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 -123:sc= 1.28 USER MOD Set 1.2: C 489 THR OG1 : rot 79:sc= 1.26 USER MOD Set 2.1: C 462 HIS : no HD1:sc= -1.07 K(o=-0.92,f=0.44) USER MOD Set 2.2: C 473 TYR OH : rot -17:sc= 0.149 USER MOD Single : C 456 GLN : amide:sc=-0.00329 K(o=-0.0033,f=-0.93) USER MOD Single : C 458 ASN : amide:sc= -0.99 K(o=-0.99,f=-3.2!) USER MOD Single : C 460 MET CE :methyl 167:sc= -1.93 (180deg=-2.63) USER MOD Single : C 463 GLN : amide:sc= -0.0127 X(o=-0.013,f=-0.25) USER MOD Single : C 465 GLN : amide:sc= -0.593 K(o=-0.59,f=-1.7!) USER MOD Single : C 467 MET CE :methyl -179:sc= -1.89 (180deg=-1.95) USER MOD Single : C 470 GLN : amide:sc= -0.0485 K(o=-0.049,f=-1.2!) USER MOD Single : C 474 HIS : no HD1:sc=-0.00463 X(o=-0.0046,f=-0.0046) USER MOD Single : C 478 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : C 481 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.068) USER MOD Single : C 485 SER OG : rot 150:sc= -0.0608 USER MOD Single : C 490 THR OG1 : rot 84:sc= 1.27 USER MOD Single : C 492 ASN : amide:sc= -6.44! C(o=-6.4!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN C 456 -10.018 -1.249 9.635 1.00 0.00 N ATOM 40 CA GLN C 456 -10.984 -1.866 10.540 1.00 0.00 C ATOM 41 C GLN C 456 -11.784 -2.961 9.845 1.00 0.00 C ATOM 42 O GLN C 456 -12.192 -3.931 10.477 1.00 0.00 O ATOM 43 CB GLN C 456 -11.917 -0.827 11.177 1.00 0.00 C ATOM 44 CG GLN C 456 -12.827 -0.099 10.203 1.00 0.00 C ATOM 45 CD GLN C 456 -13.773 0.849 10.911 1.00 0.00 C ATOM 46 OE1 GLN C 456 -14.167 0.613 12.054 1.00 0.00 O ATOM 47 NE2 GLN C 456 -14.147 1.921 10.247 1.00 0.00 N ATOM 0 HA GLN C 456 -10.411 -2.329 11.343 1.00 0.00 H new ATOM 0 HB2 GLN C 456 -12.534 -1.325 11.925 1.00 0.00 H new ATOM 0 HB3 GLN C 456 -11.310 -0.091 11.704 1.00 0.00 H new ATOM 0 HG2 GLN C 456 -12.221 0.459 9.489 1.00 0.00 H new ATOM 0 HG3 GLN C 456 -13.403 -0.827 9.632 1.00 0.00 H new ATOM 0 HE21 GLN C 456 -13.799 2.082 9.302 1.00 0.00 H new ATOM 0 HE22 GLN C 456 -14.785 2.591 10.677 1.00 0.00 H new ATOM 56 N LEU C 457 -11.988 -2.817 8.541 1.00 0.00 N ATOM 57 CA LEU C 457 -12.715 -3.823 7.782 1.00 0.00 C ATOM 58 C LEU C 457 -11.890 -5.089 7.691 1.00 0.00 C ATOM 59 O LEU C 457 -12.409 -6.192 7.844 1.00 0.00 O ATOM 60 CB LEU C 457 -13.063 -3.324 6.384 1.00 0.00 C ATOM 61 CG LEU C 457 -13.975 -2.102 6.312 1.00 0.00 C ATOM 62 CD1 LEU C 457 -14.360 -1.824 4.881 1.00 0.00 C ATOM 63 CD2 LEU C 457 -15.212 -2.298 7.167 1.00 0.00 C ATOM 0 H LEU C 457 -11.663 -2.021 7.993 1.00 0.00 H new ATOM 0 HA LEU C 457 -13.649 -4.032 8.303 1.00 0.00 H new ATOM 0 HB2 LEU C 457 -12.135 -3.090 5.863 1.00 0.00 H new ATOM 0 HB3 LEU C 457 -13.538 -4.139 5.838 1.00 0.00 H new ATOM 0 HG LEU C 457 -13.429 -1.243 6.702 1.00 0.00 H new ATOM 0 HD11 LEU C 457 -15.011 -0.950 4.842 1.00 0.00 H new ATOM 0 HD12 LEU C 457 -13.462 -1.634 4.293 1.00 0.00 H new ATOM 0 HD13 LEU C 457 -14.886 -2.686 4.472 1.00 0.00 H new ATOM 0 HD21 LEU C 457 -15.845 -1.414 7.099 1.00 0.00 H new ATOM 0 HD22 LEU C 457 -15.765 -3.168 6.813 1.00 0.00 H new ATOM 0 HD23 LEU C 457 -14.916 -2.453 8.205 1.00 0.00 H new ATOM 75 N ASN C 458 -10.596 -4.917 7.449 1.00 0.00 N ATOM 76 CA ASN C 458 -9.663 -6.034 7.392 1.00 0.00 C ATOM 77 C ASN C 458 -9.673 -6.775 8.709 1.00 0.00 C ATOM 78 O ASN C 458 -9.677 -8.004 8.747 1.00 0.00 O ATOM 79 CB ASN C 458 -8.240 -5.547 7.093 1.00 0.00 C ATOM 80 CG ASN C 458 -8.045 -5.112 5.655 1.00 0.00 C ATOM 81 OD1 ASN C 458 -8.972 -4.655 4.996 1.00 0.00 O ATOM 82 ND2 ASN C 458 -6.829 -5.251 5.161 1.00 0.00 N ATOM 0 H ASN C 458 -10.167 -4.006 7.288 1.00 0.00 H new ATOM 0 HA ASN C 458 -9.978 -6.701 6.589 1.00 0.00 H new ATOM 0 HB2 ASN C 458 -8.003 -4.713 7.753 1.00 0.00 H new ATOM 0 HB3 ASN C 458 -7.534 -6.345 7.323 1.00 0.00 H new ATOM 0 HD21 ASN C 458 -6.635 -4.974 4.199 1.00 0.00 H new ATOM 0 HD22 ASN C 458 -6.084 -5.636 5.741 1.00 0.00 H new ATOM 89 N ALA C 459 -9.686 -6.015 9.795 1.00 0.00 N ATOM 90 CA ALA C 459 -9.730 -6.581 11.124 1.00 0.00 C ATOM 91 C ALA C 459 -11.000 -7.395 11.313 1.00 0.00 C ATOM 92 O ALA C 459 -10.938 -8.576 11.640 1.00 0.00 O ATOM 93 CB ALA C 459 -9.638 -5.482 12.175 1.00 0.00 C ATOM 0 H ALA C 459 -9.666 -4.995 9.774 1.00 0.00 H new ATOM 0 HA ALA C 459 -8.874 -7.245 11.245 1.00 0.00 H new ATOM 0 HB1 ALA C 459 -9.673 -5.926 13.170 1.00 0.00 H new ATOM 0 HB2 ALA C 459 -8.701 -4.939 12.052 1.00 0.00 H new ATOM 0 HB3 ALA C 459 -10.475 -4.794 12.056 1.00 0.00 H new ATOM 99 N MET C 460 -12.149 -6.764 11.061 1.00 0.00 N ATOM 100 CA MET C 460 -13.444 -7.418 11.232 1.00 0.00 C ATOM 101 C MET C 460 -13.559 -8.676 10.378 1.00 0.00 C ATOM 102 O MET C 460 -14.077 -9.702 10.834 1.00 0.00 O ATOM 103 CB MET C 460 -14.586 -6.459 10.898 1.00 0.00 C ATOM 104 CG MET C 460 -14.670 -5.244 11.811 1.00 0.00 C ATOM 105 SD MET C 460 -16.315 -4.499 11.824 1.00 0.00 S ATOM 106 CE MET C 460 -16.476 -4.001 10.116 1.00 0.00 C ATOM 0 H MET C 460 -12.207 -5.799 10.737 1.00 0.00 H new ATOM 0 HA MET C 460 -13.519 -7.711 12.279 1.00 0.00 H new ATOM 0 HB2 MET C 460 -14.470 -6.119 9.869 1.00 0.00 H new ATOM 0 HB3 MET C 460 -15.529 -7.003 10.949 1.00 0.00 H new ATOM 0 HG2 MET C 460 -14.400 -5.537 12.826 1.00 0.00 H new ATOM 0 HG3 MET C 460 -13.941 -4.501 11.489 