USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 680 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= -0.71 K(o=-0.71,f=-3.4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.56! C(o=-9.6!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -0.948 K(o=-0.95,f=-3.8!) USER MOD Single : B 37 HIS : no HD1:sc= -9.52! C(o=-9.5!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.3!) USER MOD Single : C 37 HIS : no HD1:sc= -9.43! C(o=-9.4!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : D 37 HIS : no HD1:sc= -9.72! C(o=-9.7!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.379 12.626 -5.464 1.00 0.00 N ATOM 108 CA VAL A 27 -1.035 12.340 -4.192 1.00 0.00 C ATOM 109 C VAL A 27 -2.429 11.764 -4.428 1.00 0.00 C ATOM 110 O VAL A 27 -2.805 10.761 -3.823 1.00 0.00 O ATOM 111 CB VAL A 27 -1.135 13.625 -3.362 1.00 0.00 C ATOM 112 CG1 VAL A 27 -1.981 13.371 -2.111 1.00 0.00 C ATOM 113 CG2 VAL A 27 0.268 14.070 -2.942 1.00 0.00 C ATOM 0 HA VAL A 27 -0.442 11.604 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.604 14.404 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.048 14.288 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.981 13.055 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.516 12.590 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.198 14.984 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.735 13.287 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.872 14.257 -3.830 1.00 0.00 H new ATOM 123 N VAL A 28 -3.188 12.405 -5.309 1.00 0.00 N ATOM 124 CA VAL A 28 -4.537 11.947 -5.615 1.00 0.00 C ATOM 125 C VAL A 28 -4.500 10.575 -6.280 1.00 0.00 C ATOM 126 O VAL A 28 -5.265 9.679 -5.920 1.00 0.00 O ATOM 127 CB VAL A 28 -5.232 12.952 -6.537 1.00 0.00 C ATOM 128 CG1 VAL A 28 -6.600 12.407 -6.954 1.00 0.00 C ATOM 129 CG2 VAL A 28 -5.416 14.278 -5.798 1.00 0.00 C ATOM 0 H VAL A 28 -2.895 13.237 -5.821 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.095 11.867 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.620 13.111 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.093 13.124 -7.610 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.470 11.462 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.213 12.246 -6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.911 14.994 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.026 14.118 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.442 14.669 -5.503 1.00 0.00 H new ATOM 139 N ALA A 29 -3.607 10.420 -7.253 1.00 0.00 N ATOM 140 CA ALA A 29 -3.482 9.152 -7.966 1.00 0.00 C ATOM 141 C ALA A 29 -3.009 8.050 -7.026 1.00 0.00 C ATOM 142 O ALA A 29 -3.476 6.915 -7.102 1.00 0.00 O ATOM 143 CB ALA A 29 -2.486 9.297 -9.118 1.00 0.00 C ATOM 0 H ALA A 29 -2.965 11.149 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.462 8.883 -8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.398 8.347 -9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.837 10.064 -9.808 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.512 9.584 -8.723 1.00 0.00 H new ATOM 149 N ALA A 30 -2.078 8.386 -6.143 1.00 0.00 N ATOM 150 CA ALA A 30 -1.549 7.408 -5.202 1.00 0.00 C ATOM 151 C ALA A 30 -2.662 6.835 -4.332 1.00 0.00 C ATOM 152 O ALA A 30 -2.742 5.624 -4.132 1.00 0.00 O ATOM 153 CB ALA A 30 -0.490 8.060 -4.314 1.00 0.00 C ATOM 0 H ALA A 30 -1.676 9.320 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.098 6.595 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.099 7.323 -3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.323 8.438 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.937 8.885 -3.760 1.00 0.00 H new ATOM 159 N ASN A 31 -3.518 7.710 -3.816 1.00 0.00 N ATOM 160 CA ASN A 31 -4.620 7.266 -2.972 1.00 0.00 C ATOM 161 C ASN A 31 -5.578 6.384 -3.768 1.00 0.00 C ATOM 162 O ASN A 31 -6.049 5.359 -3.275 1.00 0.00 O ATOM 163 CB ASN A 31 -5.376 8.479 -2.425 1.00 0.00 C ATOM 164 CG ASN A 31 -4.522 9.204 -1.389 1.00 0.00 C ATOM 165 OD1 ASN A 31 -3.571 8.632 -0.858 1.00 0.00 O ATOM 166 ND2 ASN A 31 -4.807 10.437 -1.071 1.00 0.00 N ATOM 0 H ASN A 31 -3.472 8.718 -3.965 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.212 6.687 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.628 9.158 -3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.315 8.159 -1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.241 10.929 -0.380 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.596 10.908 -1.513 1.00 0.00 H new ATOM 173 N ILE A 32 -5.857 6.788 -5.002 1.00 0.00 N ATOM 174 CA ILE A 32 -6.753 6.028 -5.865 1.00 0.00 C ATOM 175 C ILE A 32 -6.150 4.664 -6.195 1.00 0.00 C ATOM 176 O ILE A 32 -6.844 3.650 -6.183 1.00 0.00 O ATOM 177 CB ILE A 32 -7.025 6.807 -7.158 1.00 0.00 C ATOM 178 CG1 ILE A 32 -7.835 8.064 -6.830 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.820 5.930 -8.131 1.00 0.00 C ATOM 180 CD1 ILE A 32 -7.873 8.982 -8.053 1.00 0.00 C ATOM 0 H ILE A 32 -5.477 7.634 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.694 5.874 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.078 7.089 -7.617 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.848 7.790 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.388 8.586 -5.984 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.012 6.486 -9.049 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.247 5.033 -8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.768 5.646 -7.674 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.450 9.877 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.857 9.267 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.339 8.458 -8.887 1.00 0.00 H new ATOM 192 N ILE A 33 -4.858 4.653 -6.497 1.00 0.00 N ATOM 193 CA ILE A 33 -4.173 3.411 -6.843 1.00 0.00 C ATOM 194 C ILE A 33 -4.215 2.429 -5.670 1.00 0.00 C ATOM 195 O ILE A 33 -4.468 1.239 -5.859 1.00 0.00 O ATOM 196 CB ILE A 33 -2.712 3.717 -7.221 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.656 4.499 -8.558 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.917 2.408 -7.338 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.673 3.549 -9.763 1.00 0.00 C ATOM 0 H ILE A 33 -4.265 5.483 -6.510 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.680 2.954 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.267 4.333 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.504 5.181 -8.618 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.754 5.110 -8.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.884 2.632 -7.606 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.939 1.883 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.363 1.779 -8.108 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.633 4.130 -10.685 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.810 2.885 -9.715 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.588 2.957 -9.747 1.00 0.00 H new ATOM 211 N GLY A 34 -3.967 2.927 -4.463 1.00 0.00 N ATOM 212 CA GLY A 34 -3.983 2.071 -3.280 1.00 0.00 C ATOM 213 C GLY A 34 -5.366 1.455 -3.068 1.00 0.00 C ATOM 214 O GLY A 34 -5.488 0.270 -2.756 1.00 0.00 O ATOM 0 H GLY A 34 -3.755 3.907 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.241 1.280 -3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.702 2.653 -2.402 1.00 0.00 H new ATOM 218 N ILE A 35 -6.404 2.266 -3.246 1.00 0.00 N ATOM 219 CA ILE A 35 -7.775 1.796 -3.074 1.00 0.00 C ATOM 220 C ILE A 35 -8.105 0.730 -4.119 1.00 0.00 C ATOM 221 O ILE A 35 -8.709 -0.300 -3.807 1.00 0.00 O ATOM 222 CB ILE A 35 -8.741 2.978 -3.206 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.530 3.930 -2.024 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.183 2.468 -3.194 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.218 5.266 -2.311 1.00 0.00 C ATOM 0 H ILE A 35 -6.323 3.248 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.879 1.354 -2.083 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.552 3.502 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.935 3.490 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.464 4.087 -1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.868 3.311 -3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.334 1.783 -4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.377 1.946 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.067 5.941 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.793 5.708 -3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.286 5.102 -2.457 1.00 0.00 H new ATOM 237 N LEU A 36 -7.697 0.982 -5.357 1.00 0.00 N ATOM 238 CA LEU A 36 -7.945 0.042 -6.445 1.00 0.00 C ATOM 239 C LEU A 36 -7.241 -1.280 -6.165 1.00 0.00 C ATOM 240 O LEU A 36 -7.780 -2.351 -6.447 1.00 0.00 O ATOM 241 CB LEU A 36 -7.446 0.624 -7.771 1.00 0.00 C ATOM 242 CG LEU A 36 -8.343 1.797 -8.204 1.00 0.00 C ATOM 243 CD1 LEU A 36 -7.652 2.560 -9.338 1.00 0.00 C ATOM 244 CD2 LEU A 36 -9.717 1.286 -8.688 1.00 0.00 C ATOM 0 H LEU A 36 -7.195 1.826 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.018 -0.134 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.416 0.964 -7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.448 -0.149 -8.540 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.502 2.455 -7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.281 3.393 -9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.692 2.941 -8.988 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.491 1.890 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.334 2.132 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.578 0.618 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.210 0.747 -7.879 1.00 0.00 H new ATOM 256 N HIS A 37 -6.042 -1.201 -5.599 1.00 0.00 N ATOM 257 CA HIS A 37 -5.283 -2.402 -5.280 1.00 0.00 C ATOM 258 C HIS A 37 -6.083 -3.285 -4.332 1.00 0.00 C ATOM 259 O HIS A 37 -6.114 -4.507 -4.484 1.00 0.00 O ATOM 260 CB HIS A 37 -3.957 -2.031 -4.615 1.00 0.00 C ATOM 261 CG HIS A 37 -3.175 -3.289 -4.347 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.947 -3.542 -4.936 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.442 -4.383 -3.566 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.532 -4.747 -4.506 