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= -1.46 K(o=-1.5,f=-3.6!) USER MOD Single : A 37 HIS : no HD1:sc= -9.52! C(o=-9.5!,f=-11!) USER MOD Single : B 31 ASN : amide:sc= -0.37 K(o=-0.37,f=-2) USER MOD Single : B 37 HIS : no HD1:sc= -9.55! C(o=-9.6!,f=-12!) USER MOD Single : C 31 ASN : amide:sc= -0.952 K(o=-0.95,f=-2.9!) USER MOD Single : C 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-12!) USER MOD Single : D 31 ASN : amide:sc= -0.935 K(o=-0.93,f=-2.9!) USER MOD Single : D 37 HIS : no HD1:sc= -9.52! C(o=-9.5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 107 N VAL A 27 -0.948 13.311 -5.378 1.00 0.00 N ATOM 108 CA VAL A 27 -1.417 12.764 -4.110 1.00 0.00 C ATOM 109 C VAL A 27 -2.729 12.010 -4.305 1.00 0.00 C ATOM 110 O VAL A 27 -2.915 10.915 -3.775 1.00 0.00 O ATOM 111 CB VAL A 27 -1.619 13.894 -3.095 1.00 0.00 C ATOM 112 CG1 VAL A 27 -2.248 13.337 -1.817 1.00 0.00 C ATOM 113 CG2 VAL A 27 -0.265 14.526 -2.759 1.00 0.00 C ATOM 0 HA VAL A 27 -0.665 12.070 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.280 14.647 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.389 14.145 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.213 12.888 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.591 12.581 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.408 15.330 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.394 13.769 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.184 14.929 -3.667 1.00 0.00 H new ATOM 123 N VAL A 28 -3.638 12.606 -5.070 1.00 0.00 N ATOM 124 CA VAL A 28 -4.931 11.987 -5.330 1.00 0.00 C ATOM 125 C VAL A 28 -4.752 10.672 -6.083 1.00 0.00 C ATOM 126 O VAL A 28 -5.395 9.671 -5.765 1.00 0.00 O ATOM 127 CB VAL A 28 -5.812 12.933 -6.148 1.00 0.00 C ATOM 128 CG1 VAL A 28 -7.127 12.233 -6.499 1.00 0.00 C ATOM 129 CG2 VAL A 28 -6.108 14.189 -5.327 1.00 0.00 C ATOM 0 H VAL A 28 -3.504 13.512 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.413 11.783 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.293 13.210 -7.065 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.754 12.908 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.918 11.337 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.647 11.955 -5.582 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.736 14.864 -5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.627 13.910 -4.410 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.172 14.689 -5.077 1.00 0.00 H new ATOM 139 N ALA A 29 -3.880 10.683 -7.085 1.00 0.00 N ATOM 140 CA ALA A 29 -3.632 9.486 -7.876 1.00 0.00 C ATOM 141 C ALA A 29 -3.141 8.348 -6.990 1.00 0.00 C ATOM 142 O ALA A 29 -3.535 7.197 -7.167 1.00 0.00 O ATOM 143 CB ALA A 29 -2.587 9.778 -8.957 1.00 0.00 C ATOM 0 H ALA A 29 -3.338 11.500 -7.366 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.569 9.188 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.408 8.877 -9.543 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.952 10.570 -9.611 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.656 10.095 -8.487 1.00 0.00 H new ATOM 149 N ALA A 30 -2.279 8.674 -6.035 1.00 0.00 N ATOM 150 CA ALA A 30 -1.745 7.662 -5.133 1.00 0.00 C ATOM 151 C ALA A 30 -2.858 7.045 -4.291 1.00 0.00 C ATOM 152 O ALA A 30 -2.878 5.836 -4.066 1.00 0.00 O ATOM 153 CB ALA A 30 -0.692 8.284 -4.217 1.00 0.00 C ATOM 0 H ALA A 30 -1.938 9.620 -5.866 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.286 6.876 -5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.298 7.521 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.119 8.692 -4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.146 9.083 -3.631 1.00 0.00 H new ATOM 159 N ASN A 31 -3.783 7.882 -3.827 1.00 0.00 N ATOM 160 CA ASN A 31 -4.891 7.396 -3.013 1.00 0.00 C ATOM 161 C ASN A 31 -5.782 6.457 -3.822 1.00 0.00 C ATOM 162 O ASN A 31 -6.214 5.415 -3.330 1.00 0.00 O ATOM 163 CB ASN A 31 -5.721 8.577 -2.504 1.00 0.00 C ATOM 164 CG ASN A 31 -6.869 8.070 -1.640 1.00 0.00 C ATOM 165 OD1 ASN A 31 -6.705 7.110 -0.887 1.00 0.00 O ATOM 166 ND2 ASN A 31 -8.031 8.661 -1.705 1.00 0.00 N ATOM 0 H ASN A 31 -3.787 8.887 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.480 6.847 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.091 9.253 -1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.113 9.147 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.806 8.328 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.164 9.456 -2.330 1.00 0.00 H new ATOM 173 N ILE A 32 -6.049 6.837 -5.067 1.00 0.00 N ATOM 174 CA ILE A 32 -6.885 6.025 -5.944 1.00 0.00 C ATOM 175 C ILE A 32 -6.208 4.688 -6.235 1.00 0.00 C ATOM 176 O ILE A 32 -6.854 3.640 -6.239 1.00 0.00 O ATOM 177 CB ILE A 32 -7.150 6.770 -7.258 1.00 0.00 C ATOM 178 CG1 ILE A 32 -8.024 7.995 -6.974 1.00 0.00 C ATOM 179 CG2 ILE A 32 -7.879 5.846 -8.239 1.00 0.00 C ATOM 180 CD1 ILE A 32 -8.067 8.890 -8.214 1.00 0.00 C ATOM 0 H ILE A 32 -5.701 7.697 -5.490 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.834 5.837 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.202 7.084 -7.694 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.032 7.681 -6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -7.625 8.551 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.065 6.379 -9.171 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.263 4.969 -8.439 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.828 5.531 -7.805 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.689 9.762 -8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.057 9.215 -8.463 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.486 8.332 -9.051 1.00 0.00 H new ATOM 192 N ILE A 33 -4.907 4.739 -6.493 1.00 0.00 N ATOM 193 CA ILE A 33 -4.149 3.533 -6.803 1.00 0.00 C ATOM 194 C ILE A 33 -4.172 2.567 -5.618 1.00 0.00 C ATOM 195 O ILE A 33 -4.360 1.363 -5.796 1.00 0.00 O ATOM 196 CB ILE A 33 -2.698 3.911 -7.139 1.00 0.00 C ATOM 197 CG1 ILE A 33 -2.649 4.695 -8.473 1.00 0.00 C ATOM 198 CG2 ILE A 33 -1.841 2.642 -7.244 1.00 0.00 C ATOM 199 CD1 ILE A 33 -2.605 3.742 -9.679 1.00 0.00 C ATOM 0 H ILE A 33 -4.357 5.598 -6.494 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.606 3.040 -7.661 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.302 4.544 -6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.523 5.342 -8.550 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.772 5.342 -8.485 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.813 2.916 -7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.863 2.108 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.237 2.000 -8.030 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.571 4.323 -10.601 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.717 3.113 -9.614 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.496 3.113 -9.679 1.00 0.00 H new ATOM 211 N GLY A 34 -3.978 3.095 -4.415 1.00 0.00 N ATOM 212 CA GLY A 34 -3.981 2.258 -3.221 1.00 0.00 C ATOM 213 C GLY A 34 -5.348 1.618 -3.001 1.00 0.00 C ATOM 214 O GLY A 34 -5.450 0.424 -2.716 1.00 0.00 O ATOM 0 H GLY A 34 -3.818 4.087 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.223 1.480 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.713 2.859 -2.352 1.00 0.00 H new ATOM 218 N ILE A 35 -6.396 2.421 -3.143 1.00 0.00 N ATOM 219 CA ILE A 35 -7.758 1.930 -2.966 1.00 0.00 C ATOM 220 C ILE A 35 -8.083 0.882 -4.030 1.00 0.00 C ATOM 221 O ILE A 35 -8.680 -0.156 -3.736 1.00 0.00 O ATOM 222 CB ILE A 35 -8.742 3.097 -3.045 1.00 0.00 C ATOM 223 CG1 ILE A 35 -8.532 4.012 -1.833 1.00 0.00 C ATOM 224 CG2 ILE A 35 -10.180 2.566 -3.036 1.00 0.00 C ATOM 225 CD1 ILE A 35 -9.258 5.339 -2.052 1.00 0.00 C ATOM 0 H ILE A 35 -6.330 3.411 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.845 1.462 -1.985 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.571 3.654 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.906 3.527 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.468 4.190 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.877 3.402 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -10.331 1.909 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.356 2.008 -2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.105 5.985 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.864 5.827 -2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.324 5.153 -2.182 1.00 0.00 H new ATOM 237 N LEU A 36 -7.682 1.164 -5.265 1.00 0.00 N ATOM 238 CA LEU A 36 -7.927 0.245 -6.366 1.00 0.00 C ATOM 239 C LEU A 36 -7.226 -1.083 -6.104 1.00 0.00 C ATOM 240 O LEU A 36 -7.759 -2.150 -6.413 1.00 0.00 O ATOM 241 CB LEU A 36 -7.424 0.852 -7.683 1.00 0.00 C ATOM 242 CG LEU A 36 -7.717 -0.094 -8.859 1.00 0.00 C ATOM 243 CD1 LEU A 36 -9.232 -0.333 -8.992 1.00 0.00 C ATOM 244 CD2 LEU A 36 -7.180 0.535 -10.149 1.00 0.00 C ATOM 0 H LEU A 36 -7.188 2.018 -5.526 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.000 0.070 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.906 1.814 -7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.352 1.039 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.229 -1.052 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.422 -1.005 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.612 -0.781 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.736 0.617 -9.