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= -1.51 K(o=-1.5,f=-4.4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.48! C(o=-9.5!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -1.04 K(o=-1,f=-4.1!) USER MOD Single : B 37 HIS : no HD1:sc= -9.72! C(o=-9.7!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.93 K(o=-1.9,f=-5.1!) USER MOD Single : C 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -0.666 K(o=-0.67,f=-3.5!) USER MOD Single : D 37 HIS : no HD1:sc= -9.68! C(o=-9.7!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.797 12.423 0.866 1.00 0.00 N ATOM 124 CA VAL A 28 -6.510 12.040 2.078 1.00 0.00 C ATOM 125 C VAL A 28 -7.175 10.679 1.899 1.00 0.00 C ATOM 126 O VAL A 28 -7.116 9.827 2.785 1.00 0.00 O ATOM 127 CB VAL A 28 -7.570 13.092 2.418 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.423 12.605 3.592 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.880 14.404 2.803 1.00 0.00 C ATOM 0 HA VAL A 28 -5.792 11.975 2.895 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.208 13.254 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.176 13.356 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.915 11.671 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.786 12.441 4.461 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.633 15.154 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.241 14.238 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.274 14.755 1.968 1.00 0.00 H new ATOM 139 N ALA A 29 -7.811 10.486 0.749 1.00 0.00 N ATOM 140 CA ALA A 29 -8.487 9.228 0.465 1.00 0.00 C ATOM 141 C ALA A 29 -7.489 8.079 0.408 1.00 0.00 C ATOM 142 O ALA A 29 -7.764 6.980 0.886 1.00 0.00 O ATOM 143 CB ALA A 29 -9.233 9.325 -0.867 1.00 0.00 C ATOM 0 H ALA A 29 -7.872 11.180 0.004 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.198 9.033 1.268 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.736 8.380 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.972 10.125 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.524 9.539 -1.666 1.00 0.00 H new ATOM 149 N ALA A 30 -6.328 8.339 -0.180 1.00 0.00 N ATOM 150 CA ALA A 30 -5.299 7.313 -0.295 1.00 0.00 C ATOM 151 C ALA A 30 -4.875 6.820 1.084 1.00 0.00 C ATOM 152 O ALA A 30 -4.739 5.617 1.306 1.00 0.00 O ATOM 153 CB ALA A 30 -4.084 7.876 -1.030 1.00 0.00 C ATOM 0 H ALA A 30 -6.077 9.242 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.710 6.475 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.319 7.104 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.380 8.201 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.685 8.725 -0.475 1.00 0.00 H new ATOM 159 N ASN A 31 -4.661 7.753 2.005 1.00 0.00 N ATOM 160 CA ASN A 31 -4.248 7.395 3.356 1.00 0.00 C ATOM 161 C ASN A 31 -5.328 6.566 4.042 1.00 0.00 C ATOM 162 O ASN A 31 -5.035 5.576 4.714 1.00 0.00 O ATOM 163 CB ASN A 31 -3.980 8.664 4.168 1.00 0.00 C ATOM 164 CG ASN A 31 -2.733 9.366 3.641 1.00 0.00 C ATOM 165 OD1 ASN A 31 -1.933 8.761 2.928 1.00 0.00 O ATOM 166 ND2 ASN A 31 -2.517 10.615 3.954 1.00 0.00 N ATOM 0 H ASN A 31 -4.766 8.755 1.843 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.336 6.802 3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.838 9.333 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.848 8.411 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.684 11.091 3.607 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.181 11.115 4.545 1.00 0.00 H new ATOM 173 N ILE A 32 -6.580 6.976 3.866 1.00 0.00 N ATOM 174 CA ILE A 32 -7.701 6.263 4.468 1.00 0.00 C ATOM 175 C ILE A 32 -7.820 4.865 3.873 1.00 0.00 C ATOM 176 O ILE A 32 -8.053 3.893 4.588 1.00 0.00 O ATOM 177 CB ILE A 32 -9.002 7.039 4.235 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.954 8.352 5.019 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.190 6.203 4.726 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.103 9.255 4.569 1.00 0.00 C ATOM 0 H ILE A 32 -6.843 7.793 3.315 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.523 6.176 5.540 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.116 7.248 3.171 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.031 8.153 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.999 8.851 4.855 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.116 6.754 4.561 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.225 5.262 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.075 5.998 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.070 10.191 5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.006 9.464 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.053 8.755 4.755 1.00 0.00 H new ATOM 192 N ILE A 33 -7.668 4.775 2.558 1.00 0.00 N ATOM 193 CA ILE A 33 -7.776 3.491 1.873 1.00 0.00 C ATOM 194 C ILE A 33 -6.694 2.535 2.356 1.00 0.00 C ATOM 195 O ILE A 33 -6.957 1.358 2.599 1.00 0.00 O ATOM 196 CB ILE A 33 -7.647 3.697 0.356 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.874 4.463 -0.182 1.00 0.00 C ATOM 198 CG2 ILE A 33 -7.531 2.334 -0.344 1.00 0.00 C ATOM 199 CD1 ILE A 33 -10.021 3.494 -0.510 1.00 0.00 C ATOM 0 H ILE A 33 -7.471 5.568 1.948 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.751 3.058 2.098 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.751 4.282 0.152 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.207 5.191 0.558 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.597 5.021 -1.076 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.440 2.484 -1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.650 1.809 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.421 1.741 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -10.875 4.056 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.691 2.783 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.311 2.955 0.392 1.00 0.00 H new ATOM 211 N GLY A 34 -5.477 3.044 2.489 1.00 0.00 N ATOM 212 CA GLY A 34 -4.369 2.214 2.937 1.00 0.00 C ATOM 213 C GLY A 34 -4.646 1.634 4.319 1.00 0.00 C ATOM 214 O GLY A 34 -4.395 0.455 4.571 1.00 0.00 O ATOM 0 H GLY A 34 -5.234 4.016 2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.205 1.405 2.225 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.454 2.806 2.964 1.00 0.00 H new ATOM 218 N ILE A 35 -5.168 2.470 5.211 1.00 0.00 N ATOM 219 CA ILE A 35 -5.478 2.026 6.565 1.00 0.00 C ATOM 220 C ILE A 35 -6.570 0.960 6.542 1.00 0.00 C ATOM 221 O ILE A 35 -6.488 -0.047 7.247 1.00 0.00 O ATOM 222 CB ILE A 35 -5.933 3.217 7.415 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.755 4.176 7.613 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.417 2.718 8.782 1.00 0.00 C ATOM 225 CD1 ILE A 35 -5.260 5.486 8.224 1.00 0.00 C ATOM 0 H ILE A 35 -5.383 3.449 5.023 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.578 1.595 7.003 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.748 3.735 6.909 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.009 3.722 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.267 4.372 6.658 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.740 3.566 9.385 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.252 2.032 8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.603 2.201 9.290 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.422 6.169 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.990 5.942 7.