USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 576 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 ASN : amide:sc= -2.04! C(o=-2!,f=-4!) USER MOD Single : A 37 HIS : no HD1:sc= -9.47! C(o=-9.5!,f=-12!) USER MOD Single : B 31 ASN : amide:sc= -2.05! C(o=-2!,f=-3.4!) USER MOD Single : B 37 HIS : no HD1:sc= -9.26! C(o=-9.3!,f=-11!) USER MOD Single : C 31 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.8!) USER MOD Single : C 37 HIS : no HD1:sc= -9.18! C(o=-9.2!,f=-11!) USER MOD Single : D 31 ASN : amide:sc= -2.06! C(o=-2.1!,f=-4.3!) USER MOD Single : D 37 HIS : no HD1:sc= -8.91! C(o=-8.9!,f=-9.8!) USER MOD ----------------------------------------------------------------- ATOM 123 N VAL A 28 -5.745 12.776 1.528 1.00 0.00 N ATOM 124 CA VAL A 28 -6.514 12.271 2.660 1.00 0.00 C ATOM 125 C VAL A 28 -7.095 10.898 2.339 1.00 0.00 C ATOM 126 O VAL A 28 -7.040 9.983 3.161 1.00 0.00 O ATOM 127 CB VAL A 28 -7.645 13.243 3.003 1.00 0.00 C ATOM 128 CG1 VAL A 28 -8.515 12.649 4.114 1.00 0.00 C ATOM 129 CG2 VAL A 28 -7.050 14.570 3.476 1.00 0.00 C ATOM 0 HA VAL A 28 -5.847 12.180 3.517 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.257 13.413 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -9.320 13.343 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.940 11.704 3.777 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.905 12.477 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.855 15.263 3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.437 14.399 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.433 14.995 2.684 1.00 0.00 H new ATOM 139 N ALA A 29 -7.655 10.764 1.142 1.00 0.00 N ATOM 140 CA ALA A 29 -8.247 9.496 0.732 1.00 0.00 C ATOM 141 C ALA A 29 -7.214 8.377 0.786 1.00 0.00 C ATOM 142 O ALA A 29 -7.465 7.319 1.359 1.00 0.00 O ATOM 143 CB ALA A 29 -8.797 9.607 -0.692 1.00 0.00 C ATOM 0 H ALA A 29 -7.712 11.508 0.446 1.00 0.00 H new ATOM 0 HA ALA A 29 -9.059 9.263 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.237 8.654 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.559 10.385 -0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.987 9.861 -1.376 1.00 0.00 H new ATOM 149 N ALA A 30 -6.053 8.615 0.187 1.00 0.00 N ATOM 150 CA ALA A 30 -4.998 7.609 0.168 1.00 0.00 C ATOM 151 C ALA A 30 -4.684 7.133 1.580 1.00 0.00 C ATOM 152 O ALA A 30 -4.440 5.949 1.804 1.00 0.00 O ATOM 153 CB ALA A 30 -3.736 8.191 -0.470 1.00 0.00 C ATOM 0 H ALA A 30 -5.819 9.487 -0.288 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.344 6.758 -0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.952 7.434 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.955 8.502 -1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.401 9.053 0.107 1.00 0.00 H new ATOM 159 N ASN A 31 -4.695 8.058 2.531 1.00 0.00 N ATOM 160 CA ASN A 31 -4.412 7.710 3.916 1.00 0.00 C ATOM 161 C ASN A 31 -5.474 6.757 4.460 1.00 0.00 C ATOM 162 O ASN A 31 -5.157 5.799 5.164 1.00 0.00 O ATOM 163 CB ASN A 31 -4.371 8.973 4.773 1.00 0.00 C ATOM 164 CG ASN A 31 -4.114 8.607 6.229 1.00 0.00 C ATOM 165 OD1 ASN A 31 -4.072 7.426 6.575 1.00 0.00 O ATOM 166 ND2 ASN A 31 -3.937 9.554 7.107 1.00 0.00 N ATOM 0 H ASN A 31 -4.895 9.045 2.371 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.443 7.213 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.588 9.641 4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.314 9.512 4.686 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.763 9.318 8.084 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.972 10.531 6.817 1.00 0.00 H new ATOM 173 N ILE A 32 -6.736 7.028 4.132 1.00 0.00 N ATOM 174 CA ILE A 32 -7.837 6.188 4.603 1.00 0.00 C ATOM 175 C ILE A 32 -7.718 4.775 4.037 1.00 0.00 C ATOM 176 O ILE A 32 -7.918 3.792 4.751 1.00 0.00 O ATOM 177 CB ILE A 32 -9.180 6.800 4.182 1.00 0.00 C ATOM 178 CG1 ILE A 32 -9.391 8.115 4.936 1.00 0.00 C ATOM 179 CG2 ILE A 32 -10.318 5.832 4.521 1.00 0.00 C ATOM 180 CD1 ILE A 32 -10.592 8.857 4.346 1.00 0.00 C ATOM 0 H ILE A 32 -7.021 7.814 3.548 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.787 6.135 5.691 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.174 6.986 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.558 7.916 5.995 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.497 8.734 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.270 6.270 4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.167 4.892 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.328 5.644 5.595 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.741 9.793 4.884 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.407 9.069 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.484 8.238 4.440 1.00 0.00 H new ATOM 192 N ILE A 33 -7.389 4.680 2.753 1.00 0.00 N ATOM 193 CA ILE A 33 -7.241 3.386 2.101 1.00 0.00 C ATOM 194 C ILE A 33 -6.143 2.568 2.781 1.00 0.00 C ATOM 195 O ILE A 33 -6.312 1.375 3.024 1.00 0.00 O ATOM 196 CB ILE A 33 -6.919 3.586 0.600 1.00 0.00 C ATOM 197 CG1 ILE A 33 -8.213 3.828 -0.210 1.00 0.00 C ATOM 198 CG2 ILE A 33 -6.192 2.353 0.039 1.00 0.00 C ATOM 199 CD1 ILE A 33 -8.693 5.265 -0.031 1.00 0.00 C ATOM 0 H ILE A 33 -7.220 5.482 2.146 1.00 0.00 H new ATOM 0 HA ILE A 33 -8.179 2.837 2.189 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.274 4.460 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.031 3.628 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.989 3.136 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.973 2.509 -1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.261 2.200 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.827 1.474 0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.605 5.419 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.895 5.452 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.923 5.952 -0.381 1.00 0.00 H new ATOM 211 N GLY A 34 -5.014 3.203 3.075 1.00 0.00 N ATOM 212 CA GLY A 34 -3.912 2.492 3.711 1.00 0.00 C ATOM 213 C GLY A 34 -4.369 1.822 5.004 1.00 0.00 C ATOM 214 O GLY A 34 -4.144 0.629 5.207 1.00 0.00 O ATOM 0 H GLY A 34 -4.839 4.190 2.887 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.516 1.741 3.028 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.100 3.188 3.924 1.00 0.00 H new ATOM 218 N ILE A 35 -5.007 2.592 5.873 1.00 0.00 N ATOM 219 CA ILE A 35 -5.487 2.054 7.140 1.00 0.00 C ATOM 220 C ILE A 35 -6.625 1.054 6.910 1.00 0.00 C ATOM 221 O ILE A 35 -6.673 0.002 7.546 1.00 0.00 O ATOM 222 CB ILE A 35 -5.978 3.189 8.042 1.00 0.00 C ATOM 223 CG1 ILE A 35 -4.893 4.275 8.161 1.00 0.00 C ATOM 224 CG2 ILE A 35 -6.306 2.635 9.433 1.00 0.00 C ATOM 225 CD1 ILE A 35 -3.560 3.664 8.596 1.00 0.00 C ATOM 0 H ILE A 35 -5.204 3.582 5.728 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.659 1.537 7.625 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.875 3.628 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.771 4.781 7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.205 5.030 8.883 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.655 3.444 10.074 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.085 1.877 9.348 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.411 2.189 9.867 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.808 4.449 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.681 3.180 9.565 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.240 2.927 7.860 1.00 0.00 H new ATOM 237 N LEU A 36 -7.547 1.399 6.010 1.00 0.00 N ATOM 238 CA LEU A 36 -8.688 0.527 5.727 1.00 0.00 C ATOM 239 C LEU A 36 -8.220 -0.817 5.184 1.00 0.00 C ATOM 240 O LEU A 36 -8.693 -1.870 5.616 1.00 0.00 O ATOM 241 CB LEU A 36 -9.606 1.191 4.692 1.00 0.00 C ATOM 242 CG LEU A 36 -10.804 0.282 4.369 1.00 0.00 C ATOM 243 CD1 LEU A 36 -11.601 -0.032 5.647 1.00 0.00 C ATOM 244 CD2 LEU A 36 -11.706 0.999 3.358 1.00 0.00 C ATOM 0 H LEU A 36 -7.528 2.265 5.471 