547 -1.985 -3.639 1.00 0.00 H new ATOM 0 HA HIS C 37 6.556 -4.678 -2.886 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.592 -2.784 -1.561 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.308 -2.612 -2.741 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.953 -5.391 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.439 -6.149 1.028 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.192 -6.903 -1.075 1.00 0.00 H new ATOM 1293 N LEU C 38 4.437 -3.895 -5.298 1.00 0.00 N ATOM 1294 CA LEU C 38 3.578 -4.463 -6.334 1.00 0.00 C ATOM 1295 C LEU C 38 4.346 -5.445 -7.209 1.00 0.00 C ATOM 1296 O LEU C 38 3.811 -6.483 -7.586 1.00 0.00 O ATOM 1297 CB LEU C 38 2.977 -3.335 -7.201 1.00 0.00 C ATOM 1298 CG LEU C 38 1.620 -2.878 -6.626 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.294 -1.463 -7.103 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.508 -3.832 -7.096 1.00 0.00 C ATOM 0 H LEU C 38 4.546 -2.882 -5.344 1.00 0.00 H new ATOM 0 HA LEU C 38 2.771 -5.008 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.666 -2.491 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.846 -3.685 -8.225 1.00 0.00 H new ATOM 0 HG LEU C 38 1.682 -2.889 -5.538 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.334 -1.152 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.072 -0.778 -6.767 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.243 -1.449 -8.192 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.448 -3.505 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.459 -3.825 -8.185 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.725 -4.842 -6.749 1.00 0.00 H new ATOM 1312 N ILE C 39 5.583 -5.117 -7.537 1.00 0.00 N ATOM 1313 CA ILE C 39 6.378 -5.996 -8.383 1.00 0.00 C ATOM 1314 C ILE C 39 6.591 -7.347 -7.699 1.00 0.00 C ATOM 1315 O ILE C 39 6.459 -8.397 -8.325 1.00 0.00 O ATOM 1316 CB ILE C 39 7.731 -5.341 -8.666 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.511 -4.094 -9.530 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.637 -6.328 -9.411 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.811 -3.289 -9.627 1.00 0.00 C ATOM 0 H ILE C 39 6.055 -4.264 -7.238 1.00 0.00 H new ATOM 0 HA ILE C 39 5.847 -6.161 -9.320 1.00 0.00 H new ATOM 0 HB ILE C 39 8.206 -5.060 -7.726 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.179 -4.386 -10.526 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.723 -3.477 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.600 -5.858 -9.611 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.787 -7.217 -8.799 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.169 -6.611 -10.354 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.646 -2.405 -10.243 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.125 -2.983 -8.629 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.588 -3.906 -10.079 1.00 0.00 H new ATOM 1331 N LEU C 40 6.924 -7.316 -6.417 1.00 0.00 N ATOM 1332 CA LEU C 40 7.145 -8.551 -5.673 1.00 0.00 C ATOM 1333 C LEU C 40 5.825 -9.272 -5.386 1.00 0.00 C ATOM 1334 O LEU C 40 5.732 -10.491 -5.520 1.00 0.00 O ATOM 1335 CB LEU C 40 7.861 -8.234 -4.363 1.00 0.00 C ATOM 1336 CG LEU C 40 9.104 -7.385 -4.653 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.784 -7.017 -3.334 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.086 -8.171 -5.538 1.00 0.00 C ATOM 0 H LEU C 40 7.046 -6.461 -5.874 1.00 0.00 H new ATOM 0 HA LEU C 40 7.762 -9.213 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.191 -7.699 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.147 -9.158 -3.860 1.00 0.00 H new ATOM 0 HG LEU C 40 8.804 -6.478 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.669 -6.413 -3.537 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.091 -6.449 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.078 -7.926 -2.810 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.965 -7.559 -5.738 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.388 -9.084 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.601 -8.428 -6.480 1.00 0.00 H new ATOM 1350 N TRP C 41 4.810 -8.510 -4.979 