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 467 MET CE :methyl -173:sc= -0.494 (180deg=-0.523) USER MOD Set 1.2: C 490 THR OG1 : rot 96:sc= 1.28 USER MOD Set 2.1: C 483 THR OG1 : rot -120:sc= 1.19 USER MOD Set 2.2: C 489 THR OG1 : rot -65:sc= 1.29 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 -25:sc= 0.339 USER MOD Set 4.1: C 462 HIS : no HD1:sc= 0 X(o=-0.19,f=-0.19) USER MOD Set 4.2: C 463 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.55) USER MOD Single : C 456 GLN : amide:sc= -0.308 K(o=-0.31,f=-0.85) USER MOD Single : C 460 MET CE :methyl 162:sc= -2.45 (180deg=-3.49!) USER MOD Single : C 465 GLN : amide:sc=-0.00983 K(o=-0.0098,f=-0.74) USER MOD Single : C 470 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.92) USER MOD Single : C 474 HIS : no HD1:sc=-0.00458 X(o=-0.0046,f=-0.0046) USER MOD Single : C 478 GLN :FLIP amide:sc=-0.00774 F(o=-1.1,f=-0.0077) USER MOD Single : C 481 GLN : amide:sc= -0.301 K(o=-0.3,f=-1.2) USER MOD Single : C 485 SER OG : rot -8:sc= 0.344 USER MOD Single : C 492 ASN : amide:sc= -2.4! C(o=-2.4!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.373 -1.427 8.635 1.00 0.00 N ATOM 40 CA GLN C 456 -11.089 -1.996 9.769 1.00 0.00 C ATOM 41 C GLN C 456 -11.897 -3.205 9.355 1.00 0.00 C ATOM 42 O GLN C 456 -12.254 -4.040 10.190 1.00 0.00 O ATOM 43 CB GLN C 456 -11.982 -0.956 10.438 1.00 0.00 C ATOM 44 CG GLN C 456 -11.217 0.007 11.320 1.00 0.00 C ATOM 45 CD GLN C 456 -10.556 -0.696 12.490 1.00 0.00 C ATOM 46 OE1 GLN C 456 -9.424 -1.163 12.393 1.00 0.00 O ATOM 47 NE2 GLN C 456 -11.259 -0.778 13.598 1.00 0.00 N ATOM 0 HA GLN C 456 -10.344 -2.319 10.496 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.511 -0.393 9.670 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.737 -1.466 11.037 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -10.457 0.516 10.727 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -11.896 0.773 11.694 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -12.196 -0.377 13.638 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -10.867 -1.242 14.417 1.00 0.00 H new ATOM 56 N LEU C 457 -12.167 -3.315 8.069 1.00 0.00 N ATOM 57 CA LEU C 457 -12.929 -4.434 7.561 1.00 0.00 C ATOM 58 C LEU C 457 -12.093 -5.698 7.604 1.00 0.00 C ATOM 59 O LEU C 457 -12.601 -6.774 7.892 1.00 0.00 O ATOM 60 CB LEU C 457 -13.421 -4.166 6.141 1.00 0.00 C ATOM 61 CG LEU C 457 -14.227 -2.879 5.947 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.894 -2.876 4.597 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.256 -2.705 7.050 1.00 0.00 C ATOM 0 H LEU C 457 -11.870 -2.644 7.360 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.804 -4.568 8.198 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.557 -4.135 5.477 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -14.036 -5.009 5.825 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.536 -2.037 5.997 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.463 -1.954 4.474 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -14.136 -2.941 3.816 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.567 -3.730 4.522 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.813 -1.783 6.886 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.944 -3.551 7.043 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -14.751 -2.657 8.015 1.00 0.00 H new ATOM 75 N ASN C 458 -10.799 -5.547 7.333 1.00 0.00 N ATOM 76 CA ASN C 458 -9.851 -6.659 7.385 1.00 0.00 C ATOM 77 C ASN C 458 -9.818 -7.229 8.797 1.00 0.00 C ATOM 78 O ASN C 458 -9.790 -8.440 9.001 1.00 0.00 O ATOM 79 CB ASN C 458 -8.449 -6.168 6.977 1.00 0.00 C ATOM 80 CG ASN C 458 -7.450 -7.297 6.755 1.00 0.00 C ATOM 81 OD1 ASN C 458 -7.306 -7.804 5.639 1.00 0.00 O ATOM 82 ND2 ASN C 458 -6.744 -7.685 7.801 1.00 0.00 N ATOM 0 H ASN C 458 -10.379 -4.655 7.072 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.165 -7.439 6.691 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.530 -5.581 6.062 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.067 -5.502 7.751 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.052 -8.427 7.702 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.891 -7.242 8.708 1.00 0.00 H new ATOM 89 N ALA C 459 -9.851 -6.336 9.770 1.00 0.00 N ATOM 90 CA ALA C 459 -9.852 -6.727 11.166 1.00 0.00 C ATOM 91 C ALA C 459 -11.158 -7.428 11.528 1.00 0.00 C ATOM 92 O ALA C 459 -11.153 -8.428 12.231 1.00 0.00 O ATOM 93 CB ALA C 459 -9.634 -5.511 12.054 1.00 0.00 C ATOM 0 H ALA C 459 -9.878 -5.328 9.616 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.033 -7.428 11.329 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.637 -5.819 13.100 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.675 -5.052 11.814 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.434 -4.790 11.886 1.00 0.00 H new ATOM 99 N MET C 460 -12.276 -6.905 11.034 1.00 0.00 N ATOM 100 CA MET C 460 -13.574 -7.497 11.325 1.00 0.00 C ATOM 101 C MET C 460 -13.735 -8.858 10.662 1.00 0.00 C ATOM 102 O MET C 460 -14.181 -9.817 11.301 1.00 0.00 O ATOM 103 CB MET C 460 -14.711 -6.570 10.910 1.00 0.00 C ATOM 104 CG MET C 460 -14.781 -5.291 11.725 1.00 0.00 C ATOM 105 SD MET C 460 -16.414 -4.531 11.703 1.00 0.00 S ATOM 106 CE MET C 460 -16.585 -4.140 9.972 1.00 0.00 C ATOM 0 H MET C 460 -12.308 -6.080 10.436 1.00 0.00 H new ATOM 0 HA MET C 460 -13.622 -7.641 12.404 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.594 -6.314 9.857 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.657 -7.104 11.005 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.501 -5.508 12.756 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.050 -4.580 11.339 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.636 -3.966 9.740 1.00 0.00 H new ATOM 0 HE2 MET C 460 -16.010 -3.243 9.743 