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 -117:sc= 1.19 USER MOD Set 1.2: C 489 THR OG1 : rot -61:sc= 1.25 USER MOD Set 2.1: C 458 ASN : amide:sc= 1.05 X(o=1.7,f=2.1) USER MOD Set 2.2: C 462 HIS : no HD1:sc= -0.507 X(o=1.7,f=2.2) USER MOD Set 2.3: C 473 TYR OH : rot -147:sc= 1.2 USER MOD Single : C 456 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 460 MET CE :methyl 166:sc= -3.25! (180deg=-4.09!) USER MOD Single : C 463 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.33) USER MOD Single : C 465 GLN : amide:sc= 0.844 K(o=0.84,f=-2.1) USER MOD Single : C 467 MET CE :methyl -175:sc= -0.885 (180deg=-0.925) USER MOD Single : C 470 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.96) USER MOD Single : C 474 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.035) USER MOD Single : C 478 GLN : amide:sc= -0.918 K(o=-0.92,f=0) USER MOD Single : C 481 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.33) USER MOD Single : C 485 SER OG : rot 160:sc= -0.353 USER MOD Single : C 490 THR OG1 : rot 89:sc= 1.24 USER MOD Single : C 492 ASN : amide:sc= -4.73! C(o=-4.7!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.132 -1.442 8.819 1.00 0.00 N ATOM 40 CA GLN C 456 -11.179 -1.774 9.766 1.00 0.00 C ATOM 41 C GLN C 456 -11.920 -3.012 9.286 1.00 0.00 C ATOM 42 O GLN C 456 -12.208 -3.918 10.061 1.00 0.00 O ATOM 43 CB GLN C 456 -12.157 -0.608 9.898 1.00 0.00 C ATOM 44 CG GLN C 456 -13.213 -0.792 10.969 1.00 0.00 C ATOM 45 CD GLN C 456 -14.274 0.284 10.914 1.00 0.00 C ATOM 46 OE1 GLN C 456 -14.012 1.410 10.482 1.00 0.00 O ATOM 47 NE2 GLN C 456 -15.469 -0.044 11.354 1.00 0.00 N ATOM 0 HA GLN C 456 -10.731 -1.971 10.740 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -11.593 0.300 10.113 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -12.653 -0.456 8.939 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -13.682 -1.769 10.851 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -12.739 -0.783 11.950 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -15.643 -0.987 11.703 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -16.222 0.644 11.346 1.00 0.00 H new ATOM 56 N LEU C 457 -12.205 -3.042 7.987 1.00 0.00 N ATOM 57 CA LEU C 457 -12.911 -4.160 7.369 1.00 0.00 C ATOM 58 C LEU C 457 -12.165 -5.459 7.589 1.00 0.00 C ATOM 59 O LEU C 457 -12.753 -6.459 7.983 1.00 0.00 O ATOM 60 CB LEU C 457 -13.080 -3.920 5.878 1.00 0.00 C ATOM 61 CG LEU C 457 -13.751 -2.612 5.490 1.00 0.00 C ATOM 62 CD1 LEU C 457 -13.852 -2.510 3.998 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.122 -2.498 6.122 1.00 0.00 C ATOM 0 H LEU C 457 -11.955 -2.297 7.337 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.893 -4.235 7.837 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.096 -3.955 5.410 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.661 -4.742 5.460 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.140 -1.789 5.861 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -14.334 -1.570 3.729 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -12.853 -2.543 3.563 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.442 -3.343 3.616 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.580 -1.554 5.829 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.748 -3.325 5.786 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -15.026 -2.533 7.207 1.00 0.00 H new ATOM 75 N ASN C 458 -10.861 -5.432 7.336 1.00 0.00 N ATOM 76 CA ASN C 458 -10.020 -6.606 7.529 1.00 0.00 C ATOM 77 C ASN C 458 -10.076 -7.074 8.962 1.00 0.00 C ATOM 78 O ASN C 458 -10.231 -8.264 9.225 1.00 0.00 O ATOM 79 CB ASN C 458 -8.570 -6.326 7.125 1.00 0.00 C ATOM 80 CG ASN C 458 -8.333 -6.501 5.637 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.029 -7.598 5.176 1.00 0.00 O ATOM 82 ND2 ASN C 458 -8.457 -5.432 4.883 1.00 0.00 N ATOM 0 H ASN C 458 -10.364 -4.609 6.996 1.00 0.00 H new ATOM 0 HA ASN C 458 -10.407 -7.395 6.885 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.307 -5.308 7.414 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.908 -6.995 7.675 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -8.299 -5.496 3.877 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -8.711 -4.538 5.303 1.00 0.00 H new ATOM 89 N ALA C 459 -9.971 -6.130 9.889 1.00 0.00 N ATOM 90 CA ALA C 459 -10.034 -6.440 11.306 1.00 0.00 C ATOM 91 C ALA C 459 -11.336 -7.146 11.634 1.00 0.00 C ATOM 92 O ALA C 459 -11.338 -8.188 12.281 1.00 0.00 O ATOM 93 CB ALA C 459 -9.895 -5.172 12.132 1.00 0.00 C ATOM 0 H ALA C 459 -9.841 -5.140 9.680 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.207 -7.106 11.553 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.944 -5.421 13.192 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.937 -4.699 11.914 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.704 -4.485 11.883 1.00 0.00 H new ATOM 99 N MET C 460 -12.437 -6.582 11.151 1.00 0.00 N ATOM 100 CA MET C 460 -13.759 -7.144 11.376 1.00 0.00 C ATOM 101 C MET C 460 -13.885 -8.530 10.752 1.00 0.00 C ATOM 102 O MET C 460 -14.366 -9.473 11.391 1.00 0.00 O ATOM 103 CB MET C 460 -14.833 -6.220 10.802 1.00 0.00 C ATOM 104 CG MET C 460 -14.875 -4.843 11.442 1.00 0.00 C ATOM 105 SD MET C 460 -16.456 -4.012 11.208 1.00 0.00 S ATOM 106 CE MET C 460 -16.483 -3.842 9.434 1.00 0.00 C ATOM 0 H MET C 460 -12.437 -5.727 10.595 1.00 0.00 H new ATOM 0 HA MET C 460 -13.901 -7.238 12.453 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.664 -6.106 9.731 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.807 -6.694 10.922 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.674 -4.937 12.509 1.00 0.00 H new ATOM 0 HG3 MET C 460 -14.080 -4.227 11.021 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.489 -3.578 9.109 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.787 -3.059 9.133 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.189 -4.785 8.974 1.00 0.00 H new ATOM 116 N ALA C 461 -13.445 -8.647 9.504 1.00 0.00 N ATOM 117 CA ALA C 461 -13.515 -9.898 8.769 1.00 0.00 C ATOM 118 C ALA C 461 -12.730 -11.005 9.458 1.00 0.00 C ATOM 119 O ALA C 461 -13.108 -12.169 9.386 1.00 0.00 O ATOM 120 CB ALA C 461 -13.017 -9.704 7.349 1.00 0.00 C ATOM 0 H ALA C 461 -13.031 -7.878 8.977 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.561 -10.205 8.742 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -13.075 -10.650 6.811 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.635 -8.961 6.845 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.982 -9.362 7.370 1.00 0.00 H new ATOM 126 N HIS C 462 -11.637 -10.638 10.131 1.00 0.00 N ATOM 127 CA HIS C 462 -10.812 -11.621 10.835 1.00 0.00 C ATOM 128 C HIS C 462 -11.633 -12.435 11.829 1.00 0.00 C ATOM 129 O HIS C 462 -11.576 -13.651 11.818 1.00 0.00 O ATOM 130 CB HIS C 462 -9.616 -10.967 11.545 1.00 0.00 C ATOM 131 CG HIS C 462 -8.436 -10.699 10.652 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.732 -11.697 10.015 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.836 -9.542 10.295 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.755 -11.164 9.310 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.795 -9.857 9.461 1.00 0.00 N ATOM 0 H HIS C 462 -11.305 -9.676 10.203 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.423 -12.298 10.074 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.942 -10.026 11.988 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -9.298 -11.612 12.364 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.124 -8.550 10.610 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.041 -11.708 8.709 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -6.157 -9.189 9.029 1.00 0.00 H new ATOM 144 N GLN C 463 -12.418 -11.757 12.669 1.00 0.00 N ATOM 145 CA GLN C 463 -13.241 -12.450 13.672 1.00 0.00 C ATOM 146 C GLN C 463 -14.169 -13.460 13.016 1.00 0.00 C ATOM 147 O GLN C 463 -14.323 -14.585 13.502 1.00 0.00 O ATOM 148 CB GLN C 463 -14.073 -11.463 14.509 1.00 0.00 C ATOM 149 CG GLN C 463 -13.284 -10.666 15.543 1.00 0.00 C ATOM 150 CD GLN C 463 -12.425 -9.585 14.933 1.00 0.00 C ATOM 151 OE1 GLN C 463 -12.872 -8.450 14.755 1.00 0.00 O ATOM 152 NE2 GLN C 463 -11.189 -9.916 14.626 1.00 0.00 N ATOM 0 H GLN C 463 -12.504 -10.741 12.678 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.552 -12.972 14.335 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.566 -10.764 13.834 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.858 -12.018 15.023 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.979 -10.213 16.250 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.650 -11.347 16.111 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.860 -10.867 14.790 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -10.560 -9.221 14.224 1.00 0.00 H new ATOM 161 N ILE C 464 -14.776 -13.059 11.913 1.00 0.00 N ATOM 162 CA ILE C 464 -15.684 -13.926 11.187 1.00 0.00 C ATOM 163 C ILE C 464 -14.927 -15.082 10.552 1.00 0.00 C ATOM 164 O ILE C 464 -15.317 -16.229 10.687 1.00 0.00 O ATOM 165 CB ILE C 464 -16.435 -13.167 10.083 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.116 -11.920 10.645 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.463 -14.080 9.424 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.675 -11.025 9.570 1.00 0.00 C ATOM 0 H ILE C 464 -14.655 -12.134 11.500 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.407 -14.304 11.910 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.711 -12.849 9.332 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.921 -12.222 11.315 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.398 -11.358 11.242 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.989 -13.531 8.643 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.957 -14.940 8.985 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -18.178 -14.422 10.172 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.146 -10.156 10.029 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.869 -10.696 8.914 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.415 -11.574 8.988 1.00 0.00 H new ATOM 180 N GLN C 465 -13.829 -14.762 9.873 1.00 0.00 N ATOM 181 CA GLN C 465 -13.009 -15.763 9.190 1.00 0.00 C ATOM 182 C GLN C 465 -12.468 -16.792 10.181 1.00 0.00 C ATOM 183 O GLN C 465 -12.224 -17.948 9.833 1.00 0.00 O ATOM 184 CB GLN C 465 -11.846 -15.079 8.466 1.00 0.00 C ATOM 185 CG GLN C 465 -11.095 -15.984 7.501 1.00 0.00 C ATOM 186 CD GLN C 465 -11.973 -16.474 6.366 1.00 0.00 C ATOM 187 OE1 GLN C 465 -12.910 -15.799 5.954 1.00 0.00 O ATOM 188 NE2 GLN C 465 -11.669 -17.644 5.848 1.00 0.00 N ATOM 0 H GLN C 465 -13.482 -13.807 9.780 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.635 -16.280 8.463 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.230 -14.219 7.917 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -11.145 -14.696 9.208 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.242 -15.444 7.090 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.698 -16.841 8.045 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.882 -18.176 6.218 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.221 -18.019 5.076 1.00 0.00 H new ATOM 197 N GLU C 466 -12.279 -16.360 11.413 1.00 0.00 N ATOM 198 CA GLU C 466 -11.799 -17.227 12.462 1.00 0.00 C ATOM 199 C GLU C 466 -12.881 -18.204 12.916 1.00 0.00 C ATOM 200 O GLU C 466 -12.584 -19.316 13.352 1.00 0.00 O ATOM 201 CB GLU C 466 -11.288 -16.394 13.629 1.00 0.00 C ATOM 202 CG GLU C 466 -9.993 -15.663 13.317 1.00 0.00 C ATOM 203 CD GLU C 466 -8.920 -16.589 12.789 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.259 -17.269 13.604 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.735 -16.654 11.553 1.00 0.00 O ATOM 0 H GLU C 466 -12.454 -15.400 11.710 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.974 -17.821 12.068 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.050 -15.667 13.910 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -11.133 -17.043 14.491 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.188 -14.882 12.583 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.631 -15.169 14.219 1.00 0.00 H new ATOM 212 N MET C 467 -14.131 -17.791 12.796 1.00 0.00 N ATOM 213 CA MET C 467 -15.253 -18.638 13.162 1.00 0.00 C ATOM 214 C MET C 467 -15.717 -19.446 11.960 1.00 0.00 C ATOM 215 O MET C 467 -16.139 -20.593 12.088 1.00 0.00 O ATOM 216 CB MET C 467 -16.413 -17.797 13.687 1.00 0.00 C ATOM 217 CG MET C 467 -16.091 -16.989 14.929 1.00 0.00 C ATOM 218 SD MET C 467 -17.518 -16.085 15.560 1.00 0.00 S ATOM 219 CE MET C 467 -17.889 -15.014 14.174 1.00 0.00 C ATOM 0 H MET C 467 -14.395 -16.870 12.446 1.00 0.00 H new ATOM 0 HA MET C 467 -14.923 -19.317 13.948 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.737 -17.116 12.900 1.00 0.00 H new ATOM 0 HB3 MET C 467 -17.254 -18.456 13.905 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.717 -17.657 15.705 1.00 0.00 H new ATOM 0 HG3 MET C 467 -15.291 -16.284 14.702 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.694 -14.331 14.447 1.00 0.00 H new ATOM 0 HE2 MET C 467 -17.001 -14.441 13.909 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.199 -15.617 13.321 1.00 0.00 H new ATOM 229 N PHE C 468 -15.624 -18.836 10.789 1.00 0.00 N ATOM 230 CA PHE C 468 -16.049 -19.454 9.548 1.00 0.00 C ATOM 231 C PHE C 468 -14.908 -19.500 8.534 1.00 0.00 C ATOM 232 O PHE C 468 -14.904 -18.752 7.563 1.00 0.00 O ATOM 233 CB PHE C 468 -17.234 -18.685 8.950 1.00 0.00 C ATOM 234 CG PHE C 468 -18.525 -18.876 9.687 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.749 -18.251 10.899 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.513 -19.687 9.166 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.934 -18.432 11.578 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.701 -19.873 9.839 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.912 -19.244 11.047 1.00 0.00 C ATOM 0 H PHE C 468 -15.250 -17.894 10.675 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.354 -20.476 9.773 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.992 -17.622 8.933 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.370 -18.997 7.915 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.986 -17.613 11.319 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.353 -20.182 8.219 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -20.096 -17.938 12.525 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.466 -20.511 9.420 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.842 -19.387 11.576 1.00 0.00 H new ATOM 249 N PRO C 469 -13.917 -20.382 8.744 1.00 0.00 N ATOM 250 CA PRO C 469 -12.788 -20.522 7.835 1.00 0.00 C ATOM 251 C PRO C 469 -13.205 -21.202 6.543 1.00 0.00 C ATOM 252 O PRO C 469 -12.439 -21.266 5.577 1.00 0.00 O ATOM 253 CB PRO C 469 -11.796 -21.411 8.602 1.00 0.00 C ATOM 254 CG PRO C 469 -12.332 -21.496 9.990 1.00 0.00 C ATOM 255 CD PRO C 469 -13.805 -21.285 9.879 1.00 0.00 C ATOM 0 HA PRO C 469 -12.368 -19.557 7.552 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.722 -22.399 8.148 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.795 -20.981 8.593 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.110 -22.466 10.435 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.877 -20.740 10.630 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.336 -22.221 9.705 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -14.220 -20.847 10.787 1.00 0.00 H new ATOM 263 N GLN C 470 -14.429 -21.711 6.539 1.00 0.00 N ATOM 264 CA GLN C 470 -14.985 -22.408 5.388 1.00 0.00 C ATOM 265 C GLN C 470 -15.278 -21.455 4.233 1.00 0.00 C ATOM 266 O GLN C 470 -15.438 -21.885 3.095 1.00 0.00 O ATOM 267 CB GLN C 470 -16.259 -23.163 5.777 1.00 0.00 C ATOM 268 CG GLN C 470 -17.391 -22.271 6.261 1.00 0.00 C ATOM 269 CD GLN C 470 -18.687 -23.033 6.467 1.00 0.00 C ATOM 270 OE1 GLN C 470 -18.960 -24.019 5.780 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.489 -22.588 7.413 1.00 0.00 N ATOM 0 H GLN C 470 -15.065 -21.652 7.334 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.233 -23.122 5.051 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.605 -23.735 4.916 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.017 -23.881 6.561 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.100 -21.797 7.198 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.554 -21.473 5.537 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.227 -21.768 7.960 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.372 -23.063 7.598 1.00 0.00 H new ATOM 280 N VAL C 471 -15.354 -20.169 4.524 1.00 0.00 N ATOM 281 CA VAL C 471 -15.634 -19.194 3.497 1.00 0.00 C ATOM 282 C VAL C 471 -14.355 -18.475 3.076 1.00 0.00 C ATOM 283 O VAL C 471 -13.348 -18.517 3.789 1.00 0.00 O ATOM 284 CB VAL C 471 -16.690 -18.162 3.952 1.00 0.00 C ATOM 285 CG1 VAL C 471 -17.948 -18.855 4.438 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.132 -17.241 5.016 1.00 0.00 C ATOM 0 H VAL C 471 -15.226 -19.781 5.459 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.041 -19.736 2.643 1.00 0.00 H new ATOM 0 HB VAL C 471 -16.953 -17.550 3.089 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.676 -18.108 4.753 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.369 -19.454 3.630 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.705 -19.502 5.281 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -16.898 -16.526 5.316 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.825 -17.829 5.881 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.271 -16.704 4.618 1.00 0.00 H new ATOM 296 N PRO C 472 -14.363 -17.847 1.896 1.00 0.00 N ATOM 297 CA PRO C 472 -13.225 -17.097 1.382 1.00 0.00 C ATOM 298 C PRO C 472 -13.096 -15.734 2.046 1.00 0.00 C ATOM 299 O PRO C 472 -14.037 -14.927 2.034 1.00 0.00 O ATOM 300 CB PRO C 472 -13.544 -16.932 -0.115 1.00 0.00 C ATOM 301 CG PRO C 472 -14.727 -17.806 -0.350 1.00 0.00 C ATOM 302 CD PRO C 472 -15.459 -17.836 0.951 1.00 0.00 C ATOM 0 HA PRO C 472 -12.281 -17.607 1.573 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.765 -15.893 -0.360 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.700 -17.234 -0.735 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.357 -17.410 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.422 -18.808 -0.653 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.103 -16.966 1.080 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.092 -18.718 1.046 1.00 0.00 H new ATOM 310 N TYR C 473 -11.923 -15.483 2.589 1.00 0.00 N ATOM 311 CA TYR C 473 -11.607 -14.250 3.308 1.00 0.00 C ATOM 312 C TYR C 473 -11.986 -12.990 2.509 1.00 0.00 C ATOM 313 O TYR C 473 -12.602 -12.069 3.049 1.00 0.00 O ATOM 314 CB TYR C 473 -10.114 -14.237 3.661 1.00 0.00 C ATOM 315 CG TYR C 473 -9.659 -13.047 4.481 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.131 -12.841 5.771 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.745 -12.137 3.964 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.707 -11.762 6.522 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.314 -11.059 4.710 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.797 -10.876 5.985 1.00 0.00 C ATOM 321 OH TYR C 473 -8.366 -9.801 6.731 1.00 0.00 O ATOM 0 H TYR C 473 -11.142 -16.138 2.546 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.204 -14.231 4.220 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.878 -15.149 4.210 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.537 -14.264 2.736 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.841 -13.536 6.194 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.366 -12.276 2.962 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -10.085 -11.613 7.523 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -7.601 -10.362 4.295 1.00 0.00 H new ATOM 0 HH TYR C 473 -8.190 -9.041 6.138 1.00 0.00 H new ATOM 331 N HIS C 474 -11.639 -12.957 1.225 1.00 0.00 N ATOM 332 CA HIS C 474 -11.932 -11.774 0.398 1.00 0.00 C ATOM 333 C HIS C 474 -13.426 -11.570 0.158 1.00 0.00 C ATOM 334 O HIS C 474 -13.867 -10.445 -0.062 1.00 0.00 O ATOM 335 CB HIS C 474 -11.160 -11.774 -0.935 1.00 0.00 C ATOM 336 CG HIS C 474 -11.314 -13.007 -1.789 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.271 -13.860 -2.061 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.383 -13.507 -2.456 1.00 0.00 C ATOM 339 CE1 HIS C 474 -10.684 -14.825 -2.856 1.00 0.00 C ATOM 340 NE2 HIS C 474 -11.962 -14.635 -3.110 1.00 0.00 N ATOM 0 H HIS C 474 -11.164 -13.716 0.736 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.579 -10.925 0.983 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -11.481 -10.910 -1.518 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -10.101 -11.636 -0.718 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.381 -13.093 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -10.078 -15.634 -3.235 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -12.544 -15.231 -3.698 1.00 0.00 H new ATOM 349 N LEU C 475 -14.210 -12.639 0.211 1.00 0.00 N ATOM 350 CA LEU C 475 -15.644 -12.500 0.024 1.00 0.00 C ATOM 351 C LEU C 475 -16.271 -11.917 1.270 1.00 0.00 C ATOM 352 O LEU C 475 -17.296 -11.239 1.208 1.00 0.00 O ATOM 353 CB LEU C 475 -16.305 -13.830 -0.340 1.00 0.00 C ATOM 354 CG LEU C 475 -15.990 -14.383 -1.735 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.890 -15.564 -2.051 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.147 -13.300 -2.794 1.00 0.00 C ATOM 0 H LEU C 475 -13.885 -13.591 0.378 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.808 -11.821 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.007 -14.574 0.399 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.385 -13.711 -0.255 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.954 -14.721 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.654 -15.945 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.731 -16.350 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.932 -15.245 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.918 -13.715 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.172 -12.930 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.463 -12.479 -2.579 1.00 0.00 H new ATOM 368 N VAL C 476 -15.629 -12.166 2.401 1.00 0.00 N ATOM 369 CA VAL C 476 -16.082 -11.625 3.669 1.00 0.00 C ATOM 370 C VAL C 476 -15.829 -10.125 3.674 1.00 0.00 C ATOM 371 O VAL C 476 -16.700 -9.337 4.025 1.00 0.00 O ATOM 372 CB VAL C 476 -15.343 -12.282 4.862 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.895 -11.784 6.187 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.441 -13.792 4.782 1.00 0.00 C ATOM 0 H VAL C 476 -14.790 -12.742 2.464 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.146 -11.836 3.781 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.292 -11.998 4.805 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.358 -12.261 7.007 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.768 -10.703 6.251 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.955 -12.030 6.255 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.916 -14.236 5.628 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.489 -14.090 4.808 