USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=7 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 -119:sc= 1.03 USER MOD Set 1.2: C 489 THR OG1 : rot -62:sc= 1.25 USER MOD Set 2.1: C 458 ASN : amide:sc=-0.00171 K(o=0.23,f=-1) USER MOD Set 2.2: C 473 TYR OH : rot 1:sc= 0.235 USER MOD Single : C 456 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : C 460 MET CE :methyl 167:sc= -2.79! (180deg=-3.24!) USER MOD Single : C 462 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 463 GLN : amide:sc= -1.09! X(o=-1.1!,f=-0.68) USER MOD Single : C 465 GLN : amide:sc= -0.0918 X(o=-0.092,f=0.11) USER MOD Single : C 467 MET CE :methyl 172:sc= -1.29 (180deg=-1.54) USER MOD Single : C 470 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.3) USER MOD Single : C 474 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : C 478 GLN : amide:sc= -1.76! X(o=-1.8!,f=-1.7) USER MOD Single : C 481 GLN : amide:sc= -3.57! C(o=-3.6!,f=-4.2!) USER MOD Single : C 485 SER OG : rot 170:sc= -0.0546 USER MOD Single : C 490 THR OG1 : rot 84:sc= 1.25 USER MOD Single : C 492 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -9.852 -1.351 8.835 1.00 0.00 N ATOM 40 CA GLN C 456 -11.000 -1.636 9.684 1.00 0.00 C ATOM 41 C GLN C 456 -11.765 -2.843 9.155 1.00 0.00 C ATOM 42 O GLN C 456 -12.190 -3.704 9.918 1.00 0.00 O ATOM 43 CB GLN C 456 -11.918 -0.418 9.756 1.00 0.00 C ATOM 44 CG GLN C 456 -11.292 0.784 10.444 1.00 0.00 C ATOM 45 CD GLN C 456 -12.162 2.020 10.355 1.00 0.00 C ATOM 46 OE1 GLN C 456 -13.388 1.928 10.293 1.00 0.00 O ATOM 47 NE2 GLN C 456 -11.540 3.181 10.348 1.00 0.00 N ATOM 0 HA GLN C 456 -10.642 -1.865 10.688 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.210 -0.135 8.745 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.830 -0.693 10.285 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -11.111 0.545 11.492 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -10.322 0.993 9.993 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -10.522 3.214 10.401 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -12.076 4.047 10.290 1.00 0.00 H new ATOM 56 N LEU C 457 -11.919 -2.899 7.841 1.00 0.00 N ATOM 57 CA LEU C 457 -12.618 -3.998 7.179 1.00 0.00 C ATOM 58 C LEU C 457 -11.924 -5.323 7.446 1.00 0.00 C ATOM 59 O LEU C 457 -12.565 -6.304 7.841 1.00 0.00 O ATOM 60 CB LEU C 457 -12.697 -3.739 5.671 1.00 0.00 C ATOM 61 CG LEU C 457 -13.855 -2.854 5.189 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.159 -3.609 5.256 1.00 0.00 C ATOM 63 CD2 LEU C 457 -13.956 -1.574 6.001 1.00 0.00 C ATOM 0 H LEU C 457 -11.565 -2.187 7.202 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.628 -4.054 7.585 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -11.761 -3.279 5.354 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -12.768 -4.701 5.163 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.650 -2.582 4.154 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.969 -2.967 4.911 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -15.101 -4.493 4.621 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.351 -3.914 6.285 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -14.787 -0.973 5.631 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -14.125 -1.820 7.049 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -13.029 -1.009 5.906 1.00 0.00 H new ATOM 75 N ASN C 458 -10.613 -5.340 7.241 1.00 0.00 N ATOM 76 CA ASN C 458 -9.803 -6.529 7.477 1.00 0.00 C ATOM 77 C ASN C 458 -9.916 -6.967 8.924 1.00 0.00 C ATOM 78 O ASN C 458 -9.982 -8.158 9.222 1.00 0.00 O ATOM 79 CB ASN C 458 -8.332 -6.263 7.127 1.00 0.00 C ATOM 80 CG ASN C 458 -8.088 -6.106 5.634 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.763 -6.721 4.807 1.00 0.00 O ATOM 82 ND2 ASN C 458 -7.121 -5.279 5.280 1.00 0.00 N ATOM 0 H ASN C 458 -10.083 -4.534 6.908 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.177 -7.326 6.834 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.002 -5.359 7.639 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.722 -7.084 7.504 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.912 -5.132 4.293 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.584 -4.787 5.994 1.00 0.00 H new ATOM 89 N ALA C 459 -9.954 -5.993 9.821 1.00 0.00 N ATOM 90 CA ALA C 459 -10.088 -6.263 11.237 1.00 0.00 C ATOM 91 C ALA C 459 -11.440 -6.881 11.541 1.00 0.00 C ATOM 92 O ALA C 459 -11.519 -7.864 12.254 1.00 0.00 O ATOM 93 CB ALA C 459 -9.897 -4.988 12.037 1.00 0.00 C ATOM 0 H ALA C 459 -9.893 -5.002 9.586 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.315 -6.975 11.525 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -10.001 -5.206 13.100 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.903 -4.583 11.845 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.650 -4.257 11.742 1.00 0.00 H new ATOM 99 N MET C 460 -12.498 -6.308 10.976 1.00 0.00 N ATOM 100 CA MET C 460 -13.849 -6.797 11.212 1.00 0.00 C ATOM 101 C MET C 460 -14.016 -8.238 10.745 1.00 0.00 C ATOM 102 O MET C 460 -14.388 -9.118 11.528 1.00 0.00 O ATOM 103 CB MET C 460 -14.883 -5.901 10.522 1.00 0.00 C ATOM 104 CG MET C 460 -14.908 -4.475 11.045 1.00 0.00 C ATOM 105 SD MET C 460 -16.436 -3.602 10.647 1.00 0.00 S ATOM 106 CE MET C 460 -16.438 -3.727 8.869 1.00 0.00 C ATOM 0 H MET C 460 -12.444 -5.504 10.351 1.00 0.00 H new ATOM 0 HA MET C 460 -14.017 -6.768 12.289 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.676 -5.882 9.452 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.872 -6.341 10.648 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.776 -4.489 12.127 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.064 -3.926 10.628 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.418 -3.445 8.486 