1.00 0.00 H new ATOM 0 HE1 MET C 460 -17.514 -3.738 9.910 1.00 0.00 H new ATOM 0 HE2 MET C 460 -15.838 -3.137 9.927 1.00 0.00 H new ATOM 0 HE3 MET C 460 -16.174 -4.823 9.467 1.00 0.00 H new ATOM 116 N ALA C 461 -13.076 -8.595 9.143 1.00 0.00 N ATOM 117 CA ALA C 461 -13.108 -9.725 8.230 1.00 0.00 C ATOM 118 C ALA C 461 -12.327 -10.909 8.797 1.00 0.00 C ATOM 119 O ALA C 461 -12.684 -12.066 8.572 1.00 0.00 O ATOM 120 CB ALA C 461 -12.558 -9.321 6.871 1.00 0.00 C ATOM 0 H ALA C 461 -12.656 -7.752 8.752 1.00 0.00 H new ATOM 0 HA ALA C 461 -14.145 -10.036 8.107 1.00 0.00 H new ATOM 0 HB1 ALA C 461 -12.588 -10.177 6.197 1.00 0.00 H new ATOM 0 HB2 ALA C 461 -13.163 -8.514 6.459 1.00 0.00 H new ATOM 0 HB3 ALA C 461 -11.528 -8.982 6.981 1.00 0.00 H new ATOM 126 N HIS C 462 -11.265 -10.610 9.544 1.00 0.00 N ATOM 127 CA HIS C 462 -10.451 -11.650 10.158 1.00 0.00 C ATOM 128 C HIS C 462 -11.220 -12.389 11.244 1.00 0.00 C ATOM 129 O HIS C 462 -11.157 -13.606 11.322 1.00 0.00 O ATOM 130 CB HIS C 462 -9.142 -11.086 10.724 1.00 0.00 C ATOM 131 CG HIS C 462 -7.998 -11.111 9.755 1.00 0.00 C ATOM 132 ND1 HIS C 462 -7.122 -12.166 9.661 1.00 0.00 N ATOM 133 CD2 HIS C 462 -7.588 -10.209 8.833 1.00 0.00 C ATOM 134 CE1 HIS C 462 -6.227 -11.917 8.732 1.00 0.00 C ATOM 135 NE2 HIS C 462 -6.483 -10.737 8.208 1.00 0.00 N ATOM 0 H HIS C 462 -10.952 -9.659 9.736 1.00 0.00 H new ATOM 0 HA HIS C 462 -10.200 -12.361 9.370 1.00 0.00 H new ATOM 0 HB2 HIS C 462 -9.310 -10.058 11.045 1.00 0.00 H new ATOM 0 HB3 HIS C 462 -8.866 -11.656 11.611 1.00 0.00 H new ATOM 0 HD2 HIS C 462 -8.044 -9.252 8.627 1.00 0.00 H new ATOM 0 HE1 HIS C 462 -5.417 -12.571 8.446 1.00 0.00 H new ATOM 0 HE2 HIS C 462 -5.950 -10.289 7.462 1.00 0.00 H new ATOM 144 N GLN C 463 -11.963 -11.649 12.075 1.00 0.00 N ATOM 145 CA GLN C 463 -12.751 -12.274 13.148 1.00 0.00 C ATOM 146 C GLN C 463 -13.725 -13.297 12.584 1.00 0.00 C ATOM 147 O GLN C 463 -13.852 -14.402 13.113 1.00 0.00 O ATOM 148 CB GLN C 463 -13.520 -11.234 13.981 1.00 0.00 C ATOM 149 CG GLN C 463 -12.694 -10.523 15.050 1.00 0.00 C ATOM 150 CD GLN C 463 -11.740 -9.496 14.484 1.00 0.00 C ATOM 151 OE1 GLN C 463 -12.096 -8.329 14.319 1.00 0.00 O ATOM 152 NE2 GLN C 463 -10.524 -9.909 14.201 1.00 0.00 N ATOM 0 H GLN C 463 -12.036 -10.633 12.029 1.00 0.00 H new ATOM 0 HA GLN C 463 -12.041 -12.777 13.805 1.00 0.00 H new ATOM 0 HB2 GLN C 463 -13.935 -10.485 13.306 1.00 0.00 H new ATOM 0 HB3 GLN C 463 -14.362 -11.729 14.464 1.00 0.00 H new ATOM 0 HG2 GLN C 463 -13.367 -10.034 15.754 1.00 0.00 H new ATOM 0 HG3 GLN C 463 -12.127 -11.264 15.613 1.00 0.00 H new ATOM 0 HE21 GLN C 463 -10.269 -10.885 14.352 1.00 0.00 H new ATOM 0 HE22 GLN C 463 -9.836 -9.253 13.830 1.00 0.00 H new ATOM 161 N ILE C 464 -14.408 -12.932 11.506 1.00 0.00 N ATOM 162 CA ILE C 464 -15.340 -13.845 10.872 1.00 0.00 C ATOM 163 C ILE C 464 -14.598 -15.020 10.257 1.00 0.00 C ATOM 164 O ILE C 464 -15.031 -16.148 10.372 1.00 0.00 O ATOM 165 CB ILE C 464 -16.188 -13.159 9.788 1.00 0.00 C ATOM 166 CG1 ILE C 464 -16.946 -11.960 10.370 1.00 0.00 C ATOM 167 CG2 ILE C 464 -17.171 -14.161 9.176 1.00 0.00 C ATOM 168 CD1 ILE C 464 -17.680 -11.159 9.323 1.00 0.00 C ATOM 0 H ILE C 464 -14.333 -12.018 11.059 1.00 0.00 H new ATOM 0 HA ILE C 464 -16.013 -14.196 11.654 1.00 0.00 H new ATOM 0 HB ILE C 464 -15.521 -12.796 9.007 1.00 0.00 H new ATOM 0 HG12 ILE C 464 -17.660 -12.315 11.114 1.00 0.00 H new ATOM 0 HG13 ILE C 464 -16.242 -11.310 10.889 1.00 0.00 H new ATOM 0 HG21 ILE C 464 -17.766 -13.665 8.410 1.00 0.00 H new ATOM 0 HG22 ILE C 464 -16.618 -14.986 8.728 1.00 0.00 H new ATOM 0 HG23 ILE C 464 -17.830 -14.546 9.954 1.00 0.00 H new ATOM 0 HD11 ILE C 464 -18.196 -10.325 9.799 1.00 0.00 H new ATOM 0 HD12 ILE C 464 -16.968 -10.776 8.592 1.00 0.00 H new ATOM 0 HD13 ILE C 464 -18.407 -11.797 8.821 1.00 0.00 H new ATOM 180 N GLN C 465 -13.462 -14.746 9.626 1.00 0.00 N ATOM 181 CA GLN C 465 -12.651 -15.797 9.009 1.00 0.00 C ATOM 182 C GLN C 465 -12.150 -16.786 10.066 1.00 0.00 C ATOM 183 O GLN C 465 -11.985 -17.976 9.796 1.00 0.00 O ATOM 184 CB GLN C 465 -11.471 -15.176 8.250 1.00 0.00 C ATOM 185 CG GLN C 465 -10.559 -16.189 7.563 1.00 0.00 C ATOM 186 CD GLN C 465 -11.294 -17.090 6.580 1.00 0.00 C ATOM 187 OE1 GLN C 465 -10.907 -18.237 6.369 1.00 0.00 O ATOM 188 NE2 GLN C 465 -12.345 -16.580 5.964 1.00 0.00 N ATOM 0 H GLN C 465 -13.079 -13.806 9.526 1.00 0.00 H new ATOM 0 HA GLN C 465 -13.273 -16.344 8.301 1.00 0.00 H new ATOM 0 HB2 GLN C 465 -11.860 -14.488 7.499 1.00 0.00 H new ATOM 0 HB3 GLN C 465 -10.877 -14.585 8.947 1.00 0.00 H new ATOM 0 HG2 GLN C 465 -9.768 -15.656 7.035 1.00 0.00 H new ATOM 0 HG3 GLN C 465 -10.077 -16.806 8.321 1.00 0.00 H new ATOM 0 HE21 GLN C 465 -12.639 -15.624 6.163 1.00 0.00 H new ATOM 0 HE22 GLN C 465 -12.863 -17.142 5.289 1.00 0.00 H new ATOM 197 N GLU C 466 -11.919 -16.284 11.263 1.00 0.00 N ATOM 198 CA GLU C 466 -11.476 -17.107 12.370 1.00 0.00 C ATOM 199 C GLU C 466 -12.604 -18.002 12.873 1.00 0.00 C ATOM 200 O GLU C 466 -12.362 -19.066 13.443 1.00 0.00 O ATOM 201 CB GLU C 466 -10.942 -16.224 13.494 1.00 0.00 C ATOM 202 CG GLU C 466 -9.630 -15.542 13.148 1.00 0.00 C ATOM 203 CD GLU C 466 -8.563 -16.525 12.722 1.00 0.00 C ATOM 204 OE1 