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.988 -14.137 3.853 1.00 0.00 H new ATOM 384 N LEU C 477 -14.629 -9.750 3.237 1.00 0.00 N ATOM 385 CA LEU C 477 -14.227 -8.350 3.116 1.00 0.00 C ATOM 386 C LEU C 477 -15.249 -7.562 2.297 1.00 0.00 C ATOM 387 O LEU C 477 -15.595 -6.431 2.640 1.00 0.00 O ATOM 388 CB LEU C 477 -12.851 -8.273 2.441 1.00 0.00 C ATOM 389 CG LEU C 477 -11.672 -8.830 3.243 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.389 -8.745 2.432 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.516 -8.080 4.554 1.00 0.00 C ATOM 0 H LEU C 477 -13.905 -10.411 2.956 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.174 -7.912 4.113 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.904 -8.809 1.493 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.643 -7.229 2.206 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.874 -9.878 3.465 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.561 -9.145 3.017 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.499 -9.325 1.515 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.186 -7.704 2.181 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.673 -8.490 5.110 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.337 -7.024 4.350 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.426 -8.186 5.144 1.00 0.00 H new ATOM 403 N GLN C 478 -15.725 -8.175 1.219 1.00 0.00 N ATOM 404 CA GLN C 478 -16.715 -7.562 0.360 1.00 0.00 C ATOM 405 C GLN C 478 -18.013 -7.277 1.120 1.00 0.00 C ATOM 406 O GLN C 478 -18.525 -6.159 1.082 1.00 0.00 O ATOM 407 CB GLN C 478 -16.994 -8.456 -0.849 1.00 0.00 C ATOM 408 CG GLN C 478 -18.122 -7.952 -1.732 1.00 0.00 C ATOM 409 CD GLN C 478 -18.371 -8.825 -2.952 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.826 -8.343 -3.987 1.00 0.00 O ATOM 411 NE2 GLN C 478 -18.081 -10.107 -2.838 1.00 0.00 N ATOM 0 H GLN C 478 -15.433 -9.106 0.922 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.314 -6.610 0.013 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.086 -8.539 -1.446 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.238 -9.459 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.037 -7.895 -1.142 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -17.891 -6.939 -2.061 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -17.705 -10.469 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -18.233 -10.736 -3.626 1.00 0.00 H new ATOM 420 N ASP C 479 -18.527 -8.284 1.832 1.00 0.00 N ATOM 421 CA ASP C 479 -19.795 -8.140 2.566 1.00 0.00 C ATOM 422 C ASP C 479 -19.676 -7.087 3.651 1.00 0.00 C ATOM 423 O ASP C 479 -20.643 -6.422 3.992 1.00 0.00 O ATOM 424 CB ASP C 479 -20.232 -9.464 3.182 1.00 0.00 C ATOM 425 CG ASP C 479 -21.685 -9.435 3.653 1.00 0.00 C ATOM 426 OD1 ASP C 479 -21.950 -8.987 4.799 1.00 0.00 O ATOM 427 OD2 ASP C 479 -22.565 -9.861 2.874 1.00 0.00 O ATOM 0 H ASP C 479 -18.091 -9.202 1.918 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.551 -7.825 1.847 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.106 -10.262 2.450 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.584 -9.701 4.026 1.00 0.00 H new ATOM 432 N LEU C 480 -18.476 -6.915 4.165 1.00 0.00 N ATOM 433 CA LEU C 480 -18.233 -5.940 5.205 1.00 0.00 C ATOM 434 C LEU C 480 -18.330 -4.522 4.668 1.00 0.00 C ATOM 435 O LEU C 480 -18.452 -3.575 5.430 1.00 0.00 O ATOM 436 CB LEU C 480 -16.890 -6.177 5.902 1.00 0.00 C ATOM 437 CG LEU C 480 -16.950 -6.983 7.203 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.073 -6.491 8.101 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.131 -8.435 6.912 1.00 0.00 C ATOM 0 H LEU C 480 -17.651 -7.441 3.877 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.015 -6.066 5.954 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.227 -6.692 5.207 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.437 -5.209 6.116 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.004 -6.841 7.726 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.092 -7.081 9.017 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -17.908 -5.442 8.348 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.026 -6.596 7.582 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.171 -8.991 7.848 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.060 -8.583 6.362 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.294 -8.793 6.313 1.00 0.00 H new ATOM 451 N GLN C 481 -18.269 -4.378 3.362 1.00 0.00 N ATOM 452 CA GLN C 481 -18.476 -3.089 2.748 1.00 0.00 C ATOM 453 C GLN C 481 -19.950 -2.922 2.448 1.00 0.00 C ATOM 454 O GLN C 481 -20.470 -1.809 2.385 1.00 0.00 O ATOM 455 CB GLN C 481 -17.668 -2.953 1.464 1.00 0.00 C ATOM 456 CG GLN C 481 -16.189 -3.183 1.645 1.00 0.00 C ATOM 457 CD GLN C 481 -15.376 -2.718 0.460 1.00 0.00 C ATOM 458 OE1 GLN C 481 -15.856 -2.701 -0.673 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.137 -2.342 0.711 1.00 0.00 N ATOM 0 H GLN C 481 -18.078 -5.137 2.708 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.141 -2.313 3.436 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -18.049 -3.663 0.730 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.823 -1.955 1.053 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.851 -2.660 2.540 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -16.008 -4.245 1.810 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -13.778 -2.372 1.665 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.537 -2.022 -0.049 1.00 0.00 H new ATOM 468 N LEU C 482 -20.618 -4.050 2.276 1.00 0.00 N ATOM 469 CA LEU C 482 -22.024 -4.077 1.960 1.00 0.00 C ATOM 470 C LEU C 482 -22.854 -3.845 3.209 1.00 0.00 C ATOM 471 O LEU C 482 -23.676 -2.932 3.258 1.00 0.00 O ATOM 472 CB LEU C 482 -22.400 -5.429 1.352 1.00 0.00 C ATOM 473 CG LEU C 482 -21.450 -5.981 0.289 1.00 0.00 C ATOM 