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.681 -3.060 8.456 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.216 -4.753 8.576 1.00 0.00 H new ATOM 116 N ALA C 461 -13.710 -8.484 9.479 1.00 0.00 N ATOM 117 CA ALA C 461 -13.865 -9.811 8.892 1.00 0.00 C ATOM 118 C ALA C 461 -12.909 -10.823 9.522 1.00 0.00 C ATOM 119 O ALA C 461 -13.127 -12.034 9.446 1.00 0.00 O ATOM 120 CB ALA C 461 -13.651 -9.745 7.391 1.00 0.00 C ATOM 0 H ALA C 461 -13.351 -7.780 8.835 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.881 -10.149 9.095 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.769 -10.740 6.963 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -14.384 -9.070 6.948 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -12.646 -9.377 7.183 1.00 0.00 H new ATOM 126 N HIS C 462 -11.864 -10.316 10.159 1.00 0.00 N ATOM 127 CA HIS C 462 -10.852 -11.149 10.802 1.00 0.00 C ATOM 128 C HIS C 462 -11.470 -12.075 11.863 1.00 0.00 C ATOM 129 O HIS C 462 -11.078 -13.235 11.976 1.00 0.00 O ATOM 130 CB HIS C 462 -9.761 -10.256 11.417 1.00 0.00 C ATOM 131 CG HIS C 462 -8.621 -10.987 12.053 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.778 -11.822 11.362 1.00 0.00 N ATOM 133 CD2 HIS C 462 -8.185 -10.991 13.329 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.872 -12.311 12.184 1.00 0.00 C ATOM 135 NE2 HIS C 462 -7.095 -11.822 13.385 1.00 0.00 N ATOM 0 H HIS C 462 -11.691 -9.315 10.246 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.402 -11.790 10.044 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.364 -9.606 10.637 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -10.221 -9.612 12.166 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.614 -10.442 14.154 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.081 -12.996 11.917 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.547 -12.027 14.221 1.00 0.00 H new ATOM 144 N GLN C 463 -12.447 -11.568 12.622 1.00 0.00 N ATOM 145 CA GLN C 463 -13.097 -12.384 13.661 1.00 0.00 C ATOM 146 C GLN C 463 -14.143 -13.312 13.078 1.00 0.00 C ATOM 147 O GLN C 463 -14.559 -14.272 13.726 1.00 0.00 O ATOM 148 CB GLN C 463 -13.706 -11.533 14.784 1.00 0.00 C ATOM 149 CG GLN C 463 -12.682 -11.028 15.793 1.00 0.00 C ATOM 150 CD GLN C 463 -11.766 -9.991 15.207 1.00 0.00 C ATOM 151 OE1 GLN C 463 -10.584 -9.927 15.539 1.00 0.00 O ATOM 152 NE2 GLN C 463 -12.309 -9.147 14.373 1.00 0.00 N ATOM 0 H GLN C 463 -12.802 -10.615 12.542 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.306 -12.992 14.101 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.220 -10.679 14.343 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.459 -12.123 15.307 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.201 -10.606 16.654 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.090 -11.868 16.158 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -13.294 -9.237 14.125 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -11.748 -8.397 13.969 1.00 0.00 H new ATOM 161 N ILE C 464 -14.574 -13.031 11.870 1.00 0.00 N ATOM 162 CA ILE C 464 -15.523 -13.896 11.209 1.00 0.00 C ATOM 163 C ILE C 464 -14.806 -15.106 10.630 1.00 0.00 C ATOM 164 O ILE C 464 -15.282 -16.228 10.748 1.00 0.00 O ATOM 165 CB ILE C 464 -16.287 -13.175 10.079 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.041 -11.954 10.621 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.259 -14.140 9.403 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.807 -11.210 9.552 1.00 0.00 C ATOM 0 H ILE C 464 -14.285 -12.216 11.328 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.249 -14.206 11.960 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.562 -12.828 9.342 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.734 -12.277 11.398 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.330 -11.274 11.091 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.793 -13.621 8.607 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.705 -14.978 8.981 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.974 -14.510 10.138 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.319 -10.357 9.998 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.115 -10.858 8.787 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.540 -11.877 9.099 1.00 0.00 H new ATOM 180 N GLN C 465 -13.641 -14.870 10.028 1.00 0.00 N ATOM 181 CA GLN C 465 -12.864 -15.944 9.410 1.00 0.00 C ATOM 182 C GLN C 465 -12.452 -16.994 10.432 1.00 0.00 C ATOM 183 O GLN C 465 -12.512 -18.187 10.165 1.00 0.00 O ATOM 184 CB GLN C 465 -11.617 -15.404 8.733 1.00 0.00 C ATOM 185 CG GLN C 465 -10.894 -16.466 7.917 1.00 0.00 C ATOM 186 CD GLN C 465 -9.560 -16.015 7.377 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.343 -14.837 7.112 1.00 0.00 O ATOM 188 NE2 GLN C 465 -8.660 -16.956 7.203 1.00 0.00 N ATOM 0 H GLN C 465 -13.215 -13.946 9.955 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.510 -16.405 8.663 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.891 -14.574 8.082 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.940 -15.007 9.489 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.744 -17.349 8.538 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.530 -16.766 7.084 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -8.882 -17.924 7.437 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -7.739 -16.719 6.834 1.00 0.00 H new ATOM 197 N GLU C 466 -12.032 -16.542 11.603 1.00 0.00 N ATOM 198 CA GLU C 466 -11.614 -17.448 12.662 1.00 0.00 C ATOM 199 C GLU C 466 -12.776 -18.326 13.130 1.00 0.00 C ATOM 200 O GLU C 466 -12.570 -19.390 13.710 1.00 0.00 O ATOM 201 CB GLU C 466 -11.003 -16.668 13.826 1.00 0.00 C ATOM 202 CG GLU C 466 -11.764 -15.419 14.190 1.00 0.00 C ATOM 203 CD GLU C 466 -11.136 -14.670 15.338 1.00 0.00 C ATOM 204 OE1 GLU C 466 -10.152 -13.947 15.109 1.00 0.00 O ATOM 205 OE2 GLU C 466 -11.628 -14.799 16.478 1.00 0.00 O ATOM 0 H GLU C 466 -11.971 -15.553 11.845 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.847 -18.110 12.260 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -10.952 -17.318 14.699 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -9.979 -16.396 13.571 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -11.818 -14.764 13.320 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -12.788 -15.685 14.452 1.00 0.00 H new ATOM 212 N MET C 467 -13.994 -17.879 12.860 1.00 0.00 N ATOM 213 CA MET C 467 -15.178 -18.646 13.193 1.00 0.00 C ATOM 214 C MET C 467 -15.614 -19.482 11.998 1.00 0.00 C ATOM 215 O MET C 467 -16.001 -20.640 12.147 1.00 0.00 O ATOM 216 CB MET C 467 -16.325 -17.727 13.616 1.00 0.00 C ATOM 217 CG MET C 467 -16.047 -16.921 14.865 1.00 0.00 C ATOM 218 SD MET C 467 -17.491 -16.002 15.447 1.00 0.00 S ATOM 219 CE MET C 467 -17.824 -14.937 14.044 1.00 0.00 C ATOM 0 H MET C 467 -14.185 -16.984 12.409 1.00 0.00 H new ATOM 0 HA MET C 467 -14.930 -19.302 14.027 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.547 -17.042 12.798 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.218 -18.331 13.778 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.707 -17.591 15.655 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.234 -16.222 14.667 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.768 -14.415 14.199 1.00 0.00 H new ATOM 0 HE2 MET C 467 -17.020 -14.208 13.941 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.887 -15.539 13.137 1.00 0.00 H new ATOM 229 N PHE C 468 -15.544 -18.892 10.816 1.00 0.00 N ATOM 230 CA PHE C 468 -15.962 -19.558 9.595 1.00 0.00 C ATOM 231 C PHE C 468 -14.865 -19.523 8.524 1.00 0.00 C ATOM 232 O PHE C 468 -14.945 -18.751 7.571 1.00 0.00 O ATOM 233 CB PHE C 468 -17.243 -18.910 9.051 1.00 0.00 C ATOM 234 CG PHE C 468 -18.451 -19.132 9.915 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.766 -18.245 10.931 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.272 -20.228 9.711 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.873 -18.446 11.726 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.384 -20.435 10.504 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.685 -19.542 11.513 1.00 0.00 C ATOM 0 H PHE C 468 -15.198 -17.943 10.677 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.157 -20.602 9.840 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -17.078 -17.838 8.942 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.443 -19.305 8.055 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -18.136 -17.385 11.102 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.040 -20.929 8.923 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.105 -17.747 12.515 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.017 -21.294 10.335 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.554 -19.701 12.134 1.00 0.00 H new ATOM 249 N PRO C 469 -13.817 -20.359 8.673 1.00 0.00 N ATOM 250 CA PRO C 469 -12.726 -20.445 7.695 1.00 0.00 C ATOM 251 C PRO C 469 -13.167 -21.195 6.438 1.00 0.00 C ATOM 252 O PRO C 469 -12.429 -21.288 5.451 1.00 0.00 O ATOM 253 CB PRO C 469 -11.662 -21.250 8.438 1.00 0.00 C ATOM 254 CG PRO C 469 -12.441 -22.102 9.367 1.00 0.00 C ATOM 255 CD PRO C 469 -13.596 -21.261 9.816 1.00 0.00 C ATOM 0 HA PRO C 469 -12.384 -19.466 7.358 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.064 -21.850 7.752 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.973 -20.599 8.976 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.787 -23.009 8.870 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.832 -22.415 10.215 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.477 -21.867 10.028 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.363 -20.709 10.726 1.00 0.00 H new ATOM 263 N GLN C 470 -14.381 -21.731 6.500 1.00 0.00 N ATOM 264 CA GLN C 470 -14.971 -22.492 5.409 1.00 0.00 C ATOM 265 C GLN C 470 -15.269 -21.613 4.194 1.00 0.00 C ATOM 266 O GLN C 470 -15.347 -22.108 3.065 1.00 0.00 O ATOM 267 CB GLN C 470 -16.253 -23.188 5.883 1.00 0.00 C ATOM 268 CG GLN C 470 -17.244 -22.257 6.568 1.00 0.00 C ATOM 269 CD GLN C 470 -18.595 -22.899 6.805 1.00 0.00 C ATOM 270 OE1 GLN C 470 -18.702 -24.111 6.968 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.637 -22.087 6.836 1.00 0.00 N ATOM 0 H GLN C 470 -14.987 -21.648 7.316 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.243 -23.242 5.101 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.740 -23.654 5.026 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -15.986 -23.989 6.572 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -16.829 -21.934 7.523 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.375 -21.363 5.958 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.507 -21.085 6.696 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.571 -22.462 7.000 1.00 0.00 H new ATOM 280 N VAL C 471 -15.433 -20.318 4.418 1.00 0.00 N ATOM 281 CA VAL C 471 -15.731 -19.405 3.337 1.00 0.00 C ATOM 282 C VAL C 471 -14.513 -18.541 3.008 1.00 0.00 C ATOM 283 O VAL C 471 -13.601 -18.405 3.826 1.00 0.00 O ATOM 284 CB VAL C 471 -16.939 -18.494 3.665 1.00 0.00 C ATOM 285 CG1 VAL C 471 -18.155 -19.317 4.047 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.593 -17.498 4.754 1.00 0.00 C ATOM 0 H VAL C 471 -15.364 -19.881 5.337 1.00 0.00 H new ATOM 0 HA VAL C 471 -15.990 -20.013 2.470 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.185 -17.931 2.764 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.988 -18.652 4.272 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.427 -19.971 3.218 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.925 -19.920 4.925 