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.728 5.282 9.187 1.00 0.00 H new ATOM 237 N LEU A 36 -7.593 1.191 5.727 1.00 0.00 N ATOM 238 CA LEU A 36 -8.700 0.249 5.623 1.00 0.00 C ATOM 239 C LEU A 36 -8.217 -1.101 5.120 1.00 0.00 C ATOM 240 O LEU A 36 -8.653 -2.147 5.602 1.00 0.00 O ATOM 241 CB LEU A 36 -9.766 0.800 4.673 1.00 0.00 C ATOM 242 CG LEU A 36 -10.482 1.995 5.324 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.336 2.710 4.271 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.380 1.523 6.494 1.00 0.00 C ATOM 0 H LEU A 36 -7.679 2.016 5.133 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.130 0.116 6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.305 1.109 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.488 0.020 4.432 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.733 2.681 5.720 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.845 3.558 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.696 3.065 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.075 2.017 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.878 2.384 6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.129 0.825 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.767 1.027 7.246 1.00 0.00 H new ATOM 256 N HIS A 37 -7.311 -1.075 4.153 1.00 0.00 N ATOM 257 CA HIS A 37 -6.777 -2.308 3.591 1.00 0.00 C ATOM 258 C HIS A 37 -6.115 -3.146 4.677 1.00 0.00 C ATOM 259 O HIS A 37 -6.274 -4.364 4.716 1.00 0.00 O ATOM 260 CB HIS A 37 -5.751 -1.981 2.508 1.00 0.00 C ATOM 261 CG HIS A 37 -5.235 -3.260 1.907 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.406 -3.571 0.571 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.560 -4.323 2.452 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.848 -4.776 0.361 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.316 -5.276 1.473 1.00 0.00 N ATOM 0 H HIS A 37 -6.932 -0.221 3.744 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.600 -2.876 3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.206 -1.361 1.736 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.927 -1.408 2.933 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.263 -4.406 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.833 -5.278 -0.595 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.833 -6.168 1.583 1.00 0.00 H new ATOM 273 N LEU A 38 -5.372 -2.486 5.553 1.00 0.00 N ATOM 274 CA LEU A 38 -4.687 -3.185 6.633 1.00 0.00 C ATOM 275 C LEU A 38 -5.679 -3.877 7.552 1.00 0.00 C ATOM 276 O LEU A 38 -5.415 -4.968 8.042 1.00 0.00 O ATOM 277 CB LEU A 38 -3.831 -2.192 7.445 1.00 0.00 C ATOM 278 CG LEU A 38 -2.419 -2.087 6.843 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.753 -0.786 7.290 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.561 -3.283 7.303 1.00 0.00 C ATOM 0 H LEU A 38 -5.228 -1.476 5.539 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.042 -3.944 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.306 -1.211 7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.768 -2.520 8.483 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.501 -2.095 5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.754 -0.722 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.349 0.062 6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.680 -0.770 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.563 -3.202 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.489 -3.282 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.024 -4.212 6.971 1.00 0.00 H new ATOM 292 N ILE A 39 -6.806 -3.234 7.795 1.00 0.00 N ATOM 293 CA ILE A 39 -7.799 -3.808 8.683 1.00 0.00 C ATOM 294 C ILE A 39 -8.282 -5.148 8.133 1.00 0.00 C ATOM 295 O ILE A 39 -8.410 -6.117 8.871 1.00 0.00 O ATOM 296 CB ILE A 39 -8.989 -2.853 8.800 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.530 -1.559 9.480 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.093 -3.504 9.649 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.671 -0.531 9.481 1.00 0.00 C ATOM 0 H ILE A 39 -7.054 -2.328 7.397 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.351 -3.964 9.664 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.377 -2.634 7.805 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.217 -1.768 10.503 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.664 -1.152 8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.939 -2.822 9.731 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.418 -4.430 9.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.706 -3.722 10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.335 0.385 9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.964 -0.311 8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.525 -0.936 10.023 1.00 0.00 H new ATOM 311 N LEU A 40 -8.562 -5.197 6.840 1.00 0.00 N ATOM 312 CA LEU A 40 -9.027 -6.437 6.223 1.00 0.00 C ATOM 313 C LEU A 40 -7.876 -7.428 6.032 1.00 0.00 C ATOM 314 O LEU A 40 -8.012 -8.622 6.306 1.00 0.00 O ATOM 315 CB LEU A 40 -9.679 -6.131 4.867 1.00 0.00 C ATOM 316 CG LEU A 40 -11.123 -5.660 5.073 1.00 0.00 C ATOM 317 CD1 LEU A 40 -11.124 -4.304 5.778 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.809 -5.530 3.717 1.00 0.00 C ATOM 0 H LEU A 40 -8.478 -4.406 6.202 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.761 -6.892 6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.108 -5.363 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.665 -7.021 4.238 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.659 -6.385 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.151 -3.970 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.632 -4.397 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.589 -3.576 5.168 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.836 -5.195 3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.272 -4.804 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.809 -6.498 3.215 1.00 0.00 H new ATOM 330 N TRP A 41 -6.752 -6.922 5.545 1.00 0.00 N ATOM 331 CA TRP A 41 -5.591 -7.769 5.299 1.00 0.00 C ATOM 332 C TRP A 41 -5.053 -8.369 6.591 1.00 0.00 C ATOM 333 O TRP A 41 -4.752 -9.560 6.655 1.00 0.00 O ATOM 334 CB TRP A 41 -4.495 -6.963 4.595 1.00 0.00 C ATOM 335 CG TRP A 41 -3.257 -7.797 4.483 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.004 -8.692 3.502 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.084 -7.798 5.348 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.767 -9.269 3.731 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.160 -8.741 4.849 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.740 -7.082 6.508 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.058 -8.965 5.480 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.506 -7.302 7.137 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.387 -8.241 6.622 1.00 0.00 C ATOM 0 H TRP A 41 -6.618 -5.938 5.314 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.905 -8.591 4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.832 -6.658 3.604 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.283 -6.051 5.154 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.660 -8.920 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.356 -9.995 3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.430 -6.359 6.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.746 -9.698 5.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.246 -6.742 8.023 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.336 -8.407 7.110 1.00 0.00 H new ATOM 354 N ILE A 42 -4.929 -7.539 7.611 1.00 0.00 N ATOM 355 CA ILE A 42 -4.417 -7.999 8.891 1.00 0.00 C ATOM 356 C ILE A 42 -5.375 -9.017 9.501 1.00 0.00 C ATOM 357 O ILE A 42 -4.955 -9.930 10.210 1.00 0.00 O ATOM 358 CB ILE A 42 -4.245 -6.809 9.846 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.388 -7.233 11.044 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.616 -6.322 10.343 1.00 0.00 C ATOM 361 CD1 ILE A 42 -3.050 -5.998 11.882 1.00 0.00 C ATOM 0 H ILE A 42 -5.174 -6.549 7.580 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.448 -8.472 8.733 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.753 -5.996 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.924 -7.963 11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.473 -7.715 10.700 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.479 -5.478 11.019 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.222 -6.011 9.492 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.120 -7.132 10.871 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.440 -6.293 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.497 -5.284 11.271 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.971 -5.536 12.237 1.00 0.00 H new ATOM 373 N LEU A 43 -6.668 -8.846 9.232 1.00 0.00 N ATOM 374 CA LEU A 43 -7.666 -9.753 9.783 1.00 0.00 C ATOM 375 C LEU A 43 -7.394 -11.178 9.297 1.00 0.00 C ATOM 376 O LEU A 43 -7.431 -12.134 10.070 1.00 0.00 O ATOM 377 CB LEU A 43 -9.074 -9.307 9.342 1.00 0.00 C ATOM 378 CG LEU A 43 -10.123 -9.757 10.364 1.00 0.00 C ATOM 379 CD1 LEU A 43 -11.499 -9.230 9.950 1.00 0.00 C ATOM 380 CD2 LEU A 43 -10.149 -11.288 10.458 1.00 0.00 C ATOM 0 H LEU A 43 -7.042 -8.100 8.646 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.610 -9.731 10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.102 -8.222 9.