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.231 0.365 6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.961 2.148 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -9.045 1.400 3.781 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.444 -0.658 3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.445 -0.676 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -10.955 -0.539 6.363 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.969 0.896 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.560 0.366 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -12.058 1.937 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.142 1.204 2.448 1.00 0.00 H new ATOM 256 N HIS A 37 -7.291 -0.778 4.240 1.00 0.00 N ATOM 257 CA HIS A 37 -6.775 -2.001 3.648 1.00 0.00 C ATOM 258 C HIS A 37 -6.158 -2.884 4.721 1.00 0.00 C ATOM 259 O HIS A 37 -6.314 -4.104 4.700 1.00 0.00 O ATOM 260 CB HIS A 37 -5.725 -1.675 2.587 1.00 0.00 C ATOM 261 CG HIS A 37 -5.228 -2.958 1.983 1.00 0.00 C ATOM 262 ND1 HIS A 37 -5.415 -3.263 0.650 1.00 0.00 N ATOM 263 CD2 HIS A 37 -4.566 -4.030 2.522 1.00 0.00 C ATOM 264 CE1 HIS A 37 -4.879 -4.476 0.432 1.00 0.00 C ATOM 265 NE2 HIS A 37 -4.347 -4.988 1.541 1.00 0.00 N ATOM 0 H HIS A 37 -6.882 0.081 3.871 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.603 -2.533 3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.155 -1.037 1.815 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.898 -1.123 3.033 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.261 -4.117 3.554 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.879 -4.975 -0.526 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.880 -5.889 1.647 1.00 0.00 H new ATOM 273 N LEU A 38 -5.449 -2.263 5.654 1.00 0.00 N ATOM 274 CA LEU A 38 -4.801 -3.009 6.724 1.00 0.00 C ATOM 275 C LEU A 38 -5.823 -3.757 7.568 1.00 0.00 C ATOM 276 O LEU A 38 -5.567 -4.878 7.989 1.00 0.00 O ATOM 277 CB LEU A 38 -3.973 -2.064 7.617 1.00 0.00 C ATOM 278 CG LEU A 38 -2.542 -1.910 7.075 1.00 0.00 C ATOM 279 CD1 LEU A 38 -1.865 -0.737 7.785 1.00 0.00 C ATOM 280 CD2 LEU A 38 -1.729 -3.198 7.329 1.00 0.00 C ATOM 0 H LEU A 38 -5.309 -1.253 5.692 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.134 -3.739 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.455 -1.088 7.665 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.941 -2.454 8.634 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.584 -1.727 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.849 -0.620 7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.429 0.176 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.833 -0.930 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.719 -3.073 6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.683 -3.394 8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.210 -4.037 6.827 1.00 0.00 H new ATOM 292 N ILE A 39 -6.964 -3.142 7.823 1.00 0.00 N ATOM 293 CA ILE A 39 -7.979 -3.794 8.636 1.00 0.00 C ATOM 294 C ILE A 39 -8.446 -5.081 7.955 1.00 0.00 C ATOM 295 O ILE A 39 -8.595 -6.117 8.602 1.00 0.00 O ATOM 296 CB ILE A 39 -9.164 -2.851 8.833 1.00 0.00 C ATOM 297 CG1 ILE A 39 -8.701 -1.639 9.644 1.00 0.00 C ATOM 298 CG2 ILE A 39 -10.271 -3.569 9.607 1.00 0.00 C ATOM 299 CD1 ILE A 39 -9.791 -0.568 9.634 1.00 0.00 C ATOM 0 H ILE A 39 -7.210 -2.211 7.487 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.553 -4.043 9.608 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.544 -2.535 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.480 -1.938 10.669 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.779 -1.238 9.223 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.115 -2.893 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.596 -4.446 9.047 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.891 -3.880 10.580 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.459 0.294 10.212 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.990 -0.261 8.607 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.702 -0.972 10.075 1.00 0.00 H new ATOM 311 N LEU A 40 -8.680 -5.012 6.649 1.00 0.00 N ATOM 312 CA LEU A 40 -9.122 -6.191 5.909 1.00 0.00 C ATOM 313 C LEU A 40 -7.976 -7.197 5.729 1.00 0.00 C ATOM 314 O LEU A 40 -8.165 -8.402 5.901 1.00 0.00 O ATOM 315 CB LEU A 40 -9.666 -5.763 4.536 1.00 0.00 C ATOM 316 CG LEU A 40 -11.114 -5.262 4.674 1.00 0.00 C ATOM 317 CD1 LEU A 40 -12.067 -6.429 5.012 1.00 0.00 C ATOM 318 CD2 LEU A 40 -11.178 -4.202 5.781 1.00 0.00 C ATOM 0 H LEU A 40 -8.574 -4.167 6.087 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.911 -6.680 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.039 -4.976 4.117 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.628 -6.604 3.843 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.429 -4.827 3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.085 -6.052 5.105 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.027 -7.173 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.762 -6.887 5.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.202 -3.844 5.883 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.852 -4.641 6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.526 -3.368 5.524 1.00 0.00 H new ATOM 330 N TRP A 41 -6.794 -6.698 5.372 1.00 0.00 N ATOM 331 CA TRP A 41 -5.639 -7.565 5.157 1.00 0.00 C ATOM 332 C TRP A 41 -5.163 -8.202 6.463 1.00 0.00 C ATOM 333 O TRP A 41 -4.898 -9.404 6.517 1.00 0.00 O ATOM 334 CB TRP A 41 -4.507 -6.766 4.501 1.00 0.00 C ATOM 335 CG TRP A 41 -3.267 -7.599 4.432 1.00 0.00 C ATOM 336 CD1 TRP A 41 -2.994 -8.511 3.470 1.00 0.00 C ATOM 337 CD2 TRP A 41 -2.109 -7.579 5.317 1.00 0.00 C ATOM 338 NE1 TRP A 41 -1.763 -9.080 3.732 1.00 0.00 N ATOM 339 CE2 TRP A 41 -1.177 -8.533 4.852 1.00 0.00 C ATOM 340 CE3 TRP A 41 -1.786 -6.840 6.469 1.00 0.00 C ATOM 341 CZ2 TRP A 41 0.031 -8.748 5.508 1.00 0.00 C ATOM 342 CZ3 TRP A 41 -0.563 -7.052 7.125 1.00 0.00 C ATOM 343 CH2 TRP A 41 0.341 -8.003 6.644 1.00 0.00 C ATOM 0 H TRP A 41 -6.612 -5.705 5.227 1.00 0.00 H new ATOM 0 HA TRP A 41 -5.939 -8.375 4.492 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -4.803 -6.456 3.499 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.314 -5.858 5.072 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.634 -8.754 2.635 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.340 -9.815 3.166 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.481 -6.107 6.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.725 -9.489 5.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.319 -6.477 8.006 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.280 -8.161 7.153 1.00 0.00 H new ATOM 354 N ILE A 42 -5.052 -7.395 7.510 1.00 0.00 N ATOM 355 CA ILE A 42 -4.602 -7.897 8.801 1.00 0.00 C ATOM 356 C ILE A 42 -5.615 -8.898 9.360 1.00 0.00 C ATOM 357 O ILE A 42 -5.246 -9.868 10.022 1.00 0.00 O ATOM 358 CB ILE A 42 -4.411 -6.729 9.792 1.00 0.00 C ATOM 359 CG1 ILE A 42 -3.558 -7.194 10.995 1.00 0.00 C ATOM 360 CG2 ILE A 42 -5.781 -6.235 10.294 1.00 0.00 C ATOM 361 CD1 ILE A 42 -2.066 -7.045 10.673 1.00 0.00 C ATOM 0 H ILE A 42 -5.266 -6.398 7.491 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.646 -8.402 8.664 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.900 -5.913 9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.808 -6.605 11.877 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.785 -8.234 11.231 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.637 -5.411 10.993 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.377 -5.893 9.448 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.300 -7.051 10.797 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.475 -7.375 11.527 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.819 -7.654 9.803 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.842 -6.000 10.459 1.00 0.00 H new ATOM 373 N LEU A 43 -6.895 -8.653 9.092 1.00 0.00 N ATOM 374 CA LEU A 43 -7.943 -9.539 9.577 1.00 0.00 C ATOM 375 C LEU A 43 -7.756 -10.940 9.006 1.00 0.00 C ATOM 376 O LEU A 43 -7.892 -11.931 9.720 1.00 0.00 O ATOM 377 CB LEU A 43 -9.319 -8.994 9.173 1.00 0.00 C ATOM 378 CG LEU A 43 -10.432 -9.965 9.604 1.00 0.00 C ATOM 379 CD1 LEU A 43 -10.352 -10.230 11.115 1.00 0.00 C ATOM 380 CD2 LEU A 43 -11.790 -9.350 9.259 1.00 0.00 C ATOM 0 H LEU A 43 -7.227 -7.857 8.548 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.882 -9.589 10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.480 -8.019 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.355 -8.846 8.094 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.309 -10.912 9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.145 -10.919 11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.384 -10.669 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -10.470 -9.291 11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.585 -10.031 9.