1.00 0.00 N ATOM 1351 CA TRP C 41 3.504 -9.087 -4.664 1.00 0.00 C ATOM 1352 C TRP C 41 2.817 -9.640 -5.911 1.00 0.00 C ATOM 1353 O TRP C 41 2.297 -10.755 -5.896 1.00 0.00 O ATOM 1354 CB TRP C 41 2.618 -8.023 -4.001 1.00 0.00 C ATOM 1355 CG TRP C 41 1.213 -8.529 -3.872 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.747 -9.300 -2.865 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.082 -8.281 -4.753 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.594 -9.559 -3.084 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.049 -8.949 -4.233 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.069 -7.551 -5.945 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.283 -8.893 -4.873 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.316 -7.489 -6.585 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.418 -8.160 -6.050 1.00 0.00 C ATOM 0 H TRP C 41 4.866 -7.498 -4.860 1.00 0.00 H new ATOM 0 HA TRP C 41 3.657 -9.919 -3.976 1.00 0.00 H new ATOM 0 HB2 TRP C 41 3.014 -7.771 -3.017 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.630 -7.108 -4.593 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.327 -9.656 -2.026 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.175 -10.131 -2.471 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.779 -7.035 -6.370 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.133 -9.416 -4.459 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.424 -6.919 -7.496 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.375 -8.111 -6.549 1.00 0.00 H new ATOM 1374 N ILE C 42 2.806 -8.855 -6.979 1.00 0.00 N ATOM 1375 CA ILE C 42 2.161 -9.284 -8.214 1.00 0.00 C ATOM 1376 C ILE C 42 2.881 -10.503 -8.784 1.00 0.00 C ATOM 1377 O ILE C 42 2.253 -11.402 -9.342 1.00 0.00 O ATOM 1378 CB ILE C 42 2.164 -8.139 -9.243 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.165 -8.446 -10.362 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.566 -7.971 -9.854 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.016 -7.210 -11.250 1.00 0.00 C ATOM 0 H ILE C 42 3.231 -7.928 -7.017 1.00 0.00 H new ATOM 0 HA ILE C 42 1.128 -9.554 -7.994 1.00 0.00 H new ATOM 0 HB ILE C 42 1.880 -7.217 -8.736 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.511 -9.294 -10.953 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.200 -8.724 -9.939 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.552 -7.158 -10.580 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.282 -7.741 -9.065 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.859 -8.896 -10.351 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.306 -7.420 -12.050 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.652 -6.374 -10.652 1.00 0.00 H new ATOM 0 HD13 ILE C 42 1.983 -6.953 -11.682 1.00 0.00 H new ATOM 1393 N LEU C 43 4.202 -10.521 -8.641 1.00 0.00 N ATOM 1394 CA LEU C 43 4.994 -11.631 -9.151 1.00 0.00 C ATOM 1395 C LEU C 43 4.581 -12.930 -8.466 1.00 0.00 C ATOM 1396 O LEU C 43 4.437 -13.964 -9.116 1.00 0.00 O ATOM 1397 CB LEU C 43 6.486 -11.369 -8.905 1.00 0.00 C ATOM 1398 CG LEU C 43 7.334 -12.541 -9.428 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.080 -12.757 -10.930 1.00 0.00 C ATOM 1400 CD2 LEU C 43 8.815 -12.227 -9.196 1.00 0.00 C ATOM 0 H LEU C 43 4.741 -9.787 -8.181 1.00 0.00 H new ATOM 0 HA LEU C 43 4.818 -11.722 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.786 -10.446 -9.402 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.666 -11.230 -7.839 1.00 0.00 H new ATOM 0 HG LEU C 43 7.058 -13.451 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU C 43 7.687 -13.590 -11.286 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.026 -12.981 -11.092 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.347 -11.853 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.424 -13.053 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU C 43 9.081 -11.314 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU C 43 8.995 -12.090 -8.130 1.00 0.00 H new ATOM 1653 N VAL D 28 3.103 11.356 6.917 1.00 0.00 N ATOM 1654 CA VAL D 28 4.073 10.560 7.660 1.00 0.00 C