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.214 -4.972 9.373 1.00 0.00 H new ATOM 116 N ALA C 461 -13.368 -8.943 9.390 1.00 0.00 N ATOM 117 CA ALA C 461 -13.456 -10.193 8.649 1.00 0.00 C ATOM 118 C ALA C 461 -12.579 -11.256 9.293 1.00 0.00 C ATOM 119 O ALA C 461 -12.925 -12.436 9.300 1.00 0.00 O ATOM 120 CB ALA C 461 -13.057 -9.979 7.199 1.00 0.00 C ATOM 0 H ALA C 461 -13.005 -8.158 8.849 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.490 -10.538 8.674 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.128 -10.923 6.659 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.724 -9.248 6.742 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.032 -9.612 7.154 1.00 0.00 H new ATOM 126 N HIS C 462 -11.452 -10.823 9.850 1.00 0.00 N ATOM 127 CA HIS C 462 -10.533 -11.717 10.540 1.00 0.00 C ATOM 128 C HIS C 462 -11.231 -12.438 11.690 1.00 0.00 C ATOM 129 O HIS C 462 -11.022 -13.626 11.897 1.00 0.00 O ATOM 130 CB HIS C 462 -9.309 -10.941 11.044 1.00 0.00 C ATOM 131 CG HIS C 462 -8.320 -11.777 11.803 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.638 -12.844 11.248 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.910 -11.699 13.085 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.859 -13.386 12.165 1.00 0.00 C ATOM 135 NE2 HIS C 462 -7.005 -12.711 13.284 1.00 0.00 N ATOM 0 H HIS C 462 -11.153 -9.848 9.835 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.194 -12.472 9.831 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -8.805 -10.486 10.191 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.648 -10.127 11.685 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.233 -10.975 13.818 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.212 -14.239 12.021 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.522 -12.908 14.161 1.00 0.00 H new ATOM 144 N GLN C 463 -12.075 -11.721 12.415 1.00 0.00 N ATOM 145 CA GLN C 463 -12.796 -12.307 13.539 1.00 0.00 C ATOM 146 C GLN C 463 -13.928 -13.212 13.078 1.00 0.00 C ATOM 147 O GLN C 463 -14.307 -14.148 13.784 1.00 0.00 O ATOM 148 CB GLN C 463 -13.290 -11.225 14.499 1.00 0.00 C ATOM 149 CG GLN C 463 -12.367 -11.033 15.694 1.00 0.00 C ATOM 150 CD GLN C 463 -10.926 -10.771 15.289 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.652 -10.112 14.292 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.002 -11.315 16.036 1.00 0.00 N ATOM 0 H GLN C 463 -12.279 -10.736 12.248 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.094 -12.937 14.085 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.381 -10.282 13.961 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.287 -11.487 14.854 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.728 -10.199 16.296 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.407 -11.921 16.324 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.265 -11.857 16.859 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.018 -11.197 15.796 1.00 0.00 H new ATOM 161 N ILE C 464 -14.467 -12.943 11.900 1.00 0.00 N ATOM 162 CA ILE C 464 -15.471 -13.821 11.329 1.00 0.00 C ATOM 163 C ILE C 464 -14.802 -15.102 10.867 1.00 0.00 C ATOM 164 O ILE C 464 -15.325 -16.191 11.063 1.00 0.00 O ATOM 165 CB ILE C 464 -16.206 -13.173 10.138 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.932 -11.904 10.585 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.194 -14.162 9.518 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.598 -11.164 9.448 1.00 0.00 C ATOM 0 H ILE C 464 -14.229 -12.133 11.327 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.213 -14.026 12.101 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.468 -12.902 9.383 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.685 -12.167 11.328 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.220 -11.239 11.074 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.704 -13.689 8.679 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.655 -15.042 9.166 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.928 -14.461 10.267 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.095 -10.274 9.835 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.846 -10.871 8.715 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.334 -11.813 8.973 1.00 0.00 H new ATOM 180 N GLN C 465 -13.614 -14.958 10.282 1.00 0.00 N ATOM 181 CA GLN C 465 -12.825 -16.096 9.809 1.00 0.00 C ATOM 182 C GLN C 465 -12.434 -16.992 10.983 1.00 0.00 C ATOM 183 O GLN C 465 -12.173 -18.183 10.818 1.00 0.00 O ATOM 184 CB GLN C 465 -11.567 -15.603 9.102 1.00 0.00 C ATOM 185 CG GLN C 465 -10.839 -16.682 8.321 1.00 0.00 C ATOM 186 CD GLN C 465 -9.498 -16.216 7.803 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.289 -15.034 7.558 1.00 0.00 O ATOM 188 NE2 GLN C 465 -8.584 -17.143 7.623 1.00 0.00 N ATOM 0 H GLN C 465 -13.172 -14.053 10.123 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.430 -16.671 9.108 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.837 -14.795 8.422 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.887 -15.182 9.843 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.695 -17.554 8.959 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.459 -17.000 7.482 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -8.796 -18.117 7.839 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -7.662 -16.888 7.268 1.00 0.00 H new ATOM 197 N GLU C 466 -12.388 -16.401 12.165 1.00 0.00 N ATOM 198 CA GLU C 466 -12.089 -17.127 13.381 1.00 0.00 C ATOM 199 C GLU C 466 -13.223 -18.085 13.715 1.00 0.00 C ATOM 200 O GLU C 466 -13.023 -19.098 14.382 1.00 0.00 O ATOM 201 CB GLU C 466 -11.858 -16.146 14.526 1.00 0.00 C ATOM 202 CG GLU C 466 -10.598 -15.316 14.365 1.00 0.00 C ATOM 203 CD GLU C 466 -9.343 -16.140 14.506 1.00 0.00 C ATOM 204 OE1 GLU C 466 -9.032 -16.934 13.593 