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.383 -0.129 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.670 1.494 -10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.105 0.688 -10.059 1.00 0.00 H new ATOM 256 N HIS A 37 -6.028 -1.013 -5.532 1.00 0.00 N ATOM 257 CA HIS A 37 -5.269 -2.219 -5.231 1.00 0.00 C ATOM 258 C HIS A 37 -6.074 -3.121 -4.308 1.00 0.00 C ATOM 259 O HIS A 37 -6.103 -4.339 -4.481 1.00 0.00 O ATOM 260 CB HIS A 37 -3.944 -1.858 -4.554 1.00 0.00 C ATOM 261 CG HIS A 37 -3.158 -3.117 -4.302 1.00 0.00 C ATOM 262 ND1 HIS A 37 -1.923 -3.353 -4.882 1.00 0.00 N ATOM 263 CD2 HIS A 37 -3.432 -4.230 -3.551 1.00 0.00 C ATOM 264 CE1 HIS A 37 -1.508 -4.565 -4.472 1.00 0.00 C ATOM 265 NE2 HIS A 37 -2.392 -5.143 -3.660 1.00 0.00 N ATOM 0 H HIS A 37 -5.566 -0.142 -5.270 1.00 0.00 H new ATOM 0 HA HIS A 37 -5.064 -2.741 -6.165 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.372 -1.178 -5.186 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.132 -1.338 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.325 -4.375 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -0.571 -5.015 -4.766 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -2.320 -6.058 -3.215 1.00 0.00 H new ATOM 273 N LEU A 38 -6.727 -2.516 -3.324 1.00 0.00 N ATOM 274 CA LEU A 38 -7.531 -3.274 -2.372 1.00 0.00 C ATOM 275 C LEU A 38 -8.670 -4.004 -3.074 1.00 0.00 C ATOM 276 O LEU A 38 -8.989 -5.136 -2.719 1.00 0.00 O ATOM 277 CB LEU A 38 -8.093 -2.327 -1.292 1.00 0.00 C ATOM 278 CG LEU A 38 -7.105 -2.211 -0.112 1.00 0.00 C ATOM 279 CD1 LEU A 38 -7.341 -0.898 0.629 1.00 0.00 C ATOM 280 CD2 LEU A 38 -7.309 -3.384 0.862 1.00 0.00 C ATOM 0 H LEU A 38 -6.717 -1.509 -3.164 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.892 -4.021 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.274 -1.342 -1.722 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.053 -2.700 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.087 -2.236 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.642 -0.819 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.188 -0.062 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.362 -0.873 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.608 -3.294 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.329 -3.365 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.135 -4.325 0.340 1.00 0.00 H new ATOM 292 N ILE A 39 -9.290 -3.358 -4.051 1.00 0.00 N ATOM 293 CA ILE A 39 -10.400 -3.983 -4.756 1.00 0.00 C ATOM 294 C ILE A 39 -9.936 -5.255 -5.468 1.00 0.00 C ATOM 295 O ILE A 39 -10.610 -6.284 -5.419 1.00 0.00 O ATOM 296 CB ILE A 39 -10.993 -3.003 -5.775 1.00 0.00 C ATOM 297 CG1 ILE A 39 -11.645 -1.832 -5.030 1.00 0.00 C ATOM 298 CG2 ILE A 39 -12.054 -3.716 -6.620 1.00 0.00 C ATOM 299 CD1 ILE A 39 -12.027 -0.727 -6.020 1.00 0.00 C ATOM 0 H ILE A 39 -9.050 -2.419 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.166 -4.250 -4.028 1.00 0.00 H new ATOM 0 HB ILE A 39 -10.200 -2.633 -6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.532 -2.177 -4.498 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.957 -1.439 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.473 -3.017 -7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.597 -4.553 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.848 -4.086 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.489 0.100 -5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.133 -0.372 -6.532 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.731 -1.122 -6.752 1.00 0.00 H new ATOM 311 N LEU A 40 -8.789 -5.183 -6.138 1.00 0.00 N ATOM 312 CA LEU A 40 -8.267 -6.345 -6.850 1.00 0.00 C ATOM 313 C LEU A 40 -7.692 -7.384 -5.879 1.00 0.00 C ATOM 314 O LEU A 40 -7.958 -8.579 -6.007 1.00 0.00 O ATOM 315 CB LEU A 40 -7.188 -5.902 -7.848 1.00 0.00 C ATOM 316 CG LEU A 40 -6.685 -7.104 -8.669 1.00 0.00 C ATOM 317 CD1 LEU A 40 -7.843 -7.723 -9.476 1.00 0.00 C ATOM 318 CD2 LEU A 40 -5.588 -6.628 -9.627 1.00 0.00 C ATOM 0 H LEU A 40 -8.211 -4.345 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.091 -6.812 -7.389 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.593 -5.142 -8.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.355 -5.446 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.288 -7.861 -7.993 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.473 -8.571 -10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.623 -8.060 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.254 -6.976 -10.155 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.225 -7.472 -10.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.994 -5.869 -10.296 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.764 -6.203 -9.054 1.00 0.00 H new ATOM 330 N TRP A 41 -6.893 -6.920 -4.918 1.00 0.00 N ATOM 331 CA TRP A 41 -6.268 -7.814 -3.940 1.00 0.00 C ATOM 332 C TRP A 41 -7.313 -8.512 -3.071 1.00 0.00 C ATOM 333 O TRP A 41 -7.237 -9.723 -2.855 1.00 0.00 O ATOM 334 CB TRP A 41 -5.298 -7.010 -3.063 1.00 0.00 C ATOM 335 CG TRP A 41 -4.832 -7.832 -1.894 1.00 0.00 C ATOM 336 CD1 TRP A 41 -3.803 -8.708 -1.910 1.00 0.00 C ATOM 337 CD2 TRP A 41 -5.339 -7.827 -0.531 1.00 0.00 C ATOM 338 NE1 TRP A 41 -3.671 -9.267 -0.650 1.00 0.00 N ATOM 339 CE2 TRP A 41 -4.592 -8.751 0.233 1.00 0.00 C ATOM 340 CE3 TRP A 41 -6.375 -7.123 0.108 1.00 0.00 C ATOM 341 CZ2 TRP A 41 -4.863 -8.964 1.583 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -6.640 -7.335 1.469 1.00 0.00 C ATOM 343 CH2 TRP A 41 -5.886 -8.252 2.200 1.00 0.00 C ATOM 0 H TRP A 41 -6.663 -5.934 -4.795 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.721 -8.587 -4.480 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.440 -6.694 -3.657 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -5.789 -6.105 -2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.185 -8.935 -2.766 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.977 -9.974 -0.406 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.969 -6.416 -0.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.282 -9.678 2.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.433 -6.785 1.954 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.097 -8.410 3.247 1.00 0.00 H new ATOM 354 N ILE A 42 -8.277 -7.754 -2.562 1.00 0.00 N ATOM 355 CA ILE A 42 -9.307 -8.334 -1.710 1.00 0.00 C ATOM 356 C ILE A 42 -10.161 -9.315 -2.511 1.00 0.00 C ATOM 357 O ILE A 42 -10.569 -10.359 -2.003 1.00 0.00 O ATOM 358 CB ILE A 42 -10.187 -7.224 -1.104 1.00 0.00 C ATOM 359 CG1 ILE A 42 -10.979 -7.784 0.087 1.00 0.00 C ATOM 360 CG2 ILE A 42 -11.169 -6.687 -2.159 1.00 0.00 C ATOM 361 CD1 ILE A 42 -11.668 -6.633 0.823 1.00 0.00 C ATOM 0 H ILE A 42 -8.367 -6.751 -2.721 1.00 0.00 H new ATOM 0 HA ILE A 42 -8.825 -8.876 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 42 -9.543 -6.411 -0.768 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -11.720 -8.504 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.311 -8.316 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -11.785 -5.903 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -10.611 -6.279 -3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.809 -7.498 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.231 -7.027 1.669 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.917 -5.930 1.183 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.348 -6.121 0.142 1.00 0.00 H new ATOM 373 N LEU A 43 -10.425 -8.966 -3.767 1.00 0.00 N ATOM 374 CA LEU A 43 -11.228 -9.816 -4.638 1.00 0.00 C ATOM 375 C LEU A 43 -10.548 -11.168 -4.851 1.00 0.00 C ATOM 376 O LEU A 43 -11.200 -12.211 -4.820 1.00 0.00 O ATOM 377 CB LEU A 43 -11.437 -9.119 -5.989 1.00 0.00 C ATOM 378 CG LEU A 43 -12.233 -10.021 -6.948 1.00 0.00 C ATOM 379 CD1 LEU A 43 -13.576 -10.420 -6.317 1.00 0.00 C ATOM 380 CD2 LEU A 43 -12.484 -9.258 -8.251 1.00 0.00 C ATOM 0 H LEU A 43 -10.096 -8.104 -4.202 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.194 -9.987 -4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.968 -8.179 -5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.471 -8.873 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.661 -10.927 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.127 -11.058 -7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -13.395 -10.962 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.160 -9.524 -6.106 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.048 -9.888 -8.939 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.053 -8.353 -8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.530 -8.989 -8.705 1.00 0.00 H new ATOM 392 N ASP A 44 -9.236 -11.143 -5.066 1.00 0.00 N ATOM 393 CA ASP A 44 -8.490 -12.378 -5.285 1.00 0.00 C ATOM 394 C ASP A 44 -8.607 -13.290 -4.067 1.00 0.00 C ATOM 395 O ASP A 44 -8.817 -14.494 -4.197 1.00 0.00 O ATOM 396 CB ASP A 44 -7.016 -12.060 -5.544 1.00 0.00 C ATOM 397 CG ASP A 44 -6.236 -13.348 -5.787 1.00 0.00 C ATOM 398 OD1 ASP A 44 -6.818 -14.409 -5.630 1.00 0.00 O ATOM 399 OD2 ASP A 44 -5.069 -13.254 -6.127 1.00 0.00 O ATOM 0 H ASP A 44 -8.673 -10.293 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.909 -12.887 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.924 -11.402 -6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.596 -11.527 -4.691 1.00 0.00 H new ATOM 404 N ARG A 45 -8.468 -12.701 -2.883 1.00 0.00 N ATOM 405 CA ARG A 45 -8.560 -13.465 -1.645 1.00 0.00 C ATOM 