GLU C 466 -7.821 -17.013 13.591 1.00 0.00 O ATOM 205 OE2 GLU C 466 -8.458 -16.810 11.512 1.00 0.00 O ATOM 0 H GLU C 466 -12.033 -15.297 11.495 1.00 0.00 H new ATOM 0 HA GLU C 466 -10.672 -17.755 12.020 1.00 0.00 H new ATOM 0 HB2 GLU C 466 -11.686 -15.465 13.735 1.00 0.00 H new ATOM 0 HB3 GLU C 466 -10.804 -16.831 14.389 1.00 0.00 H new ATOM 0 HG2 GLU C 466 -9.798 -14.823 12.346 1.00 0.00 H new ATOM 0 HG3 GLU C 466 -9.277 -14.979 14.012 1.00 0.00 H new ATOM 212 N MET C 467 -13.829 -17.566 12.663 1.00 0.00 N ATOM 213 CA MET C 467 -14.986 -18.338 13.068 1.00 0.00 C ATOM 214 C MET C 467 -15.461 -19.217 11.917 1.00 0.00 C ATOM 215 O MET C 467 -15.903 -20.345 12.121 1.00 0.00 O ATOM 216 CB MET C 467 -16.113 -17.409 13.519 1.00 0.00 C ATOM 217 CG MET C 467 -15.751 -16.528 14.704 1.00 0.00 C ATOM 218 SD MET C 467 -17.121 -15.484 15.254 1.00 0.00 S ATOM 219 CE MET C 467 -17.420 -14.492 13.790 1.00 0.00 C ATOM 0 H MET C 467 -14.050 -16.678 12.213 1.00 0.00 H new ATOM 0 HA MET C 467 -14.703 -18.976 13.905 1.00 0.00 H new ATOM 0 HB2 MET C 467 -16.403 -16.774 12.682 1.00 0.00 H new ATOM 0 HB3 MET C 467 -16.984 -18.011 13.779 1.00 0.00 H new ATOM 0 HG2 MET C 467 -15.427 -17.158 15.532 1.00 0.00 H new ATOM 0 HG3 MET C 467 -14.905 -15.896 14.434 1.00 0.00 H new ATOM 0 HE1 MET C 467 -18.228 -13.788 13.987 1.00 0.00 H new ATOM 0 HE2 MET C 467 -16.515 -13.942 13.532 1.00 0.00 H new ATOM 0 HE3 MET C 467 -17.699 -15.142 12.961 1.00 0.00 H new ATOM 229 N PHE C 468 -15.353 -18.690 10.710 1.00 0.00 N ATOM 230 CA PHE C 468 -15.778 -19.380 9.508 1.00 0.00 C ATOM 231 C PHE C 468 -14.623 -19.518 8.516 1.00 0.00 C ATOM 232 O PHE C 468 -14.540 -18.776 7.543 1.00 0.00 O ATOM 233 CB PHE C 468 -16.952 -18.633 8.842 1.00 0.00 C ATOM 234 CG PHE C 468 -18.271 -18.813 9.539 1.00 0.00 C ATOM 235 CD1 PHE C 468 -18.432 -18.433 10.855 1.00 0.00 C ATOM 236 CD2 PHE C 468 -19.348 -19.373 8.873 1.00 0.00 C ATOM 237 CE1 PHE C 468 -19.633 -18.612 11.501 1.00 0.00 C ATOM 238 CE2 PHE C 468 -20.556 -19.552 9.512 1.00 0.00 C ATOM 239 CZ PHE C 468 -20.700 -19.172 10.829 1.00 0.00 C ATOM 0 H PHE C 468 -14.964 -17.763 10.537 1.00 0.00 H new ATOM 0 HA PHE C 468 -16.108 -20.378 9.796 1.00 0.00 H new ATOM 0 HB2 PHE C 468 -16.716 -17.569 8.803 1.00 0.00 H new ATOM 0 HB3 PHE C 468 -17.048 -18.976 7.812 1.00 0.00 H new ATOM 0 HD1 PHE C 468 -17.603 -17.989 11.386 1.00 0.00 H new ATOM 0 HD2 PHE C 468 -19.240 -19.673 7.841 1.00 0.00 H new ATOM 0 HE1 PHE C 468 -19.741 -18.314 12.534 1.00 0.00 H new ATOM 0 HE2 PHE C 468 -21.389 -19.989 8.981 1.00 0.00 H new ATOM 0 HZ PHE C 468 -21.645 -19.312 11.333 1.00 0.00 H new ATOM 249 N PRO C 469 -13.702 -20.467 8.763 1.00 0.00 N ATOM 250 CA PRO C 469 -12.574 -20.726 7.867 1.00 0.00 C ATOM 251 C PRO C 469 -13.046 -21.392 6.585 1.00 0.00 C ATOM 252 O PRO C 469 -12.311 -21.496 5.602 1.00 0.00 O ATOM 253 CB PRO C 469 -11.684 -21.697 8.663 1.00 0.00 C ATOM 254 CG PRO C 469 -12.225 -21.682 10.051 1.00 0.00 C ATOM 255 CD PRO C 469 -13.672 -21.332 9.934 1.00 0.00 C ATOM 0 HA PRO C 469 -12.058 -19.811 7.574 1.00 0.00 H new ATOM 0 HB2 PRO C 469 -11.719 -22.700 8.238 1.00 0.00 H new ATOM 0 HB3 PRO C 469 -10.641 -21.380 8.644 1.00 0.00 H new ATOM 0 HG2 PRO C 469 -12.098 -22.654 10.528 1.00 0.00 H new ATOM 0 HG3 PRO C 469 -11.697 -20.953 10.666 1.00 0.00 H new ATOM 0 HD2 PRO C 469 -14.293 -22.218 9.798 1.00 0.00 H new ATOM 0 HD3 PRO C 469 -14.037 -20.820 10.824 1.00 0.00 H new ATOM 263 N GLN C 470 -14.284 -21.838 6.623 1.00 0.00 N ATOM 264 CA GLN C 470 -14.910 -22.523 5.512 1.00 0.00 C ATOM 265 C GLN C 470 -15.310 -21.553 4.400 1.00 0.00 C ATOM 266 O GLN C 470 -15.581 -21.969 3.274 1.00 0.00 O ATOM 267 CB GLN C 470 -16.121 -23.311 6.013 1.00 0.00 C ATOM 268 CG GLN C 470 -17.181 -22.458 6.692 1.00 0.00 C ATOM 269 CD GLN C 470 -18.142 -23.281 7.532 1.00 0.00 C ATOM 270 OE1 GLN C 470 -17.767 -24.314 8.084 1.00 0.00 O ATOM 271 NE2 GLN C 470 -19.376 -22.835 7.636 1.00 0.00 N ATOM 0 H GLN C 470 -14.891 -21.734 7.436 1.00 0.00 H new ATOM 0 HA GLN C 470 -14.185 -23.214 5.083 1.00 0.00 H new ATOM 0 HB2 GLN C 470 -16.575 -23.833 5.170 1.00 0.00 H new ATOM 0 HB3 GLN C 470 -15.780 -24.073 6.714 1.00 0.00 H new ATOM 0 HG2 GLN C 470 -16.694 -21.716 7.325 1.00 0.00 H new ATOM 0 HG3 GLN C 470 -17.743 -21.911 5.934 1.00 0.00 H new ATOM 0 HE21 GLN C 470 -19.648 -21.973 7.163 1.00 0.00 H new ATOM 0 HE22 GLN C 470 -20.060 -23.351 8.190 1.00 0.00 H new ATOM 280 N VAL C 471 -15.338 -20.267 4.715 1.00 0.00 N ATOM 281 CA VAL C 471 -15.693 -19.264 3.737 1.00 0.00 C ATOM 282 C VAL C 471 -14.458 -18.451 3.343 1.00 0.00 C ATOM 283 O VAL C 471 -13.478 -18.394 4.095 1.00 0.00 O ATOM 284 CB VAL C 471 -16.802 -18.315 4.263 1.00 0.00 C ATOM 285 CG1 VAL C 471 -17.968 -19.103 4.834 1.00 0.00 C ATOM 286 CG2 VAL C 471 -16.255 -17.332 5.283 1.00 0.00 C ATOM 0 H VAL C 471 -15.119 -19.899 5.641 1.00 0.00 H new ATOM 0 HA VAL C 471 -16.083 -19.782 2.861 1.00 0.00 H new ATOM 0 HB VAL C 471 -17.170 -17.737 3.415 1.00 0.00 H new ATOM 0 HG11 VAL C 471 -18.731 -18.413 5.195 1.00 0.00 H new ATOM 0 HG12 VAL C 471 -18.392 -19.739 4.057 1.00 0.00 H new ATOM 0 HG13 VAL C 471 -17.619 -19.723 5.660 1.00 0.00 H new ATOM 0 HG21 VAL C 471 -17.059 -16.683 5.630 1.00 0.00 H new ATOM 0 