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.460 -16.872 4.963 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.305 -18.033 5.659 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.764 -16.872 4.424 1.00 0.00 H new ATOM 296 N PRO C 472 -14.472 -17.967 1.798 1.00 0.00 N ATOM 297 CA PRO C 472 -13.375 -17.108 1.358 1.00 0.00 C ATOM 298 C PRO C 472 -13.387 -15.765 2.060 1.00 0.00 C ATOM 299 O PRO C 472 -14.378 -15.028 2.010 1.00 0.00 O ATOM 300 CB PRO C 472 -13.634 -16.921 -0.141 1.00 0.00 C ATOM 301 CG PRO C 472 -14.660 -17.940 -0.479 1.00 0.00 C ATOM 302 CD PRO C 472 -15.475 -18.117 0.760 1.00 0.00 C ATOM 0 HA PRO C 472 -12.403 -17.548 1.582 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.990 -15.914 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.723 -17.069 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.280 -17.610 -1.312 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.195 -18.879 -0.780 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.263 -17.368 0.842 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.958 -19.094 0.796 1.00 0.00 H new ATOM 310 N TYR C 473 -12.273 -15.451 2.682 1.00 0.00 N ATOM 311 CA TYR C 473 -12.096 -14.217 3.444 1.00 0.00 C ATOM 312 C TYR C 473 -12.436 -12.971 2.616 1.00 0.00 C ATOM 313 O TYR C 473 -13.024 -12.022 3.129 1.00 0.00 O ATOM 314 CB TYR C 473 -10.654 -14.150 3.953 1.00 0.00 C ATOM 315 CG TYR C 473 -10.301 -12.906 4.737 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.992 -12.561 5.891 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.252 -12.094 4.335 1.00 0.00 C ATOM 318 CE1 TYR C 473 -10.647 -11.438 6.618 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.906 -10.972 5.053 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.603 -10.648 6.192 1.00 0.00 C ATOM 321 OH TYR C 473 -9.249 -9.533 6.911 1.00 0.00 O ATOM 0 H TYR C 473 -11.447 -16.049 2.678 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.788 -14.230 4.286 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.468 -15.021 4.582 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.981 -14.224 3.099 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -11.812 -13.180 6.225 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.697 -12.346 3.443 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -11.192 -11.182 7.514 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.089 -10.348 4.722 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.829 -9.453 7.697 1.00 0.00 H new ATOM 331 N HIS C 474 -12.093 -12.989 1.335 1.00 0.00 N ATOM 332 CA HIS C 474 -12.345 -11.831 0.474 1.00 0.00 C ATOM 333 C HIS C 474 -13.840 -11.600 0.236 1.00 0.00 C ATOM 334 O HIS C 474 -14.266 -10.472 0.038 1.00 0.00 O ATOM 335 CB HIS C 474 -11.587 -11.935 -0.862 1.00 0.00 C ATOM 336 CG HIS C 474 -12.038 -13.040 -1.785 1.00 0.00 C ATOM 337 ND1 HIS C 474 -11.441 -14.279 -1.831 1.00 0.00 N ATOM 338 CD2 HIS C 474 -13.021 -13.072 -2.716 1.00 0.00 C ATOM 339 CE1 HIS C 474 -12.035 -15.018 -2.744 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.997 -14.311 -3.298 1.00 0.00 N ATOM 0 H HIS C 474 -11.645 -13.779 0.870 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.962 -10.962 1.009 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.683 -10.985 -1.388 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.527 -12.075 -0.648 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.700 -12.267 -2.956 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -11.776 -16.036 -2.997 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -13.621 -14.633 -4.038 1.00 0.00 H new ATOM 349 N LEU C 475 -14.634 -12.666 0.267 1.00 0.00 N ATOM 350 CA LEU C 475 -16.075 -12.529 0.084 1.00 0.00 C ATOM 351 C LEU C 475 -16.691 -11.986 1.352 1.00 0.00 C ATOM 352 O LEU C 475 -17.734 -11.332 1.326 1.00 0.00 O ATOM 353 CB LEU C 475 -16.718 -13.866 -0.279 1.00 0.00 C ATOM 354 CG LEU C 475 -16.306 -14.475 -1.620 1.00 0.00 C ATOM 355 CD1 LEU C 475 -17.048 -15.764 -1.853 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.586 -13.513 -2.755 1.00 0.00 C ATOM 0 H LEU C 475 -14.310 -13.622 0.415 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.255 -11.838 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.484 -14.583 0.508 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.800 -13.736 -0.281 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.235 -14.676 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.747 -16.189 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.814 -16.468 -1.054 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.120 -15.570 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -16.285 -13.967 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.652 -13.286 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -16.023 -12.593 -2.599 1.00 0.00 H new ATOM 368 N VAL C 476 -16.026 -12.251 2.462 1.00 0.00 N ATOM 369 CA VAL C 476 -16.461 -11.736 3.742 1.00 0.00 C ATOM 370 C VAL C 476 -16.197 -10.242 3.759 1.00 0.00 C ATOM 371 O VAL C 476 -17.050 -9.448 4.141 1.00 0.00 O ATOM 372 CB VAL C 476 -15.710 -12.417 4.913 1.00 0.00 C ATOM 373 CG1 VAL C 476 -16.258 -11.952 6.248 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.799 -13.930 4.799 1.00 0.00 C ATOM 0 H VAL C 476 -15.181 -12.821 2.500 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.523 -11.945 3.872 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.661 -12.128 4.856 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.715 -12.444 7.055 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -16.137 -10.872 6.335 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -17.316 -12.205 6.315 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.265 -14.390 5.631 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.845 -14.236 4.826 