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.656 -16.003 15.537 1.00 0.00 O ATOM 0 H GLU C 466 -12.557 -15.405 12.305 1.00 0.00 H new ATOM 0 HA GLU C 466 -11.181 -17.711 13.233 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.716 -15.479 14.601 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.802 -16.700 15.463 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.606 -14.836 13.387 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -10.593 -14.521 15.111 1.00 0.00 H new ATOM 212 N MET C 467 -14.413 -17.750 13.253 1.00 0.00 N ATOM 213 CA MET C 467 -15.578 -18.580 13.457 1.00 0.00 C ATOM 214 C MET C 467 -15.866 -19.412 12.209 1.00 0.00 C ATOM 215 O MET C 467 -16.286 -20.568 12.300 1.00 0.00 O ATOM 216 CB MET C 467 -16.791 -17.714 13.793 1.00 0.00 C ATOM 217 CG MET C 467 -16.630 -16.884 15.055 1.00 0.00 C ATOM 218 SD MET C 467 -18.120 -15.951 15.475 1.00 0.00 S ATOM 219 CE MET C 467 -18.241 -14.844 14.067 1.00 0.00 C ATOM 0 H MET C 467 -14.596 -16.895 12.727 1.00 0.00 H new ATOM 0 HA MET C 467 -15.379 -19.253 14.291 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.991 -17.046 12.955 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.664 -18.357 13.903 1.00 0.00 H new ATOM 0 HG2 MET C 467 -16.372 -17.541 15.886 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.798 -16.192 14.925 1.00 0.00 H new ATOM 0 HE1 MET C 467 -19.039 -14.122 14.240 1.00 0.00 H new ATOM 0 HE2 MET C 467 -17.296 -14.317 13.936 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.462 -15.421 13.169 1.00 0.00 H new ATOM 229 N PHE C 468 -15.634 -18.816 11.044 1.00 0.00 N ATOM 230 CA PHE C 468 -15.898 -19.469 9.775 1.00 0.00 C ATOM 231 C PHE C 468 -14.713 -19.351 8.813 1.00 0.00 C ATOM 232 O PHE C 468 -14.692 -18.476 7.952 1.00 0.00 O ATOM 233 CB PHE C 468 -17.147 -18.872 9.118 1.00 0.00 C ATOM 234 CG PHE C 468 -18.419 -19.159 9.854 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.846 -18.327 10.870 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.186 -20.262 9.529 1.00 0.00 C ATOM 237 CE1 PHE C 468 -20.014 -18.590 11.552 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.356 -20.531 10.207 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.772 -19.691 11.221 1.00 0.00 C ATOM 0 H PHE C 468 -15.259 -17.871 10.957 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.060 -20.526 9.986 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.022 -17.792 9.038 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.231 -19.260 8.103 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.258 -17.460 11.133 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -18.865 -20.920 8.735 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.335 -17.933 12.346 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -20.946 -21.397 9.946 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.689 -19.897 11.753 1.00 0.00 H new ATOM 249 N PRO C 469 -13.698 -20.217 8.959 1.00 0.00 N ATOM 250 CA PRO C 469 -12.556 -20.251 8.047 1.00 0.00 C ATOM 251 C PRO C 469 -12.907 -21.008 6.767 1.00 0.00 C ATOM 252 O PRO C 469 -12.115 -21.096 5.827 1.00 0.00 O ATOM 253 CB PRO C 469 -11.509 -21.022 8.845 1.00 0.00 C ATOM 254 CG PRO C 469 -12.308 -21.950 9.682 1.00 0.00 C ATOM 255 CD PRO C 469 -13.561 -21.204 10.045 1.00 0.00 C ATOM 0 HA PRO C 469 -12.227 -19.260 7.734 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -10.826 -21.563 8.190 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.902 -20.355 9.457 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.542 -22.864 9.137 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.756 -22.244 10.575 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.424 -21.868 10.095 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.473 -20.721 11.018 1.00 0.00 H new ATOM 263 N GLN C 470 -14.118 -21.542 6.757 1.00 0.00 N ATOM 264 CA GLN C 470 -14.630 -22.360 5.668 1.00 0.00 C ATOM 265 C GLN C 470 -15.145 -21.520 4.498 1.00 0.00 C ATOM 266 O GLN C 470 -15.645 -22.065 3.515 1.00 0.00 O ATOM 267 CB GLN C 470 -15.758 -23.245 6.198 1.00 0.00 C ATOM 268 CG GLN C 470 -16.923 -22.456 6.783 1.00 0.00 C ATOM 269 CD GLN C 470 -17.923 -23.328 7.519 1.00 0.00 C ATOM 270 OE1 GLN C 470 -17.567 -24.359 8.080 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.178 -22.919 7.517 1.00 0.00 N ATOM 0 H GLN C 470 -14.785 -21.417 7.519 1.00 0.00 H new ATOM 0 HA GLN C 470 -13.806 -22.967 5.292 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.126 -23.875 5.388 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -15.359 -23.910 6.964 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -16.536 -21.701 7.467 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.435 -21.926 5.980 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.432 -22.055 7.038 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -19.894 -23.467 7.994 1.00 0.00 H new ATOM 280 N VAL C 471 -15.035 -20.207 4.602 1.00 0.00 N ATOM 281 CA VAL C 471 -15.521 -19.335 3.552 1.00 0.00 C ATOM 282 C VAL C 471 -14.391 -18.482 2.972 1.00 0.00 C ATOM 283 O VAL C 471 -13.339 -18.314 3.604 1.00 0.00 O ATOM 284 CB VAL C 471 -16.655 -18.418 4.058 1.00 0.00 C ATOM 285 CG1 VAL C 471 -17.771 -19.233 4.684 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.125 -17.379 5.030 1.00 0.00 C ATOM 0 H VAL C 471 -14.616 -19.726 5.398 1.00 0.00 H new ATOM 0 HA VAL C 471 -15.917 -19.977 2.765 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.067 -17.889 3.199 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.558 -18.565 5.033 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.180 -19.920 3.943 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.378 -19.801 5.527 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -16.945 -16.747 5.370 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.673 -17.879 5.887 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.376 -16.764 4.532 1.00 0.00 H new ATOM 296 N PRO C 472 -14.590 -17.944 1.753 1.00 0.00 N ATOM 297 CA PRO C 472 -13.608 -17.090 1.082 1.00 0.00 C ATOM 298 C PRO C 472 -13.491 -15.736 1.762 1.00 0.00 C ATOM 299 O PRO C 472 -14.474 -14.993 1.882 1.00 0.00 O ATOM 300 CB PRO C 472 -14.176 -16.930 -0.340 1.00 0.00 C ATOM 301 CG PRO C 472 -15.214 -17.989 -0.450 1.00 0.00 C ATOM 302 CD PRO C 472 -15.775 -18.135 0.927 1.00 0.00 C ATOM 0 HA PRO C 472 -12.606 -17.519 1.101 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -14.604 -15.938 -0.487 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -13.399 -17.056 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.989 -17.708 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.784 -18.927 -0.801 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.544 -17.391 1.136 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.228 -19.114 1.082 1.00 0.00 H new ATOM 310 N TYR C 473 -12.285 -15.410 2.167 1.00 0.00 N ATOM 311 CA TYR C 473 -12.003 -14.198 2.921 1.00 0.00 C ATOM 312 C TYR C 473 -12.405 -12.919 2.168 1.00 0.00 C ATOM 313 O TYR C 473 -13.077 -12.050 2.727 1.00 0.00 O ATOM 314 CB TYR C 473 -10.526 -14.154 3.299 1.00 0.00 C ATOM 315 CG TYR C 473 -10.169 -13.014 4.212 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.563 -13.021 5.540 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.438 -11.934 3.749 1.00 0.00 C ATOM 318 CE1 TYR C 473 -10.237 -11.983 6.380 1.00 0.00 C ATOM 319 CE2 TYR C 473 -9.109 -10.893 4.583 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.512 -10.922 5.897 1.00 0.00 C ATOM 321 OH TYR C 473 -9.183 -9.888 6.728 1.00 0.00 O ATOM 0 H TYR C 473 -11.460 -15.981 1.983 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.613 -14.231 3.824 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.256 -15.093 3.782 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.929 -14.080 2.390 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -11.135 -13.854 5.921 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.121 -11.909 2.717 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -10.549 -12.002 7.414 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.537 -10.057 4.209 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.833 -9.837 7.460 1.00 0.00 H new ATOM 331 N HIS C 474 -12.006 -12.808 0.905 1.00 0.00 N ATOM 332 CA HIS C 474 -12.308 -11.601 0.113 1.00 0.00 C ATOM 333 C HIS C 474 -13.810 -11.363 -0.054 1.00 0.00 C ATOM 334 O HIS C 474 -14.242 -10.225 -0.234 1.00 0.00 O ATOM 335 CB HIS C 474 -11.605 -11.618 -1.260 1.00 0.00 C ATOM 336 CG HIS C 474 -11.924 -12.803 -2.141 1.00 0.00 C ATOM 337 ND1 HIS C 474 -11.064 -13.864 -2.318 1.00 0.00 N ATOM 338 CD2 HIS C 474 -13.004 -13.073 -2.913 1.00 0.00 C ATOM 339 CE1 HIS C 474 -11.598 -14.731 -3.157 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.773 -14.275 -3.530 1.00 0.00 N ATOM 0 H HIS C 474 -11.479 -13.524 0.405 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.909 -10.764 0.687 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.871 -10.707 -1.796 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.528 -11.588 -1.097 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.884 -12.456 -3.022 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -11.147 -15.657 -3.482 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -13.411 -14.741 -4.175 1.00 0.00 H new ATOM 349 N LEU C 475 -14.605 -12.423 0.014 1.00 0.00 N ATOM 350 CA LEU C 475 -16.046 -12.278 -0.110 1.00 0.00 C ATOM 351 C LEU C 475 -16.627 -11.728 1.172 1.00 0.00 C ATOM 352 O LEU C 475 -17.632 -11.019 1.159 1.00 0.00 O ATOM 353 CB LEU C 475 -16.709 -13.599 -0.465 1.00 0.00 C ATOM 354 CG LEU C 475 -16.394 -14.153 -1.853 1.00 0.00 C ATOM 355 CD1 LEU C 475 -17.195 -15.407 -2.102 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.685 -13.117 -2.926 1.00 0.00 C ATOM 0 H LEU C 475 -14.280 -13.380 0.153 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.244 -11.577 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.415 -14.342 0.277 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.789 -13.475 -0.381 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.332 -14.397 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.964 -15.795 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.942 -16.156 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.259 -15.177 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.453 -13.534 -3.906 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.739 -12.841 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -16.072 -12.232 -2.754 1.00 0.00 H new ATOM 368 N VAL C 476 -15.974 -12.043 2.275 1.00 0.00 N ATOM 369 CA VAL C 476 -16.390 -11.543 3.571 1.00 0.00 C ATOM 370 C VAL C 476 -16.136 -10.045 3.609 1.00 0.00 C ATOM 371 O VAL C 476 -16.987 -9.265 4.022 1.00 0.00 O ATOM 372 CB VAL C 476 -15.616 -12.238 4.721 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.110 -11.762 6.076 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.743 -13.749 4.614 1.00 0.00 C ATOM 0 H VAL C 476 -15.151 -12.645 2.299 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.449 -11.757 3.712 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.564 -11.969 4.628 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.550 -12.265 6.865 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.965 -10.685 6.158 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.170 -11.994 6.179 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.193 -14.219 5.430 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.794 -14.031 4.675 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.333 -14.082 3.661 1.00 0.00 H new ATOM 384 N LEU C 