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.306 -9.729 8.364 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.864 -9.355 11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.245 -9.550 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.475 -8.141 9.911 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.758 -9.623 8.967 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.898 -11.595 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.398 -11.708 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.169 -11.650 10.770 1.00 0.00 H new ATOM 633 N VAL B 28 0.167 11.470 -7.493 1.00 0.00 N ATOM 634 CA VAL B 28 -1.089 11.099 -8.134 1.00 0.00 C ATOM 635 C VAL B 28 -1.046 9.646 -8.593 1.00 0.00 C ATOM 636 O VAL B 28 -2.003 8.895 -8.403 1.00 0.00 O ATOM 637 CB VAL B 28 -1.353 12.012 -9.335 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.585 11.518 -10.097 1.00 0.00 C ATOM 639 CG2 VAL B 28 -1.598 13.440 -8.844 1.00 0.00 C ATOM 0 HA VAL B 28 -1.895 11.214 -7.409 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.488 11.996 -9.998 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -2.770 12.170 -10.951 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.412 10.501 -10.448 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.451 11.531 -9.436 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.786 14.091 -9.698 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.462 13.453 -8.180 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.720 13.795 -8.304 1.00 0.00 H new ATOM 649 N ALA B 29 0.069 9.257 -9.203 1.00 0.00 N ATOM 650 CA ALA B 29 0.223 7.894 -9.692 1.00 0.00 C ATOM 651 C ALA B 29 0.195 6.901 -8.534 1.00 0.00 C ATOM 652 O ALA B 29 -0.382 5.823 -8.645 1.00 0.00 O ATOM 653 CB ALA B 29 1.544 7.757 -10.451 1.00 0.00 C ATOM 0 H ALA B 29 0.873 9.862 -9.369 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.607 7.675 -10.364 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.651 6.735 -10.813 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.551 8.444 -11.297 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.373 7.994 -9.784 1.00 0.00 H new ATOM 659 N ALA B 30 0.824 7.271 -7.427 1.00 0.00 N ATOM 660 CA ALA B 30 0.864 6.399 -6.260 1.00 0.00 C ATOM 661 C ALA B 30 -0.544 6.107 -5.755 1.00 0.00 C ATOM 662 O ALA B 30 -0.877 4.964 -5.446 1.00 0.00 O ATOM 663 CB ALA B 30 1.677 7.057 -5.150 1.00 0.00 C ATOM 0 H ALA B 30 1.310 8.161 -7.312 1.00 0.00 H new ATOM 0 HA ALA B 30 1.333 5.459 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.703 6.401 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.693 7.236 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.216 8.006 -4.875 1.00 0.00 H new ATOM 669 N ASN B 31 -1.370 7.144 -5.676 1.00 0.00 N ATOM 670 CA ASN B 31 -2.739 6.980 -5.204 1.00 0.00 C ATOM 671 C ASN B 31 -3.520 6.069 -6.145 1.00 0.00 C ATOM 672 O ASN B 31 -4.272 5.200 -5.704 1.00 0.00 O ATOM 673 CB ASN B 31 -3.425 8.344 -5.122 1.00 0.00 C ATOM 674 CG ASN B 31 -2.836 9.157 -3.976 1.00 0.00 C ATOM 675 OD1 ASN B 31 -2.195 8.601 -3.084 1.00 0.00 O ATOM 676 ND2 ASN B 31 -3.017 10.450 -3.941 1.00 0.00 N ATOM 0 H ASN B 31 -1.118 8.099 -5.930 1.00 0.00 H new ATOM 0 HA ASN B 31 -2.715 6.525 -4.214 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.298 8.881 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -4.497 8.213 -4.972 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.627 10.999 -3.175 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -3.548 10.911 -4.680 1.00 0.00 H new ATOM 683 N ILE B 32 -3.332 6.271 -7.444 1.00 0.00 N ATOM 684 CA ILE B 32 -4.020 5.460 -8.443 1.00 0.00 C ATOM 685 C ILE B 32 -3.559 4.009 -8.354 1.00 0.00 C ATOM 686 O ILE B 32 -4.365 3.084 -8.434 1.00 0.00 O ATOM 687 CB ILE B 32 -3.741 6.006 -9.845 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.396 7.382 -9.993 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.330 5.054 -10.893 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.883 8.058 -11.265 1.00 0.00 C ATOM 0 H ILE B 32 -2.713 6.985 -7.829 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.092 5.503 -8.249 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.664 6.091 -9.992 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.480 7.278 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.170 8.000 -9.124 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -4.131 5.444 -11.891 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.872 4.070 -10.789 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.407 4.970 -10.744 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.350 9.037 -11.370 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.801 8.176 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -4.132 7.443 -12.130 1.00 0.00 H new ATOM 702 N ILE B 33 -2.254 3.819 -8.200 1.00 0.00 N ATOM 703 CA ILE B 33 -1.694 2.476 -8.118 1.00 0.00 C ATOM 704 C ILE B 33 -2.242 1.739 -6.902 1.00 0.00 C ATOM 705 O ILE B 33 -2.596 0.564 -6.986 1.00 0.00 O ATOM 706 CB ILE B 33 -0.161 2.558 -8.027 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.419 3.083 -9.359 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.412 1.163 -7.718 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.647 1.931 -10.346 1.00 0.00 C ATOM 0 H ILE B 33 -1.569 4.571 -8.130 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.977 1.926 -9.015 1.00 0.00 H new ATOM 0 HB ILE B 33 0.115 3.245 -7.227 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.263 3.812 -9.796 1.00 0.00 H new ATOM 0 HG13 ILE B 33 1.361 3.600 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.499 1.222 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE B 33 0.011 0.807 -6.769 1.00 0.00 H new ATOM 0 HG23 ILE B 33 0.133 0.471 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.056 2.325 -11.277 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.348 1.216 -9.915 1.00 0.00 H new ATOM 0 HD13 ILE B 33 -0.301 1.432 -10.548 1.00 0.00 H new ATOM 721 N GLY B 34 -2.304 2.432 -5.773 1.00 0.00 N ATOM 722 CA GLY B 34 -2.805 1.821 -4.553 1.00 0.00 C ATOM 723 C GLY B 34 -4.241 1.339 -4.734 1.00 0.00 C ATOM 724 O GLY B 34 -4.596 0.238 -4.308 1.00 0.00 O ATOM 0 H GLY B 34 -2.017 3.406 -5.678 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.168 0.982 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -2.759 2.541 -3.736 1.00 0.00 H new ATOM 728 N ILE B 35 -5.061 2.165 -5.372 1.00 0.00 N ATOM 729 CA ILE B 35 -6.455 1.811 -5.608 1.00 0.00 C ATOM 730 C ILE B 35 -6.549 0.597 -6.529 1.00 0.00 C ATOM 731 O ILE B 35 -7.343 -0.316 -6.297 1.00 0.00 O ATOM 732 CB ILE B 35 -7.200 2.996 -6.232 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.286 4.132 -5.209 1.00 0.00 C ATOM 734 CG2 ILE B 35 -8.617 2.561 -6.627 1.00 0.00 C ATOM 735 CD1 ILE B 35 -7.788 5.405 -5.895 1.00 0.00 C ATOM 0 H ILE B 35 -4.787 3.079 -5.733 1.00 0.00 H new ATOM 0 HA ILE B 35 -6.916 1.562 -4.652 1.00 0.00 H new ATOM 0 HB ILE B 35 -6.665 3.337 -7.118 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -7.959 3.854 -4.398 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -6.307 4.309 -4.764 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.146 3.404 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -8.560 1.748 -7.350 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.154 2.222 -5.741 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -7.848 6.212 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -7.098 5.686 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -8.776 5.225 -6.319 1.00 0.00 H new ATOM 747 N LEU B 36 -5.735 0.596 -7.579 1.00 0.00 N ATOM 748 CA LEU B 36 -5.738 -0.503 -8.535 1.00 0.00 C ATOM 749 C LEU B 36 -5.352 -1.809 -7.859 1.00 0.00 C ATOM 750 O LEU B 36 -5.938 -2.858 -8.128 1.00 0.00 O ATOM 751 CB LEU B 36 -4.760 -0.206 -9.675 1.00 0.00 C ATOM 752 CG LEU B 36 -5.313 0.928 -10.554 1.00 0.00 C ATOM 753 CD1 LEU B 36 -4.213 1.409 -11.508 1.00 0.00 C ATOM 754 CD2 LEU B 36 -6.537 0.443 -11.366 1.00 0.00 C ATOM 0 H LEU B 36 -5.069 1.339 -7.788 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.746 -0.604 -8.937 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -3.789 0.077 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -4.605 -1.102 -10.276 1.00 0.00 H new ATOM 0 HG LEU B 36 -5.631 1.750 -9.913 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.600 2.213 -12.134 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -3.365 1.775 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -3.891 0.581 -12.139 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -6.913 1.261 -11.981 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -6.242 -0.388 -12.007 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -7.320 0.114 -10.683 1.00 0.00 H new ATOM 766 N HIS B 37 -4.364 -1.742 -6.977 1.00 0.00 N ATOM 767 CA HIS B 37 -3.907 -2.929 -6.268 1.00 0.00 C ATOM 768 C HIS B 37 -5.052 -3.553 -5.482 1.00 0.00 C ATOM 769 O HIS B 37 -5.205 -4.772 -5.454 1.00 0.00 O ATOM 770 CB HIS B 37 -2.778 -2.556 -5.310 1.00 0.00 C ATOM 771 CG HIS B 37 -2.286 -3.795 -4.612 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.988 -4.252 -4.740 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.913 -4.690 -3.782 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.878 -5.375 -4.009 1.00 0.00 C ATOM 775 NE2 HIS B 37 -2.022 -5.686 -3.403 1.00 0.00 N ATOM 0 H HIS B 37 -3.867 -0.885 -6.737 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.544 -3.652 -6.999 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.962 -2.085 -5.858 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.132 -1.829 -4.579 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.945 -4.629 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.029 -5.955 -3.924 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.205 -6.483 -2.793 1.00 0.00 H new ATOM 783 N LEU B 38 -5.851 -2.712 -4.844 1.00 0.00 N ATOM 784 CA LEU B 38 -6.978 -3.194 -4.056 1.00 0.00 C ATOM 785 C LEU B 38 -7.975 -3.937 -4.928 1.00 0.00 C ATOM 786 O LEU B 38 -8.562 -4.923 -4.500 1.00 0.00 O ATOM 787 CB LEU B 38 -7.676 -2.013 -3.353 1.00 0.00 C ATOM 788 CG LEU B 38 -7.042 -1.767 -1.972 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.361 -0.353 -1.494 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.596 -2.783 -0.952 1.00 0.00 C ATOM 0 H LEU B 38 -5.742 -1.698 -4.855 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.596 -3.886 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.592 -1.115 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.739 -2.224 -3.241 1.00 0.00 H new ATOM 0 HG LEU B 38 -5.962 -1.886 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -6.908 -0.189 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -6.962 0.370 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.441 -0.229 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.143 -2.603 0.023 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.677 -2.670 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.359 -3.795 -1.281 1.00 0.00 H new ATOM 802 N ILE B 39 -8.179 -3.450 -6.138 1.00 0.00 N ATOM 803 CA ILE B 39 -9.134 -4.081 -7.031 1.00 0.00 C ATOM 804 C ILE B 39 -8.721 -5.523 -7.311 1.00 0.00 C ATOM 805 O ILE B 39 -9.548 -6.425 -7.290 1.00 0.00 O ATOM 806 CB ILE B 39 -9.192 -3.305 -8.346 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.745 -1.900 -8.078 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.116 -4.031 -9.335 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.674 -1.056 -9.356 1.00 0.00 C ATOM 0 H ILE B 39 -7.705 -2.632 -6.521 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.116 -4.078 -6.558 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.190 -3.235 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.777 -1.966 -7.733 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.173 -1.421 -7.283 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.155 -3.475 -10.272 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.731 -5.033 -9.524 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.118 -4.101 -8.912 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.069 -0.060 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.637 -0.977 -9.683 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.266 -1.531 -10.139 1.00 0.00 H new ATOM 821 N LEU B 40 -7.441 -5.733 -7.589 1.00 0.00 N ATOM 822 CA LEU B 40 -6.950 -7.081 -7.869 1.00 0.00 C ATOM 823 C LEU B 40 -6.831 -7.903 -6.585 1.00 0.00 C ATOM 824 O LEU B 40 -7.218 -9.074 -6.540 1.00 0.00 O ATOM 825 CB LEU B 40 -5.586 -7.002 -8.566 1.00 0.00 C ATOM 826 CG LEU B 40 -5.778 -6.724 -10.062 1.00 0.00 C ATOM 827 CD1 LEU B 40 -6.351 -5.320 -10.255 1.00 0.00 C ATOM 828 CD2 LEU B 40 -4.429 -6.825 -10.771 1.00 0.00 C ATOM 0 H LEU B 40 -6.731 -5.001 -7.627 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.667 -7.576 -8.524 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.983 -6.214 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.043 -7.937 -8.428 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.469 -7.455 -10.482 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.486 -5.125 -11.319 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.313 -5.247 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -5.663 -4.586 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -4.561 -6.628 -11.835 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -3.741 -6.093 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.021 -7.827 -10.636 1.00 0.00 H new ATOM 840 N TRP B 41 -6.276 -7.286 -5.551 1.00 0.00 N ATOM 841 CA TRP B 41 -6.088 -7.971 -4.279 1.00 0.00 C ATOM 842 C TRP B 41 -7.420 -8.366 -3.656 1.00 0.00 C ATOM 843 O TRP B 41 -7.590 -9.492 -3.193 1.00 0.00 O ATOM 844 CB TRP B 41 -5.299 -7.081 -3.316 1.00 0.00 C ATOM 845 CG TRP B 41 -5.240 -7.732 -1.968 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.337 -8.668 -1.592 1.00 0.00 C ATOM 847 CD2 TRP B 41 -6.079 -7.483 -0.804 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.595 -9.034 -0.285 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.649 -8.323 0.246 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.161 -6.619 -0.562 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.275 -8.308 1.488 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.784 -6.599 0.693 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.339 -7.441 1.714 1.00 0.00 C ATOM 0 H TRP B 41 -5.950 -6.320 -5.567 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.525 -8.885 -4.470 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.291 -6.919 -3.697 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.772 -6.102 -3.238 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.546 -9.063 -2.212 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.069 -9.744 0.225 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.514 -5.967 -1.347 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.936 -8.967 2.274 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.612 -5.929 0.871 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.821 -7.419 2.680 1.00 0.00 H new ATOM 864 N ILE B 42 -8.354 -7.429 -3.639 1.00 0.00 N ATOM 865 CA ILE B 42 -9.662 -7.690 -3.062 1.00 0.00 C ATOM 866 C ILE B 42 -10.378 -8.776 -3.858 1.00 0.00 C ATOM 867 O ILE B 42 -11.163 -9.546 -3.306 1.00 0.00 O ATOM 868 CB ILE B 42 -10.501 -6.404 -3.060 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.718 -6.585 -2.149 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.974 -6.079 -4.489 1.00 0.00 C ATOM 871 CD1 ILE B 42 -12.430 -5.240 -1.986 1.00 0.00 C ATOM 0 H ILE B 42 -8.233 -6.489 -4.015 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.532 -8.031 -2.035 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.888 -5.582 -2.691 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.400 -7.321 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.406 -6.965 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.568 -5.165 -4.477 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.108 -5.940 -5.136 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.581 -6.901 -4.867 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -13.298 -5.364 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -11.745 -4.517 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -12.755 -4.880 -2.962 1.00 0.00 H new ATOM 883 N LEU B 43 -10.120 -8.821 -5.163 1.00 0.00 N ATOM 884 CA LEU B 43 -10.769 -9.807 -6.014 1.00 0.00 C ATOM 885 C LEU B 43 -10.412 -11.217 -5.540 1.00 0.00 C ATOM 886 O LEU