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= -0.288 K(o=-0.29,f=-2.8!) USER MOD Single : A 37 HIS : no HD1:sc= -9.74! C(o=-9.7!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -0.788 K(o=-0.79,f=-3.8!) USER MOD Single : B 37 HIS : no HD1:sc= -9.73! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -0.759 K(o=-0.76,f=-3.6!) USER MOD Single : C 37 HIS : no HD1:sc= -9.75! C(o=-9.8!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.778 K(o=-0.78,f=-3.7!) USER MOD Single : D 37 HIS : no HD1:sc= -9.63! C(o=-9.6!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.595 12.321 1.329 1.00 0.00 N ATOM 124 CA VAL A 28 -6.438 11.892 2.440 1.00 0.00 C ATOM 125 C VAL A 28 -7.154 10.589 2.100 1.00 0.00 C ATOM 126 O VAL A 28 -7.207 9.670 2.918 1.00 0.00 O ATOM 127 CB VAL A 28 -7.471 12.974 2.756 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.415 12.480 3.855 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.756 14.241 3.233 1.00 0.00 C ATOM 0 HA VAL A 28 -5.803 11.727 3.310 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.046 13.196 1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.150 13.253 4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.927 11.579 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.841 12.255 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.493 15.012 3.458 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.179 14.017 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.086 14.597 2.451 1.00 0.00 H new ATOM 139 N ALA A 29 -7.705 10.515 0.894 1.00 0.00 N ATOM 140 CA ALA A 29 -8.420 9.316 0.468 1.00 0.00 C ATOM 141 C ALA A 29 -7.483 8.115 0.456 1.00 0.00 C ATOM 142 O ALA A 29 -7.857 7.021 0.874 1.00 0.00 O ATOM 143 CB ALA A 29 -9.002 9.522 -0.933 1.00 0.00 C ATOM 0 H ALA A 29 -7.672 11.262 0.200 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.230 9.129 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.534 8.622 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.693 10.365 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.194 9.726 -1.636 1.00 0.00 H new ATOM 149 N ALA A 30 -6.264 8.325 -0.024 1.00 0.00 N ATOM 150 CA ALA A 30 -5.286 7.248 -0.083 1.00 0.00 C ATOM 151 C ALA A 30 -4.930 6.767 1.319 1.00 0.00 C ATOM 152 O ALA A 30 -4.770 5.568 1.550 1.00 0.00 O ATOM 153 CB ALA A 30 -4.023 7.733 -0.794 1.00 0.00 C ATOM 0 H ALA A 30 -5.931 9.223 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.721 6.417 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.295 6.923 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.274 8.047 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.598 8.575 -0.247 1.00 0.00 H new ATOM 159 N ASN A 31 -4.802 7.707 2.248 1.00 0.00 N ATOM 160 CA ASN A 31 -4.461 7.359 3.622 1.00 0.00 C ATOM 161 C ASN A 31 -5.561 6.510 4.255 1.00 0.00 C ATOM 162 O ASN A 31 -5.282 5.522 4.933 1.00 0.00 O ATOM 163 CB ASN A 31 -4.262 8.631 4.447 1.00 0.00 C ATOM 164 CG ASN A 31 -2.988 9.347 4.004 1.00 0.00 C ATOM 165 OD1 ASN A 31 -2.138 8.751 3.345 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.808 10.597 4.334 1.00 0.00 N ATOM 0 H ASN A 31 -4.927 8.705 2.078 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.536 6.782 3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.121 9.291 4.326 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.199 8.381 5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.959 11.084 4.045 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.516 11.087 4.881 1.00 0.00 H new ATOM 173 N ILE A 32 -6.811 6.904 4.027 1.00 0.00 N ATOM 174 CA ILE A 32 -7.944 6.170 4.582 1.00 0.00 C ATOM 175 C ILE A 32 -8.029 4.775 3.969 1.00 0.00 C ATOM 176 O ILE A 32 -8.253 3.787 4.671 1.00 0.00 O ATOM 177 CB ILE A 32 -9.244 6.939 4.312 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.235 8.242 5.117 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.446 6.090 4.739 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.382 9.140 4.647 1.00 0.00 C ATOM 0 H ILE A 32 -7.063 7.719 3.468 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.802 6.069 5.658 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.319 7.161 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.340 8.026 6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.282 8.755 4.989 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.367 6.640 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.453 5.159 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.374 5.866 5.803 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.376 10.067 5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.256 9.366 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.332 8.626 4.798 1.00 0.00 H new ATOM 192 N ILE A 33 -7.857 4.705 2.653 1.00 0.00 N ATOM 193 CA ILE A 33 -7.919 3.430 1.947 1.00 0.00 C ATOM 194 C ILE A 33 -6.793 2.504 2.402 1.00 0.00 C ATOM 195 O ILE A 33 -7.009 1.313 2.621 1.00 0.00 O ATOM 196 CB ILE A 33 -7.821 3.672 0.437 1.00 0.00 C ATOM 197 CG1 ILE A 33 -9.082 4.392 -0.046 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.699 2.332 -0.296 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.849 4.922 -1.461 1.00 0.00 C ATOM 0 H ILE A 33 -7.674 5.512 2.056 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.870 2.950 2.176 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.942 4.283 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.931 3.709 -0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.326 5.214 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.630 2.509 -1.369 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.804 1.811 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.577 1.721 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.745 5.436 -1.809 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.010 5.618 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.625 4.090 -2.129 1.00 0.00 H new ATOM 211 N GLY A 34 -5.589 3.056 2.535 1.00 0.00 N ATOM 212 CA GLY A 34 -4.443 2.258 2.959 1.00 0.00 C ATOM 213 C GLY A 34 -4.686 1.645 4.334 1.00 0.00 C ATOM 214 O GLY A 34 -4.443 0.457 4.545 1.00 0.00 O ATOM 0 H GLY A 34 -5.384 4.039 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.256 1.468 2.232 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.550 2.883 2.987 1.00 0.00 H new ATOM 218 N ILE A 35 -5.169 2.461 5.263 1.00 0.00 N ATOM 219 CA ILE A 35 -5.448 1.988 6.614 1.00 0.00 C ATOM 220 C ILE A 35 -6.560 0.938 6.591 1.00 0.00 C ATOM 221 O ILE A 35 -6.481 -0.079 7.280 1.00 0.00 O ATOM 222 CB ILE A 35 -5.856 3.163 7.512 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.652 4.089 7.713 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.321 2.635 8.871 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.110 5.393 8.374 1.00 0.00 C ATOM 0 H ILE A 35 -5.375 3.448 5.108 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.543 1.532 7.016 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.670 3.714 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.903 3.598 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.180 4.302 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.610 3.472 9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.176 1.973 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.509 2.083 9.344 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.252 6.050 8.516 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.843 5.886 7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.561 5.172 9.341 1.00 0.00 H new ATOM 237 N LEU A 36 -7.597 1.202 5.806 1.00 0.00 N ATOM 238 CA LEU A 36 -8.728 0.284 5.710 1.00 0.00 C ATOM 239 C LEU A 36 -8.257 -1.071 5.172 1.00 0.00 C ATOM 240 O LEU A 36 -8.683 -2.122 5.649 1.00 0.00 O ATOM 241 CB LEU A 36 -9.804 0.888 4.788 1.00 0.00 C ATOM 242 CG LEU A 36 -11.203 0.386 5.181 1.00 0.00 C ATOM 243 CD1 LEU A 36 -12.240 0.988 4.226 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.267 -1.149 5.110 1.00 0.00 C ATOM 0 H LEU A 36 -7.680 2.039 5.229 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.158 0.131 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.773 1.976 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.594 0.620 3.752 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.415 0.695 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.234 0.636 4.500 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.209 2.075 4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.015 0.682 