HG22 VAL C 471 -15.839 -17.879 6.129 1.00 0.00 H new ATOM 0 HG23 VAL C 471 -15.473 -16.727 4.823 1.00 0.00 H new ATOM 296 N PRO C 472 -14.479 -17.822 2.164 1.00 0.00 N ATOM 297 CA PRO C 472 -13.360 -17.031 1.671 1.00 0.00 C ATOM 298 C PRO C 472 -13.269 -15.676 2.356 1.00 0.00 C ATOM 299 O PRO C 472 -14.253 -14.936 2.436 1.00 0.00 O ATOM 300 CB PRO C 472 -13.661 -16.844 0.177 1.00 0.00 C ATOM 301 CG PRO C 472 -14.885 -17.657 -0.093 1.00 0.00 C ATOM 302 CD PRO C 472 -15.584 -17.825 1.220 1.00 0.00 C ATOM 0 HA PRO C 472 -12.408 -17.525 1.865 1.00 0.00 H new ATOM 0 HB2 PRO C 472 -13.828 -15.793 -0.060 1.00 0.00 H new ATOM 0 HB3 PRO C 472 -12.825 -17.180 -0.436 1.00 0.00 H new ATOM 0 HG2 PRO C 472 -15.531 -17.157 -0.815 1.00 0.00 H new ATOM 0 HG3 PRO C 472 -14.621 -18.625 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO C 472 -16.286 -17.014 1.413 1.00 0.00 H new ATOM 0 HD3 PRO C 472 -16.152 -18.754 1.262 1.00 0.00 H new ATOM 310 N TYR C 473 -12.080 -15.359 2.827 1.00 0.00 N ATOM 311 CA TYR C 473 -11.809 -14.104 3.515 1.00 0.00 C ATOM 312 C TYR C 473 -12.131 -12.901 2.629 1.00 0.00 C ATOM 313 O TYR C 473 -12.642 -11.886 3.111 1.00 0.00 O ATOM 314 CB TYR C 473 -10.338 -14.059 3.957 1.00 0.00 C ATOM 315 CG TYR C 473 -9.889 -12.718 4.500 1.00 0.00 C ATOM 316 CD1 TYR C 473 -10.042 -12.401 5.840 1.00 0.00 C ATOM 317 CD2 TYR C 473 -9.310 -11.769 3.665 1.00 0.00 C ATOM 318 CE1 TYR C 473 -9.635 -11.178 6.331 1.00 0.00 C ATOM 319 CE2 TYR C 473 -8.900 -10.548 4.149 1.00 0.00 C ATOM 320 CZ TYR C 473 -9.063 -10.255 5.480 1.00 0.00 C ATOM 321 OH TYR C 473 -8.658 -9.032 5.964 1.00 0.00 O ATOM 0 H TYR C 473 -11.265 -15.967 2.745 1.00 0.00 H new ATOM 0 HA TYR C 473 -12.453 -14.052 4.393 1.00 0.00 H new ATOM 0 HB2 TYR C 473 -10.178 -14.819 4.722 1.00 0.00 H new ATOM 0 HB3 TYR C 473 -9.708 -14.323 3.108 1.00 0.00 H new ATOM 0 HD1 TYR C 473 -10.486 -13.122 6.510 1.00 0.00 H new ATOM 0 HD2 TYR C 473 -9.180 -11.994 2.617 1.00 0.00 H new ATOM 0 HE1 TYR C 473 -9.764 -10.944 7.377 1.00 0.00 H new ATOM 0 HE2 TYR C 473 -8.452 -9.824 3.485 1.00 0.00 H new ATOM 0 HH TYR C 473 -9.080 -8.868 6.833 1.00 0.00 H new ATOM 331 N HIS C 474 -11.831 -13.024 1.335 1.00 0.00 N ATOM 332 CA HIS C 474 -12.067 -11.934 0.378 1.00 0.00 C ATOM 333 C HIS C 474 -13.513 -11.489 0.417 1.00 0.00 C ATOM 334 O HIS C 474 -13.806 -10.321 0.644 1.00 0.00 O ATOM 335 CB HIS C 474 -11.737 -12.356 -1.063 1.00 0.00 C ATOM 336 CG HIS C 474 -10.363 -12.903 -1.277 1.00 0.00 C ATOM 337 ND1 HIS C 474 -9.211 -12.249 -0.900 1.00 0.00 N ATOM 338 CD2 HIS C 474 -9.968 -14.062 -1.839 1.00 0.00 C ATOM 339 CE1 HIS C 474 -8.167 -12.986 -1.222 1.00 0.00 C ATOM 340 NE2 HIS C 474 -8.599 -14.093 -1.792 1.00 0.00 N ATOM 0 H HIS C 474 -11.425 -13.864 0.923 1.00 0.00 H new ATOM 0 HA HIS C 474 -11.410 -11.116 0.673 1.00 0.00 H new ATOM 0 HB2 HIS C 474 -12.461 -13.108 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS C 474 -11.871 -11.493 -1.715 1.00 0.00 H new ATOM 0 HD2 HIS C 474 -10.612 -14.826 -2.250 1.00 0.00 H new ATOM 0 HE1 HIS C 474 -7.133 -12.727 -1.048 1.00 0.00 H new ATOM 0 HE2 HIS C 474 -8.010 -14.849 -2.141 1.00 0.00 H new ATOM 349 N LEU C 475 -14.416 -12.443 0.222 1.00 0.00 N ATOM 350 CA LEU C 475 -15.841 -12.160 0.149 1.00 0.00 C ATOM 351 C LEU C 475 -16.348 -11.577 1.458 1.00 0.00 C ATOM 352 O LEU C 475 -17.260 -10.750 1.463 1.00 0.00 O ATOM 353 CB LEU C 475 -16.625 -13.426 -0.201 1.00 0.00 C ATOM 354 CG LEU C 475 -16.076 -14.268 -1.364 1.00 0.00 C ATOM 355 CD1 LEU C 475 -17.097 -15.303 -1.799 1.00 0.00 C ATOM 356 CD2 LEU C 475 -15.655 -13.396 -2.544 1.00 0.00 C ATOM 0 H LEU C 475 -14.181 -13.429 0.111 1.00 0.00 H new ATOM 0 HA LEU C 475 -15.995 -11.423 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU C 475 -16.670 -14.057 0.687 1.00 0.00 H new ATOM 0 HB3 LEU C 475 -17.649 -13.139 -0.440 1.00 0.00 H new ATOM 0 HG LEU C 475 -15.185 -14.784 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU C 475 -16.692 -15.890 -2.623 1.00 0.00 H new ATOM 0 HD12 LEU C 475 -17.326 -15.963 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU C 475 -18.008 -14.801 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU C 475 -15.273 -14.028 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU C 475 -16.515 -12.833 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU C 475 -14.876 -12.704 -2.225 1.00 0.00 H new ATOM 368 N VAL C 476 -15.758 -12.014 2.560 1.00 0.00 N ATOM 369 CA VAL C 476 -16.114 -11.498 3.869 1.00 0.00 C ATOM 370 C VAL C 476 -15.803 -10.006 3.942 1.00 0.00 C ATOM 371 O VAL C 476 -16.686 -9.192 4.182 1.00 0.00 O ATOM 372 CB VAL C 476 -15.352 -12.239 4.996 1.00 0.00 C ATOM 373 CG1 VAL C 476 -15.671 -11.637 6.351 1.00 0.00 C ATOM 374 CG2 VAL C 476 -15.691 -13.718 4.983 1.00 0.00 C ATOM 0 H VAL C 476 -15.029 -12.727 2.572 1.00 0.00 H new ATOM 0 HA VAL C 476 -17.182 -11.661 4.013 1.00 0.00 H new ATOM 0 HB VAL C 476 -14.283 -12.124 4.814 1.00 0.00 H new ATOM 0 HG11 VAL C 476 -15.124 -12.174 7.126 1.00 0.00 H new ATOM 0 HG12 VAL C 476 -15.377 -10.587 6.361 1.00 0.00 H new ATOM 0 HG13 VAL C 476 -16.741 -11.716 6.541 1.00 0.00 H new ATOM 0 HG21 VAL C 476 -15.147 -14.223 5.781 1.00 0.00 H new ATOM 0 HG22 VAL C 476 -16.762 -13.847 5.136 1.00 0.00 H new ATOM 0 