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.406 -5.301 -3.667 1.00 0.00 N ATOM 0 H HIS A 37 -5.579 -0.326 -5.354 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.085 -2.941 -6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.386 -1.363 -5.260 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.140 -1.495 -3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.328 -4.512 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.603 -5.209 -4.805 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.330 -6.205 -3.200 1.00 0.00 H new ATOM 273 N LEU A 38 -6.728 -2.662 -3.352 1.00 0.00 N ATOM 274 CA LEU A 38 -7.522 -3.403 -2.380 1.00 0.00 C ATOM 275 C LEU A 38 -8.657 -4.158 -3.060 1.00 0.00 C ATOM 276 O LEU A 38 -8.954 -5.291 -2.691 1.00 0.00 O ATOM 277 CB LEU A 38 -8.090 -2.438 -1.315 1.00 0.00 C ATOM 278 CG LEU A 38 -7.111 -2.316 -0.126 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.343 -1.000 0.614 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.325 -3.487 0.850 1.00 0.00 C ATOM 0 H LEU A 38 -6.717 -1.652 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.873 -4.132 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.260 -1.456 -1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.056 -2.801 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.091 -2.340 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.647 -0.925 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.182 -0.166 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.366 -0.969 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.632 -3.395 1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.349 -3.467 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.146 -4.429 0.332 1.00 0.00 H new ATOM 292 N ILE A 39 -9.295 -3.535 -4.039 1.00 0.00 N ATOM 293 CA ILE A 39 -10.400 -4.187 -4.728 1.00 0.00 C ATOM 294 C ILE A 39 -9.922 -5.456 -5.432 1.00 0.00 C ATOM 295 O ILE A 39 -10.576 -6.495 -5.368 1.00 0.00 O ATOM 296 CB ILE A 39 -11.005 -3.225 -5.754 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.671 -2.060 -5.015 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.053 -3.957 -6.597 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.061 -0.964 -6.011 1.00 0.00 C ATOM 0 H ILE A 39 -9.073 -2.596 -4.370 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.156 -4.461 -3.993 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.218 -2.849 -6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.556 -2.413 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.990 -1.657 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.480 -3.268 -7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.583 -4.791 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.843 -4.334 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.534 -0.139 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.169 -0.602 -6.521 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.759 -1.370 -6.744 1.00 0.00 H new ATOM 311 N LEU A 40 -8.786 -5.364 -6.108 1.00 0.00 N ATOM 312 CA LEU A 40 -8.246 -6.516 -6.820 1.00 0.00 C ATOM 313 C LEU A 40 -7.657 -7.541 -5.848 1.00 0.00 C ATOM 314 O LEU A 40 -7.873 -8.744 -5.999 1.00 0.00 O ATOM 315 CB LEU A 40 -7.174 -6.054 -7.806 1.00 0.00 C ATOM 316 CG LEU A 40 -7.814 -5.167 -8.888 1.00 0.00 C ATOM 317 CD1 LEU A 40 -6.711 -4.563 -9.760 1.00 0.00 C ATOM 318 CD2 LEU A 40 -8.784 -5.992 -9.764 1.00 0.00 C ATOM 0 H LEU A 40 -8.225 -4.515 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.060 -6.996 -7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.397 -5.499 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.693 -6.917 -8.267 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.381 -4.371 -8.406 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.159 -3.933 -10.529 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.046 -3.962 -9.140 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.142 -5.363 -10.233 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.227 -5.347 -10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.238 -6.801 -10.249 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.573 -6.410 -9.139 1.00 0.00 H new ATOM 330 N TRP A 41 -6.908 -7.061 -4.859 1.00 0.00 N ATOM 331 CA TRP A 41 -6.285 -7.947 -3.877 1.00 0.00 C ATOM 332 C TRP A 41 -7.334 -8.643 -3.011 1.00 0.00 C ATOM 333 O TRP A 41 -7.268 -9.856 -2.804 1.00 0.00 O ATOM 334 CB TRP A 41 -5.316 -7.142 -3.001 1.00 0.00 C ATOM 335 CG TRP A 41 -4.848 -7.965 -1.840 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.820 -8.845 -1.864 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.349 -7.962 -0.476 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.683 -9.405 -0.607 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.599 -8.886 0.284 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.380 -7.258 0.170 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.860 -9.102 1.632 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.639 -7.467 1.532 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.880 -8.388 2.260 1.00 0.00 C ATOM 0 H TRP A 41 -6.718 -6.069 -4.716 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.734 -8.721 -4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.460 -6.822 -3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.808 -6.239 -2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.207 -9.073 -2.724 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.990 -10.114 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.977 -6.551 -0.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.276 -9.819 2.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.428 -6.914 2.021 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.084 -8.547 3.309 1.00 0.00 H new ATOM 354 N ILE A 42 -8.291 -7.879 -2.502 1.00 0.00 N ATOM 355 CA ILE A 42 -9.328 -8.454 -1.653 1.00 0.00 C ATOM 356 C ILE A 42 -10.184 -9.429 -2.457 1.00 0.00 C ATOM 357 O ILE A 42 -10.572 -10.487 -1.965 1.00 0.00 O ATOM 358 CB ILE A 42 -10.203 -7.339 -1.054 1.00 0.00 C ATOM 359 CG1 ILE A 42 -11.002 -7.888 0.135 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.181 -6.795 -2.108 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.702 -6.728 0.846 1.00 0.00 C ATOM 0 H ILE A 42 -8.372 -6.874 -2.658 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.853 -8.999 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.551 -6.531 -0.722 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.736 -8.616 -0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.338 -8.407 0.826 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.791 -6.007 -1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.620 -6.390 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.826 -7.602 -2.456 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.272 -7.111 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.957 -6.017 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.377 -6.229 0.150 1.00 0.00 H new ATOM 373 N LEU A 43 -10.476 -9.059 -3.700 1.00 0.00 N ATOM 374 CA LEU A 43 -11.287 -9.902 -4.570 1.00 0.00 C ATOM 375 C LEU A 43 -10.598 -11.239 -4.824 1.00 0.00 C ATOM 376 O LEU A 43 -11.244 -12.286 -4.840 1.00 0.00 O ATOM 377 CB LEU A 43 -11.539 -9.188 -5.906 1.00 0.00 C ATOM 378 CG LEU A 43 -12.361 -10.084 -6.851 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.683 -10.497 -6.184 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.656 -9.308 -8.139 1.00 0.00 C ATOM 0 H LEU A 43 -10.165 -8.186 -4.125 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.239 -10.090 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.069 -8.252 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.588 -8.933 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.791 -10.985 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.252 -11.130 -6.865 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.472 -11.048 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.264 -9.606 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.238 -9.934 -8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.222 -8.408 -7.900 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.718 -9.030 -8.619 1.00 0.00 H new ATOM 392 N ASP A 44 -9.285 -11.198 -5.032 1.00 0.00 N ATOM 393 CA ASP A 44 -8.531 -12.416 -5.294 1.00 0.00 C ATOM 394 C ASP A 44 -8.664 -13.387 -4.126 1.00 0.00 C ATOM 395 O ASP A 44 -8.866 -14.585 -4.324 1.00 0.00 O ATOM 396 CB ASP A 44 -7.056 -12.077 -5.519 1.00 0.00 C ATOM 397 CG ASP A 44 -6.877 -11.381 -6.864 1.00 0.00 C ATOM 398 OD1 ASP A 44 -7.798 -11.432 -7.662 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.822 -10.807 -7.077 1.00 0.00 O ATOM 0 H ASP A 44 -8.728 -10.344 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.934 -12.888 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.697 -11.433 -4.717 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.457 -12.987 -5.489 1.00 0.00 H new ATOM 404 N ARG A 45 -8.556 -12.862 -2.912 1.00 0.00 N ATOM 405 CA ARG A 45 -8.675 -13.695 -1.720 1.00 0.00 C ATOM 406 C ARG A 45 -10.107 -14.197 -1.550 1.00 0.00 C ATOM 407 O ARG A 45 -10.351 -15.167 -0.832 1.00 0.00 O ATOM 408 CB ARG A 45 -8.261 -12.903 -0.476 1.00 0.00 C ATOM 409 CG ARG A 45 -6.744 -12.721 -0.464 1.00 0.00 C ATOM 410 CD ARG A 45 -6.341 -11.903 0.764 1.00 0.00 C ATOM 411 NE ARG A 45 -4.890 -11.754 0.815 1.00 0.00 N ATOM 412 CZ ARG A 45 -4.122 -12.679 1.386 1.00 0.00 C ATOM 413 NH1 ARG A 45 -4.665 -13.745 1.909 1.00 0.00 N ATOM 414 NH2 ARG A 45 -2.827 -12.522 1.420 1.00 0.00 N ATOM 0 H ARG A 45 -8.388 -11.873 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.013 -14.553 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.754 -11.931 -0.471 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.581 -13.427 0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.250 -13.693 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.420 -12.216 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.814 -10.922 0.728 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.696 -12.394 1.670 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.457 -10.926 0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.677 -13.868 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.077 -14.454 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.403 -11.690 1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.239 -13.231 1.858 1.00 0.00 H new ATOM 617 N VAL B 27 7.006 11.789 0.651 1.00 0.00 N ATOM 618 CA VAL B 27 5.709 11.725 -0.013 1.00 0.00 C ATOM 619 C VAL B 27 5.865 11.242 -1.451 1.00 0.00 C ATOM 620 O VAL B 27 5.135 10.361 -1.903 1.00 0.00 O ATOM 621 CB VAL B 27 5.052 13.111 0.003 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.777 13.093 -0.847 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.696 13.488 1.443 1.00 0.00 C ATOM 0 HA VAL B 27 5.077 11.017 0.523 1.00 0.00 H new ATOM 0 HB VAL B 27 5.748 13.843 -0.408 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.315 14.080 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL B 27 4.028 12.826 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.080 12.360 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.229 14.473 1.456 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.003 12.752 1.851 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.602 13.508 2.049 1.00 0.00 H new ATOM 633 N VAL B 28 6.822 11.826 -2.165 1.00 0.00 N ATOM 634 CA VAL B 28 7.065 11.446 -3.552 1.00 0.00 C ATOM 635 C VAL B 28 7.546 10.002 -3.637 1.00 0.00 C ATOM 636 O VAL B 28 7.072 9.226 -4.469 1.00 0.00 O ATOM 637 CB VAL B 28 8.110 12.378 -4.174 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.452 11.898 -5.586 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.547 13.799 -4.239 1.00 0.00 C ATOM 0 H VAL B 28 7.437 12.558 -1.810 1.00 0.00 H new ATOM 0 HA VAL B 28 6.129 11.534 -4.103 1.00 0.00 H new ATOM 0 HB VAL B 28 9.013 12.371 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL B 28 9.195 12.563 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.853 10.886 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.552 11.903 -6.200 1.00 0.00 H new ATOM 0 HG21 VAL B 28 8.289 14.464 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.644 13.805 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.307 14.142 -3.233 1.00 0.00 H new ATOM 649 N ALA B 29 8.492 9.646 -2.773 1.00 0.00 N ATOM 650 CA ALA B 29 9.033 8.293 -2.762 1.00 0.00 C ATOM 651 C ALA B 29 7.960 7.284 -2.370 1.00 0.00 C ATOM 652 O ALA B 29 7.889 6.193 -2.931 1.00 0.00 O ATOM 653 CB ALA B 29 10.197 8.205 -1.773 1.00 0.00 C ATOM 0 H ALA B 29 8.897 10.271 -2.076 1.00 0.00 H new ATOM 0 HA ALA B 29 9.385 8.059 -3.766 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.596 7.191 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA B 29 10.980 8.902 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.845 8.459 -0.773 1.00 0.00 H new ATOM 659 N ALA B 30 7.128 7.653 -1.404 1.00 0.00 N ATOM 660 CA ALA B 30 6.070 6.763 -0.947 1.00 0.00 C ATOM 661 C ALA B 30 5.130 6.403 -2.094 1.00 0.00 C ATOM 662 O ALA B 30 4.775 5.239 -2.272 1.00 0.00 O ATOM 663 CB ALA B 30 5.279 7.432 0.172 1.00 0.00 C ATOM 0 H ALA B 30 7.165 8.553 -0.926 1.00 0.00 H new ATOM 0 HA ALA B 30 6.529 5.847 -0.574 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.489 6.762 0.510 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.945 7.656 1.005 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.837 8.357 -0.198 1.00 0.00 H new ATOM 669 N ASN B 31 4.733 7.407 -2.867 1.00 0.00 N ATOM 670 CA ASN B 31 3.835 7.171 -3.992 1.00 0.00 C ATOM 671 C ASN B 31 4.508 6.275 -5.027 1.00 0.00 C ATOM 672 O ASN B 31 3.886 5.364 -5.576 1.00 0.00 O ATOM 673 CB ASN B 31 3.451 8.502 -4.639 1.00 0.00 C ATOM 674 CG ASN B 31 2.519 9.282 -3.714 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.919 8.705 -2.808 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.364 10.565 -3.893 1.00 0.00 N ATOM 0 H ASN B 31 5.014 8.379 -2.739 1.00 0.00 H new ATOM 0 HA ASN B 31 2.937 6.675 -3.624 1.00 0.00 H new ATOM 0 HB2 ASN B 31 4.347 9.088 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN B 31 2.961 8.323 -5.596 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.743 11.094 -3.280 1.00 0.00 H new ATOM 0 HD22 ASN B 31 2.864 11.039 -4.645 1.00 0.00 H new ATOM 683 N ILE B 32 5.785 6.537 -5.287 1.00 0.00 N ATOM 684 CA ILE B 32 6.541 5.750 -6.254 1.00 0.00 C ATOM 685 C ILE B 32 6.690 4.309 -5.770 1.00 0.00 C ATOM 686 O ILE B 32 6.547 3.366 -6.544 1.00 0.00 O ATOM 687 CB ILE B 32 7.923 6.373 -6.474 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.763 7.726 -7.175 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.775 5.449 -7.351 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.095 8.478 -7.150 1.00 0.00 C ATOM 0 H ILE B 32 6.316 7.286 -4.843 1.00 0.00 H new ATOM 0 HA ILE B 32 5.997 5.747 -7.199 1.00 0.00 H new ATOM 0 HB ILE B 32 8.413 6.511 -5.510 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.437 7.577 -8.204 1.00 0.00 H new ATOM 0 HG13 ILE B 32 6.992 8.315 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.757 5.897 -7.505 1.00 0.00 H new ATOM 0 HG22 ILE B 32 8.889 4.483 -6.858 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.285 5.309 -8.315 1.00 0.00 H new ATOM 0 HD11 ILE B 32 8.979 9.440 -7.649 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.402 8.640 -6.117 1.00 0.00 H new ATOM 0 HD13 ILE B 32 9.854 7.891 -7.666 1.00 0.00 H new ATOM 702 N ILE B 33 6.989 4.153 -4.485 1.00 0.00 N ATOM 703 CA ILE B 33 7.174 2.822 -3.909 1.00 0.00 C ATOM 704 C ILE B 33 5.882 2.007 -4.019 1.00 0.00 C ATOM 705 O ILE B 33 5.914 0.827 -4.371 1.00 0.00 O ATOM 706 CB ILE B 33 7.589 2.955 -2.434 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.018 3.549 -2.329 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.535 1.582 -1.751 1.00 0.00 C ATOM 709 CD1 ILE B 33 10.087 2.454 -2.437 1.00 0.00 C ATOM 0 H ILE B 33 7.108 4.922 -3.826 1.00 0.00 H new ATOM 0 HA ILE B 33 7.957 2.302 -4.461 1.00 0.00 H new ATOM 0 HB ILE B 33 6.895 3.629 -1.932 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.167 4.285 -3.119 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.127 4.074 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.830 1.683 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.520 1.189 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.217 0.897 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE B 33 11.077 2.903 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.952 1.733 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE B 33 9.993 1.947 -3.397 1.00 0.00 H new ATOM 721 N GLY B 34 4.751 2.635 -3.715 1.00 0.00 N ATOM 722 CA GLY B 34 3.466 1.943 -3.789 1.00 0.00 C ATOM 723 C GLY B 34 3.176 1.477 -5.214 1.00 0.00 C ATOM 724 O GLY B 34 2.711 0.356 -5.429 1.00 0.00 O ATOM 0 H GLY B 34 4.695 3.609 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.472 1.085 -3.116 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.671 2.608 -3.451 1.00 0.00 H new ATOM 728 N ILE B 35 3.456 2.342 -6.183 1.00 0.00 N ATOM 729 CA ILE B 35 3.224 2.014 -7.587 1.00 0.00 C ATOM 730 C ILE B 35 4.120 0.853 -8.017 1.00 0.00 C ATOM 731 O ILE B 35 3.675 -0.074 -8.700 1.00 0.00 O ATOM 732 CB ILE B 35 3.506 3.246 -8.452 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.457 4.321 -8.148 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.427 2.864 -9.932 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.912 5.664 -8.721 1.00 0.00 C ATOM 0 H ILE B 35 3.843 3.272 -6.024 1.00 0.00 H new ATOM 0 HA ILE B 35 2.184 1.713 -7.716 1.00 0.00 H new ATOM 0 HB ILE B 35 4.503 3.628 -8.231 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.497 4.038 -8.579 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.311 4.405 -7.071 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.628 3.742 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.166 2.093 -10.149 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.430 2.484 -10.157 1.00 0.00 H new ATOM 0 HD11 ILE B 35 2.163 6.425 -8.503 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.862 5.949 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE B 35 3.036 5.576 -9.800 1.00 0.00 H new ATOM 747 N LEU B 36 5.381 0.908 -7.603 1.00 0.00 N ATOM 748 CA LEU B 36 6.336 -0.141 -7.940 1.00 0.00 C ATOM 749 C LEU B 36 5.886 -1.471 -7.347 1.00 0.00 C ATOM 750 O LEU B 36 6.028 -2.520 -7.975 1.00 0.00 O ATOM 751 CB LEU B 36 7.727 0.220 -7.411 1.00 0.00 C ATOM 752 CG LEU B 36 8.308 1.397 -8.213 1.00 0.00 C ATOM 753 CD1 LEU B 36 9.533 1.947 -7.475 1.00 0.00 C ATOM 754 CD2 LEU B 36 8.719 0.945 -9.632 1.00 0.00 C ATOM 0 H LEU B 36 5.764 1.664 -7.036 1.00 0.00 H new ATOM 0 HA LEU B 36 6.383 -0.234 -9.025 1.00 0.00 H new ATOM 0 HB2 LEU B 36 7.666 0.484 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU B 36 8.388 -0.643 -7.486 1.00 0.00 H new ATOM 0 HG LEU B 36 7.546 2.171 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.952 2.782 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU B 36 9.237 2.289 -6.483 1.00 0.00 H new ATOM 0 HD13 LEU B 36 10.283 1.162 -7.379 1.00 0.00 H new ATOM 0 HD21 LEU B 36 9.127 1.794 -10.180 1.00 0.00 H new ATOM 0 HD22 LEU B 36 9.474 0.163 -9.560 1.00 0.00 H new ATOM 0 HD23 LEU B 36 7.846 0.559 -10.158 1.00 0.00 H new ATOM 766 N HIS B 37 5.338 -1.419 -6.138 1.00 0.00 N ATOM 767 CA HIS B 37 4.865 -2.627 -5.479 1.00 0.00 C ATOM 768 C HIS B 37 3.810 -3.311 -6.337 1.00 0.00 C ATOM 769 O HIS B 37 3.802 -4.534 -6.472 1.00 0.00 O ATOM 770 CB HIS B 37 4.256 -2.285 -4.118 1.00 0.00 C ATOM 771 CG HIS B 37 3.829 -3.558 -3.437 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.381 -3.985 -2.244 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.911 -4.516 -3.785 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.798 -5.155 -1.922 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.894 -5.522 -2.828 1.00 0.00 N ATOM 0 H HIS B 37 5.212 -0.562 -5.600 1.00 0.00 H new ATOM 0 HA HIS B 37 5.714 -3.296 -5.338 1.00 0.00 H new ATOM 0 HB2 HIS B 37 4.983 -1.755 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.401 -1.621 -4.245 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.294 -4.491 -4.671 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.035 -5.726 -1.037 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.314 -6.361 -2.821 1.00 0.00 H new ATOM 783 N LEU B 38 2.919 -2.513 -6.915 1.00 0.00 N ATOM 784 CA LEU B 38 1.857 -3.053 -7.756 1.00 0.00 C ATOM 785 C LEU B 38 2.432 -3.793 -8.956 1.00 0.00 C ATOM 786 O LEU B 38 1.918 -4.839 -9.342 1.00 0.00 O ATOM 787 CB LEU B 38 0.926 -1.915 -8.229 1.00 0.00 C ATOM 788 CG LEU B 38 -0.234 -1.721 -7.227 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.797 -0.305 -7.341 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.357 -2.733 -7.523 1.00 0.00 C ATOM 0 H LEU B 38 2.910 -1.498 -6.818 1.00 0.00 H new ATOM 0 HA LEU B 38 1.281 -3.764 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.492 -0.988 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.528 -2.148 -9.216 1.00 0.00 H new ATOM 0 HG LEU B 38 0.148 -1.880 -6.219 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.614 -0.180 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.011 0.418 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.168 -0.141 -8.353 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.172 -2.591 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.728 -2.579 -8.536 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.967 -3.747 -7.430 1.00 0.00 H new ATOM 802 N ILE B 39 3.484 -3.250 -9.552 1.00 0.00 N ATOM 803 CA ILE B 39 4.081 -3.892 -10.716 1.00 0.00 C ATOM 804 C ILE B 39 4.614 -5.276 -10.353 1.00 0.00 C ATOM 805 O ILE B 39 4.415 -6.242 -11.090 1.00 0.00 O ATOM 806 CB ILE B 39 5.222 -3.023 -11.251 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.641 -1.723 -11.809 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.962 -3.770 -12.366 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.772 -0.736 -12.122 1.00 0.00 C ATOM 0 H ILE B 39 3.935 -2.384 -9.257 1.00 0.00 H new ATOM 0 HA ILE B 39 3.316 -4.006 -11.484 1.00 0.00 H new ATOM 0 HB ILE B 39 5.920 -2.800 -10.444 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.067 -1.930 -12.712 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.953 -1.283 -11.087 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.773 -3.148 -12.744 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.371 -4.700 -11.971 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.268 -3.994 -13.176 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.350 0.187 -12.519 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.328 -0.518 -11.210 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.444 -1.174 -12.860 1.00 0.00 H new ATOM 821 N LEU B 40 5.299 -5.368 -9.221 1.00 0.00 N ATOM 822 CA LEU B 40 5.854 -6.645 -8.787 1.00 0.00 C ATOM 823 C LEU B 40 4.757 -7.580 -8.272 1.00 0.00 C ATOM 824 O LEU B 40 4.751 -8.770 -8.588 1.00 0.00 O ATOM 825 CB LEU B 40 6.894 -6.406 -7.692 1.00 0.00 C ATOM 826 CG LEU B 40 8.080 -5.616 -8.270 1.00 0.00 C ATOM 827 CD1 LEU B 40 9.025 -5.224 -7.131 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.843 -6.462 -9.314 1.00 0.00 C ATOM 0 H LEU B 40 5.483 -4.585 -8.593 1.00 0.00 H new ATOM 0 HA LEU B 40 6.328 -7.123 -9.644 1.00 0.00 H new ATOM 0 HB2 LEU B 40 6.446 -5.855 -6.865 1.00 0.00 H new ATOM 0 HB3 LEU B 40 7.240 -7.359 -7.291 1.00 0.00 H new ATOM 0 HG LEU B 40 7.702 -4.721 -8.764 1.00 0.00 H new ATOM 0 HD11 LEU B 40 9.868 -4.663 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU B 40 8.490 -4.606 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.391 -6.124 -6.636 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.678 -5.884 -9.710 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.221 -7.369 -8.842 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.169 -6.731 -10.128 1.00 0.00 H new ATOM 840 N TRP B 41 3.841 -7.040 -7.473 1.00 0.00 N ATOM 841 CA TRP B 41 2.754 -7.840 -6.915 1.00 0.00 C ATOM 842 C TRP B 41 1.803 -8.329 -8.007 1.00 0.00 C ATOM 843 O TRP B 41 1.439 -9.507 -8.040 1.00 0.00 O ATOM 844 CB TRP B 41 1.989 -7.013 -5.871 1.00 0.00 C ATOM 845 CG TRP B 41 0.730 -7.713 -5.461 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.642 -8.672 -4.510 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.622 -7.493 -5.943 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.678 -9.075 -4.404 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.495 -8.370 -5.263 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.172 -6.626 -6.904 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.860 -8.387 -5.526 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.550 -6.637 -7.163 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.390 -7.514 -6.475 1.00 0.00 C ATOM 0 H TRP B 41 3.829 -6.058 -7.198 1.00 0.00 H new ATOM 0 HA TRP B 41 3.185 -8.719 -6.437 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.620 -6.847 -4.998 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.749 -6.032 -6.281 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.466 -9.059 -3.929 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -1.006 -9.803 -3.769 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.529 -5.948 -7.446 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.506 -9.073 -4.998 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.964 -5.963 -7.899 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.451 -7.516 -6.678 1.00 0.00 H new ATOM 864 N ILE B 42 1.396 -7.427 -8.893 1.00 0.00 N ATOM 865 CA ILE B 42 0.479 -7.801 -9.964 1.00 0.00 C ATOM 866 C ILE B 42 1.150 -8.796 -10.906 1.00 0.00 C ATOM 867 O ILE B 42 0.522 -9.745 -11.374 1.00 0.00 O ATOM 868 CB ILE B 42 0.028 -6.548 -10.737 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.222 -6.869 -11.564 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.143 -6.065 -11.680 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.778 -5.574 -12.158 1.00 0.00 C ATOM 0 H ILE B 42 1.680 -6.447 -8.893 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.400 -8.275 -9.527 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.196 -5.762 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.976 -7.572 -12.360 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.974 -7.348 -10.937 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.806 -5.179 -12.218 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.031 -5.820 -11.098 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.383 -6.853 -12.394 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.667 -5.797 -12.747 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.039 -4.887 -11.353 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.025 -5.114 -12.798 1.00 0.00 H new ATOM 883 N LEU B 43 2.429 -8.568 -11.181 1.00 0.00 N ATOM 884 CA LEU B 43 3.183 -9.445 -12.068 1.00 0.00 C ATOM 885 C LEU B 43 3.260 -10.857 -11.495 1.00 0.00 C ATOM 886 O LEU B 43 3.137 -11.837 -12.229 1.00 0.00 O ATOM 887 CB LEU B 43 4.599 -8.891 -12.278 1.00 0.00 C ATOM 888 CG LEU B 43 5.418 -9.831 -13.180 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.701 -10.042 -14.525 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.796 -9.206 -13.427 1.00 0.00 C ATOM 0 H LEU B 43 2.964 -7.786 -10.804 1.00 0.00 H new ATOM 0 HA LEU B 43 2.667 -9.487 -13.027 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.545 -7.900 -12.729 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.097 -8.776 -11.315 1.00 0.00 H new ATOM 0 HG LEU B 43 5.527 -10.797 -12.688 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.293 -10.709 -15.152 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.720 -10.484 -14.349 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.581 -9.082 -15.028 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.385 -9.864 -14.066 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.675 -8.239 -13.916 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.309 -9.069 -12.475 1.00 0.00 H new ATOM 902 N ASP B 44 3.471 -10.952 -10.186 1.00 0.00 N ATOM 903 CA ASP B 44 3.575 -12.253 -9.539 1.00 0.00 C ATOM 904 C ASP B 44 2.290 -13.049 -9.737 1.00 0.00 C ATOM 905 O ASP B 44 2.330 -14.241 -10.040 1.00 0.00 O ATOM 906 CB ASP B 44 3.843 -12.071 -8.042 1.00 0.00 C ATOM 907 CG ASP B 44 5.268 -11.572 -7.825 1.00 0.00 C ATOM 908 OD1 ASP B 44 6.050 -11.649 -8.755 1.00 0.00 O ATOM 909 OD2 ASP B 44 5.554 -11.119 -6.728 1.00 0.00 O ATOM 0 H ASP B 44 3.572 -10.153 -9.560 1.00 0.00 H new ATOM 0 HA ASP B 44 4.402 -12.801 -9.990 1.00 0.00 H new ATOM 0 HB2 ASP B 44 3.132 -11.361 -7.620 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.696 -13.017 -7.520 1.00 0.00 H new ATOM 914 N ARG B 45 1.154 -12.382 -9.574 1.00 0.00 N ATOM 915 CA ARG B 45 -0.136 -13.041 -9.748 1.00 0.00 C ATOM 916 C ARG B 45 -0.371 -13.397 -11.214 1.00 0.00 C ATOM 917 O ARG B 45 -1.209 -14.241 -11.527 1.00 0.00 O ATOM 918 CB ARG B 45 -1.265 -12.133 -9.255 1.00 0.00 C ATOM 919 CG ARG B 45 -1.253 -12.077 -7.727 1.00 0.00 C ATOM 920 CD ARG B 45 -2.363 -11.144 -7.243 1.00 0.00 C ATOM 921 NE ARG B 45 -2.394 -11.110 -5.785 1.00 0.00 N ATOM 922 CZ ARG B 45 -3.081 -12.014 -5.089 1.00 0.00 C ATOM 923 NH1 ARG B 45 -3.738 -12.954 -5.712 1.00 0.00 N ATOM 924 NH2 ARG B 45 -3.094 -11.963 -3.786 1.00 0.00 N ATOM 0 H ARG B 45 1.098 -11.395 -9.324 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.128 -13.959 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.144 -11.131 -9.666 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.226 -12.508 -9.607 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.397 -13.076 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.285 -11.722 -7.373 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.200 -10.140 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -3.325 -11.483 -7.626 1.00 0.00 H new ATOM 0 HE ARG B 45 -1.880 -10.381 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.725 -12.996 -6.731 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.264 -13.647 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -2.578 -11.230 -3.299 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.620 -12.656 -3.254 1.00 0.00 H new ATOM 1127 N VAL C 27 0.827 11.199 7.900 1.00 0.00 N ATOM 1128 CA VAL C 27 1.477 11.152 6.596 1.00 0.00 C ATOM 1129 C VAL C 27 2.841 10.472 6.703 1.00 0.00 C ATOM 1130 O VAL C 27 3.174 9.600 5.902 1.00 0.00 O ATOM 1131 CB VAL C 27 1.650 12.576 6.047 