USER MOD reduce.3.24.130724 H: found=0, std=0, add=353, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 354 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 483 THR OG1 : rot -119:sc= 1.11 USER MOD Set 1.2: C 489 THR OG1 : rot -66:sc= 1.24 USER MOD Set 2.1: C 458 ASN :FLIP amide:sc= 0.262 F(o=-0.81,f=0.44) USER MOD Set 2.2: C 473 TYR OH : rot 93:sc= 0.18 USER MOD Single : C 456 GLN : amide:sc= -0.996 K(o=-1,f=-2.2) USER MOD Single : C 460 MET CE :methyl 167:sc= -2.7! (180deg=-3.55!) USER MOD Single : C 462 HIS :FLIP no HE2:sc= 0.364 F(o=-1.2,f=0.36) USER MOD Single : C 463 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.14) USER MOD Single : C 465 GLN : amide:sc=-0.00588 K(o=-0.0059,f=-0.55) USER MOD Single : C 467 MET CE :methyl -170:sc= -0.442 (180deg=-0.679) USER MOD Single : C 470 GLN : amide:sc= 0.105 K(o=0.1,f=-0.9) USER MOD Single : C 474 HIS : no HD1:sc=-0.000402 X(o=-0.0004,f=0) USER MOD Single : C 478 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : C 481 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 485 SER OG : rot 150:sc= -0.502 USER MOD Single : C 490 THR OG1 : rot 81:sc= 1.23 USER MOD Single : C 492 ASN : amide:sc= -2.13 K(o=-2.1,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.277 -1.452 9.203 1.00 0.00 N ATOM 40 CA GLN C 456 -11.379 -1.993 9.975 1.00 0.00 C ATOM 41 C GLN C 456 -11.958 -3.206 9.271 1.00 0.00 C ATOM 42 O GLN C 456 -12.162 -4.247 9.882 1.00 0.00 O ATOM 43 CB GLN C 456 -12.473 -0.933 10.177 1.00 0.00 C ATOM 44 CG GLN C 456 -12.139 0.141 11.213 1.00 0.00 C ATOM 45 CD GLN C 456 -10.920 0.974 10.854 1.00 0.00 C ATOM 46 OE1 GLN C 456 -10.620 1.196 9.678 1.00 0.00 O ATOM 47 NE2 GLN C 456 -10.211 1.433 11.860 1.00 0.00 N ATOM 0 HA GLN C 456 -11.002 -2.291 10.953 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.670 -0.448 9.221 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -13.394 -1.433 10.476 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -12.998 0.801 11.330 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -11.971 -0.337 12.178 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -10.493 1.227 12.818 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -9.379 1.995 11.683 1.00 0.00 H new ATOM 56 N LEU C 457 -12.202 -3.062 7.972 1.00 0.00 N ATOM 57 CA LEU C 457 -12.735 -4.142 7.145 1.00 0.00 C ATOM 58 C LEU C 457 -11.850 -5.373 7.234 1.00 0.00 C ATOM 59 O LEU C 457 -12.338 -6.491 7.411 1.00 0.00 O ATOM 60 CB LEU C 457 -12.858 -3.686 5.684 1.00 0.00 C ATOM 61 CG LEU C 457 -14.080 -2.824 5.336 1.00 0.00 C ATOM 62 CD1 LEU C 457 -15.350 -3.618 5.499 1.00 0.00 C ATOM 63 CD2 LEU C 457 -14.140 -1.571 6.189 1.00 0.00 C ATOM 0 H LEU C 457 -12.036 -2.194 7.462 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.726 -4.400 7.518 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -11.960 -3.125 5.425 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -12.874 -4.573 5.050 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.979 -2.519 4.294 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -16.206 -2.991 5.248 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -15.326 -4.482 4.835 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -15.438 -3.956 6.532 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.018 -0.986 5.915 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -14.204 -1.850 7.241 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -13.242 -0.976 6.025 1.00 0.00 H new ATOM 75 N ASN C 458 -10.547 -5.149 7.116 1.00 0.00 N ATOM 76 CA ASN C 458 -9.551 -6.211 7.220 1.00 0.00 C ATOM 77 C ASN C 458 -9.723 -6.962 8.530 1.00 0.00 C ATOM 78 O ASN C 458 -9.812 -8.194 8.554 1.00 0.00 O ATOM 79 CB ASN C 458 -8.140 -5.601 7.156 1.00 0.00 C ATOM 80 CG ASN C 458 -7.026 -6.636 7.231 1.00 0.00 C ATOM 81 OD1 ASN C 458 -6.498 -7.021 6.088 1.00 0.00 O flip ATOM 82 ND2 ASN C 458 -6.632 -7.064 8.315 1.00 0.00 N flip ATOM 0 H ASN C 458 -10.150 -4.225 6.945 1.00 0.00 H new ATOM 0 HA ASN C 458 -9.685 -6.907 6.392 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.039 -5.037 6.229 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -8.022 -4.892 7.975 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -7.067 -6.741 9.179 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -5.870 -7.742 8.349 1.00 0.00 H new ATOM 89 N ALA C 459 -9.796 -6.209 9.613 1.00 0.00 N ATOM 90 CA ALA C 459 -9.941 -6.770 10.940 1.00 0.00 C ATOM 91 C ALA C 459 -11.271 -7.501 11.102 1.00 0.00 C ATOM 92 O ALA C 459 -11.309 -8.630 11.600 1.00 0.00 O ATOM 93 CB ALA C 459 -9.801 -5.681 11.988 1.00 0.00 C ATOM 0 H ALA C 459 -9.756 -5.190 9.595 1.00 0.00 H new ATOM 0 HA ALA C 459 -9.146 -7.503 11.080 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.912 -6.116 12.981 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.818 -5.218 11.902 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.572 -4.926 11.834 1.00 0.00 H new ATOM 99 N MET C 460 -12.359 -6.866 10.661 1.00 0.00 N ATOM 100 CA MET C 460 -13.690 -7.444 10.795 1.00 0.00 C ATOM 101 C MET C 460 -13.800 -8.766 10.045 1.00 0.00 C ATOM 102 O MET C 460 -14.298 -9.756 10.589 1.00 0.00 O ATOM 103 CB MET C 460 -14.768 -6.469 10.308 1.00 0.00 C ATOM 104 CG MET C 460 -14.780 -5.133 11.046 1.00 0.00 C ATOM 105 SD MET C 460 -16.366 -4.279 10.930 1.00 0.00 S ATOM 106 CE MET C 460 -16.501 -4.064 9.163 1.00 0.00 C ATOM 0 H MET C 460 -12.340 -5.952 10.209 1.00 0.00 H new ATOM 0 HA MET C 460 -13.852 -7.638 11.855 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.620 -6.283 9.244 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.745 -6.940 10.416 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.540 -5.302 12.096 1.00 0.00 H new ATOM 0 HG3 MET C 460 -13.998 -4.492 10.639 