USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=8 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 483 THR OG1 : rot -118:sc= 1.2 USER MOD Set 1.2: C 489 THR OG1 : rot -67:sc= 1.2 USER MOD Set 2.1: C 458 ASN : amide:sc= 0.932 K(o=1.1,f=-2.2) USER MOD Set 2.2: C 462 HIS : no HE2:sc= -0.145 X(o=1.1,f=1.2) USER MOD Set 2.3: C 463 GLN : amide:sc= -0.347 X(o=1.1,f=1.4) USER MOD Set 2.4: C 473 TYR OH : rot -13:sc= 0.682 USER MOD Single : C 456 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.47) USER MOD Single : C 460 MET CE :methyl 161:sc= -2.97! (180deg=-3.56!) USER MOD Single : C 465 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.6!) USER MOD Single : C 467 MET CE :methyl 179:sc= -1.85 (180deg=-1.87) USER MOD Single : C 470 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.45) USER MOD Single : C 474 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=-0.093) USER MOD Single : C 478 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.08) USER MOD Single : C 481 GLN : amide:sc= -1.25 K(o=-1.3,f=-5.4!) USER MOD Single : C 485 SER OG : rot 180:sc= 0 USER MOD Single : C 490 THR OG1 : rot 83:sc= 1.32 USER MOD Single : C 492 ASN : amide:sc= -4.95! C(o=-4.9!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -9.562 -1.177 9.033 1.00 0.00 N ATOM 40 CA GLN C 456 -10.238 -1.693 10.217 1.00 0.00 C ATOM 41 C GLN C 456 -11.165 -2.862 9.841 1.00 0.00 C ATOM 42 O GLN C 456 -11.446 -3.735 10.664 1.00 0.00 O ATOM 43 CB GLN C 456 -11.010 -0.560 10.925 1.00 0.00 C ATOM 44 CG GLN C 456 -11.343 -0.840 12.393 1.00 0.00 C ATOM 45 CD GLN C 456 -12.600 -1.666 12.588 1.00 0.00 C ATOM 46 OE1 GLN C 456 -12.685 -2.479 13.513 1.00 0.00 O ATOM 47 NE2 GLN C 456 -13.597 -1.433 11.757 1.00 0.00 N ATOM 0 HA GLN C 456 -9.493 -2.076 10.914 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -10.421 0.355 10.867 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -11.938 -0.376 10.384 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.503 -1.359 12.854 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -11.458 0.109 12.917 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -13.486 -0.753 11.005 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -14.479 -1.933 11.866 1.00 0.00 H new ATOM 56 N LEU C 457 -11.602 -2.889 8.577 1.00 0.00 N ATOM 57 CA LEU C 457 -12.470 -3.963 8.084 1.00 0.00 C ATOM 58 C LEU C 457 -11.766 -5.308 8.160 1.00 0.00 C ATOM 59 O LEU C 457 -12.411 -6.350 8.303 1.00 0.00 O ATOM 60 CB LEU C 457 -12.891 -3.708 6.639 1.00 0.00 C ATOM 61 CG LEU C 457 -13.753 -2.480 6.384 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.035 -2.352 4.909 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.055 -2.562 7.156 1.00 0.00 C ATOM 0 H LEU C 457 -11.370 -2.182 7.879 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.355 -3.980 8.720 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -11.990 -3.623 6.032 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.433 -4.584 6.283 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.209 -1.600 6.726 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.652 -1.471 4.732 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.095 -2.251 4.366 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.562 -3.240 4.561 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.653 -1.673 6.957 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.608 -3.448 6.844 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -14.842 -2.624 8.223 1.00 0.00 H new ATOM 75 N ASN C 458 -10.441 -5.277 8.062 1.00 0.00 N ATOM 76 CA ASN C 458 -9.632 -6.488 8.096 1.00 0.00 C ATOM 77 C ASN C 458 -9.866 -7.252 9.382 1.00 0.00 C ATOM 78 O ASN C 458 -10.007 -8.470 9.370 1.00 0.00 O ATOM 79 CB ASN C 458 -8.152 -6.146 7.966 1.00 0.00 C ATOM 80 CG ASN C 458 -7.298 -7.373 7.739 1.00 0.00 C ATOM 81 OD1 ASN C 458 -7.731 -8.331 7.111 1.00 0.00 O ATOM 82 ND2 ASN C 458 -6.082 -7.352 8.240 1.00 0.00 N ATOM 0 H ASN C 458 -9.902 -4.418 7.958 1.00 0.00 H new ATOM 0 HA ASN C 458 -9.928 -7.114 7.254 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.013 -5.451 7.138 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.818 -5.636 8.870 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -5.463 -8.153 8.111 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -5.758 -6.535 8.757 1.00 0.00 H new ATOM 89 N ALA C 459 -9.924 -6.525 10.487 1.00 0.00 N ATOM 90 CA ALA C 459 -10.152 -7.121 11.793 1.00 0.00 C ATOM 91 C ALA C 459 -11.553 -7.715 11.868 1.00 0.00 C ATOM 92 O ALA C 459 -11.748 -8.821 12.385 1.00 0.00 O ATOM 93 CB ALA C 459 -9.958 -6.073 12.877 1.00 0.00 C ATOM 0 H ALA C 459 -9.815 -5.511 10.504 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.432 -7.925 11.947 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -10.130 -6.524 13.854 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.940 -5.685 12.830 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.664 -5.257 12.725 1.00 0.00 H new ATOM 99 N MET C 460 -12.522 -6.980 11.329 1.00 0.00 N ATOM 100 CA MET C 460 -13.904 -7.401 11.308 1.00 0.00 C ATOM 101 C MET C 460 -14.060 -8.722 10.560 1.00 0.00 C ATOM 102 O MET C 460 -14.614 -9.688 11.088 1.00 0.00 O ATOM 103 CB MET C 460 -14.736 -6.314 10.646 1.00 0.00 C ATOM 104 CG MET C 460 -14.589 -4.957 11.325 1.00 0.00 C ATOM 105 SD MET C 460 -15.222 -3.595 10.342 1.00 0.00 S ATOM 106 CE MET C 460 -16.779 -4.267 9.834 1.00 0.00 C ATOM 0 H MET C 460 -12.361 -6.072 10.894 1.00 0.00 H new ATOM 0 HA MET C 460 -14.249 -7.559 12.330 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.442 -6.225 9.600 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.785 -6.609 10.658 1.00 0.00 H new ATOM 0 HG2 MET C 460 -15.112 -4.979 12.281 1.00 0.00 H new ATOM 0 HG3 MET C 460 -13.536 -4.780 11.542 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.436 -3.459 9.512 1.00 0.00 H new ATOM 0 HE2 MET C 460 -16.624 -4.960 9.007 1.00 0.00 H new ATOM 0 HE3 MET C 460 -17.237 -4.796 10.670 1.00 0.00 H new ATOM 116 N ALA C 461 -13.547 -8.760 9.337 1.00 0.00 N ATOM 117 CA ALA C 461 -13.613 -9.958 8.516 1.00 0.00 C ATOM 118 C ALA C 461 -12.790 -11.077 9.133 1.00 0.00 C ATOM 119 O ALA C 461 -13.137 -12.252 9.025 1.00 0.00 O ATOM 120 CB ALA C 461 -13.126 -9.660 7.110 1.00 0.00 C ATOM 0 H ALA C 461 -13.079 -7.970 8.892 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.652 -10.283 8.465 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.181 -10.566 6.506 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.753 -8.888 6.664 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.094 -9.312 7.149 1.00 0.00 H new ATOM 126 N HIS C 462 -11.702 -10.698 9.792 1.00 0.00 N ATOM 127 CA HIS C 462 -10.817 -11.652 10.434 1.00 0.00 C ATOM 128 C HIS C 462 -11.555 -12.453 11.495 1.00 0.00 C ATOM 129 O HIS C 462 -11.420 -13.660 11.557 1.00 0.00 O ATOM 130 CB HIS C 462 -9.611 -10.933 11.051 1.00 0.00 C ATOM 131 CG HIS C 462 -8.542 -11.854 11.546 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.714 -12.563 10.708 1.00 0.00 N ATOM 133 CD2 HIS C 462 -8.178 -12.186 12.800 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.890 -13.296 11.426 1.00 0.00 C ATOM 135 NE2 HIS C 462 -7.149 -13.087 12.700 1.00 0.00 N ATOM 0 H HIS C 462 -11.412 -9.725 9.894 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.460 -12.346 9.673 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.182 -10.261 10.307 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.955 -10.314 11.879 1.00 0.00 H new ATOM 0 HD1 HIS C 462 -7.735 -12.527 9.689 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.615 -11.812 13.714 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.130 -13.957 11.036 1.00 0.00 H new ATOM 144 N GLN C 463 -12.353 -11.772 12.308 1.00 0.00 N ATOM 145 CA GLN C 463 -13.091 -12.436 13.384 1.00 0.00 C ATOM 146 C GLN C 463 -14.085 -13.447 12.826 1.00 0.00 C ATOM 147 O GLN C 463 -14.251 -14.536 13.372 1.00 0.00 O ATOM 148 CB GLN C 463 -13.821 -11.414 14.264 1.00 0.00 C ATOM 149 CG GLN C 463 -12.910 -10.377 14.910 1.00 0.00 C ATOM 150 CD GLN C 463 -11.712 -11.001 15.597 1.00 0.00 C ATOM 151 OE1 GLN C 463 -11.773 -11.372 16.770 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.613 -11.093 14.877 1.00 0.00 N ATOM 0 H GLN C 463 -12.508 -10.766 12.247 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.364 -12.968 13.998 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.567 -10.898 13.659 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.359 -11.946 15.048 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.564 -9.678 14.149 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -13.481 -9.800 15.637 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.609 -10.773 13.909 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.765 -11.485 15.288 1.00 0.00 H new ATOM 161 N ILE C 464 -14.737 -13.087 11.733 1.00 0.00 N ATOM 162 CA ILE C 464 -15.696 -13.976 11.103 1.00 0.00 C ATOM 163 C ILE C 464 -14.992 -15.177 10.485 1.00 0.00 C ATOM 164 O ILE C 464 -15.416 -16.310 10.668 1.00 0.00 O ATOM 165 CB ILE C 464 -16.509 -13.262 10.010 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.211 -12.025 10.575 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.533 -14.221 9.406 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.910 -11.213 9.515 1.00 0.00 C ATOM 0 H ILE C 464 -14.620 -12.188 11.265 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.378 -14.307 11.886 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.823 -12.938 9.228 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.938 -12.337 11.325 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.478 -11.397 11.082 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -18.103 -13.705 8.633 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -17.017 -15.075 8.967 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -18.211 -14.568 10.186 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.389 -10.349 9.976 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.182 -10.874 8.778 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.665 -11.828 9.024 1.00 0.00 H new ATOM 180 N GLN C 465 -13.902 -14.919 9.769 1.00 0.00 N ATOM 181 CA GLN C 465 -13.143 -15.977 9.102 1.00 0.00 C ATOM 182 C GLN C 465 -12.521 -16.932 10.125 1.00 0.00 C ATOM 183 O GLN C 465 -12.269 -18.102 9.832 1.00 0.00 O ATOM 184 CB GLN C 465 -12.067 -15.363 8.197 1.00 0.00 C ATOM 185 CG GLN C 465 -11.404 -16.352 7.244 1.00 0.00 C ATOM 186 CD GLN C 465 -10.099 -16.915 7.776 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.376 -16.250 8.525 1.00 0.00 O ATOM 188 NE2 GLN C 465 -9.785 -18.132 7.391 1.00 0.00 N ATOM 0 H GLN C 465 -13.521 -13.982 9.634 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.826 -16.557 8.482 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.516 -14.560 7.613 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -11.298 -14.910 8.823 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -12.093 -17.174 7.047 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.217 -15.858 6.291 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.410 -18.648 6.771 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -8.917 -18.560 7.712 1.00 0.00 H new ATOM 197 N GLU C 466 -12.281 -16.425 11.320 1.00 0.00 N ATOM 198 CA GLU C 466 -11.742 -17.229 12.398 1.00 0.00 C ATOM 199 C GLU C 466 -12.787 -18.206 12.920 1.00 0.00 C ATOM 200 O GLU C 466 -12.454 -19.299 13.388 1.00 0.00 O ATOM 201 CB GLU C 466 -11.227 -16.331 13.512 1.00 0.00 C ATOM 202 CG GLU C 466 -9.918 -15.649 13.168 1.00 0.00 C ATOM 203 CD GLU C 466 -8.799 -16.638 12.946 