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.265 -1.485 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.048 -1.476 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.534 -1.576 5.794 1.00 0.00 H new ATOM 256 N HIS A 37 -7.366 -1.039 4.184 1.00 0.00 N ATOM 257 CA HIS A 37 -6.846 -2.275 3.607 1.00 0.00 C ATOM 258 C HIS A 37 -6.175 -3.113 4.687 1.00 0.00 C ATOM 259 O HIS A 37 -6.339 -4.333 4.730 1.00 0.00 O ATOM 260 CB HIS A 37 -5.826 -1.964 2.511 1.00 0.00 C ATOM 261 CG HIS A 37 -5.339 -3.256 1.907 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.533 -3.570 0.574 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.680 -4.330 2.447 1.00 0.00 C ATOM 264 CE1 HIS A 37 -5.003 -4.788 0.362 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.469 -5.295 1.472 1.00 0.00 N ATOM 0 H HIS A 37 -6.994 -0.184 3.771 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.680 -2.830 3.177 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.279 -1.338 1.743 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.988 -1.404 2.926 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.371 -4.413 3.478 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -5.010 -5.294 -0.592 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -4.005 -6.197 1.582 1.00 0.00 H new ATOM 273 N LEU A 38 -5.418 -2.453 5.556 1.00 0.00 N ATOM 274 CA LEU A 38 -4.719 -3.155 6.630 1.00 0.00 C ATOM 275 C LEU A 38 -5.704 -3.865 7.550 1.00 0.00 C ATOM 276 O LEU A 38 -5.436 -4.974 8.001 1.00 0.00 O ATOM 277 CB LEU A 38 -3.851 -2.160 7.438 1.00 0.00 C ATOM 278 CG LEU A 38 -2.426 -2.091 6.845 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.755 -0.775 7.240 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.579 -3.264 7.377 1.00 0.00 C ATOM 0 H LEU A 38 -5.272 -1.444 5.541 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.072 -3.909 6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.308 -1.171 7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.804 -2.472 8.481 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.499 -2.152 5.759 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.751 -0.737 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.341 0.061 6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.693 -0.710 8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.576 -3.209 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.519 -3.206 8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.043 -4.208 7.089 1.00 0.00 H new ATOM 292 N ILE A 39 -6.830 -3.229 7.837 1.00 0.00 N ATOM 293 CA ILE A 39 -7.817 -3.835 8.720 1.00 0.00 C ATOM 294 C ILE A 39 -8.349 -5.134 8.113 1.00 0.00 C ATOM 295 O ILE A 39 -8.479 -6.144 8.804 1.00 0.00 O ATOM 296 CB ILE A 39 -8.973 -2.859 8.947 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.460 -1.657 9.743 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.089 -3.554 9.734 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.526 -0.557 9.780 1.00 0.00 C ATOM 0 H ILE A 39 -7.081 -2.308 7.478 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.342 -4.063 9.674 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.366 -2.527 7.986 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.208 -1.964 10.758 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.546 -1.274 9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.911 -2.856 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.449 -4.415 9.171 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.702 -3.886 10.698 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.151 0.294 10.349 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.757 -0.240 8.763 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.429 -0.941 10.255 1.00 0.00 H new ATOM 311 N LEU A 40 -8.660 -5.103 6.827 1.00 0.00 N ATOM 312 CA LEU A 40 -9.173 -6.291 6.155 1.00 0.00 C ATOM 313 C LEU A 40 -8.067 -7.328 5.941 1.00 0.00 C ATOM 314 O LEU A 40 -8.281 -8.525 6.140 1.00 0.00 O ATOM 315 CB LEU A 40 -9.788 -5.896 4.813 1.00 0.00 C ATOM 316 CG LEU A 40 -10.791 -4.757 5.028 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.386 -4.345 3.681 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.917 -5.218 5.971 1.00 0.00 C ATOM 0 H LEU A 40 -8.569 -4.280 6.232 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.937 -6.741 6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.007 -5.582 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.287 -6.754 4.362 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.278 -3.907 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.100 -3.535 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.589 -4.008 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.894 -5.198 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.625 -4.402 6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.433 -6.072 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.491 -5.507 6.932 1.00 0.00 H new ATOM 330 N TRP A 41 -6.891 -6.864 5.521 1.00 0.00 N ATOM 331 CA TRP A 41 -5.763 -7.759 5.267 1.00 0.00 C ATOM 332 C TRP A 41 -5.231 -8.388 6.558 1.00 0.00 C ATOM 333 O TRP A 41 -4.974 -9.591 6.607 1.00 0.00 O ATOM 334 CB TRP A 41 -4.644 -6.989 4.552 1.00 0.00 C ATOM 335 CG TRP A 41 -3.409 -7.834 4.465 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.154 -8.754 3.507 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.246 -7.824 5.339 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.918 -9.324 3.753 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.318 -8.779 4.869 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.911 -7.086 6.487 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -0.105 -8.995 5.514 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.684 -7.299 7.134 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.214 -8.251 6.648 1.00 0.00 C ATOM 0 H TRP A 41 -6.695 -5.878 5.350 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.115 -8.571 4.631 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.970 -6.704 3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.425 -6.067 5.090 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.808 -9.003 2.685 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.501 -10.057 3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.601 -6.351 6.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.586 -9.735 5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.433 -6.723 8.013 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.156 -8.411 7.151 1.00 0.00 H new ATOM 354 N ILE A 42 -5.050 -7.573 7.593 1.00 0.00 N ATOM 355 CA ILE A 42 -4.528 -8.078 8.861 1.00 0.00 C ATOM 356 C ILE A 42 -5.509 -9.073 9.479 1.00 0.00 C ATOM 357 O ILE A 42 -5.108 -10.110 10.010 1.00 0.00 O ATOM 358 CB ILE A 42 -4.277 -6.909 9.829 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.397 -7.377 10.994 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.606 -6.383 10.387 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.979 -6.162 11.827 1.00 0.00 C ATOM 0 H ILE A 42 -5.253 -6.574 7.582 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.584 -8.591 8.674 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.774 -6.111 9.283 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.942 -8.089 11.614 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.516 -7.894 10.615 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.412 -5.556 11.070 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.233 -6.036 9.566 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.118 -7.183 10.922 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.353 -6.488 12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.419 -5.467 11.201 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.867 -5.665 12.216 1.00 0.00 H new ATOM 373 N LEU A 43 -6.794 -8.750 9.401 1.00 0.00 N ATOM 374 CA LEU A 43 -7.829 -9.619 9.949 1.00 0.00 C ATOM 375 C LEU A 43 -7.840 -10.964 9.226 1.00 0.00 C ATOM 376 O LEU A 43 -8.007 -12.009 9.853 1.00 0.00 O ATOM 377 CB LEU A 43 -9.203 -8.941 9.811 1.00 0.00 C ATOM 378 CG LEU A 43 -9.378 -7.866 10.900 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.626 -7.028 10.592 1.00 0.00 C ATOM 380 CD2 LEU A 43 -9.529 -8.522 12.294 1.00 0.00 C ATOM 0 H LEU A 43 -7.144 -7.896 8.966 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.615 -9.794 11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.295 -8.488 8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.994 -9.686 9.895 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.494 -7.228 10.908 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -10.752 -6.266 11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.511 -6.547 9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.503 -7.675 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.651 -7.746 13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.403 -9.173 12.297 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.639 -9.109 12.518 1.00 0.00 H new ATOM 633 N VAL B 28 -0.371 11.372 -7.240 1.00 0.00 N ATOM 634 CA VAL B 28 -1.519 10.913 -8.015 1.00 0.00 C ATOM 635 C VAL B 28 -1.296 9.489 -8.516 1.00 0.00 C ATOM 636 O VAL B 28 -2.190 8.647 -8.434 1.00 0.00 O ATOM 637 CB VAL B 28 -1.743 11.844 -9.209 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.883 11.304 -10.075 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.107 13.242 -8.705 1.00 0.00 C ATOM 0 HA VAL B 28 -2.398 10.925 -7.370 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.830 11.896 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.041 11.968 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.625 10.308 -10.436 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.796 11.250 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.267 13.905 -9.555 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -3.019 13.188 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.295 13.630 -8.090 1.00 0.00 H new ATOM 649 N ALA B 29 -0.101 9.226 -9.036 1.00 0.00 N ATOM 650 CA ALA B 29 0.217 7.898 -9.547 1.00 0.00 C ATOM 651 C ALA B 29 0.127 6.862 -8.433 1.00 0.00 C ATOM 652 O ALA B 29 -0.386 5.764 -8.636 1.00 0.00 O ATOM 653 CB ALA B 29 1.629 7.886 -10.137 1.00 0.00 C ATOM 0 H ALA B 29 0.655 9.906 -9.114 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.505 7.649 -10.325 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.857 6.890 -10.516 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.689 8.607 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.349 8.153 -9.363 1.00 0.00 H new ATOM 659 N ALA B 30 0.627 7.219 -7.258 1.00 0.00 N ATOM 660 CA ALA B 30 0.595 6.308 -6.123 1.00 0.00 C ATOM 661 C ALA B 30 -0.842 6.010 -5.712 1.00 0.00 C ATOM 662 O ALA B 30 -1.178 4.876 -5.369 1.00 0.00 O ATOM 663 CB ALA B 30 1.347 6.921 -4.941 1.00 0.00 C ATOM 0 H ALA B 30 1.056 8.124 -7.067 1.00 0.00 H new ATOM 0 HA ALA B 30 1.076 5.376 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.319 6.233 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.383 7.105 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.876 7.863 -4.659 1.00 0.00 H new ATOM 669 N ASN B 31 -1.688 7.034 -5.745 1.00 0.00 N ATOM 670 CA ASN B 31 -3.086 6.866 -5.367 1.00 0.00 C ATOM 671 C ASN B 31 -3.792 5.913 -6.327 1.00 0.00 C ATOM 672 O ASN B 31 -4.553 5.044 -5.905 1.00 0.00 O ATOM 673 CB ASN B 31 -3.794 8.220 -5.382 1.00 0.00 C ATOM 674 CG ASN B 31 -3.278 9.090 -4.239 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.645 8.585 -3.311 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.510 10.373 -4.252 1.00 0.00 N ATOM 0 H ASN B 31 -1.433 7.981 -6.027 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.123 6.445 -4.362 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.623 8.719 -6.336 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.870 8.078 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.167 10.961 -3.492 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -4.034 10.789 -5.022 1.00 0.00 H new ATOM 683 N ILE B 32 -3.537 6.085 -7.622 1.00 0.00 N ATOM 684 CA ILE B 32 -4.154 5.233 -8.632 1.00 0.00 C ATOM 685 C ILE B 32 -3.666 3.793 -8.491 1.00 0.00 C ATOM 686 O ILE B 32 -4.452 2.848 -8.565 1.00 0.00 O ATOM 687 CB ILE B 32 -3.824 5.762 -10.032 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.511 7.114 -10.238 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.326 4.774 -11.090 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.970 7.777 -11.506 1.00 0.00 C ATOM 0 H ILE B 32 -2.912 6.801 -7.993 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.234 5.248 -8.487 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.744 5.878 -10.128 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.589 6.977 -10.319 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.336 7.757 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.089 5.154 -12.084 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.841 3.809 -10.946 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.405 4.656 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.460 8.740 -11.651 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.895 7.929 -11.407 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.168 7.136 -12.365 1.00 0.00 H new ATOM 702 N ILE B 33 -2.361 3.637 -8.295 1.00 0.00 N ATOM 703 CA ILE B 33 -1.768 2.314 -8.150 1.00 0.00 C ATOM 704 C ILE B 33 -2.301 1.619 -6.898 1.00 0.00 C ATOM 705 O ILE B 33 -2.624 0.430 -6.927 1.00 0.00 O ATOM 706 CB ILE B 33 -0.242 2.433 -8.073 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.301 2.904 -9.426 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.368 1.070 -7.739 1.00 0.00 C ATOM 709 CD1 ILE B 33 1.757 3.341 -9.260 1.00 0.00 C ATOM 0 H ILE B 33 -1.696 4.408 -8.233 1.00 0.00 H new ATOM 0 HA ILE B 33 -2.039 1.715 -9.019 1.00 0.00 H new ATOM 0 HB ILE B 33 0.022 3.151 -7.296 1.00 0.00 H new ATOM 0 HG12 ILE B 33 0.232 2.100 -10.159 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.299 3.732 -9.804 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.453 1.160 -7.685 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.015 0.725 -6.779 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.101 0.352 -8.515 1.00 0.00 H new ATOM 0 HD11 ILE B 33 2.148 3.677 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.812 4.158 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE B 33 2.351 2.500 -8.901 1.00 0.00 H new ATOM 721 N GLY B 34 -2.382 2.360 -5.797 1.00 0.00 N ATOM 722 CA GLY B 34 -2.870 1.793 -4.544 1.00 0.00 C ATOM 723 C GLY B 34 -4.295 1.271 -4.703 1.00 0.00 C ATOM 724 O GLY B 34 -4.608 0.157 -4.280 1.00 0.00 O ATOM 0 H GLY B 34 -2.119 3.344 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.214 0.982 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.841 2.551 -3.761 1.00 0.00 H new ATOM 728 N ILE B 35 -5.150 2.078 -5.321 1.00 0.00 N ATOM 729 CA ILE B 35 -6.538 1.683 -5.539 1.00 0.00 C ATOM 730 C ILE B 35 -6.608 0.474 -6.470 1.00 0.00 C ATOM 731 O ILE B 35 -7.384 -0.455 -6.241 1.00 0.00 O ATOM 732 CB ILE B 35 -7.329 2.853 -6.140 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.448 3.970 -5.100 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.732 2.376 -6.531 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.992 5.237 -5.766 1.00 0.00 C ATOM 0 H ILE B 35 -4.910 3.003 -5.678 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.977 1.411 -4.579 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.811 3.226 -7.024 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -8.110 3.659 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.474 4.171 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.293 3.207 -6.958 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.652 1.576 -7.267 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.250 2.005 -5.647 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.076 6.031 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.313 5.552 -6.559 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.975 5.032 -6.190 1.00 0.00 H new ATOM 747 N LEU B 36 -5.806 0.502 -7.528 1.00 0.00 N ATOM 748 CA LEU B 36 -5.794 -0.587 -8.498 1.00 0.00 C ATOM 749 C LEU B 36 -5.375 -1.891 -7.815 1.00 0.00 C ATOM 750 O LEU B 36 -5.942 -2.950 -8.077 1.00 0.00 O ATOM 751 CB LEU B 36 -4.824 -0.240 -9.646 1.00 0.00 C ATOM 752 CG LEU B 36 -5.264 -0.919 -10.954 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.263 -0.572 -12.059 1.00 0.00 C ATOM 754 CD2 LEU B 36 -5.328 -2.444 -10.774 1.00 0.00 C ATOM 0 H LEU B 36 -5.159 1.262 -7.736 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.795 -0.721 -8.909 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.789 0.841 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.815 -0.560 -9.386 1.00 0.00 H new ATOM 0 HG LEU B 36 -6.257 -0.561 -11.226 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.568 -1.050 -12.990 