406 C ARG A 45 -9.979 -13.992 -1.442 1.00 0.00 C ATOM 407 O ARG A 45 -10.185 -14.985 -0.744 1.00 0.00 O ATOM 408 CB ARG A 45 -8.176 -12.578 -0.453 1.00 0.00 C ATOM 409 CG ARG A 45 -6.745 -12.039 -0.613 1.00 0.00 C ATOM 410 CD ARG A 45 -5.719 -13.155 -0.380 1.00 0.00 C ATOM 411 NE ARG A 45 -4.380 -12.583 -0.251 1.00 0.00 N ATOM 412 CZ ARG A 45 -3.938 -12.118 0.914 1.00 0.00 C ATOM 413 NH1 ARG A 45 -4.709 -12.160 1.966 1.00 0.00 N ATOM 414 NH2 ARG A 45 -2.736 -11.619 1.005 1.00 0.00 N ATOM 0 H ARG A 45 -8.293 -11.704 -2.756 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.874 -14.309 -1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.876 -11.746 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.253 -13.150 0.472 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.617 -11.623 -1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.575 -11.228 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.974 -13.712 0.521 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -5.743 -13.862 -1.209 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.773 -12.540 -1.070 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.649 -12.549 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -4.371 -11.804 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.134 -11.585 0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.398 -11.263 1.899 1.00 0.00 H new ATOM 617 N VAL B 27 7.212 12.472 0.279 1.00 0.00 N ATOM 618 CA VAL B 27 5.877 12.152 -0.212 1.00 0.00 C ATOM 619 C VAL B 27 5.955 11.507 -1.592 1.00 0.00 C ATOM 620 O VAL B 27 5.273 10.517 -1.866 1.00 0.00 O ATOM 621 CB VAL B 27 5.030 13.427 -0.285 1.00 0.00 C ATOM 622 CG1 VAL B 27 3.682 13.114 -0.936 1.00 0.00 C ATOM 623 CG2 VAL B 27 4.798 13.966 1.128 1.00 0.00 C ATOM 0 HA VAL B 27 5.413 11.447 0.478 1.00 0.00 H new ATOM 0 HB VAL B 27 5.554 14.174 -0.881 1.00 0.00 H new ATOM 0 HG11 VAL B 27 3.082 14.023 -0.986 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.845 12.731 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.157 12.365 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.196 14.873 1.077 1.00 0.00 H new ATOM 0 HG22 VAL B 27 4.276 13.216 1.722 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.757 14.193 1.593 1.00 0.00 H new ATOM 633 N VAL B 28 6.787 12.074 -2.457 1.00 0.00 N ATOM 634 CA VAL B 28 6.947 11.550 -3.808 1.00 0.00 C ATOM 635 C VAL B 28 7.511 10.134 -3.767 1.00 0.00 C ATOM 636 O VAL B 28 7.051 9.250 -4.493 1.00 0.00 O ATOM 637 CB VAL B 28 7.882 12.453 -4.614 1.00 0.00 C ATOM 638 CG1 VAL B 28 8.121 11.840 -5.996 1.00 0.00 C ATOM 639 CG2 VAL B 28 7.241 13.833 -4.775 1.00 0.00 C ATOM 0 H VAL B 28 7.359 12.893 -2.249 1.00 0.00 H new ATOM 0 HA VAL B 28 5.968 11.526 -4.287 1.00 0.00 H new ATOM 0 HB VAL B 28 8.833 12.550 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL B 28 8.787 12.484 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL B 28 8.576 10.856 -5.884 1.00 0.00 H new ATOM 0 HG13 VAL B 28 7.170 11.743 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL B 28 7.906 14.478 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL B 28 6.290 13.734 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL B 28 7.070 14.272 -3.792 1.00 0.00 H new ATOM 649 N ALA B 29 8.510 9.924 -2.919 1.00 0.00 N ATOM 650 CA ALA B 29 9.131 8.610 -2.799 1.00 0.00 C ATOM 651 C ALA B 29 8.099 7.565 -2.394 1.00 0.00 C ATOM 652 O ALA B 29 8.111 6.442 -2.897 1.00 0.00 O ATOM 653 CB ALA B 29 10.250 8.651 -1.755 1.00 0.00 C ATOM 0 H ALA B 29 8.905 10.639 -2.309 1.00 0.00 H new ATOM 0 HA ALA B 29 9.548 8.339 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA B 29 10.707 7.665 -1.673 1.00 0.00 H new ATOM 0 HB2 ALA B 29 11.004 9.377 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA B 29 9.836 8.940 -0.789 1.00 0.00 H new ATOM 659 N ALA B 30 7.204 7.936 -1.487 1.00 0.00 N ATOM 660 CA ALA B 30 6.174 7.013 -1.029 1.00 0.00 C ATOM 661 C ALA B 30 5.247 6.625 -2.178 1.00 0.00 C ATOM 662 O ALA B 30 4.855 5.465 -2.304 1.00 0.00 O ATOM 663 CB ALA B 30 5.362 7.653 0.094 1.00 0.00 C ATOM 0 H ALA B 30 7.170 8.861 -1.058 1.00 0.00 H new ATOM 0 HA ALA B 30 6.661 6.112 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.594 6.956 0.430 1.00 0.00 H new ATOM 0 HB2 ALA B 30 6.022 7.896 0.927 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.889 8.564 -0.272 1.00 0.00 H new ATOM 669 N ASN B 31 4.897 7.600 -3.011 1.00 0.00 N ATOM 670 CA ASN B 31 4.015 7.338 -4.144 1.00 0.00 C ATOM 671 C ASN B 31 4.678 6.387 -5.133 1.00 0.00 C ATOM 672 O ASN B 31 4.043 5.467 -5.649 1.00 0.00 O ATOM 673 CB ASN B 31 3.667 8.649 -4.849 1.00 0.00 C ATOM 674 CG ASN B 31 2.730 8.375 -6.020 1.00 0.00 C ATOM 675 OD1 ASN B 31 1.853 7.517 -5.926 1.00 0.00 O ATOM 676 ND2 ASN B 31 2.864 9.055 -7.124 1.00 0.00 N ATOM 0 H ASN B 31 5.206 8.568 -2.925 1.00 0.00 H new ATOM 0 HA ASN B 31 3.103 6.874 -3.769 1.00 0.00 H new ATOM 0 HB2 ASN B 31 3.194 9.336 -4.147 1.00 0.00 H new ATOM 0 HB3 ASN B 31 4.576 9.133 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN B 31 2.241 8.876 -7.912 1.00 0.00 H new ATOM 0 HD22 ASN B 31 3.592 9.766 -7.200 1.00 0.00 H new ATOM 683 N ILE B 32 5.962 6.614 -5.391 1.00 0.00 N ATOM 684 CA ILE B 32 6.712 5.771 -6.315 1.00 0.00 C ATOM 685 C ILE B 32 6.818 4.350 -5.773 1.00 0.00 C ATOM 686 O ILE B 32 6.670 3.376 -6.512 1.00 0.00 O ATOM 687 CB ILE B 32 8.112 6.351 -6.538 1.00 0.00 C ATOM 688 CG1 ILE B 32 7.996 7.679 -7.289 1.00 0.00 C ATOM 689 CG2 ILE B 32 8.950 5.373 -7.369 1.00 0.00 C ATOM 690 CD1 ILE B 32 9.348 8.396 -7.275 1.00 0.00 C ATOM 0 H ILE B 32 6.503 7.372 -4.975 1.00 0.00 H new ATOM 0 HA ILE B 32 6.182 5.743 -7.267 1.00 0.00 H new ATOM 0 HB ILE B 32 8.594 6.513 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE B 32 7.678 7.501 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE B 32 7.235 8.306 -6.824 1.00 0.00 H new ATOM 0 HG21 ILE B 32 9.945 5.789 -7.526 1.00 0.00 H new ATOM 0 HG22 ILE B 32 9.033 4.424 -6.840 1.00 0.00 H new ATOM 0 HG23 ILE B 32 8.469 5.210 -8.333 1.00 0.00 H new ATOM 0 HD11 ILE B 32 9.264 9.342 -7.810 1.00 0.00 H new ATOM 0 HD12 ILE B 32 9.648 8.588 -6.245 1.00 0.00 H new ATOM 0 HD13 ILE B 32 10.097 7.770 -7.760 1.00 0.00 H new ATOM 702 N ILE B 33 7.090 4.242 -4.477 1.00 0.00 N ATOM 703 CA ILE B 33 7.234 2.937 -3.841 1.00 0.00 C ATOM 704 C ILE B 33 5.927 2.150 -3.928 1.00 0.00 C ATOM 705 O ILE B 33 5.934 0.958 -4.230 1.00 0.00 O ATOM 706 CB ILE B 33 7.631 3.128 -2.367 1.00 0.00 C ATOM 707 CG1 ILE B 33 9.062 3.712 -2.275 1.00 0.00 C ATOM 708 CG2 ILE B 33 7.563 1.782 -1.636 1.00 0.00 C ATOM 709 CD1 ILE B 33 10.123 2.602 -2.342 1.00 0.00 C ATOM 0 H ILE B 33 7.215 5.037 -3.850 1.00 0.00 H new ATOM 0 HA ILE B 33 8.010 2.375 -4.360 1.00 0.00 H new ATOM 0 HB ILE B 33 6.937 3.825 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE B 33 9.221 4.420 -3.088 1.00 0.00 H new ATOM 0 HG13 ILE B 33 9.171 4.267 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE B 33 7.845 1.920 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE B 33 6.547 1.390 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE B 33 8.249 1.077 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE B 33 11.117 3.044 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE B 33 9.977 1.909 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE B 33 10.028 2.064 -3.285 1.00 0.00 H new ATOM 721 N GLY B 34 4.810 2.821 -3.662 1.00 0.00 N ATOM 722 CA GLY B 34 3.510 2.160 -3.716 1.00 0.00 C ATOM 723 C GLY B 34 3.194 1.689 -5.133 1.00 0.00 C ATOM 724 O GLY B 34 2.742 0.562 -5.339 1.00 0.00 O ATOM 0 H GLY B 34 4.778 3.809 -3.410 1.00 0.00 H new ATOM 0 HA2 GLY B 34 3.503 1.308 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY B 34 2.735 2.846 -3.376 1.00 0.00 H new ATOM 728 N ILE B 35 3.438 2.560 -6.105 1.00 0.00 N ATOM 729 CA ILE B 35 3.183 2.228 -7.501 1.00 0.00 C ATOM 730 C ILE B 35 4.087 1.080 -7.945 1.00 0.00 C ATOM 731 O ILE B 35 3.648 0.153 -8.628 1.00 0.00 O ATOM 732 CB ILE B 35 3.417 3.463 -8.377 1.00 0.00 C ATOM 733 CG1 ILE B 35 2.343 4.511 -8.058 1.00 0.00 C ATOM 734 CG2 ILE B 35 3.323 3.074 -9.854 1.00 0.00 C ATOM 735 CD1 ILE B 35 2.734 5.856 -8.672 1.00 0.00 C ATOM 0 H ILE B 35 3.810 3.497 -5.953 1.00 0.00 H new ATOM 0 HA ILE B 35 2.146 1.910 -7.609 1.00 0.00 H new ATOM 0 HB ILE B 35 4.407 3.872 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE B 35 1.379 4.188 -8.450 1.00 0.00 H new ATOM 0 HG13 ILE B 35 2.230 4.613 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE B 35 3.490 3.955 -10.474 1.00 0.00 H new ATOM 0 HG22 ILE B 35 4.079 2.322 -10.081 1.00 0.00 H new ATOM 0 HG23 ILE B 35 2.333 2.667 -10.061 1.00 0.00 H new ATOM 0 HD11 ILE B 35 1.968 6.597 -8.443 1.00 0.00 H new ATOM 0 HD12 ILE B 35 3.689 6.181 -8.258 1.00 0.00 H new ATOM 0 HD13 ILE B 35 2.824 5.750 -9.753 1.00 0.00 H new ATOM 747 N LEU B 36 5.354 1.150 -7.544 1.00 0.00 N ATOM 748 CA LEU B 36 6.316 0.114 -7.895 1.00 0.00 C ATOM 749 C LEU B 36 5.876 -1.226 -7.315 1.00 0.00 C ATOM 750 O LEU B 36 6.027 -2.269 -7.951 1.00 0.00 O ATOM 751 CB LEU B 36 7.707 0.483 -7.366 1.00 0.00 C ATOM 752 CG LEU B 36 8.739 -0.585 -7.769 1.00 0.00 C ATOM 753 CD1 LEU B 36 8.826 -0.696 -9.302 1.00 0.00 C ATOM 754 CD2 LEU B 36 10.107 -0.193 -7.203 1.00 0.00 C ATOM 0 H LEU B 36 5.735 1.909 -6.979 1.00 0.00 H new ATOM 0 HA LEU B 36 6.363 0.032 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU B 36 8.007 1.454 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU B 36 7.677 0.576 -6.280 1.00 0.00 H new ATOM 0 HG LEU B 36 8.432 -1.551 -7.368 1.00 0.00 H new ATOM 0 HD11 LEU B 36 9.560 -1.456 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU B 36 7.852 -0.976 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU B 36 9.128 0.264 -9.720 1.00 0.00 H new ATOM 0 HD21 LEU B 36 10.846 -0.944 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU B 36 10.403 0.775 -7.606 1.00 0.00 H new ATOM 0 HD23 LEU B 36 10.047 -0.131 -6.116 1.00 0.00 H new ATOM 766 N HIS B 37 5.328 -1.191 -6.105 1.00 0.00 N ATOM 767 CA HIS B 37 4.868 -2.412 -5.454 1.00 0.00 C ATOM 768 C HIS B 37 3.821 -3.096 -6.320 1.00 0.00 C ATOM 769 O HIS B 37 3.824 -4.318 -6.469 1.00 0.00 O ATOM 770 CB HIS B 37 4.257 -2.087 -4.087 1.00 0.00 C ATOM 771 CG HIS B 37 3.838 -3.367 -3.415 1.00 0.00 C ATOM 772 ND1 HIS B 37 4.382 -3.791 -2.218 1.00 0.00 N ATOM 773 CD2 HIS B 37 2.939 -4.336 -3.776 1.00 0.00 C ATOM 774 CE1 HIS B 37 3.814 -4.969 -1.907 1.00 0.00 C ATOM 775 NE2 HIS B 37 2.926 -5.347 -2.826 1.00 0.00 N ATOM 0 H HIS B 37 5.192 -0.340 -5.560 1.00 0.00 H new ATOM 0 HA HIS B 37 5.722 -3.076 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS B 37 4.981 -1.558 -3.468 1.00 0.00 H new ATOM 0 HB3 HIS B 37 3.398 -1.427 -4.207 1.00 0.00 H new ATOM 0 HD2 HIS B 37 2.331 -4.316 -4.668 1.00 0.00 H new ATOM 0 HE1 HIS B 37 4.049 -5.539 -1.021 1.00 0.00 H new ATOM 0 HE2 HIS B 37 2.360 -6.195 -2.830 1.00 0.00 H new ATOM 783 N LEU B 38 2.926 -2.302 -6.892 1.00 0.00 N ATOM 784 CA LEU B 38 1.871 -2.841 -7.744 1.00 0.00 C ATOM 785 C LEU B 38 2.455 -3.550 -8.960 1.00 0.00 C ATOM 786 O LEU B 38 1.945 -4.586 -9.375 1.00 0.00 O ATOM 787 CB LEU B 38 0.929 -1.705 -8.192 1.00 0.00 C ATOM 788 CG LEU B 38 -0.215 -1.526 -7.170 1.00 0.00 C ATOM 789 CD1 LEU B 38 -0.779 -0.109 -7.267 1.00 0.00 C ATOM 790 CD2 LEU B 38 -1.341 -2.533 -7.462 1.00 0.00 C ATOM 0 H LEU B 38 2.908 -1.288 -6.783 1.00 0.00 H new ATOM 0 HA LEU B 38 1.305 -3.573 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU B 38 1.489 -0.775 -8.288 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.516 -1.932 -9.175 1.00 0.00 H new ATOM 0 HG LEU B 38 0.179 -1.698 -6.168 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -1.586 0.012 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.010 0.612 -7.054 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -1.164 0.061 -8.272 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.144 -2.401 -6.737 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.728 -2.365 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -0.950 -3.548 -7.389 1.00 0.00 H new ATOM 802 N ILE B 39 3.510 -2.989 -9.536 1.00 0.00 N ATOM 803 CA ILE B 39 4.111 -3.600 -10.715 1.00 0.00 C ATOM 804 C ILE B 39 4.645 -4.996 -10.384 1.00 0.00 C ATOM 805 O ILE B 39 4.446 -5.939 -11.149 1.00 0.00 O ATOM 806 CB ILE B 39 5.255 -2.719 -11.236 1.00 0.00 C ATOM 807 CG1 ILE B 39 4.674 -1.400 -11.762 1.00 0.00 C ATOM 808 CG2 ILE B 39 5.983 -3.439 -12.375 1.00 0.00 C ATOM 809 CD1 ILE B 39 5.806 -0.411 -12.060 1.00 0.00 C ATOM 0 H ILE B 39 3.960 -2.131 -9.216 1.00 0.00 H new ATOM 0 HA ILE B 39 3.345 -3.691 -11.485 1.00 0.00 H new ATOM 0 HB ILE B 39 5.957 -2.519 -10.427 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.093 -1.584 -12.666 1.00 0.00 H new ATOM 0 HG13 ILE B 39 3.992 -0.974 -11.026 1.00 0.00 H new ATOM 0 HG21 ILE B 39 6.794 -2.811 -12.743 1.00 0.00 H new ATOM 0 HG22 ILE B 39 6.391 -4.381 -12.008 1.00 0.00 H new ATOM 0 HG23 ILE B 39 5.283 -3.638 -13.186 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.385 0.523 -12.433 1.00 0.00 H new ATOM 0 HD12 ILE B 39 6.369 -0.216 -11.147 1.00 0.00 H new ATOM 0 HD13 ILE B 39 6.471 -0.835 -12.812 1.00 0.00 H new ATOM 821 N LEU B 40 5.327 -5.125 -9.250 1.00 0.00 N ATOM 822 CA LEU B 40 5.875 -6.420 -8.852 1.00 0.00 C ATOM 823 C LEU B 40 4.772 -7.364 -8.358 1.00 0.00 C ATOM 824 O LEU B 40 4.730 -8.534 -8.736 1.00 0.00 O ATOM 825 CB LEU B 40 6.933 -6.223 -7.759 1.00 0.00 C ATOM 826 CG LEU B 40 7.582 -7.568 -7.386 1.00 0.00 C ATOM 827 CD1 LEU B 40 8.286 -8.181 -8.612 1.00 0.00 C ATOM 828 CD2 LEU B 40 8.606 -7.334 -6.268 1.00 0.00 C ATOM 0 H LEU B 40 5.512 -4.362 -8.598 1.00 0.00 H new ATOM 0 HA LEU B 40 6.339 -6.877 -9.726 1.00 0.00 H new ATOM 0 HB2 LEU B 40 7.697 -5.528 -8.106 1.00 0.00 H new ATOM 0 HB3 LEU B 40 6.474 -5.777 -6.877 1.00 0.00 H new ATOM 0 HG LEU B 40 6.810 -8.258 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU B 40 8.740 -9.132 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.557 -8.346 -9.405 1.00 0.00 H new ATOM 0 HD13 LEU B 40 9.059 -7.499 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU B 40 9.071 -8.282 -5.997 1.00 0.00 H new ATOM 0 HD22 LEU B 40 9.371 -6.640 -6.615 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.104 -6.914 -5.397 1.00 0.00 H new ATOM 840 N TRP B 41 3.894 -6.851 -7.497 1.00 0.00 N ATOM 841 CA TRP B 41 2.806 -7.657 -6.939 1.00 0.00 C ATOM 842 C TRP B 41 1.839 -8.128 -8.024 1.00 0.00 C ATOM 843 O TRP B 41 1.460 -9.298 -8.056 1.00 0.00 O ATOM 844 CB TRP B 41 2.058 -6.837 -5.878 1.00 0.00 C ATOM 845 CG TRP B 41 0.790 -7.531 -5.469 1.00 0.00 C ATOM 846 CD1 TRP B 41 0.694 -8.497 -4.527 1.00 0.00 C ATOM 847 CD2 TRP B 41 -0.562 -7.292 -5.947 1.00 0.00 C ATOM 848 NE1 TRP B 41 -0.629 -8.889 -4.423 1.00 0.00 N ATOM 849 CE2 TRP B 41 -1.441 -8.169 -5.274 1.00 0.00 C ATOM 850 CE3 TRP B 41 -1.107 -6.410 -6.895 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -2.809 -8.171 -5.535 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -2.485 -6.406 -7.154 1.00 0.00 C ATOM 853 CH2 TRP B 41 -3.331 -7.285 -6.475 1.00 0.00 C ATOM 0 H TRP B 41 3.913 -5.885 -7.171 1.00 0.00 H new ATOM 0 HA TRP B 41 3.238 -8.546 -6.480 1.00 0.00 H new ATOM 0 HB2 TRP B 41 2.696 -6.691 -5.007 1.00 0.00 H new ATOM 0 HB3 TRP B 41 1.826 -5.848 -6.272 1.00 0.00 H new ATOM 0 HD1 TRP B 41 1.515 -8.897 -3.951 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -0.962 -9.620 -3.795 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -0.460 -5.730 -7.428 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -3.461 -8.855 -5.012 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -2.894 -5.720 -7.882 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -4.392 -7.278 -6.679 1.00 0.00 H new ATOM 864 N ILE B 42 1.433 -7.217 -8.902 1.00 0.00 N ATOM 865 CA ILE B 42 0.500 -7.574 -9.964 1.00 0.00 C ATOM 866 C ILE B 42 1.151 -8.571 -10.921 1.00 0.00 C ATOM 867 O ILE B 42 0.499 -9.492 -11.413 1.00 0.00 O ATOM 868 CB ILE B 42 0.049 -6.313 -10.725 1.00 0.00 C ATOM 869 CG1 ILE B 42 -1.216 -6.625 -11.541 1.00 0.00 C ATOM 870 CG2 ILE B 42 1.160 -5.835 -11.675 1.00 0.00 C ATOM 871 CD1 ILE B 42 -1.789 -5.324 -12.106 1.00 0.00 C ATOM 0 H ILE B 42 1.730 -6.241 -8.901 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.379 -8.041 -9.519 1.00 0.00 H new ATOM 0 HB ILE B 42 -0.164 -5.527 -10.001 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -0.978 -7.313 -12.352 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -1.956 -7.118 -10.911 1.00 0.00 H new ATOM 0 HG21 ILE B 42 0.826 -4.943 -12.206 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.055 -5.601 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.387 -6.622 -12.395 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -2.686 -5.543 -12.685 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -2.041 -4.651 -11.286 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -1.048 -4.850 -12.750 1.00 0.00 H new ATOM 883 N LEU B 43 2.441 -8.376 -11.178 1.00 0.00 N ATOM 884 CA LEU B 43 3.178 -9.257 -12.076 1.00 0.00 C ATOM 885 C LEU B 43 3.205 -10.683 -11.527 1.00 0.00 C ATOM 886 O LEU B 43 3.026 -11.646 -12.273 1.00 0.00 O ATOM 887 CB LEU B 43 4.611 -8.737 -12.247 1.00 0.00 C ATOM 888 CG LEU B 43 5.429 -9.683 -13.141 1.00 0.00 C ATOM 889 CD1 LEU B 43 4.739 -9.863 -14.502 1.00 0.00 C ATOM 890 CD2 LEU B 43 6.826 -9.087 -13.349 1.00 0.00 C ATOM 0 H LEU B 43 2.995 -7.619 -10.779 1.00 0.00 H new ATOM 0 HA LEU B 43 2.678 -9.268 -13.044 1.00 0.00 H new ATOM 0 HB2 LEU B 43 4.591 -7.740 -12.686 1.00 0.00 H new ATOM 0 HB3 LEU B 43 5.089 -8.646 -11.272 1.00 0.00 H new ATOM 0 HG LEU B 43 5.506 -10.657 -12.658 1.00 0.00 H new ATOM 0 HD11 LEU B 43 5.330 -10.535 -15.124 1.00 0.00 H new ATOM 0 HD12 LEU B 43 3.746 -10.286 -14.353 1.00 0.00 H new ATOM 0 HD13 LEU B 43 4.651 -8.895 -14.996 1.00 0.00 H new ATOM 0 HD21 LEU B 43 7.414 -9.751 -13.982 1.00 0.00 H new ATOM 0 HD22 LEU B 43 6.738 -8.112 -13.829 1.00 0.00 H new ATOM 0 HD23 LEU B 43 7.320 -8.973 -12.384 1.00 0.00 H new ATOM 902 N ASP B 44 3.433 -10.814 -10.224 1.00 0.00 N ATOM 903 CA ASP B 44 3.483 -12.131 -9.600 1.00 0.00 C ATOM 904 C ASP B 44 2.149 -12.849 -9.774 1.00 0.00 C ATOM 905 O ASP B 44 2.109 -14.037 -10.098 1.00 0.00 O ATOM 906 CB ASP B 44 3.797 -11.991 -8.108 1.00 0.00 C ATOM 907 CG ASP B 44 3.863 -13.368 -7.455 1.00 0.00 C ATOM 908 OD1 ASP B 44 3.554 -14.338 -8.129 1.00 0.00 O ATOM 909 OD2 ASP B 44 4.221 -13.434 -6.290 1.00 0.00 O ATOM 0 H ASP B 44 3.585 -10.033 -9.586 1.00 0.00 H new ATOM 0 HA ASP B 44 4.267 -12.715 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP B 44 4.746 -11.471 -7.975 1.00 0.00 H new ATOM 0 HB3 ASP B 44 3.031 -11.386 -7.622 1.00 0.00 H new ATOM 914 N ARG B 45 1.061 -12.121 -9.558 1.00 0.00 N