B 43 -11.269 -12.093 -5.437 1.00 0.00 O ATOM 887 CB LEU B 43 -10.317 -9.612 -7.475 1.00 0.00 C ATOM 888 CG LEU B 43 -11.395 -10.113 -8.442 1.00 0.00 C ATOM 889 CD1 LEU B 43 -10.963 -9.825 -9.881 1.00 0.00 C ATOM 890 CD2 LEU B 43 -11.625 -11.617 -8.248 1.00 0.00 C ATOM 0 H LEU B 43 -9.476 -8.195 -5.646 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.850 -9.676 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.115 -8.557 -7.662 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.386 -10.151 -7.649 1.00 0.00 H new ATOM 0 HG LEU B 43 -12.330 -9.592 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -11.730 -10.181 -10.569 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -10.828 -8.751 -10.012 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.023 -10.337 -10.088 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -12.393 -11.960 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.697 -12.155 -8.440 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -11.949 -11.807 -7.225 1.00 0.00 H new ATOM 1143 N VAL C 28 8.343 10.725 -1.587 1.00 0.00 N ATOM 1144 CA VAL C 28 8.943 10.105 -2.762 1.00 0.00 C ATOM 1145 C VAL C 28 9.273 8.642 -2.487 1.00 0.00 C ATOM 1146 O VAL C 28 9.016 7.770 -3.316 1.00 0.00 O ATOM 1147 CB VAL C 28 10.215 10.858 -3.163 1.00 0.00 C ATOM 1148 CG1 VAL C 28 10.923 10.112 -4.296 1.00 0.00 C ATOM 1149 CG2 VAL C 28 9.842 12.266 -3.638 1.00 0.00 C ATOM 0 HA VAL C 28 8.225 10.153 -3.581 1.00 0.00 H new ATOM 0 HB VAL C 28 10.882 10.924 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL C 28 11.827 10.652 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.188 9.109 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.258 10.043 -5.157 1.00 0.00 H new ATOM 0 HG21 VAL C 28 10.745 12.805 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.174 12.195 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.341 12.801 -2.832 1.00 0.00 H new ATOM 1159 N ALA C 29 9.851 8.384 -1.319 1.00 0.00 N ATOM 1160 CA ALA C 29 10.219 7.025 -0.945 1.00 0.00 C ATOM 1161 C ALA C 29 8.981 6.147 -0.826 1.00 0.00 C ATOM 1162 O ALA C 29 8.992 4.984 -1.227 1.00 0.00 O ATOM 1163 CB ALA C 29 10.970 7.033 0.388 1.00 0.00 C ATOM 0 H ALA C 29 10.073 9.093 -0.620 1.00 0.00 H new ATOM 0 HA ALA C 29 10.865 6.619 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.241 6.013 0.659 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.874 7.635 0.293 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.331 7.457 1.163 1.00 0.00 H new ATOM 1169 N ALA C 30 7.913 6.708 -0.271 1.00 0.00 N ATOM 1170 CA ALA C 30 6.675 5.959 -0.104 1.00 0.00 C ATOM 1171 C ALA C 30 6.137 5.494 -1.452 1.00 0.00 C ATOM 1172 O ALA C 30 5.714 4.347 -1.599 1.00 0.00 O ATOM 1173 CB ALA C 30 5.629 6.834 0.587 1.00 0.00 C ATOM 0 H ALA C 30 7.879 7.669 0.068 1.00 0.00 H new ATOM 0 HA ALA C 30 6.885 5.083 0.509 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.705 6.269 0.709 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.999 7.140 1.565 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.436 7.718 -0.020 1.00 0.00 H new ATOM 1179 N ASN C 31 6.155 6.388 -2.435 1.00 0.00 N ATOM 1180 CA ASN C 31 5.663 6.051 -3.765 1.00 0.00 C ATOM 1181 C ASN C 31 6.515 4.949 -4.386 1.00 0.00 C ATOM 1182 O ASN C 31 5.995 4.017 -4.998 1.00 0.00 O ATOM 1183 CB ASN C 31 5.698 7.294 -4.658 1.00 0.00 C ATOM 1184 CG ASN C 31 4.642 8.294 -4.200 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.721 7.933 -3.467 1.00 0.00 O ATOM 1186 ND2 ASN C 31 4.718 9.536 -4.592 1.00 0.00 N ATOM 0 H ASN C 31 6.501 7.342 -2.337 1.00 0.00 H new ATOM 0 HA ASN C 31 4.637 5.693 -3.678 1.00 0.00 H new ATOM 0 HB2 ASN C 31 6.686 7.752 -4.619 1.00 0.00 H new ATOM 0 HB3 ASN C 31 5.518 7.012 -5.695 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.014 10.210 -4.291 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.482 9.833 -5.199 1.00 0.00 H new ATOM 1193 N ILE C 32 7.829 5.063 -4.221 1.00 0.00 N ATOM 1194 CA ILE C 32 8.749 4.070 -4.765 1.00 0.00 C ATOM 1195 C ILE C 32 8.538 2.724 -4.082 1.00 0.00 C ATOM 1196 O ILE C 32 8.534 1.678 -4.732 1.00 0.00 O ATOM 1197 CB ILE C 32 10.196 4.531 -4.569 1.00 0.00 C ATOM 1198 CG1 ILE C 32 10.452 5.768 -5.432 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.151 3.413 -4.996 1.00 0.00 C ATOM 1200 CD1 ILE C 32 11.779 6.409 -5.021 1.00 0.00 C ATOM 0 H ILE C 32 8.279 5.828 -3.718 1.00 0.00 H new ATOM 0 HA ILE C 32 8.551 3.959 -5.831 1.00 0.00 H new ATOM 0 HB ILE C 32 10.362 4.772 -3.519 1.00 0.00 H new ATOM 0 HG12 ILE C 32 10.481 5.490 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.638 6.483 -5.313 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.181 3.741 -4.856 1.00 0.00 H new ATOM 0 HG22 ILE C 32 10.967 2.526 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE C 32 10.985 3.175 -6.047 1.00 0.00 H new ATOM 0 HD11 ILE C 32 11.963 7.291 -5.635 1.00 0.00 H new ATOM 0 HD12 ILE C 32 11.733 6.701 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE C 32 12.588 5.693 -5.163 1.00 0.00 H new ATOM 1212 N ILE C 33 8.375 2.756 -2.764 1.00 0.00 N ATOM 1213 CA ILE C 33 8.183 1.531 -1.997 1.00 0.00 C ATOM 1214 C ILE C 33 6.904 0.825 -2.430 1.00 0.00 C ATOM 1215 O ILE C 33 6.884 -0.393 -2.596 1.00 0.00 O ATOM 1216 CB ILE C 33 8.111 1.860 -0.498 1.00 0.00 C ATOM 1217 CG1 ILE C 33 9.486 2.355 0.002 1.00 0.00 C ATOM 1218 CG2 ILE C 33 7.687 0.607 0.288 1.00 0.00 C ATOM 1219 CD1 ILE C 33 10.377 1.172 0.404 1.00 0.00 C ATOM 0 H ILE C 33 8.372 3.611 -2.208 1.00 0.00 H new ATOM 0 HA ILE C 33 9.029 0.869 -2.182 1.00 0.00 H new ATOM 0 HB ILE C 33 7.375 2.648 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE C 33 9.975 2.935 -0.780 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.350 3.020 0.855 1.00 0.00 H new ATOM 0 HG21 ILE C 33 7.637 0.844 1.351 1.00 0.00 H new ATOM 0 HG22 ILE C 33 6.707 0.276 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE C 33 8.416 -0.187 0.127 1.00 0.00 H new ATOM 0 HD11 ILE C 33 11.340 1.544 0.753 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.895 0.608 1.203 1.00 0.00 H new ATOM 0 HD13 ILE C 33 10.530 0.522 -0.458 1.00 0.00 H new ATOM 1231 N GLY C 34 5.842 1.596 -2.610 1.00 0.00 N ATOM 1232 CA GLY C 34 4.568 1.023 -3.017 1.00 0.00 C ATOM 1233 C GLY C 34 4.697 0.303 -4.354 1.00 0.00 C ATOM 1234 O GLY C 34 4.174 -0.798 -4.532 1.00 0.00 O ATOM 0 H GLY C 34 5.836 2.608 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY C 34 4.219 0.325 -2.256 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.819 1.811 -3.095 1.00 0.00 H new ATOM 1238 N ILE C 35 5.401 0.928 -5.291 1.00 0.00 N ATOM 1239 CA ILE C 35 5.595 0.338 -6.610 1.00 0.00 C ATOM 1240 C ILE C 35 6.408 -0.949 -6.504 1.00 0.00 C ATOM 1241 O ILE C 35 6.093 -1.952 -7.145 1.00 0.00 O ATOM 1242 CB ILE C 35 6.310 1.332 -7.530 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.386 2.522 -7.804 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.658 0.643 -8.857 1.00 0.00 C ATOM 1245 CD1 ILE C 35 6.176 3.634 -8.499 1.00 0.00 C ATOM 0 H ILE C 35 5.844 1.838 -5.163 1.00 0.00 H new ATOM 0 HA ILE C 35 4.618 0.101 -7.031 1.00 0.00 H new ATOM 0 HB ILE C 35 7.225 1.680 -7.050 1.00 0.00 H new ATOM 0 HG12 ILE C 35 4.550 2.210 -8.430 1.00 0.00 H new ATOM 0 HG13 ILE C 35 4.964 2.891 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.167 1.350 -9.512 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.311 -0.208 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.743 0.297 -9.338 1.00 0.00 H new ATOM 0 HD11 ILE C 35 5.518 4.481 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE C 35 6.997 3.953 -7.857 1.00 0.00 H new ATOM 0 HD13 ILE C 35 6.576 3.261 -9.442 1.00 0.00 H new ATOM 1257 N LEU C 36 7.459 -0.909 -5.692 1.00 0.00 N ATOM 1258 CA LEU C 36 8.318 -2.073 -5.515 1.00 0.00 C ATOM 1259 C LEU C 36 7.536 -3.240 -4.932 1.00 0.00 C ATOM 1260 O LEU C 36 7.717 -4.388 -5.342 1.00 0.00 O ATOM 1261 CB LEU C 36 9.487 -1.722 -4.589 1.00 0.00 C ATOM 1262 CG LEU C 36 10.458 -0.774 -5.314 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.461 -0.210 -4.301 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.213 -1.520 -6.439 1.00 0.00 C ATOM 0 H LEU C 36 7.735 -0.090 -5.150 1.00 0.00 H new ATOM 0 HA LEU C 36 8.702 -2.367 -6.492 1.00 0.00 H new ATOM 0 HB2 LEU C 36 9.114 -1.250 