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.637 -17.115 11.810 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.072 -16.938 13.910 1.00 0.00 O ATOM 0 H GLU C 466 -12.453 -15.451 11.569 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.907 -17.814 12.013 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.977 -15.573 13.735 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.094 -16.924 14.417 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.050 -15.045 12.270 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.643 -14.967 13.973 1.00 0.00 H new ATOM 212 N MET C 467 -14.047 -17.811 12.832 1.00 0.00 N ATOM 213 CA MET C 467 -15.146 -18.663 13.246 1.00 0.00 C ATOM 214 C MET C 467 -15.581 -19.539 12.085 1.00 0.00 C ATOM 215 O MET C 467 -15.845 -20.726 12.248 1.00 0.00 O ATOM 216 CB MET C 467 -16.337 -17.824 13.708 1.00 0.00 C ATOM 217 CG MET C 467 -16.045 -16.906 14.878 1.00 0.00 C ATOM 218 SD MET C 467 -17.515 -16.018 15.444 1.00 0.00 S ATOM 219 CE MET C 467 -17.990 -15.136 13.955 1.00 0.00 C ATOM 0 H MET C 467 -14.333 -16.899 12.475 1.00 0.00 H new ATOM 0 HA MET C 467 -14.804 -19.283 14.075 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.688 -17.222 12.870 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.152 -18.494 13.983 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.638 -17.491 15.702 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.279 -16.187 14.589 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.894 -14.558 14.147 1.00 0.00 H new ATOM 0 HE2 MET C 467 -17.185 -14.463 13.658 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.180 -15.850 13.154 1.00 0.00 H new ATOM 229 N PHE C 468 -15.649 -18.937 10.911 1.00 0.00 N ATOM 230 CA PHE C 468 -16.074 -19.619 9.710 1.00 0.00 C ATOM 231 C PHE C 468 -14.996 -19.560 8.636 1.00 0.00 C ATOM 232 O PHE C 468 -15.014 -18.684 7.779 1.00 0.00 O ATOM 233 CB PHE C 468 -17.369 -18.996 9.177 1.00 0.00 C ATOM 234 CG PHE C 468 -18.559 -19.231 10.055 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.850 -18.363 11.093 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.384 -20.320 9.846 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.942 -18.577 11.905 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.480 -20.541 10.654 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.760 -19.667 11.687 1.00 0.00 C ATOM 0 H PHE C 468 -15.409 -17.956 10.767 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.253 -20.664 9.963 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.223 -17.922 9.059 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.575 -19.401 8.186 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.214 -17.508 11.268 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.168 -21.006 9.040 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.158 -17.892 12.712 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.118 -21.395 10.480 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.617 -19.836 12.322 1.00 0.00 H new ATOM 249 N PRO C 469 -14.026 -20.485 8.678 1.00 0.00 N ATOM 250 CA PRO C 469 -12.956 -20.550 7.684 1.00 0.00 C ATOM 251 C PRO C 469 -13.459 -21.089 6.343 1.00 0.00 C ATOM 252 O PRO C 469 -12.720 -21.145 5.356 1.00 0.00 O ATOM 253 CB PRO C 469 -11.966 -21.526 8.306 1.00 0.00 C ATOM 254 CG PRO C 469 -12.806 -22.403 9.151 1.00 0.00 C ATOM 255 CD PRO C 469 -13.868 -21.514 9.717 1.00 0.00 C ATOM 0 HA PRO C 469 -12.532 -19.570 7.465 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.436 -22.096 7.543 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.212 -21.006 8.897 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.242 -23.212 8.565 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.218 -22.865 9.944 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.797 -22.056 9.893 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.566 -21.081 10.671 1.00 0.00 H new ATOM 263 N GLN C 470 -14.724 -21.491 6.331 1.00 0.00 N ATOM 264 CA GLN C 470 -15.370 -22.028 5.139 1.00 0.00 C ATOM 265 C GLN C 470 -15.543 -20.954 4.063 1.00 0.00 C ATOM 266 O GLN C 470 -15.570 -21.259 2.871 1.00 0.00 O ATOM 267 CB GLN C 470 -16.733 -22.623 5.505 1.00 0.00 C ATOM 268 CG GLN C 470 -17.678 -21.625 6.162 1.00 0.00 C ATOM 269 CD GLN C 470 -19.039 -22.211 6.483 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.173 -23.407 6.749 1.00 0.00 O ATOM 271 NE2 GLN C 470 -20.056 -21.371 6.465 1.00 0.00 N ATOM 0 H GLN C 470 -15.332 -21.454 7.149 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.728 -22.810 4.734 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.203 -23.016 4.603 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.583 -23.466 6.179 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.223 -21.255 7.081 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.806 -20.767 5.502 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.902 -20.388 6.240 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.997 -21.704 6.676 1.00 0.00 H new ATOM 280 N VAL C 471 -15.647 -19.706 4.490 1.00 0.00 N ATOM 281 CA VAL C 471 -15.857 -18.602 3.574 1.00 0.00 C ATOM 282 C VAL C 471 -14.534 -17.866 3.282 1.00 0.00 C ATOM 283 O VAL C 471 -13.750 -17.592 4.199 1.00 0.00 O ATOM 284 CB VAL C 471 -16.928 -17.612 4.129 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.513 -17.051 5.478 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.219 -16.491 3.139 1.00 0.00 C ATOM 0 H VAL C 471 -15.589 -19.434 5.471 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.229 -19.014 2.636 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.850 -18.177 4.270 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.280 -16.365 5.838 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.393 -17.867 6.190 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.568 -16.518 5.375 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.969 -15.821 3.559 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.304 -15.933 2.942 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.593 -16.916 2.208 1.00 0.00 H new ATOM 296 N PRO C 472 -14.251 -17.582 1.991 1.00 0.00 N ATOM 297 CA PRO C 472 -13.034 -16.874 1.575 1.00 0.00 C ATOM 298 C PRO C 472 -12.913 -15.484 2.203 1.00 0.00 C ATOM 299 O PRO C 472 -13.839 -14.669 2.136 1.00 0.00 O ATOM 300 CB PRO C 472 -13.181 -16.755 0.059 1.00 0.00 C ATOM 301 CG PRO C 472 -14.136 -17.825 -0.314 1.00 0.00 C ATOM 302 CD PRO C 472 -15.082 -17.948 0.838 1.00 0.00 C ATOM 0 HA PRO C 472 -12.138 -17.408 1.891 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.557 -15.772 -0.226 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.223 -16.888 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.668 -17.572 -1.231 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -13.617 -18.766 -0.496 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.938 -17.282 0.730 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.476 -18.960 0.930 1.00 0.00 H new ATOM 310 N TYR C 473 -11.748 -15.228 2.772 1.00 0.00 N ATOM 311 CA TYR C 473 -11.427 -13.988 3.486 1.00 0.00 C ATOM 312 C TYR C 473 -11.760 -12.728 2.660 1.00 0.00 C ATOM 313 O TYR C 473 -12.364 -11.784 3.174 1.00 0.00 O ATOM 314 CB TYR C 473 -9.936 -13.998 3.826 1.00 0.00 C ATOM 315 CG TYR C 473 -9.533 -13.120 4.987 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.252 -11.774 4.813 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.410 -13.653 6.258 1.00 0.00 C ATOM 318 CE1 TYR C 473 -8.856 -10.989 5.878 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.024 -12.877 7.325 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.745 -11.551 7.131 1.00 0.00 C ATOM 321 OH TYR C 473 -8.343 -10.783 8.198 1.00 0.00 O ATOM 0 H TYR C 473 -10.973 -15.890 2.754 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.037 -13.948 4.389 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.637 -15.023 4.046 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.377 -13.685 2.944 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -9.344 -11.333 3.831 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.622 -14.700 6.415 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -8.635 -9.942 5.730 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.941 -13.311 8.311 1.00 0.00 H new ATOM 0 HH TYR C 473 -7.980 -9.934 7.871 1.00 0.00 H new ATOM 331 N HIS C 474 -11.372 -12.729 1.385 1.00 0.00 N ATOM 332 CA HIS C 474 -11.580 -11.551 0.515 1.00 0.00 C ATOM 333 C HIS C 474 -13.061 -11.260 0.336 1.00 0.00 C ATOM 334 O HIS C 474 -13.476 -10.102 0.320 1.00 0.00 O ATOM 335 CB HIS C 474 -10.953 -11.748 -0.879 1.00 0.00 C ATOM 336 CG HIS C 474 -9.606 -12.412 -0.903 1.00 0.00 C ATOM 337 ND1 HIS C 474 -8.544 -12.026 -0.117 1.00 0.00 N ATOM 338 CD2 HIS C 474 -9.168 -13.462 -1.629 1.00 0.00 C ATOM 339 CE1 HIS C 474 -7.511 -12.812 -0.357 1.00 0.00 C ATOM 340 NE2 HIS C 474 -7.863 -13.694 -1.271 1.00 0.00 N ATOM 0 H HIS C 474 -10.916 -13.518 0.927 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.092 -10.713 1.012 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.639 -12.340 -1.485 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.865 -10.773 -1.358 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -9.739 -14.018 -2.358 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -6.542 -12.744 0.115 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -7.265 -14.428 -1.650 1.00 0.00 H new ATOM 349 N LEU C 475 -13.856 -12.311 0.209 1.00 0.00 N ATOM 350 CA LEU C 475 -15.283 -12.155 -0.014 1.00 0.00 C ATOM 351 C LEU C 475 -15.976 -11.694 1.255 1.00 0.00 C ATOM 352 O LEU C 475 -16.965 -10.961 1.196 1.00 0.00 O ATOM 353 CB LEU C 475 -15.896 -13.455 -0.526 1.00 0.00 C ATOM 354 CG LEU C 475 -15.206 -14.091 -1.743 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.078 -15.175 -2.339 1.00 0.00 C ATOM 356 CD2 LEU C 475 -14.838 -13.049 -2.793 1.00 0.00 C ATOM 0 H LEU C 475 -13.537 -13.279 0.257 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.428 -11.390 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.894 -14.180 0.288 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -16.939 -13.266 -0.782 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.276 -14.543 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -15.574 -15.615 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.260 -15.947 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.028 -14.745 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -14.352 -13.539 -3.637 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -15.741 -12.544 -3.137 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -14.157 -12.318 -2.357 1.00 0.00 H new ATOM 368 N VAL C 476 -15.457 -12.119 2.401 1.00 0.00 N ATOM 369 CA VAL C 476 -15.975 -11.652 3.680 1.00 0.00 C ATOM 370 C VAL C 476 -15.773 -10.146 3.754 1.00 0.00 C ATOM 371 O VAL C 476 -16.688 -9.394 4.069 1.00 0.00 O ATOM 372 CB VAL C 476 -15.254 -12.323 4.878 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.884 -11.900 6.195 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.278 -13.830 4.747 1.00 0.00 C ATOM 0 H VAL C 476 -14.684 -12.781 2.471 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.031 -11.914 3.743 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.215 -11.992 4.869 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.361 -12.384 7.020 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.810 -10.818 6.303 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.933 -12.195 6.208 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.766 -14.277 5.599 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.311 -14.177 