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.518 -3.764 8.910 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.803 -3.293 8.836 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.264 -5.003 8.663 1.00 0.00 H new ATOM 116 N ALA C 461 -13.324 -8.786 8.804 1.00 0.00 N ATOM 117 CA ALA C 461 -13.361 -9.993 7.994 1.00 0.00 C ATOM 118 C ALA C 461 -12.552 -11.108 8.647 1.00 0.00 C ATOM 119 O ALA C 461 -12.932 -12.278 8.599 1.00 0.00 O ATOM 120 CB ALA C 461 -12.847 -9.708 6.595 1.00 0.00 C ATOM 0 H ALA C 461 -12.909 -7.978 8.340 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.397 -10.325 7.921 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -12.881 -10.622 6.002 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.471 -8.947 6.126 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.819 -9.350 6.651 1.00 0.00 H new ATOM 126 N HIS C 462 -11.440 -10.733 9.276 1.00 0.00 N ATOM 127 CA HIS C 462 -10.597 -11.700 9.962 1.00 0.00 C ATOM 128 C HIS C 462 -11.325 -12.336 11.130 1.00 0.00 C ATOM 129 O HIS C 462 -11.307 -13.545 11.276 1.00 0.00 O ATOM 130 CB HIS C 462 -9.286 -11.064 10.443 1.00 0.00 C ATOM 131 CG HIS C 462 -8.162 -11.164 9.452 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.745 -10.310 8.490 1.00 0.00 N flip ATOM 133 CD2 HIS C 462 -7.323 -12.251 9.378 1.00 0.00 C flip ATOM 134 CE1 HIS C 462 -6.674 -10.893 7.862 1.00 0.00 C flip ATOM 135 NE2 HIS C 462 -6.442 -12.063 8.421 1.00 0.00 N flip ATOM 0 H HIS C 462 -11.106 -9.770 9.323 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.355 -12.479 9.239 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.465 -10.013 10.670 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -8.981 -11.543 11.373 1.00 0.00 H new ATOM 0 HD1 HIS C 462 -8.152 -9.400 8.272 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -7.379 -13.125 10.010 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -6.114 -10.464 7.045 1.00 0.00 H new ATOM 144 N GLN C 463 -11.998 -11.516 11.934 1.00 0.00 N ATOM 145 CA GLN C 463 -12.699 -12.000 13.133 1.00 0.00 C ATOM 146 C GLN C 463 -13.753 -13.045 12.792 1.00 0.00 C ATOM 147 O GLN C 463 -13.951 -14.006 13.540 1.00 0.00 O ATOM 148 CB GLN C 463 -13.337 -10.837 13.898 1.00 0.00 C ATOM 149 CG GLN C 463 -12.349 -9.762 14.333 1.00 0.00 C ATOM 150 CD GLN C 463 -11.158 -10.331 15.075 1.00 0.00 C ATOM 151 OE1 GLN C 463 -11.183 -10.474 16.299 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.104 -10.645 14.340 1.00 0.00 N ATOM 0 H GLN C 463 -12.076 -10.511 11.781 1.00 0.00 H new ATOM 0 HA GLN C 463 -11.953 -12.475 13.770 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -14.102 -10.380 13.271 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -13.842 -11.230 14.781 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -12.000 -9.218 13.455 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.860 -9.041 14.972 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.128 -10.510 13.329 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.267 -11.023 14.784 1.00 0.00 H new ATOM 161 N ILE C 464 -14.434 -12.858 11.675 1.00 0.00 N ATOM 162 CA ILE C 464 -15.421 -13.827 11.237 1.00 0.00 C ATOM 163 C ILE C 464 -14.735 -15.079 10.731 1.00 0.00 C ATOM 164 O ILE C 464 -15.124 -16.181 11.082 1.00 0.00 O ATOM 165 CB ILE C 464 -16.329 -13.275 10.127 1.00 0.00 C ATOM 166 CG1 ILE C 464 -17.060 -12.027 10.599 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.334 -14.340 9.684 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.895 -11.391 9.520 1.00 0.00 C ATOM 0 H ILE C 464 -14.323 -12.052 11.060 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.043 -14.057 12.102 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.703 -13.006 9.276 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.701 -12.285 11.442 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.332 -11.302 10.962 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.971 -13.935 8.897 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.798 -15.210 9.305 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.950 -14.635 10.534 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.391 -10.506 9.918 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -17.255 -11.104 8.686 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.645 -12.102 9.173 1.00 0.00 H new ATOM 180 N GLN C 465 -13.693 -14.897 9.920 1.00 0.00 N ATOM 181 CA GLN C 465 -12.943 -16.018 9.346 1.00 0.00 C ATOM 182 C GLN C 465 -12.378 -16.918 10.444 1.00 0.00 C ATOM 183 O GLN C 465 -12.240 -18.130 10.264 1.00 0.00 O ATOM 184 CB GLN C 465 -11.810 -15.504 8.465 1.00 0.00 C ATOM 185 CG GLN C 465 -11.069 -16.604 7.724 1.00 0.00 C ATOM 186 CD GLN C 465 -9.950 -16.079 6.861 1.00 0.00 C ATOM 187 OE1 GLN C 465 -9.340 -15.049 7.163 1.00 0.00 O ATOM 188 NE2 GLN C 465 -9.666 -16.776 5.785 1.00 0.00 N ATOM 0 H GLN C 465 -13.346 -13.979 9.643 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.631 -16.605 8.737 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -12.216 -14.799 7.740 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -11.101 -14.953 9.083 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -10.662 -17.312 8.446 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -11.774 -17.154 7.101 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -10.194 -17.622 5.571 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -8.917 -16.472 5.163 1.00 0.00 H new ATOM 197 N GLU C 466 -12.051 -16.312 11.578 1.00 0.00 N ATOM 198 CA GLU C 466 -11.546 -17.039 12.734 1.00 0.00 C ATOM 199 C GLU C 466 -12.567 -18.081 13.198 1.00 0.00 C ATOM 200 O GLU C 466 -12.209 -19.140 13.713 1.00 0.00 O ATOM 201 CB GLU C 466 -11.244 -16.056 13.869 1.00 0.00 C ATOM 202 CG GLU C 466 -10.182 -15.025 13.528 1.00 0.00 C ATOM 203 CD GLU C 466 -8.852 -15.642 13.164 1.00 0.00 C ATOM 204 OE1 GLU C 466 -8.087 -15.997 14.082 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.550 -15.750 11.958 1.00 0.00 O ATOM 0 H GLU C 466 -12.128 -15.305 11.722 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.629 -17.556 12.453 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -12.164 -15.538 14.142 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.922 -16.618 14.746 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -10.532 -14.413 12.696 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -10.045 -14.358 14.379 1.00 0.00 H new ATOM 212 N MET C 467 -13.839 -17.770 13.001 1.00 0.00 N ATOM 213 CA MET C 467 -14.921 -18.662 13.377 1.00 0.00 C ATOM 214 C MET C 467 -15.427 -19.445 12.162 1.00 0.00 C ATOM 215 O MET C 467 -15.804 -20.614 12.272 1.00 0.00 O ATOM 216 CB MET C 467 -16.078 -17.860 13.972 1.00 0.00 C ATOM 217 CG MET C 467 -15.706 -16.999 15.160 1.00 0.00 C ATOM 218 SD MET C 467 -17.135 -16.155 15.877 1.00 0.00 S ATOM 219 CE MET C 467 -17.719 -15.200 14.473 1.00 0.00 C ATOM 0 H MET C 467 -14.148 -16.895 12.577 1.00 0.00 H new ATOM 0 HA MET C 467 -14.539 -19.364 14.118 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.497 -17.221 13.195 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.864 -18.552 14.274 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.235 -17.620 15.922 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.968 -16.259 14.851 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.482 -14.496 14.804 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.886 -14.652 14.034 1.00 0.00 H new ATOM 0 HE3 MET C 467 -18.144 -15.872 13.727 1.00 0.00 H new ATOM 229 N PHE C 468 -15.445 -18.784 11.010 1.00 0.00 N ATOM 230 CA PHE C 468 -15.948 -19.369 9.773 1.00 0.00 C ATOM 231 C PHE C 468 -14.868 -19.396 8.684 1.00 0.00 C ATOM 232 O PHE C 468 -14.783 -18.482 7.869 1.00 0.00 O ATOM 233 CB PHE C 468 -17.177 -18.583 9.262 1.00 0.00 C ATOM 234 CG PHE C 468 -18.426 -18.762 10.091 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.473 -18.340 11.405 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.551 -19.354 9.546 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.612 -18.510 12.166 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.694 -19.526 10.298 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.725 -19.106 11.611 1.00 0.00 C ATOM 0 H PHE C 468 -15.111 -17.826 10.908 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.240 -20.396 9.994 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.926 -17.523 9.230 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.389 -18.891 8.238 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.605 -17.870 11.844 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.534 -19.686 8.518 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.632 -18.177 13.193 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.565 -19.990 9.859 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.618 -19.243 12.203 1.00 0.00 H new ATOM 249 N PRO C 469 -14.018 -20.434 8.672 1.00 0.00 N ATOM 250 CA PRO C 469 -12.968 -20.585 7.657 1.00 0.00 C ATOM 251 C PRO C 469 -13.531 -21.035 6.306 1.00 0.00 C ATOM 252 O PRO C 469 -12.858 -20.946 5.277 1.00 0.00 O ATOM 253 CB PRO C 469 -12.075 -21.675 8.242 1.00 0.00 C ATOM 254 CG PRO C 469 -12.992 -22.488 9.078 1.00 0.00 C ATOM 255 CD PRO C 469 -13.974 -21.520 9.666 1.00 0.00 C ATOM 0 HA PRO C 469 -12.452 -19.646 7.457 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.614 -22.275 7.458 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -11.266 -21.250 8.836 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -13.499 -23.245 8.480 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -12.445 -23.014 9.860 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.954 -21.977 9.806 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -13.648 -21.159 10.641 1.00 0.00 H new ATOM 263 N GLN C 470 -14.775 -21.515 6.324 1.00 0.00 N ATOM 264 CA GLN C 470 -15.451 -22.002 5.119 1.00 0.00 C ATOM 265 C GLN C 470 -15.663 -20.894 4.091 1.00 0.00 C ATOM 266 O GLN C 470 -15.740 -21.154 2.892 1.00 0.00 O ATOM 267 CB GLN C 470 -16.801 -22.624 5.478 1.00 0.00 C ATOM 268 CG GLN C 470 -17.701 -21.705 6.287 1.00 0.00 C ATOM 269 CD GLN C 470 -19.093 -22.266 6.472 1.00 0.00 C ATOM 270 OE1 GLN C 470 -19.612 -22.970 5.608 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.696 -21.974 7.600 1.00 0.00 N ATOM 0 H GLN C 470 -15.341 -21.577 7.170 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.802 -22.757 4.675 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -17.316 -22.907 4.560 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -16.630 -23.540 6.043 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -17.251 -21.531 7.264 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.767 -20.737 5.789 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.229 -21.386 8.290 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.632 -22.335 7.787 1.00 0.00 H new ATOM 280 N VAL C 471 -15.760 -19.671 4.558 1.00 0.00 N ATOM 281 CA VAL C 471 -15.995 -18.555 3.674 1.00 0.00 C ATOM 282 C VAL C 471 -14.687 -17.817 3.368 1.00 0.00 C ATOM 283 O VAL C 471 -13.981 -17.381 4.280 1.00 0.00 O ATOM 284 CB VAL C 471 -17.060 -17.582 4.257 1.00 0.00 C ATOM 285 CG1 VAL C 471 -16.682 -17.119 5.654 1.00 0.00 C ATOM 286 CG2 VAL C 471 -17.285 -16.396 3.327 1.00 0.00 C ATOM 0 H VAL C 471 -15.680 -19.424 5.544 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.389 -18.951 2.738 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.999 -18.129 4.335 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -17.447 -16.441 6.032 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -16.604 -17.982 