USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 354 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 Set 1.1: C 467 MET CE :methyl 175:sc= -1.5 (180deg=-1.65) USER MOD Set 1.2: C 490 THR OG1 : rot 66:sc= 1.3 USER MOD Set 2.1: C 483 THR OG1 : rot -119:sc= 0.967 USER MOD Set 2.2: C 489 THR OG1 : rot -49:sc= 1.28 USER MOD Set 3.1: C 458 ASN : amide:sc= 0 X(o=0.34,f=0.34) USER MOD Set 3.2: C 473 TYR OH : rot 79:sc= 0.344 USER MOD Set 4.1: C 456 GLN : amide:sc= -0.853 K(o=-6.2,f=-14!) USER MOD Set 4.2: C 460 MET CE :methyl 177:sc= -5.35! (180deg=-4.92!) USER MOD Single : C 462 HIS : no HE2:sc=-0.00785 K(o=-0.0078,f=-2.1!) USER MOD Single : C 463 GLN : amide:sc= -0.488 K(o=-0.49,f=-1.4) USER MOD Single : C 465 GLN : amide:sc= -2 K(o=-2,f=-4.2!) USER MOD Single : C 470 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc= -0.102 F(o=-1.4,f=-0.1) USER MOD Single : C 481 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : C 485 SER OG : rot 160:sc= -0.151 USER MOD Single : C 492 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.377 -1.542 9.649 1.00 0.00 N ATOM 40 CA GLN C 456 -11.474 -1.929 10.533 1.00 0.00 C ATOM 41 C GLN C 456 -12.279 -3.077 9.914 1.00 0.00 C ATOM 42 O GLN C 456 -12.562 -4.078 10.579 1.00 0.00 O ATOM 43 CB GLN C 456 -12.374 -0.706 10.820 1.00 0.00 C ATOM 44 CG GLN C 456 -13.280 -0.837 12.048 1.00 0.00 C ATOM 45 CD GLN C 456 -14.494 -1.715 11.815 1.00 0.00 C ATOM 46 OE1 GLN C 456 -15.002 -1.807 10.701 1.00 0.00 O ATOM 47 NE2 GLN C 456 -14.978 -2.346 12.865 1.00 0.00 N ATOM 0 HA GLN C 456 -11.064 -2.282 11.479 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -11.739 0.170 10.949 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.998 -0.521 9.946 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -12.700 -1.246 12.875 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -13.613 0.156 12.351 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -14.527 -2.244 13.774 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -15.804 -2.937 12.769 1.00 0.00 H new ATOM 56 N LEU C 457 -12.618 -2.938 8.637 1.00 0.00 N ATOM 57 CA LEU C 457 -13.385 -3.967 7.934 1.00 0.00 C ATOM 58 C LEU C 457 -12.574 -5.248 7.817 1.00 0.00 C ATOM 59 O LEU C 457 -13.099 -6.349 8.004 1.00 0.00 O ATOM 60 CB LEU C 457 -13.791 -3.490 6.533 1.00 0.00 C ATOM 61 CG LEU C 457 -14.578 -2.179 6.459 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.021 -1.912 5.037 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.774 -2.207 7.389 1.00 0.00 C ATOM 0 H LEU C 457 -12.376 -2.127 8.067 1.00 0.00 H new ATOM 0 HA LEU C 457 -14.287 -4.162 8.514 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.886 -3.379 5.935 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -14.388 -4.273 6.066 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.921 -1.371 6.780 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.579 -0.977 4.999 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -14.146 -1.838 4.391 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.657 -2.728 4.695 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -16.314 -1.263 7.316 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -16.435 -3.026 7.107 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.434 -2.352 8.415 1.00 0.00 H new ATOM 75 N ASN C 458 -11.291 -5.093 7.516 1.00 0.00 N ATOM 76 CA ASN C 458 -10.390 -6.228 7.364 1.00 0.00 C ATOM 77 C ASN C 458 -10.288 -7.011 8.665 1.00 0.00 C ATOM 78 O ASN C 458 -10.245 -8.241 8.656 1.00 0.00 O ATOM 79 CB ASN C 458 -9.000 -5.753 6.932 1.00 0.00 C ATOM 80 CG ASN C 458 -8.077 -6.897 6.557 1.00 0.00 C ATOM 81 OD1 ASN C 458 -7.367 -7.446 7.405 1.00 0.00 O ATOM 82 ND2 ASN C 458 -8.071 -7.255 5.287 1.00 0.00 N ATOM 0 H ASN C 458 -10.849 -4.185 7.371 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.796 -6.883 6.593 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -9.100 -5.079 6.081 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.549 -5.179 7.742 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -7.464 -8.012 4.973 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -8.674 -6.775 4.619 1.00 0.00 H new ATOM 89 N ALA C 459 -10.263 -6.288 9.779 1.00 0.00 N ATOM 90 CA ALA C 459 -10.181 -6.906 11.094 1.00 0.00 C ATOM 91 C ALA C 459 -11.430 -7.723 11.390 1.00 0.00 C ATOM 92 O ALA C 459 -11.344 -8.843 11.895 1.00 0.00 O ATOM 93 CB ALA C 459 -9.971 -5.848 12.169 1.00 0.00 C ATOM 0 H ALA C 459 -10.299 -5.269 9.796 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.325 -7.581 11.098 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.912 -6.328 13.146 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -9.044 -5.309 11.973 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.807 -5.148 12.159 1.00 0.00 H new ATOM 99 N MET C 460 -12.594 -7.168 11.060 1.00 0.00 N ATOM 100 CA MET C 460 -13.854 -7.866 11.280 1.00 0.00 C ATOM 101 C MET C 460 -13.912 -9.138 10.448 1.00 0.00 C ATOM 102 O MET C 460 -14.245 -10.208 10.957 1.00 0.00 O ATOM 103 CB MET C 460 -15.052 -6.962 10.961 1.00 0.00 C ATOM 104 CG MET C 460 -15.114 -5.702 11.808 1.00 0.00 C ATOM 105 SD MET C 460 -16.703 -4.861 11.688 1.00 0.00 S ATOM 106 CE MET C 460 -16.687 -4.383 9.973 1.00 0.00 C ATOM 0 H MET C 460 -12.689 -6.242 10.642 1.00 0.00 H new ATOM 0 HA MET C 460 -13.907 -8.136 12.335 1.00 0.00 H new ATOM 0 HB2 MET C 460 -15.012 -6.679 9.909 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.971 -7.530 11.104 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.922 -5.959 12.850 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.322 -5.020 11.497 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.629 -3.896 9.722 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.863 -3.692 9.795 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.559 -5.268 