4.721 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.774 -14.123 3.826 1.00 0.00 H new ATOM 384 N LEU C 477 -14.561 -9.722 3.407 1.00 0.00 N ATOM 385 CA LEU C 477 -14.197 -8.310 3.353 1.00 0.00 C ATOM 386 C LEU C 477 -15.119 -7.540 2.409 1.00 0.00 C ATOM 387 O LEU C 477 -15.386 -6.355 2.611 1.00 0.00 O ATOM 388 CB LEU C 477 -12.744 -8.186 2.889 1.00 0.00 C ATOM 389 CG LEU C 477 -11.685 -8.345 3.972 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.303 -8.441 3.358 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.748 -7.180 4.944 1.00 0.00 C ATOM 0 H LEU C 477 -13.800 -10.352 3.154 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.306 -7.879 4.348 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.564 -8.936 2.118 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.614 -7.210 2.421 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.885 -9.268 4.516 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.561 -8.554 4.148 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.259 -9.304 2.693 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.093 -7.534 2.790 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.986 -7.306 5.713 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.571 -6.248 4.407 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.733 -7.148 5.411 1.00 0.00 H new ATOM 403 N GLN C 478 -15.593 -8.218 1.379 1.00 0.00 N ATOM 404 CA GLN C 478 -16.512 -7.619 0.428 1.00 0.00 C ATOM 405 C GLN C 478 -17.864 -7.336 1.078 1.00 0.00 C ATOM 406 O GLN C 478 -18.403 -6.237 0.951 1.00 0.00 O ATOM 407 CB GLN C 478 -16.691 -8.523 -0.791 1.00 0.00 C ATOM 408 CG GLN C 478 -15.483 -8.573 -1.707 1.00 0.00 C ATOM 409 CD GLN C 478 -15.766 -9.305 -3.006 1.00 0.00 C ATOM 410 OE1 GLN C 478 -15.175 -9.003 -4.039 1.00 0.00 O ATOM 411 NE2 GLN C 478 -16.678 -10.257 -2.965 1.00 0.00 N ATOM 0 H GLN C 478 -15.355 -9.189 1.179 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.084 -6.672 0.100 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.918 -9.533 -0.451 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.553 -8.178 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -15.158 -7.557 -1.930 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -14.659 -9.064 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -17.146 -10.477 -2.086 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -16.915 -10.773 -3.812 1.00 0.00 H new ATOM 420 N ASP C 479 -18.397 -8.321 1.798 1.00 0.00 N ATOM 421 CA ASP C 479 -19.695 -8.161 2.466 1.00 0.00 C ATOM 422 C ASP C 479 -19.598 -7.130 3.576 1.00 0.00 C ATOM 423 O ASP C 479 -20.564 -6.469 3.900 1.00 0.00 O ATOM 424 CB ASP C 479 -20.192 -9.490 3.037 1.00 0.00 C ATOM 425 CG ASP C 479 -21.644 -9.419 3.514 1.00 0.00 C ATOM 426 OD1 ASP C 479 -21.886 -9.019 4.679 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.546 -9.768 2.721 1.00 0.00 O ATOM 0 H ASP C 479 -17.958 -9.232 1.936 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.411 -7.818 1.719 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.101 -10.265 2.276 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.554 -9.785 3.870 1.00 0.00 H new ATOM 432 N LEU C 480 -18.419 -6.982 4.142 1.00 0.00 N ATOM 433 CA LEU C 480 -18.204 -6.003 5.193 1.00 0.00 C ATOM 434 C LEU C 480 -18.244 -4.574 4.658 1.00 0.00 C ATOM 435 O LEU C 480 -18.393 -3.633 5.418 1.00 0.00 O ATOM 436 CB LEU C 480 -16.910 -6.268 5.966 1.00 0.00 C ATOM 437 CG LEU C 480 -17.062 -7.093 7.247 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.271 -6.642 8.047 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.175 -8.546 6.926 1.00 0.00 C ATOM 0 H LEU C 480 -17.593 -7.526 3.894 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.031 -6.113 5.894 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.212 -6.782 5.305 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.459 -5.310 6.224 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.170 -6.934 7.853 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.355 -7.245 8.951 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.156 -5.593 8.320 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.172 -6.764 7.445 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.282 -9.115 7.849 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.047 -8.712 6.294 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.278 -8.873 6.400 1.00 0.00 H new ATOM 451 N GLN C 481 -18.092 -4.418 3.357 1.00 0.00 N ATOM 452 CA GLN C 481 -18.252 -3.114 2.729 1.00 0.00 C ATOM 453 C GLN C 481 -19.693 -2.950 2.314 1.00 0.00 C ATOM 454 O GLN C 481 -20.191 -1.847 2.116 1.00 0.00 O ATOM 455 CB GLN C 481 -17.350 -2.988 1.512 1.00 0.00 C ATOM 456 CG GLN C 481 -15.935 -2.568 1.836 1.00 0.00 C ATOM 457 CD GLN C 481 -15.837 -1.117 2.291 1.00 0.00 C ATOM 458 OE1 GLN C 481 -16.762 -0.568 2.898 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.718 -0.490 2.004 1.00 0.00 N ATOM 0 H GLN C 481 -17.859 -5.174 2.713 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.974 -2.337 3.441 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.324 -3.945 0.991 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.785 -2.263 0.824 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.539 -3.216 2.618 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.308 -2.711 0.956 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.976 -0.976 1.501 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -14.592 0.483 2.284 1.00 0.00 H new ATOM 468 N LEU C 482 -20.339 -4.073 2.206 1.00 0.00 N ATOM 469 CA LEU C 482 -21.688 -4.178 1.778 1.00 0.00 C ATOM 470 C LEU C 482 -22.656 -3.952 2.945 1.00 0.00 C ATOM 471 O LEU C 482 -23.576 -3.138 2.852 1.00 0.00 O ATOM 472 CB LEU C 482 -21.852 -5.560 1.208 1.00 0.00 C ATOM 473 CG LEU C 482 -23.204 -5.933 0.702 1.00 0.00 