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.501 12.546 4.775 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.275 13.169 5.723 1.00 0.00 C ATOM 0 HA VAL C 27 0.850 10.576 5.916 1.00 0.00 H new ATOM 0 HB VAL C 27 2.148 13.189 6.798 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.619 13.560 4.392 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.481 12.128 5.003 1.00 0.00 H new ATOM 0 HG13 VAL C 27 2.009 11.929 4.023 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.397 14.180 5.333 1.00 0.00 H new ATOM 0 HG22 VAL C 27 -0.221 12.550 4.976 1.00 0.00 H new ATOM 0 HG23 VAL C 27 -0.330 13.200 6.629 1.00 0.00 H new ATOM 1143 N VAL C 28 3.622 10.880 7.698 1.00 0.00 N ATOM 1144 CA VAL C 28 4.948 10.303 7.901 1.00 0.00 C ATOM 1145 C VAL C 28 4.840 8.826 8.265 1.00 0.00 C ATOM 1146 O VAL C 28 5.564 7.988 7.727 1.00 0.00 O ATOM 1147 CB VAL C 28 5.683 11.059 9.009 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.020 10.374 9.301 1.00 0.00 C ATOM 1149 CG2 VAL C 28 5.936 12.500 8.559 1.00 0.00 C ATOM 0 H VAL C 28 3.364 11.601 8.371 1.00 0.00 H new ATOM 0 HA VAL C 28 5.510 10.392 6.971 1.00 0.00 H new ATOM 0 HB VAL C 28 5.073 11.060 9.913 1.00 0.00 H new ATOM 0 HG11 VAL C 28 7.541 10.915 10.091 1.00 0.00 H new ATOM 0 HG12 VAL C 28 6.841 9.348 9.622 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.632 10.371 8.399 1.00 0.00 H new ATOM 0 HG21 VAL C 28 6.460 13.041 9.347 1.00 0.00 H new ATOM 0 HG22 VAL C 28 6.545 12.497 7.655 1.00 0.00 H new ATOM 0 HG23 VAL C 28 4.984 12.990 8.354 1.00 0.00 H new ATOM 1159 N ALA C 29 3.935 8.515 9.187 1.00 0.00 N ATOM 1160 CA ALA C 29 3.743 7.135 9.622 1.00 0.00 C ATOM 1161 C ALA C 29 3.227 6.274 8.476 1.00 0.00 C ATOM 1162 O ALA C 29 3.639 5.127 8.315 1.00 0.00 O ATOM 1163 CB ALA C 29 2.747 7.085 10.783 1.00 0.00 C ATOM 0 H ALA C 29 3.327 9.194 9.645 1.00 0.00 H new ATOM 0 HA ALA C 29 4.707 6.745 9.950 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.610 6.051 11.101 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.130 7.673 11.617 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.790 7.495 10.459 1.00 0.00 H new ATOM 1169 N ALA C 30 2.320 6.831 7.683 1.00 0.00 N ATOM 1170 CA ALA C 30 1.752 6.094 6.562 1.00 0.00 C ATOM 1171 C ALA C 30 2.844 5.662 5.590 1.00 0.00 C ATOM 1172 O ALA C 30 2.869 4.514 5.143 1.00 0.00 O ATOM 1173 CB ALA C 30 0.733 6.965 5.831 1.00 0.00 C ATOM 0 H ALA C 30 1.965 7.781 7.793 1.00 0.00 H new ATOM 0 HA ALA C 30 1.259 5.203 6.952 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.312 6.408 4.994 1.00 0.00 H new ATOM 0 HB2 ALA C 30 -0.065 7.246 6.518 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.224 7.864 5.458 1.00 0.00 H new ATOM 1179 N ASN C 31 3.744 6.582 5.266 1.00 0.00 N ATOM 1180 CA ASN C 31 4.832 6.274 4.345 1.00 0.00 C ATOM 1181 C ASN C 31 5.741 5.200 4.937 1.00 0.00 C ATOM 1182 O ASN C 31 6.166 4.279 4.242 1.00 0.00 O ATOM 1183 CB ASN C 31 5.647 7.537 4.063 1.00 0.00 C ATOM 1184 CG ASN C 31 4.834 8.502 3.207 1.00 0.00 C ATOM 1185 OD1 ASN C 31 3.857 8.101 2.573 1.00 0.00 O ATOM 1186 ND2 ASN C 31 5.180 9.759 3.149 1.00 0.00 N ATOM 0 H ASN C 31 3.744 7.538 5.622 1.00 0.00 H new ATOM 0 HA ASN C 31 4.405 5.902 3.413 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.926 8.017 5.001 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.573 7.275 3.551 1.00 0.00 H new ATOM 0 HD21 ASN C 31 4.641 10.410 2.578 1.00 0.00 H new ATOM 0 HD22 ASN C 31 5.989 10.090 3.674 1.00 0.00 H new ATOM 1193 N ILE C 32 6.027 5.326 6.228 1.00 0.00 N ATOM 1194 CA ILE C 32 6.881 4.362 6.913 1.00 0.00 C ATOM 1195 C ILE C 32 6.213 2.990 6.953 1.00 0.00 C ATOM 1196 O ILE C 32 6.857 1.966 6.731 1.00 0.00 O ATOM 1197 CB ILE C 32 7.179 4.841 8.339 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.051 6.098 8.277 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.926 3.745 9.108 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.121 6.741 9.665 1.00 0.00 C ATOM 0 H ILE C 32 5.682 6.082 6.819 1.00 0.00 H new ATOM 0 HA ILE C 32 7.818 4.278 6.363 1.00 0.00 H new ATOM 0 HB ILE C 32 6.242 5.065 8.848 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.053 5.842 7.933 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.638 6.805 7.558 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.136 4.090 10.121 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.311 2.846 9.151 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.864 3.519 8.600 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.742 7.636 9.621 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.117 7.012 9.992 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.554 6.034 10.372 1.00 0.00 H new ATOM 1212 N ILE C 33 4.918 2.977 7.250 1.00 0.00 N ATOM 1213 CA ILE C 33 4.173 1.724 7.333 1.00 0.00 C ATOM 1214 C ILE C 33 4.179 1.005 5.981 1.00 0.00 C ATOM 1215 O ILE C 33 4.374 -0.209 5.919 1.00 0.00 O ATOM 1216 CB ILE C 33 2.725 2.015 7.769 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.696 2.506 9.238 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.869 0.748 7.617 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.657 1.327 10.221 1.00 0.00 C ATOM 0 H ILE C 33 4.365 3.813 7.436 1.00 0.00 H new ATOM 0 HA ILE C 33 4.650 1.077 8.069 1.00 0.00 H new ATOM 0 HB ILE C 33 2.315 2.799 7.132 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.576 3.118 9.436 1.00 0.00 H new ATOM 0 HG13 ILE C 33 1.824 3.141 9.394 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.846 0.961 7.927 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.873 0.429 6.575 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.280 -0.046 8.241 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.637 1.706 11.243 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.764 0.730 10.038 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.542 0.707 10.081 1.00 0.00 H new ATOM 1231 N GLY C 34 3.964 1.755 4.906 1.00 0.00 N ATOM 1232 CA GLY C 34 3.949 1.162 3.569 1.00 0.00 C ATOM 1233 C GLY C 34 5.301 0.536 3.232 1.00 0.00 C ATOM 1234 O GLY C 34 5.369 -0.563 2.680 1.00 0.00 O ATOM 0 H GLY C 34 3.800 2.761 4.930 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.169 0.403 3.513 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.704 1.926 2.831 1.00 0.00 H new ATOM 1238 N ILE C 35 6.374 1.243 3.572 1.00 0.00 N ATOM 1239 CA ILE C 35 7.725 0.753 3.304 1.00 0.00 C ATOM 1240 C ILE C 35 7.996 -0.519 4.104 1.00 0.00 C ATOM 1241 O ILE C 35 8.553 -1.491 3.584 1.00 0.00 O ATOM 1242 CB ILE C 35 8.741 1.836 3.676 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.584 3.021 2.717 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.159 1.272 3.556 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.327 4.235 3.275 1.00 0.00 C ATOM 0 H ILE C 35 6.337 2.153 4.031 1.00 0.00 H new ATOM 0 HA ILE C 35 7.818 0.519 2.243 1.00 0.00 H new ATOM 0 HB ILE C 35 8.568 2.164 4.701 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.978 2.761 1.734 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.528 3.257 2.585 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.881 2.044 3.821 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.271 0.423 4.230 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.336 0.947 2.531 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.214 5.076 2.591 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.913 4.500 4.248 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.385 3.996 3.384 1.00 0.00 H new ATOM 1257 N LEU C 36 7.590 -0.509 5.369 1.00 0.00 N ATOM 1258 CA LEU C 36 7.784 -1.665 6.238 1.00 0.00 C ATOM 1259 C LEU C 36 7.023 -2.867 5.692 1.00 0.00 C ATOM 1260 O LEU C 36 7.508 -3.995 5.745 1.00 0.00 O ATOM 1261 CB LEU C 36 7.305 -1.348 7.657 1.00 0.00 C ATOM 1262 CG LEU C 36 8.252 -0.334 8.320 1.00 0.00 C ATOM 1263 CD1 LEU C 36 7.588 0.210 9.590 1.00 0.00 C ATOM 1264 CD2 LEU C 36 9.598 -0.999 8.685 1.00 0.00 C ATOM 0 H LEU C 36 7.126 0.283 5.814 1.00 0.00 H new ATOM 0 HA LEU C 36 8.848 -1.902 6.268 1.00 0.00 H new ATOM 0 HB2 LEU C 36 6.293 -0.945 7.626 1.00 0.00 H new ATOM 0 HB3 LEU C 36 7.266 -2.262 8.249 1.00 0.00 H new ATOM 0 HG LEU C 36 8.449 0.478 7.620 1.00 0.00 H new ATOM 0 HD11 LEU C 36 8.252 0.930 10.068 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.650 0.699 9.329 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.390 -0.612 10.278 1.00 0.00 H new ATOM 0 HD21 LEU C 36 10.252 -0.263 9.153 1.00 0.00 H new ATOM 0 HD22 LEU C 36 9.421 -1.821 9.379 1.00 0.00 H new ATOM 0 HD23 LEU C 36 10.071 -1.383 7.781 1.00 0.00 H new ATOM 1276 N HIS C 37 5.833 -2.615 5.158 1.00 0.00 N ATOM 1277 CA HIS C 37 5.022 -3.686 4.598 1.00 0.00 C ATOM 1278 C HIS C 37 5.785 -4.390 3.485 1.00 0.00 C ATOM 1279 O HIS C 37 5.758 -5.617 3.380 1.00 0.00 O ATOM 1280 CB HIS C 37 3.718 -3.124 4.028 1.00 0.00 C ATOM 1281 CG HIS C 37 2.879 -4.259 3.508 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.638 -4.573 4.040 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.101 -5.179 2.516 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.172 -5.641 3.367 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.023 -6.049 2.428 1.00 0.00 N ATOM 0 H HIS C 37 5.413 -1.687 5.102 1.00 0.00 H new ATOM 0 HA HIS C 37 4.794 -4.395 5.394 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.175 -2.578 4.799 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.932 -2.417 3.227 1.00 0.00 H new ATOM 0 HD2 HIS C 37 3.984 -5.221 1.895 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.220 -6.112 3.565 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.908 -6.831 1.784 1.00 0.00 H new ATOM 1293 N LEU C 38 6.466 -3.609 2.656 1.00 0.00 N ATOM 1294 CA LEU C 38 7.233 -4.170 1.548 1.00 0.00 C ATOM 1295 C LEU C 38 8.325 -5.104 2.055 1.00 0.00 C ATOM 1296 O LEU C 38 8.571 -6.148 1.458 1.00 0.00 O ATOM 1297 CB LEU C 38 7.853 -3.035 0.706 1.00 0.00 C ATOM 1298 CG LEU C 38 6.889 -2.622 -0.428 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.187 -1.194 -0.879 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.052 -3.571 -1.629 1.00 0.00 C ATOM 0 H LEU C 38 6.504 -2.592 2.728 1.00 0.00 H new ATOM 0 HA LEU C 38 6.554 -4.750 