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU C 36 10.009 -2.630 -4.286 1.00 0.00 H new ATOM 0 HG LEU C 36 9.889 0.039 -5.764 1.00 0.00 H new ATOM 0 HD11 LEU C 36 12.152 0.463 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.926 0.338 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU C 36 12.019 -1.029 -3.847 1.00 0.00 H new ATOM 0 HD21 LEU C 36 11.894 -0.831 -6.939 1.00 0.00 H new ATOM 0 HD22 LEU C 36 11.781 -2.345 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.496 -1.910 -7.162 1.00 0.00 H new ATOM 1276 N HIS C 37 6.666 -2.945 -3.977 1.00 0.00 N ATOM 1277 CA HIS C 37 5.863 -3.981 -3.345 1.00 0.00 C ATOM 1278 C HIS C 37 5.019 -4.710 -4.380 1.00 0.00 C ATOM 1279 O HIS C 37 4.890 -5.933 -4.343 1.00 0.00 O ATOM 1280 CB HIS C 37 4.947 -3.358 -2.293 1.00 0.00 C ATOM 1281 CG HIS C 37 4.154 -4.443 -1.617 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.261 -4.707 -0.263 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.245 -5.349 -2.100 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.438 -5.733 0.015 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.794 -6.161 -1.068 1.00 0.00 N ATOM 0 H HIS C 37 6.499 -2.003 -3.625 1.00 0.00 H new ATOM 0 HA HIS C 37 6.535 -4.696 -2.870 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.538 -2.812 -1.558 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.275 -2.638 -2.760 1.00 0.00 H new ATOM 0 HD2 HIS C 37 2.927 -5.420 -3.130 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.314 -6.159 1.000 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.116 -6.921 -1.127 1.00 0.00 H new ATOM 1293 N LEU C 38 4.445 -3.953 -5.304 1.00 0.00 N ATOM 1294 CA LEU C 38 3.611 -4.540 -6.346 1.00 0.00 C ATOM 1295 C LEU C 38 4.411 -5.501 -7.208 1.00 0.00 C ATOM 1296 O LEU C 38 3.899 -6.530 -7.632 1.00 0.00 O ATOM 1297 CB LEU C 38 3.004 -3.429 -7.225 1.00 0.00 C ATOM 1298 CG LEU C 38 1.658 -2.965 -6.643 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.307 -1.579 -7.180 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.544 -3.956 -7.035 1.00 0.00 C ATOM 0 H LEU C 38 4.539 -2.939 -5.355 1.00 0.00 H new ATOM 0 HA LEU C 38 2.809 -5.099 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.692 -2.586 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU C 38 2.861 -3.797 -8.241 1.00 0.00 H new ATOM 0 HG LEU C 38 1.743 -2.924 -5.557 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.352 -1.258 -6.763 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.084 -0.870 -6.894 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.233 -1.618 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.405 -3.619 -6.619 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.467 -4.005 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU C 38 0.782 -4.945 -6.643 1.00 0.00 H new ATOM 1312 N ILE C 39 5.655 -5.155 -7.481 1.00 0.00 N ATOM 1313 CA ILE C 39 6.483 -5.999 -8.319 1.00 0.00 C ATOM 1314 C ILE C 39 6.646 -7.377 -7.681 1.00 0.00 C ATOM 1315 O ILE C 39 6.541 -8.394 -8.354 1.00 0.00 O ATOM 1316 CB ILE C 39 7.859 -5.357 -8.488 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.711 -4.040 -9.258 1.00 0.00 C ATOM 1318 CG2 ILE C 39 8.780 -6.300 -9.276 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.054 -3.299 -9.302 1.00 0.00 C ATOM 0 H ILE C 39 6.109 -4.308 -7.140 1.00 0.00 H new ATOM 0 HA ILE C 39 6.004 -6.109 -9.292 1.00 0.00 H new ATOM 0 HB ILE C 39 8.291 -5.167 -7.505 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.364 -4.240 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE C 39 6.957 -3.414 -8.781 1.00 0.00 H new ATOM 0 HG21 ILE C 39 9.760 -5.837 -9.394 1.00 0.00 H new ATOM 0 HG22 ILE C 39 8.886 -7.241 -8.736 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.349 -6.492 -10.259 1.00 0.00 H new ATOM 0 HD11 ILE C 39 8.936 -2.365 -9.852 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.384 -3.083 -8.286 1.00 0.00 H new ATOM 0 HD13 ILE C 39 9.797 -3.922 -9.800 1.00 0.00 H new ATOM 1331 N LEU C 40 6.915 -7.406 -6.383 1.00 0.00 N ATOM 1332 CA LEU C 40 7.084 -8.678 -5.685 1.00 0.00 C ATOM 1333 C LEU C 40 5.737 -9.361 -5.447 1.00 0.00 C ATOM 1334 O LEU C 40 5.588 -10.568 -5.646 1.00 0.00 O ATOM 1335 CB LEU C 40 7.794 -8.446 -4.344 1.00 0.00 C ATOM 1336 CG LEU C 40 9.306 -8.333 -4.563 1.00 0.00 C ATOM 1337 CD1 LEU C 40 9.619 -7.060 -5.347 1.00 0.00 C ATOM 1338 CD2 LEU C 40 10.009 -8.284 -3.208 1.00 0.00 C ATOM 0 H LEU C 40 7.020 -6.578 -5.797 1.00 0.00 H new ATOM 0 HA LEU C 40 7.691 -9.332 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.417 -7.536 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.578 -9.268 -3.662 1.00 0.00 H new ATOM 0 HG LEU C 40 9.657 -9.197 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU C 40 10.695 -6.983 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.116 -7.095 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.270 -6.193 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU C 40 11.085 -8.204 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.656 -7.419 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.788 -9.194 -2.650 1.00 0.00 H new ATOM 1350 N TRP C 41 4.762 -8.578 -5.001 1.00 0.00 N ATOM 1351 CA TRP C 41 3.438 -9.115 -4.714 1.00 0.00 C ATOM 1352 C TRP C 41 2.772 -9.658 -5.972 1.00 0.00 C ATOM 1353 O TRP C 41 2.209 -10.752 -5.964 1.00 0.00 O ATOM 1354 CB TRP C 41 2.560 -8.033 -4.079 1.00 0.00 C ATOM 1355 CG TRP C 41 1.163 -8.550 -3.927 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.716 -9.298 -2.892 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.018 -8.336 -4.803 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.621 -9.587 -3.098 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -1.095 -9.005 -4.254 1.00 0.00 C ATOM 1360 CE3 TRP C 41 -0.156 -7.634 -6.007 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.337 -8.982 -4.881 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.411 -7.604 -6.633 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.495 -8.276 -6.070 1.00 0.00 C ATOM 0 H TRP C 41 4.862 -7.577 -4.831 1.00 0.00 H new ATOM 0 HA TRP C 41 3.555 -9.942 -4.014 1.00 0.00 H new ATOM 0 HB2 TRP C 41 2.962 -7.748 -3.107 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.562 -7.137 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.306 -9.617 -2.045 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.186 -10.160 -2.472 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.680 -7.115 -6.453 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.174 -9.509 -4.447 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.538 -7.058 -7.556 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.459 -8.249 -6.557 1.00 0.00 H new ATOM 1374 N ILE C 42 2.833 -8.888 -7.043 1.00 0.00 N ATOM 1375 CA ILE C 42 2.223 -9.300 -8.297 1.00 0.00 C ATOM 1376 C ILE C 42 2.919 -10.549 -8.829 1.00 0.00 C ATOM 1377 O ILE C 42 2.295 -11.385 -9.482 1.00 0.00 O ATOM 1378 CB ILE C 42 2.325 -8.168 -9.327 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.391 -8.458 -10.504 1.00 0.00 C ATOM 1380 CG2 ILE C 42 3.771 -8.045 -9.841 1.00 0.00 C ATOM 1381 CD1 ILE C 42 1.337 -7.233 -11.419 1.00 0.00 C ATOM 0 H ILE C 42 3.295 -7.979 -7.072 1.00 0.00 H new ATOM 0 HA ILE C 42 1.171 -9.526 -8.121 1.00 0.00 H new ATOM 0 HB ILE C 42 2.035 -7.232 -8.850 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.746 -9.326 -11.060 1.00 0.00 H new ATOM 0 HG13 ILE C 42 0.392 -8.699 -10.140 1.00 0.00 H new ATOM 0 HG21 ILE C 42 3.830 -7.238 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.437 -7.828 -9.006 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.071 -8.982 -10.310 1.00 0.00 H new ATOM 0 HD11 ILE C 42 0.673 -7.435 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE C 42 0.963 -6.376 -10.858 1.00 0.00 H new ATOM 0 HD13 ILE C 42 2.337 -7.013 -11.792 1.00 0.00 H new ATOM 1393 N LEU C 43 4.217 -10.663 -8.558 1.00 0.00 N ATOM 1394 CA LEU C 43 4.975 -11.810 -9.039 1.00 0.00 C ATOM 1395 C LEU C 43 4.384 -13.098 -8.465 1.00 0.00 C ATOM 1396 O LEU C 43 4.199 -14.088 -9.174 1.00 0.00 O ATOM 1397 CB LEU C 43 6.451 -11.674 -8.611 1.00 0.00 C ATOM 1398 CG LEU C 43 7.364 -12.418 -9.593 1.00 0.00 C ATOM 1399 CD1 LEU C 43 8.825 -12.201 -9.194 1.00 0.00 C ATOM 1400 CD2 LEU C 43 7.033 -13.917 -9.590 1.00 0.00 C ATOM 0 H LEU C 43 4.756 -9.987 -8.017 1.00 