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -11.905 -8.403 9.786 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.849 -9.177 8.184 1.00 0.00 H new ATOM 633 N VAL B 28 -0.258 11.775 -7.541 1.00 0.00 N ATOM 634 CA VAL B 28 -1.453 11.279 -8.214 1.00 0.00 C ATOM 635 C VAL B 28 -1.285 9.811 -8.588 1.00 0.00 C ATOM 636 O VAL B 28 -2.191 9.002 -8.391 1.00 0.00 O ATOM 637 CB VAL B 28 -1.724 12.104 -9.475 1.00 0.00 C ATOM 638 CG1 VAL B 28 -2.912 11.506 -10.235 1.00 0.00 C ATOM 639 CG2 VAL B 28 -2.045 13.547 -9.079 1.00 0.00 C ATOM 0 HA VAL B 28 -2.298 11.374 -7.532 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.842 12.089 -10.115 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.103 12.095 -11.132 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.683 10.478 -10.517 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.796 11.519 -9.597 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.238 14.136 -9.976 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.927 13.561 -8.439 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.199 13.973 -8.540 1.00 0.00 H new ATOM 649 N ALA B 29 -0.121 9.473 -9.133 1.00 0.00 N ATOM 650 CA ALA B 29 0.147 8.097 -9.533 1.00 0.00 C ATOM 651 C ALA B 29 0.010 7.154 -8.346 1.00 0.00 C ATOM 652 O ALA B 29 -0.674 6.136 -8.431 1.00 0.00 O ATOM 653 CB ALA B 29 1.561 7.983 -10.111 1.00 0.00 C ATOM 0 H ALA B 29 0.644 10.125 -9.306 1.00 0.00 H new ATOM 0 HA ALA B 29 -0.582 7.816 -10.293 1.00 0.00 H new ATOM 0 HB1 ALA B 29 1.751 6.951 -10.407 1.00 0.00 H new ATOM 0 HB2 ALA B 29 1.652 8.633 -10.982 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.288 8.284 -9.357 1.00 0.00 H new ATOM 659 N ALA B 30 0.658 7.498 -7.241 1.00 0.00 N ATOM 660 CA ALA B 30 0.604 6.664 -6.048 1.00 0.00 C ATOM 661 C ALA B 30 -0.839 6.385 -5.652 1.00 0.00 C ATOM 662 O ALA B 30 -1.173 5.279 -5.230 1.00 0.00 O ATOM 663 CB ALA B 30 1.330 7.359 -4.894 1.00 0.00 C ATOM 0 H ALA B 30 1.223 8.342 -7.146 1.00 0.00 H new ATOM 0 HA ALA B 30 1.095 5.716 -6.267 1.00 0.00 H new ATOM 0 HB1 ALA B 30 1.286 6.730 -4.005 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.371 7.527 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA B 30 0.850 8.315 -4.686 1.00 0.00 H new ATOM 669 N ASN B 31 -1.693 7.390 -5.791 1.00 0.00 N ATOM 670 CA ASN B 31 -3.099 7.229 -5.443 1.00 0.00 C ATOM 671 C ASN B 31 -3.763 6.190 -6.346 1.00 0.00 C ATOM 672 O ASN B 31 -4.549 5.367 -5.882 1.00 0.00 O ATOM 673 CB ASN B 31 -3.826 8.567 -5.582 1.00 0.00 C ATOM 674 CG ASN B 31 -5.304 8.392 -5.258 1.00 0.00 C ATOM 675 OD1 ASN B 31 -5.763 7.272 -5.030 1.00 0.00 O ATOM 676 ND2 ASN B 31 -6.082 9.439 -5.220 1.00 0.00 N ATOM 0 H ASN B 31 -1.441 8.316 -6.138 1.00 0.00 H new ATOM 0 HA ASN B 31 -3.161 6.886 -4.410 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -3.383 9.303 -4.911 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -3.710 8.950 -6.596 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -7.072 9.331 -5.001 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -5.700 10.366 -5.409 1.00 0.00 H new ATOM 683 N ILE B 32 -3.443 6.237 -7.638 1.00 0.00 N ATOM 684 CA ILE B 32 -4.019 5.297 -8.599 1.00 0.00 C ATOM 685 C ILE B 32 -3.594 3.868 -8.277 1.00 0.00 C ATOM 686 O ILE B 32 -4.406 2.943 -8.324 1.00 0.00 O ATOM 687 CB ILE B 32 -3.576 5.659 -10.021 1.00 0.00 C ATOM 688 CG1 ILE B 32 -4.203 6.999 -10.419 1.00 0.00 C ATOM 689 CG2 ILE B 32 -4.034 4.574 -11.001 1.00 0.00 C ATOM 690 CD1 ILE B 32 -3.571 7.494 -11.721 1.00 0.00 C ATOM 0 H ILE B 32 -2.793 6.911 -8.042 1.00 0.00 H new ATOM 0 HA ILE B 32 -5.105 5.362 -8.532 1.00 0.00 H new ATOM 0 HB ILE B 32 -2.489 5.735 -10.052 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -5.280 6.885 -10.546 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -4.051 7.733 -9.627 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -3.716 4.837 -12.010 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -3.592 3.619 -10.719 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -5.121 4.493 -10.973 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -4.018 8.447 -12.003 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -2.498 7.624 -11.578 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -3.746 6.764 -12.511 1.00 0.00 H new ATOM 702 N ILE B 33 -2.318 3.691 -7.949 1.00 0.00 N ATOM 703 CA ILE B 33 -1.795 2.372 -7.620 1.00 0.00 C ATOM 704 C ILE B 33 -2.523 1.798 -6.403 1.00 0.00 C ATOM 705 O ILE B 33 -2.889 0.625 -6.393 1.00 0.00 O ATOM 706 CB ILE B 33 -0.272 2.460 -7.346 1.00 0.00 C ATOM 707 CG1 ILE B 33 0.519 2.429 -8.672 1.00 0.00 C ATOM 708 CG2 ILE B 33 0.182 1.293 -6.458 1.00 0.00 C ATOM 709 CD1 ILE B 33 0.476 3.794 -9.355 1.00 0.00 C ATOM 0 H ILE B 33 -1.630 4.443 -7.904 1.00 0.00 H new ATOM 0 HA ILE B 33 -1.963 1.706 -8.467 1.00 0.00 H new ATOM 0 HB ILE B 33 -0.076 3.401 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE B 33 1.554 2.146 -8.478 1.00 0.00 H new ATOM 0 HG13 ILE B 33 0.100 1.671 -9.334 1.00 0.00 H new ATOM 0 HG21 ILE B 33 1.254 1.370 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE B 33 -0.351 1.330 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE B 33 -0.034 0.349 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE B 33 1.039 3.752 -10.288 1.00 0.00 H new ATOM 0 HD12 ILE B 33 -0.559 4.062 -9.568 1.00 0.00 H new ATOM 0 HD13 ILE B 33 0.917 4.544 -8.698 1.00 0.00 H new ATOM 721 N GLY B 34 -2.726 2.618 -5.381 1.00 0.00 N ATOM 722 CA GLY B 34 -3.403 2.146 -4.178 1.00 0.00 C ATOM 723 C GLY B 34 -4.765 1.552 -4.518 1.00 0.00 C ATOM 724 O GLY B 34 -5.079 0.431 -4.116 1.00 0.00 O ATOM 0 H GLY B 34 -2.438 3.596 -5.358 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -2.788 1.396 -3.681 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -3.527 2.972 -3.478 1.00 0.00 H new ATOM 728 N ILE B 35 -5.571 2.303 -5.257 1.00 0.00 N ATOM 729 CA ILE B 35 -6.895 1.830 -5.641 1.00 0.00 C ATOM 730 C ILE B 35 -6.792 0.659 -6.618 1.00 0.00 C ATOM 731 O ILE B 35 -7.531 -0.319 -6.502 1.00 0.00 O ATOM 732 CB ILE B 35 -7.694 2.969 -6.285 1.00 0.00 C ATOM 733 CG1 ILE B 35 -7.675 4.208 -5.375 1.00 0.00 C ATOM 734 CG2 ILE B 35 -9.141 2.516 -6.513 1.00 0.00 C ATOM 735 CD1 ILE B 35 -8.131 3.846 -3.961 1.00 0.00 C ATOM 0 H ILE B 35 -5.335 3.234 -5.600 1.00 0.00 H new ATOM 0 HA ILE B 35 -7.409 1.490 -4.742 1.00 0.00 H new ATOM 0 HB ILE B 35 -7.239 3.227 -7.242 1.00 0.00 H new ATOM 0 HG12 ILE B 35 -6.669 4.626 -5.342 1.00 0.00 H new ATOM 0 HG13 ILE B 35 -8.327 4.978 -5.787 1.00 0.00 H new ATOM 0 HG21 ILE B 35 -9.708 3.326 -6.971 1.00 0.00 H new ATOM 0 HG22 ILE B 35 -9.151 1.648 -7.173 1.00 0.00 H new ATOM 0 HG23 ILE B 35 -9.594 2.251 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE B 35 -8.110 4.737 -3.333 1.00 0.00 H new ATOM 0 HD12 ILE B 35 -9.146 3.450 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE B 35 -7.462 3.093 -3.545 1.00 0.00 H new ATOM 747 N LEU B 36 -5.887 0.771 -7.589 1.00 0.00 N ATOM 748 CA LEU B 36 -5.718 -0.285 -8.589 1.00 0.00 C ATOM 749 C LEU B 36 -5.301 -1.593 -7.931 1.00 0.00 C ATOM 750 O LEU B 36 -5.846 -2.654 -8.236 1.00 0.00 O ATOM 751 CB LEU B 36 -4.646 0.128 -9.606 1.00 0.00 C ATOM 752 CG LEU B 36 -4.442 -0.975 -10.658 1.00 0.00 C ATOM 753 CD1 LEU B 36 -5.764 -1.275 -11.385 1.00 0.00 C ATOM 754 CD2 LEU B 36 -3.389 -0.504 -11.666 1.00 0.00 C ATOM 0 H LEU B 36 -5.266 1.572 -7.705 1.00 0.00 H new ATOM 0 HA LEU B 36 -6.673 -0.431 -9.093 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.941 1.055 -10.097 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -3.706 0.325 -9.091 1.00 0.00 H new ATOM 0 HG LEU B 36 -4.107 -1.888 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.602 -2.058 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -6.509 -1.608 -10.662 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.119 -0.372 -11.882 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.234 -1.277 -12.419 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -3.732 0.410 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.450 -0.309 -11.147 1.00 0.00 H new ATOM 766 N HIS B 37 -4.335 -1.509 -7.029 1.00 0.00 N ATOM 767 CA HIS B 37 -3.852 -2.696 -6.341 1.00 0.00 C ATOM 768 C HIS B 37 -4.993 -3.367 -5.590 1.00 0.00 C ATOM 769 O HIS B 37 -5.096 -4.592 -5.565 1.00 0.00 O ATOM 770 CB HIS B 37 -2.742 -2.327 -5.361 1.00 0.00 C ATOM 771 CG HIS B 37 -2.250 -3.576 -4.688 1.00 0.00 C ATOM 772 ND1 HIS B 37 -0.957 -4.032 -4.841 1.00 0.00 N ATOM 773 CD2 HIS B 37 -2.873 -4.483 -3.871 1.00 0.00 C ATOM 774 CE1 HIS B 37 -0.842 -5.170 -4.132 1.00 0.00 C ATOM 775 NE2 HIS B 37 -1.982 -5.488 -3.520 1.00 0.00 N ATOM 0 H HIS B 37 -3.874 -0.640 -6.758 1.00 0.00 H new ATOM 0 HA HIS B 37 -3.455 -3.388 -7.084 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.924 -1.835 -5.887 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -3.114 -1.621 -4.619 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -3.902 -4.425 -3.549 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.064 -5.754 -4.067 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -2.161 -6.295 -2.923 1.00 0.00 H new ATOM 783 N LEU B 38 -5.844 -2.558 -4.972 1.00 0.00 N ATOM 784 CA LEU B 38 -6.967 -3.091 -4.211 1.00 0.00 C ATOM 785 C LEU B 38 -7.903 -3.891 -5.101 1.00 0.00 C ATOM 786 O LEU B 38 -8.428 -4.915 -4.678 1.00 0.00 O ATOM 787 CB LEU B 38 -7.744 -1.949 -3.527 1.00 0.00 C ATOM 788 CG LEU B 38 -7.158 -1.639 -2.141 1.00 0.00 C ATOM 789 CD1 LEU B 38 -7.732 -0.312 -1.644 1.00 0.00 C ATOM 790 CD2 LEU B 38 -7.525 -2.758 -1.141 1.00 0.00 C ATOM 0 H LEU B 38 -5.780 -1.540 -4.982 1.00 0.00 H new ATOM 0 HA LEU B 38 -6.565 -3.757 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -7.707 -1.055 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -8.794 -2.226 -3.429 1.00 0.00 H new ATOM 0 HG LEU B 38 -6.073 -1.576 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -7.322 -0.084 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -7.467 0.483 -2.341 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -8.817 -0.388 -1.576 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -7.103 -2.525 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -8.609 -2.832 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -7.122 -3.707 -1.493 1.00 0.00 H new ATOM 802 N ILE B 39 -8.126 -3.428 -6.317 1.00 0.00 N ATOM 803 CA ILE B 39 -9.023 -4.134 -7.216 1.00 0.00 C ATOM 804 C ILE B 39 -8.486 -5.538 -7.492 1.00 0.00 C ATOM 805 O ILE B 39 -9.236 -6.513 -7.481 1.00 0.00 O ATOM 806 CB ILE B 39 -9.156 -3.360 -8.526 1.00 0.00 C ATOM 807 CG1 ILE B 39 -9.831 -2.019 -8.240 1.00 0.00 C ATOM 808 CG2 ILE B 39 -10.024 -4.153 -9.507 1.00 0.00 C ATOM 809 CD1 ILE B 39 -9.743 -1.124 -9.477 1.00 0.00 C ATOM 0 H ILE B 39 -7.707 -2.581 -6.701 1.00 0.00 H new ATOM 0 HA ILE B 39 -10.004 -4.216 -6.749 1.00 0.00 H new ATOM 0 HB ILE B 39 -8.168 -3.202 -8.959 1.00 0.00 H new ATOM 0 HG12 ILE B 39 -10.874 -2.177 -7.967 1.00 0.00 H new ATOM 0 HG13 ILE B 39 -9.350 -1.532 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE B 39 -10.117 -3.598 -10.441 1.00 0.00 H new ATOM 0 HG22 ILE B 39 -9.560 -5.120 -9.704 1.00 0.00 H new ATOM 0 HG23 ILE B 39 -11.013 -4.306 -9.076 1.00 0.00 H new ATOM 0 HD11 ILE B 39 -10.225 -0.169 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE B 39 -8.696 -0.955 -9.730 1.00 0.00 H new ATOM 0 HD13 ILE B 39 -10.245 -1.610 -10.314 1.00 0.00 H new ATOM 821 N LEU B 40 -7.186 -5.639 -7.745 1.00 0.00 N ATOM 822 CA LEU B 40 -6.576 -6.938 -8.013 1.00 0.00 C ATOM 823 C LEU B 40 -6.468 -7.777 -6.732 1.00 0.00 C ATOM 824 O LEU B 40 -6.762 -8.974 -6.736 1.00 0.00 O ATOM 825 CB LEU B 40 -5.182 -6.736 -8.629 1.00 0.00 C ATOM 826 CG LEU B 40 -5.305 -6.443 -10.133 1.00 0.00 C ATOM 827 CD1 LEU B 40 -5.781 -7.697 -10.895 1.00 0.00 C ATOM 828 CD2 LEU B 40 -6.302 -5.298 -10.344 1.00 0.00 C ATOM 0 H LEU B 40 -6.541 -4.849 -7.770 1.00 0.00 H new ATOM 0 HA LEU B 40 -7.212 -7.478 -8.715 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.672 -5.912 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.575 -7.627 -8.473 1.00 0.00 H new ATOM 0 HG LEU B 40 -4.326 -6.157 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -5.862 -7.468 -11.958 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -5.063 -8.505 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -6.755 -8.005 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.393 -5.086 -11.409 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.276 -5.585 -9.947 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -5.948 -4.407 -9.826 1.00 0.00 H new ATOM 840 N TRP B 41 -6.033 -7.148 -5.639 1.00 0.00 N ATOM 841 CA TRP B 41 -5.876 -7.856 -4.370 1.00 0.00 C ATOM 842 C TRP B 41 -7.226 -8.277 -3.793 1.00 0.00 C ATOM 843 O TRP B 41 -7.391 -9.417 -3.353 1.00 0.00 O ATOM 844 CB TRP B 41 -5.117 -6.965 -3.377 1.00 0.00 C ATOM 845 CG TRP B 41 -5.103 -7.606 -2.025 1.00 0.00 C ATOM 846 CD1 TRP B 41 -4.226 -8.557 -1.623 1.00 0.00 C ATOM 847 CD2 TRP B 41 -5.955 -7.327 -0.877 1.00 0.00 C ATOM 848 NE1 TRP B 41 -4.515 -8.905 -0.317 1.00 0.00 N ATOM 849 CE2 TRP B 41 -5.565 -8.169 0.187 1.00 0.00 C ATOM 850 CE3 TRP B 41 -7.025 -6.439 -0.659 1.00 0.00 C ATOM 851 CZ2 TRP B 41 -6.211 -8.135 1.420 1.00 0.00 C ATOM 852 CZ3 TRP B 41 -7.672 -6.397 0.586 1.00 0.00 C ATOM 853 CH2 TRP B 41 -7.264 -7.245 1.621 1.00 0.00 C ATOM 0 H TRP B 41 -5.785 -6.159 -5.607 1.00 0.00 H new ATOM 0 HA TRP B 41 -5.303 -8.766 -4.550 1.00 0.00 H new ATOM 0 HB2 TRP B 41 -4.096 -6.806 -3.724 1.00 0.00 H new ATOM 0 HB3 TRP B 41 -5.590 -5.985 -3.319 1.00 0.00 H new ATOM 0 HD1 TRP B 41 -3.432 -8.975 -2.224 1.00 0.00 H new ATOM 0 HE1 TRP B 41 -4.012 -9.620 0.209 1.00 0.00 H new ATOM 0 HE3 TRP B 41 -7.350 -5.786 -1.455 1.00 0.00 H new ATOM 0 HZ2 TRP B 41 -5.898 -8.795 2.216 1.00 0.00 H new ATOM 0 HZ3 TRP B 41 -8.488 -5.707 0.745 1.00 0.00 H new ATOM 0 HH2 TRP B 41 -7.766 -7.210 2.577 1.00 0.00 H new ATOM 864 N ILE B 42 -8.184 -7.362 -3.794 1.00 0.00 N ATOM 865 CA ILE B 42 -9.510 -7.658 -3.262 1.00 0.00 C ATOM 866 C ILE B 42 -10.188 -8.736 -4.107 1.00 0.00 C ATOM 867 O ILE B 42 -10.933 -9.569 -3.591 1.00 0.00 O ATOM 868 CB ILE B 42 -10.374 -6.380 -3.240 1.00 0.00 C ATOM 869 CG1 ILE B 42 -11.596 -6.589 -2.313 1.00 0.00 C ATOM 870 CG2 ILE B 42 -10.860 -6.047 -4.663 1.00 0.00 C ATOM 871 CD1 ILE B 42 -11.224 -6.255 -0.865 1.00 0.00 C ATOM 0 H ILE B 42 -8.072 -6.414 -4.154 1.00 0.00 H new ATOM 0 HA ILE B 42 -9.403 -8.026 -2.242 1.00 0.00 H new ATOM 0 HB ILE B 42 -9.771 -5.553 -2.864 1.00 0.00 H new ATOM 0 HG12 ILE B 42 -12.422 -5.957 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE B 42 -11.940 -7.621 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE B 42 -11.469 -5.143 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE B 42 -10.000 -5.886 -5.313 1.00 0.00 H new ATOM 0 HG23 ILE B 42 -11.456 -6.875 -5.047 1.00 0.00 H