0.923 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.067 -2.176 1.342 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.803 -3.363 0.284 1.00 0.00 H new ATOM 0 HG LEU C 38 5.868 -2.679 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.501 -0.914 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.060 -0.513 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.213 -1.134 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.369 -3.273 -2.424 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.078 -3.522 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.825 -4.591 -1.320 1.00 0.00 H new ATOM 1312 N ILE C 39 8.984 -4.727 3.140 1.00 0.00 N ATOM 1313 CA ILE C 39 10.053 -5.558 3.677 1.00 0.00 C ATOM 1314 C ILE C 39 9.510 -6.921 4.103 1.00 0.00 C ATOM 1315 O ILE C 39 10.114 -7.955 3.824 1.00 0.00 O ATOM 1316 CB ILE C 39 10.693 -4.859 4.878 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.420 -3.601 4.396 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.698 -5.801 5.550 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.854 -2.755 5.596 1.00 0.00 C ATOM 0 H ILE C 39 8.803 -3.868 3.659 1.00 0.00 H new ATOM 0 HA ILE C 39 10.803 -5.709 2.900 1.00 0.00 H new ATOM 0 HB ILE C 39 9.919 -4.588 5.596 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.291 -3.879 3.803 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.765 -3.019 3.748 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.152 -5.299 6.405 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.184 -6.701 5.888 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.475 -6.074 4.836 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.370 -1.862 5.244 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.976 -2.463 6.172 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.525 -3.337 6.228 1.00 0.00 H new ATOM 1331 N LEU C 40 8.373 -6.919 4.786 1.00 0.00 N ATOM 1332 CA LEU C 40 7.775 -8.165 5.244 1.00 0.00 C ATOM 1333 C LEU C 40 7.146 -8.937 4.083 1.00 0.00 C ATOM 1334 O LEU C 40 7.303 -10.154 3.981 1.00 0.00 O ATOM 1335 CB LEU C 40 6.718 -7.867 6.308 1.00 0.00 C ATOM 1336 CG LEU C 40 7.391 -7.255 7.548 1.00 0.00 C ATOM 1337 CD1 LEU C 40 6.311 -6.793 8.528 1.00 0.00 C ATOM 1338 CD2 LEU C 40 8.312 -8.288 8.233 1.00 0.00 C ATOM 0 H LEU C 40 7.851 -6.078 5.033 1.00 0.00 H new ATOM 0 HA LEU C 40 8.561 -8.786 5.673 1.00 0.00 H new ATOM 0 HB2 LEU C 40 5.971 -7.179 5.911 1.00 0.00 H new ATOM 0 HB3 LEU C 40 6.194 -8.783 6.581 1.00 0.00 H new ATOM 0 HG LEU C 40 7.999 -6.405 7.239 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.782 -6.358 9.410 1.00 0.00 H new ATOM 0 HD12 LEU C 40 5.680 -6.046 8.048 1.00 0.00 H new ATOM 0 HD13 LEU C 40 5.701 -7.646 8.826 1.00 0.00 H new ATOM 0 HD21 LEU C 40 8.779 -7.836 9.108 1.00 0.00 H new ATOM 0 HD22 LEU C 40 7.723 -9.152 8.542 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.085 -8.607 7.534 1.00 0.00 H new ATOM 1350 N TRP C 41 6.428 -8.227 3.216 1.00 0.00 N ATOM 1351 CA TRP C 41 5.773 -8.862 2.072 1.00 0.00 C ATOM 1352 C TRP C 41 6.795 -9.412 1.079 1.00 0.00 C ATOM 1353 O TRP C 41 6.674 -10.550 0.624 1.00 0.00 O ATOM 1354 CB TRP C 41 4.847 -7.848 1.384 1.00 0.00 C ATOM 1355 CG TRP C 41 4.352 -8.387 0.078 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.284 -9.203 -0.081 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.862 -8.126 -1.258 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.129 -9.484 -1.426 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.074 -8.835 -2.192 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.931 -7.352 -1.746 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.336 -8.778 -3.556 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.188 -7.288 -3.122 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.392 -7.998 -4.023 1.00 0.00 C ATOM 0 H TRP C 41 6.285 -7.219 3.281 1.00 0.00 H new ATOM 0 HA TRP C 41 5.184 -9.704 2.435 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.002 -7.621 2.033 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.382 -6.913 1.218 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.655 -9.575 0.714 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.406 -10.095 -1.804 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.557 -6.805 -1.057 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.724 -9.335 -4.250 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.007 -6.686 -3.488 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.595 -7.943 -5.082 1.00 0.00 H new ATOM 1374 N ILE C 42 7.790 -8.606 0.736 1.00 0.00 N ATOM 1375 CA ILE C 42 8.807 -9.041 -0.214 1.00 0.00 C ATOM 1376 C ILE C 42 9.609 -10.201 0.370 1.00 0.00 C ATOM 1377 O ILE C 42 9.949 -11.153 -0.334 1.00 0.00 O ATOM 1378 CB ILE C 42 9.737 -7.868 -0.571 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.518 -8.197 -1.849 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.731 -7.602 0.571 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.278 -6.950 -2.307 1.00 0.00 C ATOM 0 H ILE C 42 7.915 -7.660 1.095 1.00 0.00 H new ATOM 0 HA ILE C 42 8.316 -9.382 -1.125 1.00 0.00 H new ATOM 0 HB ILE C 42 9.127 -6.979 -0.728 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.214 -9.015 -1.664 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.836 -8.530 -2.631 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.381 -6.769 0.301 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.183 -7.355 1.480 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.335 -8.493 0.742 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.836 -7.177 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.570 -6.146 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.970 -6.638 -1.525 1.00 0.00 H new ATOM 1393 N LEU C 43 9.906 -10.110 1.661 1.00 0.00 N ATOM 1394 CA LEU C 43 10.670 -11.153 2.337 1.00 0.00 C ATOM 1395 C LEU C 43 9.917 -12.479 2.308 1.00 0.00 C ATOM 1396 O LEU C 43 10.513 -13.536 2.104 1.00 0.00 O ATOM 1397 CB LEU C 43 10.946 -10.744 3.791 1.00 0.00 C ATOM 1398 CG LEU C 43 11.716 -11.854 4.528 1.00 0.00 C ATOM 1399 CD1 LEU C 43 13.022 -12.182 3.787 1.00 0.00 C ATOM 1400 CD2 LEU C 43 12.039 -11.377 5.948 1.00 0.00 C ATOM 0 H LEU C 43 9.632 -9.330 2.258 1.00 0.00 H new ATOM 0 HA LEU C 43 11.617 -11.279 1.812 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.522 -9.819 3.811 1.00 0.00 H new ATOM 0 HB3 LEU C 43 10.005 -10.545 4.303 1.00 0.00 H new ATOM 0 HG LEU C 43 11.101 -12.753 4.566 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.555 -12.969 4.321 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.792 -12.520 2.777 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.646 -11.290 3.738 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.585 -12.157 6.479 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.650 -10.476 5.899 1.00 0.00 H new ATOM 0 HD23 LEU C 43 11.112 -11.158 6.478 1.00 0.00 H new ATOM 1412 N ASP C 44 8.607 -12.419 2.524 1.00 0.00 N ATOM 1413 CA ASP C 44 7.793 -13.628 2.531 1.00 0.00 C ATOM 1414 C ASP C 44 7.889 -14.340 1.186 1.00 0.00 C ATOM 1415 O ASP C 44 8.034 -15.562 1.129 1.00 0.00 O ATOM 1416 CB ASP C 44 6.333 -13.273 2.822 1.00 0.00 C ATOM 1417 CG ASP C 44 6.179 -12.864 4.282 1.00 0.00 C ATOM 1418 OD1 ASP C 44 7.089 -13.123 5.052 1.00 0.00 O ATOM 1419 OD2 ASP C 44 5.149 -12.296 4.611 1.00 0.00 O ATOM 0 H ASP C 44 8.091 -11.556 2.695 1.00 0.00 H new ATOM 0 HA ASP C 44 8.165 -14.293 3.310 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.011 -12.460 2.172 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.692 -14.127 2.605 1.00 0.00 H new ATOM 1424 N ARG C 45 7.816 -13.572 0.106 1.00 0.00 N ATOM 1425 CA ARG C 45 7.907 -14.144 -1.232 1.00 0.00 C ATOM 1426 C ARG C 45 9.314 -14.669 -1.506 1.00 0.00 C ATOM 1427 O ARG C 45 9.518 -15.479 -2.410 1.00 0.00 O ATOM 1428 CB ARG C 45 7.538 -13.095 -2.285 1.00 0.00 C ATOM 1429 CG ARG C 45 6.031 -12.841 -2.256 1.00 0.00 C ATOM 1430 CD ARG C 45 5.677 -11.768 -3.286 1.00 0.00 C ATOM 1431 NE ARG C 45 4.235 -11.542 -3.302 1.00 0.00 N ATOM 1432 CZ ARG C 45 3.430 -12.290 -4.054 1.00 0.00 C ATOM 1433 NH1 ARG C 45 3.926 -13.249 -4.787 1.00 0.00 N ATOM 1434 NH2 ARG C 45 2.145 -12.067 -4.055 1.00 0.00 N ATOM 0 H ARG C 45 7.695 -12.559 0.129 1.00 0.00 H new ATOM 0 HA ARG C 45 7.205 -14.976 -1.289 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.076 -12.167 -2.092 1.00 0.00 H new ATOM 0 HB3 ARG C 45 7.839 -13.438 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG C 45 5.491 -13.763 -2.475 1.00 0.00 H new ATOM 0 HG3 ARG C 45 5.724 -12.520 -1.260 1.00 0.00 H new ATOM 0 HD2 ARG C 45 6.196 -10.839 -3.048 1.00 0.00 H new ATOM 0 HD3 ARG C 45 6.015 -12.077 -4.275 1.00 0.00 H new ATOM 0 HE ARG C 45 3.837 -10.799 -2.728 1.00 0.00 H new ATOM 0 HH11 ARG C 45 4.931 -13.426 -4.784 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.309 -13.822 -5.363 1.00 0.00 H new ATOM 0 HH21 ARG C 45 1.757 -11.320 -3.480 1.00 0.00 H new ATOM 0 HH22 ARG C 45 1.528 -12.640 -4.631 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.602 11.977 1.912 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.310 11.717 2.537 1.00 0.00 C ATOM 1639 C VAL D 27 -5.495 10.946 3.842 1.00 0.00 C ATOM 1640 O VAL D 27 -4.807 9.957 4.091 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.591 13.043 2.812 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.330 12.792 3.642 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.199 13.693 1.483 1.00 0.00 C ATOM 0 HA VAL D 27 -4.707 11.114 1.858 1.00 0.00 H new ATOM 0 HB VAL D 27 -5.259 13.704 3.365 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.825 13.739 3.833 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.605 12.330 4.590 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.661 12.128 3.095 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.688 14.636 1.676 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.535 13.026 0.934 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.095 13.881 0.891 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.428 11.407 4.669 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.690 10.752 5.945 1.00 0.00 C ATOM 1655 C VAL D 28 -7.235 