6.315 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -15.723 -16.601 5.619 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -18.034 -15.732 3.759 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -16.349 -15.852 3.198 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -17.633 -16.754 2.358 1.00 0.00 H new ATOM 296 N PRO C 472 -14.323 -17.724 2.073 1.00 0.00 N ATOM 297 CA PRO C 472 -13.106 -17.035 1.632 1.00 0.00 C ATOM 298 C PRO C 472 -13.025 -15.603 2.155 1.00 0.00 C ATOM 299 O PRO C 472 -13.997 -14.846 2.084 1.00 0.00 O ATOM 300 CB PRO C 472 -13.225 -17.041 0.110 1.00 0.00 C ATOM 301 CG PRO C 472 -14.065 -18.228 -0.184 1.00 0.00 C ATOM 302 CD PRO C 472 -15.058 -18.310 0.938 1.00 0.00 C ATOM 0 HA PRO C 472 -12.206 -17.524 2.004 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.688 -16.125 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.247 -17.117 -0.366 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -14.568 -18.123 -1.145 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -13.459 -19.133 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -15.967 -17.752 0.714 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -15.357 -19.339 1.138 1.00 0.00 H new ATOM 310 N TYR C 473 -11.850 -15.246 2.647 1.00 0.00 N ATOM 311 CA TYR C 473 -11.585 -13.940 3.257 1.00 0.00 C ATOM 312 C TYR C 473 -12.081 -12.752 2.404 1.00 0.00 C ATOM 313 O TYR C 473 -12.742 -11.847 2.917 1.00 0.00 O ATOM 314 CB TYR C 473 -10.083 -13.801 3.549 1.00 0.00 C ATOM 315 CG TYR C 473 -9.666 -12.412 3.964 1.00 0.00 C ATOM 316 CD1 TYR C 473 -9.968 -11.920 5.225 1.00 0.00 C ATOM 317 CD2 TYR C 473 -8.981 -11.589 3.083 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.601 -10.644 5.592 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.607 -10.317 3.447 1.00 0.00 C ATOM 320 CZ TYR C 473 -8.920 -9.848 4.699 1.00 0.00 C ATOM 321 OH TYR C 473 -8.565 -8.574 5.054 1.00 0.00 O ATOM 0 H TYR C 473 -11.036 -15.861 2.637 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.153 -13.903 4.187 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -9.810 -14.502 4.337 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.522 -14.087 2.659 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.498 -12.545 5.928 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -8.738 -11.953 2.096 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.846 -10.270 6.575 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.070 -9.690 2.751 1.00 0.00 H new ATOM 0 HH TYR C 473 -7.657 -8.578 5.423 1.00 0.00 H new ATOM 331 N HIS C 474 -11.770 -12.762 1.117 1.00 0.00 N ATOM 332 CA HIS C 474 -12.160 -11.663 0.222 1.00 0.00 C ATOM 333 C HIS C 474 -13.671 -11.567 0.094 1.00 0.00 C ATOM 334 O HIS C 474 -14.223 -10.475 -0.033 1.00 0.00 O ATOM 335 CB HIS C 474 -11.524 -11.848 -1.152 1.00 0.00 C ATOM 336 CG HIS C 474 -11.704 -10.676 -2.086 1.00 0.00 C ATOM 337 ND1 HIS C 474 -10.764 -9.684 -2.238 1.00 0.00 N ATOM 338 CD2 HIS C 474 -12.719 -10.357 -2.928 1.00 0.00 C ATOM 339 CE1 HIS C 474 -11.189 -8.808 -3.127 1.00 0.00 C ATOM 340 NE2 HIS C 474 -12.372 -9.193 -3.563 1.00 0.00 N ATOM 0 H HIS C 474 -11.250 -13.513 0.662 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.799 -10.731 0.657 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -10.458 -12.034 -1.023 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.948 -12.737 -1.618 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -13.631 -10.917 -3.071 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -10.657 -7.923 -3.445 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -12.936 -8.705 -4.259 1.00 0.00 H new ATOM 349 N LEU C 475 -14.340 -12.702 0.133 1.00 0.00 N ATOM 350 CA LEU C 475 -15.780 -12.721 0.034 1.00 0.00 C ATOM 351 C LEU C 475 -16.395 -12.196 1.319 1.00 0.00 C ATOM 352 O LEU C 475 -17.503 -11.655 1.317 1.00 0.00 O ATOM 353 CB LEU C 475 -16.284 -14.124 -0.280 1.00 0.00 C ATOM 354 CG LEU C 475 -15.838 -14.702 -1.627 1.00 0.00 C ATOM 355 CD1 LEU C 475 -16.515 -16.031 -1.885 1.00 0.00 C ATOM 356 CD2 LEU C 475 -16.129 -13.728 -2.756 1.00 0.00 C ATOM 0 H LEU C 475 -13.907 -13.620 0.232 1.00 0.00 H new ATOM 0 HA LEU C 475 -16.083 -12.071 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -15.951 -14.796 0.511 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.374 -14.114 -0.252 1.00 0.00 H new ATOM 0 HG LEU C 475 -14.761 -14.865 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.186 -16.426 -2.846 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -16.251 -16.733 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -17.596 -15.892 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.804 -14.160 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -17.200 -13.528 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -15.593 -12.796 -2.580 1.00 0.00 H new ATOM 368 N VAL C 476 -15.655 -12.340 2.412 1.00 0.00 N ATOM 369 CA VAL C 476 -16.089 -11.818 3.696 1.00 0.00 C ATOM 370 C VAL C 476 -15.962 -10.300 3.667 1.00 0.00 C ATOM 371 O VAL C 476 -16.875 -9.579 4.059 1.00 0.00 O ATOM 372 CB VAL C 476 -15.242 -12.386 4.868 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.795 -11.934 6.207 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.182 -13.898 4.811 1.00 0.00 C ATOM 0 H VAL C 476 -14.752 -12.814 2.432 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.123 -12.121 3.862 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.230 -11.996 4.763 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.184 -12.345 7.011 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.778 -10.845 6.259 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.821 -12.286 6.315 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -14.583 -14.270 5.642 