9.350 1.00 0.00 H new ATOM 116 N ALA C 461 -13.563 -9.020 9.170 1.00 0.00 N ATOM 117 CA ALA C 461 -13.547 -10.164 8.267 1.00 0.00 C ATOM 118 C ALA C 461 -12.551 -11.217 8.745 1.00 0.00 C ATOM 119 O ALA C 461 -12.773 -12.418 8.589 1.00 0.00 O ATOM 120 CB ALA C 461 -13.201 -9.715 6.859 1.00 0.00 C ATOM 0 H ALA C 461 -13.287 -8.139 8.736 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.541 -10.611 8.261 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.192 -10.578 6.194 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.945 -8.998 6.513 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.217 -9.246 6.858 1.00 0.00 H new ATOM 126 N HIS C 462 -11.462 -10.749 9.341 1.00 0.00 N ATOM 127 CA HIS C 462 -10.424 -11.622 9.868 1.00 0.00 C ATOM 128 C HIS C 462 -10.994 -12.523 10.948 1.00 0.00 C ATOM 129 O HIS C 462 -10.655 -13.699 11.025 1.00 0.00 O ATOM 130 CB HIS C 462 -9.279 -10.785 10.447 1.00 0.00 C ATOM 131 CG HIS C 462 -7.994 -11.536 10.668 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.927 -12.798 11.224 1.00 0.00 N ATOM 133 CD2 HIS C 462 -6.719 -11.184 10.398 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.667 -13.180 11.288 1.00 0.00 C ATOM 135 NE2 HIS C 462 -5.915 -12.221 10.794 1.00 0.00 N ATOM 0 H HIS C 462 -11.275 -9.755 9.472 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.042 -12.240 9.055 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.083 -9.949 9.775 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.603 -10.361 11.397 1.00 0.00 H new ATOM 0 HD1 HIS C 462 -8.727 -13.348 11.536 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -6.393 -10.256 9.952 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.312 -14.122 11.680 1.00 0.00 H new ATOM 144 N GLN C 463 -11.862 -11.970 11.772 1.00 0.00 N ATOM 145 CA GLN C 463 -12.458 -12.725 12.858 1.00 0.00 C ATOM 146 C GLN C 463 -13.538 -13.646 12.343 1.00 0.00 C ATOM 147 O GLN C 463 -13.748 -14.732 12.879 1.00 0.00 O ATOM 148 CB GLN C 463 -13.001 -11.786 13.933 1.00 0.00 C ATOM 149 CG GLN C 463 -11.962 -10.791 14.418 1.00 0.00 C ATOM 150 CD GLN C 463 -10.633 -11.455 14.733 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.582 -12.596 15.213 1.00 0.00 O ATOM 152 NE2 GLN C 463 -9.552 -10.766 14.425 1.00 0.00 N ATOM 0 H GLN C 463 -12.171 -11.000 11.711 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.682 -13.342 13.311 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.860 -11.245 13.537 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -13.357 -12.375 14.778 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -11.812 -10.025 13.657 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.334 -10.286 15.309 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -9.639 -9.829 14.032 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -8.628 -11.170 14.580 1.00 0.00 H new ATOM 161 N ILE C 464 -14.215 -13.221 11.288 1.00 0.00 N ATOM 162 CA ILE C 464 -15.233 -14.046 10.675 1.00 0.00 C ATOM 163 C ILE C 464 -14.606 -15.290 10.063 1.00 0.00 C ATOM 164 O ILE C 464 -15.151 -16.376 10.180 1.00 0.00 O ATOM 165 CB ILE C 464 -16.042 -13.283 9.604 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.697 -12.054 10.233 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.101 -14.197 8.987 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.483 -11.201 9.262 1.00 0.00 C ATOM 0 H ILE C 464 -14.076 -12.314 10.843 1.00 0.00 H new ATOM 0 HA ILE C 464 -15.927 -14.336 11.464 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.368 -12.958 8.812 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.362 -12.381 11.032 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -15.923 -11.440 10.693 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.663 -13.645 8.234 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.615 -15.054 8.521 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.781 -14.544 9.765 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -17.914 -10.351 9.791 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.820 -10.841 8.475 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.282 -11.796 8.819 1.00 0.00 H new ATOM 180 N GLN C 465 -13.437 -15.133 9.442 1.00 0.00 N ATOM 181 CA GLN C 465 -12.742 -16.276 8.858 1.00 0.00 C ATOM 182 C GLN C 465 -12.208 -17.193 9.959 1.00 0.00 C ATOM 183 O GLN C 465 -11.959 -18.369 9.736 1.00 0.00 O ATOM 184 CB GLN C 465 -11.589 -15.839 7.954 1.00 0.00 C ATOM 185 CG GLN C 465 -11.025 -16.993 7.130 1.00 0.00 C ATOM 186 CD GLN C 465 -9.717 -16.670 6.451 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.684 -16.222 5.307 1.00 0.00 O ATOM 188 NE2 GLN C 465 -8.631 -16.904 7.145 1.00 0.00 N ATOM 0 H GLN C 465 -12.958 -14.239 9.332 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.465 -16.817 8.248 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.935 -15.053 7.283 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.795 -15.410 8.565 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.884 -17.857 7.780 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.756 -17.279 6.374 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -8.701 -17.276 8.092 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -7.715 -16.714 6.738 1.00 0.00 H new ATOM 197 N GLU C 466 -12.023 -16.641 11.143 1.00 0.00 N ATOM 198 CA GLU C 466 -11.561 -17.421 12.272 1.00 0.00 C ATOM 199 C GLU C 466 -12.690 -18.276 12.824 1.00 0.00 C ATOM 200 O GLU C 466 -12.460 -19.349 13.383 1.00 0.00 O ATOM 201 CB GLU C 466 -10.994 -16.510 13.350 1.00 0.00 C ATOM 202 CG GLU C 466 -9.689 -15.853 12.951 1.00 0.00 C ATOM 203 CD GLU C 466 -8.617 -16.865 12.618 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.006 -17.415 13.551 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.388 -17.122 11.421 1.00 0.00 O ATOM 0 H GLU C 466 -12.186 -15.655 11.347 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.765 -18.085 11.935 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.726 -15.737 13.585 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.838 -17.089 14.261 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -9.858 -15.208 12.088 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.343 -15.214 13.763 1.00 0.00 H new ATOM 212 N MET C 467 -13.907 -17.791 12.662 1.00 0.00 N ATOM 213 CA MET C 467 -15.084 -18.522 13.083 1.00 0.00 C ATOM 214 C MET C 467 -15.549 -19.437 11.958 1.00 0.00 C ATOM 215 O MET C 467 -15.977 -20.564 12.192 1.00 0.00 O ATOM 216 CB MET C 467 -16.209 -17.556 13.457 1.00 0.00 C ATOM 217 CG MET C 467 -15.890 -16.641 14.627 1.00 0.00 C ATOM 218 SD MET C 467 -17.274 -15.560 15.065 1.00 0.00 S ATOM 219 CE MET C 467 -17.424 -14.565 13.580 1.00 0.00 C ATOM 0 H MET C 467 -14.105 -16.885 12.238 1.00 0.00 H new ATOM 0 HA MET C 467 -14.829 -19.119 13.958 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.449 -16.943 12.588 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.102 -18.133 13.696 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.618 -17.246 15.492 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.022 -16.031 14.379 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.293 -13.912 13.666 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.526 -13.960 13.455 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.544 -15.218 12.715 1.00 0.00 H new ATOM 229 N PHE C 468 -15.457 -18.934 10.738 1.00 0.00 N ATOM 230 CA PHE C 468 -15.873 -19.666 9.556 1.00 0.00 C ATOM 231 C PHE C 468 -14.753 -19.700 8.507 1.00 0.00 C ATOM 232 O PHE C 468 -14.802 -18.973 7.521 1.00 0.00 O ATOM 233 CB PHE C 468 -17.128 -19.018 8.951 1.00 0.00 C ATOM 234 CG PHE C 468 -18.360 -19.152 9.802 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.621 -18.247 10.812 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.249 -20.188 9.591 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.747 -18.370 11.595 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.379 -20.319 10.371 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.629 -19.410 11.374 1.00 0.00 C ATOM 0 H PHE C 468 -15.090 -18.003 10.540 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.099 -20.690 9.854 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.931 -17.960 8.780 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.322 -19.467 7.977 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.934 -17.433 10.990 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.057 -20.904 8.806 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.940 -17.655 12.381 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.066 -21.133 10.195 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.513 -19.510 11.987 1.00 0.00 H new ATOM 249 N PRO C 469 -13.719 -20.538 8.721 1.00 0.00 N ATOM 250 CA PRO C 469 -12.591 -20.671 7.782 1.00 0.00 C ATOM 251 C PRO C 469 -13.036 -21.187 6.415 1.00 0.00 C ATOM 252 O PRO C 469 -12.309 -21.077 5.426 1.00 0.00 O ATOM 253 CB PRO C 469 -11.684 -21.708 8.455 1.00 0.00 C ATOM 254 CG PRO C 469 -12.085 -21.699 9.885 1.00 0.00 C ATOM 255 CD PRO C 469 -13.545 -21.382 9.904 1.00 0.00 C ATOM 0 HA PRO C 469 -12.108 -19.712 7.594 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.818 -22.696 8.014 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.632 -21.447 8.338 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -11.890 -22.665 10.351 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.517 -20.955 10.444 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.154 -22.284 9.848 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.832 -20.860 10.817 1.00 0.00 H new ATOM 263 N GLN C 470 -14.232 -21.749 6.378 1.00 0.00 N ATOM 264 CA GLN C 470 -14.798 -22.307 5.154 1.00 0.00 C ATOM 265 C GLN C 470 -15.160 -21.222 4.129 1.00 0.00 C ATOM 266 O GLN C 470 -15.280 -21.508 2.941 1.00 0.00 O ATOM 267 CB GLN C 470 -16.045 -23.145 5.471 1.00 0.00 C ATOM 268 CG GLN C 470 -17.122 -22.385 6.239 1.00 0.00 C ATOM 269 CD GLN C 470 -18.446 -23.128 6.294 1.00 0.00 C ATOM 270 OE1 GLN C 470 -18.795 -23.869 5.376 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.189 -22.939 7.372 1.00 0.00 N ATOM 0 H GLN C 470 -14.840 -21.833 7.192 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.028 -22.940 4.713 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.470 -23.513 4.537 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -15.746 -24.018 6.052 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -16.773 -22.199 7.255 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.276 -21.412 5.772 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -18.865 -22.316 8.112 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.086 -23.416 7.463 1.00 0.00 H new ATOM 280 N VAL C 471 -15.317 -19.987 4.582 1.00 0.00 N ATOM 281 CA VAL C 471 -15.751 -18.910 3.704 1.00 0.00 C ATOM 282 C VAL C 471 -14.565 -18.143 3.102 1.00 0.00 C ATOM 283 O VAL C 471 -13.461 -18.158 3.653 1.00 0.00 O ATOM 284 CB VAL C 471 -16.681 -17.927 4.449 1.00 0.00 C ATOM 285 CG1 VAL C 471 -17.728 -18.683 5.240 1.00 0.00 C ATOM 286 CG2 VAL C 471 -15.889 -16.994 5.347 1.00 0.00 C ATOM 0 H VAL C 471 -15.151 -19.706 5.548 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.303 -19.376 2.888 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.190 -17.314 3.705 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.374 -17.975 5.758 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.327 -19.292 4.562 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.238 -19.328 5.969 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -16.571 -16.314 5.858 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.339 -17.579 6.085 