0.00 H new ATOM 0 HA LEU C 43 4.920 -11.847 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU C 43 6.729 -10.621 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.583 -12.076 -7.606 1.00 0.00 H new ATOM 0 HG LEU C 43 7.204 -12.029 -10.599 1.00 0.00 H new ATOM 0 HD11 LEU C 43 9.475 -12.729 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU C 43 9.055 -11.136 -9.220 1.00 0.00 H new ATOM 0 HD13 LEU C 43 8.987 -12.583 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU C 43 7.687 -14.435 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU C 43 7.182 -14.320 -8.588 1.00 0.00 H new ATOM 0 HD23 LEU C 43 5.995 -14.061 -9.889 1.00 0.00 H new ATOM 1653 N VAL D 28 2.368 11.644 6.877 1.00 0.00 N ATOM 1654 CA VAL D 28 3.510 11.030 7.546 1.00 0.00 C ATOM 1655 C VAL D 28 3.137 9.653 8.084 1.00 0.00 C ATOM 1656 O VAL D 28 3.896 8.694 7.941 1.00 0.00 O ATOM 1657 CB VAL D 28 3.984 11.924 8.697 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.072 11.203 9.496 1.00 0.00 C ATOM 1659 CG2 VAL D 28 4.553 13.226 8.127 1.00 0.00 C ATOM 0 HA VAL D 28 4.316 10.917 6.821 1.00 0.00 H new ATOM 0 HB VAL D 28 3.142 12.146 9.352 1.00 0.00 H new ATOM 0 HG11 VAL D 28 5.407 11.842 10.313 1.00 0.00 H new ATOM 0 HG12 VAL D 28 4.670 10.275 9.902 1.00 0.00 H new ATOM 0 HG13 VAL D 28 5.915 10.979 8.842 1.00 0.00 H new ATOM 0 HG21 VAL D 28 4.891 13.864 8.944 1.00 0.00 H new ATOM 0 HG22 VAL D 28 5.394 12.999 7.472 1.00 0.00 H new ATOM 0 HG23 VAL D 28 3.780 13.743 7.559 1.00 0.00 H new ATOM 1669 N ALA D 29 1.968 9.565 8.707 1.00 0.00 N ATOM 1670 CA ALA D 29 1.507 8.302 9.267 1.00 0.00 C ATOM 1671 C ALA D 29 1.299 7.270 8.168 1.00 0.00 C ATOM 1672 O ALA D 29 1.618 6.096 8.339 1.00 0.00 O ATOM 1673 CB ALA D 29 0.196 8.515 10.026 1.00 0.00 C ATOM 0 H ALA D 29 1.326 10.347 8.836 1.00 0.00 H new ATOM 0 HA ALA D 29 2.269 7.933 9.954 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -0.142 7.566 10.442 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.355 9.229 10.834 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -0.561 8.902 9.344 1.00 0.00 H new ATOM 1679 N ALA D 30 0.762 7.713 7.038 1.00 0.00 N ATOM 1680 CA ALA D 30 0.516 6.813 5.921 1.00 0.00 C ATOM 1681 C ALA D 30 1.816 6.175 5.444 1.00 0.00 C ATOM 1682 O ALA D 30 1.869 4.970 5.196 1.00 0.00 O ATOM 1683 CB ALA D 30 -0.126 7.581 4.769 1.00 0.00 C ATOM 0 H ALA D 30 0.491 8.682 6.872 1.00 0.00 H new ATOM 0 HA ALA D 30 -0.158 6.025 6.257 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -0.308 6.902 3.936 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -1.072 8.010 5.100 1.00 0.00 H new ATOM 0 HB3 ALA D 30 0.542 8.380 4.447 1.00 0.00 H new ATOM 1689 N ASN D 31 2.859 6.985 5.321 1.00 0.00 N ATOM 1690 CA ASN D 31 4.152 6.482 4.873 1.00 0.00 C ATOM 1691 C ASN D 31 4.708 5.473 5.873 1.00 0.00 C ATOM 1692 O ASN D 31 5.245 4.433 5.488 1.00 0.00 O ATOM 1693 CB ASN D 31 5.135 7.645 4.716 1.00 0.00 C ATOM 1694 CG ASN D 31 4.734 8.506 3.520 1.00 0.00 C ATOM 1695 OD1 ASN D 31 3.972 8.061 2.662 1.00 0.00 O ATOM 1696 ND2 ASN D 31 5.206 9.718 3.414 1.00 0.00 N ATOM 0 H ASN D 31 2.837 7.985 5.523 1.00 0.00 H new ATOM 0 HA ASN D 31 4.018 5.986 3.911 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.145 8.249 5.623 1.00 0.00 H new ATOM 0 HB3 ASN D 31 6.146 7.262 4.577 1.00 0.00 H new ATOM 0 HD21 ASN D 31 4.944 10.300 2.618 1.00 0.00 H new ATOM 0 HD22 ASN D 31 5.837 10.084 4.127 1.00 0.00 H new ATOM 1703 N ILE D 32 4.571 5.785 7.156 1.00 0.00 N ATOM 1704 CA ILE D 32 5.056 4.897 8.207 1.00 0.00 C ATOM 1705 C ILE D 32 4.273 3.589 8.200 1.00 0.00 C ATOM 1706 O ILE D 32 4.844 2.509 8.344 1.00 0.00 O ATOM 1707 CB ILE D 32 4.925 5.576 9.572 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.888 6.765 9.639 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.280 4.578 10.679 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.559 7.619 10.864 1.00 0.00 C ATOM 0 H ILE D 32 4.131 6.641 7.493 1.00 0.00 H new ATOM 0 HA ILE D 32 6.107 4.678 8.019 1.00 0.00 H new ATOM 0 HB ILE D 32 3.900 5.921 9.708 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.917 6.410 9.695 1.00 0.00 H new ATOM 0 HG13 ILE D 32 5.807 7.364 8.732 1.00 0.00 H new ATOM 0 HG21 ILE D 32 5.186 5.063 11.650 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.602 3.726 10.632 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.305 4.233 10.543 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.244 8.465 10.912 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.535 7.985 10.788 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.663 7.016 11.766 1.00 0.00 H new ATOM 1722 N ILE D 33 2.957 3.698 8.044 1.00 0.00 N ATOM 1723 CA ILE D 33 2.100 2.518 8.038 1.00 0.00 C ATOM 1724 C ILE D 33 2.456 1.603 6.872 1.00 0.00 C ATOM 1725 O ILE D 33 2.527 0.386 7.029 1.00 0.00 O ATOM 1726 CB ILE D 33 0.628 2.946 7.932 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.193 3.669 9.226 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -0.256 1.706 7.703 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -0.276 2.662 10.285 1.00 0.00 C ATOM 0 H ILE D 33 2.465 4.583 7.921 1.00 0.00 H new ATOM 0 HA ILE D 33 2.253 1.971 8.969 1.00 0.00 H new ATOM 0 HB ILE D 33 0.514 3.630 7.091 1.00 0.00 H new ATOM 0 HG12 ILE D 33 1.025 4.254 9.618 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -0.612 4.370 9.003 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -1.300 2.012 7.628 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.044 1.211 6.780 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -0.139 1.016 8.539 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -0.577 3.196 11.187 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -1.123 2.096 9.899 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.539 1.978 10.523 1.00 0.00 H new ATOM 1741 N GLY D 34 2.672 2.195 5.707 1.00 0.00 N ATOM 1742 CA GLY D 34 3.011 1.411 4.528 1.00 0.00 C ATOM 1743 C GLY D 34 4.298 0.624 4.748 1.00 0.00 C ATOM 1744 O GLY D 34 4.388 -0.553 4.392 1.00 0.00 O ATOM 0 H GLY D 34 2.620 3.202 5.553 1.00 0.00 H new ATOM 0 HA2 GLY D 34 2.196 0.725 4.296 1.00 0.00 H new ATOM 0 HA3 GLY D 34 3.126 2.071 3.668 1.00 0.00 H new ATOM 1748 N ILE D 35 5.293 1.277 5.339 1.00 0.00 N ATOM 1749 CA ILE D 35 6.570 0.627 5.603 1.00 0.00 C ATOM 1750 C ILE D 35 6.388 -0.520 6.594 1.00 0.00 C ATOM 1751 O ILE D 35 6.950 -1.604 6.421 1.00 0.00 O ATOM 1752 CB ILE D 35 7.573 1.643 6.161 1.00 0.00 C ATOM 1753 CG1 ILE D 35 7.909 2.669 5.075 1.00 0.00 C ATOM 1754 CG2 ILE D 35 8.856 0.916 6.589 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.700 3.828 5.688 1.00 0.00 C ATOM 0 H ILE D 35 5.240 2.249 5.642 1.00 0.00 H new ATOM 0 HA ILE D 35 6.954 0.224 4.666 1.00 0.00 H new ATOM 0 HB ILE D 35 7.138 2.149 7.023 1.00 0.00 H new ATOM 0 HG12 ILE D 35 8.491 2.197 4.283 1.00 0.00 H new ATOM 0 HG13 ILE D 35 6.993 3.043 4.618 1.00 0.00 H new ATOM 0 HG21 ILE D 35 9.569 1.639 6.986 1.00 0.00 H new ATOM 0 HG22 ILE D 35 8.618 0.181 7.358 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.293 0.411 5.727 1.00 0.00 H new ATOM 0 HD11 ILE D 35 8.938 4.556 4.913 1.00 0.00 H new ATOM 0 HD12 ILE D 35 8.102 4.306 6.464 1.00 0.00 H new ATOM 0 HD13 ILE D 35 9.624 3.448 6.124 1.00 0.00 H new ATOM 1767 N LEU D 36 5.605 -0.271 7.636 1.00 0.00 N ATOM 1768 CA LEU D 36 5.359 -1.283 8.655 1.00 0.00 C ATOM 1769 C LEU D 36 4.678 -2.504 8.055 1.00 0.00 C ATOM 1770 O LEU D 36 5.006 -3.641 8.396 1.00 0.00 O ATOM 1771 CB LEU D 36 4.482 -0.703 9.769 1.00 0.00 C ATOM 1772 CG LEU D 36 5.290 0.323 10.585 1.00 0.00 C ATOM 1773 CD1 LEU D 36 4.338 1.104 11.499 1.00 0.00 C ATOM 1774 CD2 LEU D 36 6.371 -0.386 11.435 1.00 0.00 C ATOM 0 H LEU D 36 5.132 0.618 7.797 1.00 0.00 H new ATOM 0 HA LEU D 36 6.320 -1.589 9.069 1.00 0.00 H new ATOM 0 HB2 LEU D 36 3.600 -0.227 9.340 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.128 -1.502 10.420 1.00 0.00 H new ATOM 0 HG LEU D 36 5.788 1.009 9.899 1.00 0.00 H new ATOM 0 HD11 LEU D 36 4.906 1.832 12.079 1.00 0.00 H new ATOM 0 HD12 LEU D 36 3.595 1.623 10.893 1.00 0.00 H new ATOM 0 HD13 LEU D 36 3.835 0.413 12.176 1.00 0.00 H new ATOM 0 HD21 LEU D 36 6.931 0.356 12.004 1.00 0.00 H new ATOM 0 HD22 LEU D 36 5.893 -1.085 12.121 1.00 0.00 H new ATOM 0 HD23 LEU D 36 7.051 -0.929 10.779 1.00 0.00 H new ATOM 