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.191 -14.305 4.880 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -14.729 -14.209 3.870 1.00 0.00 H new ATOM 384 N LEU C 477 -14.817 -9.833 3.160 1.00 0.00 N ATOM 385 CA LEU C 477 -14.550 -8.403 2.988 1.00 0.00 C ATOM 386 C LEU C 477 -15.678 -7.731 2.223 1.00 0.00 C ATOM 387 O LEU C 477 -16.117 -6.640 2.581 1.00 0.00 O ATOM 388 CB LEU C 477 -13.244 -8.207 2.211 1.00 0.00 C ATOM 389 CG LEU C 477 -11.945 -8.311 2.998 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.763 -8.141 2.062 1.00 0.00 C ATOM 391 CD2 LEU C 477 -11.900 -7.259 4.095 1.00 0.00 C ATOM 0 H LEU C 477 -14.051 -10.435 2.858 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.470 -7.953 3.978 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -13.214 -8.945 1.409 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -13.276 -7.225 1.739 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.895 -9.295 3.463 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.836 -8.216 2.630 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -10.787 -8.921 1.301 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.816 -7.164 1.582 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -10.964 -7.349 4.647 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -11.965 -6.266 3.650 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -12.738 -7.407 4.776 1.00 0.00 H new ATOM 403 N GLN C 478 -16.139 -8.399 1.174 1.00 0.00 N ATOM 404 CA GLN C 478 -17.191 -7.886 0.329 1.00 0.00 C ATOM 405 C GLN C 478 -18.432 -7.532 1.139 1.00 0.00 C ATOM 406 O GLN C 478 -18.874 -6.385 1.127 1.00 0.00 O ATOM 407 CB GLN C 478 -17.542 -8.911 -0.744 1.00 0.00 C ATOM 408 CG GLN C 478 -18.577 -8.423 -1.734 1.00 0.00 C ATOM 409 CD GLN C 478 -18.910 -9.451 -2.795 1.00 0.00 C ATOM 410 OE1 GLN C 478 -18.859 -10.720 -2.434 1.00 0.00 O flip ATOM 411 NE2 GLN C 478 -19.222 -9.102 -3.934 1.00 0.00 N flip ATOM 0 H GLN C 478 -15.788 -9.314 0.890 1.00 0.00 H new ATOM 0 HA GLN C 478 -16.829 -6.974 -0.145 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.635 -9.184 -1.284 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -17.911 -9.817 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -19.487 -8.154 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -18.212 -7.516 -2.216 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -19.250 -8.111 -4.174 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -19.453 -9.804 -4.637 1.00 0.00 H new ATOM 420 N ASP C 479 -18.969 -8.507 1.864 1.00 0.00 N ATOM 421 CA ASP C 479 -20.192 -8.298 2.643 1.00 0.00 C ATOM 422 C ASP C 479 -19.977 -7.265 3.729 1.00 0.00 C ATOM 423 O ASP C 479 -20.878 -6.515 4.063 1.00 0.00 O ATOM 424 CB ASP C 479 -20.678 -9.598 3.267 1.00 0.00 C ATOM 425 CG ASP C 479 -22.081 -9.471 3.846 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.227 -9.010 5.005 1.00 0.00 O ATOM 427 OD2 ASP C 479 -23.041 -9.828 3.140 1.00 0.00 O ATOM 0 H ASP C 479 -18.581 -9.448 1.931 1.00 0.00 H new ATOM 0 HA ASP C 479 -20.953 -7.934 1.953 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -20.668 -10.386 2.514 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.988 -9.901 4.055 1.00 0.00 H new ATOM 432 N LEU C 480 -18.771 -7.204 4.252 1.00 0.00 N ATOM 433 CA LEU C 480 -18.451 -6.262 5.302 1.00 0.00 C ATOM 434 C LEU C 480 -18.461 -4.841 4.788 1.00 0.00 C ATOM 435 O LEU C 480 -18.634 -3.904 5.548 1.00 0.00 O ATOM 436 CB LEU C 480 -17.110 -6.580 5.960 1.00 0.00 C ATOM 437 CG LEU C 480 -17.180 -7.364 7.264 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.256 -6.809 8.180 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.438 -8.800 6.983 1.00 0.00 C ATOM 0 H LEU C 480 -17.993 -7.799 3.965 1.00 0.00 H new ATOM 0 HA LEU C 480 -19.228 -6.359 6.061 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.504 -7.144 5.251 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.588 -5.642 6.150 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.220 -7.265 7.771 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.283 -7.388 9.103 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.035 -5.767 8.412 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.224 -6.872 7.684 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.486 -9.352 7.922 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -18.385 -8.903 6.453 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.632 -9.201 6.368 1.00 0.00 H new ATOM 451 N GLN C 481 -18.268 -4.678 3.504 1.00 0.00 N ATOM 452 CA GLN C 481 -18.339 -3.372 2.912 1.00 0.00 C ATOM 453 C GLN C 481 -19.784 -3.060 2.560 1.00 0.00 C ATOM 454 O GLN C 481 -20.164 -1.903 2.399 1.00 0.00 O ATOM 455 CB GLN C 481 -17.440 -3.286 1.680 1.00 0.00 C ATOM 456 CG GLN C 481 -15.984 -3.582 1.983 1.00 0.00 C ATOM 457 CD GLN C 481 -15.061 -3.277 0.828 1.00 0.00 C ATOM 458 OE1 GLN C 481 -14.814 -4.124 -0.034 1.00 0.00 O ATOM 459 NE2 GLN C 481 -14.531 -2.070 0.807 1.00 0.00 N ATOM 0 H GLN C 481 -18.061 -5.434 2.851 1.00 0.00 H new ATOM 0 HA GLN C 481 -17.981 -2.631 3.627 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.798 -3.988 0.927 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -17.519 -2.288 1.249 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.675 -2.999 2.850 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.882 -4.633 2.253 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -14.762 -1.399 1.540 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -13.890 -1.807 0.058 1.00 0.00 H new ATOM 468 N LEU C 482 -20.588 -4.113 2.461 1.00 0.00 N ATOM 469 CA LEU C 482 -21.990 -3.992 2.130 1.00 0.00 C ATOM 470 C LEU C 482 -22.832 -3.747 3.385 1.00 0.00 C ATOM 471 O LEU C 482 -23.662 -2.837 3.417 1.00 0.00 O ATOM 472 CB LEU C 482 -22.481 -5.265 1.427 1.00 0.00 C ATOM 473 CG LEU