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.235 0.509 -12.198 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.272 -0.927 -11.777 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -5.641 -2.908 -11.709 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.343 -2.819 -10.495 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -6.045 -2.688 -9.990 1.00 0.00 H new ATOM 766 N HIS B 37 -4.385 -1.806 -6.929 1.00 0.00 N ATOM 767 CA HIS B 37 -3.917 -2.988 -6.215 1.00 0.00 C ATOM 768 C HIS B 37 -5.063 -3.615 -5.433 1.00 0.00 C ATOM 769 O HIS B 37 -5.212 -4.835 -5.403 1.00 0.00 O ATOM 770 CB HIS B 37 -2.794 -2.618 -5.246 1.00 0.00 C ATOM 771 CG HIS B 37 -2.303 -3.866 -4.561 1.00 0.00 C ATOM 772 ND1 HIS B 37 -1.008 -4.329 -4.699 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.933 -4.768 -3.740 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.903 -5.463 -3.983 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.048 -5.774 -3.377 1.00 0.00 N ATOM 0 H HIS B 37 -3.898 -0.942 -6.691 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.539 -3.702 -6.947 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.976 -2.138 -5.784 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.155 -1.901 -4.508 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.964 -4.704 -3.424 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.000 -6.050 -3.908 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.234 -6.577 -2.776 1.00 0.00 H new ATOM 783 N LEU B 38 -5.871 -2.771 -4.797 1.00 0.00 N ATOM 784 CA LEU B 38 -6.999 -3.258 -4.010 1.00 0.00 C ATOM 785 C LEU B 38 -7.980 -4.032 -4.882 1.00 0.00 C ATOM 786 O LEU B 38 -8.526 -5.043 -4.449 1.00 0.00 O ATOM 787 CB LEU B 38 -7.716 -2.073 -3.318 1.00 0.00 C ATOM 788 CG LEU B 38 -7.118 -1.831 -1.914 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.392 -0.395 -1.465 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.751 -2.804 -0.902 1.00 0.00 C ATOM 0 H LEU B 38 -5.767 -1.756 -4.811 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.616 -3.936 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.614 -1.173 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.783 -2.282 -3.235 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.042 -1.997 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.966 -0.236 -0.474 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.938 0.300 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.468 -0.224 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.326 -2.629 0.086 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.828 -2.643 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.548 -3.830 -1.208 1.00 0.00 H new ATOM 802 N ILE B 39 -8.214 -3.558 -6.094 1.00 0.00 N ATOM 803 CA ILE B 39 -9.149 -4.233 -6.985 1.00 0.00 C ATOM 804 C ILE B 39 -8.660 -5.647 -7.299 1.00 0.00 C ATOM 805 O ILE B 39 -9.435 -6.603 -7.277 1.00 0.00 O ATOM 806 CB ILE B 39 -9.294 -3.435 -8.281 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.980 -2.103 -7.972 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.142 -4.225 -9.284 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.924 -1.184 -9.198 1.00 0.00 C ATOM 0 H ILE B 39 -7.778 -2.721 -6.482 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.118 -4.300 -6.491 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.309 -3.254 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -11.017 -2.277 -7.686 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.492 -1.622 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.243 -3.652 -10.206 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.658 -5.177 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.130 -4.408 -8.861 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.415 -0.239 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.884 -0.997 -9.465 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.433 -1.662 -10.035 1.00 0.00 H new ATOM 821 N LEU B 40 -7.378 -5.778 -7.598 1.00 0.00 N ATOM 822 CA LEU B 40 -6.812 -7.085 -7.912 1.00 0.00 C ATOM 823 C LEU B 40 -6.687 -7.951 -6.653 1.00 0.00 C ATOM 824 O LEU B 40 -6.988 -9.143 -6.680 1.00 0.00 O ATOM 825 CB LEU B 40 -5.442 -6.908 -8.565 1.00 0.00 C ATOM 826 CG LEU B 40 -5.561 -5.926 -9.738 1.00 0.00 C ATOM 827 CD1 LEU B 40 -4.183 -5.731 -10.375 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.544 -6.474 -10.788 1.00 0.00 C ATOM 0 H LEU B 40 -6.713 -5.005 -7.631 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.483 -7.593 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.724 -6.534 -7.835 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.068 -7.869 -8.917 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.934 -4.970 -9.371 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -4.263 -5.034 -11.209 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.492 -5.331 -9.633 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.811 -6.689 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.621 -5.770 -11.616 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -6.182 -7.433 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.525 -6.608 -10.333 1.00 0.00 H new ATOM 840 N TRP B 41 -6.226 -7.344 -5.560 1.00 0.00 N ATOM 841 CA TRP B 41 -6.048 -8.070 -4.301 1.00 0.00 C ATOM 842 C TRP B 41 -7.387 -8.493 -3.692 1.00 0.00 C ATOM 843 O TRP B 41 -7.540 -9.633 -3.252 1.00 0.00 O ATOM 844 CB TRP B 41 -5.266 -7.199 -3.309 1.00 0.00 C ATOM 845 CG TRP B 41 -5.249 -7.840 -1.954 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.371 -8.783 -1.546 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.116 -7.571 -0.815 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.662 -9.130 -0.239 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.725 -8.407 0.257 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.195 -6.698 -0.613 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.385 -8.371 1.484 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.854 -6.656 0.624 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.449 -7.491 1.668 1.00 0.00 C ATOM 0 H TRP B 41 -5.970 -6.357 -5.519 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.486 -8.979 -4.514 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.245 -7.058 -3.665 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.721 -6.211 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.572 -9.198 -2.143 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.152 -9.835 0.293 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.521 -6.053 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -6.073 -9.022 2.288 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.679 -5.975 0.770 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.961 -7.454 2.618 1.00 0.00 H new ATOM 864 N ILE B 42 -8.347 -7.574 -3.655 1.00 0.00 N ATOM 865 CA ILE B 42 -9.651 -7.879 -3.075 1.00 0.00 C ATOM 866 C ILE B 42 -10.356 -8.959 -3.895 1.00 0.00 C ATOM 867 O ILE B 42 -10.974 -9.869 -3.342 1.00 0.00 O ATOM 868 CB ILE B 42 -10.513 -6.606 -3.020 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.713 -6.828 -2.092 1.00 0.00 C ATOM 870 CG2 ILE B 42 -11.025 -6.249 -4.422 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.434 -5.497 -1.879 1.00 0.00 C ATOM 0 H ILE B 42 -8.250 -6.624 -4.014 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.506 -8.251 -2.061 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.899 -5.789 -2.640 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.394 -7.559 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.379 -7.232 -1.136 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.633 -5.346 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.178 -6.077 -5.086 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.628 -7.070 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.289 -5.648 -1.220 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.749 -4.780 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.779 -5.113 -2.839 1.00 0.00 H new ATOM 883 N LEU B 43 -10.252 -8.850 -5.214 1.00 0.00 N ATOM 884 CA LEU B 43 -10.877 -9.818 -6.107 1.00 0.00 C ATOM 885 C LEU B 43 -10.275 -11.207 -5.899 1.00 0.00 C ATOM 886 O LEU B 43 -10.991 -12.208 -5.906 1.00 0.00 O ATOM 887 CB LEU B 43 -10.685 -9.380 -7.568 1.00 0.00 C ATOM 888 CG LEU B 43 -11.679 -8.255 -7.921 1.00 0.00 C ATOM 889 CD1 LEU B 43 -11.300 -7.653 -9.281 1.00 0.00 C ATOM 890 CD2 LEU B 43 -13.124 -8.804 -7.983 1.00 0.00 C ATOM 0 H LEU