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.351 -14.251 3.859 1.00 0.00 H new ATOM 384 N LEU C 477 -15.003 -9.876 3.300 1.00 0.00 N ATOM 385 CA LEU C 477 -14.606 -8.484 3.158 1.00 0.00 C ATOM 386 C LEU C 477 -15.586 -7.749 2.249 1.00 0.00 C ATOM 387 O LEU C 477 -15.938 -6.594 2.498 1.00 0.00 O ATOM 388 CB LEU C 477 -13.193 -8.421 2.572 1.00 0.00 C ATOM 389 CG LEU C 477 -12.069 -8.889 3.498 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.745 -8.919 2.757 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.970 -7.986 4.715 1.00 0.00 C ATOM 0 H LEU C 477 -14.284 -10.541 3.016 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.614 -8.002 4.136 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.168 -9.026 1.666 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.989 -7.393 2.274 1.00 0.00 H new ATOM 0 HG LEU C 477 -12.302 -9.900 3.833 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.958 -9.254 3.432 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.816 -9.605 1.913 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.509 -7.919 2.393 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.165 -8.334 5.362 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.762 -6.965 4.395 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.912 -8.009 5.263 1.00 0.00 H new ATOM 403 N GLN C 478 -16.024 -8.437 1.196 1.00 0.00 N ATOM 404 CA GLN C 478 -17.007 -7.901 0.270 1.00 0.00 C ATOM 405 C GLN C 478 -18.284 -7.502 1.003 1.00 0.00 C ATOM 406 O GLN C 478 -18.719 -6.360 0.920 1.00 0.00 O ATOM 407 CB GLN C 478 -17.338 -8.927 -0.817 1.00 0.00 C ATOM 408 CG GLN C 478 -16.325 -9.001 -1.947 1.00 0.00 C ATOM 409 CD GLN C 478 -16.721 -10.020 -2.999 1.00 0.00 C ATOM 410 OE1 GLN C 478 -17.910 -10.283 -3.215 1.00 0.00 O ATOM 411 NE2 GLN C 478 -15.739 -10.601 -3.663 1.00 0.00 N ATOM 0 H GLN C 478 -15.706 -9.378 0.965 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.577 -7.014 -0.195 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -17.421 -9.911 -0.356 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -18.315 -8.689 -1.238 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -16.227 -8.020 -2.411 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -15.347 -9.260 -1.541 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -14.770 -10.358 -3.457 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -15.949 -11.293 -4.382 1.00 0.00 H new ATOM 420 N ASP C 479 -18.867 -8.445 1.742 1.00 0.00 N ATOM 421 CA ASP C 479 -20.116 -8.182 2.462 1.00 0.00 C ATOM 422 C ASP C 479 -19.913 -7.132 3.539 1.00 0.00 C ATOM 423 O ASP C 479 -20.815 -6.372 3.840 1.00 0.00 O ATOM 424 CB ASP C 479 -20.681 -9.454 3.086 1.00 0.00 C ATOM 425 CG ASP C 479 -22.102 -9.255 3.604 1.00 0.00 C ATOM 426 OD1 ASP C 479 -23.051 -9.405 2.801 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.276 -8.947 4.811 1.00 0.00 O ATOM 0 H ASP C 479 -18.500 -9.390 1.859 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.833 -7.807 1.731 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.674 -10.255 2.346 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -20.037 -9.772 3.906 1.00 0.00 H new ATOM 432 N LEU C 480 -18.723 -7.085 4.113 1.00 0.00 N ATOM 433 CA LEU C 480 -18.418 -6.088 5.120 1.00 0.00 C ATOM 434 C LEU C 480 -18.404 -4.685 4.524 1.00 0.00 C ATOM 435 O LEU C 480 -18.543 -3.707 5.237 1.00 0.00 O ATOM 436 CB LEU C 480 -17.103 -6.387 5.838 1.00 0.00 C ATOM 437 CG LEU C 480 -17.226 -7.049 7.210 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.334 -6.413 8.029 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.480 -8.508 7.062 1.00 0.00 C ATOM 0 H LEU C 480 -17.957 -7.723 3.899 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.214 -6.132 5.863 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.501 -7.032 5.198 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.555 -5.452 5.955 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.283 -6.902 7.736 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.397 -6.905 9.000 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.119 -5.354 8.172 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.283 -6.522 7.504 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.565 -8.964 8.048 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.407 -8.662 6.510 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.654 -8.968 6.519 1.00 0.00 H new ATOM 451 N GLN C 481 -18.219 -4.595 3.222 1.00 0.00 N ATOM 452 CA GLN C 481 -18.316 -3.322 2.538 1.00 0.00 C ATOM 453 C GLN C 481 -19.784 -3.005 2.287 1.00 0.00 C ATOM 454 O GLN C 481 -20.195 -1.847 2.260 1.00 0.00 O ATOM 455 CB GLN C 481 -17.567 -3.368 1.208 1.00 0.00 C ATOM 456 CG GLN C 481 -16.054 -3.285 1.336 1.00 0.00 C ATOM 457 CD GLN C 481 -15.565 -1.928 1.825 1.00 0.00 C ATOM 458 OE1 GLN C 481 -14.518 -1.825 2.454 1.00 0.00 O ATOM 459 NE2 GLN C 481 -16.313 -0.879 1.531 1.00 0.00 N ATOM 0 H GLN C 481 -18.001 -5.387 2.618 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.867 -2.548 3.160 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.826 -4.292 0.691 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.912 -2.545 0.582 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.712 -4.057 2.025 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.602 -3.499 0.368 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -17.179 -1.001 1.006 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -16.025 0.053 1.829 1.00 0.00 H new ATOM 468 N LEU C 482 -20.562 -4.063 2.115 1.00 0.00 N ATOM 469 CA LEU C 482 -21.986 -3.974 1.857 1.00 0.00 C ATOM 470 C LEU C 482 -22.771 -3.654 3.126 1.00 0.00 C ATOM 471 O LEU C 482 -23.505 -2.665 3.182 1.00 0.00 O ATOM 472 CB LEU C 482 -22.483 -5.305 1.277 1.00 0.00 C ATOM 473 CG LEU C 482 -22.377 -5.493 -0.244 1.00 0.00 C