C 482 -21.618 -5.783 0.273 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.320 -6.907 -0.469 1.00 0.00 C ATOM 475 CD2 LEU C 482 -21.237 -4.664 -0.677 1.00 0.00 C ATOM 0 H LEU C 482 -20.278 -5.073 2.610 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.103 -3.139 1.461 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -22.565 -6.056 2.172 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.485 -5.079 1.046 1.00 0.00 H new ATOM 0 HG LEU C 482 -20.699 -6.182 0.702 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -21.686 -7.257 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -22.515 -7.730 0.218 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -23.263 -6.542 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.625 -5.065 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -22.140 -4.217 -1.093 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -20.672 -3.904 -0.137 1.00 0.00 H new ATOM 487 N THR C 483 -22.619 -4.560 4.413 1.00 0.00 N ATOM 488 CA THR C 483 -23.386 -4.447 5.640 1.00 0.00 C ATOM 489 C THR C 483 -22.614 -3.696 6.716 1.00 0.00 C ATOM 490 O THR C 483 -23.208 -3.002 7.546 1.00 0.00 O ATOM 491 CB THR C 483 -23.773 -5.834 6.179 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.594 -6.630 6.360 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.718 -6.535 5.223 1.00 0.00 C ATOM 0 H THR C 483 -21.921 -5.303 4.418 1.00 0.00 H new ATOM 0 HA THR C 483 -24.289 -3.887 5.396 1.00 0.00 H new ATOM 0 HB THR C 483 -24.278 -5.705 7.136 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.650 -7.431 5.798 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.980 -7.515 5.623 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.623 -5.939 5.103 1.00 0.00 H new ATOM 0 HG23 THR C 483 -24.232 -6.656 4.255 1.00 0.00 H new ATOM 501 N ARG C 484 -21.281 -3.840 6.694 1.00 0.00 N ATOM 502 CA ARG C 484 -20.404 -3.219 7.682 1.00 0.00 C ATOM 503 C ARG C 484 -20.704 -3.753 9.081 1.00 0.00 C ATOM 504 O ARG C 484 -20.391 -3.113 10.093 1.00 0.00 O ATOM 505 CB ARG C 484 -20.535 -1.702 7.633 1.00 0.00 C ATOM 506 CG ARG C 484 -20.360 -1.124 6.242 1.00 0.00 C ATOM 507 CD ARG C 484 -20.498 0.382 6.241 1.00 0.00 C ATOM 508 NE ARG C 484 -21.801 0.825 6.754 1.00 0.00 N ATOM 509 CZ ARG C 484 -22.300 2.058 6.600 1.00 0.00 C ATOM 510 NH1 ARG C 484 -21.632 2.974 5.897 1.00 0.00 N ATOM 511 NH2 ARG C 484 -23.473 2.369 7.135 1.00 0.00 N ATOM 0 H ARG C 484 -20.787 -4.390 5.991 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.373 -3.477 7.440 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -21.515 -1.417 8.015 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -19.793 -1.260 8.298 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.379 -1.400 5.854 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -21.102 -1.558 5.572 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -19.704 0.817 6.848 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -20.364 0.756 5.226 1.00 0.00 H new ATOM 0 HE ARG C 484 -22.366 0.145 7.264 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -20.735 2.737 5.473 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -22.018 3.911 5.784 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -23.994 1.669 7.663 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -23.854 3.308 7.018 1.00 0.00 H new ATOM 525 N SER C 485 -21.288 -4.944 9.126 1.00 0.00 N ATOM 526 CA SER C 485 -21.659 -5.579 10.369 1.00 0.00 C ATOM 527 C SER C 485 -21.296 -7.050 10.329 1.00 0.00 C ATOM 528 O SER C 485 -21.960 -7.830 9.652 1.00 0.00 O ATOM 529 CB SER C 485 -23.164 -5.431 10.601 1.00 0.00 C ATOM 530 OG SER C 485 -23.560 -6.005 11.842 1.00 0.00 O ATOM 0 H SER C 485 -21.515 -5.492 8.296 1.00 0.00 H new ATOM 0 HA SER C 485 -21.119 -5.098 11.184 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.433 -4.375 10.585 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.707 -5.911 9.787 1.00 0.00 H new ATOM 0 HG SER C 485 -24.336 -5.521 12.194 1.00 0.00 H new ATOM 536 N VAL C 486 -20.238 -7.430 11.046 1.00 0.00 N ATOM 537 CA VAL C 486 -19.813 -8.823 11.089 1.00 0.00 C ATOM 538 C VAL C 486 -20.934 -9.739 11.579 1.00 0.00 C ATOM 539 O VAL C 486 -21.025 -10.902 11.168 1.00 0.00 O ATOM 540 CB VAL C 486 -18.553 -9.034 11.966 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.399 -8.200 11.466 1.00 0.00 C ATOM 542 CG2 VAL C 486 -18.827 -8.748 13.432 1.00 0.00 C ATOM 0 H VAL C 486 -19.665 -6.794 11.601 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.559 -9.087 10.062 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.279 -10.086 11.884 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.528 -8.367 12.099 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.162 -8.484 10.441 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.672 -7.145 11.496 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -17.917 -8.908 14.010 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.152 -7.714 13.546 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.609 -9.416 13.793 1.00 0.00 H new ATOM 552 N GLU C 487 -21.794 -9.207 12.442 1.00 0.00 N ATOM 553 CA GLU C 487 -22.910 -9.962 12.964 1.00 0.00 C ATOM 554 C GLU C 487 -23.859 -10.330 11.834 1.00 0.00 C ATOM 555 O GLU C 487 -24.273 -11.489 11.709 1.00 0.00 O ATOM 556 CB GLU C 487 -23.634 -9.160 14.040 1.00 0.00 C ATOM 557 CG GLU C 487 -24.746 -9.920 14.734 1.00 0.00 C ATOM 558 CD GLU C 487 -25.347 -9.138 15.875 1.00 0.00 C ATOM 559 OE1 GLU C 487 -24.803 -9.206 16.994 1.00 0.00 O ATOM 560 OE2 GLU C 487 -26.366 -8.443 15.656 1.00 0.00 O ATOM 0 H GLU C 487 -21.732 -8.251 12.791 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.538 -10.881 13.418 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -22.909 -8.836 14.787 