B 43 -9.743 -8.104 -5.688 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.942 -9.863 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -9.663 -9.033 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -10.835 -10.230 -8.233 1.00 0.00 H new ATOM 0 HG LEU B 43 -11.632 -7.488 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.000 -6.857 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.290 -7.245 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -11.340 -8.428 -10.046 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -13.810 -7.995 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -13.186 -9.581 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -13.396 -9.223 -7.014 1.00 0.00 H new ATOM 1143 N VAL C 28 8.373 10.390 -2.081 1.00 0.00 N ATOM 1144 CA VAL C 28 9.071 9.679 -3.146 1.00 0.00 C ATOM 1145 C VAL C 28 9.435 8.266 -2.704 1.00 0.00 C ATOM 1146 O VAL C 28 9.249 7.306 -3.452 1.00 0.00 O ATOM 1147 CB VAL C 28 10.344 10.440 -3.530 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.124 9.640 -4.577 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.969 11.805 -4.106 1.00 0.00 C ATOM 0 HA VAL C 28 8.408 9.615 -4.009 1.00 0.00 H new ATOM 0 HB VAL C 28 10.964 10.578 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.029 10.183 -4.849 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.394 8.668 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.505 9.500 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.875 12.346 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.347 11.668 -4.991 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.417 12.376 -3.359 1.00 0.00 H new ATOM 1159 N ALA C 29 9.957 8.143 -1.487 1.00 0.00 N ATOM 1160 CA ALA C 29 10.346 6.837 -0.968 1.00 0.00 C ATOM 1161 C ALA C 29 9.135 5.917 -0.880 1.00 0.00 C ATOM 1162 O ALA C 29 9.216 4.738 -1.214 1.00 0.00 O ATOM 1163 CB ALA C 29 10.967 6.988 0.424 1.00 0.00 C ATOM 0 H ALA C 29 10.119 8.922 -0.849 1.00 0.00 H new ATOM 0 HA ALA C 29 11.078 6.402 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.254 6.007 0.803 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.849 7.625 0.362 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.240 7.439 1.100 1.00 0.00 H new ATOM 1169 N ALA C 30 8.011 6.464 -0.433 1.00 0.00 N ATOM 1170 CA ALA C 30 6.792 5.678 -0.309 1.00 0.00 C ATOM 1171 C ALA C 30 6.319 5.200 -1.676 1.00 0.00 C ATOM 1172 O ALA C 30 5.857 4.068 -1.822 1.00 0.00 O ATOM 1173 CB ALA C 30 5.699 6.518 0.348 1.00 0.00 C ATOM 0 H ALA C 30 7.919 7.440 -0.153 1.00 0.00 H new ATOM 0 HA ALA C 30 7.004 4.807 0.311 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.789 5.925 0.438 1.00 0.00 H new ATOM 0 HB2 ALA C 30 6.027 6.832 1.339 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.499 7.398 -0.264 1.00 0.00 H new ATOM 1179 N ASN C 31 6.429 6.070 -2.674 1.00 0.00 N ATOM 1180 CA ASN C 31 6.000 5.720 -4.022 1.00 0.00 C ATOM 1181 C ASN C 31 6.846 4.576 -4.578 1.00 0.00 C ATOM 1182 O ASN C 31 6.321 3.643 -5.186 1.00 0.00 O ATOM 1183 CB ASN C 31 6.127 6.938 -4.938 1.00 0.00 C ATOM 1184 CG ASN C 31 5.083 7.983 -4.559 1.00 0.00 C ATOM 1185 OD1 ASN C 31 4.119 7.675 -3.859 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.219 9.210 -4.982 1.00 0.00 N ATOM 0 H ASN C 31 6.807 7.012 -2.577 1.00 0.00 H new ATOM 0 HA ASN C 31 4.959 5.398 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN C 31 7.127 7.364 -4.855 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.993 6.638 -5.977 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.526 9.915 -4.732 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.019 9.464 -5.562 1.00 0.00 H new ATOM 1193 N ILE C 32 8.156 4.656 -4.365 1.00 0.00 N ATOM 1194 CA ILE C 32 9.064 3.621 -4.848 1.00 0.00 C ATOM 1195 C ILE C 32 8.796 2.299 -4.134 1.00 0.00 C ATOM 1196 O ILE C 32 8.756 1.239 -4.760 1.00 0.00 O ATOM 1197 CB ILE C 32 10.515 4.052 -4.620 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.834 5.251 -5.516 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.460 2.897 -4.969 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.174 5.862 -5.100 1.00 0.00 C ATOM 0 H ILE C 32 8.610 5.420 -3.865 1.00 0.00 H new ATOM 0 HA ILE C 32 8.895 3.481 -5.916 1.00 0.00 H new ATOM 0 HB ILE C 32 10.649 4.326 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.874 4.937 -6.559 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.043 5.997 -5.438 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.492 3.209 -4.805 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.235 2.039 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.326 2.621 -6.015 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.399 6.716 -5.740 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.117 6.191 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.962 5.115 -5.201 1.00 0.00 H new ATOM 1212 N ILE C 33 8.616 2.371 -2.820 1.00 0.00 N ATOM 1213 CA ILE C 33 8.358 1.178 -2.021 1.00 0.00 C ATOM 1214 C ILE C 33 7.031 0.537 -2.422 1.00 0.00 C ATOM 1215 O ILE C 33 6.938 -0.682 -2.553 1.00 0.00 O ATOM 1216 CB ILE C 33 8.334 1.546 -0.532 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.738 1.958 -0.084 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.882 0.337 0.290 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.655 2.632 1.287 1.00 0.00 C ATOM 0 H ILE C 33 8.644 3.240 -2.286 1.00 0.00 H new ATOM 0 HA ILE C 33 9.156 0.458 -2.202 1.00 0.00 H new ATOM 0 HB ILE C 33 7.641 2.373 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE C 33 10.387 1.084 -0.033 1.00 0.00 H new ATOM 0 HG13 ILE C 33 10.178 2.640 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.866 0.601 1.347 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.882 0.037 -0.024 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.575 -0.489 0.133 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.654 2.927 1.609 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.020 3.515 1.220 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.232 1.935 2.010 1.00 0.00 H new ATOM 1231 N GLY C 34 6.008 1.363 -2.612 1.00 0.00 N ATOM 1232 CA GLY C 34 4.694 0.856 -2.992 1.00 0.00 C ATOM 1233 C GLY C 34 4.763 0.101 -4.315 1.00 0.00 C ATOM 1234 O GLY C 34 4.227 -0.999 -4.444 1.00 0.00 O ATOM 0 H GLY C 34 6.061 2.377 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.315 0.196 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.991 1.685 -3.078 1.00 0.00 H new ATOM 1238 N ILE C 35 5.434 0.697 -5.295 1.00 0.00 N ATOM 1239 CA ILE C 35 5.575 0.071 -6.605 1.00 0.00 C ATOM 1240 C ILE C 35 6.382 -1.223 -6.492 1.00 0.00 C ATOM 1241 O ILE C 35 6.044 -2.235 -7.105 1.00 0.00 O ATOM 1242 CB ILE C 35 6.265 1.034 -7.578 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.336 2.217 -7.863 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.573 0.306 -8.891 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.107 3.309 -8.610 1.00 0.00 C ATOM 0 H ILE C 35 5.886 1.607 -5.208 1.00 0.00 H new ATOM 0 HA ILE C 35 4.582 -0.167 -6.985 1.00 0.00 H new ATOM 0 HB ILE C 35 7.194 1.393 -7.135 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.484 1.888 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.938 2.613 -6.929 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.063 0.992 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.231 -0.540 -8.692 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.644 -0.053 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.443 4.150 -8.812 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.944 3.646 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.483 2.910 -9.552 1.00 0.00 H new ATOM 1257 N LEU C 36 7.460 -1.174 -5.713 1.00 0.00 N ATOM 1258 CA LEU C 36 8.320 -2.340 -5.538 1.00 0.00 C ATOM 1259 C LEU C 36 7.524 -3.487 -4.908 1.00 0.00 C ATOM 1260 O LEU C 36 7.666 -4.643 -5.302 1.00 0.00 O ATOM 1261 CB LEU C 36 9.520 -1.962 -4.647 1.00 0.00 C ATOM 1262 CG LEU C 36 10.745 -2.829 -4.986 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.904 -2.440 -4.064 1.00 0.00 C ATOM 1264 CD2 LEU C 36 10.416 -4.319 -4.803 1.00 0.00 C ATOM 0 H LEU C 36 7.757 -0.346 -5.197 1.00 0.00 H new ATOM 0 HA LEU C 36 8.689 -2.670 -6.509 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.764 -0.909 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.255 -2.092 -3.598 1.00 0.00 H new ATOM 0 HG LEU C 36 11.025 -2.661 -6.026 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.776 -3.050 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU C 36 12.148 -1.388 -4.210 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.614 -2.605 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.293 -4.918 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU C 36 10.127 -4.503 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU C 36 9.594 -4.594 -5.464 1.00 0.00 H new ATOM 1276 N HIS C 37 6.675 -3.157 -3.937 1.00 0.00 N ATOM 1277 CA HIS C 37 5.863 -4.174 -3.278 1.00 0.00 C ATOM 1278 C HIS C 37 4.994 -4.892 -4.302 1.00 0.00 C ATOM 1279 O HIS C 37 4.842 -6.113 -4.254 1.00 0.00 O ATOM 1280 CB HIS C 37 4.963 -3.535 -2.219 1.00 0.00 C ATOM 1281 CG HIS C 37 4.170 -4.613 -1.529 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.290 -4.873 -0.176 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.253 -5.520 -2.000 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.468 -5.896 0.115 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.811 -6.327 -0.960 1.00 0.00 N ATOM 0 H HIS C 37 6.533 -2.207 -3.594 1.00 0.00 H new ATOM 0 HA HIS C 37 6.532 -4.889 -2.798 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.566 -2.989 -1.493 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.291 -2.813 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.925 -5.595 -3.026 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.354 -6.318 1.103 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.131 -7.085 -1.009 1.00 0.00 H new ATOM 1293 N LEU C 38 4.423 -4.128 -5.226 1.00 0.00 N ATOM 1294 CA LEU C 38 3.562 -4.705 -6.256 1.00 0.00 C ATOM 1295 C LEU C 38 4.330 -5.707 -7.109 1.00 0.00 C ATOM 1296 O LEU C 38 3.787 -6.743 -7.481 1.00 0.00 O ATOM 1297 CB LEU C 38 2.970 -3.585 -7.144 1.00 0.00 C ATOM 1298 CG LEU C 38 1.616 -3.109 -6.575 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.302 -1.697 -7.072 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.493 -4.062 -7.031 1.00 0.00 C ATOM 0 H LEU C 38 4.538 -3.116 -5.285 1.00 0.00 H new ATOM 0 HA LEU C 38 2.746 -5.234 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.665 -2.747 -7.196 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.836 -3.951 -8.162 1.00 0.00 H new ATOM 0 HG LEU C 38 1.678 -3.105 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.345 -1.372 -6.664 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.086 -1.014 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.251 -1.697 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.460 -3.721 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.443 -4.071 -8.120 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.701 -5.069 -6.670 1.00 0.00 H new ATOM 1312 N ILE C 39 5.577 -5.400 -7.427 1.00 0.00 N ATOM 1313 CA ILE C 39 6.372 -6.302 -8.251 1.00 0.00 C ATOM 1314 C ILE C 39 6.562 -7.644 -7.547 1.00 0.00 C ATOM 1315 O ILE C 39 6.426 -8.703 -8.158 1.00 0.00 O ATOM 1316 CB ILE C 39 7.737 -5.668 -8.534 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.541 -4.437 -9.423 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.636 -6.679 -9.255 1.00 0.00 C ATOM 1319 CD1 ILE C 39 8.852 -3.650 -9.525 1.00 0.00 C ATOM 0 H ILE C 39 6.056 -4.549 -7.134 1.00 0.00 H new ATOM 0 HA ILE C 39 5.847 -6.474 -9.191 1.00 0.00 H new ATOM 0 HB ILE C 39 8.206 -5.376 -7.595 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.213 -4.744 -10.416 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.757 -3.802 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.607 -6.225 -9.455 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.770 -7.560 -8.627 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.172 -6.972 -10.197 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.703 -2.776 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.162 -3.328 -8.531 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.625 -4.285 -9.958 1.00 0.00 H new ATOM 1331 N LEU C 40 6.879 -7.599 -6.261 1.00 0.00 N ATOM 1332 CA LEU C 40 7.077 -8.825 -5.497 1.00 0.00 C ATOM 1333 C LEU C 40 5.745 -9.530 -5.227 1.00 0.00 C ATOM 1334 O LEU C 40 5.648 -10.753 -5.330 1.00 0.00 O ATOM 1335 CB LEU C 40 7.780 -8.501 -4.180 1.00 0.00 C ATOM 1336 CG LEU C 40 9.040 -7.673 -4.466 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.727 -7.328 -3.142 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.004 -8.473 -5.357 1.00 0.00 C ATOM 0 H LEU C 40 7.004 -6.738 -5.728 1.00 0.00 H new ATOM 0 HA LEU C 40 7.699 -9.501 -6.084 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.109 -7.948 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU C 40 8.046 -9.422 -3.661 1.00 0.00 H new ATOM 0 HG LEU C 40 8.760 -6.756 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.623 -6.740 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.045 -6.751 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU C 40 10.003 -8.247 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.895 -7.878 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU C 40 10.289 -9.395 -4.849 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.513 -8.715 -6.299 1.00 0.00 H new ATOM 1350 N TRP C 41 4.727 -8.752 -4.856 1.00 0.00 N ATOM 1351 CA TRP C 41 3.410 -9.309 -4.552 1.00 0.00 C ATOM 1352 C TRP C 41 2.729 -9.875 -5.800 1.00 0.00 C ATOM 1353 O TRP C 41 2.174 -10.974 -5.764 1.00 0.00 O ATOM 1354 CB TRP C 41 2.526 -8.229 -3.910 1.00 0.00 C ATOM 1355 CG TRP C 41 1.117 -8.720 -3.781 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.641 -9.468 -2.762 1.00 0.00 C ATOM 1357 CD2 TRP C 41 -0.010 -8.480 -4.667 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.699 -9.727 -2.981 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.148 -9.132 -4.141 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.154 -7.769 -5.870 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.379 -9.080 -4.786 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.398 -7.709 -6.516 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.504 -8.365 -5.975 1.00 0.00 C ATOM 0 H TRP C 41 4.789 -7.739 -4.759 1.00 0.00 H new ATOM 0 HA TRP C 41 3.548 -10.134 -3.853 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.918 -7.965 -2.928 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.549 -7.323 -4.516 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.215 -9.809 -1.913 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.283 -10.289 -2.361 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.699 -7.265 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.233 -9.591 -4.367 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.500 -7.153 -7.436 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.458 -8.318 -6.479 1.00 0.00 H new ATOM 1374 N ILE C 42 2.755 -9.120 -6.893 1.00 0.00 N ATOM 1375 CA ILE C 42 2.115 -9.569 -8.128 1.00 0.00 C ATOM 1376 C ILE C 42 2.807 -10.823 -8.658 1.00 0.00 C ATOM 1377 O ILE C 42 2.153 -11.759 -9.118 1.00 0.00 O ATOM 1378 CB ILE C 42 2.162 -8.450 -9.181 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.186 -8.762 -10.319 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.578 -8.320 -9.758 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.085 -7.547 -11.243 1.00 0.00 C ATOM 0 H ILE C 42 3.205 -8.207 -6.952 1.00 0.00 H new ATOM 0 HA ILE C 42 1.073 -9.811 -7.917 1.00 0.00 H new ATOM 0 HB ILE C 42 1.880 -7.513 -8.701 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.528 -9.632 -10.879 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.204 -9.009 -9.915 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.596 -7.524 -10.502 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.277 -8.083 -8.956 1.00 0.00 H new ATOM 0 HG23 ILE C 42 3.868 -9.261 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.391 -7.764 -12.055 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.724 -6.688 -10.677 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.068 -7.321 -11.656 1.00 0.00 H new ATOM 1393 N LEU C 43 4.133 -10.831 -8.587 1.00 0.00 N ATOM 1394 CA LEU C 43 4.911 -11.972 -9.057 1.00 0.00 C ATOM 1395 C LEU C 43 4.584 -13.221 -8.239 1.00 0.00 C ATOM 1396 O LEU C 43 4.474 -14.316 -8.786 1.00 0.00 O ATOM 1397 CB LEU C 43 6.411 -11.658 -8.953 1.00 0.00 C ATOM 1398 CG LEU C 43 6.848 -10.745 -10.115 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.270 -10.231 -9.850 1.00 0.00 C ATOM 1400 CD2 LEU C 43 6.818 -11.518 -11.455 1.00 0.00 C ATOM 0 H LEU C 43 4.690 -10.064 -8.210 1.00 0.00 H new ATOM 0 HA LEU C 43 4.653 -12.163 