ATOM 1655 C VAL D 28 3.447 9.249 8.117 1.00 0.00 C ATOM 1656 O VAL D 28 4.056 8.183 8.006 1.00 0.00 O ATOM 1657 CB VAL D 28 4.576 11.347 8.874 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.506 10.462 9.709 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.342 12.581 8.394 1.00 0.00 C ATOM 0 HA VAL D 28 4.914 10.336 7.004 1.00 0.00 H new ATOM 0 HB VAL D 28 3.728 11.657 9.484 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.863 11.023 10.573 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.962 9.581 10.049 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.356 10.152 9.101 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.702 13.144 9.255 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.190 12.269 7.785 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.681 13.211 7.799 1.00 0.00 H new ATOM 1669 N ALA D 29 2.224 9.331 8.632 1.00 0.00 N ATOM 1670 CA ALA D 29 1.523 8.143 9.103 1.00 0.00 C ATOM 1671 C ALA D 29 1.349 7.144 7.962 1.00 0.00 C ATOM 1672 O ALA D 29 1.319 5.937 8.178 1.00 0.00 O ATOM 1673 CB ALA D 29 0.155 8.529 9.663 1.00 0.00 C ATOM 0 H ALA D 29 1.702 10.201 8.733 1.00 0.00 H new ATOM 0 HA ALA D 29 2.115 7.680 9.892 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.361 7.635 10.012 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.285 9.221 10.495 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.436 9.007 8.882 1.00 0.00 H new ATOM 1679 N ALA D 30 1.228 7.653 6.744 1.00 0.00 N ATOM 1680 CA ALA D 30 1.067 6.780 5.591 1.00 0.00 C ATOM 1681 C ALA D 30 2.384 6.073 5.266 1.00 0.00 C ATOM 1682 O ALA D 30 2.398 4.891 4.919 1.00 0.00 O ATOM 1683 CB ALA D 30 0.593 7.587 4.382 1.00 0.00 C ATOM 0 H ALA D 30 1.238 8.650 6.530 1.00 0.00 H new ATOM 0 HA ALA D 30 0.317 6.026 5.830 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.476 6.924 3.525 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.364 8.057 4.611 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.328 8.357 4.147 1.00 0.00 H new ATOM 1689 N ASN D 31 3.487 6.814 5.367 1.00 0.00 N ATOM 1690 CA ASN D 31 4.807 6.257 5.070 1.00 0.00 C ATOM 1691 C ASN D 31 5.240 5.215 6.102 1.00 0.00 C ATOM 1692 O ASN D 31 5.723 4.144 5.743 1.00 0.00 O ATOM 1693 CB ASN D 31 5.844 7.380 5.026 1.00 0.00 C ATOM 1694 CG ASN D 31 7.222 6.804 4.722 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.342 5.864 3.938 1.00 0.00 O ATOM 1696 ND2 ASN D 31 8.275 7.313 5.300 1.00 0.00 N ATOM 0 H ASN D 31 3.494 7.794 5.650 1.00 0.00 H new ATOM 0 HA ASN D 31 4.740 5.762 4.101 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.570 8.110 4.265 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.863 7.906 5.980 1.00 0.00 H new ATOM 0 HD21 ASN D 31 9.200 6.931 5.102 1.00 0.00 H new ATOM 0 HD22 ASN D 31 8.173 8.093 5.950 1.00 0.00 H new ATOM 1703 N ILE D 32 5.079 5.534 7.384 1.00 0.00 N ATOM 1704 CA ILE D 32 5.475 4.613 8.442 1.00 0.00 C ATOM 1705 C ILE D 32 4.603 3.358 8.416 1.00 0.00 C ATOM 1706 O ILE D 32 5.104 2.241 8.545 1.00 0.00 O ATOM 1707 CB ILE D 32 5.350 5.318 9.795 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.026 4.487 10.889 1.00 0.00 C ATOM 1709 CG2 ILE D 32 3.873 5.504 10.145 1.00 0.00 C ATOM 1710 CD1 ILE D 32 6.120 5.321 12.168 1.00 0.00 C ATOM 0 H ILE D 32 4.681 6.414 7.712 1.00 0.00 H new ATOM 0 HA ILE D 32 6.510 4.309 8.284 1.00 0.00 H new ATOM 0 HB ILE D 32 5.838 6.290 9.729 1.00 0.00 H new ATOM 0 HG12 ILE D 32 5.456 3.577 11.075 1.00 0.00 H new ATOM 0 HG13 ILE D 32 7.021 4.180 10.567 1.00 0.00 H new ATOM 0 HG21 ILE D 32 3.788 6.006 11.109 1.00 0.00 H new ATOM 0 HG22 ILE D 32 3.390 6.108 9.377 1.00 0.00 H new ATOM 0 HG23 ILE D 32 3.386 4.530 10.199 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.601 4.734 12.951 1.00 0.00 H new ATOM 0 HD12 ILE D 32 6.708 6.218 11.975 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.119 5.606 12.491 1.00 0.00 H new ATOM 1722 N ILE D 33 3.295 3.549 8.237 1.00 0.00 N ATOM 1723 CA ILE D 33 2.368 2.423 8.183 1.00 0.00 C ATOM 1724 C ILE D 33 2.671 1.539 6.973 1.00 0.00 C ATOM 1725 O ILE D 33 2.674 0.313 7.078 1.00 0.00 O ATOM 