new ATOM 0 HD11 ILE B 42 -12.091 -6.406 -0.222 1.00 0.00 H new ATOM 0 HD12 ILE B 42 -10.413 -6.906 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE B 42 -10.903 -5.215 -0.802 1.00 0.00 H new ATOM 883 N LEU B 43 -9.929 -8.710 -5.411 1.00 0.00 N ATOM 884 CA LEU B 43 -10.526 -9.687 -6.311 1.00 0.00 C ATOM 885 C LEU B 43 -10.093 -11.095 -5.926 1.00 0.00 C ATOM 886 O LEU B 43 -10.905 -12.018 -5.905 1.00 0.00 O ATOM 887 CB LEU B 43 -10.105 -9.393 -7.758 1.00 0.00 C ATOM 888 CG LEU B 43 -10.657 -10.469 -8.709 1.00 0.00 C ATOM 889 CD1 LEU B 43 -12.186 -10.561 -8.578 1.00 0.00 C ATOM 890 CD2 LEU B 43 -10.285 -10.099 -10.148 1.00 0.00 C ATOM 0 H LEU B 43 -9.317 -8.031 -5.863 1.00 0.00 H new ATOM 0 HA LEU B 43 -11.611 -9.617 -6.231 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.472 -8.411 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.018 -9.361 -7.827 1.00 0.00 H new ATOM 0 HG LEU B 43 -10.226 -11.436 -8.450 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -12.564 -11.326 -9.256 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -12.448 -10.823 -7.553 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -12.631 -9.599 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -10.672 -10.856 -10.830 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.718 -9.130 -10.398 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -9.200 -10.047 -10.241 1.00 0.00 H new ATOM 1143 N VAL C 28 8.669 10.802 -2.216 1.00 0.00 N ATOM 1144 CA VAL C 28 9.281 10.056 -3.308 1.00 0.00 C ATOM 1145 C VAL C 28 9.513 8.606 -2.898 1.00 0.00 C ATOM 1146 O VAL C 28 9.235 7.683 -3.662 1.00 0.00 O ATOM 1147 CB VAL C 28 10.613 10.699 -3.700 1.00 0.00 C ATOM 1148 CG1 VAL C 28 11.302 9.844 -4.769 1.00 0.00 C ATOM 1149 CG2 VAL C 28 10.356 12.101 -4.257 1.00 0.00 C ATOM 0 HA VAL C 28 8.605 10.077 -4.163 1.00 0.00 H new ATOM 0 HB VAL C 28 11.255 10.767 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL C 28 12.250 10.304 -5.047 1.00 0.00 H new ATOM 0 HG12 VAL C 28 11.485 8.845 -4.374 1.00 0.00 H new ATOM 0 HG13 VAL C 28 10.661 9.775 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL C 28 11.304 12.561 -4.537 1.00 0.00 H new ATOM 0 HG22 VAL C 28 9.713 12.032 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL C 28 9.868 12.711 -3.497 1.00 0.00 H new ATOM 1159 N ALA C 29 10.032 8.413 -1.689 1.00 0.00 N ATOM 1160 CA ALA C 29 10.301 7.068 -1.196 1.00 0.00 C ATOM 1161 C ALA C 29 9.027 6.233 -1.188 1.00 0.00 C ATOM 1162 O ALA C 29 9.008 5.114 -1.695 1.00 0.00 O ATOM 1163 CB ALA C 29 10.872 7.132 0.222 1.00 0.00 C ATOM 0 H ALA C 29 10.272 9.162 -1.040 1.00 0.00 H new ATOM 0 HA ALA C 29 11.027 6.601 -1.862 1.00 0.00 H new ATOM 0 HB1 ALA C 29 11.069 6.122 0.581 1.00 0.00 H new ATOM 0 HB2 ALA C 29 11.801 7.702 0.215 1.00 0.00 H new ATOM 0 HB3 ALA C 29 10.153 7.617 0.882 1.00 0.00 H new ATOM 1169 N ALA C 30 7.965 6.783 -0.614 1.00 0.00 N ATOM 1170 CA ALA C 30 6.697 6.066 -0.540 1.00 0.00 C ATOM 1171 C ALA C 30 6.265 5.596 -1.921 1.00 0.00 C ATOM 1172 O ALA C 30 5.737 4.496 -2.074 1.00 0.00 O ATOM 1173 CB ALA C 30 5.620 6.977 0.053 1.00 0.00 C ATOM 0 H ALA C 30 7.954 7.714 -0.197 1.00 0.00 H new ATOM 0 HA ALA C 30 6.830 5.194 0.100 1.00 0.00 H new ATOM 0 HB1 ALA C 30 4.675 6.436 0.106 1.00 0.00 H new ATOM 0 HB2 ALA C 30 5.917 7.287 1.055 1.00 0.00 H new ATOM 0 HB3 ALA C 30 5.500 7.857 -0.579 1.00 0.00 H new ATOM 1179 N ASN C 31 6.493 6.431 -2.927 1.00 0.00 N ATOM 1180 CA ASN C 31 6.121 6.076 -4.290 1.00 0.00 C ATOM 1181 C ASN C 31 6.917 4.863 -4.768 1.00 0.00 C ATOM 1182 O ASN C 31 6.370 3.970 -5.414 1.00 0.00 O ATOM 1183 CB ASN C 31 6.382 7.257 -5.224 1.00 0.00 C ATOM 1184 CG ASN C 31 6.034 6.874 -6.657 1.00 0.00 C ATOM 1185 OD1 ASN C 31 5.701 5.720 -6.929 1.00 0.00 O ATOM 1186 ND2 ASN C 31 6.089 7.779 -7.595 1.00 0.00 N ATOM 0 H ASN C 31 6.928 7.348 -2.827 1.00 0.00 H new ATOM 0 HA ASN C 31 5.060 5.827 -4.303 1.00 0.00 H new ATOM 0 HB2 ASN C 31 5.787 8.116 -4.913 1.00 0.00 H new ATOM 0 HB3 ASN C 31 7.428 7.556 -5.162 1.00 0.00 H new ATOM 0 HD21 ASN C 31 5.856 7.532 -8.557 1.00 0.00 H new ATOM 0 HD22 ASN C 31 6.365 8.734 -7.367 1.00 0.00 H new ATOM 1193 N ILE C 32 8.208 4.837 -4.448 1.00 0.00 N ATOM 1194 CA ILE C 32 9.070 3.728 -4.855 1.00 0.00 C ATOM 1195 C ILE C 32 8.613 2.424 -4.207 1.00 0.00 C ATOM 1196 O ILE C 32 8.569 1.378 -4.858 1.00 0.00 O ATOM 1197 CB ILE C 32 10.523 4.018 -4.466 1.00 0.00 C ATOM 1198 CG1 ILE C 32 11.043 5.193 -5.298 1.00 0.00 C ATOM 1199 CG2 ILE C 32 11.390 2.783 -4.736 1.00 0.00 C ATOM 1200 CD1 ILE C 32 12.394 5.656 -4.745 1.00 0.00 C ATOM 0 H ILE C 32 8.679 5.565 -3.912 1.00 0.00 H new ATOM 0 HA ILE C 32 9.003 3.623 -5.938 1.00 0.00 H new ATOM 0 HB ILE C 32 10.570 4.266 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.149 4.895 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE C 32 10.327 6.015 -5.272 1.00 0.00 H new ATOM 0 HG21 ILE C 32 12.422 2.995 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE C 32 11.021 1.943 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE C 32 11.345 2.531 -5.796 1.00 0.00 H new ATOM 0 HD11 ILE C 32 12.763 6.493 -5.339 1.00 0.00 H new ATOM 0 HD12 ILE C 32 12.274 5.971 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE C 32 13.108 4.834 -4.794 1.00 0.00 H new ATOM 1212 N ILE C 33 8.280 2.492 -2.923 1.00 0.00 N ATOM 1213 CA ILE C 33 7.831 1.313 -2.193 1.00 0.00 C ATOM 1214 C ILE C 33 6.561 0.747 -2.828 1.00 0.00 C ATOM 1215 O ILE C 33 6.436 -0.465 -2.997 1.00 0.00 O ATOM 1216 CB ILE C 33 7.579 1.677 -0.710 1.00 0.00 C ATOM 1217 CG1 ILE C 33 8.903 1.648 0.089 1.00 0.00 C ATOM 1218 CG2 ILE C 33 6.586 0.693 -0.076 1.00 0.00 C ATOM 1219 CD1 ILE C 33 9.714 2.915 -0.174 1.00 0.00 C ATOM 0 H ILE C 33 8.312 3.347 -2.368 1.00 0.00 H new ATOM 0 HA ILE C 33 8.608 0.550 -2.241 1.00 0.00 H new ATOM 0 HB ILE C 33 7.161 2.683 -0.678 1.00 0.00 H new ATOM 0 HG12 ILE C 33 8.690 1.560 1.154 1.00 0.00 H new ATOM 0 HG13 ILE C 33 9.486 0.771 -0.193 1.00 0.00 H new ATOM 0 HG21 ILE C 33 6.421 0.964 0.967 1.00 0.00 H new ATOM 0 HG22 ILE C 33 5.640 0.733 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE C 33 6.991 -0.317 -0.128 1.00 0.00 H new ATOM 0 HD11 ILE C 33 10.642 2.878 0.396 1.00 0.00 H new ATOM 0 HD12 ILE C 33 9.944 2.986 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE C 33 9.136 3.787 0.131 1.00 0.00 H new ATOM 1231 N GLY C 34 5.619 1.615 -3.169 1.00 0.00 N ATOM 1232 CA GLY C 34 4.371 1.154 -3.766 1.00 0.00 C ATOM 1233 C GLY C 34 4.641 0.318 -5.011 1.00 0.00 C ATOM 1234 O GLY C 34 4.133 -0.795 -5.142 1.00 0.00 O ATOM 0 H GLY C 34 5.691 2.625 -3.046 1.00 0.00 H new ATOM 0 HA2 GLY C 34 3.812 0.563 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY C 34 3.749 2.011 -4.026 1.00 0.00 H new ATOM 1238 N ILE C 35 5.444 0.853 -5.923 1.00 0.00 N ATOM 1239 CA ILE C 35 5.769 0.137 -7.151 1.00 0.00 C ATOM 1240 C ILE C 35 6.632 -1.091 -6.850 1.00 0.00 C ATOM 1241 O ILE C 35 6.417 -2.162 -7.419 1.00 0.00 O ATOM 1242 CB ILE C 35 6.517 1.062 -8.116 1.00 0.00 C ATOM 1243 CG1 ILE C 35 5.729 2.371 -8.312 1.00 0.00 C ATOM 1244 CG2 ILE C 35 6.690 0.360 -9.467 1.00 0.00 C ATOM 1245 CD1 ILE C 35 4.284 2.074 -8.713 1.00 0.00 C ATOM 0 H ILE C 35 5.879 1.772 -5.837 1.00 0.00 H new ATOM 0 HA ILE C 35 4.837 -0.192 -7.610 1.00 0.00 H new ATOM 0 HB ILE C 35 7.496 1.296 -7.698 1.00 0.00 H new ATOM 0 HG12 ILE C 35 5.744 2.952 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.208 2.979 -9.080 1.00 0.00 H new ATOM 0 HG21 ILE C 35 7.222 1.018 -10.154 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.261 -0.559 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE C 35 5.710 0.120 -9.880 1.00 0.00 H new ATOM 0 HD11 ILE C 35 3.744 3.011 -8.847 1.00 0.00 H new ATOM 0 HD12 ILE C 35 4.274 1.513 -9.647 1.00 0.00 H new ATOM 0 HD13 ILE C 35 3.803 1.486 -7.931 1.00 0.00 H new ATOM 1257 N LEU C 36 7.616 -0.926 -5.966 1.00 0.00 N ATOM 1258 CA LEU C 36 