ATOM 915 CA ARG B 45 -0.274 -12.693 -9.695 1.00 0.00 C ATOM 916 C ARG B 45 -0.557 -13.053 -11.152 1.00 0.00 C ATOM 917 O ARG B 45 -1.389 -13.916 -11.435 1.00 0.00 O ATOM 918 CB ARG B 45 -1.327 -11.690 -9.208 1.00 0.00 C ATOM 919 CG ARG B 45 -1.083 -11.318 -7.735 1.00 0.00 C ATOM 920 CD ARG B 45 -1.458 -12.485 -6.813 1.00 0.00 C ATOM 921 NE ARG B 45 -1.495 -12.031 -5.426 1.00 0.00 N ATOM 922 CZ ARG B 45 -2.580 -11.459 -4.917 1.00 0.00 C ATOM 923 NH1 ARG B 45 -3.635 -11.278 -5.664 1.00 0.00 N ATOM 924 NH2 ARG B 45 -2.592 -11.078 -3.669 1.00 0.00 N ATOM 0 H ARG B 45 1.075 -11.137 -9.288 1.00 0.00 H new ATOM 0 HA ARG B 45 -0.322 -13.598 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -1.294 -10.792 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -2.323 -12.118 -9.320 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.035 -11.055 -7.590 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.671 -10.438 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.430 -12.888 -7.099 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.734 -13.292 -6.921 1.00 0.00 H new ATOM 0 HE ARG B 45 -0.672 -12.156 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.626 -11.576 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.468 -10.839 -5.272 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -1.768 -11.220 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -3.425 -10.639 -3.278 1.00 0.00 H new ATOM 1127 N VAL C 27 1.359 11.743 8.233 1.00 0.00 N ATOM 1128 CA VAL C 27 1.809 11.476 6.871 1.00 0.00 C ATOM 1129 C VAL C 27 3.088 10.643 6.887 1.00 0.00 C ATOM 1130 O VAL C 27 3.230 9.688 6.124 1.00 0.00 O ATOM 1131 CB VAL C 27 2.059 12.794 6.135 1.00 0.00 C ATOM 1132 CG1 VAL C 27 2.668 12.513 4.760 1.00 0.00 C ATOM 1133 CG2 VAL C 27 0.735 13.538 5.960 1.00 0.00 C ATOM 0 HA VAL C 27 1.031 10.916 6.351 1.00 0.00 H new ATOM 0 HB VAL C 27 2.749 13.405 6.717 1.00 0.00 H new ATOM 0 HG11 VAL C 27 2.844 13.455 4.241 1.00 0.00 H new ATOM 0 HG12 VAL C 27 3.613 11.984 4.882 1.00 0.00 H new ATOM 0 HG13 VAL C 27 1.981 11.900 4.176 1.00 0.00 H new ATOM 0 HG21 VAL C 27 0.912 14.477 5.436 1.00 0.00 H new ATOM 0 HG22 VAL C 27 0.046 12.923 5.381 1.00 0.00 H new ATOM 0 HG23 VAL C 27 0.302 13.745 6.939 1.00 0.00 H new ATOM 1143 N VAL C 28 4.018 11.016 7.760 1.00 0.00 N ATOM 1144 CA VAL C 28 5.283 10.300 7.868 1.00 0.00 C ATOM 1145 C VAL C 28 5.047 8.859 8.309 1.00 0.00 C ATOM 1146 O VAL C 28 5.648 7.930 7.774 1.00 0.00 O ATOM 1147 CB VAL C 28 6.199 11.004 8.872 1.00 0.00 C ATOM 1148 CG1 VAL C 28 7.482 10.189 9.053 1.00 0.00 C ATOM 1149 CG2 VAL C 28 6.549 12.399 8.351 1.00 0.00 C ATOM 0 H VAL C 28 3.920 11.805 8.399 1.00 0.00 H new ATOM 0 HA VAL C 28 5.760 10.293 6.888 1.00 0.00 H new ATOM 0 HB VAL C 28 5.688 11.092 9.831 1.00 0.00 H new ATOM 0 HG11 VAL C 28 8.134 10.691 9.768 1.00 0.00 H new ATOM 0 HG12 VAL C 28 7.232 9.195 9.425 1.00 0.00 H new ATOM 0 HG13 VAL C 28 7.995 10.100 8.095 1.00 0.00 H new ATOM 0 HG21 VAL C 28 7.201 12.901 9.065 1.00 0.00 H new ATOM 0 HG22 VAL C 28 7.060 12.312 7.392 1.00 0.00 H new ATOM 0 HG23 VAL C 28 5.635 12.980 8.224 1.00 0.00 H new ATOM 1159 N ALA C 29 4.172 8.684 9.294 1.00 0.00 N ATOM 1160 CA ALA C 29 3.871 7.350 9.800 1.00 0.00 C ATOM 1161 C ALA C 29 3.334 6.462 8.684 1.00 0.00 C ATOM 1162 O ALA C 29 3.679 5.284 8.600 1.00 0.00 O ATOM 1163 CB ALA C 29 2.835 7.437 10.925 1.00 0.00 C ATOM 0 H ALA C 29 3.664 9.440 9.753 1.00 0.00 H new ATOM 0 HA ALA C 29 4.792 6.914 10.186 1.00 0.00 H new ATOM 0 HB1 ALA C 29 2.616 6.436 11.297 1.00 0.00 H new ATOM 0 HB2 ALA C 29 3.230 8.047 11.737 1.00 0.00 H new ATOM 0 HB3 ALA C 29 1.920 7.890 10.543 1.00 0.00 H new ATOM 1169 N ALA C 30 2.492 7.028 7.830 1.00 0.00 N ATOM 1170 CA ALA C 30 1.921 6.264 6.727 1.00 0.00 C ATOM 1171 C ALA C 30 3.011 5.807 5.763 1.00 0.00 C ATOM 1172 O ALA C 30 2.980 4.677 5.273 1.00 0.00 O ATOM 1173 CB ALA C 30 0.898 7.119 5.977 1.00 0.00 C ATOM 0 H ALA C 30 2.191 8.002 7.877 1.00 0.00 H new ATOM 0 HA ALA C 30 1.429 5.383 7.139 1.00 0.00 H new ATOM 0 HB1 ALA C 30 0.475 6.542 5.154 1.00 0.00 H new ATOM 0 HB2 ALA C 30 0.101 7.415 6.659 1.00 0.00 H new ATOM 0 HB3 ALA C 30 1.387 8.009 5.582 1.00 0.00 H new ATOM 1179 N ASN C 31 3.972 6.685 5.495 1.00 0.00 N ATOM 1180 CA ASN C 31 5.064 6.349 4.586 1.00 0.00 C ATOM 1181 C ASN C 31 5.910 5.218 5.161 1.00 0.00 C ATOM 1182 O ASN C 31 6.299 4.294 4.447 1.00 0.00 O ATOM 1183 CB ASN C 31 5.944 7.578 4.350 1.00 0.00 C ATOM 1184 CG ASN C 31 7.075 7.231 3.388 1.00 0.00 C ATOM 1185 OD1 ASN C 31 6.874 6.468 2.443 1.00 0.00 O ATOM 1186 ND2 ASN C 31 8.259 7.745 3.575 1.00 0.00 N ATOM 0 H ASN C 31 4.018 7.625 5.889 1.00 0.00 H new ATOM 0 HA ASN C 31 4.636 6.022 3.638 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.345 8.392 3.942 1.00 0.00 H new ATOM 0 HB3 ASN C 31 6.355 7.929 5.297 1.00 0.00 H new ATOM 0 HD21 ASN C 31 9.021 7.515 2.937 1.00 0.00 H new ATOM 0 HD22 ASN C 31 8.423 8.377 4.359 1.00 0.00 H new ATOM 1193 N ILE C 32 6.187 5.298 6.458 1.00 0.00 N ATOM 1194 CA ILE C 32 6.985 4.276 7.126 1.00 0.00 C ATOM 1195 C ILE C 32 6.252 2.939 7.115 1.00 0.00 C ATOM 1196 O ILE C 32 6.854 1.890 6.883 1.00 0.00 O ATOM 1197 CB ILE C 32 7.273 4.698 8.571 1.00 0.00 C ATOM 1198 CG1 ILE C 32 8.199 5.918 8.564 1.00 0.00 C ATOM 1199 CG2 ILE C 32 7.960 3.550 9.318 1.00 0.00 C ATOM 1200 CD1 ILE C 32 8.274 6.512 9.974 1.00 0.00 C ATOM 0 H ILE C 32 5.873 6.055 7.065 1.00 0.00 H new ATOM 0 HA ILE C 32 7.928 4.165 6.590 1.00 0.00 H new ATOM 0 HB ILE C 32 6.336 4.945 9.069 1.00 0.00 H new ATOM 0 HG12 ILE C 32 9.194 5.630 8.226 1.00 0.00 H new ATOM 0 HG13 ILE C 32 7.828 6.665 7.863 1.00 0.00 H new ATOM 0 HG21 ILE C 32 8.163 3.854 10.345 1.00 0.00 H new ATOM 0 HG22 ILE C 32 7.309 2.676 9.320 1.00 0.00 H new ATOM 0 HG23 ILE C 32 8.898 3.302 8.821 1.00 0.00 H new ATOM 0 HD11 ILE C 32 8.933 7.380 9.969 1.00 0.00 H new ATOM 0 HD12 ILE C 32 7.277 6.815 10.295 1.00 0.00 H new ATOM 0 HD13 ILE C 32 8.665 5.764 10.664 1.00 0.00 H new ATOM 1212 N ILE C 33 4.952 2.985 7.385 1.00 0.00 N ATOM 1213 CA ILE C 33 4.145 1.773 7.421 1.00 0.00 C ATOM 1214 C ILE C 33 4.132 1.094 6.051 1.00 0.00 C ATOM 1215 O ILE C 33 4.270 -0.125 5.956 1.00 0.00 O ATOM 1216 CB ILE C 33 2.710 2.127 7.841 1.00 0.00 C ATOM 1217 CG1 ILE C 33 2.687 2.594 9.318 1.00 0.00 C ATOM 1218 CG2 ILE C 33 1.803 0.905 7.663 1.00 0.00 C ATOM 1219 CD1 ILE C 33 2.596 1.397 10.279 1.00 0.00 C ATOM 0 H ILE C 33 4.438 3.844 7.581 1.00 0.00 H new ATOM 0 HA ILE C 33 4.579 1.082 8.144 1.00 0.00 H new ATOM 0 HB ILE C 33 2.345 2.938 7.211 1.00 0.00 H new ATOM 0 HG12 ILE C 33 3.587 3.169 9.534 1.00 0.00 H new ATOM 0 HG13 ILE C 33 1.838 3.258 9.479 1.00 0.00 H new ATOM 0 HG21 ILE C 33 0.786 1.160 7.962 1.00 0.00 H new ATOM 0 HG22 ILE C 33 1.808 0.598 6.617 1.00 0.00 H new ATOM 0 HG23 ILE C 33 2.169 0.087 8.283 1.00 0.00 H new ATOM 0 HD11 ILE C 33 2.582 1.757 11.308 1.00 0.00 H new ATOM 0 HD12 ILE C 33 1.683 0.837 10.078 1.00 0.00 H new ATOM 0 HD13 ILE C 33 3.459 0.747 10.134 1.00 0.00 H new ATOM 1231 N GLY C 34 3.965 1.886 4.998 1.00 0.00 N ATOM 1232 CA GLY C 34 3.937 1.337 3.645 1.00 0.00 C ATOM 1233 C GLY C 34 5.277 0.706 3.283 1.00 0.00 C ATOM 1234 O GLY C 34 5.333 -0.398 2.736 1.00 0.00 O ATOM 0 H GLY C 34 3.848 2.898 5.051 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.147 0.590 3.568 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.699 2.127 2.933 1.00 0.00 H new ATOM 1238 N ILE C 35 6.358 1.413 3.594 1.00 0.00 N ATOM 1239 CA ILE C 35 7.698 0.918 3.305 1.00 0.00 C ATOM 1240 C ILE C 35 7.975 -0.353 4.107 1.00 0.00 C ATOM 1241 O ILE C 35 8.530 -1.323 3.587 1.00 0.00 O ATOM 1242 CB ILE C 35 8.731 1.998 3.638 1.00 0.00 C ATOM 1243 CG1 ILE C 35 8.564 3.165 2.660 1.00 0.00 C ATOM 1244 CG2 ILE C 35 10.143 1.421 3.503 1.00 0.00 C ATOM 1245 CD1 ILE C 35 9.346 4.380 3.162 1.00 0.00 C ATOM 0 H ILE C 35 6.333 2.328 4.045 1.00 0.00 H new ATOM 0 HA ILE C 35 7.770 0.677 2.244 1.00 0.00 H new ATOM 0 HB ILE C 35 8.581 2.345 4.660 1.00 0.00 H new ATOM 0 HG12 ILE C 35 8.920 2.876 1.671 1.00 0.00 H new ATOM 0 HG13 ILE C 35 7.509 3.417 2.558 1.00 0.00 H new ATOM 0 HG21 ILE C 35 10.876 2.192 3.741 1.00 0.00 H new ATOM 0 HG22 ILE C 35 10.261 0.584 4.191 1.00 0.00 H new ATOM 0 HG23 ILE C 35 10.299 1.075 2.481 1.00 0.00 H new ATOM 0 HD11 ILE C 35 9.223 5.206 2.462 1.00 0.00 H new ATOM 0 HD12 ILE C 35 8.970 4.675 4.142 1.00 0.00 H new ATOM 0 HD13 ILE C 35 10.403 4.125 3.241 1.00 0.00 H new ATOM 1257 N LEU C 36 7.579 -0.339 5.376 1.00 0.00 N ATOM 1258 CA LEU C 36 7.782 -1.490 6.244 1.00 0.00 C ATOM 1259 C LEU C 36 7.026 -2.696 5.695 1.00 0.00 C ATOM 1260 O LEU C 36 7.514 -3.826 5.755 1.00 0.00 O ATOM 1261 CB LEU C 36 7.299 -1.173 7.664 1.00 0.00 C ATOM 1262 CG LEU C 36 7.548 -2.369 8.599 1.00 0.00 C ATOM 1263 CD1 LEU C 36 9.051 -2.694 8.667 1.00 0.00 C ATOM 1264 CD2 LEU C 36 7.031 -2.020 10.000 1.00 0.00 C ATOM 0 H LEU C 36 7.118 0.453 5.823 1.00 0.00 H new ATOM 0 HA LEU C 36 8.847 -1.722 6.277 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.819 -0.293 8.043 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.236 -0.932 7.647 1.00 0.00 H new ATOM 0 HG LEU C 36 7.022 -3.243 8.214 1.00 0.00 H new ATOM 0 HD11 LEU C 36 9.210 -3.542 9.333 1.00 0.00 H new ATOM 0 HD12 LEU C 36 9.415 -2.942 7.670 1.00 0.00 H new ATOM 0 HD13 LEU C 36 9.594 -1.828 9.047 1.00 0.00 H new ATOM 0 HD21 LEU C 