1726 CB ILE D 33 0.917 2.929 8.118 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.533 3.564 9.460 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.028 1.760 7.830 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.799 4.310 9.323 1.00 0.00 C ATOM 0 H ILE D 33 2.859 4.465 8.128 1.00 0.00 H new ATOM 0 HA ILE D 33 2.493 1.829 9.089 1.00 0.00 H new ATOM 0 HB ILE D 33 0.835 3.669 7.322 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.451 2.793 10.226 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.314 4.253 9.783 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.054 2.124 7.785 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.237 1.304 6.876 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.059 1.018 8.623 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.065 4.758 10.280 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.702 5.092 8.570 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.578 3.610 9.021 1.00 0.00 H new ATOM 1741 N GLY D 34 2.917 2.167 5.827 1.00 0.00 N ATOM 1742 CA GLY D 34 3.207 1.418 4.608 1.00 0.00 C ATOM 1743 C GLY D 34 4.466 0.571 4.776 1.00 0.00 C ATOM 1744 O GLY D 34 4.488 -0.606 4.412 1.00 0.00 O ATOM 0 H GLY D 34 2.922 3.181 5.716 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.362 0.775 4.361 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.337 2.108 3.774 1.00 0.00 H new ATOM 1748 N ILE D 35 5.508 1.173 5.338 1.00 0.00 N ATOM 1749 CA ILE D 35 6.761 0.461 5.558 1.00 0.00 C ATOM 1750 C ILE D 35 6.553 -0.684 6.546 1.00 0.00 C ATOM 1751 O ILE D 35 7.067 -1.786 6.353 1.00 0.00 O ATOM 1752 CB ILE D 35 7.828 1.424 6.088 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.189 2.431 4.994 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.081 0.638 6.484 1.00 0.00 C ATOM 1755 CD1 ILE D 35 9.021 3.562 5.600 1.00 0.00 C ATOM 0 H ILE D 35 5.511 2.145 5.647 1.00 0.00 H new ATOM 0 HA ILE D 35 7.099 0.047 4.608 1.00 0.00 H new ATOM 0 HB ILE D 35 7.439 1.950 6.960 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.750 1.937 4.200 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.283 2.833 4.541 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.838 1.326 6.861 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.828 -0.083 7.261 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.471 0.111 5.613 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.279 4.281 4.822 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.444 4.061 6.378 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.934 3.151 6.032 1.00 0.00 H new ATOM 1767 N LEU D 36 5.802 -0.409 7.609 1.00 0.00 N ATOM 1768 CA LEU D 36 5.537 -1.421 8.624 1.00 0.00 C ATOM 1769 C LEU D 36 4.808 -2.608 8.007 1.00 0.00 C ATOM 1770 O LEU D 36 5.104 -3.762 8.321 1.00 0.00 O ATOM 1771 CB LEU D 36 4.686 -0.827 9.755 1.00 0.00 C ATOM 1772 CG LEU D 36 4.385 -1.894 10.822 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.694 -2.466 11.396 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.565 -1.253 11.947 1.00 0.00 C ATOM 0 H LEU D 36 5.370 0.498 7.788 1.00 0.00 H new ATOM 0 HA LEU D 36 6.490 -1.759 9.032 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.211 0.013 10.210 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.753 -0.437 9.349 1.00 0.00 H new ATOM 0 HG LEU D 36 3.822 -2.709 10.367 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.463 -3.219 12.149 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.275 -2.921 10.594 1.00 0.00 H new ATOM 0 HD13 LEU D 36 6.273 -1.663 11.852 1.00 0.00 H new ATOM 0 HD21 LEU D 36 3.346 -2.001 12.709 1.00 0.00 H new ATOM 0 HD22 LEU D 36 4.134 -0.437 12.392 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.631 -0.865 11.541 1.00 0.00 H new ATOM 1786 N HIS D 37 3.857 -2.322 7.125 1.00 0.00 N ATOM 1787 CA HIS D 37 3.098 -3.382 6.477 1.00 0.00 C ATOM 1788 C HIS D 37 4.039 -4.315 5.723 1.00 0.00 C ATOM 1789 O HIS D 37 3.877 -5.533 5.757 1.00 0.00 O ATOM 1790 CB HIS D 37 2.094 -2.783 5.494 1.00 0.00 C ATOM 1791 CG HIS D 37 1.286 -3.892 4.883 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.083 -3.996 5.055 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.643 -4.968 4.108 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.492 -5.097 4.400 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.521 -5.724 3.806 1.00 0.00 N ATOM 0 H HIS D 37 3.596 -1.376 6.845 1.00 0.00 H new ATOM 0 HA HIS D 37 2.565 -3.944 7.244 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.439 -2.079 6.007 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.616 -2.225 4.717 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.648 -5.192 3.782 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.518 -5.432 4.361 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.480 -6.577 3.249 1.00 0.00 H new ATOM 1803 N LEU D 38 5.019 -3.733 5.038 1.00 0.00 N ATOM 1804 CA LEU D 38 5.979 -4.522 4.272 1.00 0.00 C ATOM 1805 C LEU D 38 6.759 -5.468 5.177 1.00 0.00 C ATOM 1806 O LEU D 38 7.021 -6.606 4.799 1.00 0.00 O ATOM 1807 CB LEU D 38 6.950 -3.589 3.514 1.00 0.00 C ATOM 1808 CG LEU D 38 6.400 -3.267 2.107 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.017 -1.970 1.584 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.747 -4.410 1.137 1.00 0.00 C ATOM 0 H LEU D 38 5.169 -2.725 4.997 1.00 0.00 H new ATOM 0 HA LEU D 38 5.425 -5.123 3.551 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.091 -2.666 4.076 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.928 -4.063 3.429 1.00 0.00 H new ATOM 0 HG LEU D 38 5.318 -3.154 2.175 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.622 -1.753 0.592 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.770 -1.151 2.260 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.100 -2.079 1.527 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.357 -4.178 0.146 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.830 -4.525 1.083 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.301 -5.338 1.494 1.00 0.00 H new ATOM 1822 N ILE D 39 7.136 -5.000 6.355 1.00 0.00 N ATOM 1823 CA ILE D 39 7.895 -5.838 7.272 1.00 0.00 C ATOM 1824 C ILE D 39 7.082 -7.066 7.676 1.00 0.00 C ATOM 1825 O ILE D 39 7.595 -8.184 7.699 1.00 0.00 O ATOM 1826 CB ILE D 39 8.263 -5.026 8.516 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.248 -3.922 8.119 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.915 -5.945 9.556 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.446 -2.952 9.289 1.00 0.00 C ATOM 0 H ILE D 39 6.934 -4.060 6.696 1.00 0.00 H new ATOM 0 HA ILE D 39 8.803 -6.175 6.772 1.00 0.00 H new ATOM 0 HB ILE D 39 7.364 -4.582 8.944 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.204 -4.361 7.834 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.872 -3.384 7.249 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.176 -5.365 10.441 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.216 -6.735 9.833 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.816 -6.390 9.134 1.00 0.00 H new ATOM 0 HD11 ILE D 39 10.148 -2.170 8.999 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.490 -2.501 9.554 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.842 -3.494 10.148 1.00 0.00 H new ATOM 1841 N LEU D 40 5.814 -6.854 7.998 1.00 0.00 N ATOM 1842 CA LEU D 40 4.949 -7.962 8.395 1.00 0.00 C ATOM 1843 C LEU D 40 4.573 -8.832 7.192 1.00 0.00 C ATOM 1844 O LEU D 40 4.581 -10.061 7.277 1.00 0.00 O ATOM 1845 CB LEU D 40 3.690 -7.412 9.057 1.00 0.00 C ATOM 1846 CG LEU D 40 4.081 -6.427 10.164 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.814 -5.831 10.780 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.895 -7.150 11.250 1.00 0.00 C ATOM 0 H LEU D 40 5.363 -5.939 7.994 1.00 0.00 H new ATOM 0 HA LEU D 40 5.493 -8.588 9.103 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.065 -6.913 8.316 1.00 0.00 H new ATOM 0 HB3 LEU D 40 3.100 -8.228 9.474 1.00 0.00 H new ATOM 0 HG LEU D 40 4.691 -5.630 9.738 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.088 -5.130 11.568 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.246 -5.308 10.010 1.00 0.00 H new ATOM 0 HD13 LEU D 40 2.204 -6.630 11.201 1.00 0.00 H new ATOM 0 HD21 LEU