474 CD1 LEU C 482 -21.980 -7.284 -0.273 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.222 -4.974 -0.819 1.00 0.00 C ATOM 0 H LEU C 482 -20.192 -4.974 2.353 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.228 -3.283 1.241 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.472 -6.159 2.159 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.393 -5.342 0.911 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.489 -6.175 0.766 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.291 -7.662 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.075 -8.015 0.530 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.957 -7.114 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.542 -5.396 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.173 -4.734 -1.294 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.786 -4.066 -0.402 1.00 0.00 H new ATOM 487 N THR C 483 -22.621 -4.657 4.227 1.00 0.00 N ATOM 488 CA THR C 483 -23.392 -4.576 5.443 1.00 0.00 C ATOM 489 C THR C 483 -22.670 -3.777 6.507 1.00 0.00 C ATOM 490 O THR C 483 -23.303 -3.116 7.327 1.00 0.00 O ATOM 491 CB THR C 483 -23.704 -5.974 5.983 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.482 -6.686 6.208 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.564 -6.740 4.998 1.00 0.00 C ATOM 0 H THR C 483 -21.901 -5.379 4.229 1.00 0.00 H new ATOM 0 HA THR C 483 -24.324 -4.066 5.198 1.00 0.00 H new ATOM 0 HB THR C 483 -24.248 -5.875 6.922 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.453 -7.477 5.630 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.777 -7.732 5.396 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.500 -6.204 4.838 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.034 -6.836 4.050 1.00 0.00 H new ATOM 501 N ARG C 484 -21.329 -3.840 6.490 1.00 0.00 N ATOM 502 CA ARG C 484 -20.500 -3.136 7.462 1.00 0.00 C ATOM 503 C ARG C 484 -20.761 -3.642 8.876 1.00 0.00 C ATOM 504 O ARG C 484 -20.456 -2.966 9.861 1.00 0.00 O ATOM 505 CB ARG C 484 -20.746 -1.639 7.373 1.00 0.00 C ATOM 506 CG ARG C 484 -20.279 -1.025 6.068 1.00 0.00 C ATOM 507 CD ARG C 484 -21.283 -0.023 5.550 1.00 0.00 C ATOM 508 NE ARG C 484 -22.486 -0.673 5.013 1.00 0.00 N ATOM 509 CZ ARG C 484 -23.743 -0.287 5.267 1.00 0.00 C ATOM 510 NH1 ARG C 484 -23.981 0.740 6.075 1.00 0.00 N ATOM 511 NH2 ARG C 484 -24.758 -0.935 4.712 1.00 0.00 N ATOM 0 H ARG C 484 -20.799 -4.378 5.805 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.454 -3.334 7.227 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.812 -1.446 7.495 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -20.236 -1.145 8.200 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.316 -0.536 6.216 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -20.128 -1.810 5.327 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -21.567 0.655 6.355 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -20.821 0.583 4.771 1.00 0.00 H new ATOM 0 HE ARG C 484 -22.354 -1.478 4.401 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -23.204 1.240 6.507 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -24.941 1.028 6.264 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -24.581 -1.726 4.093 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -25.716 -0.643 4.904 1.00 0.00 H new ATOM 525 N SER C 485 -21.307 -4.839 8.965 1.00 0.00 N ATOM 526 CA SER C 485 -21.625 -5.438 10.235 1.00 0.00 C ATOM 527 C SER C 485 -21.240 -6.895 10.235 1.00 0.00 C ATOM 528 O SER C 485 -21.838 -7.689 9.513 1.00 0.00 O ATOM 529 CB SER C 485 -23.122 -5.313 10.514 1.00 0.00 C ATOM 530 OG SER C 485 -23.462 -5.904 11.760 1.00 0.00 O ATOM 0 H SER C 485 -21.540 -5.418 8.158 1.00 0.00 H new ATOM 0 HA SER C 485 -21.066 -4.917 11.012 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.408 -4.261 10.517 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.685 -5.794 9.714 1.00 0.00 H new ATOM 0 HG SER C 485 -24.321 -5.547 12.068 1.00 0.00 H new ATOM 536 N VAL C 486 -20.244 -7.258 11.040 1.00 0.00 N ATOM 537 CA VAL C 486 -19.839 -8.649 11.138 1.00 0.00 C ATOM 538 C VAL C 486 -21.006 -9.515 11.600 1.00 0.00 C ATOM 539 O VAL C 486 -21.107 -10.690 11.235 1.00 0.00 O ATOM 540 CB VAL C 486 -18.625 -8.852 12.081 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.491 -7.939 11.692 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.992 -8.658 13.540 1.00 0.00 C ATOM 0 H VAL C 486 -19.711 -6.614 11.625 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.530 -8.956 10.139 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.299 -9.886 11.967 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.649 -8.097 12.366 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.183 -8.157 10.669 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.820 -6.902 11.759 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.109 -8.811 14.161 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.370 -7.646 13.689 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.761 -9.377 13.820 1.00 0.00 H new ATOM 552 N GLU C 487 -21.895 -8.914 12.390 1.00 0.00 N ATOM 553 CA GLU C 487 -23.080 -9.588 12.875 1.00 0.00 C ATOM 554 C GLU C 487 -23.944 -10.019 11.709 1.00 0.00 C ATOM 555 O GLU C 487 -24.437 -11.153 11.667 1.00 0.00 O ATOM 556 CB GLU C 487 -23.867 -8.654 13.782 1.00 0.00 C ATOM 557 CG GLU C 487 -25.166 -9.239 14.291 1.00 0.00 C ATOM 558 CD GLU C 487 -26.004 -8.220 15.014 1.00 0.00 C ATOM 559 OE1 GLU C 487 -26.775 -7.501 14.346 1.00 0.00 O ATOM 560 OE2 GLU C 487 -25.900 -8.132 16.254 1.00 0.00 O ATOM 0 H GLU C 487 -21.807 -7.948 12.706 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.781 -10.471 13.440 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -23.244 -8.382 14.634 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.083 -7.734 13.239 