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.187 -16.418 4.744 1.00 0.00 H new ATOM 296 N PRO C 472 -14.777 -17.475 1.949 1.00 0.00 N ATOM 297 CA PRO C 472 -13.747 -16.685 1.282 1.00 0.00 C ATOM 298 C PRO C 472 -13.561 -15.325 1.940 1.00 0.00 C ATOM 299 O PRO C 472 -14.504 -14.534 2.035 1.00 0.00 O ATOM 300 CB PRO C 472 -14.283 -16.509 -0.150 1.00 0.00 C ATOM 301 CG PRO C 472 -15.546 -17.304 -0.205 1.00 0.00 C ATOM 302 CD PRO C 472 -16.026 -17.432 1.208 1.00 0.00 C ATOM 0 HA PRO C 472 -12.773 -17.173 1.325 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -14.471 -15.459 -0.372 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -13.562 -16.866 -0.885 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -16.292 -16.806 -0.825 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -15.369 -18.285 -0.645 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.648 -16.588 1.506 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.620 -18.334 1.357 1.00 0.00 H new ATOM 310 N TYR C 473 -12.340 -15.057 2.353 1.00 0.00 N ATOM 311 CA TYR C 473 -11.972 -13.815 3.044 1.00 0.00 C ATOM 312 C TYR C 473 -12.390 -12.580 2.234 1.00 0.00 C ATOM 313 O TYR C 473 -12.927 -11.617 2.781 1.00 0.00 O ATOM 314 CB TYR C 473 -10.456 -13.799 3.256 1.00 0.00 C ATOM 315 CG TYR C 473 -9.957 -12.830 4.311 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.708 -11.497 4.012 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.707 -13.264 5.601 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.226 -10.630 4.978 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.233 -12.410 6.566 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.991 -11.096 6.254 1.00 0.00 C ATOM 321 OH TYR C 473 -8.502 -10.246 7.220 1.00 0.00 O ATOM 0 H TYR C 473 -11.557 -15.697 2.222 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.492 -13.781 4.001 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.134 -14.804 3.528 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.976 -13.556 2.308 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.893 -11.132 3.013 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.889 -14.298 5.854 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.035 -9.595 4.733 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -9.051 -12.771 7.567 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.231 -9.691 7.567 1.00 0.00 H new ATOM 331 N HIS C 474 -12.156 -12.635 0.933 1.00 0.00 N ATOM 332 CA HIS C 474 -12.435 -11.518 0.036 1.00 0.00 C ATOM 333 C HIS C 474 -13.922 -11.211 -0.042 1.00 0.00 C ATOM 334 O HIS C 474 -14.316 -10.055 0.014 1.00 0.00 O ATOM 335 CB HIS C 474 -11.889 -11.825 -1.353 1.00 0.00 C ATOM 336 CG HIS C 474 -11.803 -10.633 -2.259 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.782 -9.713 -2.195 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.613 -10.221 -3.263 1.00 0.00 C ATOM 339 CE1 HIS C 474 -10.966 -8.787 -3.115 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.070 -9.071 -3.778 1.00 0.00 N ATOM 0 H HIS C 474 -11.767 -13.454 0.466 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.940 -10.634 0.438 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -10.896 -12.262 -1.252 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -12.523 -12.578 -1.822 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.518 -10.707 -3.596 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -10.322 -7.939 -3.295 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -12.457 -8.525 -4.548 1.00 0.00 H new ATOM 349 N LEU C 475 -14.747 -12.242 -0.171 1.00 0.00 N ATOM 350 CA LEU C 475 -16.189 -12.035 -0.256 1.00 0.00 C ATOM 351 C LEU C 475 -16.719 -11.511 1.061 1.00 0.00 C ATOM 352 O LEU C 475 -17.697 -10.768 1.099 1.00 0.00 O ATOM 353 CB LEU C 475 -16.920 -13.322 -0.646 1.00 0.00 C ATOM 354 CG LEU C 475 -16.525 -13.955 -1.984 1.00 0.00 C ATOM 355 CD1 LEU C 475 -17.551 -14.994 -2.399 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.370 -12.901 -3.067 1.00 0.00 C ATOM 0 H LEU C 475 -14.450 -13.217 -0.219 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.375 -11.297 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.757 -14.058 0.141 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.989 -13.113 -0.670 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.560 -14.445 -1.853 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -17.257 -15.435 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -17.607 -15.774 -1.640 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.527 -14.520 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.089 -13.381 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.314 -12.373 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.595 -12.192 -2.776 1.00 0.00 H new ATOM 368 N VAL C 476 -16.059 -11.890 2.144 1.00 0.00 N ATOM 369 CA VAL C 476 -16.427 -11.393 3.455 1.00 0.00 C ATOM 370 C VAL C 476 -16.118 -9.903 3.518 1.00 0.00 C ATOM 371 O VAL C 476 -16.955 -9.102 3.914 1.00 0.00 O ATOM 372 CB VAL C 476 -15.684 -12.144 4.587 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.048 -11.576 5.943 1.00 0.00 C ATOM 374 CG2 VAL C 476 -16.010 -13.622 4.539 1.00 0.00 C ATOM 0 H VAL C 476 -15.270 -12.537 2.139 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.493 -11.564 3.605 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.613 -12.011 4.435 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.513 -12.121 6.721 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.772 -10.522 5.982 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.122 -11.676 6.103 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.481 -14.138 5.340 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -17.084 -13.762 4.664 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.700 -14.032 3.578 1.00 0.00 H new