9.343 5.721 1.00 0.00 C ATOM 1656 O VAL D 28 -6.801 8.389 6.366 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.696 11.573 6.755 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -8.063 10.819 8.036 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -7.070 12.923 7.119 1.00 0.00 C ATOM 0 H VAL D 28 -7.010 12.223 4.481 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.753 10.681 6.498 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.596 11.734 6.161 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.779 11.406 8.611 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.506 9.857 7.778 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -7.165 10.657 8.633 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.784 13.511 7.696 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -6.171 12.759 7.713 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.810 13.461 6.207 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.193 9.223 4.807 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.794 7.928 4.509 1.00 0.00 C ATOM 1671 C ALA D 29 -7.764 6.981 3.906 1.00 0.00 C ATOM 1672 O ALA D 29 -7.743 5.792 4.220 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.956 8.102 3.529 1.00 0.00 C ATOM 0 H ALA D 29 -8.567 10.001 4.264 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.163 7.502 5.442 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.398 7.130 3.313 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.710 8.753 3.971 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.589 8.547 2.604 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.913 7.511 3.036 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.892 6.693 2.394 1.00 0.00 C ATOM 1681 C ALA D 30 -4.976 6.056 3.431 1.00 0.00 C ATOM 1682 O ALA D 30 -4.674 4.865 3.356 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.065 7.552 1.438 1.00 0.00 C ATOM 0 H ALA D 30 -6.909 8.493 2.761 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.389 5.900 1.836 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.303 6.935 0.961 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.717 7.978 0.675 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.584 8.356 1.995 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.536 6.852 4.399 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.655 6.342 5.443 1.00 0.00 C ATOM 1691 C ASN D 31 -4.371 5.277 6.269 1.00 0.00 C ATOM 1692 O ASN D 31 -3.792 4.245 6.606 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.214 7.487 6.357 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.246 8.404 5.614 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.669 8.009 4.602 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.035 9.612 6.062 1.00 0.00 N ATOM 0 H ASN D 31 -4.771 7.841 4.483 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.779 5.896 4.972 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -4.084 8.054 6.688 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -2.735 7.086 7.251 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.390 10.232 5.572 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -2.515 9.936 6.901 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.635 5.535 6.585 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.430 4.593 7.366 1.00 0.00 C ATOM 1705 C ILE D 32 -6.642 3.297 6.588 1.00 0.00 C ATOM 1706 O ILE D 32 -6.542 2.204 7.143 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.784 5.216 7.724 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.565 6.380 8.696 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.679 4.163 8.389 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -8.861 7.177 8.841 1.00 0.00 C ATOM 0 H ILE D 32 -6.130 6.385 6.314 1.00 0.00 H new ATOM 0 HA ILE D 32 -5.890 4.363 8.284 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.266 5.579 6.816 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.249 6.001 9.668 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.767 7.027 8.331 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.640 4.610 8.642 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.835 3.332 7.702 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.199 3.798 9.297 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.704 8.005 9.533 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.158 7.569 7.868 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.647 6.527 9.226 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.942 3.430 5.301 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.182 2.262 4.456 1.00 0.00 C ATOM 1724 C ILE D 33 -5.930 1.387 4.383 1.00 0.00 C ATOM 1725 O ILE D 33 -6.015 0.161 4.476 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.586 2.724 3.045 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.986 3.390 3.078 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.591 1.529 2.085 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -10.105 2.346 2.957 1.00 0.00 C ATOM 0 H ILE D 33 -7.025 4.326 4.821 1.00 0.00 H new ATOM 0 HA ILE D 33 -7.989 1.671 4.889 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.860 3.457 2.693 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.104 3.946 4.008 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.068 4.110 2.263 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.878 1.864 1.088 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.595 1.089 2.047 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.304 0.783 2.436 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -11.073 2.846 2.984 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -10.000 1.808 2.015 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -10.037 1.642 3.787 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.770 2.016 4.213 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.517 1.268 4.130 1.00 0.00 C ATOM 1743 C GLY D 34 -3.254 0.496 5.422 1.00 0.00 C ATOM 1744 O GLY D 34 -2.838 -0.665 5.391 1.00 0.00 O ATOM 0 H GLY D 34 -4.670 3.028 4.131 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.558 0.575 3.290 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.692 1.954 3.937 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.497 1.147 6.555 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.285 0.516 7.855 1.00 0.00 C ATOM 1750 C ILE D 35 -4.233 -0.670 8.032 1.00 0.00 C ATOM 1751 O ILE D 35 -3.834 -1.738 8.499 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.517 1.547 8.963 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.420 2.614 8.892 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.459 0.854 10.328 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.818 3.821 9.745 1.00 0.00 C ATOM 0 H ILE D 35 -3.839 2.107 6.601 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.261 0.148 7.912 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.495 2.011 8.832 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.475 2.202 9.246 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.266 2.922 7.858 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.624 1.588 11.116 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.231 0.087 10.380 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.480 0.393 10.461 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -2.035 4.578 9.692 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.753 4.239 9.371 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.950 3.507 10.780 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.490 -0.471 7.647 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.492 -1.525 7.759 1.00 0.00 C ATOM 1769 C LEU D 36 -6.100 -2.716 6.893 1.00 0.00 C ATOM 1770 O LEU D 36 -6.289 -3.867 7.283 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.865 -0.998 7.328 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.395 0.004 8.365 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.591 0.753 7.770 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -8.831 -0.721 9.658 1.00 0.00 C ATOM 0 H LEU D 36 -5.837 0.405 7.257 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.546 -1.845 8.800 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -7.789 -0.518 6.352 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -8.564 -1.827 7.221 1.00 0.00 H new ATOM 0 HG LEU D 36 -7.599 0.705 8.616 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.973 1.466 8.500 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -9.277 1.285 6.872 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -10.375 0.041 7.514 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -9.202 0.009 10.377 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -9.621 -1.436 9.426 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -7.978 -1.249 10.085 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.545 -2.431 5.719 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.124 -3.492 4.814 1.00 0.00 C ATOM 1788 C HIS D 37 -4.103 -4.388 5.502 1.00 0.00 C ATOM 1789 O HIS D 37 -4.151 -5.612 5.371 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.493 -2.895 3.556 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.119 -4.010 2.617 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.686 -4.149 1.362 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.249 -5.060 2.749 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.154 -5.247 0.796 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.271 -5.839 1.599 1.00 0.00 N ATOM 0 H HIS D 37 -5.378 -1.485 5.376 1.00 0.00 H new ATOM 0 HA HIS D 37 -6.001 -4.078 4.538 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.192 -2.214 3.071 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.610 -2.312 3.818 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.637 -5.253 3.618 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.411 -5.605 -0.190 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.728 -6.682 1.410 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.180 -3.773 6.232 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.147 -4.527 6.931 1.00 0.00 C ATOM 1805 C LEU D 38 -2.759 -5.478 7.951 1.00 0.00 C ATOM 1806 O LEU D 38 -2.292 -6.606 8.102 