HG23 VAL C 476 -15.407 -14.148 4.022 1.00 0.00 H new ATOM 384 N LEU C 477 -14.543 -9.662 3.693 1.00 0.00 N ATOM 385 CA LEU C 477 -14.087 -8.273 3.712 1.00 0.00 C ATOM 386 C LEU C 477 -14.923 -7.450 2.737 1.00 0.00 C ATOM 387 O LEU C 477 -15.370 -6.347 3.054 1.00 0.00 O ATOM 388 CB LEU C 477 -12.603 -8.234 3.304 1.00 0.00 C ATOM 389 CG LEU C 477 -11.751 -7.109 3.896 1.00 0.00 C ATOM 390 CD1 LEU C 477 -10.311 -7.246 3.437 1.00 0.00 C ATOM 391 CD2 LEU C 477 -12.295 -5.744 3.521 1.00 0.00 C ATOM 0 H LEU C 477 -13.809 -10.336 3.473 1.00 0.00 H new ATOM 0 HA LEU C 477 -14.200 -7.853 4.712 1.00 0.00 H new ATOM 0 HB2 LEU C 477 -12.150 -9.185 3.583 1.00 0.00 H new ATOM 0 HB3 LEU C 477 -12.552 -8.162 2.218 1.00 0.00 H new ATOM 0 HG LEU C 477 -11.790 -7.196 4.982 1.00 0.00 H new ATOM 0 HD11 LEU C 477 -9.715 -6.440 3.865 1.00 0.00 H new ATOM 0 HD12 LEU C 477 -9.914 -8.206 3.767 1.00 0.00 H new ATOM 0 HD13 LEU C 477 -10.269 -7.191 2.349 1.00 0.00 H new ATOM 0 HD21 LEU C 477 -11.666 -4.969 3.958 1.00 0.00 H new ATOM 0 HD22 LEU C 477 -12.299 -5.639 2.436 1.00 0.00 H new ATOM 0 HD23 LEU C 477 -13.312 -5.641 3.899 1.00 0.00 H new ATOM 403 N GLN C 478 -15.132 -8.009 1.561 1.00 0.00 N ATOM 404 CA GLN C 478 -15.930 -7.380 0.525 1.00 0.00 C ATOM 405 C GLN C 478 -17.336 -7.037 1.026 1.00 0.00 C ATOM 406 O GLN C 478 -17.828 -5.934 0.794 1.00 0.00 O ATOM 407 CB GLN C 478 -16.008 -8.293 -0.702 1.00 0.00 C ATOM 408 CG GLN C 478 -14.724 -8.336 -1.518 1.00 0.00 C ATOM 409 CD GLN C 478 -14.747 -9.390 -2.618 1.00 0.00 C ATOM 410 OE1 GLN C 478 -13.703 -9.924 -3.004 1.00 0.00 O ATOM 411 NE2 GLN C 478 -15.922 -9.701 -3.122 1.00 0.00 N ATOM 0 H GLN C 478 -14.751 -8.917 1.295 1.00 0.00 H new ATOM 0 HA GLN C 478 -15.444 -6.445 0.247 1.00 0.00 H new ATOM 0 HB2 GLN C 478 -16.255 -9.304 -0.376 1.00 0.00 H new ATOM 0 HB3 GLN C 478 -16.823 -7.957 -1.342 1.00 0.00 H new ATOM 0 HG2 GLN C 478 -14.552 -7.357 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN C 478 -13.884 -8.534 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN C 478 -16.763 -9.238 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN C 478 -15.992 -10.405 -3.857 1.00 0.00 H new ATOM 420 N ASP C 479 -17.961 -7.971 1.736 1.00 0.00 N ATOM 421 CA ASP C 479 -19.324 -7.766 2.241 1.00 0.00 C ATOM 422 C ASP C 479 -19.343 -6.785 3.401 1.00 0.00 C ATOM 423 O ASP C 479 -20.357 -6.159 3.671 1.00 0.00 O ATOM 424 CB ASP C 479 -19.954 -9.081 2.673 1.00 0.00 C ATOM 425 CG ASP C 479 -21.425 -8.925 3.021 1.00 0.00 C ATOM 426 OD1 ASP C 479 -22.252 -8.846 2.085 1.00 0.00 O ATOM 427 OD2 ASP C 479 -21.760 -8.877 4.224 1.00 0.00 O ATOM 0 H ASP C 479 -17.552 -8.874 1.976 1.00 0.00 H new ATOM 0 HA ASP C 479 -19.909 -7.348 1.421 1.00 0.00 H new ATOM 0 HB2 ASP C 479 -19.847 -9.813 1.873 1.00 0.00 H new ATOM 0 HB3 ASP C 479 -19.417 -9.473 3.537 1.00 0.00 H new ATOM 432 N LEU C 480 -18.220 -6.641 4.080 1.00 0.00 N ATOM 433 CA LEU C 480 -18.122 -5.689 5.175 1.00 0.00 C ATOM 434 C LEU C 480 -18.271 -4.252 4.670 1.00 0.00 C ATOM 435 O LEU C 480 -18.497 -3.332 5.445 1.00 0.00 O ATOM 436 CB LEU C 480 -16.824 -5.874 5.976 1.00 0.00 C ATOM 437 CG LEU C 480 -16.945 -6.685 7.274 1.00 0.00 C ATOM 438 CD1 LEU C 480 -18.129 -6.220 8.100 1.00 0.00 C ATOM 439 CD2 LEU C 480 -17.075 -8.147 6.971 1.00 0.00 C ATOM 0 H LEU C 480 -17.366 -7.167 3.895 1.00 0.00 H new ATOM 0 HA LEU C 480 -18.948 -5.888 5.857 1.00 0.00 H new ATOM 0 HB2 LEU C 480 -16.090 -6.361 5.334 1.00 0.00 H new ATOM 0 HB3 LEU C 480 -16.428 -4.889 6.222 1.00 0.00 H new ATOM 0 HG LEU C 480 -16.036 -6.523 7.854 1.00 0.00 H new ATOM 0 HD11 LEU C 480 -18.190 -6.812 9.013 1.00 0.00 H new ATOM 0 HD12 LEU C 480 -18.003 -5.168 8.357 1.00 0.00 H new ATOM 0 HD13 LEU C 480 -19.046 -6.345 7.524 1.00 0.00 H new ATOM 0 HD21 LEU C 480 -17.160 -8.706 7.903 1.00 0.00 H new ATOM 0 HD22 LEU C 480 -17.965 -8.315 6.365 1.00 0.00 H new ATOM 0 HD23 LEU C 480 -16.195 -8.485 6.424 1.00 0.00 H new ATOM 451 N GLN C 481 -18.134 -4.072 3.365 1.00 0.00 N ATOM 452 CA GLN C 481 -18.395 -2.792 2.740 1.00 0.00 C ATOM 453 C GLN C 481 -19.871 -2.690 2.384 1.00 0.00 C ATOM 454 O GLN C 481 -20.439 -1.602 2.324 1.00 0.00 O ATOM 455 CB GLN C 481 -17.550 -2.635 1.481 1.00 0.00 C ATOM 456 CG GLN C 481 -16.221 -1.958 1.718 1.00 0.00 C ATOM 457 CD GLN C 481 -16.355 -0.457 1.897 1.00 0.00 C ATOM 458 OE1 GLN C 481 -16.279 0.305 0.931 1.00 0.00 O ATOM 459 NE2 GLN C 481 -16.559 -0.020 3.124 1.00 0.00 N ATOM 0 H GLN C 481 -17.841 -4.804 2.718 1.00 0.00 H new ATOM 0 HA GLN C 481 -18.133 -1.998 3.439 1.00 0.00 H new ATOM 0 HB2 GLN C 481 -17.373 -3.620 1.048 1.00 0.00 H new ATOM 0 HB3 GLN C 481 -18.114 -2.060 0.746 1.00 0.00 H new ATOM 0 HG2 GLN C 481 -15.752 -2.386 2.604 1.00 0.00 H new ATOM 0 HG3 GLN C 481 -15.558 -2.162 0.877 1.00 0.00 H new ATOM 0 HE21 GLN C 481 -16.616 -0.682 3.898 1.00 0.00 H new ATOM 0 HE22 GLN C 481 -16.660 0.980 3.299 1.00 0.00 H new ATOM 468 N LEU C 482 -20.479 -3.842 2.171 1.00 0.00 N ATOM 469 CA LEU C 482 -21.875 -3.945 1.795 1.00 0.00 C ATOM 470 C LEU C 482 -22.791 -3.840 3.008 1.00 0.00 C ATOM 471 O LEU C 482 -23.703 -3.012 3.041 1.00 0.00 O ATOM 472 CB LEU C 482 -22.121 -5.284 1.087 1.00 0.00 C ATOM 473 CG LEU C 482 -21.754 -5.368 -0.405 1.00 0.00 C ATOM 474 CD1 