1786 N HIS D 37 3.731 -2.264 7.159 1.00 0.00 N ATOM 1787 CA HIS D 37 3.010 -3.354 6.517 1.00 0.00 C ATOM 1788 C HIS D 37 3.976 -4.269 5.777 1.00 0.00 C ATOM 1789 O HIS D 37 3.843 -5.492 5.822 1.00 0.00 O ATOM 1790 CB HIS D 37 1.988 -2.789 5.532 1.00 0.00 C ATOM 1791 CG HIS D 37 1.222 -3.922 4.900 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -0.146 -4.064 5.046 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.625 -4.984 4.131 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.512 -5.173 4.380 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.527 -5.769 3.802 1.00 0.00 N ATOM 0 H HIS D 37 3.445 -1.331 6.862 1.00 0.00 H new ATOM 0 HA HIS D 37 2.496 -3.931 7.286 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.303 -2.116 6.048 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.493 -2.203 4.764 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.643 -5.180 3.827 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.527 -5.536 4.321 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.519 -6.619 3.239 1.00 0.00 H new ATOM 1803 N LEU D 38 4.941 -3.675 5.093 1.00 0.00 N ATOM 1804 CA LEU D 38 5.922 -4.450 4.344 1.00 0.00 C ATOM 1805 C LEU D 38 6.724 -5.350 5.265 1.00 0.00 C ATOM 1806 O LEU D 38 7.063 -6.470 4.901 1.00 0.00 O ATOM 1807 CB LEU D 38 6.868 -3.506 3.577 1.00 0.00 C ATOM 1808 CG LEU D 38 6.295 -3.192 2.183 1.00 0.00 C ATOM 1809 CD1 LEU D 38 6.924 -1.913 1.634 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.592 -4.358 1.219 1.00 0.00 C ATOM 0 H LEU D 38 5.067 -2.664 5.040 1.00 0.00 H new ATOM 0 HA LEU D 38 5.386 -5.079 3.633 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.004 -2.582 4.138 1.00 0.00 H new ATOM 0 HB3 LEU D 38 7.851 -3.967 3.478 1.00 0.00 H new ATOM 0 HG LEU D 38 5.217 -3.056 2.270 1.00 0.00 H new ATOM 0 HD11 LEU D 38 6.512 -1.699 0.648 1.00 0.00 H new ATOM 0 HD12 LEU D 38 6.706 -1.083 2.306 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.003 -2.043 1.556 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.184 -4.129 0.235 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.670 -4.500 1.141 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.133 -5.270 1.599 1.00 0.00 H new ATOM 1822 N ILE D 39 7.044 -4.854 6.446 1.00 0.00 N ATOM 1823 CA ILE D 39 7.833 -5.633 7.379 1.00 0.00 C ATOM 1824 C ILE D 39 7.099 -6.921 7.742 1.00 0.00 C ATOM 1825 O ILE D 39 7.693 -7.991 7.779 1.00 0.00 O ATOM 1826 CB ILE D 39 8.074 -4.816 8.650 1.00 0.00 C ATOM 1827 CG1 ILE D 39 8.932 -3.595 8.306 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.812 -5.674 9.687 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.061 -2.682 9.533 1.00 0.00 C ATOM 0 H ILE D 39 6.774 -3.928 6.778 1.00 0.00 H new ATOM 0 HA ILE D 39 8.786 -5.883 6.913 1.00 0.00 H new ATOM 0 HB ILE D 39 7.117 -4.496 9.061 1.00 0.00 H new ATOM 0 HG12 ILE D 39 9.920 -3.916 7.976 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.482 -3.045 7.479 1.00 0.00 H new ATOM 0 HG21 ILE D 39 8.981 -5.088 10.590 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.210 -6.549 9.930 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.770 -5.995 9.278 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.673 -1.816 9.280 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.071 -2.348 9.844 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.531 -3.232 10.348 1.00 0.00 H new ATOM 1841 N LEU D 40 5.809 -6.813 8.024 1.00 0.00 N ATOM 1842 CA LEU D 40 5.020 -7.992 8.378 1.00 0.00 C ATOM 1843 C LEU D 40 4.704 -8.840 7.145 1.00 0.00 C ATOM 1844 O LEU D 40 4.804 -10.068 7.172 1.00 0.00 O ATOM 1845 CB LEU D 40 3.716 -7.560 9.063 1.00 0.00 C ATOM 1846 CG LEU D 40 3.978 -7.254 10.543 1.00 0.00 C ATOM 1847 CD1 LEU D 40 4.861 -6.012 10.663 1.00 0.00 C ATOM 1848 CD2 LEU D 40 2.647 -7.007 11.248 1.00 0.00 C ATOM 0 H LEU D 40 5.289 -5.936 8.016 1.00 0.00 H new ATOM 0 HA LEU D 40 5.609 -8.600 9.065 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.310 -6.678 8.567 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.969 -8.349 8.973 1.00 0.00 H new ATOM 0 HG LEU D 40 4.486 -8.100 11.006 1.00 0.00 H new ATOM 0 HD11 LEU D 40 5.045 -5.797 11.716 1.00 0.00 H new ATOM 0 HD12 LEU D 40 5.810 -6.190 10.157 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.358 -5.162 10.202 1.00 0.00 H new ATOM 0 HD21 LEU D 40 2.828 -6.789 12.301 1.00 0.00 H new ATOM 0 HD22 LEU D 40 2.141 -6.161 10.784 1.00 0.00 H new ATOM 0 HD23 LEU D 40 2.020 -7.895 11.164 1.00 0.00 H new ATOM 1860 N TRP D 41 4.303 -8.171 6.071 1.00 0.00 N ATOM 1861 CA TRP D 41 3.951 -8.867 4.840 1.00 0.00 C ATOM 1862 C TRP D 41 5.152 -9.593 4.247 1.00 0.00 C ATOM 1863 O TRP D 41 5.053 -10.751 3.849 1.00 0.00 O ATOM 1864 CB TRP D 41 3.378 -7.876 3.824 1.00 0.00 C ATOM 1865 CG TRP D 41 3.161 -8.572 2.516 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.064 -9.295 2.189 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.027 -8.589 1.345 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.223 -9.786 0.905 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.408 -9.367 0.343 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.278 -8.014 1.063 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.011 -9.568 -0.895 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.881 -8.211 -0.191 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.246 -8.985 -1.163 1.00 0.00 C ATOM 0 H TRP D 41 4.214 -7.156 6.027 1.00 0.00 H new ATOM 0 HA TRP D 41 3.195 -9.615 5.080 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.437 -7.466 4.191 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.061 -7.037 3.693 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.207 -9.461 2.825 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.546 -10.385 0.433 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.778 -7.419 1.813 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.523 -10.174 -1.644 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.840 -7.761 -0.403 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.714 -9.132 -2.125 1.00 0.00 H new ATOM 1884 N ILE D 42 6.277 -8.903 4.187 1.00 0.00 N ATOM 1885 CA ILE D 42 7.485 -9.492 3.633 1.00 0.00 C ATOM 1886 C ILE D 42 7.937 -10.665 4.494 1.00 0.00 C ATOM 1887 O ILE D 42 8.515 -11.628 3.989 1.00 0.00 O ATOM 1888 CB ILE D 42 8.599 -8.437 3.565 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.736 -8.947 2.675 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.142 -8.147 4.975 1.00 0.00 C ATOM 1891 CD1 ILE D 42 10.742 -7.817 2.446 1.00 0.00 C ATOM 0 H ILE D 42 6.380 -7.942 4.512 1.00 0.00 H new ATOM 0 HA ILE D 42 7.272 -9.852 2.626 1.00 0.00 H new ATOM 0 HB ILE D 42 8.190 -7.518 3.145 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.228 -9.798 3.145 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.339 -9.295 1.721 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.931 -7.398 4.914 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.335 -7.774 5.606 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.545 -9.064 5.405 1.00 0.00 H new ATOM 0 HD11 ILE D 42 11.554 -8.175 1.813 1.00 0.00 H new ATOM 0 HD12 ILE D 42 10.244 -6.979 1.958 1.00 0.00 H new ATOM 0 HD13 ILE D 42 11.146 -7.490 3.404 1.00 0.00 H new ATOM 1903 N LEU D 43 7.687 -10.573 5.797 1.00 0.00 N ATOM 1904 CA LEU D 43 8.098 -11.634 6.708 1.00 0.00 C ATOM 1905 C LEU D 43 7.420 -12.947 6.311 1.00 0.00 C ATOM 1906 O LEU D 43 8.052 -14.001 6.259 1.00 0.00 O ATOM 1907 CB LEU D 43 7.710 -11.259 8.152 1.00 0.00 C ATOM 1908 CG LEU D 43 8.650 -11.939 9.152 1.00 0.00 C ATOM 1909 CD1 LEU D 43 8.300 -11.484 10.571 1.00 0.00 C ATOM 1910 CD2 LEU D 43 8.530 -13.465 9.041 1.00 0.00 C ATOM 0 H LEU D 43 7.210 -9.788 6.240 1.00 0.00 H new ATOM 0 HA LEU D 43 9.179 -11.759 6.650 1.00 0.00 H new ATOM 0 HB2 LEU D 43 7.756 -10.177 8.278 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.681 -11.560 8.348 1.00 0.00 H new ATOM 0 HG LEU D 43 9.678 -11.656 8.927 1.00 0.00 H new ATOM 0 HD11 LEU D 43 8.968 -11.967 11.283 1.00 0.00 H new ATOM 0 HD12 LEU D 43 8.412 -10.402 10.644 1.00 0.00 H new ATOM 0 HD13 LEU D 43 7.269 -11.758 10.797 1.00 0.00 H new ATOM 0 HD21 LEU D 43 9.203 -13.936 9.757 1.00 0.00 H new ATOM 0 HD22 LEU D 43 7.504 -13.766 9.255 1.00 0.00 H new ATOM 0 HD23 LEU D 43 8.797 -13.778 8.032 1.00 0.00 H new