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.166 -3.558 7.629 1.00 0.00 C ATOM 1808 CG LEU D 38 0.004 -3.205 6.683 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.629 -1.872 7.095 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.080 -4.305 6.748 1.00 0.00 C ATOM 0 H LEU D 38 -3.126 -2.762 6.355 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.603 -5.121 6.197 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.690 -2.649 7.925 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.780 -4.014 8.541 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.382 -3.127 5.666 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.452 -1.633 6.422 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.124 -1.085 7.042 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.005 -1.946 8.116 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.902 -4.050 6.079 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.455 -4.387 7.768 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.646 -5.257 6.443 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.786 -5.029 8.655 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.417 -5.876 9.660 1.00 0.00 C ATOM 1824 C ILE D 39 -5.009 -7.128 9.012 1.00 0.00 C ATOM 1825 O ILE D 39 -4.856 -8.234 9.526 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.519 -5.093 10.374 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.883 -3.968 11.194 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.296 -6.027 11.308 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.969 -3.021 11.715 1.00 0.00 C ATOM 0 H ILE D 39 -4.196 -4.101 8.554 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.661 -6.183 10.383 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.203 -4.673 9.637 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.323 -4.388 12.030 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.172 -3.416 10.579 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.080 -5.465 11.815 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.745 -6.832 10.726 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.616 -6.449 12.048 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.508 -2.224 12.297 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.510 -2.589 10.873 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.663 -3.576 12.346 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.693 -6.946 7.892 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.304 -8.075 7.199 1.00 0.00 C ATOM 1843 C LEU D 40 -5.248 -8.926 6.491 1.00 0.00 C ATOM 1844 O LEU D 40 -5.295 -10.155 6.546 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.327 -7.561 6.186 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.479 -6.862 6.927 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -9.402 -6.195 5.903 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.282 -7.877 7.770 1.00 0.00 C ATOM 0 H LEU D 40 -5.839 -6.040 7.447 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.803 -8.703 7.937 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -6.851 -6.866 5.494 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -7.713 -8.389 5.591 1.00 0.00 H new ATOM 0 HG LEU D 40 -8.064 -6.111 7.599 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -10.221 -5.697 6.422 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.837 -5.461 5.328 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.805 -6.951 5.230 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -10.092 -7.361 8.286 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.698 -8.644 7.117 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.623 -8.343 8.503 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.305 -8.268 5.821 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.253 -8.980 5.097 1.00 0.00 C ATOM 1862 C TRP D 41 -2.328 -9.732 6.055 1.00 0.00 C ATOM 1863 O TRP D 41 -2.017 -10.904 5.833 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.449 -7.983 4.250 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.223 -8.637 3.692 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.173 -9.375 2.560 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.137 -8.582 4.203 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.127 -9.805 2.363 1.00 0.00 N ATOM 1869 CE2 TRP D 41 0.972 -9.336 3.347 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.721 -7.964 5.321 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.333 -9.468 3.594 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.096 -8.091 5.565 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.897 -8.841 4.703 1.00 0.00 C ATOM 0 H TRP D 41 -4.247 -7.251 5.764 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.721 -9.717 4.445 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.069 -7.605 3.437 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.165 -7.125 4.860 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -2.011 -9.593 1.915 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.424 -10.396 1.586 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.107 -7.387 5.997 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.951 -10.054 2.929 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.537 -7.606 6.424 1.00 0.00 H new ATOM 0 HH2 TRP D 41 3.955 -8.936 4.896 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.885 -9.058 7.109 1.00 0.00 N ATOM 1885 CA ILE D 42 -0.988 -9.691 8.069 1.00 0.00 C ATOM 1886 C ILE D 42 -1.706 -10.833 8.785 1.00 0.00 C ATOM 1887 O ILE D 42 -1.122 -11.888 9.034 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.486 -8.652 9.089 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.747 -9.197 9.822 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.582 -8.332 10.120 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.357 -8.084 10.674 1.00 0.00 C ATOM 0 H ILE D 42 -2.127 -8.090 7.319 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.130 -10.099 7.535 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.226 -7.741 8.551 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.467 -10.042 10.452 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.480 -9.564 9.103 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.208 -7.596 10.832 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.457 -7.930 9.608 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.859 -9.243 10.651 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.234 -8.465 11.197 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.650 -7.254 10.032 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.622 -7.738 11.401 1.00 0.00 H new ATOM 1903 N LEU D 43 -2.976 -10.612 9.107 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.769 -11.625 9.794 1.00 0.00 C ATOM 1905 C LEU D 43 -3.907 -12.877 8.932 1.00 0.00 C ATOM 1906 O LEU D 43 -3.831 -13.997 9.439 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.161 -11.067 10.124 1.00 0.00 C ATOM 1908 CG LEU D 43 -6.023 -12.140 10.811 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.321 -12.664 12.074 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.373 -11.521 11.194 1.00 0.00 C ATOM 0 H LEU D 43 -3.476 -9.746 8.905 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.258 -11.893 10.719 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.066 -10.197 10.774 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.650 -10.730 9.210 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.173 -12.974 10.125 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -5.944 -13.422 12.548 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.361 -13.102 11.801 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -5.160 -11.840 12.769 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -7.993 -12.273 11.682 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.210 -10.687 11.876 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.877 -11.163 10.296 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.120 -12.682 7.636 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.279 -13.810 6.725 1.00 0.00 C ATOM 1924 C ASP D 44 -3.031 -14.684 6.741 1.00 0.00 C ATOM 1925 O ASP D 44 -3.124 -15.912 6.786 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.532 -13.302 5.304 1.00 0.00 C ATOM 1927 CG ASP D 44 -5.931 -12.704 5.205 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -6.722 -12.944 6.104 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -6.194 -12.016 4.232 1.00 0.00 O ATOM 0 H ASP D 44 -4.186 -11.764 7.196 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.132 -14.404 7.053 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -3.787 -12.551 5.039 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -4.426 -14.121 4.592 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.865 -14.050 6.716 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.607 -14.787 6.738 1.00 0.00 C ATOM 1936 C ARG D 45 -0.392 -15.457 8.094 1.00 0.00 C ATOM 1937 O ARG D 45 0.406 -16.386 8.216 1.00 0.00 O ATOM 1938 CB ARG D 45 0.565 -13.846 6.443 1.00 0.00 C ATOM 1939 CG ARG D 45 0.559 -13.465 4.962 1.00 0.00 C ATOM 1940 CD ARG D 45 1.711 -12.500 4.682 1.00 0.00 C ATOM 1941 NE ARG D 45 1.749 -12.158 3.264 1.00 0.00 N ATOM 1942 CZ ARG D 45 2.395 -12.922 2.388 1.00 0.00 C ATOM 1943 NH1 ARG D 45 3.009 -14.002 2.792 1.00 0.00 N ATOM 1944 NH2 ARG D 45 2.416 -12.596 1.125 1.00 0.00 N ATOM 0 H ARG D 45 -1.764 -13.036 6.681 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.656 -15.558 5.969 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.489 -12.950 7.059 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.507 -14.331 6.700 1.00 0.00 H new ATOM 0 HG2 ARG D 45 0.660 -14.358 4.345 1.00 0.00 H new ATOM 0 HG3 ARG D 45 -0.391 -13.001 4.698 1.00 0.00 H new ATOM 0 HD2 ARG D 45 1.591 -11.596 5.278 1.00 0.00 H new ATOM 0 HD3 ARG D 45 2.656 -12.954 4.979 1.00 0.00 H new ATOM 0 HE ARG D 45 1.271 -11.318 2.939 1.00 0.00 H new ATOM 0 HH11 ARG D 45 2.993 -14.259 3.779 1.00 0.00 H new ATOM 0 HH12 ARG D 45 3.505 -14.588 2.120 1.00 0.00 H new ATOM 0 HH21 ARG D 45 1.936 -11.754 0.808 1.00 0.00 H new ATOM 0 HH22 ARG D 45 2.912 -13.183 0.455 1.00 0.00 H new