36 7.203 -2.861 10.671 1.00 0.00 H new ATOM 0 HD22 LEU C 36 7.559 -1.143 10.375 1.00 0.00 H new ATOM 0 HD23 LEU C 36 5.963 -1.807 9.951 1.00 0.00 H new ATOM 1276 N HIS C 37 5.835 -2.449 5.156 1.00 0.00 N ATOM 1277 CA HIS C 37 5.029 -3.526 4.598 1.00 0.00 C ATOM 1278 C HIS C 37 5.800 -4.232 3.493 1.00 0.00 C ATOM 1279 O HIS C 37 5.780 -5.459 3.393 1.00 0.00 O ATOM 1280 CB HIS C 37 3.725 -2.967 4.023 1.00 0.00 C ATOM 1281 CG HIS C 37 2.887 -4.105 3.502 1.00 0.00 C ATOM 1282 ND1 HIS C 37 1.639 -4.409 4.018 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.118 -5.035 2.522 1.00 0.00 C ATOM 1284 CE1 HIS C 37 1.175 -5.482 3.354 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.038 -5.904 2.431 1.00 0.00 N ATOM 0 H HIS C 37 5.412 -1.523 5.095 1.00 0.00 H new ATOM 0 HA HIS C 37 4.798 -4.235 5.393 1.00 0.00 H new ATOM 0 HB2 HIS C 37 3.179 -2.420 4.792 1.00 0.00 H new ATOM 0 HB3 HIS C 37 3.940 -2.261 3.221 1.00 0.00 H new ATOM 0 HD2 HIS C 37 4.007 -5.085 1.911 1.00 0.00 H new ATOM 0 HE1 HIS C 37 0.219 -5.946 3.546 1.00 0.00 H new ATOM 0 HE2 HIS C 37 1.929 -6.694 1.795 1.00 0.00 H new ATOM 1293 N LEU C 38 6.481 -3.450 2.666 1.00 0.00 N ATOM 1294 CA LEU C 38 7.258 -4.008 1.565 1.00 0.00 C ATOM 1295 C LEU C 38 8.362 -4.924 2.080 1.00 0.00 C ATOM 1296 O LEU C 38 8.638 -5.960 1.481 1.00 0.00 O ATOM 1297 CB LEU C 38 7.865 -2.869 0.721 1.00 0.00 C ATOM 1298 CG LEU C 38 6.885 -2.455 -0.399 1.00 0.00 C ATOM 1299 CD1 LEU C 38 7.178 -1.023 -0.837 1.00 0.00 C ATOM 1300 CD2 LEU C 38 7.045 -3.393 -1.608 1.00 0.00 C ATOM 0 H LEU C 38 6.512 -2.433 2.735 1.00 0.00 H new ATOM 0 HA LEU C 38 6.590 -4.602 0.942 1.00 0.00 H new ATOM 0 HB2 LEU C 38 8.084 -2.012 1.358 1.00 0.00 H new ATOM 0 HB3 LEU C 38 8.810 -3.193 0.286 1.00 0.00 H new ATOM 0 HG LEU C 38 5.866 -2.522 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU C 38 6.485 -0.735 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU C 38 7.059 -0.351 0.013 1.00 0.00 H new ATOM 0 HD13 LEU C 38 8.200 -0.959 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU C 38 6.351 -3.095 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU C 38 8.066 -3.332 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU C 38 6.831 -4.418 -1.304 1.00 0.00 H new ATOM 1312 N ILE C 39 9.003 -4.538 3.175 1.00 0.00 N ATOM 1313 CA ILE C 39 10.085 -5.351 3.716 1.00 0.00 C ATOM 1314 C ILE C 39 9.564 -6.729 4.131 1.00 0.00 C ATOM 1315 O ILE C 39 10.195 -7.748 3.850 1.00 0.00 O ATOM 1316 CB ILE C 39 10.712 -4.649 4.927 1.00 0.00 C ATOM 1317 CG1 ILE C 39 11.418 -3.370 4.459 1.00 0.00 C ATOM 1318 CG2 ILE C 39 11.739 -5.576 5.586 1.00 0.00 C ATOM 1319 CD1 ILE C 39 11.839 -2.530 5.668 1.00 0.00 C ATOM 0 H ILE C 39 8.799 -3.686 3.697 1.00 0.00 H new ATOM 0 HA ILE C 39 10.842 -5.480 2.942 1.00 0.00 H new ATOM 0 HB ILE C 39 9.931 -4.401 5.646 1.00 0.00 H new ATOM 0 HG12 ILE C 39 12.293 -3.626 3.862 1.00 0.00 H new ATOM 0 HG13 ILE C 39 10.753 -2.792 3.818 1.00 0.00 H new ATOM 0 HG21 ILE C 39 12.183 -5.074 6.446 1.00 0.00 H new ATOM 0 HG22 ILE C 39 11.246 -6.491 5.914 1.00 0.00 H new ATOM 0 HG23 ILE C 39 12.520 -5.823 4.867 1.00 0.00 H new ATOM 0 HD11 ILE C 39 12.339 -1.624 5.325 1.00 0.00 H new ATOM 0 HD12 ILE C 39 10.957 -2.260 6.248 1.00 0.00 H new ATOM 0 HD13 ILE C 39 12.521 -3.107 6.292 1.00 0.00 H new ATOM 1331 N LEU C 40 8.419 -6.760 4.805 1.00 0.00 N ATOM 1332 CA LEU C 40 7.846 -8.031 5.244 1.00 0.00 C ATOM 1333 C LEU C 40 7.233 -8.802 4.068 1.00 0.00 C ATOM 1334 O LEU C 40 7.451 -10.006 3.924 1.00 0.00 O ATOM 1335 CB LEU C 40 6.782 -7.777 6.320 1.00 0.00 C ATOM 1336 CG LEU C 40 6.226 -9.111 6.854 1.00 0.00 C ATOM 1337 CD1 LEU C 40 7.352 -9.943 7.498 1.00 0.00 C ATOM 1338 CD2 LEU C 40 5.144 -8.814 7.900 1.00 0.00 C ATOM 0 H LEU C 40 7.875 -5.935 5.057 1.00 0.00 H new ATOM 0 HA LEU C 40 8.648 -8.640 5.662 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.215 -7.202 7.139 1.00 0.00 H new ATOM 0 HB3 LEU C 40 5.971 -7.179 5.904 1.00 0.00 H new ATOM 0 HG LEU C 40 5.802 -9.681 6.027 1.00 0.00 H new ATOM 0 HD11 LEU C 40 6.943 -10.882 7.870 1.00 0.00 H new ATOM 0 HD12 LEU C 40 8.121 -10.152 6.754 1.00 0.00 H new ATOM 0 HD13 LEU C 40 7.789 -9.384 8.326 1.00 0.00 H new ATOM 0 HD21 LEU C 40 4.743 -9.752 8.285 1.00 0.00 H new ATOM 0 HD22 LEU C 40 5.578 -8.241 8.720 1.00 0.00 H new ATOM 0 HD23 LEU C 40 4.341 -8.238 7.440 1.00 0.00 H new ATOM 1350 N TRP C 41 6.455 -8.104 3.241 1.00 0.00 N ATOM 1351 CA TRP C 41 5.800 -8.734 2.092 1.00 0.00 C ATOM 1352 C TRP C 41 6.818 -9.262 1.082 1.00 0.00 C ATOM 1353 O TRP C 41 6.694 -10.389 0.603 1.00 0.00 O ATOM 1354 CB TRP C 41 4.865 -7.717 1.420 1.00 0.00 C ATOM 1355 CG TRP C 41 4.371 -8.240 0.101 1.00 0.00 C ATOM 1356 CD1 TRP C 41 3.308 -9.060 -0.072 1.00 0.00 C ATOM 1357 CD2 TRP C 41 4.884 -7.953 -1.229 1.00 0.00 C ATOM 1358 NE1 TRP C 41 3.157 -9.314 -1.423 1.00 0.00 N ATOM 1359 CE2 TRP C 41 4.101 -8.649 -2.176 1.00 0.00 C ATOM 1360 CE3 TRP C 41 5.948 -7.164 -1.701 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 4.367 -8.565 -3.542 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 6.210 -7.075 -3.077 1.00 0.00 C ATOM 1363 CH2 TRP C 41 5.422 -7.775 -3.991 1.00 0.00 C ATOM 0 H TRP C 41 6.263 -7.107 3.343 1.00 0.00 H new ATOM 0 HA TRP C 41 5.224 -9.587 2.451 1.00 0.00 H new ATOM 0 HB2 TRP C 41 4.018 -7.507 2.074 1.00 0.00 H new ATOM 0 HB3 TRP C 41 5.392 -6.775 1.269 1.00 0.00 H new ATOM 0 HD1 TRP C 41 2.681 -9.451 0.715 1.00 0.00 H new ATOM 0 HE1 TRP C 41 2.435 -9.919 -1.814 1.00 0.00 H new ATOM 0 HE3 TRP C 41 6.567 -6.623 -1.001 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 3.758 -9.110 -4.248 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 7.026 -6.462 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP C 41 5.631 -7.704 -5.048 1.00 0.00 H new ATOM 1374 N ILE C 42 7.812 -8.447 0.750 1.00 0.00 N ATOM 1375 CA ILE C 42 8.823 -8.864 -0.217 1.00 0.00 C ATOM 1376 C ILE C 42 9.632 -10.033 0.341 1.00 0.00 C ATOM 1377 O ILE C 42 9.999 -10.954 -0.389 1.00 0.00 O ATOM 1378 CB ILE C 42 9.752 -7.684 -0.563 1.00 0.00 C ATOM 1379 CG1 ILE C 42 10.524 -7.996 -1.853 1.00 0.00 C ATOM 1380 CG2 ILE C 42 10.750 -7.436 0.580 1.00 0.00 C ATOM 1381 CD1 ILE C 42 11.264 -6.740 -2.317 1.00 0.00 C ATOM 0 H ILE C 42 7.940 -7.508 1.128 1.00 0.00 H new ATOM 0 HA ILE C 42 8.323 -9.189 -1.130 1.00 0.00 H new ATOM 0 HB ILE C 42 9.144 -6.790 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE C 42 11.233 -8.806 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE C 42 9.837 -8.334 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE C 42 11.399 -6.600 0.321 1.00 0.00 H new ATOM 0 HG22 ILE C 42 10.205 -7.203 1.495 1.00 0.00 H new ATOM 0 HG23 ILE C 42 11.354 -8.330 0.736 1.00 0.00 H new ATOM 0 HD11 ILE C 42 11.813 -6.959 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE C 42 10.545 -5.943 -2.507 1.00 0.00 H new ATOM 0 HD13 ILE C 42 11.962 -6.422 -1.543 1.00 0.00 H new ATOM 1393 N LEU C 43 9.905 -9.984 1.643 1.00 0.00 N ATOM 1394 CA LEU C 43 10.670 -11.040 2.296 1.00 0.00 C ATOM 1395 C LEU C 43 9.933 -12.376 2.205 1.00 0.00 C ATOM 1396 O LEU C 43 10.542 -13.413 1.940 1.00 0.00 O ATOM 1397 CB LEU C 43 10.901 -10.672 3.769 1.00 0.00 C ATOM 1398 CG LEU C 43 11.653 -11.799 4.498 1.00 0.00 C ATOM 1399 CD1 LEU C 43 12.982 -12.101 3.786 1.00 0.00 C ATOM 1400 CD2 LEU C 43 11.931 -11.357 5.939 1.00 0.00 C ATOM 0 H LEU C 43 9.610 -9.229 2.262 1.00 0.00 H new ATOM 0 HA LEU C 43 11.630 -11.141 1.789 1.00 0.00 H new ATOM 0 HB2 LEU C 43 11.472 -9.746 3.833 1.00 0.00 H new ATOM 0 HB3 LEU C 43 9.944 -10.490 4.258 1.00 0.00 H new ATOM 0 HG LEU C 43 11.043 -12.702 4.494 1.00 0.00 H new ATOM 0 HD11 LEU C 43 13.503 -12.900 4.313 1.00 0.00 H new ATOM 0 HD12 LEU C 43 12.783 -12.412 2.760 1.00 0.00 H new ATOM 0 HD13 LEU C 43 13.603 -11.205 3.780 1.00 0.00 H new ATOM 0 HD21 LEU C 43 12.464 -12.148 6.466 1.00 0.00 H new ATOM 0 HD22 LEU C 43 12.539 -10.453 5.931 1.00 0.00 H new ATOM 0 HD23 LEU C 43 10.987 -11.155 6.446 1.00 0.00 H new ATOM 1412 N ASP C 44 8.621 -12.347 2.427 1.00 0.00 N ATOM 1413 CA ASP C 44 7.824 -13.566 2.369 1.00 0.00 C ATOM 1414 C ASP C 44 7.907 -14.186 0.978 1.00 0.00 C ATOM 1415 O ASP C 44 8.068 -15.398 0.835 1.00 0.00 O ATOM 1416 CB ASP C 44 6.363 -13.251 2.701 1.00 0.00 C ATOM 1417 CG ASP C 44 5.529 -14.529 2.655 1.00 0.00 C ATOM 1418 OD1 ASP C 44 6.068 -15.550 2.262 1.00 0.00 O ATOM 1419 OD2 ASP C 44 4.365 -14.465 3.012 1.00 0.00 O ATOM 0 H ASP C 44 8.093 -11.502 2.646 1.00 0.00 H new ATOM 0 HA ASP C 44 8.217 -14.274 3.099 1.00 0.00 H new ATOM 0 HB2 ASP C 44 6.296 -12.799 3.690 1.00 0.00 H new ATOM 0 HB3 ASP C 44 5.969 -12.524 1.991 1.00 0.00 H new ATOM 1424 N ARG C 45 7.800 -13.344 -0.043 1.00 0.00 N ATOM 1425 CA ARG C 45 7.865 -13.814 -1.423 1.00 0.00 C ATOM 1426 C ARG C 45 9.261 -14.342 -1.744 1.00 0.00 C ATOM 1427 O ARG C 45 9.430 -15.163 -2.647 1.00 0.00 O ATOM 1428 CB ARG C 45 7.524 -12.668 -2.384 1.00 0.00 C ATOM 1429 CG ARG C 45 6.116 -12.121 -2.101 1.00 0.00 C ATOM 1430 CD ARG C 45 5.045 -13.114 -2.569 1.00 0.00 C ATOM 1431 NE ARG C 45 3.732 -12.475 -2.562 1.00 0.00 N ATOM 1432 CZ ARG C 45 3.314 -11.744 -3.590 1.00 0.00 C ATOM 1433 NH1 ARG C 45 4.086 -11.580 -4.630 1.00 0.00 N ATOM 1434 NH2 ARG C 45 2.131 -11.193 -3.559 1.00 0.00 N ATOM 0 H ARG C 45 7.669 -12.337 0.057 1.00 0.00 H new ATOM 0 HA ARG C 45 7.142 -14.621 