477 -14.961 -9.662 3.125 1.00 0.00 N ATOM 385 CA LEU C 477 -14.567 -8.264 3.020 1.00 0.00 C ATOM 386 C LEU C 477 -15.579 -7.475 2.195 1.00 0.00 C ATOM 387 O LEU C 477 -15.855 -6.308 2.482 1.00 0.00 O ATOM 388 CB LEU C 477 -13.190 -8.172 2.364 1.00 0.00 C ATOM 389 CG LEU C 477 -12.002 -8.601 3.220 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.714 -8.466 2.432 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.929 -7.773 4.490 1.00 0.00 C ATOM 0 H LEU C 477 -14.252 -10.316 2.793 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.530 -7.837 4.022 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.200 -8.783 1.462 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.030 -7.141 2.049 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.138 -9.646 3.499 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.873 -8.775 3.053 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.762 -9.098 1.545 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.579 -7.427 2.130 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.075 -8.095 5.086 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.815 -6.720 4.232 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.845 -7.908 5.066 1.00 0.00 H new ATOM 403 N GLN C 478 -16.125 -8.121 1.171 1.00 0.00 N ATOM 404 CA GLN C 478 -17.106 -7.503 0.310 1.00 0.00 C ATOM 405 C GLN C 478 -18.361 -7.140 1.092 1.00 0.00 C ATOM 406 O GLN C 478 -18.820 -6.004 1.042 1.00 0.00 O ATOM 407 CB GLN C 478 -17.470 -8.438 -0.842 1.00 0.00 C ATOM 408 CG GLN C 478 -18.478 -7.843 -1.805 1.00 0.00 C ATOM 409 CD GLN C 478 -18.910 -8.806 -2.896 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.941 -10.092 -2.580 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -19.225 -8.395 -4.012 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.896 -9.083 0.921 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.670 -6.590 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.564 -8.697 -1.390 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.872 -9.366 -0.434 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.357 -7.521 -1.246 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -18.048 -6.953 -2.265 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -19.188 -7.396 -4.217 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.523 -9.053 -4.732 1.00 0.00 H new ATOM 420 N ASP C 479 -18.897 -8.107 1.833 1.00 0.00 N ATOM 421 CA ASP C 479 -20.124 -7.885 2.600 1.00 0.00 C ATOM 422 C ASP C 479 -19.893 -6.875 3.710 1.00 0.00 C ATOM 423 O ASP C 479 -20.801 -6.166 4.105 1.00 0.00 O ATOM 424 CB ASP C 479 -20.660 -9.188 3.182 1.00 0.00 C ATOM 425 CG ASP C 479 -22.072 -9.031 3.731 1.00 0.00 C ATOM 426 OD1 ASP C 479 -23.032 -9.141 2.940 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.228 -8.793 4.955 1.00 0.00 O ATOM 0 H ASP C 479 -18.506 -9.045 1.920 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.870 -7.486 1.912 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.655 -9.958 2.411 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.998 -9.529 3.978 1.00 0.00 H new ATOM 432 N LEU C 480 -18.664 -6.789 4.188 1.00 0.00 N ATOM 433 CA LEU C 480 -18.328 -5.830 5.225 1.00 0.00 C ATOM 434 C LEU C 480 -18.332 -4.413 4.672 1.00 0.00 C ATOM 435 O LEU C 480 -18.361 -3.448 5.419 1.00 0.00 O ATOM 436 CB LEU C 480 -16.987 -6.152 5.898 1.00 0.00 C ATOM 437 CG LEU C 480 -17.062 -6.945 7.206 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.171 -6.427 8.102 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.268 -8.393 6.927 1.00 0.00 C ATOM 0 H LEU C 480 -17.885 -7.369 3.876 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.097 -5.904 5.994 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.375 -6.713 5.192 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.468 -5.214 6.095 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.114 -6.814 7.727 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.198 -7.011 9.022 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.986 -5.380 8.342 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.127 -6.518 7.587 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.319 -8.941 7.868 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.199 -8.529 6.377 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.437 -8.771 6.332 1.00 0.00 H new ATOM 451 N GLN C 481 -18.290 -4.303 3.361 1.00 0.00 N ATOM 452 CA GLN C 481 -18.424 -3.025 2.702 1.00 0.00 C ATOM 453 C GLN C 481 -19.895 -2.714 2.510 1.00 0.00 C ATOM 454 O GLN C 481 -20.296 -1.559 2.399 1.00 0.00 O ATOM 455 CB GLN C 481 -17.736 -3.055 1.344 1.00 0.00 C ATOM 456 CG GLN C 481 -16.288 -2.626 1.365 1.00 0.00 C ATOM 457 CD GLN C 481 -16.131 -1.144 1.648 1.00 0.00 C ATOM 458 OE1 GLN C 481 -17.018 -0.348 1.348 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.994 -0.757 2.186 1.00 0.00 N ATOM 0 H GLN C 481 -18.163 -5.092 2.727 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.957 -2.257 3.319 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.796 -4.067 0.943 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -18.284 -2.407 0.659 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.753 -3.197 2.124 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.828 -2.861 0.405 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -14.281 -1.447 2.422 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -14.826 0.233 2.367 1.00 0.00 H new ATOM 468 N LEU C 482 -20.694 -3.767 2.484 1.00 0.00 N ATOM 469 CA LEU C 482 -22.110 -3.658 2.241 1.00 0.00 C ATOM 470 C LEU C 482 -22.881 -3.459 3.542 1.00 0.00 C ATOM 471 O LEU C 482 -23.694 -2.542 3.659 1.00 0.00 O ATOM 472 CB LEU C 482 -22.609 -4.923 1.536 1.00 0.00 C ATOM 473 CG LEU C 482 -21.734 -5.450 0.389 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.414 -6.604 -0.323 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.383 -4.346 -0.593 1.00 0.00 C ATOM 0 H LEU C 482 -20.371 -4.723 2.632 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.281 -2.788 1.607 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.710 -5.713 2.280 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.606 -4.725 1.143 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.804 -5.815 0.825 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.775 -6.960 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.590 -7.415 0.384 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.366 -6.268 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.763 -4.753 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.298 -3.933 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.836 -3.559 -0.075 1.00 0.00 H new ATOM 487 N THR C 483 -22.621 -4.314 4.517 1.00 0.00 N ATOM 488 CA THR C 483 -23.336 -4.260 5.775 1.00 0.00 C ATOM 489 C THR C 483 -22.513 -3.584 6.854 1.00 0.00 C ATOM 490 O THR C 483 -23.064 -2.926 7.740 1.00 0.00 O ATOM 491 CB THR C 483 -23.723 -5.670 6.253 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.546 -6.477 6.389 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.677 -6.325 5.272 1.00 0.00 C ATOM 0 H THR C 483 -21.920 -5.052 4.459 1.00 0.00 H new ATOM 0 HA THR C 483 -24.239 -3.676 5.598 1.00 0.00 H new ATOM 0 HB THR C 483 -24.220 -5.583 7.219 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.615 -7.258 5.802 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.938 -7.321 5.629 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.581 -5.722 5.186 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.198 -6.403 4.296 1.00 0.00 H new ATOM 501 N ARG C 484 -21.180 -3.751 6.775 1.00 0.00 N ATOM 502 CA ARG C 484 -20.256 -3.211 7.768 1.00 0.00 C ATOM 503 C ARG C 484 -20.541 -3.797 9.147 1.00 0.00 C ATOM 504 O ARG C 484 -20.115 -3.258 10.166 1.00 0.00 O ATOM 505 CB ARG C 484 -20.352 -1.699 7.818 1.00 0.00 C ATOM 506 CG ARG C 484 -19.907 -1.008 6.552 1.00 0.00 C ATOM 507 CD ARG C 484 -20.174 0.472 6.633 1.00 0.00 C ATOM 508 NE ARG C 484 -19.581 1.064 7.836 1.00 0.00 N ATOM 509 CZ ARG C 484 -20.106 2.088 8.512 1.00 0.00 C ATOM 510 NH1 ARG C 484 -21.217 2.681 8.084 1.00 0.00 N ATOM 511 NH2 ARG C 484 -19.510 2.522 9.613 1.00 0.00 N ATOM 0 H ARG C 484 -20.722 -4.263 6.021 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.244 -3.490 7.474 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.384 -1.419 8.028 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.747 -1.335 8.649 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.843 -1.183 6.391 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.433 -1.431 5.696 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.770 0.964 5.748 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -21.250 0.648 6.633 1.00 0.00 H new ATOM 0 HE ARG C 484 -18.707 0.666 8.180 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -21.674 2.354 7.233 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -21.612 3.463 8.607 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -18.654 2.074 9.940 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -19.907 3.304 10.133 1.00 0.00 H new ATOM 525 N SER C 485 -21.234 -4.919 9.166 1.00 0.00 N ATOM 526 CA SER C 485 -21.626 -5.550 10.399 1.00 0.00 C ATOM 527 C SER C 485 -21.292 -7.022 10.356 1.00 0.00 C ATOM 528 O SER C 485 -21.935 -7.779 9.637 1.00 0.00 O ATOM 529 CB SER C 485 -23.130 -5.368 10.612 1.00 0.00 C ATOM 530 OG SER C 485 -23.547 -5.850 11.883 1.00 0.00 O ATOM 0 H SER C 485 -21.538 -5.413 8.327 1.00 0.00 H new ATOM 0 HA SER C 485 -21.084 -5.088 11.224 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.384 -4.312 10.523 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.674 -5.894 9.828 1.00 0.00 H new ATOM 0 HG SER C 485 -22.805 -6.324 12.313 1.00 0.00 H new ATOM 536 N VAL C 486 -20.291 -7.434 11.130 1.00 0.00 N ATOM 537 CA VAL C 486 -19.904 -8.830 11.174 1.00 0.00 C ATOM 538 C VAL C 486 -21.058 -9.699 11.659 1.00 0.00 C ATOM 539 O VAL C 486 -21.166 -10.865 11.289 1.00 0.00 O ATOM 540 CB VAL C 486 -18.661 -9.067 12.066 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.519 -8.184 11.633 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.966 -8.860 13.538 1.00 0.00 C ATOM 0 H VAL C 486 -19.740 -6.820 11.730 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.643 -9.113 10.154 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.368 -10.109 11.939 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.655 -8.366 12.273 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.258 -8.408 10.599 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.816 -7.139 11.714 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.065 -9.037 14.125 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.308 -7.838 13.698 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.745 -9.556 13.850 1.00 0.00 H new ATOM 552 N GLU C 487 -21.921 -9.113 12.480 1.00 0.00 N ATOM 553 CA GLU C 487 -23.087 -9.802 12.991 1.00 0.00 C ATOM 554 C GLU C 487 -23.993 -10.195 11.837 1.00 0.00 C ATOM 555 O GLU C 487 -24.530 -11.303 11.800 1.00 0.00 O ATOM 556 CB GLU C 487 -23.855 -8.911 13.975 1.00 0.00 C ATOM 557 CG GLU C 487 -22.974 -8.222 15.010 1.00 0.00 C ATOM 558 CD GLU C 487 -22.520 -6.841 14.572 1.00 0.00 C ATOM 559 OE1 GLU C 487 -21.718 -6.738 13.624 1.00 0.00 O ATOM 560 OE2 GLU C 487 -22.982 -5.845 15.159 1.00 0.00 O ATOM 0 H GLU C 487 -21.828 -8.151 12.806 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.760 -10.697 13.519 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.398 -8.151 13.413 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.599 -9.517 14.493 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -23.522 -8.138 15.949 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -22.099 -8.842 15.206 1.00 0.00 H new ATOM 567 N ILE C 488 -24.136 -9.283 10.883 1.00 0.00 N ATOM 568 CA ILE C 488 -24.936 -9.543 9.707 1.00 0.00 C ATOM 569 C ILE C 488 -24.169 -10.435 8.760 1.00 0.00 C ATOM 570 O ILE C 488 -24.636 -11.476 8.407 1.00 0.00 O ATOM 571 CB ILE C 488 -25.325 -8.250 8.962 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.006 -7.262 9.910 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.245 -8.575 7.792 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.394 -5.954 9.251 1.00 0.00 C ATOM 0 H ILE C 488 -23.706 -8.359 10.907 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.853 -10.028 10.043 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.415 -7.787 8.580 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.899 -7.728 10.326 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.337 -7.054 10.745 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.513 -7.655 7.273 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.733 -9.245 7.101 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.149 -9.059 8.163 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.871 -5.304 9.985 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.502 -5.465 8.860 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.088 -6.150 8.434 1.00 0.00 H new ATOM 586 N THR C 489 -22.975 -9.997 8.369 1.00 0.00 N ATOM 587 CA THR C 489 -22.090 -10.732 7.467 1.00 0.00 C ATOM 588 C THR C 489 -21.993 -12.228 7.813 1.00 0.00 C ATOM 589 O THR C 489 -22.101 -13.076 6.934 1.00 0.00 O ATOM 590 CB THR C 489 -20.683 -10.116 7.483 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.777 -8.721 7.184 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.775 -10.784 6.465 1.00 0.00 C ATOM 0 H THR C 489 -22.587 -9.105 8.675 1.00 0.00 H new ATOM 0 HA THR C 489 -22.526 -10.652 6.471 1.00 0.00 H new ATOM 0 HB THR C 489 -20.255 -10.266 8.474 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.097 -8.604 6.265 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.787 -10.325 6.502 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.690 -11.846 6.695 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.195 -10.661 5.467 1.00 0.00 H new ATOM 600 N THR C 490 -21.812 -12.547 9.090 1.00 0.00 N ATOM 601 CA THR C 490 -21.704 -13.935 9.507 1.00 0.00 C ATOM 602 C THR C 490 -23.012 -14.681 9.239 1.00 0.00 C ATOM 603 O THR C 490 -23.011 -15.799 8.716 1.00 0.00 O ATOM 604 CB THR C 490 -21.329 -14.046 10.996 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.139 -13.287 11.249 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.083 -15.490 11.372 1.00 0.00 C ATOM 0 H THR C 490 -21.738 -11.867 9.847 1.00 0.00 H new ATOM 0 HA THR C 490 -20.908 -14.394 8.921 1.00 0.00 H new ATOM 0 HB THR C 490 -22.154 -13.657 11.593 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.382 -12.401 11.589 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.819 -15.551 12.428 1.00 0.00 H new ATOM 0 HG22 THR C 490 -21.986 -16.072 11.189 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.266 -15.889 10.770 1.00 0.00 H new ATOM 614 N ASP C 491 -24.122 -14.044 9.569 1.00 0.00 N ATOM 615 CA ASP C 491 -25.441 -14.622 9.328 1.00 0.00 C ATOM 616 C ASP C 491 -25.731 -14.602 7.836 1.00 0.00 C ATOM 617 O ASP C 491 -26.403 -15.480 7.302 1.00 0.00 O ATOM 618 CB ASP C 491 -26.505 -13.835 10.087 1.00 0.00 C ATOM 619 CG ASP C 491 -27.885 -14.430 9.944 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.081 -15.596 10.339 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.791 -13.722 9.468 1.00 0.00 O ATOM 0 H ASP C 491 -24.140 -13.123 10.006 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.458 -15.652 9.683 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.238 -13.797 11.143 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.518 -12.807 9.724 1.00 0.00 H new ATOM 626 N ASN C 492 -25.189 -13.591 7.180 1.00 0.00 N ATOM 627 CA ASN C 492 -25.281 -13.428 5.749 1.00 0.00 C ATOM 628 C ASN C 492 -24.676 -14.640 5.062 1.00 0.00 C ATOM 629 O ASN C 492 -25.251 -15.199 4.136 1.00 0.00 O ATOM 630 CB ASN C 492 -24.561 -12.137 5.313 1.00 0.00 C ATOM 631 CG ASN C 492 -25.516 -11.005 5.014 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.691 -11.228 4.720 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.015 -9.790 5.046 1.00 0.00 N ATOM 0 H ASN C 492 -24.663 -12.848 7.641 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.329 -13.345 5.460 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.873 -11.827 6.099 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -23.961 -12.343 4.427 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.605 -8.989 4.822 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.036 -9.648 5.295 1.00 0.00 H new ATOM 640 N ILE C 493 -23.512 -15.049 5.542 1.00 0.00 N ATOM 641 CA ILE C 493 -22.843 -16.241 5.044 1.00 0.00 C ATOM 642 C ILE C 493 -23.774 -17.445 5.175 1.00 0.00 C ATOM 643 O ILE C 493 -23.980 -18.207 4.229 1.00 0.00 O ATOM 644 CB ILE C 493 -21.569 -16.542 5.874 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.568 -15.398 5.785 1.00 0.00 C ATOM 646 CG2 ILE C 493 -20.929 -17.842 5.429 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.413 -15.532 6.759 1.00 0.00 C ATOM 0 H ILE C 493 -23.006 -14.566 6.285 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.576 -16.065 4.002 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.872 -16.645 6.916 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.174 -15.348 4.770 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.085 -14.457 5.973 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.037 -18.031 6.026 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.636 -18.660 