LEU C 482 -22.705 -4.543 -1.231 1.00 0.00 C ATOM 475 CD2 LEU C 482 -20.323 -4.925 -0.656 1.00 0.00 C ATOM 0 H LEU C 482 -20.010 -4.744 2.256 1.00 0.00 H new ATOM 0 HA LEU C 482 -22.103 -3.117 1.124 1.00 0.00 H new ATOM 0 HB2 LEU C 482 -21.560 -6.054 1.617 1.00 0.00 H new ATOM 0 HB3 LEU C 482 -23.178 -5.531 1.190 1.00 0.00 H new ATOM 0 HG LEU C 482 -21.838 -6.413 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU C 482 -22.430 -4.615 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU C 482 -23.721 -4.914 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU C 482 -22.654 -3.502 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU C 482 -20.101 -4.998 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU C 482 -20.199 -3.892 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU C 482 -19.640 -5.566 -0.098 1.00 0.00 H new ATOM 487 N THR C 483 -22.547 -4.674 4.007 1.00 0.00 N ATOM 488 CA THR C 483 -23.391 -4.715 5.182 1.00 0.00 C ATOM 489 C THR C 483 -22.771 -3.945 6.341 1.00 0.00 C ATOM 490 O THR C 483 -23.488 -3.408 7.193 1.00 0.00 O ATOM 491 CB THR C 483 -23.648 -6.165 5.615 1.00 0.00 C ATOM 492 OG1 THR C 483 -22.400 -6.843 5.765 1.00 0.00 O ATOM 493 CG2 THR C 483 -24.504 -6.895 4.588 1.00 0.00 C ATOM 0 H THR C 483 -21.768 -5.332 4.023 1.00 0.00 H new ATOM 0 HA THR C 483 -24.337 -4.243 4.916 1.00 0.00 H new ATOM 0 HB THR C 483 -24.183 -6.155 6.565 1.00 0.00 H new ATOM 0 HG1 THR C 483 -22.386 -7.635 5.188 1.00 0.00 H new ATOM 0 HG21 THR C 483 -24.672 -7.920 4.917 1.00 0.00 H new ATOM 0 HG22 THR C 483 -25.462 -6.385 4.485 1.00 0.00 H new ATOM 0 HG23 THR C 483 -23.991 -6.902 3.626 1.00 0.00 H new ATOM 501 N ARG C 484 -21.428 -3.900 6.371 1.00 0.00 N ATOM 502 CA ARG C 484 -20.683 -3.209 7.424 1.00 0.00 C ATOM 503 C ARG C 484 -20.992 -3.799 8.799 1.00 0.00 C ATOM 504 O ARG C 484 -20.779 -3.160 9.823 1.00 0.00 O ATOM 505 CB ARG C 484 -20.999 -1.722 7.411 1.00 0.00 C ATOM 506 CG ARG C 484 -20.801 -1.059 6.065 1.00 0.00 C ATOM 507 CD ARG C 484 -21.187 0.395 6.131 1.00 0.00 C ATOM 508 NE ARG C 484 -21.127 1.050 4.823 1.00 0.00 N ATOM 509 CZ ARG C 484 -21.168 2.375 4.647 1.00 0.00 C ATOM 510 NH1 ARG C 484 -21.236 3.184 5.696 1.00 0.00 N ATOM 511 NH2 ARG C 484 -21.140 2.884 3.424 1.00 0.00 N ATOM 0 H ARG C 484 -20.836 -4.341 5.667 1.00 0.00 H new ATOM 0 HA ARG C 484 -19.620 -3.347 7.225 1.00 0.00 H new ATOM 0 HB2 ARG C 484 -22.033 -1.579 7.726 1.00 0.00 H new ATOM 0 HB3 ARG C 484 -20.369 -1.221 8.147 1.00 0.00 H new ATOM 0 HG2 ARG C 484 -19.759 -1.151 5.757 1.00 0.00 H new ATOM 0 HG3 ARG C 484 -21.402 -1.567 5.311 1.00 0.00 H new ATOM 0 HD2 ARG C 484 -22.197 0.482 6.531 1.00 0.00 H new ATOM 0 HD3 ARG C 484 -20.524 0.913 6.824 1.00 0.00 H new ATOM 0 HE ARG C 484 -21.049 0.459 3.995 1.00 0.00 H new ATOM 0 HH11 ARG C 484 -21.257 2.796 6.639 1.00 0.00 H new ATOM 0 HH12 ARG C 484 -21.267 4.194 5.560 1.00 0.00 H new ATOM 0 HH21 ARG C 484 -21.087 2.265 2.615 1.00 0.00 H new ATOM 0 HH22 ARG C 484 -21.171 3.895 3.291 1.00 0.00 H new ATOM 525 N SER C 485 -21.472 -5.026 8.810 1.00 0.00 N ATOM 526 CA SER C 485 -21.845 -5.687 10.035 1.00 0.00 C ATOM 527 C SER C 485 -21.366 -7.111 10.027 1.00 0.00 C ATOM 528 O SER C 485 -21.907 -7.927 9.305 1.00 0.00 O ATOM 529 CB SER C 485 -23.365 -5.675 10.189 1.00 0.00 C ATOM 530 OG SER C 485 -23.773 -6.405 11.338 1.00 0.00 O ATOM 0 H SER C 485 -21.613 -5.588 7.970 1.00 0.00 H new ATOM 0 HA SER C 485 -21.384 -5.156 10.868 1.00 0.00 H new ATOM 0 HB2 SER C 485 -23.717 -4.646 10.265 1.00 0.00 H new ATOM 0 HB3 SER C 485 -23.826 -6.105 9.300 1.00 0.00 H new ATOM 0 HG SER C 485 -24.602 -6.021 11.692 1.00 0.00 H new ATOM 536 N VAL C 486 -20.357 -7.422 10.838 1.00 0.00 N ATOM 537 CA VAL C 486 -19.850 -8.782 10.901 1.00 0.00 C ATOM 538 C VAL C 486 -20.944 -9.747 11.338 1.00 0.00 C ATOM 539 O VAL C 486 -20.932 -10.925 10.973 1.00 0.00 O ATOM 540 CB VAL C 486 -18.623 -8.922 11.838 1.00 0.00 C ATOM 541 CG1 VAL C 486 -17.552 -7.931 11.472 1.00 0.00 C ATOM 542 CG2 VAL C 486 -19.000 -8.794 13.302 1.00 0.00 C ATOM 0 H VAL C 486 -19.883 -6.758 11.451 1.00 0.00 H new ATOM 0 HA VAL C 486 -19.522 -9.034 9.893 1.00 0.00 H new ATOM 0 HB VAL C 486 -18.227 -9.928 11.697 1.00 0.00 H new ATOM 0 HG11 VAL C 486 -16.702 -8.049 12.144 1.00 0.00 H new ATOM 0 HG12 VAL C 486 -17.230 -8.106 10.445 1.00 0.00 H new ATOM 0 HG13 VAL C 486 -17.947 -6.919 11.561 1.00 0.00 H new ATOM 0 HG21 VAL C 486 -18.107 -8.899 13.918 1.00 0.00 H new ATOM 0 HG22 VAL C 486 -19.449 -7.817 13.478 1.00 0.00 H new ATOM 0 HG23 VAL C 486 -19.715 -9.574 13.563 1.00 0.00 H new ATOM 552 N GLU C 487 -21.899 -9.232 12.106 1.00 0.00 N ATOM 553 CA GLU C 487 -23.016 -10.025 12.559 1.00 0.00 C ATOM 554 C GLU C 487 -23.852 -10.451 11.363 1.00 0.00 C ATOM 555 O GLU C 487 -24.165 -11.634 11.204 1.00 0.00 O ATOM 556 CB GLU C 487 -23.856 -9.239 13.568 1.00 0.00 C ATOM 557 CG GLU C 487 -23.061 -8.761 14.776 1.00 0.00 C ATOM 558 CD GLU C 487 -23.916 -8.068 15.814 1.00 0.00 C ATOM 559 OE1 GLU C 487 -24.486 -8.766 16.676 1.00 0.00 O ATOM 560 OE2 GLU C 487 -24.014 -6.823 15.782 1.00 0.00 O ATOM 0 H GLU C 487 -21.913 -8.263 12.424 1.00 0.00 H new ATOM 0 HA GLU C 487 -22.646 -10.918 13.062 1.00 0.00 H new ATOM 0 HB2 GLU C 487 -24.297 -8.376 13.068 