8.512 -2.030 -5.621 1.00 0.00 C ATOM 1259 C LEU C 36 7.734 -3.183 -5.000 1.00 0.00 C ATOM 1260 O LEU C 36 7.930 -4.344 -5.364 1.00 0.00 O ATOM 1261 CB LEU C 36 9.573 -1.546 -4.624 1.00 0.00 C ATOM 1262 CG LEU C 36 10.516 -2.697 -4.234 1.00 0.00 C ATOM 1263 CD1 LEU C 36 11.199 -3.280 -5.484 1.00 0.00 C ATOM 1264 CD2 LEU C 36 11.574 -2.159 -3.266 1.00 0.00 C ATOM 0 H LEU C 36 7.812 -0.050 -5.481 1.00 0.00 H new ATOM 0 HA LEU C 36 8.992 -2.378 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU C 36 10.148 -0.731 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU C 36 9.088 -1.149 -3.733 1.00 0.00 H new ATOM 0 HG LEU C 36 9.942 -3.491 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU C 36 11.863 -4.093 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU C 36 10.441 -3.660 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU C 36 11.778 -2.500 -5.979 1.00 0.00 H new ATOM 0 HD21 LEU C 36 12.250 -2.965 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU C 36 12.141 -1.365 -3.751 1.00 0.00 H new ATOM 0 HD23 LEU C 36 11.085 -1.764 -2.376 1.00 0.00 H new ATOM 1276 N HIS C 37 6.851 -2.859 -4.067 1.00 0.00 N ATOM 1277 CA HIS C 37 6.057 -3.879 -3.404 1.00 0.00 C ATOM 1278 C HIS C 37 5.235 -4.651 -4.425 1.00 0.00 C ATOM 1279 O HIS C 37 5.091 -5.870 -4.327 1.00 0.00 O ATOM 1280 CB HIS C 37 5.125 -3.242 -2.378 1.00 0.00 C ATOM 1281 CG HIS C 37 4.339 -4.324 -1.693 1.00 0.00 C ATOM 1282 ND1 HIS C 37 4.457 -4.576 -0.340 1.00 0.00 N ATOM 1283 CD2 HIS C 37 3.432 -5.238 -2.165 1.00 0.00 C ATOM 1284 CE1 HIS C 37 3.645 -5.605 -0.046 1.00 0.00 C ATOM 1285 NE2 HIS C 37 2.996 -6.047 -1.124 1.00 0.00 N ATOM 0 H HIS C 37 6.668 -1.905 -3.755 1.00 0.00 H new ATOM 0 HA HIS C 37 6.734 -4.565 -2.895 1.00 0.00 H new ATOM 0 HB2 HIS C 37 5.701 -2.675 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS C 37 4.451 -2.539 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS C 37 3.106 -5.317 -3.192 1.00 0.00 H new ATOM 0 HE1 HIS C 37 3.532 -6.023 0.943 1.00 0.00 H new ATOM 0 HE2 HIS C 37 2.325 -6.813 -1.173 1.00 0.00 H new ATOM 1293 N LEU C 38 4.690 -3.938 -5.402 1.00 0.00 N ATOM 1294 CA LEU C 38 3.873 -4.570 -6.429 1.00 0.00 C ATOM 1295 C LEU C 38 4.675 -5.595 -7.215 1.00 0.00 C ATOM 1296 O LEU C 38 4.152 -6.643 -7.569 1.00 0.00 O ATOM 1297 CB LEU C 38 3.292 -3.510 -7.387 1.00 0.00 C ATOM 1298 CG LEU C 38 1.948 -2.977 -6.866 1.00 0.00 C ATOM 1299 CD1 LEU C 38 1.574 -1.719 -7.652 1.00 0.00 C ATOM 1300 CD2 LEU C 38 0.842 -4.039 -7.049 1.00 0.00 C ATOM 0 H LEU C 38 4.798 -2.929 -5.505 1.00 0.00 H new ATOM 0 HA LEU C 38 3.052 -5.085 -5.930 1.00 0.00 H new ATOM 0 HB2 LEU C 38 3.997 -2.686 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU C 38 3.156 -3.945 -8.377 1.00 0.00 H new ATOM 0 HG LEU C 38 2.042 -2.745 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU C 38 0.621 -1.333 -7.289 1.00 0.00 H new ATOM 0 HD12 LEU C 38 2.347 -0.962 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU C 38 1.487 -1.964 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU C 38 -0.104 -3.647 -6.675 1.00 0.00 H new ATOM 0 HD22 LEU C 38 0.742 -4.282 -8.107 1.00 0.00 H new ATOM 0 HD23 LEU C 38 1.106 -4.939 -6.494 1.00 0.00 H new ATOM 1312 N ILE C 39 5.930 -5.293 -7.501 1.00 0.00 N ATOM 1313 CA ILE C 39 6.749 -6.220 -8.263 1.00 0.00 C ATOM 1314 C ILE C 39 6.894 -7.538 -7.501 1.00 0.00 C ATOM 1315 O ILE C 39 6.781 -8.616 -8.081 1.00 0.00 O ATOM 1316 CB ILE C 39 8.125 -5.608 -8.510 1.00 0.00 C ATOM 1317 CG1 ILE C 39 7.965 -4.372 -9.399 1.00 0.00 C ATOM 1318 CG2 ILE C 39 9.019 -6.620 -9.230 1.00 0.00 C ATOM 1319 CD1 ILE C 39 9.281 -3.599 -9.447 1.00 0.00 C ATOM 0 H ILE C 39 6.397 -4.430 -7.223 1.00 0.00 H new ATOM 0 HA ILE C 39 6.268 -6.417 -9.221 1.00 0.00 H new ATOM 0 HB ILE C 39 8.577 -5.335 -7.557 1.00 0.00 H new ATOM 0 HG12 ILE C 39 7.671 -4.671 -10.405 1.00 0.00 H new ATOM 0 HG13 ILE C 39 7.171 -3.734 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE C 39 10.000 -6.179 -9.404 1.00 0.00 H new ATOM 0 HG22 ILE C 39 9.127 -7.513 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE C 39 8.568 -6.890 -10.185 1.00 0.00 H new ATOM 0 HD11 ILE C 39 9.164 -2.720 -10.081 1.00 0.00 H new ATOM 0 HD12 ILE C 39 9.556 -3.286 -8.440 1.00 0.00 H new ATOM 0 HD13 ILE C 39 10.064 -4.238 -9.855 1.00 0.00 H new ATOM 1331 N LEU C 40 7.146 -7.447 -6.200 1.00 0.00 N ATOM 1332 CA LEU C 40 7.294 -8.649 -5.383 1.00 0.00 C ATOM 1333 C LEU C 40 5.940 -9.332 -5.151 1.00 0.00 C ATOM 1334 O LEU C 40 5.827 -10.557 -5.246 1.00 0.00 O ATOM 1335 CB LEU C 40 7.937 -8.284 -4.037 1.00 0.00 C ATOM 1336 CG LEU C 40 9.462 -8.159 -4.194 1.00 0.00 C ATOM 1337 CD1 LEU C 40 10.098 -9.543 -4.452 1.00 0.00 C ATOM 1338 CD2 LEU C 40 9.773 -7.218 -5.365 1.00 0.00 C ATOM 0 H LEU C 40 7.251 -6.568 -5.693 1.00 0.00 H new ATOM 0 HA LEU C 40 7.937 -9.349 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU C 40 7.523 -7.344 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU C 40 7.702 -9.047 -3.294 1.00 0.00 H new ATOM 0 HG LEU C 40 9.881 -7.754 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU C 40 11.177 -9.433 -4.560 1.00 0.00 H new ATOM 0 HD12 LEU C 40 9.883 -10.204 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU C 40 9.683 -9.969 -5.365 1.00 0.00 H new ATOM 0 HD21 LEU C 40 10.853 -7.126 -5.481 1.00 0.00 H new ATOM 0 HD22 LEU C 40 9.343 -7.623 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU C 40 9.344 -6.236 -5.166 1.00 0.00 H new ATOM 1350 N TRP C 41 4.916 -8.540 -4.834 1.00 0.00 N ATOM 1351 CA TRP C 41 3.586 -9.085 -4.575 1.00 0.00 C ATOM 1352 C TRP C 41 2.959 -9.666 -5.841 1.00 0.00 C ATOM 1353 O TRP C 41 2.410 -10.769 -5.823 1.00 0.00 O ATOM 1354 CB TRP C 41 2.686 -7.994 -3.979 1.00 0.00 C ATOM 1355 CG TRP C 41 1.280 -8.494 -3.868 1.00 0.00 C ATOM 1356 CD1 TRP C 41 0.800 -9.246 -2.851 1.00 0.00 C ATOM 1357 CD2 TRP C 41 0.155 -8.246 -4.760 1.00 0.00 C ATOM 1358 NE1 TRP C 41 -0.535 -9.510 -3.085 1.00 0.00 N ATOM 1359 CE2 TRP C 41 -0.980 -8.909 -4.243 1.00 0.00 C ATOM 1360 CE3 TRP C 41 0.013 -7.527 -5.959 1.00 0.00 C ATOM 1361 CZ2 TRP C 41 -2.210 -8.861 -4.893 1.00 0.00 C ATOM 1362 CZ3 TRP C 41 -1.230 -7.471 -6.611 1.00 0.00 C ATOM 1363 CH2 TRP C 41 -2.337 -8.137 -6.078 1.00 0.00 C ATOM 0 H TRP C 41 4.982 -7.526 -4.751 1.00 0.00 H new ATOM 0 HA TRP C 41 3.686 -9.901 -3.859 1.00 0.00 H new ATOM 0 HB2 TRP C 41 3.056 -7.703 -2.996 1.00 0.00 H new ATOM 0 HB3 TRP C 41 2.715 -7.104 -4.607 1.00 0.00 H new ATOM 0 HD1 TRP C 41 1.368 -9.584 -1.997 1.00 0.00 H new ATOM 0 HE1 TRP C 41 -1.121 -10.080 -2.475 1.00 0.00 H new ATOM 0 HE3 TRP C 41 0.864 -7.014 -6.382 1.00 0.00 H new ATOM 0 HZ2 TRP C 41 -3.062 -9.382 -4.482 1.00 0.00 H new ATOM 0 HZ3 TRP C 41 -1.331 -6.911 -7.529 1.00 0.00 H new ATOM 0 HH2 TRP C 41 -3.290 -8.091 -6.584 1.00 0.00 H new ATOM 1374 N ILE C 42 3.041 -8.922 -6.937 1.00 0.00 N ATOM 1375 CA ILE C 42 2.474 -9.380 -8.200 1.00 0.00 C ATOM 1376 C ILE C 42 3.207 -10.629 -8.686 1.00 0.00 C ATOM 1377 O ILE C 42 2.608 -11.519 -9.290 1.00 0.00 O ATOM 1378 CB ILE C 42 2.564 -8.265 -9.261 1.00 0.00 C ATOM 1379 CG1 ILE C 42 1.615 -8.580 -10.441 1.00 0.00 C ATOM 1380 CG2 ILE C 42 4.010 -8.148 -9.782 1.00 0.00 C ATOM 1381 CD1 ILE C 42 0.207 -8.053 -10.141 1.00 0.00 C ATOM 0 H ILE C 42 3.490 -8.007 -6.978 1.00 0.00 H new ATOM 0 HA ILE C 42 1.425 -9.629 -8.041 1.00 0.00 H new ATOM 0 HB ILE C 42 2.269 -7.321 -8.803 1.00 0.00 H new ATOM 0 HG12 ILE C 42 1.995 -8.124 -11.355 1.00 0.00 H new ATOM 0 HG13 ILE C 42 1.580 -9.656 -10.612 1.00 0.00 H new ATOM 0 HG21 ILE C 42 4.064 -7.358 -10.531 1.00 0.00 H new ATOM 0 HG22 ILE C 42 4.677 -7.909 -8.954 1.00 0.00 H new ATOM 0 HG23 ILE C 42 4.313 -9.094 -10.230 1.00 0.00 H new ATOM 0 HD11 ILE C 42 -0.453 -8.280 -10.978 1.00 0.00 H new ATOM 0 HD12 ILE C 42 -0.175 -8.530 -9.238 1.00 0.00 H new ATOM 0 HD13 ILE C 42 0.246 -6.974 -9.993 1.00 0.00 H new ATOM 1393 N LEU C 43 4.508 -10.687 -8.424 