5.563 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.653 -17.770 4.377 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.738 -14.684 6.642 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -19.797 -15.552 7.779 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -18.872 -16.457 6.557 1.00 0.00 H new ATOM 659 N LEU C 494 -24.347 -17.570 6.354 1.00 0.00 N ATOM 660 CA LEU C 494 -25.203 -18.684 6.713 1.00 0.00 C ATOM 661 C LEU C 494 -26.505 -18.728 5.898 1.00 0.00 C ATOM 662 O LEU C 494 -27.044 -19.812 5.643 1.00 0.00 O ATOM 663 CB LEU C 494 -25.479 -18.630 8.213 1.00 0.00 C ATOM 664 CG LEU C 494 -24.233 -18.810 9.091 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.502 -18.394 10.526 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.749 -20.250 9.036 1.00 0.00 C ATOM 0 H LEU C 494 -24.229 -16.889 7.104 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.681 -19.609 6.468 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -25.942 -17.672 8.451 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.202 -19.405 8.466 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.450 -18.161 8.698 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.599 -18.534 11.121 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.794 -17.344 10.552 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.306 -19.005 10.937 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -22.865 -20.361 9.664 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.536 -20.912 9.397 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.499 -20.511 8.008 1.00 0.00 H new ATOM 678 N GLU C 495 -27.008 -17.569 5.483 1.00 0.00 N ATOM 679 CA GLU C 495 -28.219 -17.527 4.668 1.00 0.00 C ATOM 680 C GLU C 495 -27.882 -17.684 3.181 1.00 0.00 C ATOM 681 O GLU C 495 -28.768 -17.667 2.323 1.00 0.00 O ATOM 682 CB GLU C 495 -29.008 -16.234 4.904 1.00 0.00 C ATOM 683 CG GLU C 495 -28.295 -14.975 4.455 1.00 0.00 C ATOM 684 CD GLU C 495 -29.162 -13.741 4.572 1.00 0.00 C ATOM 685 OE1 GLU C 495 -29.179 -13.117 5.645 1.00 0.00 O ATOM 686 OE2 GLU C 495 -29.836 -13.388 3.585 1.00 0.00 O ATOM 0 H GLU C 495 -26.603 -16.657 5.694 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.847 -18.364 4.971 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -29.961 -16.304 4.380 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.234 -16.150 5.967 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -27.394 -14.839 5.053 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -27.975 -15.093 3.420 1.00 0.00 H new ATOM 693 N GLY C 496 -26.595 -17.831 2.886 1.00 0.00 N ATOM 694 CA GLY C 496 -26.164 -18.029 1.517 1.00 0.00 C ATOM 695 C GLY C 496 -25.967 -16.731 0.765 1.00 0.00 C ATOM 696 O GLY C 496 -26.058 -16.701 -0.462 1.00 0.00 O ATOM 0 H GLY C 496 -25.842 -17.816 3.573 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.229 -18.590 1.514 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -26.902 -18.637 0.994 1.00 0.00 H new ATOM 700 N ARG C 497 -25.699 -15.659 1.491 1.00 0.00 N ATOM 701 CA ARG C 497 -25.465 -14.365 0.874 1.00 0.00 C ATOM 702 C ARG C 497 -24.088 -14.346 0.237 1.00 0.00 C ATOM 703 O ARG C 497 -23.869 -13.717 -0.796 1.00 0.00 O ATOM 704 CB ARG C 497 -25.583 -13.253 1.913 1.00 0.00 C ATOM 705 CG ARG C 497 -25.678 -11.864 1.324 1.00 0.00 C ATOM 706 CD ARG C 497 -26.853 -11.763 0.372 1.00 0.00 C ATOM 707 NE ARG C 497 -28.082 -12.305 0.963 1.00 0.00 N ATOM 708 CZ ARG C 497 -29.007 -12.988 0.287 1.00 0.00 C ATOM 709 NH1 ARG C 497 -28.892 -13.157 -1.026 1.00 0.00 N ATOM 710 NH2 ARG C 497 -30.053 -13.492 0.927 1.00 0.00 N ATOM 0 H ARG C 497 -25.638 -15.659 2.509 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.217 -14.197 0.103 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.465 -13.436 2.527 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.719 -13.297 2.576 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.788 -11.132 2.124 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.755 -11.624 0.796 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -27.011 -10.720 0.099 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.623 -12.302 -0.547 1.00 0.00 H new ATOM 0 HE ARG C 497 -28.240 -12.149 1.959 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -28.093 -12.763 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -29.603 -13.680 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -30.149 -13.357 1.933 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -30.762 -14.015 0.413 1.00 0.00 H new ATOM 724 N ILE C 498 -23.169 -15.053 0.862 1.00 0.00 N ATOM 725 CA ILE C 498 -21.831 -15.181 0.353 1.00 0.00 C ATOM 726 C ILE C 498 -21.765 -16.429 -0.509 1.00 0.00 C ATOM 727 O ILE C 498 -21.948 -17.551 -0.018 1.00 0.00 O ATOM 728 CB ILE C 498 -20.768 -15.253 1.501 1.00 0.00 C ATOM 729 CG1 ILE C 498 -20.539 -13.865 2.142 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.446 -15.820 0.992 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.731 -13.300 2.889 1.00 0.00 C ATOM 0 H ILE C 498 -23.334 -15.552 1.736 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.594 -14.296 -0.237 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.162 -15.924 2.265 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -19.697 -13.934 2.831 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -20.254 -13.162 1.359 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.727 -15.858 1.811 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.607 -16.825 0.603 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.058 -15.182 0.198 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.473 -12.325 3.302 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.572 -13.192 2.204 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -22.007 -13.976 3.699 1.00 0.00 H new