D 40 5.168 -6.442 12.032 1.00 0.00 H new ATOM 0 HD22 LEU D 40 4.296 -7.952 11.680 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.799 -7.569 10.808 1.00 0.00 H new ATOM 1860 N TRP D 41 4.233 -8.187 6.077 1.00 0.00 N ATOM 1861 CA TRP D 41 3.843 -8.909 4.868 1.00 0.00 C ATOM 1862 C TRP D 41 5.018 -9.681 4.271 1.00 0.00 C ATOM 1863 O TRP D 41 4.884 -10.853 3.918 1.00 0.00 O ATOM 1864 CB TRP D 41 3.280 -7.922 3.836 1.00 0.00 C ATOM 1865 CG TRP D 41 3.085 -8.611 2.521 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.998 -9.337 2.172 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.970 -8.621 1.367 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.174 -9.812 0.882 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.373 -9.389 0.345 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.224 -8.042 1.112 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.999 -9.578 -0.883 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.852 -8.226 -0.128 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.241 -8.992 -1.121 1.00 0.00 C ATOM 0 H TRP D 41 4.220 -7.171 5.986 1.00 0.00 H new ATOM 0 HA TRP D 41 3.075 -9.634 5.138 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.331 -7.517 4.188 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.961 -7.080 3.717 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.135 -9.517 2.796 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.501 -10.401 0.391 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.708 -7.451 1.876 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.525 -10.176 -1.648 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.814 -7.772 -0.315 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.730 -9.131 -2.074 1.00 0.00 H new ATOM 1884 N ILE D 42 6.161 -9.021 4.147 1.00 0.00 N ATOM 1885 CA ILE D 42 7.337 -9.664 3.573 1.00 0.00 C ATOM 1886 C ILE D 42 7.787 -10.817 4.462 1.00 0.00 C ATOM 1887 O ILE D 42 8.243 -11.850 3.972 1.00 0.00 O ATOM 1888 CB ILE D 42 8.478 -8.642 3.414 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.547 -9.205 2.470 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.121 -8.338 4.776 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.555 -8.101 2.149 1.00 0.00 C ATOM 0 H ILE D 42 6.300 -8.052 4.432 1.00 0.00 H new ATOM 0 HA ILE D 42 7.078 -10.056 2.589 1.00 0.00 H new ATOM 0 HB ILE D 42 8.064 -7.722 3.001 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.051 -10.053 2.934 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.085 -9.572 1.553 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.925 -7.614 4.645 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.369 -7.927 5.450 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.525 -9.257 5.201 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.320 -8.491 1.478 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.042 -7.268 1.669 1.00 0.00 H new ATOM 0 HD13 ILE D 42 11.023 -7.756 3.071 1.00 0.00 H new ATOM 1903 N LEU D 43 7.662 -10.631 5.772 1.00 0.00 N ATOM 1904 CA LEU D 43 8.065 -11.663 6.717 1.00 0.00 C ATOM 1905 C LEU D 43 7.246 -12.931 6.496 1.00 0.00 C ATOM 1906 O LEU D 43 7.784 -14.036 6.503 1.00 0.00 O ATOM 1907 CB LEU D 43 7.868 -11.164 8.156 1.00 0.00 C ATOM 1908 CG LEU D 43 8.278 -12.252 9.164 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.747 -12.657 8.948 1.00 0.00 C ATOM 1910 CD2 LEU D 43 8.098 -11.704 10.585 1.00 0.00 C ATOM 0 H LEU D 43 7.288 -9.783 6.199 1.00 0.00 H new ATOM 0 HA LEU D 43 9.119 -11.890 6.557 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.462 -10.265 8.320 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.825 -10.889 8.312 1.00 0.00 H new ATOM 0 HG LEU D 43 7.651 -13.132 9.020 1.00 0.00 H new ATOM 0 HD11 LEU D 43 10.022 -13.427 9.669 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.873 -13.044 7.937 1.00 0.00 H new ATOM 0 HD13 LEU D 43 10.388 -11.786 9.085 1.00 0.00 H new ATOM 0 HD21 LEU D 43 8.386 -12.467 11.308 1.00 0.00 H new ATOM 0 HD22 LEU D 43 8.726 -10.823 10.718 1.00 0.00 H new ATOM 0 HD23 LEU D 43 7.054 -11.432 10.741 1.00 0.00 H new