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -25.733 -9.644 13.453 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -24.950 -10.071 14.962 1.00 0.00 H new ATOM 567 N ILE C 488 -24.123 -9.119 10.761 1.00 0.00 N ATOM 568 CA ILE C 488 -24.898 -9.417 9.585 1.00 0.00 C ATOM 569 C ILE C 488 -24.123 -10.358 8.689 1.00 0.00 C ATOM 570 O ILE C 488 -24.604 -11.398 8.364 1.00 0.00 O ATOM 571 CB ILE C 488 -25.276 -8.149 8.797 1.00 0.00 C ATOM 572 CG1 ILE C 488 -25.973 -7.136 9.714 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.183 -8.514 7.627 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.344 -5.836 9.025 1.00 0.00 C ATOM 0 H ILE C 488 -23.739 -8.175 10.788 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.824 -9.887 9.915 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.365 -7.693 8.409 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.876 -7.591 10.121 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.319 -6.915 10.558 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.446 -7.612 7.075 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.662 -9.206 6.965 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.090 -8.986 8.004 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -26.832 -5.172 9.739 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.443 -5.357 8.642 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.024 -6.043 8.199 1.00 0.00 H new ATOM 586 N THR C 489 -22.907 -9.966 8.325 1.00 0.00 N ATOM 587 CA THR C 489 -22.008 -10.759 7.483 1.00 0.00 C ATOM 588 C THR C 489 -21.947 -12.246 7.903 1.00 0.00 C ATOM 589 O THR C 489 -22.027 -13.133 7.057 1.00 0.00 O ATOM 590 CB THR C 489 -20.593 -10.159 7.523 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.658 -8.779 7.164 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.657 -10.877 6.568 1.00 0.00 C ATOM 0 H THR C 489 -22.508 -9.072 8.610 1.00 0.00 H new ATOM 0 HA THR C 489 -22.410 -10.724 6.470 1.00 0.00 H new ATOM 0 HB THR C 489 -20.203 -10.274 8.534 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.010 -8.694 6.253 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.666 -10.427 6.623 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.593 -11.930 6.844 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.039 -10.791 5.551 1.00 0.00 H new ATOM 600 N THR C 490 -21.827 -12.510 9.199 1.00 0.00 N ATOM 601 CA THR C 490 -21.754 -13.883 9.684 1.00 0.00 C ATOM 602 C THR C 490 -23.075 -14.609 9.438 1.00 0.00 C ATOM 603 O THR C 490 -23.099 -15.741 8.945 1.00 0.00 O ATOM 604 CB THR C 490 -21.405 -13.931 11.184 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.217 -13.166 11.433 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.178 -15.362 11.627 1.00 0.00 C ATOM 0 H THR C 490 -21.779 -11.798 9.928 1.00 0.00 H new ATOM 0 HA THR C 490 -20.960 -14.385 9.131 1.00 0.00 H new ATOM 0 HB THR C 490 -22.238 -13.510 11.747 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.460 -12.235 11.621 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.932 -15.380 12.689 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.083 -15.944 11.454 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.355 -15.793 11.057 1.00 0.00 H new ATOM 614 N ASP C 491 -24.167 -13.937 9.758 1.00 0.00 N ATOM 615 CA ASP C 491 -25.503 -14.487 9.547 1.00 0.00 C ATOM 616 C ASP C 491 -25.778 -14.560 8.056 1.00 0.00 C ATOM 617 O ASP C 491 -26.454 -15.460 7.568 1.00 0.00 O ATOM 618 CB ASP C 491 -26.534 -13.596 10.232 1.00 0.00 C ATOM 619 CG ASP C 491 -27.928 -14.167 10.197 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.216 -15.080 11.001 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.753 -13.678 9.400 1.00 0.00 O ATOM 0 H ASP C 491 -24.158 -13.003 10.168 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.566 -15.488 9.973 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.238 -13.440 11.269 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.537 -12.618 9.751 1.00 0.00 H new ATOM 626 N ASN C 492 -25.212 -13.604 7.348 1.00 0.00 N ATOM 627 CA ASN C 492 -25.293 -13.512 5.913 1.00 0.00 C ATOM 628 C ASN C 492 -24.750 -14.776 5.282 1.00 0.00 C ATOM 629 O ASN C 492 -25.371 -15.356 4.395 1.00 0.00 O ATOM 630 CB ASN C 492 -24.505 -12.284 5.415 1.00 0.00 C ATOM 631 CG ASN C 492 -25.402 -11.137 5.034 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.587 -11.323 4.755 1.00 0.00 O ATOM 633 ND2 ASN C 492 -24.839 -9.955 4.965 1.00 0.00 N ATOM 0 H ASN C 492 -24.669 -12.851 7.771 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.338 -13.396 5.624 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -23.816 -11.958 6.194 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -23.901 -12.569 4.554 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.386 -9.146 4.671 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -23.854 -9.845 5.205 1.00 0.00 H new ATOM 640 N ILE C 493 -23.587 -15.203 5.760 1.00 0.00 N ATOM 641 CA ILE C 493 -22.961 -16.439 5.308 1.00 0.00 C ATOM 642 C ILE C 493 -23.924 -17.605 5.484 1.00 0.00 C ATOM 643 O ILE C 493 -24.131 -18.414 4.579 1.00 0.00 O ATOM 644 CB ILE C 493 -21.696 -16.750 6.143 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.663 -15.647 6.003 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.100 -18.087 5.741 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.527 -15.761 6.994 1.00 0.00 C ATOM 0 H ILE C 493 -23.053 -14.703 6.470 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.695 -16.310 4.259 1.00 0.00 H new ATOM 0 HB ILE C 493 -21.995 -16.805 7.190 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.257 -15.666 4.992 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.153 -14.682 6.132 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.212 -18.285 6.341 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.833 -18.877 5.907 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.827 -18.061 4.686 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -18.825 -14.942 6.839 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -19.923 -15.712 8.008 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.013 -16.711 6.850 1.00 0.00 H new ATOM 659 N LEU C 494 -24.514 -17.658 6.658 1.00 0.00 N ATOM 660 CA LEU C 494 -25.427 -18.714 7.043 1.00 0.00 C ATOM 661 C LEU C 494 -26.696 -18.725 6.185 1.00 0.00 C ATOM 662 O LEU C 494 -27.287 -19.784 5.953 1.00 0.00 O ATOM 663 CB LEU C 494 -25.747 -18.569 8.528 1.00 0.00 C ATOM 664 CG LEU C 494 -24.551 -18.815 9.457 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.800 -18.247 10.838 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.243 -20.300 9.541 1.00 0.00 C ATOM 0 H LEU C 494 -24.371 -16.957 7.385 1.00 0.00 H new ATOM 0 HA LEU C 494 -24.947 -19.677 6.870 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.132 -17.566 8.709 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.543 -19.267 8.786 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.688 -18.300 9.035 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.934 -18.438 11.472 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.966 -17.172 10.765 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.680 -18.721 11.273 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.392 -20.458 10.204 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -25.111 -20.830 9.932 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -24.004 -20.679 8.547 1.00 0.00 H new ATOM 678 N GLU C 495 -27.108 -17.559 5.709 1.00 0.00 N ATOM 679 CA GLU C 495 -28.271 -17.475 4.836 1.00 0.00 C ATOM 680 C GLU C 495 -27.889 -17.772 3.390 1.00 0.00 C ATOM 681 O GLU C 495 -28.746 -18.053 2.554 1.00 0.00 O ATOM 682 CB GLU C 495 -28.928 -16.102 4.914 1.00 0.00 C ATOM 683 CG GLU C 495 -29.476 -15.748 6.279 1.00 0.00 C ATOM 684 CD GLU C 495 -30.481 -14.627 6.205 1.00 0.00 C ATOM 685 OE1 GLU C 495 -30.084 -13.479 5.908 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.689 -14.894 6.414 1.00 0.00 O ATOM 0 H GLU C 495 -26.659 -16.665 5.910 1.00 0.00 H new ATOM 0 HA GLU C 495 -28.985 -18.224 5.180 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.199 -15.347 4.622 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.740 -16.059 4.188 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -29.944 -16.627 6.722 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.656 -15.458 6.936 1.00 0.00 H new ATOM 693 N GLY C 496 -26.602 -17.717 3.105 1.00 0.00 N ATOM 694 CA GLY C 496 -26.132 -17.969 1.760 1.00 0.00 C ATOM 695 C GLY C 496 -25.862 -16.692 0.988 1.00 0.00 C ATOM 696 O GLY C 496 -25.724 -16.717 -0.232 1.00 0.00 O ATOM 0 H GLY C 496 -25.870 -17.502 3.782 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.219 -18.563 1.803 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -26.873 -18.563 1.225 1.00 0.00 H new ATOM 700 N ARG C 497 -25.796 -15.574 1.700 1.00 0.00 N ATOM 701 CA ARG C 497 -25.488 -14.284 1.086 1.00 0.00 C ATOM 702 C ARG C 497 -24.130 -14.356 0.425 1.00 0.00 C ATOM 703 O ARG C 497 -23.942 -13.915 -0.711 1.00 0.00 O ATOM 704 CB ARG C 497 -25.471 -13.190 2.147 1.00 0.00 C ATOM 705 CG ARG C 497 -25.051 -11.820 1.632 1.00 0.00 C ATOM 706 CD ARG C 497 -26.142 -11.165 0.803 1.00 0.00 C ATOM 707 NE ARG C 497 -25.664 -9.946 0.141 1.00 0.00 N ATOM 708 CZ ARG C 497 -25.854 -8.700 0.597 1.00 0.00 C ATOM 709 NH1 ARG C 497 -26.511 -8.491 1.731 1.00 0.00 N ATOM 710 NH2 ARG C 497 -25.386 -7.664 -0.094 1.00 0.00 N ATOM 0 H ARG C 497 -25.952 -15.533 2.707 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.252 -14.052 0.344 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.466 -13.110 2.585 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.793 -13.487 2.947 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -24.801 -11.177 2.476 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.148 -11.920 1.029 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -26.501 -11.869 0.053 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -26.990 -10.922 1.444 1.00 0.00 H new ATOM 0 HE ARG C 497 -25.148 -10.055 -0.732 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -26.876 -9.282 2.262 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -26.651 -7.540 2.071 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -24.884 -7.819 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -25.529 -6.715 0.251 1.00 0.00 H new ATOM 724 N ILE C 498 -23.193 -14.924 1.146 1.00 0.00 N ATOM 725 CA ILE C 498 -21.856 -15.095 0.657 1.00 0.00 C ATOM 726 C ILE C 498 -21.710 -16.498 0.102 1.00 0.00 C ATOM 727 O ILE C 498 -21.532 -17.462 0.847 1.00 0.00 O ATOM 728 CB ILE C 498 -20.815 -14.840 1.773 1.00 0.00 C ATOM 729 CG1 ILE C 498 -21.003 -13.425 2.337 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.402 -15.018 1.237 1.00 0.00 C ATOM 731 CD1 ILE C 498 -20.157 -13.122 3.552 1.00 0.00 C ATOM 0 H ILE C 498 -23.342 -15.280 2.090 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.671 -14.367 -0.133 1.00 0.00 H new ATOM 0 HB ILE C 498 -20.966 -15.565 2.573 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -20.769 -12.701 1.556 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -22.053 -13.286 2.596 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.684 -14.835 2.036 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.279 -16.035 0.865 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.229 -14.312 0.425 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -20.351 -12.103 3.886 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -20.406 -13.819 4.352 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -19.103 -13.225 3.296 1.00 0.00 H new