C ATOM 474 CD1 LEU C 482 -23.631 -5.000 -0.412 1.00 0.00 C ATOM 475 CD2 LEU C 482 -23.157 -7.350 0.219 1.00 0.00 C ATOM 0 H LEU C 482 -19.915 -4.975 2.425 1.00 0.00 H new ATOM 0 HA LEU C 482 -21.917 -3.417 1.032 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -21.142 -5.674 0.389 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -21.569 -6.278 1.977 1.00 0.00 H new ATOM 0 HG LEU C 482 -23.937 -5.844 1.504 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -24.620 -5.288 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -23.664 -3.977 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.917 -5.063 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -24.139 -7.640 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.423 -7.437 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -22.874 -8.006 1.042 1.00 0.00 H new ATOM 487 N THR C 483 -22.440 -4.669 4.035 1.00 0.00 N ATOM 488 CA THR C 483 -23.293 -4.561 5.196 1.00 0.00 C ATOM 489 C THR C 483 -22.622 -3.756 6.299 1.00 0.00 C ATOM 490 O THR C 483 -23.292 -3.036 7.047 1.00 0.00 O ATOM 491 CB THR C 483 -23.661 -5.952 5.735 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.466 -6.695 6.007 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.511 -6.708 4.731 1.00 0.00 C ATOM 0 H THR C 483 -21.674 -5.335 4.136 1.00 0.00 H new ATOM 0 HA THR C 483 -24.201 -4.044 4.884 1.00 0.00 H new ATOM 0 HB THR C 483 -24.234 -5.828 6.654 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.439 -7.491 5.436 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.761 -7.690 5.132 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.428 -6.151 4.538 1.00 0.00 H new ATOM 0 HG23 THR C 483 -23.956 -6.826 3.800 1.00 0.00 H new ATOM 501 N ARG C 484 -21.286 -3.884 6.397 1.00 0.00 N ATOM 502 CA ARG C 484 -20.495 -3.186 7.412 1.00 0.00 C ATOM 503 C ARG C 484 -20.835 -3.675 8.818 1.00 0.00 C ATOM 504 O ARG C 484 -20.564 -3.000 9.809 1.00 0.00 O ATOM 505 CB ARG C 484 -20.687 -1.681 7.294 1.00 0.00 C ATOM 506 CG ARG C 484 -19.982 -1.072 6.097 1.00 0.00 C ATOM 507 CD ARG C 484 -20.685 0.176 5.615 1.00 0.00 C ATOM 508 NE ARG C 484 -20.883 1.152 6.682 1.00 0.00 N ATOM 509 CZ ARG C 484 -22.016 1.830 6.873 1.00 0.00 C ATOM 510 NH1 ARG C 484 -23.066 1.617 6.083 1.00 0.00 N ATOM 511 NH2 ARG C 484 -22.103 2.713 7.857 1.00 0.00 N ATOM 0 H ARG C 484 -20.732 -4.473 5.775 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.444 -3.413 7.235 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.753 -1.463 7.227 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -20.320 -1.204 8.203 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.953 -0.831 6.364 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -19.939 -1.802 5.289 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -20.103 0.631 4.814 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -21.652 -0.096 5.191 1.00 0.00 H new ATOM 0 HE ARG C 484 -20.107 1.326 7.321 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -23.006 0.933 5.328 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -23.930 2.137 6.232 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -21.303 2.875 8.469 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -22.970 3.231 8.002 1.00 0.00 H new ATOM 525 N SER C 485 -21.408 -4.863 8.891 1.00 0.00 N ATOM 526 CA SER C 485 -21.785 -5.451 10.153 1.00 0.00 C ATOM 527 C SER C 485 -21.419 -6.924 10.159 1.00 0.00 C ATOM 528 O SER C 485 -22.021 -7.712 9.430 1.00 0.00 O ATOM 529 CB SER C 485 -23.285 -5.288 10.376 1.00 0.00 C ATOM 530 OG SER C 485 -23.637 -5.529 11.732 1.00 0.00 O ATOM 0 H SER C 485 -21.622 -5.441 8.078 1.00 0.00 H new ATOM 0 HA SER C 485 -21.251 -4.945 10.957 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.589 -4.280 10.093 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.828 -5.978 9.730 1.00 0.00 H new ATOM 0 HG SER C 485 -24.604 -5.415 11.844 1.00 0.00 H new ATOM 536 N VAL C 486 -20.440 -7.303 10.983 1.00 0.00 N ATOM 537 CA VAL C 486 -19.993 -8.684 11.036 1.00 0.00 C ATOM 538 C VAL C 486 -21.117 -9.616 11.474 1.00 0.00 C ATOM 539 O VAL C 486 -21.159 -10.780 11.074 1.00 0.00 O ATOM 540 CB VAL C 486 -18.757 -8.881 11.947 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.613 -8.000 11.499 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.080 -8.635 13.407 1.00 0.00 C ATOM 0 H VAL C 486 -19.948 -6.673 11.616 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.694 -8.941 10.020 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.452 -9.923 11.853 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.756 -8.156 12.154 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.338 -8.253 10.475 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.919 -6.955 11.544 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.183 -8.785 14.008 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.435 -7.612 13.534 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.854 -9.331 13.731 1.00 0.00 H new ATOM 552 N GLU C 487 -22.034 -9.097 12.283 1.00 0.00 N ATOM 553 CA GLU C 487 -23.169 -9.875 12.725 1.00 0.00 C ATOM 554 C GLU C 487 -24.053 -10.233 11.542 1.00 0.00 C ATOM 555 O GLU C 487 -24.527 -11.367 11.432 1.00 0.00 O ATOM 556 CB GLU C 487 -23.962 -9.129 13.793 1.00 0.00 C ATOM 557 CG GLU C 487 -23.219 -8.994 15.110 1.00 0.00 C ATOM 558 CD GLU C 487 -22.866 -10.338 15.716 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.715 -10.916 16.426 1.00 0.00 O ATOM 560 OE2 GLU C 487 -21.732 -10.827 15.489 1.00 0.00 O ATOM 0 H GLU C 487 -22.008 -8.142 12.641 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.800 -10.798 13.173 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.212 -8.135 13.422 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.903 -9.650 13.967 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.307 -8.419 14.952 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.832 -8.431 15.814 1.00 0.00 H new ATOM 567 N ILE C 488 -24.252 -9.273 10.640 1.00 0.00 N ATOM 568 CA ILE C 488 -25.029 -9.527 9.443 1.00 0.00 C ATOM 569 C ILE C 488 -24.256 -10.449 8.531 1.00 0.00 C ATOM 570 O ILE C 488 -24.756 -11.451 8.134 1.00 0.00 O ATOM 571 CB ILE C 488 -25.373 -8.237 8.667 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.076 -7.229 9.577 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.257 -8.567 7.467 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.442 -5.930 8.884 1.00 0.00 C ATOM 0 H ILE C 488 -23.887 -8.324 10.720 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.967 -9.981 9.762 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.444 -7.790 8.312 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.982 -7.685 9.977 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.429 -7.007 10.426 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.494 -7.651 6.927 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.730 -9.253 6.804 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.180 -9.033 7.812 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.937 -5.266 9.593 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.538 -5.451 8.508 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.115 -6.138 8.052 1.00 0.00 H new ATOM 586 N THR C 489 -23.016 -10.079 8.226 1.00 0.00 N ATOM 587 CA THR C 489 -22.122 -10.866 7.384 1.00 0.00 C ATOM 588 C THR C 489 -22.094 -12.351 7.789 1.00 0.00 C ATOM 589 O THR C 489 -22.199 -13.228 6.937 1.00 0.00 O ATOM 590 CB THR C 489 -20.698 -10.287 7.444 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.747 -8.889 7.154 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.776 -10.967 6.444 1.00 0.00 C ATOM 0 H THR C 489 -22.598 -9.211 8.562 1.00 0.00 H new ATOM 0 HA THR C 489 -22.505 -10.810 6.365 1.00 0.00 H new ATOM 0 HB THR C 489 -20.304 -10.460 8.446 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.006 -8.758 6.218 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.779 -10.532 6.515 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.724 -12.033 6.664 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.164 -10.823 5.435 1.00 0.00 H new ATOM 600 N THR C 490 -21.972 -12.627 9.085 1.00 0.00 N ATOM 601 CA THR C 490 -21.952 -14.003 9.557 1.00 0.00 C ATOM 602 C THR C 490 -23.304 -14.671 9.299 1.00 0.00 C ATOM 603 O THR C 490 -23.368 -15.788 8.779 1.00 0.00 O ATOM 604 CB THR C 490 -21.604 -14.089 11.054 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.417 -13.323 11.319 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.361 -15.531 11.454 1.00 0.00 C ATOM 0 H THR C 490 -21.887 -11.923 9.818 1.00 0.00 H new ATOM 0 HA THR C 490 -21.175 -14.528 9.002 1.00 0.00 H new ATOM 0 HB THR C 490 -22.439 -13.691 11.630 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.655 -12.379 11.433 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.116 -15.578 12.515 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.259 -16.118 11.263 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.533 -15.935 10.872 1.00 0.00 H new ATOM 614 N ASP C 491 -24.379 -13.967 9.641 1.00 0.00 N ATOM 615 CA ASP C 491 -25.741 -14.453 9.386 1.00 0.00 C ATOM 616 C ASP C 491 -25.943 -14.606 7.891 1.00 0.00 C ATOM 617 O ASP C 491 -26.570 -15.548 7.420 1.00 0.00 O ATOM 618 CB ASP C 491 -26.765 -13.462 9.955 1.00 0.00 C ATOM 619 CG ASP C 491 -28.190 -13.781 9.549 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.791 -14.697 10.150 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.722 -13.103 8.638 1.00 0.00 O ATOM 0 H ASP C 491 -24.338 -13.055 10.097 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.881 -15.418 9.873 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.695 -13.461 11.043 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.514 -12.456 9.618 1.00 0.00 H new ATOM 626 N ASN C 492 -25.377 -13.669 7.166 1.00 0.00 N ATOM 627 CA ASN C 492 -25.401 -13.642 5.730 1.00 0.00 C ATOM 628 C ASN C 492 -24.828 -14.932 5.166 1.00 0.00 C ATOM 629 O ASN C 492 -25.452 -15.586 4.335 1.00 0.00 O ATOM 630 CB ASN C 492 -24.620 -12.416 5.215 1.00 0.00 C ATOM 631 CG ASN C 492 -25.506 -11.217 4.990 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.724 -11.347 4.848 1.00 0.00 O ATOM 633 ND2 ASN C 492 -24.906 -10.049 4.918 1.00 0.00 N ATOM 0 H ASN C 492 -24.873 -12.883 7.576 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.434 -13.559 5.392 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.841 -12.158 5.933 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.120 -12.674 4.281 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.451 -9.206 4.739 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -23.895 -9.986 5.042 1.00 0.00 H new ATOM 640 N ILE C 493 -23.650 -15.309 5.644 1.00 0.00 N ATOM 641 CA ILE C 493 -23.007 -16.555 5.231 1.00 0.00 C ATOM 642 C ILE C 493 -23.944 -17.734 5.489 1.00 0.00 C ATOM 643 O ILE C 493 -24.184 -18.572 4.616 1.00 0.00 O ATOM 644 CB ILE C 493 -21.710 -16.806 6.042 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.739 -15.649 5.902 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.044 -18.102 5.610 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.609 -15.700 6.907 1.00 0.00 C ATOM 0 H ILE C 493 -23.115 -14.768 6.323 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.771 -16.467 4.170 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.992 -16.890 7.092 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.322 -15.652 4.895 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.281 -14.711 6.020 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.136 -18.256 6.193 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.727 -18.935 