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.623 -11.172 -8.000 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.986 -12.584 -8.973 1.00 0.00 H new ATOM 0 HG LEU C 43 6.157 -9.905 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.582 -9.585 -10.670 1.00 0.00 H new ATOM 0 HD12 LEU C 43 8.285 -9.667 -8.918 1.00 0.00 H new ATOM 0 HD13 LEU C 43 8.954 -11.076 -9.774 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.130 -10.857 -12.264 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.497 -12.369 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.806 -11.874 -11.647 1.00 0.00 H new ATOM 1653 N VAL D 28 3.275 11.371 6.632 1.00 0.00 N ATOM 1654 CA VAL D 28 4.270 10.679 7.444 1.00 0.00 C ATOM 1655 C VAL D 28 3.689 9.397 8.031 1.00 0.00 C ATOM 1656 O VAL D 28 4.332 8.348 8.011 1.00 0.00 O ATOM 1657 CB VAL D 28 4.739 11.593 8.579 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.707 10.830 9.487 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.450 12.814 7.990 1.00 0.00 C ATOM 0 HA VAL D 28 5.116 10.421 6.807 1.00 0.00 H new ATOM 0 HB VAL D 28 3.876 11.918 9.161 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.040 11.483 10.294 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.202 9.960 9.908 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.569 10.503 8.906 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.784 13.465 8.798 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.311 12.487 7.407 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.761 13.360 7.345 1.00 0.00 H new ATOM 1669 N ALA D 29 2.469 9.487 8.557 1.00 0.00 N ATOM 1670 CA ALA D 29 1.821 8.321 9.147 1.00 0.00 C ATOM 1671 C ALA D 29 1.630 7.231 8.103 1.00 0.00 C ATOM 1672 O ALA D 29 1.842 6.052 8.377 1.00 0.00 O ATOM 1673 CB ALA D 29 0.459 8.712 9.724 1.00 0.00 C ATOM 0 H ALA D 29 1.917 10.344 8.586 1.00 0.00 H new ATOM 0 HA ALA D 29 2.460 7.943 9.945 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.016 7.834 10.162 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.594 9.473 10.493 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.173 9.108 8.929 1.00 0.00 H new ATOM 1679 N ALA D 30 1.231 7.630 6.902 1.00 0.00 N ATOM 1680 CA ALA D 30 1.017 6.673 5.826 1.00 0.00 C ATOM 1681 C ALA D 30 2.324 5.987 5.448 1.00 0.00 C ATOM 1682 O ALA D 30 2.350 4.785 5.179 1.00 0.00 O ATOM 1683 CB ALA D 30 0.438 7.383 4.601 1.00 0.00 C ATOM 0 H ALA D 30 1.050 8.602 6.650 1.00 0.00 H new ATOM 0 HA ALA D 30 0.312 5.918 6.175 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.281 6.659 3.801 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.514 7.845 4.864 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.133 8.152 4.264 1.00 0.00 H new ATOM 1689 N ASN D 31 3.407 6.755 5.423 1.00 0.00 N ATOM 1690 CA ASN D 31 4.709 6.206 5.069 1.00 0.00 C ATOM 1691 C ASN D 31 5.153 5.164 6.095 1.00 0.00 C ATOM 1692 O ASN D 31 5.657 4.102 5.735 1.00 0.00 O ATOM 1693 CB ASN D 31 5.747 7.328 5.004 1.00 0.00 C ATOM 1694 CG ASN D 31 5.466 8.226 3.804 1.00 0.00 C ATOM 1695 OD1 ASN D 31 4.719 7.845 2.903 1.00 0.00 O ATOM 1696 ND2 ASN D 31 6.022 9.404 3.739 1.00 0.00 N ATOM 0 H ASN D 31 3.410 7.751 5.642 1.00 0.00 H new ATOM 0 HA ASN D 31 4.625 5.727 4.094 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.719 7.914 5.922 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.748 6.905 4.926 1.00 0.00 H new ATOM 0 HD21 ASN D 31 5.838 10.011 2.940 1.00 0.00 H new ATOM 0 HD22 ASN D 31 6.641 9.718 4.487 1.00 0.00 H new ATOM 1703 N ILE D 32 4.961 5.478 7.372 1.00 0.00 N ATOM 1704 CA ILE D 32 5.344 4.561 8.439 1.00 0.00 C ATOM 1705 C ILE D 32 4.498 3.292 8.387 1.00 0.00 C ATOM 1706 O ILE D 32 5.011 2.182 8.526 1.00 0.00 O ATOM 1707 CB ILE D 32 5.175 5.244 9.801 1.00 0.00 C ATOM 1708 CG1 ILE D 32 6.193 6.382 9.926 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.412 4.230 10.925 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.854 7.241 11.146 1.00 0.00 C ATOM 0 H ILE D 32 4.546 6.353 7.691 1.00 0.00 H new ATOM 0 HA ILE D 32 6.390 4.287 8.301 1.00 0.00 H new ATOM 0 HB ILE D 32 4.163 5.641 9.881 1.00 0.00 H new ATOM 0 HG12 ILE D 32 7.199 5.974 10.024 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.183 6.993 9.024 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.290 4.722 11.890 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.692 3.416 10.839 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.423 3.830 10.847 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.579 8.050 11.234 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.855 7.660 11.030 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.887 6.625 12.045 1.00 0.00 H new ATOM 1722 N ILE D 33 3.194 3.470 8.189 1.00 0.00 N ATOM 1723 CA ILE D 33 2.276 2.338 8.123 1.00 0.00 C ATOM 1724 C ILE D 33 2.599 1.451 6.921 1.00 0.00 C ATOM 1725 O ILE D 33 2.602 0.224 7.029 1.00 0.00 O ATOM 1726 CB ILE D 33 0.834 2.847 8.026 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.441 3.525 9.341 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.112 1.672 7.770 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.853 4.314 9.138 1.00 0.00 C ATOM 0 H ILE D 33 2.752 4.382 8.072 1.00 0.00 H new ATOM 0 HA ILE D 33 2.389 1.743 9.029 1.00 0.00 H new ATOM 0 HB ILE D 33 0.762 3.561 7.206 1.00 0.00 H new ATOM 0 HG12 ILE D 33 0.305 2.777 10.122 1.00 0.00 H new ATOM 0 HG13 ILE D 33 1.238 4.191 9.672 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.136 2.038 7.702 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.161 1.182 6.836 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.036 0.958 8.590 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -1.135 4.798 10.073 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -0.700 5.072 8.369 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -1.648 3.636 8.826 1.00 0.00 H new ATOM 1741 N GLY D 34 2.863 2.075 5.777 1.00 0.00 N ATOM 1742 CA GLY D 34 3.177 1.322 4.567 1.00 0.00 C ATOM 1743 C GLY D 34 4.418 0.459 4.769 1.00 0.00 C ATOM 1744 O GLY D 34 4.428 -0.722 4.420 1.00 0.00 O ATOM 0 H GLY D 34 2.866 3.089 5.662 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.330 0.691 4.297 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.339 2.010 3.737 1.00 0.00 H new ATOM 1748 N ILE D 35 5.459 1.053 5.341 1.00 0.00 N ATOM 1749 CA ILE D 35 6.699 0.326 5.593 1.00 0.00 C ATOM 1750 C ILE D 35 6.462 -0.798 6.601 1.00 0.00 C ATOM 1751 O ILE D 35 6.966 -1.910 6.436 1.00 0.00 O ATOM 1752 CB ILE D 35 7.773 1.285 6.122 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.168 2.266 5.013 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.008 0.487 6.555 1.00 0.00 C ATOM 1755 CD1 ILE D 35 9.030 3.388 5.599 1.00 0.00 C ATOM 0 H ILE D 35 5.471 2.029 5.637 1.00 0.00 H new ATOM 0 HA ILE D 35 7.042 -0.111 4.655 1.00 0.00 H new ATOM 0 HB ILE D 35 7.378 1.835 6.976 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.718 1.743 4.230 1.00 0.00 H new ATOM 0 HG13 ILE D 35 7.275 2.685 4.550 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.770 1.170 6.930 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.730 -0.215 7.342 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.403 -0.063 5.701 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.309 4.084 4.808 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.465 3.918 6.366 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.930 2.962 6.041 1.00 0.00 H new ATOM 1767 N LEU D 36 5.702 -0.496 7.649 1.00 0.00 N ATOM 1768 CA LEU D 36 5.416 -1.480 8.686 1.00 0.00 C ATOM 1769 C LEU D 36 4.666 -2.670 8.084 1.00 0.00 C ATOM 1770 O LEU D 36 4.940 -3.823 8.417 1.00 0.00 O ATOM 1771 CB LEU D 36 4.580 -0.823 9.802 1.00 0.00 C ATOM 1772 CG LEU D 36 4.839 -1.507 11.153 1.00 0.00 C ATOM 1773 CD1 LEU D 36 3.973 -0.843 12.227 1.00 0.00 C ATOM 1774 CD2 LEU D 36 4.502 -3.005 11.072 1.00 0.00 C ATOM 0 H LEU D 36 5.275 0.418 7.802 1.00 0.00 H new ATOM 0 HA LEU D 36 6.352 -1.842 9.112 1.00 0.00 H new ATOM 0 HB2 LEU D 36 4.828 0.236 9.872 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.520 -0.887 9.554 1.00 0.00 H new ATOM 0 HG LEU D 36 5.893 -1.402 11.408 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.153 -1.324 13.188 1.00 0.00 H new ATOM 0 HD12 LEU D 36 4.228 0.214 12.298 1.00 0.00 H new ATOM 0 HD13 LEU D 36 2.921 -0.946 11.961 1.00 0.00 H new ATOM 0 HD21 LEU D 36 4.692 -3.473 12.038 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.451 -3.128 10.809 1.00 0.00 H new ATOM 0 HD23 LEU D 36 5.124 -3.477 10.312 1.00 0.00 H new ATOM 1786 N HIS D 37 3.727 -2.387 7.186 1.00 0.00 N ATOM 1787 CA HIS D 37 2.960 -3.450 6.544 1.00 0.00 C ATOM 1788 C HIS D 37 3.896 -4.401 5.813 1.00 0.00 C ATOM 1789 O HIS D 37 3.722 -5.619 5.861 1.00 0.00 O ATOM 1790 CB HIS D 37 1.964 -2.862 5.541 1.00 0.00 C ATOM 1791 CG HIS D 37 1.162 -3.982 4.934 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.210 -4.082 5.092 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.527 -5.067 4.179 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.612 -5.192 4.449 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.407 -5.829 3.874 1.00 0.00 N ATOM 0 H HIS D 37 3.481 -1.443 6.889 1.00 0.00 H new ATOM 0 HA HIS D 37 2.415 -3.992 7.317 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.303 -2.152 6.039 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.493 -2.313 4.762 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.536 -5.295 3.868 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.638 -5.527 4.404 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.372 -6.690 3.328 1.00 0.00 H new ATOM 1803 N LEU D 38 4.890 -3.840 5.133 1.00 0.00 N ATOM 1804 CA LEU D 38 5.847 -4.652 4.387 1.00 0.00 C ATOM 1805 C LEU D 38 6.601 -5.597 5.313 1.00 0.00 C ATOM 1806 O LEU D 38 6.862 -6.742 4.950 1.00 0.00 O ATOM 1807 CB LEU D 38 6.839 -3.742 3.626 1.00 0.00 C ATOM 1808 CG LEU D 38 6.312 -3.439 2.206 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.946 -2.155 1.669 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.658 -4.603 1.259 1.00 0.00 C ATOM 0 H LEU D 38 5.054 -2.835 5.082 1.00 0.00 H new ATOM 0 HA LEU D 38 5.294 -5.254 3.666 1.00 0.00 H new ATOM 0 HB2 LEU D 38 6.982 -2.811 4.174 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.813 -4.227 3.563 1.00 0.00 H new ATOM 0 HG LEU D 38 5.230 -3.315 2.258 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.566 -1.953 0.668 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.696 -1.323 2.327 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.029 -2.273 1.629 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.283 -4.383 0.259 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.740 -4.732 1.221 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.196 -5.520 1.625 1.00 0.00 H new ATOM 1822 N ILE D 39 6.959 -5.125 6.498 1.00 0.00 N ATOM 1823 CA ILE D 39 7.695 -5.963 7.436 1.00 0.00 C ATOM 1824 C ILE D 39 6.858 -7.178 7.837 1.00 0.00 C ATOM 1825 O ILE D 39 7.359 -8.301 7.881 1.00 0.00 O ATOM 1826 CB ILE D 39 8.053 -5.149 8.681 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.060 -4.063 8.292 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.675 -6.067 9.739 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.255 -3.087 9.458 1.00 0.00 C ATOM 0 H ILE D 39 6.757 -4.182 6.830 1.00 0.00 H new ATOM 0 HA ILE D 39 8.608 -6.312 6.954 1.00 0.00 H new ATOM 0 HB ILE D 39 7.153 -4.691 9.091 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.014 -4.519 8.025 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.706 -3.525 7.412 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.928 -5.483 10.624 1.00 0.00 H new ATOM 0 HG22 ILE D 39 7.962 -6.845 10.010 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.578 -6.526 9.337 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.973 -2.318 9.173 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.302 -2.620 9.705 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.629 -3.628 10.327 1.00 0.00 H new ATOM 1841 N LEU D 40 5.588 -6.952 8.131 1.00 0.00 N ATOM 1842 CA LEU D 40 4.705 -8.045 8.522 1.00 0.00 C ATOM 1843 C LEU D 40 4.352 -8.926 7.321 1.00 0.00 C ATOM 1844 O LEU D 40 4.331 -10.151 7.426 1.00 0.00 O ATOM 1845 CB LEU D 40 3.434 -7.477 9.151 1.00 0.00 C ATOM 1846 CG LEU D 40 3.813 -6.488 10.260 1.00 0.00 C ATOM 1847 CD1 LEU D 40 2.538 -5.902 10.874 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.626 -7.205 11.351 1.00 0.00 C ATOM 0 H LEU D 40 5.146 -6.033 8.108 1.00 0.00 H new ATOM 0 HA LEU D 40 5.225 -8.666 9.251 1.00 0.00 H new ATOM 0 HB2 LEU D 40 2.832 -6.977 8.393 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.826 -8.284 9.560 1.00 0.00 H new ATOM 0 HG LEU D 40 4.418 -5.688 9.835 1.00 0.00 H new ATOM 0 HD11 LEU D 40 2.804 -5.198 11.663 1.00 0.00 H new ATOM 0 HD12 LEU D 40 1.968 -5.384 10.103 1.00 0.00 H new ATOM 0 HD13 LEU D 40 1.934 -6.706 11.294 1.00 0.00 H new ATOM 0 HD21 LEU D 40 4.890 -6.494 12.134 1.00 0.00 H new ATOM 0 HD22 LEU D 40 4.030 -8.011 11.779 1.00 0.00 H new ATOM 0 HD23 LEU D 40 5.535 -7.619 10.915 1.00 0.00 H new ATOM 1860 N TRP D 41 4.055 -8.289 6.188 1.00 0.00 N ATOM 1861 CA TRP D 41 3.686 -9.022 4.976 1.00 0.00 C ATOM 1862 C TRP D 41 4.863 -9.816 4.407 1.00 0.00 C ATOM 1863 O TRP D 41 4.710 -10.981 4.040 1.00 0.00 O ATOM 1864 CB TRP D 41 3.145 -8.043 3.926 1.00 0.00 C ATOM 1865 CG TRP D 41 2.952 -8.742 2.616 1.00 0.00 C ATOM 1866 CD1 TRP D 41 1.858 -9.452 2.263 1.00 0.00 C ATOM 1867 CD2 TRP D 41 3.848 -8.783 1.469 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.035 -9.947 0.984 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.246 -9.555 0.451 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.114 -8.230 1.220 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 3.882 -9.772 -0.769 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.751 -8.442 -0.012 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.135 -9.209 -1.002 1.00 0.00 C ATOM 0 H TRP D 41 4.062 -7.274 6.084 1.00 0.00 H new ATOM 0 HA TRP D 41 2.910 -9.741 5.241 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.198 -7.622 4.265 1.00 0.00 H new ATOM 0 HB3 TRP D 41 3.838 -7.211 3.803 1.00 0.00 H new ATOM 0 HD1 TRP D 41 0.986 -9.608 2.880 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.355 -10.529 0.495 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.600 -7.638 1.981 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.407 -10.373 -1.530 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.723 -8.009 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.630 -9.366 -1.949 1.00 0.00 H new ATOM 1884 N ILE D 42 6.026 -9.182 4.318 1.00 0.00 N ATOM 1885 CA ILE D 42 7.202 -9.854 3.770 1.00 0.00 C ATOM 1886 C ILE D 42 7.608 -11.025 4.661 1.00 0.00 C ATOM 1887 O ILE D 42 7.964 -12.098 4.173 1.00 0.00 O ATOM 1888 CB ILE D 42 8.364 -8.856 3.641 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.456 -9.438 2.739 1.00 0.00 C ATOM 1890 CG2 ILE D 42 8.963 -8.554 5.021 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.498 -8.356 2.447 1.00 0.00 C ATOM 0 H ILE D 42 6.181 -8.218 4.613 1.00 0.00 H new ATOM 0 HA ILE D 42 6.957 -10.241 2.781 1.00 0.00 H new ATOM 0 HB ILE D 42 7.979 -7.934 3.205 1.00 0.00 H new ATOM 0 HG12 ILE D 42 9.928 -10.292 3.224 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.020 -9.801 1.808 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.785 -7.846 4.914 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.195 -8.124 5.665 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.335 -9.477 5.466 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.278 -8.766 1.805 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.019 -7.516 1.945 1.00 0.00 H new ATOM 0 HD13 ILE D 42 10.941 -8.015 3.383 1.00 0.00 H new ATOM 1903 N LEU D 43 7.547 -10.809 5.970 1.00 0.00 N ATOM 1904 CA LEU D 43 7.906 -11.850 6.927 1.00 0.00 C ATOM 1905 C LEU D 43 6.962 -13.043 6.803 1.00 0.00 C ATOM 1906 O LEU D 43 7.394 -14.195 6.878 1.00 0.00 O ATOM 1907 CB LEU D 43 7.847 -11.285 8.356 1.00 0.00 C ATOM 1908 CG LEU D 43 9.099 -10.436 8.645 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.903 -9.673 9.963 1.00 0.00 C ATOM 1910 CD2 LEU D 43 10.353 -11.335 8.755 1.00 0.00 C ATOM 0 H LEU D 43 7.254 -9.928 6.392 1.00 0.00 H new ATOM 0 HA LEU D 43 8.920 -12.186 6.711 1.00 0.00 H new ATOM 0 HB2 LEU D 43 6.951 -10.677 8.478 1.00 0.00 H new ATOM 0 HB3 LEU D 43 7.778 -12.101 9.075 1.00 0.00 H new ATOM 0 HG LEU D 43 9.243 -9.733 7.824 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.788 -9.071 10.170 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.033 -9.022 9.881 1.00 0.00 H new ATOM 0 HD13 LEU D 43 8.749 -10.383 10.775 1.00 0.00 H new ATOM 0 HD21 LEU D 43 11.227 -10.717 8.959 1.00 0.00 H new ATOM 0 HD22 LEU D 43 10.217 -12.051 9.566 1.00 0.00 H new ATOM 0 HD23 LEU D 43 10.499 -11.872 7.818 1.00 0.00 H new