1.00 0.00 N ATOM 1394 CA LEU C 43 5.307 -11.830 -8.846 1.00 0.00 C ATOM 1395 C LEU C 43 4.789 -13.105 -8.191 1.00 0.00 C ATOM 1396 O LEU C 43 4.672 -14.143 -8.842 1.00 0.00 O ATOM 1397 CB LEU C 43 6.778 -11.613 -8.465 1.00 0.00 C ATOM 1398 CG LEU C 43 7.617 -12.849 -8.824 1.00 0.00 C ATOM 1399 CD1 LEU C 43 7.465 -13.178 -10.319 1.00 0.00 C ATOM 1400 CD2 LEU C 43 9.088 -12.562 -8.508 1.00 0.00 C ATOM 0 H LEU C 43 5.027 -9.964 -7.926 1.00 0.00 H new ATOM 0 HA LEU C 43 5.229 -11.930 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU C 43 7.169 -10.738 -8.985 1.00 0.00 H new ATOM 0 HB3 LEU C 43 6.857 -11.411 -7.397 1.00 0.00 H new ATOM 0 HG LEU C 43 7.271 -13.702 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU C 43 8.064 -14.056 -10.561 1.00 0.00 H new ATOM 0 HD12 LEU C 43 6.418 -13.381 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU C 43 7.805 -12.331 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU C 43 9.691 -13.434 -8.760 1.00 0.00 H new ATOM 0 HD22 LEU C 43 9.426 -11.706 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU C 43 9.196 -12.341 -7.446 1.00 0.00 H new ATOM 1653 N VAL D 28 3.351 11.788 6.813 1.00 0.00 N ATOM 1654 CA VAL D 28 4.384 11.050 7.530 1.00 0.00 C ATOM 1655 C VAL D 28 3.848 9.699 7.994 1.00 0.00 C ATOM 1656 O VAL D 28 4.520 8.676 7.863 1.00 0.00 O ATOM 1657 CB VAL D 28 4.860 11.857 8.742 1.00 0.00 C ATOM 1658 CG1 VAL D 28 5.858 11.027 9.551 1.00 0.00 C ATOM 1659 CG2 VAL D 28 5.534 13.143 8.261 1.00 0.00 C ATOM 0 HA VAL D 28 5.223 10.885 6.854 1.00 0.00 H new ATOM 0 HB VAL D 28 4.006 12.107 9.372 1.00 0.00 H new ATOM 0 HG11 VAL D 28 6.196 11.603 10.413 1.00 0.00 H new ATOM 0 HG12 VAL D 28 5.377 10.111 9.893 1.00 0.00 H new ATOM 0 HG13 VAL D 28 6.714 10.775 8.925 1.00 0.00 H new ATOM 0 HG21 VAL D 28 5.874 13.719 9.121 1.00 0.00 H new ATOM 0 HG22 VAL D 28 6.388 12.893 7.632 1.00 0.00 H new ATOM 0 HG23 VAL D 28 4.821 13.735 7.687 1.00 0.00 H new ATOM 1669 N ALA D 29 2.638 9.703 8.544 1.00 0.00 N ATOM 1670 CA ALA D 29 2.033 8.468 9.026 1.00 0.00 C ATOM 1671 C ALA D 29 1.924 7.446 7.902 1.00 0.00 C ATOM 1672 O ALA D 29 2.327 6.296 8.061 1.00 0.00 O ATOM 1673 CB ALA D 29 0.637 8.751 9.587 1.00 0.00 C ATOM 0 H ALA D 29 2.064 10.537 8.666 1.00 0.00 H new ATOM 0 HA ALA D 29 2.670 8.063 9.813 1.00 0.00 H new ATOM 0 HB1 ALA D 29 0.193 7.822 9.945 1.00 0.00 H new ATOM 0 HB2 ALA D 29 0.713 9.458 10.413 1.00 0.00 H new ATOM 0 HB3 ALA D 29 0.009 9.175 8.803 1.00 0.00 H new ATOM 1679 N ALA D 30 1.382 7.871 6.770 1.00 0.00 N ATOM 1680 CA ALA D 30 1.221 6.974 5.632 1.00 0.00 C ATOM 1681 C ALA D 30 2.545 6.314 5.274 1.00 0.00 C ATOM 1682 O ALA D 30 2.587 5.134 4.928 1.00 0.00 O ATOM 1683 CB ALA D 30 0.692 7.753 4.426 1.00 0.00 C ATOM 0 H ALA D 30 1.049 8.822 6.614 1.00 0.00 H new ATOM 0 HA ALA D 30 0.507 6.197 5.905 1.00 0.00 H new ATOM 0 HB1 ALA D 30 0.574 7.077 3.579 1.00 0.00 H new ATOM 0 HB2 ALA D 30 -0.273 8.196 4.674 1.00 0.00 H new ATOM 0 HB3 ALA D 30 1.397 8.542 4.165 1.00 0.00 H new ATOM 1689 N ASN D 31 3.626 7.078 5.360 1.00 0.00 N ATOM 1690 CA ASN D 31 4.942 6.545 5.045 1.00 0.00 C ATOM 1691 C ASN D 31 5.324 5.433 6.020 1.00 0.00 C ATOM 1692 O ASN D 31 5.873 4.410 5.620 1.00 0.00 O ATOM 1693 CB ASN D 31 5.985 7.661 5.109 1.00 0.00 C ATOM 1694 CG ASN D 31 7.371 7.097 4.817 1.00 0.00 C ATOM 1695 OD1 ASN D 31 7.530 5.885 4.669 1.00 0.00 O ATOM 1696 ND2 ASN D 31 8.387 7.908 4.722 1.00 0.00 N ATOM 0 H ASN D 31 3.618 8.058 5.642 1.00 0.00 H new ATOM 0 HA ASN D 31 4.911 6.131 4.037 1.00 0.00 H new ATOM 0 HB2 ASN D 31 5.741 8.440 4.387 1.00 0.00 H new ATOM 0 HB3 ASN D 31 5.973 8.125 6.095 1.00 0.00 H new ATOM 0 HD21 ASN D 31 9.317 7.539 4.524 1.00 0.00 H new ATOM 0 HD22 ASN D 31 8.252 8.911 4.845 1.00 0.00 H new ATOM 1703 N ILE D 32 5.028 5.644 7.299 1.00 0.00 N ATOM 1704 CA ILE D 32 5.350 4.652 8.327 1.00 0.00 C ATOM 1705 C ILE D 32 4.576 3.356 8.088 1.00 0.00 C ATOM 1706 O ILE D 32 5.128 2.264 8.205 1.00 0.00 O ATOM 1707 CB ILE D 32 5.017 5.206 9.716 1.00 0.00 C ATOM 1708 CG1 ILE D 32 5.964 6.364 10.038 1.00 0.00 C ATOM 1709 CG2 ILE D 32 5.189 4.103 10.768 1.00 0.00 C ATOM 1710 CD1 ILE D 32 5.482 7.087 11.298 1.00 0.00 C ATOM 0 H ILE D 32 4.569 6.485 7.649 1.00 0.00 H new ATOM 0 HA ILE D 32 6.417 4.436 8.272 1.00 0.00 H new ATOM 0 HB ILE D 32 3.986 5.558 9.727 1.00 0.00 H new ATOM 0 HG12 ILE D 32 6.976 5.988 10.187 1.00 0.00 H new ATOM 0 HG13 ILE D 32 6.002 7.060 9.200 1.00 0.00 H new ATOM 0 HG21 ILE D 32 4.951 4.501 11.755 1.00 0.00 H new ATOM 0 HG22 ILE D 32 4.518 3.275 10.540 1.00 0.00 H new ATOM 0 HG23 ILE D 32 6.220 3.749 10.758 1.00 0.00 H new ATOM 0 HD11 ILE D 32 6.158 7.911 11.526 1.00 0.00 H new ATOM 0 HD12 ILE D 32 4.478 7.476 11.132 1.00 0.00 H new ATOM 0 HD13 ILE D 32 5.467 6.389 12.135 1.00 0.00 H new ATOM 1722 N ILE D 33 3.296 3.490 7.755 1.00 0.00 N ATOM 1723 CA ILE D 33 2.453 2.326 7.503 1.00 0.00 C ATOM 1724 C ILE D 33 3.010 1.509 6.336 1.00 0.00 C ATOM 1725 O ILE D 33 3.068 0.284 6.406 1.00 0.00 O ATOM 1726 CB ILE D 33 1.001 2.779 7.203 1.00 0.00 C ATOM 1727 CG1 ILE D 33 0.228 3.036 8.515 1.00 0.00 C ATOM 1728 CG2 ILE D 33 0.263 1.708 6.384 1.00 0.00 C ATOM 1729 CD1 ILE D 33 0.621 4.386 9.111 1.00 0.00 C ATOM 0 H ILE D 33 2.822 4.387 7.654 1.00 0.00 H new ATOM 0 HA ILE D 33 2.447 1.695 8.392 1.00 0.00 H new ATOM 0 HB ILE D 33 1.051 3.704 6.629 1.00 0.00 H new ATOM 0 HG12 ILE D 33 -0.845 3.015 8.322 1.00 0.00 H new ATOM 0 HG13 ILE D 33 0.439 2.241 9.230 1.00 0.00 H new ATOM 0 HG21 ILE D 33 -0.755 2.042 6.182 1.00 0.00 H new ATOM 0 HG22 ILE D 33 0.786 1.547 5.441 1.00 0.00 H new ATOM 0 HG23 ILE D 33 0.234 0.775 6.947 1.00 0.00 H new ATOM 0 HD11 ILE D 33 0.067 4.551 10.035 1.00 0.00 H new ATOM 0 HD12 ILE D 33 1.690 4.393 9.323 1.00 0.00 H new ATOM 0 HD13 ILE D 33 0.387 5.179 8.401 1.00 0.00 H new ATOM 1741 N GLY D 34 3.412 2.184 5.267 1.00 0.00 N ATOM 1742 CA GLY D 34 3.945 1.480 4.105 1.00 0.00 C ATOM 1743 C GLY D 34 5.115 0.583 4.502 1.00 0.00 C ATOM 1744 O GLY D 34 5.135 -0.602 4.175 1.00 0.00 O ATOM 0 H GLY D 34 3.381 3.200 5.179 1.00 0.00 H new ATOM 0 HA2 GLY D 34 3.160 0.879 3.647 1.00 0.00 H new ATOM 0 HA3 GLY D 34 4.272 2.201 3.356 1.00 0.00 H new ATOM 1748 N ILE D 35 6.087 1.154 5.202 1.00 0.00 N ATOM 1749 CA ILE D 35 7.250 0.387 5.633 1.00 0.00 C ATOM 1750 C ILE D 35 6.857 -0.655 6.681 1.00 0.00 C ATOM 1751 O ILE D 35 7.323 -1.791 6.638 1.00 0.00 O ATOM 1752 CB ILE D 35 8.310 1.326 6.218 1.00 0.00 C ATOM 1753 CG1 ILE D 35 8.608 2.468 5.231 1.00 0.00 C ATOM 1754 CG2 ILE D 35 9.596 0.537 6.493 1.00 0.00 C ATOM 1755 CD1 ILE D 35 8.950 1.913 3.849 1.00 0.00 C ATOM 0 H ILE D 35 6.095 2.135 5.481 1.00 0.00 H new ATOM 0 HA ILE D 35 7.659 -0.128 4.764 1.00 0.00 H new ATOM 0 HB ILE D 35 7.935 1.751 7.149 1.00 0.00 H new ATOM 0 HG12 ILE D 35 7.744 3.128 5.159 1.00 0.00 H new ATOM 0 HG13 ILE D 35 9.438 3.069 5.603 1.00 0.00 H new ATOM 0 HG21 ILE D 35 10.350 1.205 6.909 1.00 0.00 H new ATOM 0 HG22 ILE D 35 9.387 -0.263 7.204 1.00 0.00 H new ATOM 0 HG23 ILE D 35 9.966 0.108 5.562 1.00 0.00 H new ATOM 0 HD11 ILE D 35 9.157 2.738 3.167 1.00 0.00 H new ATOM 0 HD12 ILE D 35 9.829 1.272 3.921 1.00 0.00 H new ATOM 0 HD13 ILE D 35 8.108 1.333 3.471 1.00 0.00 H new ATOM 1767 N LEU D 36 6.009 -0.255 7.629 1.00 0.00 N ATOM 1768 CA LEU D 36 5.583 -1.166 8.693 1.00 0.00 C ATOM 1769 C LEU D 36 4.846 -2.366 8.112 1.00 0.00 C ATOM 1770 O LEU D 36 5.106 -3.509 8.490 1.00 0.00 O ATOM 1771 CB LEU D 36 4.655 -0.432 9.667 1.00 0.00 C ATOM 1772 CG LEU D 36 4.179 -1.378 10.782 1.00 0.00 C ATOM 1773 CD1 LEU D 36 5.385 -1.956 11.544 1.00 0.00 C ATOM 1774 CD2 LEU D 36 3.285 -0.594 11.747 1.00 0.00 C ATOM 0 H LEU D 36 5.608 0.681 7.683 1.00 0.00 H new ATOM 0 HA LEU D 36 6.472 -1.515 9.219 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.178 0.419 10.104 1.00 0.00 H new ATOM 0 HB3 LEU D 36 3.795 -0.035 9.128 1.00 0.00 H new ATOM 0 HG LEU D 36 3.620 -2.204 10.342 1.00 0.00 H new ATOM 0 HD11 LEU D 36 5.033 -2.624 12.330 1.00 0.00 H new ATOM 0 HD12 LEU D 36 6.019 -2.512 10.853 1.00 0.00 H new ATOM 0 HD13 LEU D 36 5.958 -1.143 11.989 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.941 -1.255 12.543 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.852 0.230 12.180 1.00 0.00 H new ATOM 0 HD23 LEU D 36 2.425 -0.199 11.206 1.00 0.00 H new ATOM 1786 N HIS D 37 3.929 -2.100 7.193 1.00 0.00 N ATOM 1787 CA HIS D 37 3.160 -3.166 6.575 1.00 0.00 C ATOM 1788 C HIS D 37 4.092 -4.152 5.882 1.00 0.00 C ATOM 1789 O HIS D 37 3.880 -5.363 5.936 1.00 0.00 O ATOM 1790 CB HIS D 37 2.181 -2.594 5.556 1.00 0.00 C ATOM 1791 CG HIS D 37 1.384 -3.717 4.959 1.00 0.00 C ATOM 1792 ND1 HIS D 37 0.016 -3.817 5.119 1.00 0.00 N ATOM 1793 CD2 HIS D 37 1.753 -4.803 4.209 1.00 0.00 C ATOM 1794 CE1 HIS D 37 -0.385 -4.930 4.482 1.00 0.00 C ATOM 1795 NE2 HIS D 37 0.634 -5.568 3.909 1.00 0.00 N ATOM 0 H HIS D 37 3.702 -1.162 6.862 1.00 0.00 H new ATOM 0 HA HIS D 37 2.602 -3.683 7.356 1.00 0.00 H new ATOM 0 HB2 HIS D 37 1.517 -1.874 6.035 1.00 0.00 H new ATOM 0 HB3 HIS D 37 2.721 -2.059 4.775 1.00 0.00 H new ATOM 0 HD2 HIS D 37 2.762 -5.030 3.898 1.00 0.00 H new ATOM 0 HE1 HIS D 37 -1.410 -5.267 4.440 1.00 0.00 H new ATOM 0 HE2 HIS D 37 0.600 -6.432 3.367 1.00 0.00 H new ATOM 1803 N LEU D 38 5.120 -3.627 5.226 1.00 0.00 N ATOM 1804 CA LEU D 38 6.069 -4.474 4.514 1.00 0.00 C ATOM 1805 C LEU D 38 6.776 -5.425 5.467 1.00 0.00 C ATOM 1806 O LEU D 38 7.024 -6.573 5.114 1.00 0.00 O ATOM 1807 CB LEU D 38 7.109 -3.612 3.768 1.00 0.00 C ATOM 1808 CG LEU D 38 6.613 -3.253 2.359 1.00 0.00 C ATOM 1809 CD1 LEU D 38 7.504 -2.150 1.786 1.00 0.00 C ATOM 1810 CD2 LEU D 38 6.678 -4.491 1.435 1.00 0.00 C ATOM 0 H LEU D 38 5.317 -2.628 5.172 1.00 0.00 H new ATOM 0 HA LEU D 38 5.509 -5.064 3.789 1.00 0.00 H new ATOM 0 HB2 LEU D 38 7.304 -2.700 4.333 1.00 0.00 H new ATOM 0 HB3 LEU D 38 8.053 -4.152 3.699 1.00 0.00 H new ATOM 0 HG LEU D 38 5.580 -2.911 2.419 1.00 0.00 H new ATOM 0 HD11 LEU D 38 7.160 -1.888 0.785 1.00 0.00 H new ATOM 0 HD12 LEU D 38 7.454 -1.271 2.429 1.00 0.00 H new ATOM 0 HD13 LEU D 38 8.534 -2.504 1.735 1.00 0.00 H new ATOM 0 HD21 LEU D 38 6.324 -4.221 0.440 1.00 0.00 H new ATOM 0 HD22 LEU D 38 7.708 -4.843 1.370 1.00 0.00 H new ATOM 0 HD23 LEU D 38 6.049 -5.282 1.842 1.00 0.00 H new ATOM 1822 N ILE D 39 7.113 -4.956 6.655 1.00 0.00 N ATOM 1823 CA ILE D 39 7.806 -5.808 7.607 1.00 0.00 C ATOM 1824 C ILE D 39 6.931 -7.010 7.966 1.00 0.00 C ATOM 1825 O ILE D 39 7.410 -8.141 8.024 1.00 0.00 O ATOM 1826 CB ILE D 39 8.135 -5.010 8.867 1.00 0.00 C ATOM 1827 CG1 ILE D 39 9.125 -3.903 8.505 1.00 0.00 C ATOM 1828 CG2 ILE D 39 8.778 -5.928 9.908 1.00 0.00 C ATOM 1829 CD1 ILE D 39 9.269 -2.937 9.682 1.00 0.00 C ATOM 0 H ILE D 39 6.923 -4.008 6.981 1.00 0.00 H new ATOM 0 HA ILE D 39 8.732 -6.167 7.157 1.00 0.00 H new ATOM 0 HB ILE D 39 7.220 -4.582 9.276 1.00 0.00 H new ATOM 0 HG12 ILE D 39 10.094 -4.335 8.256 1.00 0.00 H new ATOM 0 HG13 ILE D 39 8.779 -3.366 7.622 1.00 0.00 H new ATOM 0 HG21 ILE D 39 9.011 -5.354 10.805 1.00 0.00 H new ATOM 0 HG22 ILE D 39 8.087 -6.732 10.161 1.00 0.00 H new ATOM 0 HG23 ILE D 39 9.695 -6.353 9.501 1.00 0.00 H new ATOM 0 HD11 ILE D 39 9.975 -2.149 9.421 1.00 0.00 H new ATOM 0 HD12 ILE D 39 8.299 -2.494 9.910 1.00 0.00 H new ATOM 0 HD13 ILE D 39 9.635 -3.478 10.554 1.00 0.00 H new ATOM 1841 N LEU D 40 5.650 -6.761 8.208 1.00 0.00 N ATOM 1842 CA LEU D 40 4.733 -7.844 8.550 1.00 0.00 C ATOM 1843 C LEU D 40 4.411 -8.710 7.323 1.00 0.00 C ATOM 1844 O LEU D 40 4.393 -9.937 7.407 1.00 0.00 O ATOM 1845 CB LEU D 40 3.437 -7.259 9.136 1.00 0.00 C ATOM 1846 CG LEU D 40 3.637 -6.908 10.618 1.00 0.00 C ATOM 1847 CD1 LEU D 40 3.780 -8.190 11.466 1.00 0.00 C ATOM 1848 CD2 LEU D 40 4.891 -6.041 10.768 1.00 0.00 C ATOM 0 H LEU D 40 5.226 -5.834 8.175 1.00 0.00 H new ATOM 0 HA LEU D 40 5.216 -8.480 9.292 1.00 0.00 H new ATOM 0 HB2 LEU D 40 3.147 -6.368 8.579 1.00 0.00 H new ATOM 0 HB3 LEU D 40 2.625 -7.978 9.031 1.00 0.00 H new ATOM 0 HG LEU D 40 2.765 -6.358 10.972 1.00 0.00 H new ATOM 0 HD11 LEU D 40 3.921 -7.920 12.513 1.00 0.00 H new ATOM 0 HD12 LEU D 40 2.879 -8.795 11.365 1.00 0.00 H new ATOM 0 HD13 LEU D 40 4.641 -8.761 11.120 1.00 0.00 H new ATOM 0 HD21 LEU D 40 5.036 -5.790 11.819 1.00 0.00 H new ATOM 0 HD22 LEU D 40 5.759 -6.590 10.403 1.00 0.00 H new ATOM 0 HD23 LEU D 40 4.771 -5.125 10.189 1.00 0.00 H new ATOM 1860 N TRP D 41 4.148 -8.063 6.186 1.00 0.00 N ATOM 1861 CA TRP D 41 3.814 -8.788 4.963 1.00 0.00 C ATOM 1862 C TRP D 41 5.012 -9.574 4.431 1.00 0.00 C ATOM 1863 O TRP D 41 4.882 -10.742 4.065 1.00 0.00 O ATOM 1864 CB TRP D 41 3.301 -7.803 3.904 1.00 0.00 C ATOM 1865 CG TRP D 41 3.119 -8.505 2.596 1.00 0.00 C ATOM 1866 CD1 TRP D 41 2.033 -9.230 2.246 1.00 0.00 C ATOM 1867 CD2 TRP D 41 4.009 -8.523 1.443 1.00 0.00 C ATOM 1868 NE1 TRP D 41 2.217 -9.722 0.967 1.00 0.00 N ATOM 1869 CE2 TRP D 41 3.416 -9.307 0.430 1.00 0.00 C ATOM 1870 CE3 TRP D 41 5.266 -7.948 1.183 1.00 0.00 C ATOM 1871 CZ2 TRP D 41 4.043 -9.516 -0.794 1.00 0.00 C ATOM 1872 CZ3 TRP D 41 5.897 -8.152 -0.055 1.00 0.00 C ATOM 1873 CH2 TRP D 41 5.288 -8.934 -1.039 1.00 0.00 C ATOM 0 H TRP D 41 4.160 -7.048 6.088 1.00 0.00 H new ATOM 0 HA TRP D 41 3.030 -9.509 5.195 1.00 0.00 H new ATOM 0 HB2 TRP D 41 2.355 -7.369 4.228 1.00 0.00 H new ATOM 0 HB3 TRP D 41 4.007 -6.980 3.789 1.00 0.00 H new ATOM 0 HD1 TRP D 41 1.164 -9.398 2.864 1.00 0.00 H new ATOM 0 HE1 TRP D 41 1.548 -10.319 0.481 1.00 0.00 H new ATOM 0 HE3 TRP D 41 5.748 -7.347 1.939 1.00 0.00 H new ATOM 0 HZ2 TRP D 41 3.570 -10.125 -1.550 1.00 0.00 H new ATOM 0 HZ3 TRP D 41 6.859 -7.701 -0.247 1.00 0.00 H new ATOM 0 HH2 TRP D 41 5.780 -9.088 -1.988 1.00 0.00 H new ATOM 1884 N ILE D 42 6.171 -8.930 4.385 1.00 0.00 N ATOM 1885 CA ILE D 42 7.375 -9.586 3.890 1.00 0.00 C ATOM 1886 C ILE D 42 7.763 -10.741 4.812 1.00 0.00 C ATOM 1887 O ILE D 42 8.273 -11.768 4.358 1.00 0.00 O ATOM 1888 CB ILE D 42 8.532 -8.572 3.797 1.00 0.00 C ATOM 1889 CG1 ILE D 42 9.661 -9.143 2.906 1.00 0.00 C ATOM 1890 CG2 ILE D 42 9.090 -8.277 5.204 1.00 0.00 C ATOM 1891 CD1 ILE D 42 9.382 -8.821 1.433 1.00 0.00 C ATOM 0 H ILE D 42 6.303 -7.963 4.681 1.00 0.00 H new ATOM 0 HA ILE D 42 7.174 -9.983 2.895 1.00 0.00 H new ATOM 0 HB ILE D 42 8.155 -7.648 3.358 1.00 0.00 H new ATOM 0 HG12 ILE D 42 10.620 -8.719 3.204 1.00 0.00 H new ATOM 0 HG13 ILE D 42 9.733 -10.222 3.043 1.00 0.00 H new ATOM 0 HG21 ILE D 42 9.907 -7.560 5.128 1.00 0.00 H new ATOM 0 HG22 ILE D 42 8.299 -7.862 5.829 1.00 0.00 H new ATOM 0 HG23 ILE D 42 9.458 -9.201 5.650 1.00 0.00 H new ATOM 0 HD11 ILE D 42 10.182 -9.227 0.814 1.00 0.00 H new ATOM 0 HD12 ILE D 42 8.432 -9.267 1.137 1.00 0.00 H new ATOM 0 HD13 ILE D 42 9.333 -7.740 1.300 1.00 0.00 H new ATOM 1903 N LEU D 43 7.522 -10.569 6.109 1.00 0.00 N ATOM 1904 CA LEU D 43 7.855 -11.605 7.077 1.00 0.00 C ATOM 1905 C LEU D 43 7.080 -12.879 6.773 1.00 0.00 C ATOM 1906 O LEU D 43 7.631 -13.979 6.821 1.00 0.00 O ATOM 1907 CB LEU D 43 7.526 -11.121 8.495 1.00 0.00 C ATOM 1908 CG LEU D 43 7.788 -12.239 9.519 1.00 0.00 C ATOM 1909 CD1 LEU D 43 9.243 -12.723 9.416 1.00 0.00 C ATOM 1910 CD2 LEU D 43 7.526 -11.696 10.926 1.00 0.00 C ATOM 0 H LEU D 43 7.102 -9.730 6.509 1.00 0.00 H new ATOM 0 HA LEU D 43 8.922 -11.818 7.010 1.00 0.00 H new ATOM 0 HB2 LEU D 43 8.132 -10.248 8.738 1.00 0.00 H new ATOM 0 HB3 LEU D 43 6.483 -10.809 8.547 1.00 0.00 H new ATOM 0 HG LEU D 43 7.124 -13.079 9.314 1.00 0.00 H new ATOM 0 HD11 LEU D 43 9.416 -13.514 10.146 1.00 0.00 H new ATOM 0 HD12 LEU D 43 9.428 -13.108 8.413 1.00 0.00 H new ATOM 0 HD13 LEU D 43 9.918 -11.891 9.616 1.00 0.00 H new ATOM 0 HD21 LEU D 43 7.709 -12.482 11.659 1.00 0.00 H new ATOM 0 HD22 LEU D 43 8.192 -10.855 11.121 1.00 0.00 H new ATOM 0 HD23 LEU D 43 6.490 -11.364 11.001 1.00 0.00 H new