1.00 0.00 H new ATOM 0 HB3 GLU C 487 -24.680 -9.865 13.910 1.00 0.00 H new ATOM 0 HG2 GLU C 487 -22.562 -9.614 15.236 1.00 0.00 H new ATOM 0 HG3 GLU C 487 -22.280 -8.078 14.442 1.00 0.00 H new ATOM 567 N ILE C 488 -24.180 -9.491 10.502 1.00 0.00 N ATOM 568 CA ILE C 488 -24.929 -9.793 9.296 1.00 0.00 C ATOM 569 C ILE C 488 -24.060 -10.566 8.323 1.00 0.00 C ATOM 570 O ILE C 488 -24.482 -11.541 7.783 1.00 0.00 O ATOM 571 CB ILE C 488 -25.453 -8.521 8.585 1.00 0.00 C ATOM 572 CG1 ILE C 488 -26.338 -7.695 9.527 1.00 0.00 C ATOM 573 CG2 ILE C 488 -26.216 -8.895 7.314 1.00 0.00 C ATOM 574 CD1 ILE C 488 -26.850 -6.405 8.919 1.00 0.00 C ATOM 0 H ILE C 488 -23.939 -8.507 10.619 1.00 0.00 H new ATOM 0 HA ILE C 488 -25.788 -10.388 9.605 1.00 0.00 H new ATOM 0 HB ILE C 488 -24.596 -7.908 8.304 1.00 0.00 H new ATOM 0 HG12 ILE C 488 -27.189 -8.302 9.835 1.00 0.00 H new ATOM 0 HG13 ILE C 488 -25.772 -7.460 10.428 1.00 0.00 H new ATOM 0 HG21 ILE C 488 -26.577 -7.989 6.827 1.00 0.00 H new ATOM 0 HG22 ILE C 488 -25.553 -9.432 6.636 1.00 0.00 H new ATOM 0 HG23 ILE C 488 -27.063 -9.531 7.572 1.00 0.00 H new ATOM 0 HD11 ILE C 488 -27.467 -5.879 9.647 1.00 0.00 H new ATOM 0 HD12 ILE C 488 -26.006 -5.776 8.637 1.00 0.00 H new ATOM 0 HD13 ILE C 488 -27.446 -6.631 8.035 1.00 0.00 H new ATOM 586 N THR C 489 -22.831 -10.116 8.137 1.00 0.00 N ATOM 587 CA THR C 489 -21.892 -10.749 7.209 1.00 0.00 C ATOM 588 C THR C 489 -21.714 -12.251 7.489 1.00 0.00 C ATOM 589 O THR C 489 -21.449 -13.018 6.590 1.00 0.00 O ATOM 590 CB THR C 489 -20.517 -10.043 7.243 1.00 0.00 C ATOM 591 OG1 THR C 489 -20.690 -8.645 7.011 1.00 0.00 O ATOM 592 CG2 THR C 489 -19.570 -10.601 6.193 1.00 0.00 C ATOM 0 H THR C 489 -22.450 -9.303 8.621 1.00 0.00 H new ATOM 0 HA THR C 489 -22.324 -10.645 6.214 1.00 0.00 H new ATOM 0 HB THR C 489 -20.081 -10.218 8.227 1.00 0.00 H new ATOM 0 HG1 THR C 489 -21.001 -8.213 7.834 1.00 0.00 H new ATOM 0 HG21 THR C 489 -18.615 -10.078 6.250 1.00 0.00 H new ATOM 0 HG22 THR C 489 -19.413 -11.664 6.373 1.00 0.00 H new ATOM 0 HG23 THR C 489 -20.002 -10.461 5.202 1.00 0.00 H new ATOM 600 N THR C 490 -21.871 -12.658 8.731 1.00 0.00 N ATOM 601 CA THR C 490 -21.746 -14.062 9.070 1.00 0.00 C ATOM 602 C THR C 490 -23.099 -14.754 8.952 1.00 0.00 C ATOM 603 O THR C 490 -23.203 -15.873 8.443 1.00 0.00 O ATOM 604 CB THR C 490 -21.218 -14.243 10.500 1.00 0.00 C ATOM 605 OG1 THR C 490 -20.055 -13.432 10.702 1.00 0.00 O ATOM 606 CG2 THR C 490 -20.866 -15.688 10.739 1.00 0.00 C ATOM 0 H THR C 490 -22.084 -12.044 9.517 1.00 0.00 H new ATOM 0 HA THR C 490 -21.037 -14.508 8.372 1.00 0.00 H new ATOM 0 HB THR C 490 -21.996 -13.938 11.200 1.00 0.00 H new ATOM 0 HG1 THR C 490 -20.328 -12.520 10.933 1.00 0.00 H new ATOM 0 HG21 THR C 490 -20.492 -15.808 11.756 1.00 0.00 H new ATOM 0 HG22 THR C 490 -21.754 -16.306 10.603 1.00 0.00 H new ATOM 0 HG23 THR C 490 -20.097 -15.997 10.031 1.00 0.00 H new ATOM 614 N ASP C 491 -24.136 -14.067 9.396 1.00 0.00 N ATOM 615 CA ASP C 491 -25.481 -14.625 9.383 1.00 0.00 C ATOM 616 C ASP C 491 -26.024 -14.667 7.965 1.00 0.00 C ATOM 617 O ASP C 491 -26.781 -15.566 7.606 1.00 0.00 O ATOM 618 CB ASP C 491 -26.401 -13.807 10.288 1.00 0.00 C ATOM 619 CG ASP C 491 -27.726 -14.490 10.547 1.00 0.00 C ATOM 620 OD1 ASP C 491 -27.733 -15.552 11.206 1.00 0.00 O ATOM 621 OD2 ASP C 491 -28.764 -13.960 10.125 1.00 0.00 O ATOM 0 H ASP C 491 -24.075 -13.120 9.771 1.00 0.00 H new ATOM 0 HA ASP C 491 -25.440 -15.646 9.764 1.00 0.00 H new ATOM 0 HB2 ASP C 491 -25.900 -13.624 11.238 1.00 0.00 H new ATOM 0 HB3 ASP C 491 -26.582 -12.834 9.831 1.00 0.00 H new ATOM 626 N ASN C 492 -25.604 -13.706 7.150 1.00 0.00 N ATOM 627 CA ASN C 492 -26.025 -13.643 5.771 1.00 0.00 C ATOM 628 C ASN C 492 -25.505 -14.867 5.012 1.00 0.00 C ATOM 629 O ASN C 492 -26.187 -15.414 4.146 1.00 0.00 O ATOM 630 CB ASN C 492 -25.630 -12.282 5.078 1.00 0.00 C ATOM 631 CG ASN C 492 -24.160 -12.067 4.774 1.00 0.00 C ATOM 632 OD1 ASN C 492 -23.399 -12.990 4.599 1.00 0.00 O ATOM 633 ND2 ASN C 492 -23.780 -10.802 4.681 1.00 0.00 N ATOM 0 H ASN C 492 -24.968 -12.959 7.431 1.00 0.00 H new ATOM 0 HA ASN C 492 -27.114 -13.667 5.746 1.00 0.00 H new ATOM 0 HB2 ASN C 492 -26.184 -12.204 4.143 1.00 0.00 H new ATOM 0 HB3 ASN C 492 -25.967 -11.466 5.717 1.00 0.00 H new ATOM 0 HD21 ASN C 492 -22.812 -10.576 4.454 1.00 0.00 H new ATOM 0 HD22 ASN C 492 -24.456 -10.054 4.837 1.00 0.00 H new ATOM 640 N ILE C 493 -24.308 -15.320 5.385 1.00 0.00 N ATOM 641 CA ILE C 493 -23.721 -16.515 4.804 1.00 0.00 C ATOM 642 C ILE C 493 -24.579 -17.716 5.159 1.00 0.00 C ATOM 643 O ILE C 493 -24.918 -18.538 4.309 1.00 0.00 O ATOM 644 CB ILE C 493 -22.295 -16.774 5.355 1.00 0.00 C ATOM 645 CG1 ILE C 493 -21.378 -15.594 5.092 1.00 0.00 C ATOM 646 CG2 ILE C 493 -21.711 -18.034 4.744 1.00 0.00 C ATOM 647 CD1 ILE C 493 -20.052 -15.693 5.826 1.00 0.00 C ATOM 0 H ILE C 493 -23.727 -14.870 6.092 1.00 0.00 H new ATOM 0 HA ILE C 493 -23.667 -16.367 3.725 1.00 0.00 H new ATOM 0 HB ILE C 493 -22.376 -16.906 6.434 1.00 0.00 H new ATOM 0 HG12 ILE C 493 -21.189 -15.521 4.021 1.00 0.00 H new ATOM 0 HG13 ILE C 493 -21.884 -14.675 5.390 1.00 0.00 H new ATOM 0 HG21 ILE C 493 -20.710 -18.201 5.142 1.00 0.00 H new ATOM 0 HG22 ILE