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.050 -8.260 13.589 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -25.525 -10.160 14.011 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -24.357 -10.866 15.110 1.00 0.00 H new ATOM 567 N ILE C 488 -24.182 -9.349 10.996 1.00 0.00 N ATOM 568 CA ILE C 488 -25.043 -9.593 9.857 1.00 0.00 C ATOM 569 C ILE C 488 -24.331 -10.482 8.860 1.00 0.00 C ATOM 570 O ILE C 488 -24.867 -11.466 8.449 1.00 0.00 O ATOM 571 CB ILE C 488 -25.487 -8.294 9.153 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.146 -7.339 10.155 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.451 -8.614 8.012 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.673 -6.062 9.531 1.00 0.00 C ATOM 0 H ILE C 488 -23.860 -8.386 11.088 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.940 -10.082 10.237 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.605 -7.805 8.739 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -26.968 -7.857 10.649 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.421 -7.082 10.928 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.757 -7.689 7.524 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.955 -9.260 7.287 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.330 -9.122 8.410 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.124 -5.439 10.303 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -25.852 -5.520 9.062 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.423 -6.307 8.779 1.00 0.00 H new ATOM 586 N THR C 489 -23.109 -10.105 8.489 1.00 0.00 N ATOM 587 CA THR C 489 -22.273 -10.875 7.571 1.00 0.00 C ATOM 588 C THR C 489 -22.262 -12.375 7.902 1.00 0.00 C ATOM 589 O THR C 489 -22.429 -13.201 7.017 1.00 0.00 O ATOM 590 CB THR C 489 -20.832 -10.348 7.590 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.835 -8.952 7.285 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.965 -11.085 6.582 1.00 0.00 C ATOM 0 H THR C 489 -22.667 -9.248 8.821 1.00 0.00 H new ATOM 0 HA THR C 489 -22.707 -10.752 6.579 1.00 0.00 H new ATOM 0 HB THR C 489 -20.417 -10.514 8.584 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.133 -8.820 6.361 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.950 -10.690 6.618 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.950 -12.148 6.823 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.373 -10.946 5.581 1.00 0.00 H new ATOM 600 N THR C 490 -22.083 -12.718 9.174 1.00 0.00 N ATOM 601 CA THR C 490 -22.062 -14.119 9.573 1.00 0.00 C ATOM 602 C THR C 490 -23.406 -14.778 9.267 1.00 0.00 C ATOM 603 O THR C 490 -23.462 -15.868 8.694 1.00 0.00 O ATOM 604 CB THR C 490 -21.742 -14.272 11.068 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.549 -13.537 11.394 1.00 0.00 O ATOM 606 CG2 THR C 490 -21.533 -15.732 11.410 1.00 0.00 C ATOM 0 H THR C 490 -21.952 -12.054 9.937 1.00 0.00 H new ATOM 0 HA THR C 490 -21.276 -14.613 9.001 1.00 0.00 H new ATOM 0 HB THR C 490 -22.581 -13.881 11.643 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.771 -12.590 11.513 1.00 0.00 H new ATOM 0 HG21 THR C 490 -21.307 -15.828 12.472 1.00 0.00 H new ATOM 0 HG22 THR C 490 -22.439 -16.293 11.180 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.703 -16.127 10.825 1.00 0.00 H new ATOM 614 N ASP C 491 -24.483 -14.090 9.624 1.00 0.00 N ATOM 615 CA ASP C 491 -25.832 -14.573 9.347 1.00 0.00 C ATOM 616 C ASP C 491 -26.072 -14.563 7.849 1.00 0.00 C ATOM 617 O ASP C 491 -26.714 -15.447 7.300 1.00 0.00 O ATOM 618 CB ASP C 491 -26.864 -13.692 10.050 1.00 0.00 C ATOM 619 CG ASP C 491 -28.287 -14.086 9.724 1.00 0.00 C ATOM 620 OD1 ASP C 491 -28.649 -15.265 9.936 1.00 0.00 O ATOM 621 OD2 ASP C 491 -29.060 -13.210 9.280 1.00 0.00 O ATOM 0 H ASP C 491 -24.449 -13.193 10.108 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.933 -15.591 9.723 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -26.713 -13.752 11.128 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.704 -12.653 9.763 1.00 0.00 H new ATOM 626 N ASN C 492 -25.519 -13.556 7.208 1.00 0.00 N ATOM 627 CA ASN C 492 -25.577 -13.389 5.778 1.00 0.00 C ATOM 628 C ASN C 492 -25.004 -14.622 5.086 1.00 0.00 C ATOM 629 O ASN C 492 -25.626 -15.192 4.193 1.00 0.00 O ATOM 630 CB ASN C 492 -24.804 -12.123 5.368 1.00 0.00 C ATOM 631 CG ASN C 492 -25.707 -10.970 5.006 1.00 0.00 C ATOM 632 OD1 ASN C 492 -26.854 -11.161 4.595 1.00 0.00 O ATOM 633 ND2 ASN C 492 -25.188 -9.767 5.116 1.00 0.00 N ATOM 0 H ASN C 492 -25.004 -12.814 7.682 1.00 0.00 H new ATOM 0 HA ASN C 492 -26.616 -13.274 5.470 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -24.151 -11.822 6.187 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -24.163 -12.355 4.518 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -25.739 -8.948 4.857 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.235 -9.652 5.461 1.00 0.00 H new ATOM 640 N ILE C 493 -23.813 -15.040 5.525 1.00 0.00 N ATOM 641 CA ILE C 493 -23.171 -16.249 5.007 1.00 0.00 C ATOM 642 C ILE C 493 -24.124 -17.429 5.143 1.00 0.00 C ATOM 643 O ILE C 493 -24.317 -18.208 4.208 1.00 0.00 O ATOM 644 CB ILE C 493 -21.884 -16.592 5.806 1.00 0.00 C ATOM 645 CG1 ILE C 493 -20.904 -15.429 5.800 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.217 -17.836 5.241 1.00 0.00 C ATOM 647 CD1 ILE C 493 -19.794 -15.582 6.821 1.00 0.00 C ATOM 0 H ILE C 493 -23.273 -14.555 6.242 1.00 0.00 H new ATOM 0 HA ILE C 493 -22.914 -16.064 3.964 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.179 -16.786 6.837 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -20.465 -15.336 4.806 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.446 -14.504 5.997 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.317 -18.059 5.815 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -21.906 -18.679 5.304 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -20.949 -17.664 4.199 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.128 -14.720 6.767 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.225 -15.645 7.820 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.229 -16.490 6.611 1.00 0.00 H new ATOM 659 N LEU C 494 -24.730 -17.521 6.317 1.00 0.00 N ATOM 660 CA LEU C 494 -25.649 -18.593 6.662 1.00 0.00 C ATOM 661 C LEU C 494 -26.923 -18.561 5.805 1.00 0.00 C ATOM 662 O LEU C 494 -27.496 -19.609 5.503 1.00 0.00 O ATOM 663 CB LEU C 494 -25.993 -18.504 8.149 1.00 0.00 C ATOM 664 CG LEU C 494 -24.811 -18.707 9.103 1.00 0.00 C ATOM 665 CD1 LEU C 494 -25.193 -18.343 10.528 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.309 -20.141 9.029 1.00 0.00 C ATOM 0 H LEU C 494 -24.595 -16.843 7.067 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.157 -19.544 6.456 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.435 -17.527 8.346 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.755 -19.250 8.375 1.00 0.00 H new ATOM 0 HG LEU C 494 -24.005 -18.043 8.793 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -24.337 -18.496 11.185 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -25.498 -17.297 10.567 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -26.019 -18.974 10.856 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.470 -20.268 9.712 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -25.112 -20.823 9.310 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -23.985 -20.361 8.012 1.00 0.00 H new ATOM 678 N GLU C 495 -27.366 -17.368 5.424 1.00 0.00 N ATOM 679 CA GLU C 495 -28.545 -17.232 4.562 1.00 0.00 C ATOM 680 C GLU C 495 -28.206 -17.623 3.134 1.00 0.00 C ATOM 681 O GLU C 495 -29.086 -17.932 2.334 1.00 0.00 O ATOM 682 CB GLU C 495 -29.074 -15.797 4.559 1.00 0.00 C ATOM 683 CG GLU C 495 -29.554 -15.289 5.899 1.00 0.00 C ATOM 684 CD GLU C 495 -30.286 -13.975 5.772 1.00 0.00 C ATOM 685 OE1 GLU C 495 -29.635 -12.945 5.509 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.530 -13.964 5.912 1.00 0.00 O ATOM 0 H GLU C 495 -26.934 -16.484 5.693 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.313 -17.895 4.961 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.286 -15.136 4.198 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -29.896 -15.731 3.847 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.213 -16.029 6.353 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.702 -15.167 6.568 1.00 0.00 H new ATOM 693 N GLY C 496 -26.926 -17.614 2.827 1.00 0.00 N ATOM 694 CA GLY C 496 -26.486 -17.902 1.486 1.00 0.00 C ATOM 695 C GLY C 496 -26.204 -16.635 0.722 1.00 0.00 C ATOM 696 O GLY C 496 -26.205 -16.624 -0.508 1.00 0.00 O ATOM 0 H GLY C 496 -26.177 -17.411 3.489 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -25.587 -18.517 1.520 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.249 -18.481 0.966 1.00 0.00 H new ATOM 700 N ARG C 497 -25.972 -15.557 1.464 1.00 0.00 N ATOM 701 CA ARG C 497 -25.670 -14.259 0.881 1.00 0.00 C ATOM 702 C ARG C 497 -24.321 -14.311 0.178 1.00 0.00 C ATOM 703 O ARG C 497 -24.148 -13.763 -0.910 1.00 0.00 O ATOM 704 CB ARG C 497 -25.647 -13.196 1.979 1.00 0.00 C ATOM 705 CG ARG C 497 -25.638 -11.769 1.483 1.00 0.00 C ATOM 706 CD ARG C 497 -27.018 -11.350 1.041 1.00 0.00 C ATOM 707 NE ARG C 497 -28.011 -11.572 2.099 1.00 0.00 N ATOM 708 CZ ARG C 497 -29.290 -11.889 1.882 1.00 0.00 C ATOM 709 NH1 ARG C 497 -29.745 -12.013 0.637 1.00 0.00 N ATOM 710 NH2 ARG C 497 -30.107 -12.106 2.910 1.00 0.00 N ATOM 0 H ARG C 497 -25.988 -15.561 2.484 1.00 0.00 H new ATOM 0 HA ARG C 497 -26.439 -14.003 0.152 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -26.518 -13.337 2.619 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -24.765 -13.355 2.600 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -25.287 -11.106 2.274 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -24.939 -11.672 0.652 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -27.008 -10.296 0.765 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -27.302 -11.910 0.150 1.00 0.00 H new ATOM 0 HE ARG C 497 -27.703 -11.478 3.067 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -29.116 -11.866 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -30.722 -12.255 0.473 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -29.756 -12.030 3.865 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -31.084 -12.348 2.743 1.00 0.00 H new ATOM 724 N ILE C 498 -23.369 -14.976 0.813 1.00 0.00 N ATOM 725 CA ILE C 498 -22.042 -15.139 0.254 1.00 0.00 C ATOM 726 C ILE C 498 -21.881 -16.558 -0.264 1.00 0.00 C ATOM 727 O ILE C 498 -21.901 -17.515 0.515 1.00 0.00 O ATOM 728 CB ILE C 498 -20.914 -14.851 1.292 1.00 0.00 C ATOM 729 CG1 ILE C 498 -20.968 -13.403 1.805 1.00 0.00 C ATOM 730 CG2 ILE C 498 -19.549 -15.140 0.690 1.00 0.00 C ATOM 731 CD1 ILE C 498 -21.982 -13.169 2.899 1.00 0.00 C ATOM 0 H ILE C 498 -23.496 -15.415 1.725 1.00 0.00 H new ATOM 0 HA ILE C 498 -21.944 -14.414 -0.554 1.00 0.00 H new ATOM 0 HB ILE C 498 -21.077 -15.513 2.142 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -19.981 -13.124 2.174 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -21.194 -12.742 0.969 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -18.774 -14.933 1.429 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -19.497 -16.187 0.393 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -19.395 -14.507 -0.184 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -21.954 -12.123 3.203 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.978 -13.414 2.530 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -21.746 -13.802 3.755 1.00 0.00 H new