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG C 45 8.258 -11.869 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG C 45 7.582 -13.021 -3.414 1.00 0.00 H new ATOM 0 HG2 ARG C 45 6.002 -11.931 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG C 45 5.982 -11.167 -2.610 1.00 0.00 H new ATOM 0 HD2 ARG C 45 5.280 -13.469 -3.572 1.00 0.00 H new ATOM 0 HD3 ARG C 45 5.037 -13.987 -1.916 1.00 0.00 H new ATOM 0 HE ARG C 45 3.124 -12.592 -1.752 1.00 0.00 H new ATOM 0 HH11 ARG C 45 5.009 -12.013 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG C 45 3.766 -11.019 -5.419 1.00 0.00 H new ATOM 0 HH21 ARG C 45 1.529 -11.324 -2.746 1.00 0.00 H new ATOM 0 HH22 ARG C 45 1.809 -10.632 -4.347 1.00 0.00 H new ATOM 1637 N VAL D 27 -6.695 12.560 2.355 1.00 0.00 N ATOM 1638 CA VAL D 27 -5.380 12.080 2.764 1.00 0.00 C ATOM 1639 C VAL D 27 -5.499 11.159 3.975 1.00 0.00 C ATOM 1640 O VAL D 27 -4.870 10.103 4.029 1.00 0.00 O ATOM 1641 CB VAL D 27 -4.474 13.268 3.104 1.00 0.00 C ATOM 1642 CG1 VAL D 27 -3.148 12.764 3.675 1.00 0.00 C ATOM 1643 CG2 VAL D 27 -4.203 14.080 1.836 1.00 0.00 C ATOM 0 HA VAL D 27 -4.944 11.517 1.939 1.00 0.00 H new ATOM 0 HB VAL D 27 -4.969 13.896 3.845 1.00 0.00 H new ATOM 0 HG11 VAL D 27 -2.509 13.614 3.915 1.00 0.00 H new ATOM 0 HG12 VAL D 27 -3.338 12.186 4.580 1.00 0.00 H new ATOM 0 HG13 VAL D 27 -2.651 12.132 2.938 1.00 0.00 H new ATOM 0 HG21 VAL D 27 -3.559 14.926 2.076 1.00 0.00 H new ATOM 0 HG22 VAL D 27 -3.711 13.447 1.097 1.00 0.00 H new ATOM 0 HG23 VAL D 27 -5.146 14.446 1.430 1.00 0.00 H new ATOM 1653 N VAL D 28 -6.309 11.570 4.945 1.00 0.00 N ATOM 1654 CA VAL D 28 -6.502 10.780 6.153 1.00 0.00 C ATOM 1655 C VAL D 28 -7.133 9.434 5.814 1.00 0.00 C ATOM 1656 O VAL D 28 -6.722 8.396 6.334 1.00 0.00 O ATOM 1657 CB VAL D 28 -7.401 11.535 7.135 1.00 0.00 C ATOM 1658 CG1 VAL D 28 -7.679 10.654 8.355 1.00 0.00 C ATOM 1659 CG2 VAL D 28 -6.696 12.818 7.584 1.00 0.00 C ATOM 0 H VAL D 28 -6.839 12.441 4.918 1.00 0.00 H new ATOM 0 HA VAL D 28 -5.529 10.609 6.613 1.00 0.00 H new ATOM 0 HB VAL D 28 -8.343 11.786 6.647 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -8.319 11.192 9.054 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -8.178 9.739 8.037 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -6.738 10.403 8.844 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -7.334 13.358 8.284 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -5.755 12.564 8.072 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -6.496 13.446 6.716 1.00 0.00 H new ATOM 1669 N ALA D 29 -8.136 9.457 4.944 1.00 0.00 N ATOM 1670 CA ALA D 29 -8.818 8.231 4.551 1.00 0.00 C ATOM 1671 C ALA D 29 -7.834 7.247 3.929 1.00 0.00 C ATOM 1672 O ALA D 29 -7.904 6.045 4.179 1.00 0.00 O ATOM 1673 CB ALA D 29 -9.928 8.548 3.544 1.00 0.00 C ATOM 0 H ALA D 29 -8.492 10.304 4.501 1.00 0.00 H new ATOM 0 HA ALA D 29 -9.254 7.780 5.442 1.00 0.00 H new ATOM 0 HB1 ALA D 29 -10.432 7.626 3.256 1.00 0.00 H new ATOM 0 HB2 ALA D 29 -10.648 9.229 3.998 1.00 0.00 H new ATOM 0 HB3 ALA D 29 -9.495 9.016 2.660 1.00 0.00 H new ATOM 1679 N ALA D 30 -6.917 7.760 3.119 1.00 0.00 N ATOM 1680 CA ALA D 30 -5.929 6.905 2.473 1.00 0.00 C ATOM 1681 C ALA D 30 -5.028 6.239 3.509 1.00 0.00 C ATOM 1682 O ALA D 30 -4.692 5.062 3.384 1.00 0.00 O ATOM 1683 CB ALA D 30 -5.078 7.731 1.507 1.00 0.00 C ATOM 0 H ALA D 30 -6.836 8.752 2.895 1.00 0.00 H new ATOM 0 HA ALA D 30 -6.457 6.128 1.921 1.00 0.00 H new ATOM 0 HB1 ALA D 30 -4.342 7.086 1.028 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -5.720 8.177 0.747 1.00 0.00 H new ATOM 0 HB3 ALA D 30 -4.565 8.520 2.057 1.00 0.00 H new ATOM 1689 N ASN D 31 -4.638 6.997 4.529 1.00 0.00 N ATOM 1690 CA ASN D 31 -3.776 6.461 5.577 1.00 0.00 C ATOM 1691 C ASN D 31 -4.492 5.351 6.343 1.00 0.00 C ATOM 1692 O ASN D 31 -3.904 4.315 6.649 1.00 0.00 O ATOM 1693 CB ASN D 31 -3.375 7.574 6.546 1.00 0.00 C ATOM 1694 CG ASN D 31 -2.463 7.016 7.630 1.00 0.00 C ATOM 1695 OD1 ASN D 31 -1.627 6.155 7.357 1.00 0.00 O ATOM 1696 ND2 ASN D 31 -2.572 7.456 8.855 1.00 0.00 N ATOM 0 H ASN D 31 -4.902 7.975 4.652 1.00 0.00 H new ATOM 0 HA ASN D 31 -2.882 6.048 5.110 1.00 0.00 H new ATOM 0 HB2 ASN D 31 -2.866 8.372 6.006 1.00 0.00 H new ATOM 0 HB3 ASN D 31 -4.265 8.012 6.998 1.00 0.00 H new ATOM 0 HD21 ASN D 31 -1.964 7.086 9.586 1.00 0.00 H new ATOM 0 HD22 ASN D 31 -3.265 8.170 9.081 1.00 0.00 H new ATOM 1703 N ILE D 32 -5.765 5.580 6.646 1.00 0.00 N ATOM 1704 CA ILE D 32 -6.560 4.596 7.373 1.00 0.00 C ATOM 1705 C ILE D 32 -6.729 3.330 6.539 1.00 0.00 C ATOM 1706 O ILE D 32 -6.635 2.216 7.054 1.00 0.00 O ATOM 1707 CB ILE D 32 -7.934 5.181 7.717 1.00 0.00 C ATOM 1708 CG1 ILE D 32 -7.760 6.313 8.732 1.00 0.00 C ATOM 1709 CG2 ILE D 32 -8.823 4.091 8.323 1.00 0.00 C ATOM 1710 CD1 ILE D 32 -9.076 7.080 8.877 1.00 0.00 C ATOM 0 H ILE D 32 -6.267 6.434 6.401 1.00 0.00 H new ATOM 0 HA ILE D 32 -6.040 4.341 8.296 1.00 0.00 H new ATOM 0 HB ILE D 32 -8.401 5.565 6.810 1.00 0.00 H new ATOM 0 HG12 ILE D 32 -7.456 5.906 9.697 1.00 0.00 H new ATOM 0 HG13 ILE D 32 -6.968 6.988 8.407 1.00 0.00 H new ATOM 0 HG21 ILE D 32 -9.799 4.511 8.566 1.00 0.00 H new ATOM 0 HG22 ILE D 32 -8.946 3.280 7.605 1.00 0.00 H new ATOM 0 HG23 ILE D 32 -8.358 3.705 9.230 1.00 0.00 H new ATOM 0 HD11 ILE D 32 -8.950 7.886 9.600 1.00 0.00 H new ATOM 0 HD12 ILE D 32 -9.361 7.500 7.912 1.00 0.00 H new ATOM 0 HD13 ILE D 32 -9.856 6.402 9.222 1.00 0.00 H new ATOM 1722 N ILE D 33 -6.998 3.512 5.252 1.00 0.00 N ATOM 1723 CA ILE D 33 -7.199 2.383 4.354 1.00 0.00 C ATOM 1724 C ILE D 33 -5.931 1.534 4.266 1.00 0.00 C ATOM 1725 O ILE D 33 -5.997 0.305 4.308 1.00 0.00 O ATOM 1726 CB ILE D 33 -7.576 2.900 2.955 1.00 0.00 C ATOM 1727 CG1 ILE D 33 -8.976 3.558 2.992 1.00 0.00 C ATOM 1728 CG2 ILE D 33 -7.564 1.740 1.952 1.00 0.00 C ATOM 1729 CD1 ILE D 33 -10.090 2.511 2.826 1.00 0.00 C ATOM 0 H ILE D 33 -7.082 4.427 4.809 1.00 0.00 H new ATOM 0 HA ILE D 33 -8.005 1.763 4.745 1.00 0.00 H new ATOM 0 HB ILE D 33 -6.846 3.647 2.642 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -9.107 4.085 3.937 1.00 0.00 H new ATOM 0 HG13 ILE D 33 -9.052 4.302 2.199 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -7.832 2.112 0.963 1.00 0.00 H new ATOM 0 HG22 ILE D 33 -6.568 1.300 1.917 1.00 0.00 H new ATOM 0 HG23 ILE D 33 -8.284 0.983 2.262 1.00 0.00 H new ATOM 0 HD11 ILE D 33 -11.061 3.005 2.856 1.00 0.00 H new ATOM 0 HD12 ILE D 33 -9.971 2.002 1.869 1.00 0.00 H new ATOM 0 HD13 ILE D 33 -10.028 1.783 3.634 1.00 0.00 H new ATOM 1741 N GLY D 34 -4.782 2.189 4.145 1.00 0.00 N ATOM 1742 CA GLY D 34 -3.516 1.471 4.052 1.00 0.00 C ATOM 1743 C GLY D 34 -3.232 0.695 5.336 1.00 0.00 C ATOM 1744 O GLY D 34 -2.837 -0.472 5.297 1.00 0.00 O ATOM 0 H GLY D 34 -4.700 3.205 4.109 1.00 0.00 H new ATOM 0 HA2 GLY D 34 -3.545 0.784 3.206 1.00 0.00 H new ATOM 0 HA3 GLY D 34 -2.707 2.176 3.862 1.00 0.00 H new ATOM 1748 N ILE D 35 -3.443 1.350 6.471 1.00 0.00 N ATOM 1749 CA ILE D 35 -3.213 0.717 7.764 1.00 0.00 C ATOM 1750 C ILE D 35 -4.175 -0.455 7.956 1.00 0.00 C ATOM 1751 O ILE D 35 -3.783 -1.526 8.427 1.00 0.00 O ATOM 1752 CB ILE D 35 -3.395 1.748 8.884 1.00 0.00 C ATOM 1753 CG1 ILE D 35 -2.272 2.786 8.792 1.00 0.00 C ATOM 1754 CG2 ILE D 35 -3.329 1.049 10.245 1.00 0.00 C ATOM 1755 CD1 ILE D 35 -2.605 3.990 9.675 1.00 0.00 C ATOM 0 H ILE D 35 -3.771 2.314 6.523 1.00 0.00 H new ATOM 0 HA ILE D 35 -2.193 0.334 7.799 1.00 0.00 H new ATOM 0 HB ILE D 35 -4.364 2.237 8.778 1.00 0.00 H new ATOM 0 HG12 ILE D 35 -1.328 2.342 9.107 1.00 0.00 H new ATOM 0 HG13 ILE D 35 -2.144 3.106 7.758 1.00 0.00 H new ATOM 0 HG21 ILE D 35 -3.459 1.785 11.039 1.00 0.00 H new ATOM 0 HG22 ILE D 35 -4.121 0.302 10.309 1.00 0.00 H new ATOM 0 HG23 ILE D 35 -2.361 0.561 10.357 1.00 0.00 H new ATOM 0 HD11 ILE D 35 -1.803 4.725 9.606 1.00 0.00 H new ATOM 0 HD12 ILE D 35 -3.539 4.440 9.340 1.00 0.00 H new ATOM 0 HD13 ILE D 35 -2.710 3.664 10.710 1.00 0.00 H new ATOM 1767 N LEU D 36 -5.432 -0.242 7.583 1.00 0.00 N ATOM 1768 CA LEU D 36 -6.445 -1.281 7.710 1.00 0.00 C ATOM 1769 C LEU D 36 -6.065 -2.488 6.858 1.00 0.00 C ATOM 1770 O LEU D 36 -6.271 -3.634 7.260 1.00 0.00 O ATOM 1771 CB LEU D 36 -7.813 -0.743 7.275 1.00 0.00 C ATOM 1772 CG LEU D 36 -8.898 -1.820 7.447 1.00 0.00 C ATOM 1773 CD1 LEU D 36 -9.000 -2.252 8.921 1.00 0.00 C ATOM 1774 CD2 LEU D 36 -10.243 -1.250 6.981 1.00 0.00 C ATOM 0 H LEU D 36 -5.772 0.637 7.192 1.00 0.00 H new ATOM 0 HA LEU D 36 -6.504 -1.588 8.754 1.00 0.00 H new ATOM 0 HB2 LEU D 36 -8.069 0.136 7.866 1.00 0.00 H new ATOM 0 HB3 LEU D 36 -7.770 -0.425 6.233 1.00 0.00 H new ATOM 0 HG LEU D 36 -8.635 -2.693 6.849 1.00 0.00 H new ATOM 0 HD11 LEU D 36 -9.772 -3.014 9.024 1.00 0.00 H new ATOM 0 HD12 LEU D 36 -8.043 -2.659 9.248 1.00 0.00 H new ATOM 0 HD13 LEU D 36 -9.257 -1.390 9.536 1.00 0.00 H new ATOM 0 HD21 LEU D 36 -11.019 -2.006 7.099 1.00 0.00 H new ATOM 0 HD22 LEU D 36 -10.495 -0.375 7.580 1.00 0.00 H new ATOM 0 HD23 LEU D 36 -10.173 -0.963 5.932 1.00 0.00 H new ATOM 1786 N HIS D 37 -5.507 -2.224 5.681 1.00 0.00 N ATOM 1787 CA HIS D 37 -5.102 -3.300 4.784 1.00 0.00 C ATOM 1788 C HIS D 37 -4.094 -4.201 5.483 1.00 0.00 C ATOM 1789 O HIS D 37 -4.156 -5.424 5.367 1.00 0.00 O ATOM 1790 CB HIS D 37 -4.471 -2.722 3.514 1.00 0.00 C ATOM 1791 CG HIS D 37 -4.106 -3.850 2.586 1.00 0.00 C ATOM 1792 ND1 HIS D 37 -4.664 -3.987 1.327 