C 493 -22.346 -18.885 4.990 1.00 0.00 H new ATOM 0 HG23 ILE C 493 -21.657 -17.922 3.661 1.00 0.00 H new ATOM 0 HD11 ILE C 493 -19.443 -14.819 5.596 1.00 0.00 H new ATOM 0 HD12 ILE C 493 -20.233 -15.737 6.900 1.00 0.00 H new ATOM 0 HD13 ILE C 493 -19.527 -16.595 5.510 1.00 0.00 H new ATOM 659 N LEU C 494 -24.941 -17.783 6.427 1.00 0.00 N ATOM 660 CA LEU C 494 -25.741 -18.869 6.969 1.00 0.00 C ATOM 661 C LEU C 494 -27.124 -18.945 6.315 1.00 0.00 C ATOM 662 O LEU C 494 -27.738 -20.010 6.267 1.00 0.00 O ATOM 663 CB LEU C 494 -25.858 -18.702 8.484 1.00 0.00 C ATOM 664 CG LEU C 494 -24.552 -18.916 9.256 1.00 0.00 C ATOM 665 CD1 LEU C 494 -24.669 -18.399 10.675 1.00 0.00 C ATOM 666 CD2 LEU C 494 -24.175 -20.389 9.258 1.00 0.00 C ATOM 0 H LEU C 494 -24.686 -17.078 7.118 1.00 0.00 H new ATOM 0 HA LEU C 494 -25.240 -19.811 6.746 1.00 0.00 H new ATOM 0 HB2 LEU C 494 -26.230 -17.700 8.697 1.00 0.00 H new ATOM 0 HB3 LEU C 494 -26.603 -19.405 8.857 1.00 0.00 H new ATOM 0 HG LEU C 494 -23.765 -18.353 8.755 1.00 0.00 H new ATOM 0 HD11 LEU C 494 -23.728 -18.563 11.201 1.00 0.00 H new ATOM 0 HD12 LEU C 494 -24.893 -17.332 10.656 1.00 0.00 H new ATOM 0 HD13 LEU C 494 -25.470 -18.929 11.190 1.00 0.00 H new ATOM 0 HD21 LEU C 494 -23.245 -20.526 9.810 1.00 0.00 H new ATOM 0 HD22 LEU C 494 -24.968 -20.967 9.733 1.00 0.00 H new ATOM 0 HD23 LEU C 494 -24.042 -20.732 8.232 1.00 0.00 H new ATOM 678 N GLU C 495 -27.600 -17.819 5.806 1.00 0.00 N ATOM 679 CA GLU C 495 -28.887 -17.780 5.125 1.00 0.00 C ATOM 680 C GLU C 495 -28.731 -18.105 3.643 1.00 0.00 C ATOM 681 O GLU C 495 -29.718 -18.196 2.914 1.00 0.00 O ATOM 682 CB GLU C 495 -29.551 -16.416 5.281 1.00 0.00 C ATOM 683 CG GLU C 495 -29.868 -16.041 6.712 1.00 0.00 C ATOM 684 CD GLU C 495 -30.753 -14.824 6.797 1.00 0.00 C ATOM 685 OE1 GLU C 495 -30.238 -13.697 6.710 1.00 0.00 O ATOM 686 OE2 GLU C 495 -31.981 -14.991 6.940 1.00 0.00 O ATOM 0 H GLU C 495 -27.117 -16.922 5.851 1.00 0.00 H new ATOM 0 HA GLU C 495 -29.522 -18.535 5.589 1.00 0.00 H new ATOM 0 HB2 GLU C 495 -28.898 -15.655 4.854 1.00 0.00 H new ATOM 0 HB3 GLU C 495 -30.474 -16.405 4.701 1.00 0.00 H new ATOM 0 HG2 GLU C 495 -30.358 -16.880 7.206 1.00 0.00 H new ATOM 0 HG3 GLU C 495 -28.940 -15.852 7.251 1.00 0.00 H new ATOM 693 N GLY C 496 -27.492 -18.273 3.205 1.00 0.00 N ATOM 694 CA GLY C 496 -27.231 -18.572 1.809 1.00 0.00 C ATOM 695 C GLY C 496 -27.257 -17.329 0.946 1.00 0.00 C ATOM 696 O GLY C 496 -27.418 -17.409 -0.270 1.00 0.00 O ATOM 0 H GLY C 496 -26.660 -18.208 3.791 1.00 0.00 H new ATOM 0 HA2 GLY C 496 -26.258 -19.056 1.718 1.00 0.00 H new ATOM 0 HA3 GLY C 496 -27.975 -19.281 1.445 1.00 0.00 H new ATOM 700 N ARG C 497 -27.109 -16.179 1.584 1.00 0.00 N ATOM 701 CA ARG C 497 -27.102 -14.899 0.889 1.00 0.00 C ATOM 702 C ARG C 497 -25.847 -14.759 0.052 1.00 0.00 C ATOM 703 O ARG C 497 -25.880 -14.234 -1.059 1.00 0.00 O ATOM 704 CB ARG C 497 -27.178 -13.760 1.906 1.00 0.00 C ATOM 705 CG ARG C 497 -26.991 -12.366 1.319 1.00 0.00 C ATOM 706 CD ARG C 497 -28.092 -12.013 0.333 1.00 0.00 C ATOM 707 NE ARG C 497 -27.896 -10.682 -0.236 1.00 0.00 N ATOM 708 CZ ARG C 497 -28.705 -9.640 -0.024 1.00 0.00 C ATOM 709 NH1 ARG C 497 -29.787 -9.771 0.740 1.00 0.00 N ATOM 710 NH2 ARG C 497 -28.435 -8.467 -0.576 1.00 0.00 N ATOM 0 H ARG C 497 -26.991 -16.105 2.594 1.00 0.00 H new ATOM 0 HA ARG C 497 -27.968 -14.853 0.229 1.00 0.00 H new ATOM 0 HB2 ARG C 497 -28.146 -13.802 2.406 1.00 0.00 H new ATOM 0 HB3 ARG C 497 -26.418 -13.922 2.670 1.00 0.00 H new ATOM 0 HG2 ARG C 497 -26.976 -11.632 2.125 1.00 0.00 H new ATOM 0 HG3 ARG C 497 -26.024 -12.310 0.819 1.00 0.00 H new ATOM 0 HD2 ARG C 497 -28.115 -12.752 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG C 497 -29.059 -12.056 0.835 1.00 0.00 H new ATOM 0 HE ARG C 497 -27.085 -10.538 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG C 497 -30.003 -10.671 1.168 1.00 0.00 H new ATOM 0 HH12 ARG C 497 -30.400 -8.971 0.897 1.00 0.00 H new ATOM 0 HH21 ARG C 497 -27.609 -8.358 -1.164 1.00 0.00 H new ATOM 0 HH22 ARG C 497 -29.053 -7.672 -0.413 1.00 0.00 H new ATOM 724 N ILE C 498 -24.746 -15.233 0.592 1.00 0.00 N ATOM 725 CA ILE C 498 -23.476 -15.149 -0.080 1.00 0.00 C ATOM 726 C ILE C 498 -22.991 -16.532 -0.467 1.00 0.00 C ATOM 727 O ILE C 498 -22.461 -17.282 0.360 1.00 0.00 O ATOM 728 CB ILE C 498 -22.426 -14.427 0.797 1.00 0.00 C ATOM 729 CG1 ILE C 498 -22.877 -12.987 1.051 1.00 0.00 C ATOM 730 CG2 ILE C 498 -21.054 -14.450 0.131 1.00 0.00 C ATOM 731 CD1 ILE C 498 -22.046 -12.250 2.067 1.00 0.00 C ATOM 0 H ILE C 498 -24.709 -15.685 1.506 1.00 0.00 H new ATOM 0 HA ILE C 498 -23.612 -14.561 -0.988 1.00 0.00 H new ATOM 0 HB ILE C 498 -22.342 -14.949 1.750 1.00 0.00 H new ATOM 0 HG12 ILE C 498 -22.850 -12.438 0.109 1.00 0.00 H new ATOM 0 HG13 ILE C 498 -23.915 -12.997 1.385 1.00 0.00 H new ATOM 0 HG21 ILE C 498 -20.332 -13.936 0.766 1.00 0.00 H new ATOM 0 HG22 ILE C 498 -20.738 -15.483 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE C 498 -21.110 -13.947 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE C 498 -22.432 -11.238 2.188 1.00 0.00 H new ATOM 0 HD12 ILE C 498 -22.092 -12.772 3.023 1.00 0.00 H new ATOM 0 HD13 ILE C 498 -21.011 -12.205 1.727 1.00 0.00 H new