ATOM 384 N LEU C 477 -14.911 -9.548 3.079 1.00 0.00 N ATOM 385 CA LEU C 477 -14.488 -8.151 2.985 1.00 0.00 C ATOM 386 C LEU C 477 -15.503 -7.349 2.180 1.00 0.00 C ATOM 387 O LEU C 477 -15.823 -6.211 2.521 1.00 0.00 O ATOM 388 CB LEU C 477 -13.118 -8.073 2.297 1.00 0.00 C ATOM 389 CG LEU C 477 -11.916 -8.540 3.112 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.652 -8.463 2.275 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.765 -7.706 4.372 1.00 0.00 C ATOM 0 H LEU C 477 -14.202 -10.217 2.780 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.419 -7.735 3.990 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.161 -8.666 1.384 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.946 -7.039 1.998 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.081 -9.577 3.405 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.802 -8.799 2.868 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.757 -9.101 1.398 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.488 -7.433 1.957 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.902 -8.056 4.939 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.622 -6.660 4.101 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.663 -7.803 4.982 1.00 0.00 H new ATOM 403 N GLN C 478 -16.008 -7.963 1.119 1.00 0.00 N ATOM 404 CA GLN C 478 -16.990 -7.339 0.257 1.00 0.00 C ATOM 405 C GLN C 478 -18.274 -7.036 1.012 1.00 0.00 C ATOM 406 O GLN C 478 -18.757 -5.912 0.987 1.00 0.00 O ATOM 407 CB GLN C 478 -17.285 -8.227 -0.943 1.00 0.00 C ATOM 408 CG GLN C 478 -16.100 -8.433 -1.858 1.00 0.00 C ATOM 409 CD GLN C 478 -16.474 -9.124 -3.148 1.00 0.00 C ATOM 410 OE1 GLN C 478 -17.528 -9.917 -3.115 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -15.825 -8.929 -4.176 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.746 -8.907 0.836 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.573 -6.395 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -17.631 -9.198 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -18.102 -7.788 -1.516 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -15.649 -7.467 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -15.344 -9.023 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -15.016 -8.308 -4.158 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -16.096 -9.389 -5.045 1.00 0.00 H new ATOM 420 N ASP C 479 -18.817 -8.037 1.701 1.00 0.00 N ATOM 421 CA ASP C 479 -20.062 -7.852 2.454 1.00 0.00 C ATOM 422 C ASP C 479 -19.873 -6.829 3.560 1.00 0.00 C ATOM 423 O ASP C 479 -20.798 -6.119 3.920 1.00 0.00 O ATOM 424 CB ASP C 479 -20.559 -9.169 3.043 1.00 0.00 C ATOM 425 CG ASP C 479 -21.994 -9.070 3.553 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.926 -9.285 2.742 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.195 -8.777 4.757 1.00 0.00 O ATOM 0 H ASP C 479 -18.422 -8.976 1.756 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.814 -7.485 1.756 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.498 -9.950 2.285 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.905 -9.468 3.862 1.00 0.00 H new ATOM 432 N LEU C 480 -18.659 -6.731 4.073 1.00 0.00 N ATOM 433 CA LEU C 480 -18.351 -5.764 5.111 1.00 0.00 C ATOM 434 C LEU C 480 -18.294 -4.361 4.537 1.00 0.00 C ATOM 435 O LEU C 480 -18.367 -3.378 5.263 1.00 0.00 O ATOM 436 CB LEU C 480 -17.053 -6.109 5.851 1.00 0.00 C ATOM 437 CG LEU C 480 -17.208 -6.948 7.123 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.342 -6.429 7.980 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.447 -8.378 6.779 1.00 0.00 C ATOM 0 H LEU C 480 -17.870 -7.310 3.787 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.157 -5.805 5.844 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.398 -6.644 5.164 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.549 -5.179 6.112 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.281 -6.869 7.691 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.431 -7.042 8.877 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.140 -5.397 8.265 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.274 -6.474 7.416 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.555 -8.959 7.695 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.358 -8.462 6.186 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.603 -8.760 6.204 1.00 0.00 H new ATOM 451 N GLN C 481 -18.164 -4.276 3.230 1.00 0.00 N ATOM 452 CA GLN C 481 -18.212 -3.006 2.541 1.00 0.00 C ATOM 453 C GLN C 481 -19.663 -2.651 2.266 1.00 0.00 C ATOM 454 O GLN C 481 -20.007 -1.488 2.059 1.00 0.00 O ATOM 455 CB GLN C 481 -17.449 -3.086 1.218 1.00 0.00 C ATOM 456 CG GLN C 481 -15.942 -3.207 1.364 1.00 0.00 C ATOM 457 CD GLN C 481 -15.234 -1.861 1.427 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.912 -0.850 1.933 1.00 0.00 O flip ATOM 459 NE2 GLN C 481 -14.086 -1.739 1.011 1.00 0.00 N flip ATOM 0 H GLN C 481 -18.023 -5.081 2.619 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.748 -2.242 3.165 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.816 -3.943 0.653 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.674 -2.196 0.630 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.716 -3.772 2.268 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.547 -3.779 0.524 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.594 -2.546 0.626 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.623 -0.831 1.050 1.00 0.00 H new ATOM 468 N LEU C 482 -20.506 -3.674 2.276 1.00 0.00 N ATOM 469 CA LEU C 482 -21.913 -3.525 1.984 1.00 0.00 C ATOM 470 C LEU C 482 -22.721 -3.300 3.258 1.00 0.00 C ATOM 471 O LEU C 482 -23.434 -2.308 3.387 1.00 0.00 O ATOM 472 CB LEU C 482 -22.431 -4.783 1.275 1.00 0.00 C ATOM 473 CG LEU C 482 -21.551 -5.346 0.154 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.247 -6.494 -0.547 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.164 -4.266 -0.836 1.00 0.00 C ATOM 0 H LEU C 482 -20.226 -4.632 2.488 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.033 -2.655 1.339 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.571 -5.563 2.023 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.413 -4.560 0.859 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.635 -5.725 0.607 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.605 -6.879 -1.339 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.453 -7.288 0.171 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.184 -6.142 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.540 -4.697 -1.619 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.064 -3.841 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.610 -3.482 -0.321 1.00 0.00 H new ATOM 487 N THR C 483 -22.596 -4.221 4.202 1.00 0.00 N ATOM 488 CA THR C 483 -23.369 -4.155 5.424 1.00 0.00 C ATOM 489 C THR C 483 -22.579 -3.486 6.528 1.00 0.00 C ATOM 490 O THR C 483 -23.153 -2.856 7.420 1.00 0.00 O ATOM 491 CB THR C 483 -23.795 -5.563 5.892 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.633 -6.373 6.123 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.683 -6.231 4.852 1.00 0.00 C ATOM 0 H THR C 483 -21.966 -5.021 4.141 1.00 0.00 H new ATOM 0 HA THR C 483 -24.260 -3.566 5.209 1.00 0.00 H new ATOM 0 HB THR C 483 -24.359 -5.461 6.819 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.653 -7.151 5.528 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.971 -7.222 5.202 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.577 -5.627 4.695 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.138 -6.323 3.913 1.00 0.00 H new ATOM 501 N ARG C 484 -21.245 -3.630 6.463 1.00 0.00 N ATOM 502 CA ARG C 484 -20.339 -3.077 7.460 1.00 0.00 C ATOM 503 C ARG C 484 -20.623 -3.655 8.843 1.00 0.00 C ATOM 504 O ARG C 484 -20.229 -3.086 9.857 1.00 0.00 O ATOM 505 CB ARG C 484 -20.444 -1.561 7.492 1.00 0.00 C ATOM 506 CG ARG C 484 -20.129 -0.888 6.176 1.00 0.00 C ATOM 507 CD ARG C 484 -20.368 0.595 6.276 1.00 0.00 C ATOM 508 NE ARG C 484 -20.027 1.306 5.045 1.00 0.00 N ATOM 509 CZ ARG C 484 -19.815 2.622 4.982 1.00 0.00 C ATOM 510 NH1 ARG C 484 -19.924 3.367 6.079 1.00 0.00 N ATOM 511 NH2 ARG C 484 -19.498 3.191 3.824 1.00 0.00 N ATOM 0 H ARG C 484 -20.773 -4.135 5.713 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.323 -3.354 7.179 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.454 -1.285 7.795 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.766 -1.177 8.254 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.091 -1.078 5.902 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.750 -1.311 5.386 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -21.416 0.775 6.516 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -19.779 0.999 7.099 1.00 0.00 H new ATOM 0 HE ARG C 484 -19.946 0.765 4.184 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -20.170 2.932 6.968 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -19.762 4.373 6.031 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -19.416 2.622 2.982 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -19.336 4.197 3.777 1.00 0.00 H new ATOM 525 N SER C 485 -21.288 -4.797 8.873 1.00 0.00 N ATOM 526 CA SER C 485 -21.646 -5.425 10.117 1.00 0.00 C ATOM 527 C SER C 485 -21.273 -6.889 10.100 1.00 0.00 C ATOM 528 O SER C 485 -21.921 -7.686 9.430 1.00 0.00 O ATOM 529 CB SER C 485 -23.147 -5.284 10.368 1.00 0.00 C ATOM 530 OG SER C 485 -23.497 -5.734 11.674 1.00 0.00 O ATOM 0 H SER C 485 -21.589 -5.305 8.041 1.00 0.00 H new ATOM 0 HA SER C 485 -21.098 -4.929 10.918 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.442 -4.241 10.249 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.698 -5.858 9.623 1.00 0.00 H new ATOM 0 HG SER C 485 -24.362 -5.352 11.931 1.00 0.00 H new ATOM 536 N VAL C 486 -20.229 -7.240 10.842 1.00 0.00 N ATOM 537 CA VAL C 486 -19.785 -8.626 10.936 1.00 0.00 C ATOM 538 C VAL C 486 -20.926 -9.530 11.408 1.00 0.00 C ATOM 539 O VAL C 486 -21.053 -10.669 10.949 1.00 0.00 O ATOM 540 CB VAL C 486 -18.520 -8.784 11.852 1.00 0.00 C ATOM 541 CG1 VAL C 486 -18.396 -7.622 12.810 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.532 -10.102 12.625 1.00 0.00 C ATOM 0 H VAL C 486 -19.673 -6.582 11.389 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.490 -8.939 9.935 1.00 0.00 H new ATOM 0 HB VAL C 486 -17.652 -8.792 11.192 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -17.512 -7.757 13.433 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -18.305 -6.694 12.246 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -19.282 -7.576 13.443 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.638 -10.168 13.245 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.418 -10.144 13.259 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -18.549 -10.936 11.923 1.00 0.00 H new ATOM 552 N GLU C 487 -21.767 -9.005 12.303 1.00 0.00 N ATOM 553 CA GLU C 487 -22.929 -9.743 12.789 1.00 0.00 C ATOM 554 C GLU C 487 -23.803 -10.165 11.619 1.00 0.00 C ATOM 555 O GLU C 487 -24.165 -11.337 11.487 1.00 0.00 O ATOM 556 CB GLU C 487 -23.754 -8.883 13.738 1.00 0.00 C ATOM 557 CG GLU C 487 -23.009 -8.395 14.960 1.00 0.00 C ATOM 558 CD GLU C 487 -23.872 -7.511 15.821 1.00 0.00 C ATOM 559 OE1 GLU C 487 -24.241 -6.414 15.362 1.00 0.00 O ATOM 560 OE2 GLU C 487 -24.196 -7.908 16.956 1.00 0.00 O ATOM 0 H GLU C 487 -21.663 -8.073 12.704 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.573 -10.624 13.322 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.130 -8.019 13.190 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.622 -9.456 14.064 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.667 -9.250 15.544 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -22.120 -7.845 14.649 1.00 0.00 H new ATOM 567 N ILE C 488 -24.125 -9.200 10.758 1.00 0.00 N ATOM 568 CA ILE C 488 -24.949 -9.471 9.595 1.00 0.00 C ATOM 569 C ILE C 488 -24.204 -10.364 8.633 1.00 0.00 C ATOM 570 O ILE C 488 -24.702 -11.377 8.252 1.00 0.00 O ATOM 571 CB ILE C 488 -25.377 -8.181 8.862 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.029 -7.199 9.840 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.342 -8.517 7.725 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.472 -5.899 9.201 1.00 0.00 C ATOM 0 H ILE C 488 -23.826 -8.229 10.849 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.852 -9.966 9.952 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.489 -7.709 8.441 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.893 -7.679 10.300 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.324 -6.977 10.641 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.637 -7.600 7.215 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.851 -9.184 7.016 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.227 -9.007 8.132 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.924 -5.257 9.957 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.609 -5.395 8.766 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.202 -6.108 8.419 1.00 0.00 H new ATOM 586 N THR C 489 -22.997 -9.959 8.261 1.00 0.00 N ATOM 587 CA THR C 489 -22.133 -10.716 7.365 1.00 0.00 C ATOM 588 C THR C 489 -22.048 -12.205 7.747 1.00 0.00 C ATOM 589 O THR C 489 -22.124 -13.072 6.882 1.00 0.00 O ATOM 590 CB THR C 489 -20.725 -10.108 7.359 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.816 -8.714 7.055 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.835 -10.784 6.332 1.00 0.00 C ATOM 0 H THR C 489 -22.584 -9.082 8.578 1.00 0.00 H new ATOM 0 HA THR C 489 -22.573 -10.657 6.370 1.00 0.00 H new ATOM 0 HB THR C 489 -20.285 -10.256 8.345 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.376 -8.588 6.261 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.844 -10.330 6.354 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.752 -11.846 6.565 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.268 -10.663 5.339 1.00 0.00 H new ATOM 600 N THR C 490 -21.920 -12.495 9.038 1.00 0.00 N ATOM 601 CA THR C 490 -21.826 -13.869 9.495 1.00 0.00 C ATOM 602 C THR C 490 -23.141 -14.605 9.247 1.00 0.00 C ATOM 603 O THR C 490 -23.152 -15.727 8.733 1.00 0.00 O ATOM 604 CB THR C 490 -21.462 -13.949 10.991 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.286 -13.163 11.254 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.194 -15.386 11.391 1.00 0.00 C ATOM 0 H THR C 490 -21.880 -11.797 9.781 1.00 0.00 H new ATOM 0 HA THR C 490 -21.029 -14.346 8.925 1.00 0.00 H new ATOM 0 HB THR C 490 -22.300 -13.562 11.570 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.487 -12.215 11.109 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.938 -15.427 12.450 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.085 -15.987 11.209 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.365 -15.779 10.802 1.00 0.00 H new ATOM 614 N ASP C 491 -24.243 -13.956 9.584 1.00 0.00 N ATOM 615 CA ASP C 491 -25.565 -14.540 9.368 1.00 0.00 C ATOM 616 C ASP C 491 -25.863 -14.556 7.877 1.00 0.00 C ATOM 617 O ASP C 491 -26.537 -15.447 7.370 1.00 0.00 O ATOM 618 CB ASP C 491 -26.630 -13.740 10.122 1.00 0.00 C ATOM 619 CG ASP C 491 -27.981 -14.423 10.125 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.079 -15.551 10.644 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.947 -13.835 9.617 1.00 0.00 O ATOM 0 H ASP C 491 -24.254 -13.028 10.007 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.579 -15.561 9.749 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.303 -13.587 11.150 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.727 -12.754 9.668 1.00 0.00 H new ATOM 626 N ASN C 492 -25.317 -13.562 7.188 1.00 0.00 N ATOM 627 CA ASN C 492 -25.413 -13.429 5.748 1.00 0.00 C ATOM 628 C ASN C 492 -24.854 -14.676 5.088 1.00 0.00 C ATOM 629 O ASN C 492 -25.479 -15.260 4.204 1.00 0.00 O ATOM 630 CB ASN C 492 -24.637 -12.175 5.272 1.00 0.00 C ATOM 631 CG ASN C 492 -25.541 -11.014 4.916 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.703 -11.203 4.559 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.004 -9.809 4.969 1.00 0.00 N ATOM 0 H ASN C 492 -24.784 -12.812 7.628 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.460 -13.312 5.467 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.947 -11.863 6.056 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.034 -12.437 4.403 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.557 -8.992 4.708 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.036 -9.695 5.271 1.00 0.00 H new ATOM 640 N ILE C 493 -23.673 -15.084 5.539 1.00 0.00 N ATOM 641 CA ILE C 493 -23.035 -16.306 5.067 1.00 0.00 C ATOM 642 C ILE C 493 -23.981 -17.483 5.253 1.00 0.00 C ATOM 643 O ILE C 493 -24.223 -18.266 4.334 1.00 0.00 O ATOM 644 CB ILE C 493 -21.754 -16.605 5.882 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.747 -15.475 5.751 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.135 -17.920 5.441 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.626 -15.546 6.766 1.00 0.00 C ATOM 0 H ILE C 493 -23.133 -14.578 6.240 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.784 -16.167 4.015 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.036 -16.688 6.932 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.320 -15.493 4.748 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.265 -14.522 5.860 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.235 -18.113 6.026 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.849 -18.729 