5.775 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.790 -18.045 4.551 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.949 -14.846 6.756 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.018 -15.668 7.917 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.045 -16.623 6.774 1.00 0.00 H new ATOM 659 N LEU C 494 -24.478 -17.762 6.693 1.00 0.00 N ATOM 660 CA LEU C 494 -25.342 -18.829 7.161 1.00 0.00 C ATOM 661 C LEU C 494 -26.634 -18.931 6.346 1.00 0.00 C ATOM 662 O LEU C 494 -27.132 -20.024 6.102 1.00 0.00 O ATOM 663 CB LEU C 494 -25.641 -18.611 8.642 1.00 0.00 C ATOM 664 CG LEU C 494 -24.411 -18.658 9.555 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.748 -18.172 10.952 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.839 -20.065 9.602 1.00 0.00 C ATOM 0 H LEU C 494 -24.321 -17.031 7.387 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.823 -19.778 7.026 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.129 -17.644 8.762 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.351 -19.370 8.971 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.657 -17.989 9.141 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.857 -18.216 11.578 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.106 -17.144 10.903 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.524 -18.806 11.381 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.966 -20.081 10.255 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.593 -20.752 9.987 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.547 -20.373 8.598 1.00 0.00 H new ATOM 678 N GLU C 495 -27.161 -17.803 5.916 1.00 0.00 N ATOM 679 CA GLU C 495 -28.391 -17.797 5.136 1.00 0.00 C ATOM 680 C GLU C 495 -28.125 -18.000 3.648 1.00 0.00 C ATOM 681 O GLU C 495 -29.050 -17.979 2.833 1.00 0.00 O ATOM 682 CB GLU C 495 -29.163 -16.511 5.372 1.00 0.00 C ATOM 683 CG GLU C 495 -29.690 -16.388 6.787 1.00 0.00 C ATOM 684 CD GLU C 495 -30.553 -17.567 7.183 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.612 -17.769 6.554 1.00 0.00 O ATOM 686 OE2 GLU C 495 -30.182 -18.299 8.130 1.00 0.00 O ATOM 0 H GLU C 495 -26.763 -16.880 6.090 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.996 -18.638 5.473 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.516 -15.661 5.156 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.998 -16.462 4.674 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.852 -16.306 7.479 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -30.270 -15.469 6.878 1.00 0.00 H new ATOM 693 N GLY C 496 -26.867 -18.190 3.296 1.00 0.00 N ATOM 694 CA GLY C 496 -26.513 -18.436 1.909 1.00 0.00 C ATOM 695 C GLY C 496 -26.413 -17.166 1.097 1.00 0.00 C ATOM 696 O GLY C 496 -26.501 -17.196 -0.129 1.00 0.00 O ATOM 0 H GLY C 496 -26.079 -18.179 3.944 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.560 -18.963 1.870 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.258 -19.092 1.459 1.00 0.00 H new ATOM 700 N ARG C 497 -26.229 -16.050 1.781 1.00 0.00 N ATOM 701 CA ARG C 497 -26.086 -14.758 1.124 1.00 0.00 C ATOM 702 C ARG C 497 -24.780 -14.712 0.365 1.00 0.00 C ATOM 703 O ARG C 497 -24.688 -14.126 -0.712 1.00 0.00 O ATOM 704 CB ARG C 497 -26.116 -13.637 2.158 1.00 0.00 C ATOM 705 CG ARG C 497 -25.944 -12.229 1.584 1.00 0.00 C ATOM 706 CD ARG C 497 -27.189 -11.748 0.837 1.00 0.00 C ATOM 707 NE ARG C 497 -27.471 -12.534 -0.373 1.00 0.00 N ATOM 708 CZ ARG C 497 -28.625 -13.176 -0.602 1.00 0.00 C ATOM 709 NH1 ARG C 497 -29.594 -13.157 0.311 1.00 0.00 N ATOM 710 NH2 ARG C 497 -28.801 -13.839 -1.736 1.00 0.00 N ATOM 0 H ARG C 497 -26.175 -16.011 2.799 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.914 -14.623 0.428 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -27.064 -13.682 2.694 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -25.327 -13.815 2.889 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.718 -11.535 2.393 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -25.090 -12.217 0.907 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -28.049 -11.798 1.505 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.059 -10.701 0.562 1.00 0.00 H new ATOM 0 HE ARG C 497 -26.742 -12.595 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -29.459 -12.653 1.187 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -30.471 -13.646 0.134 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -28.058 -13.861 -2.435 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -29.679 -14.328 -1.910 1.00 0.00 H new ATOM 724 N ILE C 498 -23.772 -15.332 0.938 1.00 0.00 N ATOM 725 CA ILE C 498 -22.472 -15.392 0.325 1.00 0.00 C ATOM 726 C ILE C 498 -22.229 -16.792 -0.198 1.00 0.00 C ATOM 727 O ILE C 498 -21.895 -17.701 0.565 1.00 0.00 O ATOM 728 CB ILE C 498 -21.352 -15.004 1.324 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.652 -13.636 1.945 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.994 -14.985 0.622 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.700 -13.237 3.051 1.00 0.00 C ATOM 0 H ILE C 498 -23.834 -15.806 1.839 1.00 0.00 H new ATOM 0 HA ILE C 498 -22.449 -14.676 -0.496 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.318 -15.749 2.119 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -21.620 -12.879 1.162 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.668 -13.643 2.340 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -19.219 -14.711 1.337 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.780 -15.974 0.216 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -20.014 -14.257 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.981 -12.257 3.437 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.748 -13.971 3.855 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.684 -13.195 2.659 1.00 0.00 H new