ATOM 474 CD1 LEU C 482 -23.404 -4.646 -0.950 1.00 0.00 C ATOM 475 CD2 LEU C 482 -20.984 -5.167 -0.757 1.00 0.00 C ATOM 0 H LEU C 482 -20.214 -5.021 2.152 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.148 -3.164 1.146 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -21.927 -6.111 1.756 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.528 -5.427 1.560 1.00 0.00 H new ATOM 0 HG LEU C 482 -22.571 -6.544 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -23.316 -4.790 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -24.402 -4.938 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.237 -3.596 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.951 -5.312 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -20.744 -4.130 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.257 -5.824 -0.280 1.00 0.00 H new ATOM 487 N THR C 483 -22.608 -4.483 4.144 1.00 0.00 N ATOM 488 CA THR C 483 -23.370 -4.342 5.363 1.00 0.00 C ATOM 489 C THR C 483 -22.606 -3.573 6.419 1.00 0.00 C ATOM 490 O THR C 483 -23.205 -2.872 7.239 1.00 0.00 O ATOM 491 CB THR C 483 -23.770 -5.715 5.929 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.597 -6.514 6.141 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.703 -6.433 4.975 1.00 0.00 C ATOM 0 H THR C 483 -21.950 -5.263 4.145 1.00 0.00 H new ATOM 0 HA THR C 483 -24.268 -3.781 5.105 1.00 0.00 H new ATOM 0 HB THR C 483 -24.285 -5.561 6.877 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.646 -7.320 5.586 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.975 -7.402 5.393 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.603 -5.836 4.828 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.203 -6.578 4.017 1.00 0.00 H new ATOM 501 N ARG C 484 -21.272 -3.702 6.397 1.00 0.00 N ATOM 502 CA ARG C 484 -20.413 -3.060 7.380 1.00 0.00 C ATOM 503 C ARG C 484 -20.761 -3.524 8.791 1.00 0.00 C ATOM 504 O ARG C 484 -20.492 -2.834 9.779 1.00 0.00 O ATOM 505 CB ARG C 484 -20.501 -1.549 7.245 1.00 0.00 C ATOM 506 CG ARG C 484 -19.968 -1.048 5.918 1.00 0.00 C ATOM 507 CD ARG C 484 -20.189 0.431 5.740 1.00 0.00 C ATOM 508 NE ARG C 484 -21.600 0.761 5.552 1.00 0.00 N ATOM 509 CZ ARG C 484 -22.053 1.648 4.662 1.00 0.00 C ATOM 510 NH1 ARG C 484 -21.203 2.341 3.903 1.00 0.00 N ATOM 511 NH2 ARG C 484 -23.357 1.854 4.546 1.00 0.00 N ATOM 0 H ARG C 484 -20.769 -4.251 5.700 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.380 -3.353 7.191 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.540 -1.239 7.355 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.941 -1.083 8.056 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -18.902 -1.265 5.851 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.455 -1.587 5.105 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.807 0.961 6.613 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -19.618 0.781 4.880 1.00 0.00 H new ATOM 0 HE ARG C 484 -22.284 0.283 6.139 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -20.198 2.196 4.000 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -21.558 3.016 3.226 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -24.009 1.336 5.135 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -23.708 2.530 3.868 1.00 0.00 H new ATOM 525 N SER C 485 -21.335 -4.716 8.871 1.00 0.00 N ATOM 526 CA SER C 485 -21.731 -5.297 10.127 1.00 0.00 C ATOM 527 C SER C 485 -21.361 -6.766 10.153 1.00 0.00 C ATOM 528 O SER C 485 -22.038 -7.582 9.530 1.00 0.00 O ATOM 529 CB SER C 485 -23.241 -5.145 10.326 1.00 0.00 C ATOM 530 OG SER C 485 -23.629 -5.503 11.645 1.00 0.00 O ATOM 0 H SER C 485 -21.536 -5.301 8.060 1.00 0.00 H new ATOM 0 HA SER C 485 -21.212 -4.778 10.933 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.534 -4.114 10.126 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.769 -5.771 9.607 1.00 0.00 H new ATOM 0 HG SER C 485 -24.563 -5.245 11.793 1.00 0.00 H new ATOM 536 N VAL C 486 -20.283 -7.108 10.864 1.00 0.00 N ATOM 537 CA VAL C 486 -19.847 -8.500 10.965 1.00 0.00 C ATOM 538 C VAL C 486 -20.970 -9.388 11.497 1.00 0.00 C ATOM 539 O VAL C 486 -21.063 -10.565 11.149 1.00 0.00 O ATOM 540 CB VAL C 486 -18.585 -8.662 11.854 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.501 -7.709 11.423 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.895 -8.490 13.331 1.00 0.00 C ATOM 0 H VAL C 486 -19.701 -6.444 11.374 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.586 -8.816 9.955 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.228 -9.683 11.718 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.626 -7.841 12.060 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.229 -7.912 10.387 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.862 -6.684 11.509 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.981 -8.612 13.911 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.304 -7.494 13.503 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.624 -9.240 13.640 1.00 0.00 H new ATOM 552 N GLU C 487 -21.827 -8.803 12.324 1.00 0.00 N ATOM 553 CA GLU C 487 -22.963 -9.507 12.885 1.00 0.00 C ATOM 554 C GLU C 487 -23.895 -9.969 11.775 1.00 0.00 C ATOM 555 O GLU C 487 -24.306 -11.131 11.740 1.00 0.00 O ATOM 556 CB GLU C 487 -23.704 -8.596 13.855 1.00 0.00 C ATOM 557 CG GLU C 487 -22.853 -8.144 15.028 1.00 0.00 C ATOM 558 CD GLU C 487 -22.449 -9.290 15.924 1.00 0.00 C ATOM 559 OE1 GLU C 487 -23.201 -9.594 16.876 1.00 0.00 O ATOM 560 OE2 GLU C 487 -21.385 -9.897 15.687 1.00 0.00 O ATOM 0 H GLU C 487 -21.751 -7.830 12.621 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.608 -10.385 13.425 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.062 -7.719 13.316 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.583 -9.118 14.233 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -21.958 -7.647 14.653 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -23.406 -7.408 15.612 1.00 0.00 H new ATOM 567 N ILE C 488 -24.204 -9.063 10.856 1.00 0.00 N ATOM 568 CA ILE C 488 -25.051 -9.397 9.729 1.00 0.00 C ATOM 569 C ILE C 488 -24.314 -10.344 8.808 1.00 0.00 C ATOM 570 O ILE C 488 -24.818 -11.386 8.483 1.00 0.00 O ATOM 571 CB ILE C 488 -25.478 -8.149 8.925 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.155 -7.125 9.841 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.418 -8.548 7.788 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.592 -5.859 9.130 1.00 0.00 C ATOM 0 H ILE C 488 -23.880 -8.096 10.873 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.952 -9.864 10.127 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.586 -7.691 8.497 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -27.025 -7.588 10.306 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.467 -6.860 10.644 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.711 -7.659 7.229 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.908 -9.244 7.121 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.306 -9.026 8.201 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.062 -5.184 9.845 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.723 -5.371 8.688 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.305 -6.110 8.345 1.00 0.00 H new ATOM 586 N THR C 489 -23.108 -9.954 8.408 1.00 0.00 N ATOM 587 CA THR C 489 -22.243 -10.750 7.546 1.00 0.00 C ATOM 588 C THR C 489 -22.166 -12.225 7.978 1.00 0.00 C ATOM 589 O THR C 489 -22.258 -13.115 7.143 1.00 0.00 O ATOM 590 CB THR C 489 -20.831 -10.156 7.520 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.908 -8.774 7.163 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.948 -10.883 6.518 1.00 0.00 C ATOM 0 H THR C 489 -22.698 -9.060 8.679 1.00 0.00 H new ATOM 0 HA THR C 489 -22.684 -10.721 6.550 1.00 0.00 H new ATOM 0 HB THR C 489 -20.392 -10.268 8.511 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.286 -8.689 6.263 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.952 -10.440 6.522 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.877 -11.936 6.792 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.380 -10.796 5.521 1.00 0.00 H new ATOM 600 N THR C 490 -22.018 -12.478 9.276 1.00 0.00 N ATOM 601 CA THR C 490 -21.929 -13.848 9.760 1.00 0.00 C ATOM 602 C THR C 490 -23.240 -14.598 9.493 1.00 0.00 C ATOM 603 O THR C 490 -23.234 -15.735 9.008 1.00 0.00 O ATOM 604 CB THR C 490 -21.583 -13.903 11.262 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.420 -13.094 11.521 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.291 -15.332 11.679 1.00 0.00 C ATOM 0 H THR C 490 -21.958 -11.762 10.000 1.00 0.00 H new ATOM 0 HA THR C 490 -21.121 -14.335 9.214 1.00 0.00 H new ATOM 0 HB THR C 490 -22.433 -13.525 11.831 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.691 -12.159 11.637 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.048 -15.359 12.741 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.168 -15.952 11.492 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.447 -15.714 11.104 1.00 0.00 H new ATOM 614 N ASP C 491 -24.353 -13.940 9.779 1.00 0.00 N ATOM 615 CA ASP C 491 -25.677 -14.508 9.512 1.00 0.00 C ATOM 616 C ASP C 491 -25.889 -14.581 8.013 1.00 0.00 C ATOM 617 O ASP C 491 -26.473 -15.524 7.497 1.00 0.00 O ATOM 618 CB ASP C 491 -26.762 -13.641 10.157 1.00 0.00 C ATOM 619 CG ASP C 491 -28.166 -14.134 9.873 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.474 -15.301 10.198 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.975 -13.349 9.341 1.00 0.00 O ATOM 0 H ASP C 491 -24.372 -13.010 10.197 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.738 -15.509 9.938 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.604 -13.615 11.235 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.663 -12.617 9.795 1.00 0.00 H new ATOM 626 N ASN C 492 -25.379 -13.571 7.333 1.00 0.00 N ATOM 627 CA ASN C 492 -25.420 -13.472 5.891 1.00 0.00 C ATOM 628 C ASN C 492 -24.800 -14.718 5.267 1.00 0.00 C ATOM 629 O ASN C 492 -25.387 -15.340 4.385 1.00 0.00 O ATOM 630 CB ASN C 492 -24.668 -12.209 5.437 1.00 0.00 C ATOM 631 CG ASN C 492 -25.585 -11.121 4.926 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.694 -11.390 4.444 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.122 -9.892 4.998 1.00 0.00 N ATOM 0 H ASN C 492 -24.915 -12.781 7.780 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.457 -13.400 5.562 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -24.085 -11.821 6.272 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -23.961 -12.477 4.652 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.682 -9.115 4.649 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.203 -9.716 5.403 1.00 0.00 H new ATOM 640 N ILE C 493 -23.612 -15.081 5.748 1.00 0.00 N ATOM 641 CA ILE C 493 -22.918 -16.288 5.302 1.00 0.00 C ATOM 642 C ILE C 493 -23.824 -17.502 5.461 1.00 0.00 C ATOM 643 O ILE C 493 -23.999 -18.298 4.535 1.00 0.00 O ATOM 644 CB ILE C 493 -21.642 -16.540 6.143 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.669 -15.377 6.032 1.00 0.00 C ATOM 646 CG2 ILE C 493 -20.966 -17.831 5.719 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.535 -15.451 7.033 1.00 0.00 C ATOM 0 H ILE C 493 -23.105 -14.549 6.455 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.648 -16.141 4.256 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.947 -16.630 7.186 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.255 -15.353 5.024 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.212 -14.443 6.176 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.072 -17.989 6.322 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.653 -18.665 5.863 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.687 -17.767 4.667 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.877 -14.592 6.901 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -19.941 -15.445 8.044 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -18.970 -16.369 6.875 1.00 0.00 H new ATOM 659 N LEU C 494 -24.404 -17.611 6.640 1.00 0.00 N ATOM 660 CA LEU C 494 -25.271 -18.717 7.004 1.00 0.00 C ATOM 661 C LEU C 494 -26.550 -18.746 6.159 1.00 0.00 C ATOM 662 O LEU C 494 -27.080 -19.813 5.861 1.00 0.00 O ATOM 663 CB LEU C 494 -25.589 -18.622 8.493 1.00 0.00 C ATOM 664 CG LEU C 494 -24.378 -18.788 9.415 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.699 -18.331 10.824 1.00 0.00 C ATOM 666 CD2 LEU C 494 -23.908 -20.234 9.419 1.00 0.00 C ATOM 0 H LEU C 494 -24.285 -16.924 7.384 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.753 -19.654 6.801 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.050 -17.655 8.692 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.327 -19.384 8.743 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.573 -18.160 9.032 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.821 -18.460 11.457 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.984 -17.279 10.809 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.523 -18.925 11.220 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.047 -20.335 10.079 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.714 -20.877 9.773 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.626 -20.528 8.408 1.00 0.00 H new ATOM 678 N GLU C 495 -27.033 -17.576 5.774 1.00 0.00 N ATOM 679 CA GLU C 495 -28.216 -17.473 4.922 1.00 0.00 C ATOM 680 C GLU C 495 -27.876 -17.831 3.480 1.00 0.00 C ATOM 681 O GLU C 495 -28.758 -18.123 2.671 1.00 0.00 O ATOM 682 CB GLU C 495 -28.787 -16.061 4.979 1.00 0.00 C ATOM 683 CG GLU C 495 -29.379 -15.688 6.323 1.00 0.00 C ATOM 684 CD GLU C 495 -30.628 -16.472 6.646 1.00 0.00 C ATOM 685 OE1 GLU C 495 -31.710 -16.098 6.150 1.00 0.00 O ATOM 686 OE2 GLU C 495 -30.542 -17.459 7.411 1.00 0.00 O ATOM 0 H GLU C 495 -26.625 -16.679 6.037 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.962 -18.177 5.291 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -27.998 -15.351 4.732 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.557 -15.961 4.214 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -28.636 -15.858 7.103 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -29.611 -14.623 6.330 1.00 0.00 H new ATOM 693 N GLY C 496 -26.593 -17.807 3.166 1.00 0.00 N ATOM 694 CA GLY C 496 -26.152 -18.113 1.826 1.00 0.00 C ATOM 695 C GLY C 496 -25.893 -16.868 1.014 1.00 0.00 C ATOM 696 O GLY C 496 -25.980 -16.885 -0.212 1.00 0.00 O ATOM 0 H GLY C 496 -25.845 -17.579 3.821 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.242 -18.711 1.872 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -26.907 -18.720 1.326 1.00 0.00 H new ATOM 700 N ARG C 497 -25.602 -15.777 1.705 1.00 0.00 N ATOM 701 CA ARG C 497 -25.272 -14.519 1.055 1.00 0.00 C ATOM 702 C ARG C 497 -23.884 -14.622 0.453 1.00 0.00 C ATOM 703 O ARG C 497 -23.611 -14.086 -0.616 1.00 0.00 O ATOM 704 CB ARG C 497 -25.315 -13.380 2.072 1.00 0.00 C ATOM 705 CG ARG C 497 -25.102 -12.001 1.484 1.00 0.00 C ATOM 706 CD ARG C 497 -26.308 -11.554 0.696 1.00 0.00 C ATOM 707 NE ARG C 497 -27.511 -11.491 1.531 1.00 0.00 N ATOM 708 CZ ARG C 497 -28.759 -11.480 1.055 1.00 0.00 C ATOM 709 NH1 ARG C 497 -28.975 -11.503 -0.259 1.00 0.00 N ATOM 710 NH2 ARG C 497 -29.789 -11.440 1.896 1.00 0.00 N ATOM 0 H ARG C 497 -25.588 -15.738 2.724 1.00 0.00 H new ATOM 0 HA ARG C 497 -25.998 -14.313 0.268 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.280 -13.399 2.579 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.553 -13.559 2.830 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -24.902 -11.288 2.284 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.224 -12.010 0.838 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -26.115 -10.573 0.262 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.476 -12.242 -0.133 1.00 0.00 H new ATOM 0 HE ARG C 497 -27.387 -11.453 2.543 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -28.186 -11.529 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -29.929 -11.495 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -29.625 -11.418 2.902 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -30.743 -11.432 1.534 1.00 0.00 H new ATOM 724 N ILE C 498 -23.015 -15.317 1.162 1.00 0.00 N ATOM 725 CA ILE C 498 -21.664 -15.550 0.714 1.00 0.00 C ATOM 726 C ILE C 498 -21.565 -16.958 0.140 1.00 0.00 C ATOM 727 O ILE C 498 -21.549 -17.943 0.881 1.00 0.00 O ATOM 728 CB ILE C 498 -20.619 -15.370 1.868 1.00 0.00 C ATOM 729 CG1 ILE C 498 -20.499 -13.892 2.305 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.250 -15.902 1.452 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.698 -13.350 3.056 1.00 0.00 C ATOM 0 H ILE C 498 -23.231 -15.735 2.067 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.430 -14.810 -0.052 1.00 0.00 H new ATOM 0 HB ILE C 498 -20.980 -15.948 2.719 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -19.616 -13.785 2.934 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -20.336 -13.278 1.419 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.543 -15.765 2.270 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.329 -16.963 1.214 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -18.900 -15.358 0.575 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.521 -12.307 3.320 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.584 -13.419 2.425 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -21.853 -13.933 3.964 1.00 0.00 H new