5.597 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.876 -17.864 4.384 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.944 -14.709 6.614 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.042 -15.497 7.772 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.083 -16.483 6.643 1.00 0.00 H new ATOM 659 N LEU C 494 -24.530 -17.565 6.447 1.00 0.00 N ATOM 660 CA LEU C 494 -25.410 -18.647 6.847 1.00 0.00 C ATOM 661 C LEU C 494 -26.744 -18.628 6.083 1.00 0.00 C ATOM 662 O LEU C 494 -27.453 -19.633 6.040 1.00 0.00 O ATOM 663 CB LEU C 494 -25.622 -18.580 8.356 1.00 0.00 C ATOM 664 CG LEU C 494 -24.336 -18.737 9.181 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.577 -18.429 10.644 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.764 -20.136 9.018 1.00 0.00 C ATOM 0 H LEU C 494 -24.376 -16.872 7.179 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.937 -19.595 6.591 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.085 -17.625 8.604 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.325 -19.360 8.648 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.610 -18.017 8.804 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.647 -18.550 11.199 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.930 -17.403 10.746 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.328 -19.112 11.041 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.853 -20.228 9.610 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.494 -20.870 9.359 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.534 -20.315 7.968 1.00 0.00 H new ATOM 678 N GLU C 495 -27.075 -17.486 5.484 1.00 0.00 N ATOM 679 CA GLU C 495 -28.282 -17.374 4.661 1.00 0.00 C ATOM 680 C GLU C 495 -27.957 -17.667 3.200 1.00 0.00 C ATOM 681 O GLU C 495 -28.831 -17.603 2.330 1.00 0.00 O ATOM 682 CB GLU C 495 -28.904 -15.978 4.762 1.00 0.00 C ATOM 683 CG GLU C 495 -29.439 -15.618 6.132 1.00 0.00 C ATOM 684 CD GLU C 495 -30.289 -14.367 6.098 1.00 0.00 C ATOM 685 OE1 GLU C 495 -29.733 -13.262 5.929 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.525 -14.484 6.216 1.00 0.00 O ATOM 0 H GLU C 495 -26.528 -16.627 5.551 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.999 -18.104 5.036 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.155 -15.240 4.475 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.717 -15.905 4.039 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.030 -16.448 6.520 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.606 -15.472 6.820 1.00 0.00 H new ATOM 693 N GLY C 496 -26.697 -17.969 2.930 1.00 0.00 N ATOM 694 CA GLY C 496 -26.276 -18.252 1.574 1.00 0.00 C ATOM 695 C GLY C 496 -26.031 -16.990 0.774 1.00 0.00 C ATOM 696 O GLY C 496 -26.010 -17.017 -0.454 1.00 0.00 O ATOM 0 H GLY C 496 -25.956 -18.023 3.628 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.364 -18.849 1.596 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.038 -18.853 1.077 1.00 0.00 H new ATOM 700 N ARG C 497 -25.852 -15.876 1.477 1.00 0.00 N ATOM 701 CA ARG C 497 -25.598 -14.594 0.831 1.00 0.00 C ATOM 702 C ARG C 497 -24.209 -14.590 0.221 1.00 0.00 C ATOM 703 O ARG C 497 -23.978 -14.004 -0.836 1.00 0.00 O ATOM 704 CB ARG C 497 -25.716 -13.459 1.851 1.00 0.00 C ATOM 705 CG ARG C 497 -25.548 -12.068 1.264 1.00 0.00 C ATOM 706 CD ARG C 497 -26.696 -11.712 0.337 1.00 0.00 C ATOM 707 NE ARG C 497 -26.557 -10.366 -0.204 1.00 0.00 N ATOM 708 CZ ARG C 497 -27.567 -9.518 -0.390 1.00 0.00 C ATOM 709 NH1 ARG C 497 -28.814 -9.879 -0.100 1.00 0.00 N ATOM 710 NH2 ARG C 497 -27.329 -8.310 -0.872 1.00 0.00 N ATOM 0 H ARG C 497 -25.878 -15.836 2.496 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.337 -14.444 0.044 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.691 -13.521 2.334 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.966 -13.605 2.628 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.490 -11.337 2.070 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.607 -12.014 0.716 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -26.738 -12.430 -0.482 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.639 -11.790 0.879 1.00 0.00 H new ATOM 0 HE ARG C 497 -25.621 -10.051 -0.458 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -29.003 -10.811 0.268 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -29.582 -9.223 -0.245 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -26.375 -8.031 -1.100 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -28.100 -7.657 -1.016 1.00 0.00 H new ATOM 724 N ILE C 498 -23.296 -15.253 0.892 1.00 0.00 N ATOM 725 CA ILE C 498 -21.926 -15.333 0.452 1.00 0.00 C ATOM 726 C ILE C 498 -21.616 -16.754 0.008 1.00 0.00 C ATOM 727 O ILE C 498 -21.654 -17.686 0.812 1.00 0.00 O ATOM 728 CB ILE C 498 -20.960 -14.901 1.584 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.244 -13.444 1.979 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.511 -15.067 1.150 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.480 -12.968 3.197 1.00 0.00 C ATOM 0 H ILE C 498 -23.485 -15.753 1.761 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.786 -14.654 -0.389 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.124 -15.541 2.451 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.000 -12.797 1.136 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.312 -13.333 2.168 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.851 -14.758 1.960 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.322 -16.112 0.907 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.321 -14.450 0.272 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.739 -11.930 3.406 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.741 -13.587 4.055 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.409 -13.044 3.007 1.00 0.00 H new