1.00 0.00 N ATOM 1793 CD2 HIS D 37 -3.254 -4.914 2.730 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -4.148 -5.099 0.774 1.00 0.00 C ATOM 1795 NE2 HIS D 37 -3.284 -5.701 1.588 1.00 0.00 N ATOM 0 H HIS D 37 -5.326 -1.284 5.329 1.00 0.00 H new ATOM 0 HA HIS D 37 -5.984 -3.880 4.513 1.00 0.00 H new ATOM 0 HB2 HIS D 37 -5.168 -2.043 3.024 1.00 0.00 H new ATOM 0 HB3 HIS D 37 -3.584 -2.141 3.766 1.00 0.00 H new ATOM 0 HD2 HIS D 37 -2.649 -5.110 3.603 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -4.404 -5.460 -0.211 1.00 0.00 H new ATOM 0 HE2 HIS D 37 -2.758 -6.556 1.410 1.00 0.00 H new ATOM 1803 N LEU D 38 -3.167 -3.589 6.207 1.00 0.00 N ATOM 1804 CA LEU D 38 -2.146 -4.347 6.920 1.00 0.00 C ATOM 1805 C LEU D 38 -2.772 -5.270 7.960 1.00 0.00 C ATOM 1806 O LEU D 38 -2.314 -6.394 8.144 1.00 0.00 O ATOM 1807 CB LEU D 38 -1.156 -3.381 7.598 1.00 0.00 C ATOM 1808 CG LEU D 38 0.005 -3.043 6.639 1.00 0.00 C ATOM 1809 CD1 LEU D 38 0.629 -1.710 7.035 1.00 0.00 C ATOM 1810 CD2 LEU D 38 1.079 -4.142 6.707 1.00 0.00 C ATOM 0 H LEU D 38 -3.100 -2.577 6.316 1.00 0.00 H new ATOM 0 HA LEU D 38 -1.612 -4.965 6.198 1.00 0.00 H new ATOM 0 HB2 LEU D 38 -1.672 -2.467 7.891 1.00 0.00 H new ATOM 0 HB3 LEU D 38 -0.764 -3.832 8.510 1.00 0.00 H new ATOM 0 HG LEU D 38 -0.385 -2.978 5.623 1.00 0.00 H new ATOM 0 HD11 LEU D 38 1.448 -1.476 6.355 1.00 0.00 H new ATOM 0 HD12 LEU D 38 -0.125 -0.925 6.979 1.00 0.00 H new ATOM 0 HD13 LEU D 38 1.011 -1.775 8.054 1.00 0.00 H new ATOM 0 HD21 LEU D 38 1.895 -3.896 6.027 1.00 0.00 H new ATOM 0 HD22 LEU D 38 1.463 -4.213 7.725 1.00 0.00 H new ATOM 0 HD23 LEU D 38 0.641 -5.097 6.417 1.00 0.00 H new ATOM 1822 N ILE D 39 -3.801 -4.794 8.645 1.00 0.00 N ATOM 1823 CA ILE D 39 -4.441 -5.611 9.670 1.00 0.00 C ATOM 1824 C ILE D 39 -5.037 -6.876 9.051 1.00 0.00 C ATOM 1825 O ILE D 39 -4.888 -7.970 9.596 1.00 0.00 O ATOM 1826 CB ILE D 39 -5.542 -4.805 10.369 1.00 0.00 C ATOM 1827 CG1 ILE D 39 -4.904 -3.659 11.162 1.00 0.00 C ATOM 1828 CG2 ILE D 39 -6.314 -5.715 11.332 1.00 0.00 C ATOM 1829 CD1 ILE D 39 -5.989 -2.703 11.666 1.00 0.00 C ATOM 0 H ILE D 39 -4.205 -3.867 8.516 1.00 0.00 H new ATOM 0 HA ILE D 39 -3.688 -5.902 10.403 1.00 0.00 H new ATOM 0 HB ILE D 39 -6.226 -4.402 9.622 1.00 0.00 H new ATOM 0 HG12 ILE D 39 -4.340 -4.059 12.005 1.00 0.00 H new ATOM 0 HG13 ILE D 39 -4.197 -3.120 10.532 1.00 0.00 H new ATOM 0 HG21 ILE D 39 -7.096 -5.140 11.828 1.00 0.00 H new ATOM 0 HG22 ILE D 39 -6.765 -6.536 10.774 1.00 0.00 H new ATOM 0 HG23 ILE D 39 -5.630 -6.117 12.080 1.00 0.00 H new ATOM 0 HD11 ILE D 39 -5.527 -1.892 12.228 1.00 0.00 H new ATOM 0 HD12 ILE D 39 -6.534 -2.291 10.817 1.00 0.00 H new ATOM 0 HD13 ILE D 39 -6.680 -3.245 12.312 1.00 0.00 H new ATOM 1841 N LEU D 40 -5.714 -6.729 7.916 1.00 0.00 N ATOM 1842 CA LEU D 40 -6.319 -7.882 7.254 1.00 0.00 C ATOM 1843 C LEU D 40 -5.260 -8.751 6.565 1.00 0.00 C ATOM 1844 O LEU D 40 -5.275 -9.975 6.687 1.00 0.00 O ATOM 1845 CB LEU D 40 -7.359 -7.406 6.229 1.00 0.00 C ATOM 1846 CG LEU D 40 -8.069 -8.609 5.583 1.00 0.00 C ATOM 1847 CD1 LEU D 40 -8.810 -9.434 6.653 1.00 0.00 C ATOM 1848 CD2 LEU D 40 -9.073 -8.093 4.543 1.00 0.00 C ATOM 0 H LEU D 40 -5.857 -5.838 7.441 1.00 0.00 H new ATOM 0 HA LEU D 40 -6.809 -8.492 8.014 1.00 0.00 H new ATOM 0 HB2 LEU D 40 -8.091 -6.763 6.717 1.00 0.00 H new ATOM 0 HB3 LEU D 40 -6.872 -6.807 5.459 1.00 0.00 H new ATOM 0 HG LEU D 40 -7.329 -9.249 5.103 1.00 0.00 H new ATOM 0 HD11 LEU D 40 -9.307 -10.281 6.180 1.00 0.00 H new ATOM 0 HD12 LEU D 40 -8.095 -9.798 7.391 1.00 0.00 H new ATOM 0 HD13 LEU D 40 -9.553 -8.807 7.146 1.00 0.00 H new ATOM 0 HD21 LEU D 40 -9.582 -8.937 4.079 1.00 0.00 H new ATOM 0 HD22 LEU D 40 -9.806 -7.451 5.032 1.00 0.00 H new ATOM 0 HD23 LEU D 40 -8.545 -7.523 3.779 1.00 0.00 H new ATOM 1860 N TRP D 41 -4.351 -8.110 5.829 1.00 0.00 N ATOM 1861 CA TRP D 41 -3.299 -8.830 5.109 1.00 0.00 C ATOM 1862 C TRP D 41 -2.364 -9.566 6.069 1.00 0.00 C ATOM 1863 O TRP D 41 -2.039 -10.734 5.851 1.00 0.00 O ATOM 1864 CB TRP D 41 -2.502 -7.842 4.247 1.00 0.00 C ATOM 1865 CG TRP D 41 -1.267 -8.491 3.693 1.00 0.00 C ATOM 1866 CD1 TRP D 41 -1.206 -9.240 2.565 1.00 0.00 C ATOM 1867 CD2 TRP D 41 0.093 -8.422 4.206 1.00 0.00 C ATOM 1868 NE1 TRP D 41 0.098 -9.655 2.374 1.00 0.00 N ATOM 1869 CE2 TRP D 41 0.936 -9.174 3.356 1.00 0.00 C ATOM 1870 CE3 TRP D 41 0.670 -7.792 5.322 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 2.303 -9.291 3.606 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 2.046 -7.905 5.568 1.00 0.00 C ATOM 1873 CH2 TRP D 41 2.858 -8.654 4.712 1.00 0.00 C ATOM 0 H TRP D 41 -4.322 -7.097 5.716 1.00 0.00 H new ATOM 0 HA TRP D 41 -3.770 -9.578 4.471 1.00 0.00 H new ATOM 0 HB2 TRP D 41 -3.126 -7.481 3.429 1.00 0.00 H new ATOM 0 HB3 TRP D 41 -2.225 -6.973 4.844 1.00 0.00 H new ATOM 0 HD1 TRP D 41 -2.040 -9.474 1.921 1.00 0.00 H new ATOM 0 HE1 TRP D 41 0.403 -10.246 1.600 1.00 0.00 H new ATOM 0 HE3 TRP D 41 0.050 -7.217 5.994 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 2.928 -9.873 2.945 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 2.481 -7.410 6.424 1.00 0.00 H new ATOM 0 HH2 TRP D 41 3.917 -8.739 4.909 1.00 0.00 H new ATOM 1884 N ILE D 42 -1.922 -8.883 7.119 1.00 0.00 N ATOM 1885 CA ILE D 42 -1.015 -9.501 8.079 1.00 0.00 C ATOM 1886 C ILE D 42 -1.719 -10.646 8.804 1.00 0.00 C ATOM 1887 O ILE D 42 -1.114 -11.681 9.088 1.00 0.00 O ATOM 1888 CB ILE D 42 -0.510 -8.454 9.090 1.00 0.00 C ATOM 1889 CG1 ILE D 42 0.732 -8.992 9.816 1.00 0.00 C ATOM 1890 CG2 ILE D 42 -1.603 -8.136 10.122 1.00 0.00 C ATOM 1891 CD1 ILE D 42 1.363 -7.870 10.644 1.00 0.00 C ATOM 0 H ILE D 42 -2.172 -7.916 7.326 1.00 0.00 H new ATOM 0 HA ILE D 42 -0.156 -9.903 7.542 1.00 0.00 H new ATOM 0 HB ILE D 42 -0.255 -7.543 8.549 1.00 0.00 H new ATOM 0 HG12 ILE D 42 0.456 -9.825 10.463 1.00 0.00 H new ATOM 0 HG13 ILE D 42 1.452 -9.374 9.093 1.00 0.00 H new ATOM 0 HG21 ILE D 42 -1.231 -7.395 10.829 1.00 0.00 H new ATOM 0 HG22 ILE D 42 -2.482 -7.742 9.612 1.00 0.00 H new ATOM 0 HG23 ILE D 42 -1.873 -9.046 10.658 1.00 0.00 H new ATOM 0 HD11 ILE D 42 2.245 -8.250 11.160 1.00 0.00 H new ATOM 0 HD12 ILE D 42 1.653 -7.051 9.986 1.00 0.00 H new ATOM 0 HD13 ILE D 42 0.641 -7.509 11.377 1.00 0.00 H new ATOM 1903 N LEU D 43 -3.000 -10.448 9.100 1.00 0.00 N ATOM 1904 CA LEU D 43 -3.784 -11.464 9.790 1.00 0.00 C ATOM 1905 C LEU D 43 -3.877 -12.738 8.952 1.00 0.00 C ATOM 1906 O LEU D 43 -3.749 -13.844 9.476 1.00 0.00 O ATOM 1907 CB LEU D 43 -5.193 -10.925 10.075 1.00 0.00 C ATOM 1908 CG LEU D 43 -6.060 -11.999 10.750 1.00 0.00 C ATOM 1909 CD1 LEU D 43 -5.390 -12.497 12.040 1.00 0.00 C ATOM 1910 CD2 LEU D 43 -7.427 -11.395 11.083 1.00 0.00 C ATOM 0 H LEU D 43 -3.514 -9.597 8.874 1.00 0.00 H new ATOM 0 HA LEU D 43 -3.289 -11.705 10.731 1.00 0.00 H new ATOM 0 HB2 LEU D 43 -5.129 -10.046 10.717 1.00 0.00 H new ATOM 0 HB3 LEU D 43 -5.661 -10.606 9.144 1.00 0.00 H new ATOM 0 HG LEU D 43 -6.178 -12.844 10.072 1.00 0.00 H new ATOM 0 HD11 LEU D 43 -6.017 -13.257 12.506 1.00 0.00 H new ATOM 0 HD12 LEU D 43 -4.416 -12.926 11.802 1.00 0.00 H new ATOM 0 HD13 LEU D 43 -5.261 -11.662 12.729 1.00 0.00 H new ATOM 0 HD21 LEU D 43 -8.051 -12.149 11.563 1.00 0.00 H new ATOM 0 HD22 LEU D 43 -7.296 -10.549 11.758 1.00 0.00 H new ATOM 0 HD23 LEU D 43 -7.908 -11.056 10.166 1.00 0.00 H new ATOM 1922 N ASP D 44 -4.098 -12.577 7.651 1.00 0.00 N ATOM 1923 CA ASP D 44 -4.204 -13.729 6.761 1.00 0.00 C ATOM 1924 C ASP D 44 -2.909 -14.530 6.775 1.00 0.00 C ATOM 1925 O ASP D 44 -2.927 -15.760 6.839 1.00 0.00 O ATOM 1926 CB ASP D 44 -4.503 -13.260 5.335 1.00 0.00 C ATOM 1927 CG ASP D 44 -4.631 -14.463 4.405 1.00 0.00 C ATOM 1928 OD1 ASP D 44 -4.371 -15.567 4.856 1.00 0.00 O ATOM 1929 OD2 ASP D 44 -4.983 -14.262 3.254 1.00 0.00 O ATOM 0 H ASP D 44 -4.206 -11.672 7.193 1.00 0.00 H new ATOM 0 HA ASP D 44 -5.017 -14.365 7.110 1.00 0.00 H new ATOM 0 HB2 ASP D 44 -5.425 -12.679 5.320 1.00 0.00 H new ATOM 0 HB3 ASP D 44 -3.707 -12.603 4.985 1.00 0.00 H new ATOM 1934 N ARG D 45 -1.787 -13.825 6.716 1.00 0.00 N ATOM 1935 CA ARG D 45 -0.481 -14.476 6.724 1.00 0.00 C ATOM 1936 C ARG D 45 -0.224 -15.150 8.071 1.00 0.00 C ATOM 1937 O ARG D 45 0.562 -16.092 8.161 1.00 0.00 O ATOM 1938 CB ARG D 45 0.621 -13.444 6.458 1.00 0.00 C ATOM 1939 CG ARG D 45 0.406 -12.755 5.098 1.00 0.00 C ATOM 1940 CD ARG D 45 0.734 -13.714 3.947 1.00 0.00 C ATOM 1941 NE ARG D 45 0.802 -12.977 2.689 1.00 0.00 N ATOM 1942 CZ ARG D 45 1.916 -12.358 2.312 1.00 0.00 C ATOM 1943 NH1 ARG D 45 2.974 -12.394 3.077 1.00 0.00 N ATOM 1944 NH2 ARG D 45 1.953 -11.712 1.178 1.00 0.00 N ATOM 0 H ARG D 45 -1.753 -12.807 6.662 1.00 0.00 H new ATOM 0 HA ARG D 45 -0.472 -15.233 5.940 1.00 0.00 H new ATOM 0 HB2 ARG D 45 0.626 -12.698 7.252 1.00 0.00 H new ATOM 0 HB3 ARG D 45 1.595 -13.933 6.473 1.00 0.00 H new ATOM 0 HG2 ARG D 45 -0.627 -12.419 5.014 1.00 0.00 H new ATOM 0 HG3 ARG D 45 1.036 -11.868 5.030 1.00 0.00 H new ATOM 0 HD2 ARG D 45 1.684 -14.213 4.138 1.00 0.00 H new ATOM 0 HD3 ARG D 45 -0.027 -14.492 3.882 1.00 0.00 H new ATOM 0 HE ARG D 45 -0.021 -12.936 2.088 1.00 0.00 H new ATOM 0 HH11 ARG D 45 2.945 -12.897 3.964 1.00 0.00 H new ATOM 0 HH12 ARG D 45 3.829 -11.919 2.788 1.00 0.00 H new ATOM 0 HH21 ARG D 45 1.127 -11.682 0.581 1.00 0.00 H new ATOM 0 HH22 ARG D 45 2.808 -11.237 0.889 1.00 0.00 H new